diff options
Diffstat (limited to '10-fold-crossvalidations/tensorflow/pred_ext.sorted.csv')
| -rw-r--r-- | 10-fold-crossvalidations/tensorflow/pred_ext.sorted.csv | 8081 |
1 files changed, 0 insertions, 8081 deletions
diff --git a/10-fold-crossvalidations/tensorflow/pred_ext.sorted.csv b/10-fold-crossvalidations/tensorflow/pred_ext.sorted.csv deleted file mode 100644 index bc89521..0000000 --- a/10-fold-crossvalidations/tensorflow/pred_ext.sorted.csv +++ /dev/null @@ -1,8081 +0,0 @@ -name,pred -Br/C=C(/c1ccc(cc1Cl)Cl)\OP(=O)(OC)OC,0.41982150077819824 -Br/C(=C\c1ccccc1)/[N+](=O)[O-],0.6165615916252136 -BrC(=C)C(=O)C,0.3799009025096893 -Br/C=C(\c1ccc(cc1Cl)Cl)/OP(=O)(OC)OC,0.4255242347717285 -Br/C=C/c1cn([C@H]2C[C@@H]([C@H](O2)CO)O)c(=O)[nH]c1=O,0.5407487154006958 -BrC(=C)C(=O)O,0.2257911711931229 -BrC(C(Br)(C)C)COP(=O)(OCC(C(Br)(C)C)Br)OCC(C(Br)(C)C)Br,0.5240307450294495 -BrC(=C)C=O,0.4749101102352142 -BrC(C(Br)(Br)Br)Br,0.3626653850078583 -BrC(C(C)(C)C)C(=O)Nc1ccccc1,0.4202130436897278 -BrC(C(Br)C)COP(=O)(OCC(C(Br)C)Br)OCC(C(Br)C)Br,0.5578986406326294 -BrC(C1=C(Br)C(=O)OC1)Br,0.49554643034935 -BrC(C(=O)O)Br,0.4070326685905457 -BrC(C1=C(Cl)C(=O)OC1)Br,0.4953342974185944 -BrC(C(Br)Br)Br,0.4343126714229584 -BrC(C1=C(Cl)C(=O)OC1O)Br,0.5395759344100952 -BrC(C=O)CBr,0.5780834555625916 -BrC(C1=C(Br)C(=O)OC1O)Br,0.4549444615840912 -BrC1=C(Br)C(=O)OC1,0.4512193202972412 -BrC(c1ccccc1)C(=O)NCc1ccccc1,0.49810990691185 -BrC1C(Cl)C(Br)C(C(C1Br)Br)Br,0.4884966015815735 -BrC/C=C\CBr,0.6261481046676636 -BrCC(=O)NCc1ccccc1,0.5414897799491882 -BrCC(=O)Nc1ccc(cc1)C,0.4121758937835693 -BrCC(=O)N(Cc1ccccc1)C,0.5646722912788391 -BrC1COC(C1)(Cn1cncn1)c1ccc(cc1Cl)Cl,0.415290892124176 -BrCC(=C)Br,0.5004116296768188 -BrCC(=O)Nc1ccccc1,0.5204874277114868 -BrCC(=O)c1ccccc1,0.6036882996559143 -BrCC(=O)c1oc(c(c1Cl)Cl)[N+](=O)[O-],0.5564507246017456 -BrCC(Br)(Br)Br,0.4969038367271423 -BrCC(=O)c1cccc(c1)OC,0.6059439182281494 -BrCC(CBr)Br,0.3896869122982025 -BrCC(=O)c1ccc(cc1)Br,0.5893920660018921 -BrCC(CBr)Cl,0.4979989528656006 -BrCC(C(OP(=O)(OC(C(CBr)Br)C)OC(C(CBr)Br)C)C)Br,0.418889582157135 -BrCC(C)(C)C,0.4304985105991364 -BrCC(=O)c1ccc(cc1)c1ccccc1,0.7093731164932251 -BrCC1=C(Br)C(=O)OC1,0.5260109305381775 -BrCC(CCOP(=O)(OCCC(CBr)Br)OCCC(CBr)Br)Br,0.4555688500404358 -BrCC(COP(=O)(OCC(CBr)Br)O)Br,0.4249857068061829 -BrCC(c1ccccc1)Br,0.5722375512123108 -BrCC1=C(Br)C(=O)OC1O,0.4896326065063477 -BrCC(COP(=O)(OCC(CBr)(Br)C)OCC(CBr)(Br)C)(Br)C,0.5039493441581726 -BrCC(=O)c1oc(c(c1c1ccccc1)c1ccccc1)[N+](=O)[O-],0.5442265868186951 -BrCC1=C(Cl)C(=O)OC1,0.5031145811080933 -BrCC=C,0.42098990082740784 -BrCCC(=O)N1CCN(CC1)C(=O)CCBr,0.4497164189815521 -BrCCBr,0.4216757714748383 -BrCCC(CCBr)(CO)CO,0.5824704170227051 -BrCC1CN(C)C2C(C1)c1cccc3c1c(C2)c[nH]3,0.7302907705307007 -BrCCCCCCCC(=O)O,0.3625459372997284 -BrCCCCBr,0.4805404543876648 -BrCCOC(=O)C(C(C(=O)OCCBr)O)O,0.5710763931274414 -BrCCC(Br)Br,0.3479369282722473 -BrCCCBr,0.3935489058494568 -BrCCOC(=O)C(CC(=O)OCCBr)(CC(=O)OCCBr)O,0.4423738121986389 -BrCCOC(=O)CC(C(=O)OCCBr)O,0.5860627889633179 -BrCCSC[C@@H](C(=O)OC)NC(=O)C,0.3725298345088959 -BrCCOC(=O)C=C,0.4836710393428802 -BrCCSCC(C(=O)OC)NC(=O)C,0.4674347341060638 -BrC[C@H](Br)C,0.3661017417907715 -BrCCCCCBr,0.4867235720157623 -BrCCOC(=O)C(=O)OCCBr,0.5899656414985657 -BrC[C@H](COP(=O)(OC[C@@H](CBr)Br)OC[C@@H](CBr)Br)Br,0.40199875831604 -BrC[C@H]1CO1,0.5587060451507568 -BrC[C@H](c1ccccc1)Br,0.5219399333000183 -BrC[C@H]([C@@H]1CC[C@H]([C@H](C1)Br)Br)Br,0.5194529294967651 -BrC[C@H]([C@H](O[P@](=O)(O[C@@H]([C@@H](CBr)Br)C)O[C@@H]([C@@H](CBr)Br)C)C)Br,0.4037558436393738 -BrC[C@H](CO[P@@](=O)(OC[C@@H](CBr)Br)O)Br,0.3838943541049957 -BrC[C@H]([C@H]([C@@H]([C@@H](CBr)O)O)O)O,0.5930858850479126 -BrC[C@H]([C@@H]([C@@H]([C@H](CBr)O)O)O)O,0.5475658774375916 -BrC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3,0.7302907705307007 -BrCc1c2ccc3c(c2cc2c1cccc2)cccc3,0.6880747079849243 -BrCc1c2ccccc2c(c2c1c1ccccc1cc2)C,0.6430226564407349 -BrCc1c2ccccc2cc2c1cccc2,0.6866403818130493 -BrCc1c2ccc3c(c2c(c2c1cccc2)C)cccc3,0.5630525946617126 -BrCc1cc(=O)oc2c1ccc(c2)OC(=O)C,0.5245278477668762 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-Br[C@@H]1CC[C@H](Br)[C@H](Br)CC[C@H]([C@H](CC[C@H]1Br)Br)Br,0.4578100740909576 -Br[C@H]([C@H](Br)C)CO[P@](=O)(OC[C@@H]([C@H](Br)C)Br)OC[C@@H]([C@H](Br)C)Br,0.5028085708618164 -Brc1c(Br)c(Br)c(c(c1Br)Br)Br,0.3424088060855865 -Br[C@H]1[C@H](Cl)[C@H](Br)[C@@H]([C@H]([C@H]1Br)Br)Br,0.3980680406093597 -Brc1c(Oc2c(Br)c(Br)c(c(c2Br)Br)Br)c(Br)c(c(c1Br)Br)Br,0.2501388192176819 -Brc1c(Oc2ccccc2)c(Br)c(c(c1Br)Br)Br,0.4337699413299561 -Brc1c(C)c(Br)c(c(c1Br)Br)Br,0.3444443047046661 -Brc1cc(Br)c(c(c1)Br)O,0.4497326910495758 -Brc1c(O)c(Br)c(c(c1Br)Br)Br,0.3558041751384735 -Brc1c2ccc3c(c2cc2c1cccc2)cccc3,0.6092429161071777 -Brc1cc(Br)c(c(c1)c1cc(Br)cc(c1O)Br)OP(=O)(O)O,0.3650378882884979 -Brc1cc(Br)cc(c1OCCOc1c(Br)cc(cc1Br)Br)Br,0.4914247393608093 -Brc1cc(Br)cc(c1c1c(Br)cc(cc1Br)Br)Br,0.3678812980651856 -Brc1cc(Br)c(c2c1C(=O)c1ccccc1C2=O)N,0.5381268858909607 -Brc1ccc(cc1)/C=C/C(=O)c1ccccc1,0.4576735496520996 -Brc1cc2cccnc2c(c1)C(=O)O,0.3114548325538635 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-COc1cc(c(c(c1)C(C)(C)C)O)C(c1ncc(n1C)[N+](=O)[O-])O,0.3828672766685486 -COc1cc(c(c(c1)c1cc(OC)cc(c1O)C(C)(C)C)O)C(C)(C)C,0.43989261984825134 -COc1cc(cc(c1O)OC)C(=O)C,0.4910198152065277 -COc1cc(c(cc1/N=N/c1c(O)ccc2c1ccc(c2)S(=O)(=O)O)C)S(=O)(=O)O.[Na+].[Na+],0.5583425760269165 -COc1cc(c(cc1N=Nc1c(O)ccc2c1ccc(c2)S(=O)(=O)O)C)S(=O)(=O)O,0.5187069177627563 -COc1cc(cc(c1OC)OC)C(=O)OCCCN1CCCN(CC1)CCCOC(=O)c1cc(OC)c(c(c1)OC)OC,0.3572792708873749 -COc1cc(cc(c1OC)OC)C1C2C(=O)OCC2C(c2c1cc1OCOc1c2)O,0.499079704284668 -COc1cc(cc(c1OC)OC)C1OCC2C1COC2c1cc(OC)c(c(c1)OC)OC,0.4522501826286316 -COc1cc(cc(c1OC)OC)[C@@H]1[C@H]2C(=O)OC[C@@H]2[C@H](c2c1cc1OCOc1c2)O,0.4994196891784668 -COc1cc(ccc1N)[N+](=O)[O-],0.7296264171600342 -COc1cc(ccc1N)c1ccc(c(c1)OC)N,0.6483961939811707 -COc1cc(ccc1N)c1ccc(c(c1)OC)N.Cl.Cl,0.6292946934700012 -COc1cc(ccc1N=N[C@@H](C(=O)Nc1ccccc1OC)C(=O)C)[N+](=O)[O-],0.6303130388259888 -COc1cc(cc(c1O)OC)C1C2C(=O)OCC2C(c2c1cc1OCOc1c2)OC1OC2COC(OC2C(C1O)O)C,0.5035800337791443 -COc1cc(ccc1NC(=O)C)NC(=O)C,0.4501113295555115 -COc1cc(ccc1/N=N/c1c(O)c2ccc(cc2cc1S(=O)(=O)O)N)c1ccc(c(c1)OC)/N=N/c1cc(c2c(c1O)cccc2)S(=O)(=O)O,0.5553594827651978 -COc1cc(ccc1/N=N/c1cc(c2c(c1O)cccc2)S(=O)(=O)O)c1ccc(c(c1)OC)/N=N/c1cc(c2c(c1O)cccc2)S(=O)(=O)O,0.4802718162536621 -COc1cc(ccc1NC(=O)C)[N+](=O)[O-],0.5425527095794678 -COc1cc(cc(c1O)OC)[C@@H]1[C@H]2C(=O)OC[C@@H]2[C@@H](c2c1cc1OCOc1c2)O[C@@H]1O[C@@H]2CO[C@H](O[C@H]2[C@@H]([C@H]1O)O)C,0.532963752746582 -COc1cc(ccc1O)C(=O)C,0.4478289484977722 -COc1cc(ccc1O)CC1CO1,0.4694940447807312 -COc1cc(ccc1O)C[C@H]1CO1,0.4848429262638092 -COc1cc(ccc1Nc1c2ccccc2nc2c1cccc2)NS(=O)(=O)C,0.7369914054870605 -COc1cc(ccc1O)c1oc2cc(O)cc(c2c(=O)c1O)O,0.4652287364006042 -COc1cc(ccc1OC)/C(=C/C(=O)N1CCOCC1)/c1ccc(cc1)Cl,0.3763049244880676 -COc1cc(ccc1OC)CC1CO1,0.3927786350250244 -COc1cc(ccc1OC)C[C@H]1CO1,0.4900724291801453 -COc1cc(ccc1O)c1nc(c([nH]1)c1ccccc1)c1ccccc1,0.37510910630226135 -COc1cc(ccc1OC)Cc1cnc(nc1N)N,0.4700182378292084 -COc1cc(ccc1N=Nc1c(O)c2ccc(cc2cc1S(=O)(=O)O)N)c1ccc(c(c1)OC)N=Nc1cc(c2c(c1O)cccc2)S(=O)(=O)O,0.618454098701477 -COc1cc(ccc1N=Nc1cc(c2c(c1O)cccc2)S(=O)(=O)O)c1ccc(c(c1)OC)N=Nc1cc(c2c(c1O)cccc2)S(=O)(=O)O,0.4648090898990631 -COc1cc(ccc1OC)c1nc(c([nH]1)c1ccccc1)c1ccccc1,0.3843159079551697 -COc1cc2-c3c(O)c(OC)cc4c3C(Cc2cc1O)[N+](C)(C)CC4,0.3521111607551575 -COc1cc2C(=O)CCc2c2c1c1ccccc1cc2C,0.5970104336738586 -COc1cc2C(=O)CCc2c2c1c1ccccc1cc2,0.5943815112113953 -COc1cc2-c3c4OCOc4cc4c3C(Cc2cc1OC)N(C)CC4,0.5869620442390442 -COc1cc2-c3c4OCOc4cc4c3[C@@H](Cc2cc1OC)N(C)CC4,0.5737431049346924 -COc1cc2C(=O)c3cc(C)cc(c3C(=O)c2c(c1O)O)O,0.5117114782333374 -COc1cc2Cc3cc(C)cc(c3C(=O)c2c(c1)O)O,0.4439330995082855 -COc1cc(ccc1/N=N/c1ccc2c(c1O)c(N)c(cc2S(=O)(=O)O)S(=O)(=O)O)c1ccc(c(c1)OC)/N=N/c1ccc2c(c1O)c(N)c(cc2S(=O)(=O)O)S(=O)(=O)O,0.5234872698783875 -COc1cc2CCN(C3c2c(-c2cc4OCOc4cc2C3)c1O)C,0.5087003707885742 -COc1cc2OC3C(c2c2c1c(=O)c1c(o2)cccc1O)CCO3,0.5145837068557739 -COc1cc2OC3C(c2c2c1c1C(O)CC(=O)c1c(=O)o2)C=CO3,0.4923843443393707 -COc1cc2OC3C(c2c2c1c1CCC(=O)c1c(=O)o2)C1C(O3)O1,0.5125918388366699 -COc1cc2OC3C(c2c2c1c1CCC(=O)c1c(=O)o2)(O)C=CO3,0.526118278503418 -COc1cc2OC3(C(c2c2c1c1CCC(=O)c1c(=O)o2)(C)C1C(O3)O1)C,0.5594651103019714 -COc1cc2OC3C(c2c2c1c1CCC(=O)c1c(=O)o2)CCO3,0.4858271479606629 -COc1cc2OC3C(c2c2c1c1CCOC(=O)c1c(=O)o2)C=CO3,0.4722980856895447 -COc1cc2OC3C(c2c2c1c1CCOC(=O)c1c(=O)o2)CCO3,0.4228072762489319 -COc1cc2O[C@@H]3[C@H](c2c2c1c1CCC(=O)c1c(=O)o2)CCO3,0.4915292263031006 -COc1cc2O[C@@H]3[C@H](c2c2c1c1CC[C@@H](c1c(=O)o2)O)C=CO3,0.511904239654541 -COc1cc2O[C@@H]3[C@@](c2c2c1c1CCC(=O)c1c(=O)o2)(O)C=CO3,0.5759695768356323 -COc1cc2O[C@@H]3[C@H](c2c2c1c1CCC(=O)c1c(=O)o2)C=CO3,0.4801120162010193 -COc1cc2O[C@@H]3[C@@H](c2c2c1c1CCC(=O)c1c(=O)o2)[C@@H]1[C@H](O3)O1,0.5016192197799683 -COc1cc2O[C@H]3[C@H](c2c2c1c(=O)c1c(o2)cccc1O)CCO3,0.457747608423233 -COc1cc2O[C@@H]3[C@H](c2c2c1c1[C@@H](Cl)[C@H](C(=O)c1c(=O)o2)Cl)C=CO3,0.5842905640602112 -COc1cc2O[C@H]3[C@H](c2c2c1c(=O)c1c(o2)cccc1O)C=CO3,0.5247114896774292 -COc1cc2O[C@@H]3[C@H](c2c2c1c1[C@@H](O)C[C@@H](c1c(=O)o2)O)C=CO3,0.5173105001449585 -COc1cc2c(CCNC(=O)C)c[nH]c2cc1O,0.5018355846405029 -COc1cc2O[C@@H]3[C@H](c2c2c1c1[C@@H](O)CC(=O)c1c(=O)o2)C=CO3,0.5284722447395325 -COc1cc2O[C@H]3[C@H](c2c2c1c1CCOC(=O)c1c(=O)o2)C=CO3,0.4536726474761963 -COc1cc2O[C@H]3[C@H](c2c2c1c1CCOC(=O)c1c(=O)o2)CCO3,0.40893206000328064 -COc1cc2c(cc1OC)OC[C@@H]1[C@H]2C(=O)c2c(O1)c1C[C@@H](Oc1cc2)C(=C)C,0.478882372379303 -COc1cc2c(cc1OC)OC[C@H]1[C@H]2C(=O)c2c(O1)c1C[C@H](Oc1cc2)C(=C)C,0.5028411746025085 -COc1cc(cc(c1O)OC)[C@H]1[C@@H]2C(=O)OC[C@@H]2[C@@H](c2c1cc1OCOc1c2)O[C@@H]1O[C@@H]2CO[C@H](O[C@H]2[C@@H]([C@@H]1O)O)c1cccs1,0.5056395530700684 -COc1cc2c(cc1OC)N1[C@@H]3[C@@]42CCN2[C@H]4C[C@@H]4[C@H]3[C@H](CC1=O)OCC=C4C2,0.5332133173942566 -COc1cc2c(cc1OC)nc1c(c2OC)cco1,0.549751877784729 -COc1cc2c(cc1OC)nc1c(c2O)cccc1,0.6246949434280396 -COc1cc2cccnc2c(c1)[N+](=O)[O-],0.6554805636405945 -COc1cc2nc3cc(N)c(cc3nc2cc1N)OC,0.815449059009552 -COc1cc2c(cc1OC)N1[C@@H]3[C@@]42CCN2[C@@H]4C[C@H]4[C@H]3[C@@H](CC1=O)OCC=C4C2,0.5636422038078308 -COc1cc2c3CCC(=O)c3cc(c2c2c1cccc2)C,0.6382273435592651 -COc1cc2nc3cc(N)ccc3nc2cc1N,0.8204968571662903 -COc1cc2oc(c3ccc(cc3)O)c(c(=O)c2cc1OC)O,0.4763737618923187 -COc1ccc(c(c1)/N=N/c1c(O)ccc2c1cccc2)OC,0.6266587376594543 -COc1ccc(c(c1)C)N,0.5969082713127136 -COc1ccc(c(c1)C(C)(C)C)O,0.3437626361846924 -COc1ccc(c(c1)OC)N,0.6217145919799805 -COc1ccc(c(c1)O)C(=O)c1ccccc1O,0.3934946060180664 -COc1ccc(c(c1)O)C(=O)c1ccccc1,0.5451818704605103 -COc1ccc(c(c1)OC)N.Cl,0.5727623701095581 -COc1ccc(c(c1)N=Nc1c(O)ccc2c1cccc2)OC,0.5454930067062378 -COc1ccc(c2c1C(=O)c1ccccc1C2=O)N,0.5951633453369141 -COc1ccc(c2c1nc1ccccc1c2NCCCN(C)C)[N+](=O)[O-],0.8258506059646606 -COc1ccc(c2c1oc1c3c(O[C@H]4[C@H]3C=CO4)cc(c1c2=O)OC)O,0.4777423739433289 -COc1ccc(cc1)/C(=C\C(=O)O)/Br,0.387163519859314 -COc1ccc(cc1)/C(=C\C(=O)O)/Br.[Na+],0.3835200667381287 -COc1ccc(cc1)/C=C/c1ccc(cc1)N,0.6168608665466309 -COc1ccc(cc1)/C=C/C(=O)c1ccccc1,0.4982385039329529 -COc1ccc(c2c1oc1c3c(OC4C3CCO4)cc(c1c2=O)OC)O,0.548902153968811 -COc1ccc(c2c1oc1c3c(O[C@H]4[C@H]3CCO4)cc(c1c2=O)OC)O,0.5833706259727478 -COc1ccc(cc1)/C=C/c1ccc(cc1)[N+](=O)[O-],0.5851645469665527 -COc1ccc(cc1)/N=[N+](/c1ccc(cc1)OC)\[O-],0.5417557954788208 -COc1ccc(cc1)C(=C(C#N)CCC(=O)O)c1ccc(cc1)OC,0.21202965080738068 -COc1ccc(cc1)/C=N/n1nnc2c(c1=O)[nH]c1c2cccc1,0.6409438252449036 -COc1ccc(cc1)/C=N/n1nnc2-c(c1O)nc1c2cccc1,0.5313067436218262 -COc1ccc(cc1)C(=O)/C=C/c1ccccc1,0.5138859748840332 -COc1ccc(cc1)C(=O)C1OC1c1ccccc1,0.4317227303981781 -COc1ccc(cc1)C(=C(c1ccc(cc1)OC)Cl)c1ccc(cc1)OC,0.5039326548576355 -COc1ccc(cc1)C(=O)n1ncc(c(c1=O)Cl)Cl,0.5038077235221863 -COc1ccc(cc1)C(C=C)O,0.3501227796077728 -COc1ccc(cc1)C(C(Cl)(Cl)Cl)c1ccc(cc1)OC,0.2487838715314865 -COc1ccc(cc1)C=C,0.4705736041069031 -COc1ccc(cc1)C1OC1C,0.5000815391540527 -COc1ccc(cc1)C(=O)ON(C(=O)c1ccccc1)OCc1ccccc1,0.4212234914302826 -COc1ccc(cc1)CC1OC1,0.5511326789855957 -COc1ccc(cc1)C=O,0.5581291913986206 -COc1ccc(cc1)CC=C,0.3950992822647095 -COc1ccc(cc1)CN(N=O)C,0.7099603414535522 -COc1ccc(cc1)CC[C@@H]1OC1,0.4828356802463532 -COc1ccc(cc1)CCC1OC1,0.43035149574279785 -COc1ccc(cc1)CN(c1ccccn1)CCN(C)C,0.3535946309566498 -COc1ccc(cc1)CN(c1ncccn1)CCN(C)C,0.2864814102649689 -COc1ccc(cc1)CN(c1ccccn1)CC[N+](C)(C)[O-],0.3260803818702698 -COc1ccc(cc1)CN(c1ncccn1)CCN(C)C.Cl,0.3210495412349701 -COc1ccc(cc1)CNC(=O)C(Br)C,0.5139738917350769 -COc1ccc(cc1)C[C@@H]1OC1,0.5780535936355591 -COc1ccc(cc1)CNC(=O)[C@H](Br)C,0.4971286356449127 -COc1ccc(cc1)CON(C(=O)c1ccccc1)OC(=O)C,0.4357295036315918 -COc1ccc(cc1)N.Cl,0.6188222765922546 -COc1ccc(cc1)N,0.5810953974723816 -COc1ccc(cc1)CN1C2C1c1ccccc1-c1c2cccc1,0.4924280047416687 -COc1ccc(cc1)N=O,0.6520633101463318 -COc1ccc(cc1)N=[N+](c1ccc(cc1)OC)[O-],0.5697048902511597 -COc1ccc(cc1)NC(=O)c1csc(c1)[N+](=O)[O-],0.5402992367744446 -COc1ccc(cc1)N=Nc1ccc(cc1)N(C)C,0.6151918172836304 -COc1ccc(cc1)OC,0.5383096933364868 -COc1ccc(cc1)O,0.5071285367012024 -COc1ccc(cc1)Nc1ccc(cc1)OC,0.726432204246521 -COc1ccc(cc1)[N+](=O)[O-],0.6073004603385925 -COc1ccc(cc1)Nc1c2ccccc2nc2c1cccc2,0.7860409617424011 -COc1ccc(cc1)S(=O)(=O)n1ncc(c(c1=O)Cl)Cl,0.4969190061092377 -COc1ccc(cc1)[C@H]1O[C@@H]1C(=O)c1ccccc1,0.4588959813117981 -COc1ccc(cc1)[Se]c1ccc(cc1)OC,0.4489845335483551 -COc1ccc(cc1)c1coc2c(c1=O)c(O)cc(c2)O,0.5057796239852905 -COc1ccc(cc1)c1c(onc1c1ccc(cc1)OC)CC(=O)O,0.249299094080925 -COc1ccc(cc1)c1[nH]c(nc1c1ccc(cc1)OC)c1ccc(cc1C)C,0.4469308853149414 -COc1ccc(cc1C(C)(C)C)O,0.4311800003051758 -COc1ccc(cc1)c1nc(c([nH]1)c1ccc(cc1)OC)c1ccc(cc1)OC,0.3831509053707123 -COc1ccc(cc1N)C,0.5439288020133972 -COc1ccc(cc1)c1nc(c([nH]1)c1ccccc1)c1ccccc1,0.36459651589393616 -COc1ccc(cc1/N=N/c1c(O)c(cc2c1cccc2)C(=O)Nc1cccc(c1)[N+](=O)[O-])[N+](=O)[O-],0.7007116079330444 -COc1ccc(cc1N)[N+](=O)[O-],0.7444833517074585 -COc1ccc(cc1N)NOS(=O)(=O)O,0.5757994055747986 -COc1ccc(cc1N)N,0.6224864721298218 -COc1ccc(cc1N)c1oc2ccccc2c(=O)c1N,0.5768016576766968 -COc1cc2Oc3c4c(CCN([C@H]4Cc4ccc(c(c4)Oc4ccc(C[C@H]5c2c(c1)CCN5C)cc4)OC)C)cc(c3OC)OC,0.5858131051063538 -COc1ccc(cc1OC)C(=O)N1CCN(CC1)c1ccc2c(c1)CCC(=O)N2,0.5402069687843323 -COc1ccc(cc1OC)Cc1nccc2c1cc(OC)c(c2)OC,0.5551557540893555 -COc1ccc(cc1N=Nc1c(O)c(cc2c1cccc2)C(=O)Nc1cccc(c1)[N+](=O)[O-])[N+](=O)[O-],0.7007116079330444 -COc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],0.599760890007019 -COc1ccc(cc1[O-])[N+](=O)[O-].[Na+],0.702627956867218 -COc1ccc(cc1[N+](=O)[O-])C(=O)Nc1ccccc1,0.4912169575691223 -COc1ccc(cc1[N+](=O)[O-])c1oc2ccccc2c(=O)c1[N+](=O)[O-],0.4503381848335266 -COc1ccc(cc1OC)c1[nH]c(c(n1)c1ccc(cc1)C)c1ccc(cc1)C,0.5225793719291687 -COc1ccc(ccc1=O)[N+](=O)[O-],0.7107833623886108 -COc1ccc(cn1)N=Nc1ccc(cc1)N(C)C,0.6778733134269714 -COc1ccc2-c3ccccc3C(=O)c3c2c1ccc3,0.5652559995651245 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-Cc1ccc(cc1)[N+](=O)[O-],0.741143524646759 -Cc1ccc(cc1)c1nc2c(o1)cccc2,0.5431894063949585 -Cc1ccc(cc1)c1nc2n(c1[N+](=O)[O-])CCS2,0.568916916847229 -Cc1ccc(cc1/N=[N+](/c1cc(ccc1C)[N+](=O)[O-])\[O-])[N+](=O)[O-],0.6817725300788879 -Cc1ccc(o1)C,0.4630928039550781 -Cc1ccc(cc1N)/N=N/c1ccc(c(c1)N)C,0.5269230604171753 -Cc1ccc(cc1NCC)O,0.4906317591667175 -Cc1ccc(cc1N=Nc1cc(N)ccc1C)N,0.5958930850028992 -Cc1ccc(cc1N)N=Nc1ccc(c(c1)N)C,0.6010604500770569 -Cc1ccc2-c3c(C(c2c1)C)cc(cc3)C,0.5266033411026001 -Cc1ccc(cc1N=[N+](c1cc(ccc1C)[N+](=O)[O-])[O-])[N+](=O)[O-],0.6737796664237976 -Cc1ccc2-c3c(Cc2c1)cc(cc3)C,0.575901985168457 -Cc1ccc(o1)C=O,0.4814123213291168 -Cc1ccc2-c3c([C@H](c2c1)C)cccc3,0.5455006361007689 -Cc1ccc(cc1)c1[nH]c(nc1c1ccc(cc1)C)c1ccc(cc1C)C,0.38818320631980896 -Cc1ccc2c(c1)C(=O)c1c(C2=O)cccc1,0.6206686496734619 -Cc1ccc2c(-c3ccccc3[C@H]2C)c1,0.5882962942123413 -Cc1ccc2c(-c3ccccc3C2C)c1,0.5325461626052856 -Cc1ccc2c(c1)c(C)c1c(c2)cccc1,0.6676039695739746 -Cc1ccc2c(c1)c(C)c1c(c2C)cccc1,0.6652535796165466 -Cc1ccc2c(c1)C1C(=N2)N(C)c2c(C1C)cccc2,0.527829647064209 -Cc1ccc2c(c1)c(N)c1c(n2)cccc1,0.6379953622817993 -Cc1ccc2c(c1)C(C)C1C(=Nc3c1cccc3)N2C,0.5469702482223511 -Cc1ccc2c(c1)C1C(C)c3cc(C)ccc3N(C1=N2)C,0.4906872808933258 -Cc1ccc2c(c1)c(C)c1c(-c3ccccc3C(C1O)O)n2,0.5691231489181519 -Cc1ccc2c(c1)c(C)c1c(n2)c2ccccc2cc1,0.7063348293304443 -Cc1ccc2c(c1)c(N)sn2,0.6529229879379272 -Cc1ccc2c(c1)c(ccc2)[N+](=O)[O-],0.8050330877304077 -Cc1ccc2-c3c4c(-c2c1)cc1ccccc1c4cc1c3cccc1,0.7285000085830688 -Cc1ccc2c(c1)c1c(C)ccc(c1[nH]2)C,0.654657244682312 -Cc1ccc2c(c1)c1cc(C)ccc1cc2,0.6489130854606628 -Cc1ccc2c(c1)c1ccc3c(c1cc2)cccc3,0.7337996363639832 -Cc1ccc2c(c1)c1cc3ccccc3cc1cc2,0.7735656499862671 -Cc1ccc2c(c1)cc(cc2)[N+](=O)[O-],0.8835065960884094 -Cc1ccc2c(c1)c1ccc3c(c1cc2)ccc1c3cccc1C,0.7253247499465942 -Cc1ccc2c(c1)cc1c(c2)ccc2c1cccc2,0.7503567934036255 -Cc1ccc2c(c1)cc1c(c2)cccc1,0.6669971942901611 -Cc1ccc2c(c1)cc1c(c2)c2ccccc2cc1,0.6863870024681091 -Cc1ccc2c(c1)c1ccc3c4c1c(c2)ccc4ccc3,0.8109481930732727 -Cc1ccc2c(c1)ccc(=O)o2,0.4396682679653168 -Cc1ccc2c(c1)ccc(c2)[N+](=O)[O-],0.921911597251892 -Cc1ccc2c(c1)cc1c(n2)c2ccccc2cc1,0.5989297032356262 -Cc1ccc2c(c1)cc1-c3cccc4c3c(-c1n2)ccc4,0.7212551236152649 -Cc1ccc2c(c1)cc1c3c2ccc2c3c(cc1)ccc2,0.7119349241256714 -Cc1ccc2c(c1)cccc2,0.6907731294631958 -Cc1ccc2c(c1)ccc1c2cccc1,0.6711173057556152 -Cc1ccc2c(c1)cccc2C,0.5434174537658691 -Cc1ccc2c(c1)cccn2,0.4661219716072082 -Cc1ccc2c(c1)ccc1c2ccc2c1cccc2,0.6957818269729614 -Cc1ccc2c(c1)ccc1c2cc2ccccc2c1,0.7057470083236694 -Cc1ccc2c(c1)cccc2[N+](=O)[O-],0.8875734210014343 -Cc1ccc2c(c1)nc(n2C)N,0.6027092933654785 -Cc1ccc2c(c1)nc([nH]2)N,0.5834876298904419 -Cc1ccc2c(c1)ccc1c2c2c([nH]1)ccc1c2cccc1,0.6841025352478027 -Cc1ccc2c(c1)nccc2,0.6078330278396606 -Cc1ccc2c(c1)nn[nH]2,0.6553289890289307 -Cc1ccc2c(c1C)c1ccccc1cc2,0.7410109639167786 -Cc1ccc2c(n1)cccc2,0.4815255999565125 -Cc1ccc2c(c1C)cccc2,0.6274672150611877 -Cc1ccc2c(c1)nc1c(c2)ccc2c1cccc2,0.6454826593399048 -Cc1ccc2c(c1)nc1c(c2C)ccc2c1cccc2,0.7120811343193054 -Cc1ccc2c(c1O)NC(O)C1N(C2=O)C=C(C1)/C=C/C(=O)N,0.5208374857902527 -Cc1ccc2c(c1)nc1-c3ccccc3C(C(c1c2C)O)O,0.5960004925727844 -Cc1ccc2c(c1Nc1ccccc1)C(=O)c1c(C2=O)cccc1,0.6681805849075317 -Cc1ccc2c3c1ccc1c3c(C2)ccc1,0.7765301465988159 -Cc1ccc2c3c1CCc3c1c(-c3ccccc3[C@H]3[C@@H]1O3)c2,0.7346976399421692 -Cc1ccc2c3c1CCc3c1c(c2)c2ccccc2cc1,0.7557978630065918 -Cc1ccc2c3c1ccc1c3c(c2=O)ccc1,0.6831573247909546 -Cc1cccc(c1)/N=N/c1ccc(cc1)N(C)C,0.6146817207336426 -Cc1ccc2c3c1CC(c3c1c(c2)c2ccccc2cc1)OS(=O)(=O)O,0.6628125905990601 -Cc1ccc2c3c1CCc3c1c(-c3ccccc3C3C1O3)c2,0.7798031568527222 -Cc1ccc2c3c1CCc3c1c(-c3ccccc3C3C1N3)c2,0.8545687794685364 -Cc1ccc2c3c1ccc1c3c(cc2)c2c(c1)cccc2,0.763990581035614 -Cc1ccc2c3c1ccc1c3c(cc2)ccc1,0.786434531211853 -Cc1ccc2c3c1CCc3c1c(-c3ccccc3[C@H]3[C@@H]1N3)c2,0.8141894340515137 -Cc1cccc(c1)Br,0.2923080027103424 -Cc1cccc(c1)C(=O)Cl,0.4247021675109863 -Cc1ccc2c3c1ccc1c3c(cc2)cc2c1cccc2,0.8037115931510925 -Cc1cccc(c1)C(=O)O,0.3634631037712097 -Cc1cccc(c1)C,0.36255797743797297 -Cc1cccc(c1)N.Cl,0.4412572979927063 -Cc1cccc(c1)N=Nc1ccc(cc1)N(C)C,0.6747692823410034 -Cc1cccc(c1)O,0.3615859746932984 -Cc1cccc(c1)[N+](=O)[O-],0.6179738044738771 -Cc1cccc(c1)N,0.4894240498542786 -Cc1cccc(c1)c1nc2c(o1)cccc2,0.4118780195713043 -Cc1cccc(c1)NS(=O)(=O)c1cccc2c1nccc2,0.37602466344833374 -Cc1cccc(c1)NC(=O)c1csc(c1)[N+](=O)[O-],0.5659710168838501 -Cc1cccc(c1N)C,0.5988351702690125 -Cc1cccc(c1)OP(=O)(Oc1cccc(c1)C)Oc1cccc(c1)C,0.5335147976875305 -Cc1cccc(c1O)C,0.4523269534111023 -Cc1cccc2-c3c([C@H](c12)C)cccc3,0.5055386424064636 -Cc1cccc2-c3c(C(c12)C)cccc3,0.5082186460494995 -Cc1cccc(c1N=Nc1c(O)ccc2c1cccc2)C,0.636038064956665 -Cc1cccc2c1-c1ccccc1[C@@H]2C,0.5773298144340515 -Cc1cccc2c1-c1ccccc1C2C,0.5418787002563477 -Cc1cccc2c1c1ccc3c(c1cc2)cccc3,0.7192349433898926 -Cc1cccc2c1c1cc3ccccc3cc1cc2,0.7209503054618835 -Cc1cccc2c1-c1cc3ccccc3cc1C1C2N1,0.7748826146125793 -Cc1cccc2c1N(C)C1=Nc3c(C1C2C)cccc3,0.4381192326545715 -Cc1cccc2c1cc1ccc3c(c1c2)cccc3,0.7581011056900024 -Cc1cccc2c1-c1cc3ccccc3cc1C1C2O1,0.7359634041786194 -Cc1cccc2c1cc1ccccc1c2,0.7882119417190552 -Cc1cccc2c1cc1c(c2)ccc2c1cccc2,0.7346426844596863 -Cc1cccc2c1cc1ccc3c(c1n2)cccc3,0.7023099660873413 -Cc1cccc2c1ccc1c2cc2c(c1)cccc2,0.749430775642395 -Cc1cccc2c1c1ccc3c4c1c(c2)ccc4ccc3,0.7645431160926819 -Cc1cccc2c1cccc2,0.6226439476013184 -Cc1cccc2c1ccc1c2cccc1,0.7220616936683655 -Cc1cccc2c1cccn2,0.616085410118103 -Cc1cccc2c1cc1ccc3c4c1c2ccc4ccc3,0.7584546804428101 -Cc1ccccc1,0.3863494992256165 -Cc1cccc2c1nn[nH]2,0.8197644948959351 -Cc1cccc2c1nccc2,0.5236756205558777 -Cc1cccc2c1ccc1c2ccc2c1cccc2,0.7847495675086975 -Cc1ccccc1/N=N/c1c(O)ccc2c1cccc2,0.6078465580940247 -Cc1ccccc1/N=N/c1ccc(c(c1N)C)N,0.6057978868484497 -Cc1ccccc1/N=N/c1ccc(cc1)N(C)C,0.67469322681427 -Cc1ccccc1Br,0.4113246500492096 -Cc1ccccc1Cl,0.3838015496730805 -Cc1cccc2c1nc1c(c2)ccc2c1cccc2,0.7116634845733643 -Cc1ccccc1C,0.34533876180648804 -Cc1ccccc1C.Cc1cccc(c1)C.Cc1ccc(cc1)C,0.31442949175834656 -Cc1ccccc1N,0.5140429735183716 -Cc1ccccc1N.Cl,0.5607154369354248 -Cc1ccccc1O,0.3725167512893677 -Cc1ccccc1O.Cc1cccc(c1)O.Cc1ccc(cc1)O,0.44817915558815 -Cc1ccccc1OC[C@H]1CO1,0.5021441578865051 -Cc1ccccc1N=Nc1ccc(cc1)N(C)C,0.7143720388412476 -Cc1ccccc1NS(=O)(=O)c1cccc2c1nccc2,0.4110476970672608 -Cc1ccccc1N=Nc1ccc(c(c1N)C)N,0.550690770149231 -Cc1ccccc1N=Nc1c(O)ccc2c1cccc2,0.6064717769622803 -Cc1ccccc1S(=O)(=O)N,0.5694800019264221 -Cc1ccccc1c1c(N)[nH]n(c1=O)C(C)C,0.4999853074550629 -Cc1ccccc1c1nc2c(o1)cccc2,0.5793283581733704 -Cc1ccccc1c1ccccc1,0.5540163516998291 -Cc1ccccn1,0.37736934423446655 -Cc1ccncc1,0.4654307365417481 -Cc1cccs1,0.458278477191925 -Cc1ccco1,0.43360596895217896 -Cc1ccnc2c1cccc2,0.68030846118927 -Cc1cn(CC(CN=N#N)O)c(=O)[nH]c1=O,0.458531528711319 -Cc1cccnc1,0.23344643414020536 -Cc1cn(CC(CN=N#N)O)c(=O)nc1OC,0.4301828444004059 -Cc1ccccc1OP(=O)(Oc1ccccc1C)Oc1ccccc1C,0.3070145547389984 -Cc1cnc2c(c1)cccc2,0.5215229392051697 -Cc1cnc(c(n1)C)C,0.4394726753234863 -Cc1cnc2c(c1)ccc(c2C(=O)O)Cl,0.2914486527442932 -Cc1cnc2c(n1)c(C)c1c(c2)nc(n1C)N,0.7696412801742554 -Cc1cnc2c(n1)c(C)cc1c2nc(n1C)N,0.6604427099227905 -Cc1cnc2c(n1)c(C)c(c1c2nc(n1C)N)C,0.7185373902320862 -Cc1cn2c(s1)nc(c2[N+](=O)[O-])c1ccc(cc1)[N+](=O)[O-],0.7634075284004211 -Cc1cnc2c(n1)c1nc(n(c1cc2)C)N,0.6532819271087646 -Cc1cnc2c(n1)c1ncn(c1cc2)C,0.7341517210006714 -Cc1cnc2c(n1)c1nc(n(c1cc2C)C)N,0.5867294073104858 -Cc1cnc2c(n1)c1nc(n(c1c(c2)C)C)N,0.6384323239326477 -Cc1cnc2c(n1)ccc1c2nc(n1C)N,0.6621843576431274 -Cc1cnc2c(n1)cc(c1c2nc(n1C)N)C,0.6186614036560059 -Cc1cnc2c(n1)c1nc(n(c1c(c2C)C)C)N,0.6231902837753296 -Cc1cnc2c(n1)c1nc(n(c1cc2)C)NS(=O)(=O)O,0.629693865776062 -Cc1cncc(n1)C,0.3696762919425965 -Cc1n[n+]([O-])c(c(=O)n1N)c1ccccc1,0.5789079666137695 -Cc1cnccn1,0.2203444540500641 -Cc1cscc1,0.4651612341403961 -Cc1cnc2c(n1)cccc2,0.5668758153915405 -Cc1n[nH]c(=O)[nH]c1=O,0.3875657320022583 -Cc1nc(Nc2cccc(c2)O)nc(c1)C1CC1,0.3536297082901001 -Cc1nc(N)nc(n1)N,0.2761767506599426 -Cc1nc2c(nc1C)c(C)c(c1c2nc(n1C)N)C,0.6996163129806519 -Cc1nc(Nc2ccccc2)nc(c1)C1CC1,0.3173015117645264 -Cc1nc(nc(n1)O)NC(=O)NS(=O)(=O)c1ccsc1C(=O)O,0.2362245619297028 -Cc1nc2c(nc1C)c(C)cc1c2nc(n1C)N,0.6035240888595581 -Cc1nc2c(nc1C)ccc(c2C)N,0.6835821270942688 -Cc1nc2c(s1)cccc2,0.5047465562820435 -Cc1ncc(nc1)C,0.4219272136688232 -Cc1ncc2c(n1)CCC2,0.1895673871040344 -Cc1nc(C)cc(c1)c1cc2c(cc1F)n1c(n2C2CC2)cc(=O)n(c1=O)O,0.484225332736969 -Cc1nc2c(nc1C)ccc1c2nc(n1C)N,0.6484017372131348 -Cc1nc2c(nc1C)cc(c1c2nc(n1C)N)C,0.6390672922134399 -Cc1nccc2c1[nH]c1c2cccc1.Cl,0.694915771484375 -Cc1nc(C)cc(c1)c1cc2c(cc1F)n1c(n2C2CC2)cc(=O)[nH]c1=O,0.5064722299575806 -Cc1nsc(c1)N,0.3684818744659424 -Cc1nccnc1C,0.2522768974304199 -Cc1ncc[nH]1,0.392636775970459 -Cc1nccc2c1[nH]c1c2cccc1,0.7262006998062134 -Cc1nsc(c1)N.Cl,0.5190249085426331 -Cl/C(=C(\C(F)(F)F)/Cl)/SSc1ccccc1[N+](=O)[O-],0.3088437020778656 -Cl/C(=C\[C@@H]1[C@@H](C1(C)C)C(=O)O)/C(F)(F)F,0.4272066652774811 -Cl/C(=C(\C(=C(Cl)Cl)Cl)/Cl)/SCc1ccccc1,0.25364020466804504 -Cc1nnc(c(=O)n1N)c1ccccc1,0.57502281665802 -Cc1scc(n1)c1ccc(o1)[N+](=O)[O-],0.6657189130783081 -Cl/C(=C(\C(=C(Cl)Cl)Cl)/Cl)/SSc1ccccc1[N+](=O)[O-],0.30410927534103394 -Cc1nn(c(c1/C=N/OCc1ccc(cc1)C(=O)OC(C)(C)C)Oc1ccccc1)C,0.4011216163635254 -Cl/C=C(/CSC(=O)N(C(C)C)C(C)C)\Cl,0.5054928660392761 -Cl/C=C(/SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)\Cl,0.5103311538696289 -Cl/C(=C\[C@H]1[C@H](C1(C)C)C(=O)O)/C(F)(F)F,0.4049769341945648 -Cl/C=C(/SCC(C(=O)O)NC(=O)C)\Cl,0.3972010612487793 -Cl/C=C(/C(Cl)Cl)\Cl,0.4891496598720551 -Cl/C=C(/c1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl)\Cl,0.576803982257843 -Cl/C=C(/c1cc(Cl)c(cc1Cl)Cl)\OP(=O)(OC)OC,0.5218807458877563 -Cl/C=C/CSCC(C(=O)O)N,0.4004538059234619 -Cl/C=C(\SCc1ccccc1)/Cl,0.5408303141593933 -Cl/C=C(\C(Cl)Cl)/Cl,0.5068297386169434 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-ClCCN(CCCNc1c2ccccc2nc2c1ccc1c2nccc1)CC.Cl.Cl,0.8427169919013977 -ClCCN(CCCl)CCCC(Nc1c2cc(OC)ccc2nc2c1ccc(c2)Cl)C,0.9620455503463744 -ClCCN(P(=O)(OCCC(=O)O)N)CCCl,0.6256593465805054 -ClCCN(P1(=O)OCCC(=O)N1)CCCl,0.6266649961471558 -ClCCN(P1(=O)OCC(=O)CO1)CCCl,0.7815793752670288 -ClCCN(P1(=O)OCCCN1CCCl)CCCl,0.8196441531181335 -ClCCN(CCCNc1c2ccccc2nc2c1cccc2OC)CC.Cl.Cl,0.900617778301239 -ClCCN(CCCl)CCC[C@H](Nc1c2cc(OC)ccc2nc2c1ccc(c2)Cl)C,0.8738774061203003 -ClCCN([P@](=O)(O)N)CCCl,0.6020722389221191 -ClCCN([P@@](=O)(OCCC(=O)O)N)CCCl,0.5635877251625061 -ClCCN([C@@H](COc1ccccc1)C)Cc1ccccc1,0.5429673790931702 -ClCCN([P@]1(=O)NCCCO1)CCCl,0.7112505435943604 -ClCCN([P@]1(=O)OCC[C@H](N1)O)CCCl,0.6147221326828003 -ClCCN([P@]1(=O)OCCCN1CCCl)CCCl,0.5971359014511108 -ClCCN(c1ccc(c2c1oc(c2)[N+](=O)[O-])OC)CCCl,0.8366236686706543 -ClCCN(c1ccc(c2c1cc(o2)[N+](=O)[O-])OC)CCCl,0.860899806022644 -ClCCN(c1c(OC)ccc2c1cc(o2)[N+](=O)[O-])CCCl,0.7607535123825073 -ClCCN(c1ccc(cc1)C)CCCl,0.5560610294342041 -ClCCN(c1cc(ccc1C)C(P(=O)(O)O)(P(=O)(O)O)O)CCCl,0.5559033155441284 -ClCCN(c1ccc(cc1)CCCC(=O)O)CCCl,0.3491158783435821 -ClCCN(c1ccc(cc1)C[C@@H](C(=O)O)N)CCCl,0.5638896226882935 -ClCCN(c1ccc(cc1)OCC(=O)O)CCCl,0.5020815730094911 -ClCCN(c1ccc(cc1)CCCNc1c2ccccc2nc2c1cccc2)CC,0.8444032669067383 -ClCCN(c1ccc(cc1)C[C@H](C(=O)O)N)CCCl,0.5638896226882935 -ClCCN(c1ccc(cc1)OCCCCCNc1c2ccccc2nc2c1cccc2)CC,0.7583169341087341 -ClCCN(c1ccc(cc1)CCCC(=O)O[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CCC(=O)N2)CCCl,0.4503122270107269 -ClCCN(c1ccc2c(c1)cc(o2)[N+](=O)[O-])CCCl,0.7822625041007996 -ClCCN(c1ccc2c(c1)ccc1c2cc(o1)[N+](=O)[O-])CCCl,0.8921016454696655 -ClCCN(c1ccc(cc1)CC(=O)O[C@H]1CC[C@]2([C@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CCC(=O)N2)C)C)CCCl,0.4195089936256409 -ClCCN(c1ccc(cc1)OCC(=O)O[C@H]1CC[C@]2([C@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CCC(=O)N2)C)C)CCCl,0.4134235978126526 -ClCCN(c1ccc2c(c1)cccc2)CCCl,0.9061806797981262 -ClCCN(c1ccc2c(c1)oc(c2)[N+](=O)[O-])CCCl,0.8476807475090027 -ClCCN(c1ccc(cc1)c1[nH]c2c(n1)cc(cc2)Cc1nc2c([nH]1)ccc(c2)N1CCN(CC1)C)CCCl,0.6544906497001648 -ClCCN(c1ccc(cc1)CC(=O)O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3CC[C@@H]2[C@@H](CCCC(C)C)C)C)C1)C)CCCl,0.4555242657661438 -ClCCN(c1cnc(nc1O)O)CCCl,0.468170315027237 -ClCCNC(=O)N(CCCl)N=O,0.8502348065376282 -ClCCN(c1ccc(cc1)c1[nH]c2c(n1)cc(cc2)c1nc2c([nH]1)ccc(c2)N1CCN(CC1)C)CC,0.721657395362854 -ClCCNC(=O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N,0.5322483181953429 -ClCCNC(=O)Sc1[nH]cnc2-c1ncn2,0.6177810430526733 -ClCCNC(=O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N,0.4761756956577301 -ClCCN(c1ccc(cc1)c1[nH]c2c(n1)cc(cc2)c1nc2c([nH]1)ccc(c2)N1CCN(CC1)C)CCCl,0.7176645994186401 -ClCCNCCCNc1c2ccc(cc2nc2c1nc(OC)cc2)Cl.Cl.Cl.O,0.8674432039260864 -ClCCNCCCNc1c2cc(OC)ccc2nc2c1ccc(c2)Cl,0.7438287734985352 -ClCCNCCCNc1c2ccc(cc2nc2c1nc(OC)cc2)Cl,0.8097480535507202 -ClCCNCCCNc1c2ccccc2nc2c1cccc2,0.7974690198898315 -ClCCNCCCNc1c2ccccc2nc2c1ccc1c2nccc1.Cl.Cl,0.8503206372261047 -ClCCNCCCl,0.7199258804321289 -ClCCNCCCNc1c2ccccc2nc2c1ccc1c2nccc1,0.9269529581069946 -ClCCNCCCNc1c2ccccc2nc2c1cccc2.Cl.Cl.O,0.9097463488578796 -ClCCNCCCNc1c2ccccc2nc2c1cccc2OC,0.7859702110290527 -ClCCOC(=O)C=C,0.512772262096405 -ClCCNc1ccc(cc1)C,0.5961430072784424 -ClCCNc1ccc(cc1)CCCC(=O)O,0.427931010723114 -ClCCN[P@]1(=O)OCCCN1CCCl,0.8645084500312805 -ClCCOC/C(=C\Cl)/Cl,0.6789094805717468 -ClCCOC(=O)Cl,0.3922484219074249 -ClCCOC(=O)Cc1c(C(=O)O)c2c(n1C)cccc2,0.3952093720436096 -ClCCOCCCl,0.6150016784667969 -ClCCOP(=O)(OCCCl)OCCCl,0.6822448968887329 -ClCCOC(=O)c1[n+]([O-])nnc2c1n(C)c1c2cccc1,0.7963685989379883 -ClCCP(=O)(O)O,0.4647597670555115 -ClCCOP(OCCCl)OCCCl,0.6934260129928589 -ClCCN(c1cccc(c1)/C=C/C(=O)OC1CCC2C1(C)CCC1C2CCC2=CC(=O)NCCC12C)CCCl,0.5025392770767212 -ClCCSCC(C(=O)NCC(=O)OC)NC(=O)CCC(C(=O)O)N,0.4333691000938416 -ClCCSCCCl,0.5142793655395508 -ClCCOc1ccccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(n1)OC,0.33186766505241394 -ClCCN(c1cccc(c1)/C=C/C(=O)O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3CCC(=O)N2)C)C1)C)CCCl,0.5988802313804626 -ClCCSCC(NC(=O)CC(=O)O)NC(=O)CCC(C(=O)O)N,0.422254890203476 -ClCCN(c1ccc(cc1)c1[nH]c2c(n1)cc(cc2)CCCCCCc1nc2c([nH]1)ccc(c2)N1CCN(CC1)C)CCCl,0.6670817732810974 -ClCC[N+](C)(C)C,0.4271990358829498 -ClCC[N+](C)(C)C.[Cl-],0.4271990358829498 -ClCCSCc1ccccc1,0.6775861978530884 -ClCC[N+](CCCl)(C)[O-],0.7316994071006775 -ClCCSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N,0.4761661589145661 -ClCC[N+](CCCl)(C)[O-].Cl,0.7448687553405762 -ClCCN(c1cccc(c1)/C=C/C(=O)OC1CCC2(C(C1)CCC1C2CCC2(C1CCC(=O)N2)C)C)CCCl,0.5216776728630066 -ClC[C@@H]1O[C@H](CCl)O[C@@H](O1)CCl,0.5411070585250854 -ClC[C@@H](CBr)Cl,0.4474380016326904 -ClCCc1cn([C@H]2C[C@@H]([C@H](O2)CO)O)c(=O)[nH]c1=O,0.4981266856193543 -ClC[C@@H](CBr)Br,0.38789978623390203 -ClCN1C(=O)c2c(C1=O)cccc2,0.5536914467811584 -ClCSP(=S)(OCC(C)C)OCC(C)C,0.3997555077075958 -ClCN1C(=O)c2c(C1=O)cc(cc2)[N+](=O)[O-],0.766102135181427 -ClC[C@H]1CO1,0.7076044082641602 -ClC[C@](CBr)(Br)C,0.4702854156494141 -ClC[C@H](O[C@@H](CCl)C)C,0.464013010263443 -ClC[C@H](Cl)C,0.28792738914489746 -ClC[Si](C=C)(C)C,0.4654737412929535 -ClC[C@H](OP(=O)(O[C@@H](CCl)C)O[C@@H](CCl)C)C,0.5272068977355957 -ClCc1c2ccccc2c(c2c1cccc2)C,0.6055728793144226 -ClC[C@@]12[C@H](Cl)[C@H]([C@H](C2(CCl)CCl)CC1(Cl)Cl)Cl,0.5968278050422668 -ClCc1c2ccc3c(c2cc2c1cccc2)cccc3,0.7033233046531677 -ClCc1c2ccc3c(c2c(c2c1cccc2)C)cccc3,0.6397178769111633 -ClCc1c2ccccc2c(c2c1cccc2)CCl,0.8576997518539429 -ClCc1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-],0.8871439099311829 -ClC[C@@H]1[C@H](CCl)[C@@]2(C([C@@]1(Cl)C(=C2Cl)Cl)(Cl)Cl)Cl,0.4873497486114502 -ClCc1c2ccccc2c(c2c1cccc2)Cl,0.760370135307312 -ClC[C@@]12[C@H](Cl)[C@@H]([C@H]([C@]2(CCl)C(Cl)Cl)CC1(Cl)Cl)Cl,0.5018489360809326 -ClCc1c2ccc3c4c2c(c2c1cccc2)ccc4ccc3,0.7197256684303284 -ClCc1c2ccccc2cc2c1cccc2,0.8258541226387024 -ClCc1ccc(cc1)C#N,0.8105232119560242 -ClCc1ccc(cc1)Br,0.5919800996780396 -ClCc1ccc(cc1)C(F)(F)F,0.6926027536392212 -ClCc1ccc(cc1)CCl,0.8510196805000305 -ClCc1ccc(cc1)C,0.6203330755233765 -ClCc1cc2cccc3-c4c(-c(c1)c23)cccc4,0.8006950616836548 -ClCc1cc2c3ccccc3cc3c2c2c1cccc2cc3,0.8076428174972534 -ClCc1ccc(cc1)F,0.6491445302963257 -ClCc1ccc(cc1)OC(=O)C,0.4630278646945954 -ClCc1ccc(cc1)Cl,0.6175931096076965 -ClCc1cc2cc3ccccc3c3c2c2c1cccc2cc3,0.80059814453125 -ClCc1cc2cccc3c2c2c1cc1ccccc1c2cc3,0.6824706792831421 -ClCc1cc2cccc3c2c2c1c1ccccc1cc2cc3,0.6575549840927124 -ClCc1ccc(cc1)OC,0.6014408469200134 -ClCc1ccc(cc1)[N+](=O)[O-],0.8801838755607605 -ClCc1ccc2-c3c(-c4c2c1ccc4)cccc3,0.8469337224960327 -ClCc1cccc(c1)CCl,0.6941497921943665 -ClCc1ccc2-c3c4c(-c2c1)cccc4ccc3,0.859998881816864 -ClCc1cccc(c1)/N=N/c1ccc(cc1)N(C)C,0.6750565767288208 -ClCc1ccc(cc1)c1nc2-c(c1)c([nH]cn2)N[C@@H](c1ccccc1)C,0.5757034420967102 -ClCc1cccc(c1)[N+](=O)[O-],0.7525057792663574 -ClCc1ccc2c3c1ccc1c3c(cc2)ccc1,0.8234786987304688 -ClCc1cccc(c1)N=Nc1ccc(cc1)N(C)C,0.7227821350097656 -ClCc1ccc2c3c1-c1ccccc1-c3ccc2,0.8358510136604309 -ClCc1ccccc1CCl,0.6149921417236328 -ClCc1ccccc1,0.6375901103019714 -ClCc1cccnc1,0.5922189354896545 -ClCc1ccc2c3c1ccc1c3c(cc2)cc2c1cccc2,0.7533356547355652 -ClCc1ccccc1[N+](=O)[O-],0.800237774848938 -ClCc1cccc2-c3c4c(-c12)cccc4ccc3,0.8152189254760742 -ClCc1ccccn1,0.6328092813491821 -ClCc1ccncc1,0.746608555316925 -ClCc1cnc(nc1Cl)Cl,0.472332775592804 -ClN1C(=O)N(C(C1=O)(C)C)Cl,0.25777626037597656 -ClN(S(=O)(=O)c1ccc(cc1)C(=O)O)Cl,0.3882751762866974 -ClCc1cccc2c1c1ccc3c4c1c(c2)ccc4ccc3,0.7698359489440918 -Cl[C@@H](C(F)(F)F)Br,0.4663538932800293 -ClNc1nc(NCl)nc(n1)NCl,0.3871428072452545 -ClNc1ccc2-c3c(Cc2c1)cccc3,0.7752925753593445 -ClN1C2C1c1ccccc1-c1c2cccc1,0.7484256625175476 -Cl[C@@H]1CN(C[C@H]1Cl)N=O,0.8821441531181335 -ClN1[C@@H]2[C@H]1c1ccccc1-c1c2cccc1,0.7016961574554443 -Cl[C@@H]1[C@H](Cl)[C@H](Cl)[C@H]([C@H]([C@H]1Cl)Cl)Cl,0.38115429878234863 -Cl[C@@H](c1ccccc1)C(=O)Cl,0.566179633140564 -Cl[C@@H](C=C)CCl,0.417866051197052 -Cl[C@@H](c1ccccc1)C(=O)NCc1ccccc1,0.5694013833999634 -Cl[C@H]1O[C@H]1CBr,0.5391865372657776 -Clc1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl,0.3293500542640686 -Clc1c(Cl)c(Cl)c(c2c1cccc2)Cl,0.5923413038253784 -Clc1[nH]c(=O)c(cc1Cl)Cl,0.4031968116760254 -Clc1c(Cl)cccc1Cl,0.4144154489040375 -Clc1c(Cl)c(Cl)c(c2c1c(Cl)c(c(c2Cl)Cl)Cl)Cl,0.41023531556129456 -Clc1c(Cl)ccc(c1Cl)Cl,0.30418896675109863 -Cl[C@H]1C=C[C@@H]2[C@@H]1[C@@]1(Cl)C(=C([C@@]2(C1(Cl)Cl)Cl)Cl)Cl,0.4696027338504791 -Clc1c(Cl)c([N+](=O)[O-])c(c(c1Cl)Cl)Cl,0.4812803268432617 -Clc1c(O)cc(c(c1Cl)Cl)Cl,0.4356617033481598 -Clc1c(O)c(Cl)c(c(c1Cl)Cl)Cl,0.4194904267787933 -Clc1c(Cl)cnn(c1=O)S(=O)(=O)C,0.4666787087917328 -Clc1c(O)cccc1Cl,0.42215442657470703 -Clc1c(S)c(Cl)c(c(c1Cl)Cl)Cl,0.1826666444540024 -Clc1c(ccc(c1N)[N+](=O)[O-])Oc1ccccc1,0.6323116421699524 -Clc1c2ccc3c(c2cc2c1cccc2)cccc3,0.555679976940155 -Clc1c2ccccc2cc2c1cccc2,0.6399769186973572 -Clc1cc(C)c2c(c1)c(=O)n(c(n2)C1=NN=C([CH]1)Br)C,0.4436225891113281 -Clc1c2Oc3c(Oc2c(c(c1Cl)Cl)Cl)c(Cl)c(c(c3Cl)Cl)Cl,0.3950356543064117 -Clc1cc(Cl)c(c(c1)Cl)Cl,0.22502227127552032 -Clc1cc(C)c2c(c1)c(=O)n1c(n2)c(Cl)ccc1,0.5454492568969727 -Clc1cc(Cc2cc(O)c(c(c2)Cl)N)cc(c1N)OS(=O)(=O)O,0.4590018391609192 -Clc1cc(Cl)c(c(c1)Cl)N,0.5949302315711975 -Clc1cc(C)c2c(c1)c(=O)n(c(n2)c1cc(nn1c1ncccc1Cl)Br)C,0.43420854210853577 -Clc1cc(Cl)c(c(c1Cl)Cl)Cl,0.2241347283124924 -Clc1cc(Cl)c(c(c1)Cl)O,0.5052334666252136 -Clc1cc(Cl)c(c(c1)S(=O)c1cc(Cl)cc(c1O)Cl)O,0.3747579455375672 -Clc1cc(Cl)c(c(c1Cl)O)Cl,0.31734269857406616 -Clc1cc(Cl)c(c(c1)S(=O)(=O)c1cc(Cl)cc(c1O)Cl)O,0.3537522852420807 -Clc1cc(Cl)c(cc1Cl)Cl,0.3356725871562958 -Clc1cc(Cl)c(c(c1Cl)[N+](=O)[O-])Cl,0.462583601474762 -Clc1cc(Cl)c(c(c1O)Cc1c(O)c(Cl)cc(c1Cl)Cl)Cl,0.4810220301151276 -Clc1cc(Cl)c(cc1O)Cl,0.4593518376350403 -Clc1cc(Cl)c2c(c1)c(/N=C/c1ccc(cc1)[N+](=O)[O-])sn2,0.7738442420959473 -Clc1cc(Cl)cc(c1)Cl,0.2399757355451584 -Clc1cc(Cl)c2c(c1)c(N)sn2,0.6474427580833435 -Clc1cc(Cl)c2c(c1O)nccc2,0.503520131111145 -Clc1cc(Cl)cc(c1Oc1ccc(cc1)[N+](=O)[O-])Cl,0.5928522944450378 -Clc1cc(Cl)nc(n1)Cl,0.17642842233181 -Clc1cc(Cl)cc(c1[N+](=O)[O-])Cl,0.5290017127990723 -Clc1cc(Cl)nc(n1)N,0.2454601228237152 -Clc1cc(N)c(c(c1)Cl)O,0.6614197492599487 -Clc1cc(N)c(c(c1)C(=O)O)Cl,0.3443560004234314 -Cl[C@@H]1[C@]2(Cl)C3C4C5[C@@]1(Cl)C([C@]2(Cl)C5C3C1C4O1)(Cl)Cl,0.5414865016937256 -Clc1cc(O)c(c(c1)Cl)Cl,0.4184977412223816 -Clc1cc(N)c(c(n1)C(=O)O)Cl,0.25434359908103943 -Clc1cc(Sc2cc(Cl)cc(c2O)Cl)c(c(c1)Cl)O,0.4118801653385161 -Clc1cc(N)c(cc1c1cc(Cl)c(cc1Cl)N)Cl,0.6210027933120728 -Clc1cc(Sc2cc(Cl)cc(c2O)[N+](=O)[O-])c(c(c1)[N+](=O)[O-])O,0.4321547448635101 -Clc1cc(NC(=O)c2c(O)c(Cl)cc(c2Cl)Cl)c(c(c1)Cl)O,0.3533317446708679 -Clc1cc([N+](=O)[O-])c(c(c1Cl)Cl)Cl,0.47942915558815 -Clc1cc([N+](=O)[O-])c(cc1Cl)Cl,0.4013347029685974 -Clc1cc(cc(c1)Cl)NS(=O)(=O)c1cccc2c1nccc2,0.2885634005069733 -Clc1cc(ccc1/N=N/c1ccc(cc1)CCNCC[N+](C)(C)C)[N+](=O)[O-],0.5654654502868652 -Clc1cc(ccc1N=Nc1c(O)ccc2c1cccc2)[N+](=O)[O-],0.7381299138069153 -Clc1cc(ccc1Cl)NS(=O)(=O)c1cccc2c1nccc2,0.2656892538070679 -Clc1cc(ccc1Oc1ccc(c(c1)F)N)C(F)(F)F,0.6569933891296387 -Clc1cc(cnc1CCNC(=O)c1ccccc1C(F)(F)F)C(F)(F)F,0.17531052231788635 -Clc1cc(cnc1Nc1c(cc(c(c1N)Cl)C(F)(F)F)[N+](=O)[O-])C(F)(F)F,0.4062904715538025 -Clc1cc(cnc1CNC(=O)c1c(Cl)cccc1Cl)C(F)(F)F,0.30024659633636475 -Clc1cc(cnc1Nc1c(cc(c(c1[N+](=O)[O-])Cl)C(F)(F)F)[N+](=O)[O-])C(F)(F)F,0.4647295475006104 -Clc1cc2N=CNS(=O)(=O)c2cc1S(=O)(=O)N,0.5569159388542175 -Clc1cc(cnc1Nc1c(cc(c(c1[N+](=O)[O-])O)C(F)(F)F)[N+](=O)[O-])C(F)(F)F,0.3755704462528229 -Clc1cc2NC=NS(=O)(=O)c2cc1S(=O)(=O)N,0.5909206867218018 -Clc1cc2NCNS(=O)(=O)c2cc1S(=O)(=O)N,0.4381374716758728 -Clc1cc2Oc3cc(Cl)c(cc3Oc2cc1Cl)Cl,0.4604375958442688 -Clc1cc2Oc3cc([N+](=O)[O-])c(cc3Oc2cc1Cl)Cl,0.5265137553215027 -Clc1cc2Oc3c(Oc2cc1Cl)cc(c(c3Cl)[N+](=O)[O-])Cl,0.5788320302963257 -Clc1cc2Oc3cc(ccc3Oc2cc1Cl)[N+](=O)[O-],0.6550313234329224 -Clc1ccc(c(c1)C(=O)Nc1ccc(cc1Cl)[N+](=O)[O-])O,0.39716702699661255 -Clc1cc2ccccc2c2c1cccc2,0.6907548308372498 -Clc1ccc(c(c1)C(=O)O)O,0.3046579957008362 -Clc1cc2c(c3c1cccc3)ccc1c2cccc1,0.5482867956161499 -Clc1ccc(c(c1)C(=O)O)Cl,0.28243696689605713 -Clc1ccc(c(c1)C)N,0.5322615504264832 -Clc1ccc(c(c1)C)O,0.4965519905090332 -Clc1ccc(c(c1)Cc1ccccc1)O,0.3386756181716919 -Clc1cc2S/C(=C/3\Sc4c(C3=O)c(C)cc(c4)Cl)/C(=O)c2c(c1)C,0.4603655934333801 -Clc1ccc(c(c1)Cl)C(=O)Cl,0.3339167833328247 -Clc1ccc(c(c1)Cl)C(=O)O,0.3683943450450897 -Clc1ccc(c(c1)Cl)C(Cn1cncn1)COC(C(=O)O)(F)F,0.2992820143699646 -Clc1ccc(c(c1)Cl)C(Cl)(Cl)Cl,0.29839256405830383 -Clc1ccc(c(c1)Cl)C(Cn1cncn1)COC(C(F)F)(F)F,0.5983119010925293 -Clc1ccc(c(c1)Cl)Cl,0.3799099922180176 -Clc1ccc(c(c1)Cl)C1(C=CCO1)Cn1cncn1,0.25310200452804565 -Clc1ccc(c(c1)Cl)COC(=O)c1cccc2c1nccc2,0.35041695833206177 -Clc1ccc(c(c1)Cl)N,0.544804573059082 -Clc1ccc(c(c1)Cl)Cn1nc(c2c1cccc2)C(=O)O,0.3729538023471832 -Clc1ccc(c(c1)Cl)NS(=O)(=O)c1cccc2c1nccc2,0.21326832473278048 -Clc1ccc(c(c1)Cl)O,0.5330955386161804 -Clc1ccc(c(c1)Cl)Cn1c(/C=N/OCc2ccccc2[N+](=O)[O-])nc2c1ccc(c2)[N+](=O)[O-],0.7924250364303589 -Clc1ccc(c(c1)Cl)[N+](=O)[O-],0.6690598726272583 -Clc1ccc(c(c1)Cl)S(=O)(=O)n1ncc(c(c1=O)Cl)Cl,0.42358532547950745 -Clc1ccc(c(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-],0.5624731779098511 -Clc1ccc(c(c1)Cl)Oc1ccc(cc1)N(C(=O)C)O,0.472910463809967 -Clc1ccc(c(c1)N)Cl,0.5456295013427734 -Clc1ccc(c(c1)N)C,0.4971304833889008 -Clc1ccc(c(c1)Cl)n1c(=O)[nH]c2c(c1=O)cc(cc2)F,0.2975394427776337 -Clc1ccc(c(c1)N)N,0.6409519910812378 -Clc1ccc(c(c1)N)[N+](=O)[O-],0.6042905449867249 -Clc1ccc(c(c1)N)O,0.5620360970497131 -Clc1ccc(c(c1)Cl)n1c(nc2c(c1=O)cc(cc2)F)n1cncn1,0.1544455587863922 -Clc1ccc(c(c1)Nc1ccccc1C(=O)O)C(=O)O,0.3742001354694367 -Clc1ccc(c(c1)Nc1ccccc1C(=O)O)C(=O)O.[Na+].[Na+],0.3937293887138367 -Clc1ccc(c(c1)O)Cl,0.4193540513515472 -Clc1ccc(c(c1)N=Nc1c(O)c(cc2c1cccc2)C(=O)Nc1ccccc1)Cl,0.5017582178115845 -Clc1ccc(c(c1)[N+](=O)[O-])N,0.6312435865402222 -Clc1ccc(c(c1)[N+](=O)[O-])C,0.5346373915672302 -Clc1ccc(c(c1)[N+](=O)[O-])Cl,0.5259656310081482 -Clc1ccc(c(n1)C(=O)O)Cl,0.15193937718868256 -Clc1cc(ccc1/N=N/c1c2ccc(cc2cc(c1N)S(=O)(=O)O)S(=O)(=O)O)c1ccc(c(c1)Cl)/N=N/c1c2ccc(cc2cc(c1N)S(=O)(=O)O)S(=O)(=O)O.[Na+].[Na+].[Na+].[Na+],0.5654653310775757 -Clc1ccc(c(c1Cl)O)Cl,0.3173087239265442 -Clc1ccc(cc1)/C=C/c1ccc(cc1)[N+](=O)[O-],0.6118708848953247 -Clc1ccc(cc1)/C=N/n1nnc2-c(c1O)nc1c2cccc1,0.5840909481048584 -Clc1ccc(cc1)Br,0.31337791681289673 -Clc1ccc(cc1)C(=O)Cl,0.5071192979812622 -Clc1ccc(cc1)/C=N/n1nnc2c(c1=O)[nH]c1c2cccc1,0.651759147644043 -Clc1cc(ccc1N=Nc1c2ccc(cc2cc(c1N)S(=O)(=O)O)S(=O)(=O)O)c1ccc(c(c1)Cl)N=Nc1c2ccc(cc2cc(c1N)S(=O)(=O)O)S(=O)(=O)O,0.5154187083244324 -Clc1ccc(cc1)C(=O)NC(C(=O)O)Cc1cc(O)nc2c1cccc2,0.2531607747077942 -Clc1ccc(cc1)C(=O)c1ccc(cc1)OC(C(=O)O)(C)C,0.31093961000442505 -Clc1ccc(cc1)C(Cl)(Cl)Cl,0.1933111846446991 -Clc1ccc(cc1)CCC(C(C)(C)C)(Cn1cncn1)O,0.3657134771347046 -Clc1ccc(cc1)CC1OC1,0.4656452238559723 -Clc1ccc(cc1)C(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)c1ccc(cc1)Cl,0.4351896345615387 -Clc1ccc(cc1)C(=O)ON(C(=O)c1ccccc1)OCc1ccccc1,0.4303976893424988 -Clc1ccc(cc1)CC[C@@H]1OC1,0.5081842541694641 -Clc1ccc(cc1)CNC1CCCC1,0.3716140389442444 -Clc1ccc(cc1)CN(C(=O)Nc1ccccc1)C1CCCC1,0.2403918206691742 -Clc1ccc(cc1)COC(=O)c1cccc2c1nccc2,0.4712582528591156 -Clc1ccc(cc1)Cl,0.2754839360713959 -Clc1ccc(cc1)C[C@@H]1OC1,0.4218878746032715 -Clc1ccc(cc1)CO[C@@H](c1ccc(cc1Cl)Cl)Cn1cncc1,0.26215916872024536 -Clc1ccc(cc1)CO[C@@H](c1ccc(cc1Cl)Cl)Cn1cncc1.[O-][N+](=O)O,0.2669913172721863 -Clc1ccc(cc1)CN1C2C1c1ccccc1-c1c2cccc1,0.6751899719238281 -Clc1ccc(cc1)NC(=O)c1csc(c1)[N+](=O)[O-],0.5047280192375183 -Clc1ccc(cc1)CO/N=C/c1c(C)n(c2c1cc(cc2)[N+](=O)[O-])Cc1ccccc1,0.7222809791564941 -Clc1ccc(cc1)Nc1ccc(cc1)[N+](=O)[O-],0.7491464614868164 -Clc1ccc(cc1)OC(C(=O)C(C)(C)C)n1cncc1,0.2843207716941833 -Clc1ccc(cc1)NS(=O)(=O)c1cccc2c1nccc2,0.3264174163341522 -Clc1ccc(cc1)Cn1c(/C=N/OCc2cccc(c2)[N+](=O)[O-])nc2c1ccc(c2)[N+](=O)[O-],0.7573833465576172 -Clc1ccc(cc1)Cn1c2ccc(cc2c(c1C)/C=N/OCc1ccc(cc1Cl)Cl)[N+](=O)[O-],0.7700202465057373 -Clc1ccc(cc1)O[C@@H](C(=O)C(C)(C)C)n1cncc1,0.214106485247612 -Clc1ccc(cc1)OCCO/C(=C(\n1cncc1)/C)/c1ccc(cc1Cl)Cl,0.3969528079032898 -Clc1ccc(cc1)Oc1ccc(c(c1)Cl)C(=O)O,0.32696670293807983 -Clc1ccc(cc1)Oc1ccc(c(c1)Cl)C(=O)Cn1cncn1,0.3829492628574371 -Clc1ccc(cc1)S(=O)(=O)C,0.4046576917171478 -Clc1ccc(cc1)S(=O)(=O)c1cc(Cl)c(cc1Cl)Cl,0.4424745440483093 -Clc1ccc(cc1)S(=O)(=O)c1ccc(cc1)Cl,0.5199531316757202 -Clc1ccc(cc1)OCCO/C(=C(\n1cncc1)/C)/c1ccc(cc1Cl)Cl.[O-][N+](=O)O,0.39912307262420654 -Clc1ccc(cc1)Oc1ccc(c(c1)Cl)C(Cn1cncn1)O,0.4154943525791168 -Clc1ccc(cc1)S(=O)O,0.37991863489151 -Clc1ccc(cc1)S(=O)C,0.4875265657901764 -Clc1ccc(cc1)SCc1ccc(cc1)Cl,0.2844443917274475 -Clc1ccc(cc1)S(=O)(=O)n1ncc(c(c1=O)Cl)Cl,0.4945616722106934 -Clc1ccc(cc1)[N+](=O)[O-],0.5469156503677368 -Clc1ccc(cc1)[S@](=O)C,0.4756793081760407 -Clc1ccc(cc1)c1nc2c(o1)cccc2,0.4893644452095032 -Clc1ccc(cc1)c1nc2n(c1[N+](=O)[O-])CCS2,0.30314651131629944 -Clc1ccc(cc1Cl)C(Cl)(Cl)Cl,0.3616480231285095 -Clc1ccc(cc1)c1nc2n(c1[N+](=O)[O-])ccs2,0.5881211161613464 -Clc1ccc(cc1N)C(F)(F)F,0.4959561228752136 -Clc1ccc(cc1Cl)c1ccc(c(c1Cl)Cl)Cl,0.403651773929596 -Clc1ccc(cc1)[C@H]1OC(=O)[C@@](C1)(Cn1cncn1)c1ccccc1,0.15543195605278015 -Clc1ccc(cc1Cl)N=Nc1ccc(c(c1)Cl)Cl,0.5512242317199707 -Clc1ccc(cn1)Cl,0.18200942873954773 -Clc1ccc(cc1)[C@@H]1OC(=O)[C@@](C1)(Cn1cncn1)c1ccccc1,0.1905130445957184 -Clc1ccc2-n3c(CN=C(c2c1)c1ccccc1Cl)nnc3C,0.5410193204879761 -Clc1ccc2c(c1)C(=NCC(=O)N2C)c1ccccc1,0.4910174012184143 -Clc1ccc2c(c1)C(=NCCN2C)c1ccccc1.Cl,0.5049346685409546 -Clc1ccc2c(c1)C(=NC=C1N2C=NN1)c1ccccc1,0.6886857748031616 -Clc1ccc2c(c1)N(C(=O)CC(=O)N2C)c1ccccc1,0.3044571280479431 -Clc1ccc2-n3cnnc3CN=C(c2c1)c1ccccc1,0.6334857940673828 -Clc1ccc2c(c1)c(N)c1c(n2)cccc1,0.7285810708999634 -Clc1ccc2c(c1)[n+]([O-])nc(n2)n1cncc1,0.41493868827819824 -Clc1ccc2-n3nc(nc3CN=C(c2c1)c1ccccc1Cl)C(=O)N(C)C,0.6081741452217102 -Clc1ccc2c(c1)Oc1c(O2)cc(cc1)Cl,0.6131114959716797 -Clc1ccc2c(c1)c1ccccc1o2,0.569848358631134 -Clc1ccc2c(c1)c(N)sn2,0.6394811868667603 -Clc1ccc2c(c1)cc1c(c2)cccc1,0.6349932551383972 -Clc1ccc2c(c1)cccn2,0.5652186274528503 -Clc1ccc2c(c1)cccc2,0.5126332044601439 -Clc1ccc2c(c1)nc([nH]2)C,0.5898346900939941 -Clc1ccc2c(c1)nc([nH]2)N,0.5026501417160034 -Clc1ccc2c(c1)nc(n2C)N,0.5464740991592407 -Clc1ccc2c(c1)nc1c(n2)cc(c(c1)N)N,0.7721342444419861 -Clc1ccc2c(c1)oc1c2cccc1,0.5479468107223511 -Clc1ccc2c(n1)cccc2,0.4565040469169617 -Clc1ccc2c(c1)nsc2N,0.6356188654899597 -Clc1ccc2c(c1)oc1-c(n2)cc(c(=O)c1)N,0.6828165054321289 -Clc1ccc2c3c1ccc1c3c(cc2)ccc1,0.5844942927360535 -Clc1cccc(c1)Br,0.2536190152168274 -Clc1cccc(c1)C(=O)Cl,0.4466806352138519 -Clc1cccc(c1)/C=C/c1ccc(cc1)[N+](=O)[O-],0.7219613790512085 -Clc1cccc(c1)C(=O)O,0.3438843786716461 -Clc1ccc2c(c1)ncc(n2)Oc1ccc(cc1)OC(C(=O)OCC1CCCO1)C,0.3852431178092957 -Clc1cccc(c1)NC(=O)N(C)C,0.451378732919693 -Clc1cccc(c1)Cl,0.24545475840568545 -Clc1cccc(c1)C(F)(F)F,0.3710425496101379 -Clc1cccc(c1)NS(=O)(=O)c1cccc2c1nccc2,0.4317677021026611 -Clc1cccc(c1)NC(=O)c1csc(c1)[N+](=O)[O-],0.5290767550468445 -Clc1cccc(c1)C(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)c1cccc(c1)Cl,0.44814378023147583 -Clc1cccc(n1)C(Cl)(Cl)Cl,0.13103993237018585 -Clc1cccc(c1O)Cl,0.4260013103485107 -Clc1cccc(c1NC1=NCCN1)Cl,0.4690378606319428 -Clc1cccc(n1)Cl,0.1896919012069702 -Clc1cccc(c1)[N+](=O)[O-],0.6166422367095947 -Clc1cccc(c1)c1nc2c(o1)cccc2,0.4971087574958801 -Clc1cccc2c1c1ccccc1o2,0.6010624170303345 -Clc1ccccc1,0.4129223823547363 -Clc1cccc2c1cccn2,0.5023850202560425 -Clc1cccc2c1nccc2,0.4509105682373047 -Clc1cccc2c1cccc2,0.6049948930740356 -Clc1cccc2c1oc1c2cccc1,0.5129518508911133 -Clc1cccc2c1cc1ccccc1c2,0.6836073994636536 -Clc1ccccc1C(C(C1(Cl)CC1)(Cn1cncn1)O)O,0.4383302628993988 -Clc1ccccc1Cl,0.3731941878795624 -Clc1ccccc1C(F)(F)F,0.4518007338047028 -Clc1ccccc1CC(C1(Cl)CC1)(Cn1nccc1S(=O)(=O)O)O,0.3000114858150482 -Clc1ccccc1CC(C1(Cl)CC1)(Cn1[nH]cnc1=S)O,0.5181559920310974 -Clc1ccccc1CC(C1(Cl)CC1)(Cn1nc[nH]c1=O)O,0.485072523355484 -Clc1ccccn1,0.2348565310239792 -Clc1ccccc1S(=O)(=O)N,0.5181277394294739 -Clc1ccccc1NS(=O)(=O)c1cccc2c1nccc2,0.4201310575008392 -Clc1ccccc1c1nnc(nn1)c1ccccc1Cl,0.2546523213386536 -Clc1ccncc1,0.264598548412323 -Clc1cccnc1,0.3112092018127441 -Clc1ccnc2c1cccc2,0.44829124212265015 -Clc1cncc(c1)Cl,0.22909840941429135 -Clc1cnn(c(=O)c1Cl)C(=O)c1ccccc1,0.532073438167572 -Clc1cnc2c(c1)cccc2,0.5649146437644958 -Clc1cnc2c(c1C)cccc2,0.5258914232254028 -Clc1ncccc1Cl,0.14368769526481628 -Clc1nc2ccccc2nc1Cl,0.417504608631134 -Clc1cnn(c(=O)c1Cl)S(=O)(=O)c1ccccc1,0.5376312136650085 -Clc1nc(nc(n1)Cl)Nc1ccccc1Cl,0.3738314211368561 -Clc1cnc(c(c1)Cl)Oc1ccc(cc1)Oc1ncc(cc1Cl)Cl,0.17816202342510226 -Clc1nncc2c1cccc2,0.6257578134536743 -Clc1nnc(c2c1cccc2)Cl,0.4884652495384216 -Clc1nnc(c(c1)O)c1ccccc1,0.30619123578071594 -Clc1nncc2c1nccc2,0.4164098203182221 -Clc1nncc2c1cccn2,0.33398646116256714 -Cn1c(=O)n(C)c2c(c1=O)nc[nH]2,0.3629192709922791 -Clc1nncc2c1cncc2,0.35094353556633 -Cn1c(N)nc2c1cc(cn2)c1ccccc1,0.5644989609718323 -Cn1c(N)nc2c1cc1ccccc1c2,0.6426068544387817 -Clc1nncc2c1ccnc2,0.2219190150499344 -Cn1c(N)nc2c1c1cccnc1cc2,0.7032169103622437 -Cn1c(N)nc2c1cc1ccccc1n2,0.6896194219589233 -Cn1c(N)nc2c1cc1ccncc1n2,0.6335491538047789 -Cn1c(N)nc2c1cc1cnccc1n2,0.6739993095397949 -Cn1cc(cc(c1=O)Cl)C(F)(F)F,0.4201232492923737 -Cn1c(N)nc2c1cccc2,0.6370924711227417 -Cn1c(O)nc(nc1=O)NC(C)(C)C,0.4745357036590576 -Cn1c2ccccc2c2c1cccc2,0.7872093319892883 -Cn1c(N)nc2c1cc1ncccc1n2,0.567827582359314 -Cn1c2cc(cnc2nc1[N+](=O)[O-])c1ccccc1,0.6284929513931274 -Cn1cc2c(n1)c(ccc2)[N+](=O)[O-],0.8794166445732117 -Cn1ccnc1S,0.18046587705612185 -Cn1cccc1,0.4612593650817871 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-Nc1cc(N)c(cc1N=Nc1ccccc1)C,0.5672143697738647 -Nc1c(N=Nc2ccc(cc2)c2ccc(cc2)N=Nc2cc(c3c(c2N)cccc3)S(=O)(=O)O)cc(c2c1cccc2)S(=O)(=O)O,0.5624768137931824 -Nc1cc(N)c(cc1N=Nc1cccnc1)C,0.5285176038742065 -Nc1cc([N+](=O)[O-])c(cc1C)N,0.5908668637275696 -Nc1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])C,0.5925792455673218 -Nc1cc([N+](=O)[O-])c(c(c1C)C)N,0.595293402671814 -Nc1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])c1ccccc1,0.7399839162826538 -Nc1cc([N+](=O)[O-])c(cc1Cl)N,0.616613507270813 -Nc1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-],0.7253050804138184 -Nc1cc(cc(c1O)Cl)[N+](=O)[O-],0.6630510091781616 -Nc1cc([N+](=O)[O-])c(cc1F)N,0.6929587125778198 -Nc1cc(cc(c1O)Cl)[N+](=O)[O-].Cl,0.6450049877166748 -Nc1cc(ccc1c1ccc(cc1)[N+](=O)[O-])[N+](=O)[O-],0.8154386281967163 -Nc1cc(cc2c1c(O)c(c(c2)S(=O)(=O)O)/N=N/c1ccccc1)S(=O)(=O)O,0.5786002278327942 -Nc1cc(cc2c1c(O)c(c(c2)S(=O)(=O)O)N=Nc1ccccc1)S(=O)(=O)O,0.6600209474563599 -Nc1cc2c(c(c1)S(=O)(=O)O)cccc2S(=O)(=O)O,0.538185715675354 -Nc1cc2c(c3c1cccc3)ccc1c2cccc1,0.7829564213752747 -Nc1cc(nn1C)C1CC1,0.3610474467277527 -Nc1cc2ccccc2cc1N,0.7032068967819214 -Nc1cc2ccccc2c2c1cccc2,0.8339033126831055 -Nc1cc2c(cc1C)nc1c([n+]2c2ccccc2)cc(c(c1)C)N,0.693058967590332 -Nc1cc2cccc3c2c2c1cccc2cc3,0.7783516645431519 -Nc1cc2cccc3-c4c(-c(c1)c23)cccc4,0.8268650770187378 -Nc1cc2ccc3c4c2c(c1)ccc4ccc3,0.7802051305770874 -Nc1ccc(c(c1)C(=O)O)O,0.2788335084915161 -Nc1ccc(c(c1)C(F)(F)F)Cl,0.44820013642311096 -Nc1cc2nc3ccccc3nc2cc1N,0.7850047945976257 -Nc1cc2nc3cc(N)c(cc3cc2cc1C)C,0.6281359195709229 -Nc1cc2nc3ccccc3nc2cc1O,0.688750147819519 -Nc1cc2nc3c(nc2cc1C)ccc(c3N)C,0.7068134546279907 -Nc1ccc(c(c1)C)C,0.536840558052063 -Nc1ccc(c(c1)C)N,0.5758845210075378 -Nc1ccc(c(c1)Cl)C,0.517532229423523 -Nc1ccc(c(c1)Cl)Cl,0.6200710535049438 -Nc1ccc(c(c1)Cl)C.Cl,0.5200570225715637 -Nc1ccc(c(c1)Cl)c1ccc(cc1Cl)N,0.5866101384162903 -Nc1ccc(c(c1)C)c1ccc(cc1C)N,0.572820782661438 -Nc1cc(N)c(cc1/N=N/c1ccc(cc1)c1ccc(cc1)/N=N/c1ccc(c(c1)C(=O)O)O)/N=N/c1ccc(cc1)S(=O)(=O)O,0.5125019550323486 -Nc1ccc(c(c1)N)Cl,0.5575205087661743 -Nc1ccc(c(c1)N)N=Nc1cccc(c1)N=Nc1ccc(cc1N)N,0.6618786454200745 -Nc1ccc(c(c1)N)C,0.4554912447929382 -Nc1ccc(c(c1)N=[N+](c1cc(N)ccc1C)[O-])C,0.6418986320495605 -Nc1ccc(c(c1)N)O,0.5646721124649048 -Nc1ccc(c(c1)N)[N+](=O)[O-],0.6038882732391357 -Nc1ccc(c(c1)N)N=Nc1ccccc1,0.6280379295349121 -Nc1ccc(c(c1)O)C,0.4211118221282959 -Nc1ccc(c(c1)O)[N+](=O)[O-],0.6269074082374573 -Nc1ccc(c(c1)S(=O)(=O)O)/C=C/c1ccc(cc1S(=O)(=O)O)N,0.5073306560516357 -Nc1ccc(c(c1)S(=O)(=O)O)/C=C/c1ccc(cc1S(=O)(=O)O)N.[Na+].[Na+],0.5166827440261841 -Nc1ccc(c(c1)S(=O)(=O)O)/C=C\c1ccc(cc1S(=O)(=O)O)N,0.4312801957130432 -Nc1ccc(c(c1)S(=O)(=O)O)N,0.5030804872512817 -Nc1ccc(c(c1)[N+](=O)[O-])C,0.6484966874122621 -Nc1ccc(c(c1)S(=O)(=O)O)c1ccc(cc1S(=O)(=O)O)N,0.5947362780570984 -Nc1ccc(c(c1)[N+](=O)[O-])Cc1ccc(cc1[N+](=O)[O-])N,0.6889511346817017 -Nc1ccc(c(c1)[N+](=O)[O-])N,0.6212970018386841 -Nc1cc(N)c(cc1N=Nc1ccc(cc1)c1ccc(cc1)N=Nc1ccc(c(c1)C(=O)O)O)N=Nc1ccc(cc1)S(=O)(=O)O,0.4983741641044617 -Nc1ccc(c(c1)[N+](=O)[O-])c1ccc(cc1N)[N+](=O)[O-],0.615821123123169 -Nc1ccc(c(c1)[N+](=O)[O-])O,0.5864002108573914 -Nc1ccc(c(c1)[N+](=O)[O-])c1ccc(cc1[N+](=O)[O-])N,0.6833924055099487 -Nc1ccc(c(c1C)N)/N=N/c1ccccc1,0.5666120648384094 -Nc1ccc(c(c1C)N)N=Nc1ccccc1,0.6173434257507324 -Nc1ccc(c(c1Cl)Cl)Cl,0.5258496999740601 -Nc1ccc(c2c1C(=O)c1c(O)ccc(c1C2=O)N)O,0.5690900087356567 -Nc1ccc(c2c1C(=O)c1ccccc1C2=O)N,0.643896222114563 -Nc1ccc(c2c1cccc2)S(=O)(=O)O,0.6171291470527649 -Nc1ccc(c2c1C(=O)c1c(C2=O)cccc1[N+](=O)[O-])N,0.812077522277832 -Nc1ccc(cc1)/C=C/c1ccc(cc1)C(C)(C)C,0.5393170118331909 -Nc1ccc(c2c1cccc2)N,0.7011665105819702 -Nc1ccc(cc1)/C=C/c1ccc(cc1)Cl,0.481602281332016 -Nc1ccc(cc1)/C=C/c1ccc(cc1)[N+](=O)[O-],0.7101923823356628 -Nc1ccc(cc1)/C=C/c1cccc(c1)N,0.6450956463813782 -Nc1ccc(cc1)/C=C/c1ccc(cc1)N,0.6090695261955261 -Nc1ccc(cc1)/C=C/c1ccccc1,0.6243395805358887 -Nc1ccc(cc1)/N=N/c1ccc(cc1)N,0.6155806183815002 -Nc1ccc(cc1)/N=N/c1ccccc1,0.6734769940376282 -Nc1ccc(cc1)Br,0.5600787401199341 -Nc1ccc(cc1)C(=O)N,0.4413836598396301 -Nc1ccc(cc1)/C=C/c1cccc(c1)Cl,0.5326496362686157 -Nc1ccc(cc1)Cc1ccc(cc1)N.Cl.Cl,0.6025665998458862 -Nc1ccc(cc1)Cc1ccc(cc1)N,0.583621621131897 -Nc1ccc(cc1)CCc1ccccc1,0.5054047107696533 -Nc1ccc(cc1)CCc1ccc(cc1)N,0.546119749546051 -Nc1ccc(cc1)Cc1ccc(c(c1)Cc1ccc(cc1)N)N,0.570758044719696 -Nc1ccc(cc1)Cl,0.5262740254402161 -Nc1ccc(cc1)F,0.4802432954311371 -Nc1ccc(cc1)Cl.Cl,0.5378150343894958 -Nc1ccc(cc1)N,0.624930739402771 -Nc1ccc(cc1)N.Cl.Cl,0.6211895346641539 -Nc1ccc(cc1)N=Nc1ccc(cc1)N,0.6943181157112122 -Nc1ccc(cc1)N=Nc1cccc(c1N)N,0.6959043741226196 -Nc1ccc(cc1)N=Nc1ccccc1,0.7154256701469421 -Nc1ccc(cc1)Nc1ccccc1,0.6379165649414062 -Nc1ccc(cc1)NC(=O)c1ccc(cc1)C(=O)O,0.4082514643669128 -Nc1ccc(cc1)Nc1ccc(cc1)[N+](=O)[O-],0.7971017956733704 -Nc1ccc(cc1)Nc1c2ccccc2nc2c1cccc2,0.8126592636108398 -Nc1ccc(cc1)O,0.5509950518608093 -Nc1ccc(cc1)Oc1c(Cl)cc(cc1Cl)Cl,0.5454630851745605 -Nc1ccc(cc1)N(c1ccc2c(c1)cccc2)c1ccc2c(c1)cccc2,0.7471555471420288 -Nc1ccc(cc1)Oc1ccc(c(c1)N)N,0.5677412748336792 -Nc1ccc(cc1)Oc1ccc(cc1)N,0.5798185467720032 -Nc1ccc(cc1)Oc1ccc(cc1Cl)Cl,0.5385245084762573 -Nc1ccc(cc1)Oc1ccc(cc1)[N+](=O)[O-],0.6296805143356323 -Nc1ccc(cc1)S(=O)(=O)N,0.4775690138339996 -Nc1ccc(cc1)Oc1ccc(cc1)Oc1ccc(cc1)N,0.6310592889785767 -Nc1ccc(cc1)S(=O)(=O)Nc1ccccn1,0.496709018945694 -Nc1ccc(cc1)Oc1cccc(c1)Oc1ccc(cc1)N,0.6000450849533081 -Nc1ccc(cc1)Oc1ccccc1,0.6454564332962036 -Nc1ccc(cc1)S(=O)(=O)Nc1nccs1,0.4731256365776062 -Nc1ccc(cc1)S(=O)(=O)Nc1nnc(s1)C,0.5604508519172668 -Nc1ccc(cc1)S(=O)(=O)Nc1nc(C)cc(n1)C,0.4110352098941803 -Nc1ccc(cc1)S(=O)(=O)Nc1cnc2c(n1)cccc2Cl,0.43734011054039 -Nc1ccc(cc1)S(=O)(=O)Nc1onc(c1C)C,0.4698494076728821 -Nc1ccc(cc1)S(=O)(=O)O,0.4926887452602386 -Nc1ccc(cc1)S(=O)(=O)Nc1noc(c1)C,0.5397845506668091 -Nc1ccc(cc1)S(=O)(=O)c1ccc(cc1)N,0.5901629328727722 -Nc1ccc(cc1)Sc1ccc(cc1)[N+](=O)[O-],0.7764841318130493 -Nc1ccc(cc1)Sc1ccc(cc1)N,0.611785352230072 -Nc1ccc(cc1)[N+](=O)[O-],0.6344490051269531 -Nc1ccc(cc1)Sc1ccccc1,0.5795251131057739 -Nc1ccc(cc1)c1ccc(c(c1)[N+](=O)[O-])N,0.542475700378418 -Nc1ccc(cc1)c1ccc(cc1)Cl,0.5167964100837708 -Nc1ccc(cc1)c1cc(Cl)c(c(c1)Cl)N,0.5209792852401733 -Nc1ccc(cc1)c1ccc(cc1)N,0.6017509698867798 -Nc1ccc(cc1)c1[n+](C)c2cc(N)ccc2c2c1cc(N)cc2,0.6684325933456421 -Nc1ccc(cc1)c1ccc(cc1)N.Cl.Cl,0.6294423937797546 -Nc1ccc(cc1)c1ccc(cc1)[N+](=O)[O-],0.7450595498085022 -Nc1ccc(cc1)c1ccc(cc1[N+](=O)[O-])N,0.6394144892692566 -Nc1ccc(cc1)c1ccc(cc1)c1ccc(cc1)N,0.5740166306495667 -Nc1ccc(cc1)c1nc2c(s1)cc(cc2)C,0.6342848539352417 -Nc1ccc(cc1)c1ccccc1,0.6360841989517212 -Nc1ccc(cc1)c1ccccc1C,0.6572853922843933 -Nc1ccc(cc1)c1ccc(cc1)c1ccc(cc1)c1ccc(cc1)N,0.55512535572052 -Nc1ccc(cc1)c1nc2c(s1)c(c(cc2)C)S(=O)(=O)O,0.5243414044380188 -Nc1ccc(cc1C)Cc1ccc(c(c1)C)N,0.4792323112487793 -Nc1ccc(cc1Br)c1ccc(c(c1)Br)N,0.5668581128120422 -Nc1ccc(cc1C)S(=O)(=O)O,0.4112352430820465 -Nc1ccc(cc1Cl)C(F)(F)F,0.5301119089126587 -Nc1ccc(cc1C)NOS(=O)(=O)O,0.4812394082546234 -Nc1ccc(cc1C)c1ccc(c(c1)C)N,0.5336589217185974 -Nc1ccc(cc1Cl)Cc1cc(O)c(c(c1)Cl)N,0.4979777336120606 -Nc1ccc(cc1Cl)Cc1ccc(c(c1)Cl)N,0.6231768131256104 -Nc1ccc(cc1Cl)c1ccc(c(c1)Cl)N,0.5844916105270386 -Nc1ccc(cc1Cl)Oc1ccc(c(c1)Cl)N,0.5945459604263306 -Nc1ccc(cc1Cl)c1cc(Cl)c(c(c1)Cl)N,0.6473066806793213 -Nc1ccc(cc1Cl)NOS(=O)(=O)O,0.4724469184875488 -Nc1ccc(cc1F)c1ccc(c(c1)F)N,0.595628023147583 -Nc1ccc(cc1N)c1ccc(c(c1)N)N,0.6031938195228577 -Nc1ccc(cc1O)c1ccc(c(c1)O)N,0.549721360206604 -Nc1ccc2-c3c(-c4c2c1ccc4)cccc3,0.7736645340919495 -Nc1ccc2-c3c(Cc2c1)cc(cc3)N,0.6956557035446167 -Nc1ccc2-c3c(Cc2c1C(C)(C)C)cccc3,0.5247602462768555 -Nc1ccc2-c3c(Cc2c1)cccc3,0.637059211730957 -Nc1ccc2-c3c4c(-c2c1)cccc4ccc3,0.9412291646003724 -Nc1ccc2-c3c(Cc2c1)cc(cc3)[N+](=O)[O-],0.8569414019584656 -Nc1ccc2c(-c3ccccc3C2)c1,0.7087295651435852 -Nc1ccc2-c3n(Cc2c1)c(=O)c1c(n3)cccc1,0.6663123965263367 -Nc1ccc(c(c1)N)/N=N/c1ccc(cc1)c1ccc(cc1)/N=N/c1c(N)c2c(cc1S(=O)(=O)O)cc(c(c2O)/N=N/c1ccccc1)S(=O)(=O)O,0.5454534888267517 -Nc1ccc2c(c1)C(=O)c1c(C2=O)cc(cc1)N,0.6129139065742493 -Nc1ccc2c(c1)[n+](C)c1c(c2)cccc1,0.7372311353683472 -Nc1ccc2c(c1)C(=O)c1c(C2=O)cccc1,0.6175529360771179 -Nc1ccc2c(c1)[n+](C)c1c(c2)ccc(c1)N,0.7629039883613586 -Nc1ccc2c(c1)CN1C(=N2)c2c(C1=O)cccc2,0.6413618326187134 -Nc1ccc2c(c1)[n+](C)c1c(c2)ccc(c1)N.Nc1ccc2c(c1)nc1c(c2)ccc(c1)N.Cl,0.740010142326355 -Nc1ccc2c(c1)[n+](C)c1c(c2)cccc1.Cl,0.7885123491287231 -Nc1ccc2c(c1)[s+]c1c(n2)ccc(c1)N.Cl,0.8007286190986633 -Nc1ccc2c(c1)[nH]c1c2cccc1,0.8229843378067017 -Nc1ccc2c(c1)c(Cl)ns2,0.6079503297805786 -Nc1ccc2c(c1)c(N)c1c(n2)cccc1,0.7900956869125366 -Nc1ccc2c(c1)[s+]c1c(n2)ccc(c1)N,0.8229859471321106 -Nc1ccc2c(c1)[o+]c1c(c2c2ccccc2C(=O)O)ccc(c1)N,0.4958469867706299 -Nc1ccc2c(c1)c1c(C)c3cnccc3c(c1[nH]2)C,0.7718033790588379 -Nc1ccc2c(c1)c1ccccc1[nH]2,0.7871519327163696 -Nc1ccc2c(c1)c1ccccc1cc2,0.8413099050521851 -Nc1ccc2c(c1)c1ccccc1n2C,0.8323731422424316 -Nc1ccc2c(c1)cc1c([n+]2C)cccc1,0.7769711017608643 -Nc1ccc2c(c1)cc1c([n+]2C)cccc1.Cl,0.7780759930610657 -Nc1ccc2c(c1)cc1c(c2)cccc1,0.7316972613334656 -Nc1ccc2c(c1)cc1c(n2)cccc1,0.7701882123947144 -Nc1ccc2c(c1)c(O)c(c(c2)S(=O)(=O)O)/N=N/c1ccc(cc1)c1ccc(cc1)/N=N/c1ccc(c(c1)C(=O)O)O,0.53363037109375 -Nc1ccc2c(c1)ccc1c2cccc1,0.8118990063667297 -Nc1ccc2c(c1)c(O)c(c(c2)S(=O)(=O)O)N=Nc1ccc(cc1)c1ccc(cc1)N=Nc1ccc(c(c1)C(=O)O)O,0.5350073575973511 -Nc1ccc2c(c1)ccc1c2ccc2c1cccc2,0.8325341939926147 -Nc1ccc2c(c1)cccc2,0.6443514823913574 -Nc1ccc2c(c1)cccn2,0.7281523942947388 -Nc1ccc2c(c1)cns2,0.6260665059089661 -Nc1ccc2c(c1)nc(c(n2)C)C,0.7055166959762573 -Nc1ccc2c(c1)nc1c(c2)ccc(c1)N,0.7559074759483337 -Nc1ccc2c(c1)nc1c(c2N)cccc1,0.8006221652030945 -Nc1ccc2c(c1)nc1c(c2)cccc1,0.7165667414665222 -Nc1ccc2c(c1)nc1c(c2)ccc(c1)N.Cl,0.7559074759483337 -Nc1ccc2c(c1)nc1c(n2)c(N)ccc1,0.7862027883529663 -Nc1ccc2c(c1)nc1c(n2)cc(cc1)N,0.7609066963195801 -Nc1ccc2c(c1)nc1c(n2)ccc(c1)N,0.7568885087966919 -Nc1ccc2c(c1)c(O)c(c(c2)S(=O)(=O)O)N=Nc1ccc(cc1)c1ccc(cc1)N=Nc1c(O)c2c(N)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O,0.5679444670677185 -Nc1ccc2c(c1)nc1c(n2)cccc1,0.8249093890190125 -Nc1ccc2c(c1)nccc2,0.7356768846511841 -Nc1ccc2c(c1)oc(=O)cc2C,0.5262430310249329 -Nc1ccc2c(c1)oc1c2cccc1,0.7654463648796082 -Nc1ccc2c(c1)oc1-c(n2)c2ccccc2c(=N)c1,0.6700888872146606 -Nc1ccc2c(c1)s[nH]c2=O,0.563307523727417 -Nc1ccc2c(c1)scn2,0.7878212928771973 -Nc1ccc2c(c1)oc1-c(c2c2ccccc2C(=O)O)ccc(=N)c1,0.4376494288444519 -Nc1ccc2c(c1/N=N/c1ccc(cc1)[N+](=O)[O-])cccc2,0.8594393730163574 -Nc1ccc2c(c1/N=N/c1ccccc1)cccc2,0.7952058911323547 -Nc1ccc2c(c1C(C)(C)C)cccc2,0.5839868187904358 -Nc1ccc2c(c1/N=N/c1ccc(cc1S(=O)(=O)O)[N+](=O)[O-])c(O)cc(c2)S(=O)(=O)O,0.6317480206489563 -Nc1ccc2c(c1N=Nc1ccc(cc1)[N+](=O)[O-])cccc2,0.7701326608657837 -Nc1ccc2c(c1)c(O)c(c(c2)S(=O)(=O)O)/N=N/c1ccc(cc1)c1ccc(cc1)/N=N/c1c(O)c2c(N)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O,0.5806476473808289 -Nc1ccc2c(c1N=Nc1ccc(cc1S(=O)(=O)O)[N+](=O)[O-])c(O)cc(c2)S(=O)(=O)O,0.6527815461158752 -Nc1ccc2c(c1N=Nc1ccccc1)cccc2,0.7560416460037231 -Nc1ccc2c(n1)[nH]c1c2cccc1,0.7520217299461365 -Nc1ccc2c(c1S(=O)(=O)O)cccc2,0.5052134394645691 -Nc1ccc2c(n1)c1ccccc1cc2,0.7661908268928528 -Nc1ccc2c(n1)cccc2,0.7124454379081726 -Nc1ccc2c(n1)n1ccccc1n2,0.7910815477371216 -Nc1ccc2c(n1)n1cccc(c1n2)C,0.6852965354919434 -Nc1ccc2c(n1)no[n+]2[O-],0.6997722387313843 -Nc1ccc2c3c1-c1ccccc1-c3ccc2,0.7752982378005981 -Nc1ccc2c(c1/N=N/c1ccc(cc1)c1ccc(cc1)/N=N/c1c(N)ccc3c1c(O)cc(c3)S(=O)(=O)O)c(O)cc(c2)S(=O)(=O)O,0.6448618173599243 -Nc1ccc2c(c1/N=N/c1ccc(cc1)c1ccc(cc1)/N=N/c1cc(c3c(c1N)cccc3)S(=O)(=O)O)c(O)cc(c2)S(=O)(=O)O,0.5880602598190308 -Nc1ccc2c3c1ccc1c3c(cc2)ccc1[N+](=O)[O-],0.967082381248474 -Nc1ccc2c3c1ccc1c3c(cc2)c2c(c1)cccc2,0.7223290205001831 -Nc1ccc2c(c1N=Nc1ccc(cc1)c1ccc(cc1)N=Nc1cc(c3c(c1N)cccc3)S(=O)(=O)O)c(O)cc(c2)S(=O)(=O)O,0.5479446649551392 -Nc1ccc2c3c1ccc1c3c(cc2)cc2c1cccc2,0.6886485815048218 -Nc1ccc2c3c1ccc1c3c(cc2)ccc1,0.8090521693229675 -Nc1cccc(c1)C(F)(F)F,0.4654244780540466 -Nc1cccc(c1)N,0.5355527997016907 -Nc1cccc(c1)Cl,0.3168230652809143 -Nc1cccc(c1)O,0.35916396975517273 -Nc1ccc2c(c1N=Nc1ccc(cc1)c1ccc(cc1)N=Nc1c(N)ccc3c1c(O)cc(c3)S(=O)(=O)O)c(O)cc(c2)S(=O)(=O)O,0.6505869030952454 -Nc1cccc(c1)S(=O)(=O)O,0.4074261784553528 -Nc1cccc(c1)c1ccccc1,0.6140661239624023 -Nc1cccc(c1)[N+](=O)[O-],0.6919018626213074 -Nc1cccc(c1C)N.Cl.Cl,0.5633691549301147 -Nc1cccc(c1C)N,0.5397712588310242 -Nc1cccc(n1)N,0.5535354018211365 -Nc1cccc2c1c(=O)[nH][nH]c2=O,0.5582479238510132 -Nc1cccc2c1C(=O)c1ccccc1C2=O,0.5692507028579712 -Nc1cccc2c1-c1ccccc1C2,0.5516171455383301 -Nc1cccc2-c3c(Cc12)cccc3,0.6058090925216675 -Nc1cccc2-c3c4c(-c12)cccc4ccc3,0.7029274702072144 -Nc1cccc2c1C(=O)c1cccc(c1C2=O)N,0.5390830039978027 -Nc1cccc2c1cc1ccccc1c2,0.7514982223510742 -Nc1cccc2c1cc1ccccc1n2,0.8328325152397156 -Nc1cccc2c1c(N)ccc2,0.5786535143852234 -Nc1cccc2c1c(N)c1c(n2)cccc1,0.7191718220710754 -Nc1cccc2c1c1ccccc1cc2,0.7835630178451538 -Nc1cccc2c1c(O)nnc2O,0.5329211950302124 -Nc1cccc2c1ccc1c2cccc1,0.8808479309082031 -Nc1cccc2c1cccc2,0.6822424530982971 -Nc1cccc2c1cccc2N,0.7034209370613098 -Nc1cccc2c1nc1cccc(c1n2)N,0.7460113763809204 -Nc1cccc2c1cccn2,0.5954197645187378 -Nc1cccc2c1nc1CCCCc1c2,0.6334737539291382 -Nc1cccc2c1nc1c(N)cccc1n2,0.745707094669342 -Nc1cccc2c1snc2,0.7896353006362915 -Nc1cccc2c1nccc2,0.6483508348464966 -Nc1cccc2c1nc1ccccc1n2,0.874598503112793 -Nc1ccccc1,0.5078455805778503 -Nc1ccccc1.Cl,0.5102224946022034 -Nc1cccc2c1snc2Cl,0.6679025888442993 -Nc1ccccc1Cl,0.6177506446838379 -Nc1ccccc1C(F)(F)F,0.4926537871360779 -Nc1ccccc1N,0.5938822031021118 -Nc1ccccc1S,0.3965733647346497 -Nc1ccccc1SCCSc1ccccc1N,0.3718406558036804 -Nc1ccccc1O,0.5405580401420593 -Nc1ccccc1SCSc1ccccc1N,0.5443161725997925 -Nc1ccccc1S(=O)(=O)O,0.4233175218105316 -Nc1ccccc1c1ccccc1,0.586557924747467 -Nc1ccccc1c1ccccc1.Cl,0.6093964576721191 -Nc1ccn(c(=O)n1)[C@@H]1C=C([C@H]([C@H]1O)O)CO,0.5197193026542664 -Nc1ccn(c(=O)n1)CC(CN=N#N)O,0.5215712785720825 -Nc1ccn(c(=O)n1)C1C=C(C(C1O)O)CO,0.5197193026542664 -Nc1ccccn1,0.3237176537513733 -Nc1ccn(c(=O)n1)[C@@H]1CC[C@@H](O1)CO,0.5241126418113708 -Nc1ccnc2c1cccc2,0.6428306698799133 -Nc1cnn(c(=O)c1Cl)c1ccccc1,0.5223051309585571 -Nc1cnc2c(c1)c1ccccc1cc2,0.7818928360939026 -Nc1cnc2c(c1)nc1n2cccc1,0.739768385887146 -Nc1cnc2c(c1)cccc2,0.6472306251525879 -Nc1cn[nH]c(=O)c1Cl,0.5157405734062195 -Nc1cnc2c(c1C)nc1n2cccc1C,0.5529010891914368 -Nc1n[nH]cn1,0.4512844979763031 -Nc1nc(N)c2c(n1)nc[nH]2,0.576882004737854 -Nc1nc(N)c2c(n1)nc(c(n2)c1ccccc1)N,0.5948917865753174 -Nc1nc(C)c2c(c1C)[nH]c1c2cccc1,0.682700514793396 -Nc1nc(N)c2c(n1)[nH]cn2,0.5486268401145935 -Nc1nc(N)nc(n1)N,0.3297382891178131 -Nc1nc(NC2CC2)nc(n1)N,0.4219020009040833 -Nc1nc(O)c2c(n1)nn[nH]2,0.44805774092674255 -Nc1nc(nc(n1)N)c1ccc(o1)[N+](=O)[O-],0.6473574638366699 -Nc1nc(nc(n1)O)NC(C)(C)C,0.3943944573402405 -Nc1nc(OCC(F)(F)F)nc(n1)N(C)C,0.2671472430229187 -Nc1nc(nc(n1)Cl)NC(C)(C)C,0.3390454351902008 -Nc1nc(N)nc(n1)Cl,0.2196045368909836 -Nc1nc2c([nH]1)cccc2,0.5224061012268066 -Nc1nc2c(n1C)cc1c(n2)nccc1,0.6454855799674988 -Nc1nc(nc2c1ncn2c1ccc(cc1)[N+](=O)[O-])c1ccc(cc1)[N+](=O)[O-],0.6884812116622925 -Nc1nc2c(n1C)ccc1c2cccn1,0.6361470818519592 -Nc1nc2c(n1C)ccc1c2ccnc1,0.6891759634017944 -Nc1nc2-c3cccnc3CCc2s1,0.7596114873886108 -Nc1nc2c(n1C)c(C)cc1c2nccn1,0.6039698719978333 -Nc1nc2c(s1)ccc1c2cccn1,0.8462737202644348 -Nc1nc2c(n1C)ccc1c2nccc1,0.6999653577804565 -Nc1nc2c(s1)cc(cc2)[N+](=O)[O-],0.903615176677704 -Nc1nc2c(n1C)ccc1c2cncc1,0.6902764439582825 -Nc1nc2c(s1)cccc2,0.7578197717666626 -Nc1nccs1,0.5238537192344666 -Nc1ncc2c(n1)nc[nH]2,0.6341745257377625 -Nc1ncnc2c1cnn2CC(CN=N#N)O,0.5966367721557617 -Nc1ncnc2c1nc(n2c1ccc(cc1)[N+](=O)[O-])c1ccc(cc1)[N+](=O)[O-],0.6959595084190369 -Nc1ncn[nH]1,0.3293573260307312 -Nc1ncnc2c1nc[nH]2,0.6034361720085144 -Nc1nnc(s1)S,0.2218114882707596 -Nc1ncnc2c1ncn2C,0.598149299621582 -Nc1ncnc2c1ncn2Cc1ccccc1,0.6007256507873535 -Nc1sc2c(-c3cccnc3CC2(C)C)n1,0.5680245161056519 -Nc1ncnc2c1ncn2C(c1ccccc1)c1ccccc1,0.5398982763290405 -Nc1sc2c(n1)C1CCCNC1CC2,0.5524706244468689 -Nc1sc2c(n1)c(Cl)ccc2,0.657917857170105 -Nc1sc2c(n1)c(C)ccc2,0.7513446211814879 -Nc1sc2c(n1)cc(c(c2)C)C,0.6820506453514099 -Nc1sc2c(n1)cc(c(c2)Cl)Cl,0.5745172500610352 -Nc1scc(n1)/C=C\c1ccc(o1)[N+](=O)[O-],0.6293821930885315 -Nc1scc(n1)c1ccccc1,0.6929829716682434 -Nc1scc(n1)c1ccc(o1)[N+](=O)[O-],0.8213862180709839 -Nc1scc(n1)c1ccc(s1)[N+](=O)[O-],0.7073952555656433 -Nc1scc(n1)c1cccnc1,0.4510785043239594 -Nn1c2ccncc2c2c1cccc2,0.900192141532898 -Nc1scc(n1)c1scc(c1)[N+](=O)[O-],0.7832509875297546 -O(CC1OC1)CCOCC1OC1,0.6378729939460754 -O(CC1CCC2C(C1)O2)CC1CCC2C(C1)O2,0.4709762930870056 -Nn1nnc2-c(c1O)nc1c2cccc1,0.6166516542434692 -O(C[C@@H]1OC1)CCOC[C@@H]1OC1,0.5118988752365112 -O(Cc1ccccc1)CC1OC1,0.5162293314933777 -O(Cc1ccccc1)C[C@H]1OC1,0.537003219127655 -O(Cc1cccc2c1cccc2)CC1CO1,0.7474042177200317 -O(Cc1ccccc1)Cc1ccccc1,0.5578180551528931 -O(Cc1cccc2c1cccc2)C[C@H]1CO1,0.7717993855476379 -O/N=C(/c1ccccc1)\N,0.5299938917160034 -O/N=C(/c1ccc(c(c1)O)O)\N,0.6233435273170471 -O/N=C(/c1cc(O)c(c(c1)O)O)\N,0.5750737190246582 -O/N=C(/c1ccc2c(c1)nc([nH]2)NC(=O)OC)\c1ccc(cc1)F,0.4815008640289306 -O/N=C/C1N(CCCN(C)C)C=CN1C,0.5299865007400513 -O/N=C/C(=O)Nc1ccccc1,0.5254853963851929 -O/N=C/1\C=C/C(=N/O)/C=C1,0.5972553491592407 -O/C=C\1/C[C@@]2(C)[C@H](CC1=O)CC[C@@H]1[C@@H]2CC[C@]2([C@@H]1CC[C@]2(C)O)C,0.4882975518703461 -O/N=C/C1N(CCC[n+]2ccc(cc2)C(=O)N)C=CN1C,0.4373707175254822 -O/N=C/C1N(CCN(C)C)C=CN1C,0.6201339960098267 -O/N=C/C1N(CCS(=O)(=O)C)C=CN1C,0.6105948686599731 -O/N=C/C=N/O,0.5671519041061401 -O/N=C/C1N(COCCC([N+](=O)[O-])(C)C)C=CN1C,0.5675777196884155 -O/N=C/c1cccc[n+]1COC[n+]1ccc(cc1)C(=O)N.Cl.Cl,0.4339730143547058 -O/N=C/c1cccc[n+]1COC[n+]1ccc(cc1)C(=O)N,0.3646458089351654 -O/N=C/c1ccccn1,0.5500524044036865 -Nc1ncnc2c1ncn2C(c1ccccc1)(c1ccccc1)c1ccccc1,0.5668237805366516 -O/N=C/c1ccncc1,0.4883763194084168 -O1C(C1c1ccccc1)c1ccccc1,0.4445328116416931 -O/N=c/1\[nH]c2c(n1C)ccc1c2cccn1,0.7507864236831665 -O/N=c\1/[nH]c2c(n1C)ccc1c2nc(C)cn1,0.7263270616531372 -O/N=c/1\[nH]c2c(n1C)cc(cn2)c1ccccc1,0.5693632960319519 -O1C2C1C1N=NC2C2C1O2,0.7319811582565308 -O1C=CC2C(C=C1)O2,0.5534526109695435 -O1C2C1c1cscc1-c1c2csc1,0.5861480236053467 -O1CC1COc1ccc(cc1)Cc1ccccc1,0.4584911465644837 -O1CCN(CC1)SSN1CCOCC1,0.4850042760372162 -O1CC1Cc1ccccc1,0.4618934094905853 -O1CCC2(CC1)CO2,0.5085262060165405 -O1CCOCC1,0.4588859677314758 -O1CCN(CC1)Sc1nc2c(s1)cccc2,0.6765556335449219 -O1CC1Oc1ccccc1,0.4255621433258057 -O1C2C1c1cccc3c1-c1c2cccc1C1C3O1,0.7444112300872803 -O1CCOCCOCCOCC1,0.4543599188327789 -O1CCOCCOCCOCCOCC1,0.4849253296852112 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-OC(=O)c1ccccc1c1c2cc(Br)c(c(c2oc2-c1cc(Br)c(=O)c2Br)Br)O,0.2046254426240921 -OC(=O)c1ccccc1c1c2cc(Br)c(c(c2oc2-c1cc(Br)c(=O)c2Br)Br)O.[Na+].[Na+],0.30162495374679565 -OC(=O)c1cnc2c(c1)ccc(c2C(=O)O)Cl,0.3253929018974304 -OC(=O)c1cn2C(C)COc3c2c(c1=O)cc(c3C1(N)CC1)F,0.4493891298770905 -OC(=O)c1cnccc1C(F)(F)F,0.17224666476249695 -OC(=O)c1cn2[C@@H](C)COc3c2c(c1=O)cc(c3C1(N)CC1)F,0.4493891298770905 -OC(=O)c1nc(Cl)c(c(c1Cl)N)Cl,0.21967773139476776 -OC(=O)c1n[nH]c(n1)S(=O)(=O)N,0.36459630727767933 -OC(=O)c1ncc(cc1Cl)C(F)(F)F,0.32511216402053833 -OC(=S)c1ccccc1,0.39381951093673706 -OC(=O)c1nn(c(c1S(=O)C(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F,0.477388083934784 -OC(=O)c1sccc1S(=O)(=O)N,0.4696864485740662 -OC(=O)c1oc(c(c1c1ccccc1)c1ccccc1)[N+](=O)[O-],0.4276864528656006 -OC(C(=O)O)Cn1cncn1,0.287791907787323 -OC(=O)c1occc(=O)c1O,0.4418959617614746 -OC(=O)c1occ(c1c1ccccc1)c1ccccc1,0.28215697407722473 -OC(C(Cl)(Cl)Cl)O,0.3708963096141815 -OC(C(Cl)(Cl)Cl)Nc1snc2c1cccc2,0.3704437017440796 -OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(cc1)Cl,0.33492618799209595 -OC(C1CO1)CO,0.4783501029014587 -OC(C(C)(C)C)C(n1cncn1)Oc1ccc(cc1)c1ccccc1,0.30626681447029114 -OC(C(C)(C)C)C(n1ncnc1)Cc1ccc(cc1)Cl,0.2952607870101929 -OC(C(Cl)(Cl)Cl)(c1ccc(cc1)Cl)c1ccc(cc1)Cl,0.486073911190033 -OC(C(F)(F)F)C(F)(F)F,0.4504149854183197 -OC(CO)CN=N#N,0.6384769678115845 -OC(CN=N#N)Cn1ccc(=O)[nH]c1=O,0.4791023135185242 -OC(CN=[N+]=[N-])CN=[N+]=[N-],0.5152902007102966 -OC(COC(=O)C(=C)C)COc1ccc(cc1)C(c1ccc(cc1)OCC(COC(=O)C(=C)C)O)(C)C,0.3335537314414978 -OC(CN=N#N)CN=N#N,0.5594124794006348 -OC(CNC(C)(C)C)COc1ccc(cc1C(=O)C)NC(=O)NC(C)(C)C,0.3618480563163757 -OC(COc1ccc(cc1)CC(=O)N)CNC(C)C,0.36853933334350586 -OC(COc1ccc(cc1C(=O)C)N)CNC(C)(C)C,0.3796868622303009 -OC(COc1ccc(cc1)NC(=O)C)CNC(C)C,0.2880846858024597 -OC(COc1cccc2c1C=CC2)CNC(C)C,0.5033498406410217 -OC(COc1cccc2c1CC(O)C(C2)O)CNC(C)(C)C,0.4028504490852356 -OC(COc1cccc2c1OCC(C2)O)CNC(C)C,0.4044867157936096 -OC(COc1cccc2c1cc[nH]2)CNC(C)C,0.4903840124607086 -OC(COc1ccc(cc1C1CCCC1)O)CNC(C)(C)C,0.3380188345909119 -OC(CC(CC(=O)O)O)CCn1c(C(C)C)c(c(c1c1ccc(cc1)F)c1ccccc1)C(=O)Nc1ccccc1,0.3042241930961609 -OC(COc1cccc2c1c1ccccc1[nH]2)CNC(C)C,0.5646028518676758 -OC(COc1ccc(cc1C(=O)C)NC(=O)Nc1ccc(c(c1)C(=O)C)OCC(CNC(C)(C)C)O)CNC(C)(C)C,0.3272828161716461 -OC(COc1cccc2c1cccc2)CNC(=O)C,0.46733158826828 -OC(COc1ccccc1C1CCCC1)CNC(C)(C)C,0.3363622725009918 -OC(COc1nsnc1N1CCOCC1)CNC(C)(C)C,0.3150254786014557 -OC(COc1ccccc1C1=CCCC1)CNC(C)(C)C,0.4184122085571289 -OC(COc1cccc2c1c(=O)cc(o2)C(=O)O)COc1cccc2c1c(=O)cc(o2)C(=O)O,0.40071940422058105 -OC(c1c(C)cccc1[N+](=O)[O-])O,0.5167587995529175 -OC(c1ccccc1)CN=N#N,0.6166075468063354 -OC(c1cc(Cl)c(c(c1)C(F)(F)F)N)CNC(C)(C)C,0.3540849685668945 -OC(c1ccc(cc1)CCc1ccccc1)Cn1cncc1,0.43797531723976135 -OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C1CC1,0.466624915599823 -OC/C=C(/CCC=C(C)C)\C,0.42455238103866577 -OC/C(=C(\C(=O)O)/Cl)/C(Cl)Cl,0.4165037274360657 -OC/C(=C(/CO)\Br)/Br,0.5472446680068971 -OC/C=C(\C(=O)OC)/C=C(/C=C(/C=C/C=C(/C(=O)C12OC2C(NC1=O)(O)CCO)\C)\C)\C,0.3125559389591217 -OC/C=C(\C=C/C=C(\C=C/C1=C(C)CCCC1(C)C)/C)/C,0.4338696599006653 -OC/C=C/Cl,0.5421156287193298 -OC/C=C(\CCC=C(C)C)/C,0.4989977777004242 -OC/C=C/c1ccccc1,0.6057313680648804 -OC1(Cn2ncnc2)C(=Cc2ccc(cc2)Cl)CCC1(C)C,0.4349618852138519 -OC1(Cn2ncnc2)/C(=C/c2ccc(cc2)Cl)/CCC1(C)C,0.39603331685066223 -OC1(Cn2ncnc2)C(CCC1(C)C)Cc1ccc(cc1)Cl,0.3879813551902771 -OC1=C(O)C(=O)C1=O,0.4917725920677185 -OC1=C(C)CCC1=O,0.4722525179386139 -OC1=C(C2=C(O)C(=C(C(=O)C2=O)C)O)C(=O)C(=O)C(=C1O)C,0.5101742744445801 -OC1=CC(=O)C1=O,0.4908377528190613 -OC/C=C/C1(O)CCC2C1(C)CC(c1ccc(cc1)N(C)C)C1=C3CCC(=O)C=C3CCC21,0.5645037889480591 -OC1=CC(=O)C1=O.[Na+],0.5317900180816649 -OC1=NS(=O)(=O)c2c1cccc2.[Na+],0.4419496953487396 -OC/C=C\[C@]1(O)CC[C@@H]2[C@]1(C)C[C@@H](c1ccc(cc1)N(C)C)C1=C3CCC(=O)C=C3CC[C@@H]21,0.5464463233947754 -OC1C(O)C(O)COC1(O)CNc1ccc(cc1)C,0.441398561000824 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-OC1C(O)c2ccc(c3c2c2c1cccc2c1c3cccc1)[N+](=O)[O-],0.6983969807624817 -OC1C(O)c2cccc3c2c2c1ccc(c2cc3)[N+](=O)[O-],0.7491925954818726 -OC1C(O)c2cccc3c2c2c1cccc2cc3,0.6158183217048645 -OC1C(O)c2ccc3c4c2c2=C1c1ccccc1-c2cc4ccc3,0.6170815229415894 -OC1C2=C(C)C3(C(C(=O)C2=CC1(C)C)(C)O)CC3,0.4757325649261474 -OC1C2OC2c2c(C1O)c1ccc3c(c1cc2)cccc3,0.6941744685173035 -OC1C2OC2c2c(C1O)c1cccnc1cc2,0.706476092338562 -OC1C2OC2C2=C(C1O)C=CC1C2c2cccc3c2c1ccc3,0.6970670819282532 -OC1C2OC2c2c(C1O)ccc1c2c(C)c(C)c2c1cccc2,0.6573342680931091 -OC1C2OC2c2c(C1O)cc1c(c2)c2ccccc2c2c1cccc2,0.70637446641922 -OC1C2OC2c2c(C1O)ccc1c2c(C)cc2c1CCC2,0.6312795281410217 -OC1C2OC2c2c(C1O)cc1c3c2ccc2c3c(cc1)ccc2,0.7799463868141174 -OC1C2OC2c2c(C1O)ccc1c2c(C)cc2c1cc(cc2)C,0.6721133589744568 -OC1C2OC2c2c(C1O)ccc1c2c(C)cc2c1cccc2,0.6257923245429993 -OC1C2OC2c2c(C1O)ccc1c2c(C)cc2c1cccc2C,0.6255063414573669 -OC1C2OC2c2c(C1O)ccc1c2c(C)ccc1C,0.6029037237167358 -OC1C2OC2c2c(C1O)ccc1c2c2ccc3c(c2cc1)cccc3,0.725770115852356 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-OC1C=CC2C34C1Oc1c4c(CC2N(CC3)C)ccc1O,0.5654028654098511 -OC1C=Cc2c(C1O)c(Cl)c1c(c2)c2ccccc2cc1,0.5524605512619019 -OC1C=Cc2c(C1O)c(Br)c1c(c2)c2ccccc2cc1,0.6703907251358032 -OC1C=Cc2c(C1O)c([N+](=O)[O-])c1c(c2)c2ccccc2cc1,0.678135871887207 -OC1C=Cc2c(C1O)c([N+](=O)[O-])c1c(c2)cccc1,0.6963141560554504 -OC1C=Cc2c(C1O)c1cc3ccc4c(c3cc1cc2)cccc4,0.7859132885932922 -OC1C2C(=O)C3=C(O)c4c(C(=O)C53C1C1C32C(=C(O)c2c(C3=O)cc(cc2O)C)C(=O)C5C1O)cc(cc4O)C,0.5141900777816772 -OC1C=Cc2c(C1O)c1cc3ccccc3cc1c1c2cccc1,0.7059289216995239 -OC1C=Cc2c(C1O)c1ccccc1c1c2cc2ccccc2c1,0.6502938866615295 -OC1C=Cc2c(C1O)c1ccc3c4c1c(c2)ccc4ccc3[N+](=O)[O-],0.6972321271896362 -OC1C=Cc2c(C1O)c1sc3c(c1cc2)cccc3,0.643059492111206 -OC1C=Cc2c(C1O)c1cccnc1cc2,0.608378529548645 -OC1C=Cc2c(C1O)cc1c(c2)c(C)cc2c1cccc2,0.6197435855865479 -OC1C=Cc2c(C1O)cc(c1c2cc2ccccc2c1)C,0.6619701385498047 -OC1C=Cc2c(C1O)cc1c(c2)c(C)cc2c1cccc2O,0.5842386484146118 -OC1C=Cc2c(C1O)cc1c(c2)cc(cc1)[N+](=O)[O-],0.633979082107544 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-[O-][N+](=O)c1cnc2c(c1C)nc1n2cccc1C,0.8123803138732909 -[O-][N+](=O)c1nc2c([nH]1)cccc2,0.8130073547363281 -[O-][N+](=O)c1nc[nH]c1c1ccccc1,0.5957528352737427 -[O-][N+](=O)c1nc2c(n1C)cccc2,0.6792961359024048 -[O-][N+](=O)c1nccn1C,0.5347072482109071 -[O-][N+]1(C)CCC(=CC1)c1ccccc1,0.5128331184387207 -[O-][N+](=O)c1ncc2c(c1)c1cc(cc(c1[nH]2)[N+](=O)[O-])[N+](=O)[O-],0.9036937952041626 -[O-][N+](=O)c1scc(c1)C(=O)N,0.5452861189842224 -[O-][N+](=O)c1nc2c(n1C)ccc1c2cccn1,0.7464312314987183 -[O-][N+](=O)c1oc(c(c1Cl)Cl)C(=O)C,0.3228243291378021 -[O-][N+](=O)c1nccn1C[C@H](COC)O,0.4263457655906677 -[O-][P+](=O)OCC.[O-][P+](=O)OCC.[O-][P+](=O)OCC.[Al+3],0.4460967183113098 -[O-][N@@+]1(C)CCC[C@@H]1c1cccnc1,0.2744254767894745 -[O-][n+]1ccc(cc1)[N+](=O)[O-],0.5445337891578674 -[O-][n+]1cccc(c1)C1CCC(=O)N1C,0.20889294147491452 -[O-][n+]1c[nH]c2-c(c1N)ncn2,0.7367097735404968 -[O-][n+]1c2ccccc2nc2c1cccc2,0.8485996127128601 -[O-][n+]1cccc2c1C1OC1C=C2,0.4947076439857483 -[O-][n+]1cccc2c1cccc2,0.6983988881111145 -[O-][n+]1cccc2c1C=CC1C2O1,0.5468961596488953 -[O-][n+]1cccc2c1c(O)ccc2,0.5703738331794739 -[O-][N+](=O)c1oc2c(c1)cc1c3c2ccc2c3c(cc1)ccc2,0.9323837161064148 -[O-][n+]1c2ccc3c(c2cc2c1ccc1c2cccc1)cccc3,0.7110716104507446 -[O-][n+]1c2ccc3c4c2c(c2c1cccc2)ccc4ccc3,0.6234033703804016 -[O-][n+]1ncc2c(c1)cccn2,0.6897268295288086 -[O-][n+]1cnc2c(c1N)[nH]cn2,0.61797696352005 -[O-][n+]1ncc2c(c1)cccc2,0.6886262893676758 -[O-][n+]1cnc2c(c1N)ncn2Cc1ccccc1,0.7097953557968141 -[O-]c1ccc(cc1)[N+](=O)[O-].[Na+],0.597611129283905 -[S-]C(=S)NC.[Na+],0.4643097817897797 -[O-][n+]1ncc2c(c1)nccc2,0.6758519411087036 -[O-][n+]1ncc2c(c1)ccnc2,0.5934464931488037 -[O-]c1cccc2c1nccc2.[O-]c1cccc2c1nccc2.[Cu+2],0.6095272898674011 -[O-][n+]1cnc2c(c1N)ncn2C(c1ccccc1)c1ccccc1,0.7147453427314758 -c1cc(OCC2CO2)c2c(c1)cns2,0.6223626136779785 -c1cc(OC[C@H]2CO2)c2c(c1)cns2,0.5314310789108276 -c1cc(cc(c1)c1ccccc1)c1ccccc1,0.5516376495361328 -c1cc(/C=C/c2ccccc2)cc(c1)/C=C/c1ccccc1,0.6409955024719238 -c1cc2C=Cc3c2c(c1)cc1c3c2ccccc2cc1,0.8655136823654175 -c1cc2[C@@H]3N[C@@H]3c3c2c(c1)ccc3,0.9155624508857728 -c1cc2C3OC3c3c2c(c1)c1cc2ccccc2cc1c3,0.7901167869567871 -c1cc2Cc3c4c2c(c1)ccc4ccc3,0.8153172731399536 -c1cc2C=Cc3c2c(c1)cc1c3ccc2c1C=C[C@@H]1[C@H]2O1,0.8579413294792175 -c1cc2[C@@H]3O[C@@H]3c3c2c(c1)c1cc2ccccc2cc1c3,0.8252769708633423 -c1cc2CCc3c4c2c(c1)cc1c4c2c(c3)cccc2cc1,0.6841123700141907 -c1cc2ccc3c4c2c(c1)cc1c4c(C=C1)cc3,0.9072749018669128 -c1cc2cc3ccc4c(c3c3c2c(c1)C1OC31)cccc4,0.7226158380508423 -c1cc2cc3ccc4c(c3c3c2c(c1)[C@H]1O[C@@H]31)cccc4,0.8015609979629517 -c1cc2ccc3c4c2c(c1)c1cccc2c1c4c(cc3)cc2,0.7928786277770996 -c1cc2ccc3c4c2c(c1)cc1c4c2c(c3)cccc2cc1,0.7057520151138306 -c1cc2ccc3c4c2c(c1)ccc4cc1c3[C@@H]2O[C@@H]2C=C1,0.8160901069641113 -c1cc2ccc3c4c2c(c1)ccc4cc1c3cco1,0.7395550012588501 -c1cc2ccc3c4c2c(c1)ccc4cc1c3C=C[C@@H]2[C@H]1O2,0.7737170457839966 -c1cc2ccc3c4c2c(c1)ccc4cc1c3occ1,0.9154731035232544 -c1cc2ccc3c4c2c(c1)ccc4c1c2c3cccc2C=C1,0.7837433815002441 -c1cc2ccc3c4c2c(c1)ccc4cc1c3[C@@H]2O[C@@H]2CC1,0.7164484262466431 -c1cc2ccc3c4c2c(c1)ccc4ccc3,0.7871654033660889 -c1cc2ccc3c4c2c(c1)ccc4cc1c3CC[C@@H]2[C@H]1O2,0.7813119888305664 -[O-][n+]1cnc2c(c1N)ncn2C(c1ccccc1)(c1ccccc1)c1ccccc1,0.6176676750183105 -c1cc2ccc3c4c2c(c1)ccc4cnc3,0.8256403803825378 -c1cc2ccc3c4c2c(c1)ccc4ccc3[C@H]1OC1,0.7645469903945923 -c1cc2cccc3c2c(c1)CC3,0.7778654694557191 -c1cc2ccc3c4c2c(n1)ccc4ccc3,0.7159663438796997 -c1cc2ccc3c4c2c(c1)cnc4ccc3,0.7352957129478455 -c1ccc(cc1)/N=N/c1ccccc1,0.5476222634315491 -c1cc[n+]2c(-c3cccc[n+]3CC2)c1,0.6104961037635803 -c1ccc(cc1)/C=N/c1snc2c1cccc2,0.6194640398025513 -c1ccc(cc1)/C=C/c1ccccc1,0.6104252934455872 -c1cc2ccc3c4c2c(c1)ccc4nc1c3cccc1,0.7743930220603943 -c1cc2cccc3c2c(c1)c1cccc2c1c3ccc2,0.7829285264015198 -c1ccc(cc1)C(c1ccccc1)c1ccccc1,0.5077846646308899 -c1ccc(cc1)CN1CCN=N1,0.9307022094726562 -c1ccc(cc1)Cc1ccc(cc1)C[C@H]1CO1,0.5585345029830933 -c1ccc(cc1)CNc1[nH]cnc2-c1ncn2,0.4604201316833496 -c1ccc(cc1)CNc1ncnc2c1[nH]cn2,0.5551879405975342 -c1ccc(cc1)Cc1ccccc1OC[C@H]1CO1,0.4610451757907867 -c1ccc(cc1)Cn1cncc1,0.6885573267936707 -c1ccc(cc1)Cc1ccccc1OCC1CO1,0.446871280670166 -c1ccc(cc1)CN1C2C1c1ccccc1-c1c2cccc1,0.7580784559249878 -c1ccc(cc1)CN1[C@@H]2[C@H]1c1ccccc1-c1c2cccc1,0.7540315389633179 -c1ccc(cc1)N/N=N/c1ccccc1,0.5422559976577759 -c1ccc(cc1)N=Nc1ccccc1,0.6052635908126831 -c1ccc(cc1)N(c1ccccc1)c1ccccc1,0.4005446434020996 -c1ccc(cc1)Nc1ccccc1,0.618150532245636 -c1ccc(cc1)NNc1ccccc1,0.5467211604118347 -c1ccc(cc1)Nc1cccc2c1cccc2,0.5764342546463013 -c1ccc(cc1)NN=Nc1ccccc1,0.5867853164672852 -c1ccc(cc1)Nc1ccc2c(c1)cccc2,0.720310628414154 -c1ccc(cc1)Nc1ccc(cc1)Nc1ccccc1,0.7263506650924683 -c1cc2ccc3c4c2c2c1ccc1c2c2c4c(cc3)ccc2cc1,0.8255387544631958 -c1ccc(cc1)[Se][Se]c1ccccc1,0.4474762976169586 -c1ccc(cc1)Oc1ccccc1,0.3973234295845032 -c1ccc(cc1)P(c1ccccc1)c1ccccc1,0.5872563123703003 -c1ccc(cc1)c1ccc(cc1)CC1CO1,0.5626064538955688 -c1ccc(cc1)c1ccc(cc1)C[C@H]1CO1,0.5115227103233337 -c1ccc(cc1)c1ccc(cc1)OCC1OC1,0.5886860489845276 -c1ccc(cc1)c1ccc(cc1)CC[C@@H]1OC1,0.55599045753479 -c1ccc(cc1)OP(Oc1ccccc1)Oc1ccccc1,0.3798865675926209 -c1ccc(cc1)c1ccc(cc1)OC[C@@H]1OC1,0.6142338514328003 -c1ccc(cc1)c1ccccc1,0.5979033708572388 -c1ccc(cc1)c1ccccc1OCC1CO1,0.6409235596656799 -c1ccc(cc1)c1ccc(cc1)c1ccccc1,0.6359947919845581 -c1ccc(cc1)c1ccccc1OC[C@H]1CO1,0.5631896257400513 -c1ccc(cc1)c1ccccc1c1ccccc1,0.6052445769309998 -c1ccc(nc1)c1cccnc1,0.30633097887039185 -c1ccc(nc1)c1ccccn1,0.5547850728034973 -c1ccc(nc1)c1cccc(n1)c1ccccn1,0.348496288061142 -c1ccc(cc1)c1nc2c(o1)cccc2,0.6038618683815002 -c1ccc2-c3c(Cc2c1)cccc3,0.6908046007156372 -c1ccc(cc1)Oc1ccc(cc1)/C=N/N1N=Nc2c(C1)[nH]c1c2cccc1,0.8256216049194336 -c1ccc2-c3c(Cc2c1)ccc1c3c2ccccc2cc1,0.7780241966247559 -c1ccc(cc1)c1nc(c([nH]1)c1ccccc1)c1ccccc1,0.3608415424823761 -c1ccc2-c3c([C@H]4[C@@H](c2c1)N4)ccc1c3cccc1,0.8414396047592163 -c1ccc2-c3c([C@@H]4[C@H](c2c1)N4)c1ccccc1c1c3cccc1,0.8414978981018066 -c1ccc2-c3c([C@H]4[C@@H](c2c1)O4)ccc1c3cccc1,0.7203706502914429 -c1ccc2-c3c([C@@H]4[C@H](c2c1)O4)c1ccccc1c1c3cccc1,0.7276184558868408 -c1ccc2-c3c4c(-c2c1)c1ccccc1cc4ccc3,0.8164502382278442 -c1ccc2-c3c4c(-c2c1)c1ccccc1cc4c1c(c3)cccc1,0.7816654443740845 -c1ccc2-c3c4c(-c2c1)cccc4ccc3,0.7413134574890137 -c1ccc2-c3c4c(-c2c1)cc1cccc2c1c4c(cc3)cc2,0.7692080736160278 -c1ccc2-c3c4c(-c2c1)ccc1c4c(cc3)C=C1,0.7109485864639282 -c1ccc2-c3c4c(-c2c1)cc1ccccc1c4ccc3,0.7753506898880005 -c1ccc(cc1)O[Si](Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1,0.4401934742927551 -c1ccc2-c3c4c(-c2c1)cc1cccc2c1c4c(cc3)C1C2O1,0.9307293891906738 -c1ccc2-c3c4c(-c2c1)cc1cccc2c1c4c(cc3)[C@@H]1[C@H]2O1,0.8807041049003601 -c1ccc2-c3cc4c(nc3C3C(c2c1)O3)ccc1c4cccc1,0.7094162702560425 -c1ccc2-c3cc4ccc5c(c4cc3[C@@H]3[C@H](c2c1)N3)cccc5,0.8023689389228821 -c1ccc2-c3c4c(-c2c1)nc1ccccc1c4c1c(n3)cccc1,0.5956622362136841 -c1ccc2-c3cc4ccccc4cc3C3C(c2c1)N3,0.9050071835517884 -c1ccc2-c3cc4ccccc4cc3C3C(c2c1)O3,0.7476094961166382 -c1ccc2-c3cc4ccc5c(c4cc3C3C(c2c1)N3)cccc5,0.8023689389228821 -c1ccc2-c3cc4ccccc4cc3[C@@H]3[C@H](c2c1)N3,0.8501043319702148 -c1ccc2-c3cc4ccccc4cc3[C@@H]3[C@H](c2c1)O3,0.8878218531608582 -c1ccc2-c3cc4ccc5c(c4cc3[C@@H]3[C@H](c2c1)O3)cccc5,0.8741105198860168 -c1ccc2-c3ccc4c(c3[C@@H]3[C@H](c2c1)O3)cccc4,0.5415164828300476 -c1ccc2-c3ccc4c(c3C3C(c2c1)O3)cccc4,0.5761235952377319 -c1ccc2-c3ncsc3CCc2n1,0.6381738185882568 -c1ccc2-c3ccc4c(c3[C@@H]3[C@H](c2c1)N3)cccc4,0.8825345039367676 -c1ccc2c(-c3ccccc3C3C2N3)c1,0.7030373811721802 -c1ccc2c(-c3ccccc3C3C2O3)c1,0.7005034685134888 -c1ccc2c(-c3ccccc3[C@@H]3[C@H]2N3)c1,0.6958690881729126 -c1ccc2c(-c3ccccc3[C@@H]3[C@H]2O3)c1,0.748846709728241 -c1ccc2c(-c3ccc4c(c3C2)c2ccccc2cc4)c1,0.7989591956138611 -c1ccc2c(c1)Sc1c(O2)cccc1,0.5533272624015808 -c1ccc2c(c1)Sc1c(N2)cccc1,0.7052705883979797 -c1ccc2c(c1)Oc1c(O2)cccc1,0.6402343511581421 -c1ccc2c(-c3cc4C5NC5c5c(-c4cc3C3C2N3)cccc5)c1,0.7053555250167847 -c1ccc2c(-c3cc4C5OC5c5c(-c4cc3C3C2O3)cccc5)c1,0.8127633333206177 -c1ccc2c(c1)[nH]cn2,0.5696372985839844 -c1ccc2c(c1)[nH]cc2,0.6842902898788452 -c1ccc2c(c1)[nH]nn2,0.797317385673523 -c1ccc2c(c1)[nH]c1c2ccnc1,0.6586782336235046 -c1ccc2c(c1)c(CCC1CO1)ccc2,0.7566456794738771 -c1ccc2c(-c3cc4[C@@H]5N[C@@H]5c5c(-c4cc3[C@@H]3[C@H]2N3)cccc5)c1,0.7242461442947388 -c1ccc2c(c1)C1=C3OC3=C3C1C(=c1ccccc1=C3)C2,0.6308481693267822 -c1ccc2c(c1)c(OC[C@H]1CO1)ccc2,0.7021428942680359 -c1ccc2c(c1)Cc1c(C2)c2ccccc2c2c1cccc2,0.8546396493911743 -c1ccc2c(c1)c(CC[C@H]1CO1)ccc2,0.7638854384422302 -c1ccc2c(c1)c(OCC1CO1)ns2,0.6584340333938599 -c1ccc2c(c1)c(OCC1CO1)ccc2,0.6675994992256165 -c1ccc2c(c1)c(ccc2)CC1CO1,0.7461005449295044 -c1ccc2c(c1)c(OC[C@H]1CO1)ns2,0.6262796521186829 -c1ccc2c(c1)c(ccc2)C[C@H]1CO1,0.7582055926322937 -c1ccc2c(c1)c1c(cn2)cnc2c1cccc2,0.6383014917373657 -c1ccc2c(c1)c1cc3c(cc1cc2)ccc1c3cncc1,0.7897347211837769 -c1ccc2c(c1)c1cc3C=Cc4c3c(c1cc2)ccc4,0.8493170738220215 -c1ccc2c(c1)c1cc3ccc4c(c3cc1cc2)cncc4,0.7752205133438109 -c1ccc2c(c1)c1Cc3ccc4c(c3Cc1cc2)cccc4,0.9047710299491882 -c1ccc2c(c1)c1cc3ccc4c(c3cc1cc2)cccc4,0.854725182056427 -c1ccc2c(c1)c1cc3ccc4c(c3nc1cc2)cccc4,0.7201244235038757 -c1ccc2c(c1)c1ccc3c(c1cc2)cccc3,0.7594282031059265 -c1ccc2c(c1)c1c3ccccc3c3c4c1c(c2)ccc4ccc3,0.8107978105545044 -c1ccc2c(c1)c1ccc3c(c1cc2)ccc1c3cccc1,0.8080174326896667 -c1ccc2c(c1)c1ccc3c(c1cc2)cccn3,0.7553006410598755 -c1ccc2c(c1)c1ccc3c(c1cc2)nccc3,0.7189525365829468 -c1ccc2c(c1)c1ccc3c4c1c(c2)Cc4ccc3,0.7972596287727356 -c1ccc2c(c1)c1ccc3c4c1c(c2)[C@H]1N[C@H]1c4ccc3,0.8292065858840942 -c1ccc2c(c1)c1ccc3c4c1c(c2)C1OC1c4ccc3,0.8179193735122681 -c1ccc2c(c1)c1ccc3c4c1c(c2)C1NC1c4ccc3,0.7409375309944153 -c1ccc2c(c1)c1ccc3c4c1c(c2)ccc4cc1c3cccc1,0.7584266066551208 -c1ccc2c(c1)c1ccc3c4c1c(c2)sc4ccc3,0.8010240793228149 -c1ccc2c(c1)c1ccc3c4c1c(c2)ccc4ccc3,0.8080748319625854 -c1ccc2c(c1)c1ccc3c4c1c(c2)[C@H]1O[C@H]1c4ccc3,0.7461088299751282 -c1ccc2c(c1)c1ccc3c4c1c(c2)c1ccccc1c4ccc3,0.7183420658111572 -c1ccc2c(c1)c1ccccc1c1c2cccc1,0.7525628805160522 -c1ccc2c(c1)c1sc3c(c1cc2)cccc3,0.7026801109313965 -c1ccc2c(c1)c1ccccc1cc2,0.835220992565155 -c1ccc2c(c1)cc(c1c2cccc1)[C@@H]1CO1,0.7331095933914185 -c1ccc2c(c1)cc(cc2)[C@@H]1CO1,0.7772066593170166 -c1ccc2c(c1)cc(cc2)OCC1CO1,0.7545087933540344 -c1ccc2c(c1)cc(cc2)OC[C@H]1CO1,0.7545087933540344 -c1ccc2c(c1)c1cccc3c1c1c2cccc1cc3,0.823818564414978 -c1ccc2c(c1)c1ccc3c4c1c1c2cccc1cc4C=C3,0.7823076248168945 -c1ccc2c(c1)cc1c(c2)c2Oc2c2c1cccc2,0.857425332069397 -c1ccc2c(c1)cc1-c3cccc4c3c(-c1c2)ccc4,0.7786715626716614 -c1ccc2c(c1)cc1c(c2)c2ncccc2cc1,0.7279737591743469 -c1ccc2c(c1)cc1c(c2)c2cnccc2cc1,0.7524311542510986 -c1ccc2c(c1)cc1c(c2)c2ccc3c(c2cc1)cccc3,0.8943831324577332 -c1ccc2c(c1)cc1c(c2)cc2c(c1)cccc2,0.7200098633766174 -c1ccc2c(c1)cc1c(c2)c2ccccc2c2c1cccc2,0.6687417030334473 -c1ccc2c(c1)cc(cc2)Nc1ccc(cc1)Nc1ccc2c(c1)cccc2,0.6730349063873291 -c1ccc2c(c1)cc1c(c2)cc2c3c1C=Cc3ccc2,0.8784738779067993 -c1ccc2c(c1)cc1c(c2[C@@H]2CO2)cccc1,0.8060108423233032 -c1ccc2c(c1)cc1c(c2)cccc1,0.7674432992935181 -c1ccc2c(c1)cc1c(c2)ccc2c1cccc2,0.8060039281845093 -c1ccc2c(c1)cc1c(c2[C@@H]2CO2)ccc2c1cccc2,0.7674852013587952 -c1ccc2c(c1)cc1c3c2C=Cc3c2c(c1)cccc2,0.8039675951004028 -c1ccc2c(c1)cc1c3c2C=Cc3ccc1,0.8623484373092651 -c1ccc2c(c1)cc1c3c2cccc3C=C1,0.9156281352043152 -c1ccc2c(c1)cc1c3c2cnc2c3c(cc1)ccc2,0.7042042016983032 -c1ccc2c(c1)ccc1c2c2CCCc2cc1,0.8324047327041626 -c1ccc2c(c1)cc1c3c2[C@@H]2O[C@@H]2c2c3c(cc1)ccc2,0.7829750180244446 -c1ccc2c(c1)ccc1c2c2C=CCc2cc1,0.7988568544387817 -c1ccc2c(c1)ccc1-c3c4c(-c21)cccc4ccc3,0.8533192873001099 -c1ccc2c(c1)ccc1c2c2c([nH]1)ccc1c2cccc1,0.7176990509033203 -c1ccc2c(c1)ccc1c2cc([C@H]2OC2)c2c1cccc2,0.7458482980728149 -c1ccc2c(c1)cc1c3c2[C@H]2O[C@H]2c3cc2c1cccc2,0.7431037425994873 -c1ccc2c(c1)ccc1c2cc2c(c1)ccc1c2cccc1,0.8069813847541809 -c1ccc2c(c1)ccc1c2cc2cccc3c2c1C=C3,0.7470216155052185 -c1ccc2c(c1)ccc1c2cc2cccc3c2c1C1OC31,0.7559496760368347 -c1ccc2c(c1)ccc1c2cc2c(n1)ccc1c2cccc1,0.6361129879951477 -c1ccc2c(c1)ccc1c2ccc2c1c1ccccc1cc2,0.7649523019790649 -c1ccc2c(c1)cccc2,0.7856017351150513 -c1ccc2c(c1)ccc1c2cc2cccc3c2c1[C@@H]1O[C@H]31,0.7736116647720337 -c1ccc2c(c1)ccc1c2cccn1,0.7640950083732605 -c1ccc2c(c1)cnc1c2cccc1,0.7735159397125244 -c1ccc2c(c1)ccc1c2nccc1,0.7051781415939331 -c1ccc2c(c1)ccc1c2ccc2c1ccnc2,0.936682105064392 -c1ccc2c(c1)cnnc2,0.6888280510902405 -c1ccc2c(c1)cncc2,0.6445072293281555 -c1ccc2c(c1)ccc1c2nc2c(c1)ccc1c2cccc1,0.7572952508926392 -c1ccc2c(c1)nccc2,0.6807615756988525 -c1ccc2c(c1)nc1c(c2)cccc1,0.8622833490371704 -c1ccc2c(c1)occ2,0.6729393005371094 -c1ccc2c(c1)oc1c2cccc1,0.7134968638420105 -c1ccc2c(c1)nccn2,0.6133255958557129 -c1ccc2c(c1)snc2,0.7601378560066223 -c1ccc2c(c1)nc1-c3cccc4c3c(-c1c2)ccc4,0.751191258430481 -c1ccc2c(n1)C1OC1C1C2O1,0.4889532625675202 -c1ccc2c(c1)scn2,0.6817448735237122 -c1ccc2c(n1)c1[nH]ccc1cc2,0.7727627158164978 -c1ccc2c(c1)nc1c(c2)c2ccccc2c2c1cccc2,0.6704425215721129 -c1ccc2c(n1)[C@@H]1O[C@@H]1[C@@H]1[C@H]2O1,0.544280469417572 -c1ccc2c(n1)c1CCC3C(c1cc2)O3,0.8701408505439758 -c1ccc2c(c1)sc(n2)SSc1nc2c(s1)cccc2,0.5739088654518127 -c1ccc2c(n1)c1c(cc2)CCC2C1O2,0.612563967704773 -c1ccc2c(n1)c1c(cc2)CC[C@H]2[C@@H]1O2,0.6351373791694641 -c1ccc2c(n1)c1ncccc1cc2,0.7751394510269165 -c1ccc2c(n1)c1ccc3c(c1cc2)cccn3,0.708756685256958 -c1ccc[nH]1,0.4219730794429779 -c1ccccc1,0.5440791249275208 -c1ccc2c(n1)cnnc2,0.6028992533683777 -c1ccc2c(n1)c1ccc3c(c1cc2)nccc3,0.728080153465271 -c1cccs1,0.3648841977119446 -c1cccnc1,0.4673921167850494 -c1cnc2c(c1)C1OC1C=C2,0.7843122482299805 -c1cnc2c(c1)C1OC1CC2,0.5587465167045593 -c1ccco1,0.34776997566223145 -c1cnc2c(c1)CCC1C2O1,0.4372815191745758 -c1cnc2c(c1)C=C[C@H]1[C@@H]2O1,0.4912796914577484 -c1cnc2c(c1)c1c(cc2)CCC2C1O2,0.6733260154724121 -c1cnc2c(c1)c1CCC3C(c1cc2)O3,0.7368077039718628 -c1cnc2c(c1)ccc1c2cccn1,0.6489418148994446 -c1ncc[nH]1,0.3987574279308319 -n1ccc(cc1)c1ccncc1,0.637736976146698 -c1coc(c1)c1nc2c([nH]1)cccc2,0.590234637260437 -n1ccc(cc1)c1ccccn1,0.5621005296707153 -c1ncn[nH]1,0.4456524848937988 -c1scc(n1)c1nc2c([nH]1)cccc2,0.6902114748954773 -n1ccncc1,0.3388418555259705 -n1ccc2c(c1)cnnc2,0.5589526891708374 -n1ccc2c(c1)cc1c(c2)c2ccccc2cc1,0.7845562100410461 -n1sc2c(c1)cc(cc2)OC[C@H]1CO1,0.897253155708313 -n1ccc2c(c1)cc1c(c2)c2ccccc2c2c1cccc2,0.8201738595962524 |