path: root/10-fold-crossvalidations/tensorflow/pred_ext.sorted.csv

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
BrCc1c2ccccc2c(c2c1cccc2)C,0.7500684857368469
BrCc1c2ccc3c4c2c(c2c1cccc2)ccc4ccc3,0.6996582746505737
BrCc1ccc(cc1)[N+](=O)[O-],0.8894132375717163
BrCc1ccc(cc1)Br,0.5958810448646545
BrCc1ccc(cc1)CBr,0.6696999073028564
BrCc1c2ccccc2cc2c1c1ccccc1cc2,0.6592826843261719
BrCc1c2ccc3c4c2c2c5c1cccc5ccc2cc4ccc3,0.7567537426948547
BrCc1ccc2-c3c(-c4c2c1ccc4)cccc3,0.8557251095771791
BrCc1cccc(c1)[N+](=O)[O-],0.6955100297927856
BrCc1cc2cccc3-c4c(-c(c1)c23)cccc4,0.6916468143463135
BrCc1ccc2-c3c4c(-c2c1)cccc4ccc3,0.7870107293128967
BrCc1cccc(c1)CBr,0.6744624376296997
BrCc1ccccc1[N+](=O)[O-],0.7753344774246216
BrCc1ccccc1,0.6374834775924683
BrCc1ccccc1CBr,0.726507306098938
BrN1C(=O)CCC1=O,0.361649215221405
BrCc1cccc2-c3c4c(-c12)cccc4ccc3,0.9069255590438844
BrCc1ccc2c3c1-c1ccccc1-c3ccc2,0.7869026064872742
Br[C@H](CBr)COC(=O)C=C,0.4016639292240143
Br[C@@H](C=O)CBr,0.6020606160163879
Br[C@H](C(C)(C)C)C(=O)Nc1ccccc1,0.4233896732330322
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
Brc1ccc(cc1)C(=O)/C=C/c1ccccc1,0.5177507400512695
Brc1ccc(cc1)C(=O)C1OC1c1ccccc1,0.5252237319946289
Brc1ccc(cc1)NC(=O)c1csc(c1)[N+](=O)[O-],0.4966250956058502
Brc1ccc(cc1)[N+](=O)[O-],0.6843536496162415
Brc1ccc(c(c1)Br)Oc1cc(Br)c(cc1Br)Br,0.4529089033603668
Brc1ccc(cc1)NC(=O)c1cc(Br)cc(c1O)Br,0.3643606305122376
Brc1ccc(cc1)CN1C2C1c1ccccc1-c1c2cccc1,0.7026363611221313
Brc1ccc(cc1)c1ccccc1,0.5123066902160645
Brc1ccc(cc1)C1OC1C(=O)c1ccccc1,0.40746450424194336
Brc1ccc2c(c1)C=CC1C2CCCC1,0.5705327987670898
Brc1cc2c(c(c1O)Br)Oc1c(C32OS(=O)(=O)c2c3cccc2)cc(c(c1Br)O)Br,0.4007511734962464
Brc1ccc2c(c1)c(N)c1c(n2)cccc1,0.763790488243103
Brc1cccc(c1)[N+](=O)[O-],0.5841880440711975
Brc1cccc(c1)NC(=O)c1csc(c1)[N+](=O)[O-],0.5056025981903076
Brc1ccc2c(c1)C1OC1C1C2CCCC1,0.4884536862373352
Brc1ccc2c(c1)[nH]c(c2)C(=N)N,0.5663596987724304
Brc1cccc(c1)c1ccccc1,0.4841948449611664
Brc1ccccc1c1ccccc1,0.44137296080589294
Brc1ccccc1,0.4397546350955963
Brc1cccc2c1cc1ccc3c(c1c2)cccc3,0.7840983271598816
Brc1nn(c(c1)C(=O)N)c1ncccc1Cl,0.3912960588932037
C#CC1(O)CCC2C1(C)CCC1C2CCc2c1ccc(c2)O,0.3961319327354431
Brc1nn(c(c1)c1nc(=O)c2c([nH]1)c(C)cc(c2)C(=O)O)c1ncccc1Cl,0.2244495898485184
C#CC1(O)CCC2C1(C)CCC1C2CCC2=CC(=O)CCC12,0.4283896386623383
C#CC1(O)CCC2C1(C)CCC1C2CCc2c1ccc(c2)OC,0.4593753218650818
C#CCN1C(=O)COc2c1cc(c(c2)F)N1C(=O)C2=C(C1=O)CCCC2,0.28142285346984863
C#CC(c1ccccc1)(c1ccccc1)OC(=O)NC1CCCCC1,0.14994660019874573
C#CCOC(c1ccc(cc1)Cl)C(=O)NCCC(=O)O,0.24142396450042725
C#CCOC(=O)[C@H](Oc1ccc(cc1)Oc1ncc(cc1F)Cl)C,0.15071900188922882
C#CC1(CCC2C1(C)CCC1C2CCC2=CC(=O)CCC12C)OC(=O)C,0.32348769903182983
C#CCNC(=NCCSCc1nc[nH]c1C)NC#N,0.15722160041332245
C#CCOCC[n+]1ccccc1/C=N/O,0.2604646384716034
C#CCc1ccc(o1)COC(=O)[C@H]1[C@@H](C1(C)C)C=C(C)C,0.30598291754722595
C#CCOC(c1ccc(cc1)Cl)C(=O)NCCc1ccc(c(c1)OC)OCC#C,0.2915109694004059
C(C1OC1)CC1OC1,0.5582830309867859
C(C1OC1)Cc1ccccc1,0.5935784578323364
C#C[C@](c1ccc(c(c1)C)C)(c1ccccc1)OC(=O)NC1CCCCC1,0.11892624199390413
C#C[C@@]1(O)CC[C@@H]2[C@]1(CC)CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@H]12,0.4319828152656555
C(COC[C@@H]1OC1)CCOC[C@@H]1OC1,0.6852210760116577
C#C[C@]1(O)CC[C@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=C1CCC(=O)C2,0.3856804966926575
C([C@@H]1OC1)C[C@@H]1OC1,0.5280146598815918
C#C[C@]1(O)CC[C@H]2[C@]1(C)CC[C@H]1[C@H]2CCc2c1ccc(c2)O,0.3961319327354431
C#C[C@@]1(O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@H]12,0.4283896386623383
C#C[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@H]12)OC(=O)C,0.3532603085041046
C(C[C@@H]1OC1)CC[C@@H]1OC1,0.4129961431026459
C(Sc1ccccc1)CSc1ccccc1,0.3689017295837401
C/C(=C/C)/C#N,0.32974350452423096
C/C(=C/COC(=O)C)/CCC=C(C)C,0.3520639836788177
C/C(=C/CC/C=C(\CC/C=C(\CCC=C(C)C)/C)/C)/CC/C=C(\CCC=C(C)C)/C,0.385739266872406
C([C@@H]1OC1)Cc1ccccc1,0.6329343318939209
C/C(=C\C)/C#N,0.4098486006259918
C/C(=C\C)/CCl,0.5205333828926086
C/C(=C\C)/C(=O)OC1CCN2C1C(=CC2)CO,0.4801810383796692
C/C(=C\C=O)/Cl,0.480644166469574
C/C(=N/O)/C(=O)C,0.4534785151481629
C/C(=N/O)/CC,0.3038914203643799
C/C(=C\C=C\C=C(\C=C\C=C(\C=C\C1=C(C)C(=O)CCC1(C)C)/C)/C)/C=C/C=C(/C=C/C1=C(C)C(=O)CCC1(C)C)\C,0.4380304217338562
C/C(=C\C=C\C=C(\C=C\C=C(\C=C\C=C(\CCC=C(C)C)/C)/C)/C)/C=C/C=C(/C=C/C=C(/CCC=C(C)C)\C)\C,0.4070533812046051
C/C(=C\C=C\C=C(\C=C\C=C(\C=C\C1=C(C)CCCC1(C)C)/C)/C)/C=C/C=C(/C=C/C1=C(C)CCCC1(C)C)\C,0.35250958800315857
C/C(=N\O)/CC,0.3156505227088928
C/C(=N\O)/C(=O)C,0.4718746244907379
C/C(=C/1\C(=O)[C@H]2N(C1=O)C([C@H]1[C@@H]2c2c[nH]c3c2c(C1)ccc3)(C)C)/O,0.5231040716171265
C/C/1=C\CCC(=C)C2C(CC1)C(C2)(C)C,0.34791994094848633
Brc1ccc(cc1)c1ccc(cc1)C(CC(c1c(=O)oc2c(c1O)cccc2)c1ccccc1)O,0.3324295282363892
C/C(=C\C(=O)OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CCC2=CC(=O)C=CC12C)/CC/C=C(/CCC=C(C)C)\C,0.4845117032527924
C/C/1=C/CCC(=C)[C@H]2[C@@H](CC1)C(C2)(C)C,0.3466288149356842
C/C(=C\C(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@]1(C)C[C@@H](O)[C@H]1[C@H]2CCC2=CC(=O)C=C[C@]12C)/CC/C=C(\CCC=C(C)C)/C,0.46378439664840704
C/C=C(/C=O)\Cl,0.4823126196861267
C/C=C(/C(=C/C)/c1ccc(cc1)O)\c1ccc(cc1)O,0.4097225069999695
C/C=C/1\C[C@H]2C[C@@H]1C=C2,0.4203616678714752
C/C=C(\C=O)/Cl,0.4589316844940186
C/C=C(/C1=CC(=O)C23C(C1=O)(O)OC(C3C2)(C)C)\Cl,0.5594316720962524
C/C=C/1\CC(=C)[C@@](C)(O)C(=O)OCC2=CCN3[C@H]2[C@@H](OC1=O)CC3,0.5208685994148254
C/C=C/C,0.4198163449764252
C/C=C/1\CC(C)C(C)(O)C(=O)OCC2=CC[N+]3(C2(C(OC1=O)CC3)O)C,0.4930501878261566
C/C=C/C1OC(=O)C=CC1O,0.4108735918998718
C/C=C/C1=CC(=O)C23C(C1=O)(O)OC(C3C2)(C)C,0.4824158549308777
C/C=C/C=C/C=O,0.5176451206207275
C/C=C/C=O,0.5218180418014526
C/C=C/C(=O)O[C@H]1C[C@H]2[C@]3([C@]1(C)[C@@]1(C)CC(=O)C(=C[C@@H]1O2)C)CO3,0.5216733813285828
C/C=C/1\CC(C)C(C)(O)C(=O)OCC2=CCN3C2C(OC1=O)CC3,0.4916292130947113
C/C=C/CC#N,0.362559586763382
C/C=C/C(=O)OC1CC2C3(C1(C)C1(C)CC(=O)C(=CC1O2)C)CO3,0.5017679929733276
C/C=C/c1cc2OC(C)C(C(=O)c2c(=O)o1)O,0.4525858759880066
C/C=C/C=C/C(=O)O.[K+],0.3705066740512848
C/C=C/Cl,0.42271262407302856
C/C=C/c1ccc(c(c1)OC)O,0.4686545431613922
C/C=C/c1cc(OC)ccc1OC,0.5787827372550964
C/C=C/c1cc(OC)c(cc1OC)OC,0.484067440032959
C/C=C/c1ccc(cc1)OC,0.5709013342857361
C/C=C/c1ccc(cc1OC)OC,0.5590735673904419
C/C=C/c1cccc(c1OC)OC,0.5277434587478638
C/C=C/c1ccc2c(c1)OCO2,0.5947579145431519
C/C=C\1/CC(=C)[C@@](C)(O)C(=O)OCC2=CCN3[C@H]2[C@@H](OC1=O)CC3,0.5426274538040161
C/C=C\1/CC(=C)[C@](O)(CO)C(=O)OCC2=CCN3[C@H]2[C@@H](OC1=O)CC3,0.5139244794845581
C/C=C\1/C[C@H](C)[C@](O)(CO)C(=O)OCC2=CC[N@@+]3([C@H]2[C@H](OC1=O)CC3)[O-].O.O,0.5744603872299194
C/C=C\1/CC(=C)[C@](O)(CO)C(=O)OCC2=CCN3[C@H]2[C@H](OC1=O)CC3,0.5019496083259583
C/C=C\1/CC(C)C(C)(OC(=O)C)C(=O)OCC2=CCN(CCC(OC1=O)C2=O)C,0.502558708190918
C/C=C\1/C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CCN3[C@H]2[C@@H](OC1=O)CC3,0.5230128169059753
C/C=C\1/C[C@H](C)[C@](O)(CO)C(=O)OCC2=CC[N@@+]3([C@H]2[C@H](OC1=O)CC3)[O-],0.5622822046279907
C/C=C\1/C[C@H](C)[C@@](O)(CO)C(=O)OCC2=CCN3[C@@H]2[C@H](OC1=O)CC3,0.5415776371955872
C/C=C\C=C/C=O,0.4651881158351898
C/C=C\C=O,0.5139576196670532
C/C=C\C=C,0.2860317826271057
C/C=C\C=C/C(=O)O,0.28089308738708496
C/C=N/N(C=O)C,0.6241487264633179
C/C=C\c1cc(OC)c(cc1OC)OC,0.5069237947463989
C/C=C\c1ccc(c(c1)OC)O,0.4686545431613922
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CC(=O)OCc1c2ccccc2cc2c1cccc2,0.6616692543029785
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CC(=O)ON(C(=O)c1ccccc1)OCc1ccc(cc1)Cl,0.44991087913513184
CC(=O)ON(C(=O)c1ccccc1)OCc1ccc(cc1)Br,0.5108969807624817
CC(=O)ON(C(=O)c1ccccc1)OCc1ccccc1,0.6140166521072388
CC(=O)ON(c1ccc(cc1)Oc1ccc(cc1)NC(=O)C)C(=O)C,0.5219510793685913
CC(=O)OO,0.4570845067501068
CC(=O)O[C@@H](c1ccc2c(c1)OCO2)[C@@H]1CO1,0.5728060007095337
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CC(=O)ON(c1ccccc1C)C(=O)C,0.42029818892478943
CC(=O)ON(C(=O)c1ccccc1)OCc1ccc(cc1)c1ccccc1,0.5775961875915527
CC(=O)ON(c1ccc(cc1)c1ccccc1)C(=O)C,0.499854028224945
CC(=O)ON(c1ccc2-c3c(Cc2c1)cccc3)C(=O)C,0.5926100015640259
CC(=O)O[C@@H]1C(=O)O[C@H]2[C@H]1OC(=O)[C@@H]2OC(=O)C,0.4542423784732818
CC(=O)O[C@H]1C[C@H](CC=C1C)C(=C)C,0.3538711965084076
CC(=O)O[C@@H]1Cc2c3c1c1ccc4c(c1cc3ccc2C)cccc4,0.6607707142829895
CC(=O)O[C@@H]1Cc2c3c1c(C)ccc3cc1c2ccc2c1cccc2,0.6283291578292847
CC(=O)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@@H]2C=C(C2=CC(=O)[C@H]3[C@@H]([C@]12C)C3)Cl)C(=O)C,0.4486930966377258
CC(=O)O[C@@]1(CC[C@@H]2[C@]1(C)C[C@H](O)[C@]1([C@H]2C[C@H](C2=CC(=O)C(=C[C@]12C)Br)F)F)C(=O)COC(=O)C,0.5217709541320801
CC(=O)Oc1ccc(cc1)C(c1ccccn1)c1ccc(cc1)OC(=O)C,0.24019408226013186
CC(=O)Oc1ccc2c(c1)C1(C)OOC1(O2)C,0.3246186673641205
CC(=O)Oc1cccc2c1nccc2,0.5376899242401123
CC(=O)Oc1ccccc1C(=O)O,0.3459150791168213
CC(=O)Oc1ccc2c(c1)OC1(C2(C)OO1)C,0.3159489929676056
CC(=O)Oc1c(OC(=O)C)c2c(ccc3c2c2c1cccc2c1c3cccc1)[N+](=O)[O-],0.7657519578933716
CC(=O)Oc1cc([N+](=O)[O-])c2c3c1ccc1c3c(cc2)ccc1,0.6708678007125854
CC(=O)Oc1ccccc1C(=O)Oc1ccccc1C(=O)O,0.3321031630039215
CC(=O)[C@H](O)C,0.4042764604091644
CC(=O)c1cc(cc2c1CCC2(C)C)C(C)(C)C,0.378950297832489
CC(=O)c1cc(ccc1N)Cc1ccc(c(c1)C(=O)C)N,0.4448553621768952
CC(=O)[C@@H]1C(=O)C=C2[C@](C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O,0.4299944043159485
CC(=O)c1ccc([nH]1)[N+](=O)[O-],0.6309047937393188
CC(=O)c1ccc(c(c1Cl)Cl)Cl,0.4704365134239197
CC(=O)c1ccc(s1)[N+](=O)[O-],0.5599223375320435
CC(=O)c1ccc(cc1)[N+](=O)[O-],0.5878610610961914
CC(=O)c1ccc2c(c1)cccc2,0.7150413990020752
CC(=O)c1cccc(c1)[N+](=O)[O-],0.5622899532318115
CC(=O)c1ccc[nH]1,0.3767417371273041
CC(=O)[C@H](C(=O)Nc1ccccc1)/N=N/c1ccc(cc1Cl)c1ccc(c(c1)Cl)/N=N/[C@@H](C(=O)Nc1ccccc1)C(=O)C,0.5074326395988464
CC(=O)c1ccc2c(c1)CN1C(=N2)c2c(C1=O)cccc2,0.5006803274154663
CC(=O)c1cccc2c1OC1(C2(C)OO1)C,0.4769324660301209
CC(=O)c1ccccc1,0.4917828440666199
CC(=O)c1ccco1,0.4560255408287048
CC(=O)c1cccn1[N+](=O)[O-],0.4457685351371765
CC(=O)c1ccncc1,0.4660577178001404
CC(=O)c1ccccn1,0.4653262197971344
CC(=S)N,0.3501640260219574
CC(=O)[C@H](C(=O)Nc1ccccc1)N=Nc1ccc(cc1Cl)c1ccc(c(c1)Cl)N=N[C@@H](C(=O)Nc1ccccc1)C(=O)C,0.4827238917350769
CC(=O)n1cncc1,0.4580493569374085
CC(=O)n1ncc(c(c1=O)Cl)Cl,0.4590956568717957
CC(Br)Br,0.366359144449234
CC(Br)(C)C,0.2915145754814148
CC(=O)c1oc(c(c1c1ccccc1)c1ccccc1)[N+](=O)[O-],0.5227809548377991
CC(C#N)C=C,0.28917092084884644
CC(C#N)O,0.3887473344802856
CC(Br)C,0.27355530858039856
CC(C(=O)N(Cc1ccccc1)C)Br,0.4404642581939697
CC(C(=O)N)Br,0.4227887094020844
CC(C(=O)NCc1ccccc1)Br,0.4898928701877594
CC(C(=O)NCc1ccc(cc1)Cl)Br,0.3771340847015381
CC(C(=O)NC(=O)O)OC(=O)Nc1ccccc1,0.1643567979335785
CC(C(=O)N(c1ccc(cc1)Cl)O)C,0.39861443638801575
CC(C(=O)NCc1ccccc1)Cl,0.4662811756134033
CC(C(=O)O)Cl,0.3390357196331024
CC(C(=O)Nc1ccccc1)C,0.3108991980552673
CC(C(=O)O)N,0.2634963095188141
CC(C(=O)Nc1ccccc1)Br,0.4189191460609436
CC(C(=O)NCc1ccccc1)NCc1ccccc1,0.5061855316162109
CC(C(=O)OC)CN=N#N,0.4606050550937653
CC(C(=O)O)Oc1cc(Cl)c(cc1Cl)Cl,0.3638055324554443
CC(C(C)(C)C)OP(=O)(Cl)C,0.247147873044014
CC(C(C(=O)OCC1CCN2C1CCC2)(C(O)C)O)C,0.36991217732429504
CC(C(C(=O)O)Nc1ccc(cc1Cl)C(F)(F)F)C,0.2340284883975983
CC(C(C)(C)C)OP(=O)(F)C,0.2943207621574402
CC(C(C)C)C,0.2303088903427124
CC(C(CCl)Br)Br,0.4625319838523865
CC(C(CBr)Br)Cl,0.475106954574585
CC(C(Cc1ccc(c(c1)O)O)C)Cc1ccc(c(c1)O)O,0.3943622410297394
CC(C(O)C)O,0.4576696455478668
CC(C(c1ccc(cc1)Cl)(Cn1ncnc1)O)C1CC1,0.2250202149152756
CC(C1=CC(=O)C(=CC1=O)C)C,0.4175536036491394
CC(C1(C)N=C(NC1=O)c1nc2ccccc2cc1C(=O)O)C,0.4249416887760161
CC(C1=CC(=CC=C2C=C(C(=O)C(=C2)C(C)(C)C)C(C)(C)C)C=C(C1=O)C(C)(C)C)(C)C,0.4364372789859772
CC(C1=C/C(=C/C=C/2\C=C(C(=O)C(=C2)C(C)(C)C)C(C)(C)C)/C=C(C1=O)C(C)(C)C)(C)C,0.4646587371826172
CC(C1=CC2=CC[C@H]3[C@]([C@H]2CC1)(C)CCC[C@@]3(C)C(=O)O)C,0.3643589019775391
CC(C1=CC2=CCC3C(C2CC1)(C)CCCC3(C)C(=O)O)C,0.32281386852264404
CC(C1CCC(C1(O)Cn1ncnc1)Cc1ccc(cc1)Cl)C,0.2223424017429352
CC(C1C(=O)N2C1SC(=C2C(=O)O)C1CCCO1)O,0.2575825750827789
CC(C1c2cc(C(=O)C)c(cc2C(C1C)(C)C)C)C,0.4220725893974304
CC(C1CCC2(CC1)OC2)(C)C,0.3587146997451782
CC(C=O)CC,0.37464985251426697
CC(CC(=O)CC(C)C)C,0.2393669188022613
CC(CC(=O)C)C,0.18666651844978333
CC(C1C2CCC1c1c2cccc1NC(=O)c1cn(nc1C(F)F)C)C,0.7341927289962769
CC(CC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)CC(C)C)C,0.3732582926750183
CC(CC(=O)Nc1ccc(cc1)O)O,0.34570252895355225
CC(CC(=O)Nc1snc2c1cccc2)C,0.4026324152946472
CC(CC(=O)Nc1snc2c1cc(Cl)cc2)C,0.2895510494709015
CC(CC(C(=O)O)NC(=O)COc1cc(Cl)c(cc1Cl)Cl)C,0.1765109747648239
CC(CC(C(=O)O)NC(=O)COc1ccc(cc1Cl)Cl)C,0.13027940690517426
CC(CC(C)(C)C)(CC(C)(C)C)S,0.116839662194252
CC(CC(=O)OCC1=CO[C@H]([C@@H]2[C@@H]1C[C@@H]([C@@]12CO1)OC(=O)C)OC(=O)CC(C)C)C,0.37049800157547
CC(CC(O)C)C,0.1266481876373291
CC(CC(c1ccc(cc1)OCCOCC[N+](Cc1ccccc1)(C)C)(C)C)(C)C,0.13213580846786502
CC(CC(c1ccccc1NC(=O)c1c(C)nn(c1F)C)C)C,0.18084928393363955
CC(CC1NC(=O)CNC1=O)C,0.17446763813495636
CC(CC1NC(=O)C(C)N(C)C(=O)CNC(=O)/C(=C\c2ccccc2)/N(C1=O)C)C,0.4838865697383881
CC(CC(=O)OC1CC2(COC(=O)C)C(C=C1C)OC1C3(C2(C)C(OC(=O)C)C1O)CO3)C,0.448535829782486
CC(CC(=O)O[C@H]1C[C@@]2(OC(=O)C)[C@@H](C=C1C)O[C@@H]1[C@]3([C@@]2(C)[C@H](OC(=O)C)[C@H]1O)OC3)C,0.4360935091972351
CC(CCCC(C1CCC2C1(C)CCC1C2CC=C2C1(C)CCCC2)C)C,0.3702004253864288
CC(CCCC(C1CCC2C1(C)CCC1C2CC(C2(C1(C)CCC(C2)O)O)O)C)C,0.509157657623291
CC(CCCC(C1CCC2C1(C)CCC1C2CC=C2C1(C)CCC(C2)OC(=O)C)C)C,0.3495979905128479
CC(CCCCCCCOC(=O)C(=C)C)C,0.07181581109762193
CC(CCCC1(C)CCc2c(O1)c(C)c(c(c2C)O)C)CCCC(CCCC(C)C)C,0.21929916739463806
CC(CCCC(C1CCC2C1(C)CCC1C2CC2C3(C1(C)CCC(C3)O)O2)C)C,0.43483614921569824
CC(CCCC1(C)CCc2c(O1)c(C)c(c(c2C)OC(=O)C)C)CCCC(CCCC(C)C)C,0.1374192237854004
CC(CCCCCCCOP(=O)(Oc1ccccc1)Oc1ccccc1)C,0.1998665481805801
CC(CCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC(C)C)C,0.11808674037456512
CC(CCCCCCOC(=O)CCCCC(=O)OCCCCCCC(C)C)C,0.17806580662727356
CC(CCCCCOC(=O)Cc1cc(Cl)c(cc1Cl)Cl)C,0.08525566756725311
CC(CCCCCOC(=O)Cc1ccc(cc1Cl)Cl)C,0.06757108867168428
CC(CCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCC(C)C)C,0.14287416636943814
CC(CCCCCOC(=O)c1ccccc1C(=O)OCCCCCC(C)C)C,0.09362192451953888
CC(CCC[C@H]([C@@H]1CC[C@H]2[C@@]1(C)CCC/C/2=C/C=C\1/C[C@@H](O)CCC1=C)C)C,0.33066511154174805
CC(CCC[C@H]([C@@H]1CC[C@H]2[C@]1(C)CC[C@@H]1[C@@H]2CC=C2[C@]1(C)CC[C@H](C2)OC(=O)C)C)C,0.3495979905128479
CC(CCC[C@H]([C@@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C[C@H]2[C@@]3([C@]1(C)CC[C@@H](C3)O)O2)C)C,0.5070316195487976
CC(CCC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CCC/C/2=C\C=C/1\C[C@@H](O)CCC1=C)C)C,0.36493057012557983
CC(CCNc1snc2c1cccc2)C,0.5752785205841064
CC(CCOC(=O)/C=C\c1ccccc1)C,0.2154374867677689
CC(CCOC(=O)C)C,0.18816134333610532
CC(CCC[C@H]([C@H]1CC[C@H]2[C@@]1(C)CC[C@@H]1[C@@H]2CC=C2[C@]1(C)CCCC2)C)C,0.3999253809452057
CC(CCOC(=O)CC(C)C)C,0.2525191009044647
CC(CCON=O)C,0.43670105934143066
CC(CN(C(=N)N[N+](=O)[O-])N=O)C,0.80213463306427
CC(CCOS(=O)(=O)C)C,0.305121511220932
CC(CN(CC(C)C)N)C,0.4146113395690918
CC(CN(CC(C)C)CC(C)C)C,0.15495535731315613
CC(CN1CC(OC1=O)C)O,0.3981408774852753
CC(CN(CC(O)C)CCN(CC(O)C)CC(O)C)O,0.33211591839790344
CC(CCC[C@H]([C@@H]1CC[C@H]2[C@]1(C)CC[C@@H]1[C@H]2CC2([C@H]3[C@]1(C)CC[C@@H](C3)Br)S(=O)(=O)CCS2(=O)=O)C)C,0.4502285122871399
CC(CNCC(C)C)C,0.13017866015434265
CC(CNC(=O)/C=C/c1ccc(o1)[N+](=O)[O-])C,0.3681362569332123
CC(=O)OC1C(OC2OC(C)C(C(C2O)OC(=O)C)O)C(OC(=O)C2CCC3C(C2)OC2(C43CO4)OCC(C(C2)OC(=O)/C=C/c2ccccc2)C)OC(C1O)C,0.493129163980484
CC(CO)Cl,0.44276610016822815
CC(COC(=O)/C=C/c1ccc(o1)[N+](=O)[O-])C,0.2687215805053711
CC(CNc1snc2c1cccc2)C,0.4129152297973633
CC(COC(=O)C(=C)C#N)C,0.1680230051279068
CC(COC(=O)C(=C)C)O,0.2495661973953247
CC(COC(=O)C(=C)C)C,0.21882537007331848
CC(COC(=O)C=C)O,0.35341888666152954
CC(CCCC(C1CCC2C1(C)CCC1C2CC2C3(C1(C)CCC(C3)Cl)N2N1C(=O)c2c(C1=O)cccc2)C)C,0.6608492136001587
CC(COC(=O)Cc1ccccc1)C,0.16742363572120667
CC(COC(=O)CCCCC(=O)OCC(C)C)C,0.1662774235010147
CC(COC(=O)COc1cc(Cl)c(cc1Cl)Cl)C,0.2301708161830902
CC(COC(=O)c1ccccc1C(=O)OCC(C)C)C,0.3260188698768616
CC(COS(=O)(=O)C)C,0.2610797882080078
CC(CON=O)C,0.3481848537921905
CC(COC(=O)c1ccccc1N)C,0.3231856822967529
CC(COC[C@@H]1OC1)(COC[C@@H]1OC1)C,0.30665653944015503
CC(COS(=O)(=O)c1ccc(cc1)C)C,0.30203986167907715
CC(COS(=O)(=O)c1ccccc1)C,0.3396591544151306
CC(C[C@@H](C(=O)O)NC(=O)COc1ccc(cc1Cl)Cl)C,0.1557147651910782
CC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-],0.4701046347618103
CC(C[C@@H](C(=O)O)NC(=O)COc1cc(Cl)c(cc1Cl)Cl)C,0.1814012974500656
CC(C[C@@H]1NC(=O)CNC1=O)C,0.12211934477090836
CC(C[C@H](N)C)C,0.1836584359407425
CC(C[C@H](O)C)C,0.2253597527742386
CC(Cc1cc(N)cc(c1N)[N+](=O)[O-])O,0.4517433047294617
CC(Cc1ccc(cc1)C(=O)C)C,0.3763039410114288
CC(Cc1ccc(cc1)C(C(=O)O)C)C,0.21210388839244845
CC(C[N+]1([O-])CCCCC1)Cc1ccc(cc1)C(C)(C)C,0.220765084028244
CC(C[C@H](Nc1ccc(cc1)Nc1ccccc1)C)C,0.2861529886722565
CC(Cc1nccs1)C,0.2378851920366287
CC(Cc1ccc(cc1)[C@@H](C(=O)O)C)C,0.2720761001110077
CC(Cc1ccccc1)N,0.4143083095550537
CC(Cc1ccc(cc1)C(C)(C)C)CN1C[C@H](C)O[C@@H](C1)C,0.22342291474342346
CC(Cc1ccc(cc1)C(C)(C)C)CN1CCCCC1,0.12601174414157867
CC(Cl)C,0.3108381628990173
CC(Cl)Cl,0.3817137181758881
CC(Cl)(Cl)C,0.07056578248739243
CC(F)(F)F,0.29475948214530945
CC(N(C(=O)NC(C)(C)C)C(=O)Nc1ccccc1)C,0.4880013465881348
CC(N)(C)C,0.3778632879257202
CC(N(C(C)C)N)C,0.4746003746986389
CC(N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C)C,0.15008766949176788
CC(N(c1c(C)cccc1C)C(=O)CC(=O)O)C(=O)O,0.3294777572154999
CC(N(C(=S)NC(C)(C)C)C(=O)Nc1ccccc1)C,0.4162667393684387
CC(N)C,0.22150161862373352
CC(N/C(=N\C(C)C)/OCc1ccc(cc1)[N+](=O)[O-])C,0.4341614842414856
CC(N1C(=O)SCN(C1=O)c1ccccc1)C,0.19546687602996826
CC(N1C(=O)c2cccc(c2NS1(=O)=O)O)C,0.4395468235015869
CC(N1C(=O)c2ccccc2NS1(=O)=O)C,0.3977281153202057
CC(N1C(=O)c2ccccc2[N-]S1(=O)=O)C.[Na+],0.3619932234287262
CC(N1C(=NC(C)(C)C)SCN(C1=O)c1ccccc1)C,0.3512735068798065
CC(N=C=NC(C)C)C,0.2988928854465485
CC(NC(=O)Nc1ccccc1)C,0.282565712928772
CC(NC(=O)/C=C\c1ccc(o1)[N+](=O)[O-])C,0.3452169895172119
CC(NC(=O)/C=C/c1ccc(o1)[N+](=O)[O-])C,0.3989184498786926
CC(NC(=O)c1cccnc1)CNC(=O)c1cccnc1,0.2913251221179962
CC(NC(=O)NS(=O)(=O)c1cnccc1Nc1cccc(c1)C)C,0.30319443345069885
CC(NC(C)C)C,0.21808047592639926
CC(NCC(c1ccc(c(c1)O)O)O)C,0.3247743844985962
CC(NCC(c1ccc2c(c1)cccc2)O)C,0.5959544181823729
CC(NCC(c1ccc(cc1)NS(=O)(=O)C)O)C,0.2618818283081055
CC(=O)O[C@@H]1[C@@H](O[C@@H]2O[C@@H](C)[C@H]([C@H]([C@H]2O)OC(=O)C)O)[C@@H](OC(=O)[C@@H]2CC[C@@H]3[C@H](C2)O[C@@]2([C@]43CO4)OC[C@H]([C@H](C2)OC(=O)/C=C/c2ccccc2)C)O[C@H]([C@H]1O)C,0.493129163980484
CC(Nc1ccc(cc1)Nc1ccccc1)C,0.5129169225692749
CC(CCC[C@H]([C@@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C[C@H]2[C@@]3([C@]1(C)CC[C@@H](C3)OC(=O)C)N2N1C(=O)c2c(C1=O)cccc2)C)C,0.4080101549625397
CC(Nc1nc(NC(C)C)nc(n1)Cl)C,0.2351530492305756
CC(Nc1nc(O)nc(n1)O)(C)C,0.26145806908607483
CC(Nc1ccccc1)C,0.3139682114124298
CC(Nc1nc(N)nc(n1)Cl)C,0.283550888299942
CC(Nc1cccc2c1C(=O)c1ccccc1C2=O)C,0.6704632043838501
CC(OC(=O)C(=C)C)C,0.2810988426208496
CC(Nc1snc2c1cccc2)C,0.5721231698989868
CC(O)(C)C,0.3736503124237061
CC(O)C,0.2622425556182861
CC(OC(=O)/C=C/c1ccc(o1)[N+](=O)[O-])C,0.4777320325374603
CC(OC(=O)C(Oc1ccc(cc1)C(=O)c1ccc(cc1)Cl)(C)C)C,0.3503008484840393
CC(OC(=O)Cc1ccccc1)C,0.225628525018692
CC(OC(=O)COc1ccc(cc1Cl)Cl)C,0.21011054515838626
CC(OC(=O)C)C,0.13038530945777893
CC(OC(=O)C[C@](C(=O)O)(CC(=O)O)O)C,0.2831127643585205
CC(OC(=O)CC(=O)OC(C)C)C,0.3953084051609039
CC(OC(=O)NC(C(=O)NC(c1ccc(cc1)C)C)C(C)C)C,0.3600844144821167
CC(OC(Cl)(C)C)(Cl)C,0.16283734142780304
CC(OC)CCO,0.2758814692497253
CC(OC1OC(=O)C(=C1Cl)Cl)C,0.3661471903324127
CC(OC(=O)c1cc(ccc1N)Cc1ccc(c(c1)C(=O)OC(C)C)N)C,0.4466444849967957
CC(OC[C@@H]1OC1)C,0.4608141481876373
CC(OC[C@@H]1OC1)(C)C,0.32794955372810364
CC(OC(=O)NC(C(=O)NC(c1sc2c(n1)cc(c(c2)F)O)C)C(C)C)C,0.40358966588974
CC(OC(=O)N[C@@H](C(=O)N[C@@H](c1nc2c(s1)cc(cc2)F)C)C(C)C)C,0.3878608942031861
CC(OOC(C)(C)C)(C)C,0.35181331634521484
CC(OOC(C)(C)C)(CCC(OOC(C)(C)C)(C)C)C,0.2858606278896332
CC(OP(=O)(F)C)C,0.3080003559589386
CC(ON(C(=O)c1ccccc1)OC(=O)C)C,0.4045747816562653
CC(O[P@@](=O)(F)C)C,0.4229274690151215
CC(OS(=O)(=O)C)C,0.3707571029663086
CC(OS(=O)(=O)c1ccc(cc1)C)C,0.4654223918914795
CC(S(=O)(=N)C)c1ccc(nc1)C(F)(F)F,0.4040560722351074
CC(Oc1ccc(cc1)Nc1ccccc1)C,0.4185778200626373
CC(Oc1ccc2c(c1)occ(c2=O)c1ccccc1)C,0.3659087121486664
CC(Oc1cc(c(cc1Cl)Cl)n1nc(oc1=O)C(C)(C)C)C,0.2971180081367493
CC(S(=O)(=O)Cl)C,0.4319225251674652
CC(S(=O)(=O)C)c1ccc(nc1)C(F)(F)F,0.4852064251899719
CC(Oc1ccccn1)COc1ccc(cc1)Oc1ccccc1,0.22846384346485135
CC(S)C,0.13995665311813354
CC(Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F)C,0.16509780287742615
CC(Sc1cc(ccc1N)Cc1ccc(c(c1)SC(C)C)N)C,0.4584183692932129
CC([C@](C(=O)O)([C@H](O)C)O)C,0.30325382947921753
CC([C@@H]1CC[C@@]2(CC1)OC2)(C)C,0.3817123770713806
CC([N+](=O)[O-])(C)C,0.411296546459198
CC([N+](=O)[O-])(Cl)C,0.4299523830413817
CC([C@H]1c2cc(C(=O)C)c(cc2C([C@@H]1C)(C)C)C)C,0.41168412566185
CC([N+](=O)[O-])(Cl)Cl,0.4451236724853516
CC([N+](=O)[O-])C,0.40321892499923706
CC(c1c(C)n(n(c1=O)c1ccccc1)C)C,0.3231525719165802
CC(c1cc(Br)c(c(c1)Br)O)(c1cc(Br)c(c(c1)Br)O)C,0.4496828615665436
CC(c1c(N)ccc2-c3c(Cc12)cccc3)C,0.5424970388412476
CC(c1cc(Cc2cc(c(c(c2)C(C)(C)C)O)C(C)(C)C)cc(c1O)C(C)(C)C)(C)C,0.38728708028793335
CC(c1cc(ccc1N)c1ccccc1)C,0.5415067672729492
CC(c1cc(/C=C/c2cc(c(c(c2)C(C)(C)C)O)C(C)(C)C)cc(c1O)C(C)(C)C)(C)C,0.3835267424583435
CC(c1cc(N)c(cc1N)[N+](=O)[O-])C,0.5448574423789978
CC(c1cc(cc(c1N)C(C)C)c1ccccc1)C,0.560832142829895
CC(c1cc(Sc2cc(c(cc2C)O)C(C)(C)C)c(cc1O)C)(C)C,0.4215337336063385
CC(c1ccc(c(c1)O)C)C,0.4082511365413666
CC(c1ccc(cc1)C(C)(C)C)O,0.3607111871242523
CC(c1ccc(c2-c(c1)c(C)cc2S(=O)(=O)O)C)C,0.5316566228866577
CC(c1ccc(c2-c(c1)c(C)cc2S(=O)(=O)O)C)C.[Na+],0.5272678136825562
CC(c1ccc(cc1)NC(=O)N(C)C)C(=O)O,0.3600758910179138
CC(c1ccc(cc1)CCOc1ncnc2c1cccc2)(C)C,0.15005485713481906
CC(c1ccc(cc1)NC(=O)N)C,0.4652751982212066
CC(c1ccc(cc1)O)(CC(C)(C)C)C,0.2564145624637604
CC(c1ccc(cc1)O)(c1ccc(cc1)O)C,0.4717767834663391
CC(c1ccc(cc1)OC[C@@H]1OC1)(C)C,0.2902074456214905
CC(c1ccc(nc1)C(F)(F)F)O,0.3563608229160309
CC(c1cc(ccc1OP1OCC2(CO1)COP(OC2)Oc1ccc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C)(C)C,0.2488874942064285
CC(c1ccc(cc1)OP(=O)(Oc1ccccc1)Oc1ccccc1)C,0.4745591282844544
CC(c1cc(ccc1OP1OC[C@]2(CO1)COP(OC2)Oc1ccc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C)(C)C,0.224252849817276
CC(c1ccc(cc1)OP(=O)(Oc1ccccc1)Oc1ccccc1)(C)C,0.3700841963291168
CC(c1cccc(c1O)C(C)(C)C)(C)C,0.36978909373283386
CC(c1cccc(c1)C(OOC(C)(C)C)(C)C)(OOC(C)(C)C)C,0.22502735257148745
CC(c1ccc2c(c1)c(=O)c1c(o2)nc(c(c1)C(=O)O)N)C,0.3521966338157654
CC(c1ccc2c(c1)ccc1c2cccc1C)C,0.679982602596283
CC(c1ccccc1)C,0.30704206228256226
CC(c1ccccc1)CCN=N#N,0.5418071150779724
CC(c1ccccc1)Br,0.499034732580185
CC(c1ccccc1)(OOC(c1ccccc1)(C)C)C,0.45066714286804205
CC(c1ccccc1)Cl,0.5088214278221129
CC(c1ccccc1)CN=N#N,0.6852667927742004
CC(c1ccccc1)N(C)C,0.4610688090324402
CC(c1ccc(cc1)OC[C@@H]1OC1)(c1ccc(cc1)OC[C@@H]1OC1)C,0.3993205428123474
CC(c1ccccc1NC(=O)c1c(C)nn(c1F)C)CC(O)(C)C,0.1766980141401291
CC/C(=C(/c1ccccc1)\c1ccc(cc1)OCCN(C)C)/c1ccccc1,0.33358097076416016
CC/C(=C(\c1ccc(cc1)O)/CC)/c1ccc(cc1)O,0.3623251020908356
CC/C=C/1\OC(=O)c2c1cccc2,0.44731205701828
CC/C(=C(\c1ccc(cc1)OC(=O)CC)/CC)/c1ccc(cc1)OC(=O)CC,0.34112662076950073
CC/C(=C(\c1ccc(cc1)OP(=O)(O)O)/CC)/c1ccc(cc1)OP(=O)(O)O,0.2400805950164795
CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1,0.33358097076416016
CC/C=C/C,0.2357197105884552
CC/C=C/C=C/C=C/C=C/C=C/C=C/OCC(CO)O,0.5079678893089294
CC/C=C/C/C=C/C/C=C/CCCCCCCC(=O)O,0.31908005475997925
CC/C(=C(\c1ccc(cc1)OP(=O)(O)O)/c1ccc(cc1)OCCN(C)C)/c1ccc(cc1)C(C)C,0.320849746465683
CC/C=C/C=C/C=C/C=C/C=C/OC,0.3608705997467041
CC/C=C/C=C/C=C/C=C/C=C/C=C/OC[C@@H](CO)O,0.5140538215637207
CC/C=C/C=C/C=C/C=C/C=C/OCC(O)C,0.47727170586586
CC/C=C/C=C/C=C/C=C/C=C/OCC(c1ccccc1)O,0.4611477851867676
CC/C=C/C=C/C=C/C=C/C=C/OCC(CO)O,0.4812397956848145
CC/C=C/C=C/C=C/C=C/C=C/OC[C@H](O)C,0.4887664318084717
CC/C=C/C=C/C=C/C=C/C=C/OC[C@@H](CO)O,0.454338401556015
CC/C=C/C=C/C=C/C=C/C=C/SCC(CO)O,0.5236201286315918
CC/C=C/C=C/C=C/C=C/C=O,0.4528720378875733
CC/C=C/C=C/C=C/C=C/OCC(CO)O,0.499507188796997
CC/C=C/C=C/C=C/C=C/OC[C@@H](CO)O,0.4602452218532562
CC/C=C/C=C/C=C/C=C/C=C/OC[C@H](c1ccccc1)O,0.4506100714206696
CC/C=C/CC/C=C/C=O,0.3661734163761139
CC/C=C/C=O,0.2756364345550537
CC/C=C\C#N,0.34607604146003723
CC/C=C/[C@H](C=O)CC,0.3437235951423645
CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OCC,0.2765654623508453
CC1(C)C2CCC3(C1C2)CO3,0.31906992197036743
CC/N=[N+](/CC)\[O-],0.5383341908454895
CC1(C)C2CC3C(C1C2)(C)O3,0.25685572624206543
CC/N=N/O.[K+],0.19638606905937195
CC1(CO1)C1CO1,0.4544910788536072
CC1(CO1)C(=O)N,0.4167760312557221
CC1(C)[C@H]2CC[C@]3([C@@H]1C2)CO3,0.4265145659446716
CC1(C)[C@@H]2C[C@H]3[C@]([C@H]1C2)(C)O3,0.294177919626236
CC1(CO1)C=C,0.519403338432312
CC1(OC1)c1ccc(cc1)Br,0.5723167657852173
CC1(OC1)c1ccc(cc1)Cl,0.4613620638847351
CC1(OC1)c1ccccc1,0.5274335741996765
CC12CCC(C2(C)C)CC1(C)O,0.3609494566917419
CC1(OC1)c1ccc(cc1)c1ccccc1,0.4821395874023438
CC12OOC1Oc1c2cccc1,0.4786455035209656
CC1(O)C=Cc2c3C1(O)CCc3c1c(c2)c2ccccc2cc1,0.6507660150527954
CC12OOC2(C)Oc2c1ccc1c2nccc1,0.5948664546012878
CC12OC1C1CCCCC1c1c2cccc1,0.5032855272293091
CC12OOC2(C)c2c(O1)cccc2,0.3903706669807434
CC1=CC(=O)C(=CC1=O)C,0.5348088741302489
CC1=C(C)C(=O)C(=C(C1=O)C)C,0.4527083933353424
CC12OOC2(C)c2c(O1)ccc1c2cccc1,0.6192302703857422
CC1=CC(=O)CC(C1)(C)C,0.274028480052948
CC1=CC(C)(C)Nc2c1cccc2,0.3713374137878418
CC(OC(=O)C1=C(C)N=C(C(=C(OC2CN(C2)C(c2ccccc2)c2ccccc2)O)C1c1cccc(c1)[N+](=O)[O-])N)C,0.24603600800037384
CC1=CC(O)C2CC1C2(C)C,0.3942498564720154
CC1=CC(=O)c2c(C1=O)cccc2O,0.5173599123954773
CC1=CC1,0.4831078946590424
CC1=CCC(CC1)C(O)(C)C,0.4001709520816803
CC1=CC2CCCCC2c2c1cccc2,0.4972933828830719
CC1=CC[C@H](CC1)C(=C)C,0.3561845421791077
CC1=CC(=O)c2c(C1=O)c1-c(c([nH]2)C)c2c(n1)cccc2,0.6823078989982605
CC1=CC[C@@H](CC1)C(=C)C,0.21446481347084045
CC1=CCCc2c1cc(C)c1c2ccc2c1cccc2,0.6432192921638489
CC1=CC[C@H](CC1)C(O)(C)C,0.4307172298431397
CC1=CC[C@H]2[C@H](C1)[C@H](CC=C2C)C(C)(C)C,0.3317462801933289
CC1=CC[C@H]2[C@H](C1)[C@@H](CC=C2C)C(C)C,0.454583078622818
CC1=CC[C@H]2C[C@@H]1C2(C)C,0.3224500119686127
CC1=NNC(=O)N(C1)N,0.6222754716873169
CC1=C[C@@H](O)[C@@H]2C[C@H]1C2(C)C,0.3942498564720154
CC1=Nc2c(C1(C)C)cccc2,0.4755024909973145
CC1=C[C@@H]2[C@H](N(C1)C)Cc1c3c2cccc3[nH]c1,0.563376247882843
CC1=NNC(=O)N(C1)N=Cc1cccnc1,0.5585352182388306
CC1=Cc2nc3c(c(c2C(C1O)O)C)ccc1c3cccc1,0.5876635313034058
CC1CCC(C(C1)OC(=O)c1ccccc1N)C(C)C,0.27546340227127075
CC1CC(C)(C)c2c(C1(C)C)cc(c(c2)C(=O)C)C,0.3864458203315735
CC1C=Cc2c1c1c(cc2)ccc2c1cccc2,0.7365434169769287
CC1CCC2CC1C2(C)C,0.24272286891937256
CC1CCC2C(C3(C1C=CC3=O)C)OC(=O)C2=C,0.4419152736663817
CC1CCCC(=O)CCCCCc2c(C(=O)O1)c(O)cc(c2)O,0.4147418439388275
CC1C(C)(C)Nc2c(C1(C)C1C(C)(C)Nc3c(C1(C)C)cccc3)cccc2,0.3697532117366791
CC1CCCC1,0.175241619348526
CC1CCCC2(C1(O)CCCC2)C,0.3655378222465515
CC1CCCC(N1CCCC(c1ccccn1)(c1ccccc1)O)C,0.1951773166656494
CC1CCCO1,0.26340726017951965
CC1CCN(CC1)N=O,0.5161282420158386
CC1CCc2c(C1)occ2C,0.3245768547058105
CC1CN(C)C2C(C1)c1cccc3c1c(C2)c[nH]3,0.6379941701889038
CC1CN(C)C2C(C1)c1cc(Br)cc3c1c(C2)cn3CC1CC1,0.5895103216171265
CC1CN(N=O)CC(N1C(=O)c1ccccc1)C,0.5393075942993164
CC1CN(C)C2C(C1)c1cccc3c1c(C2)cn3C1CCCC1,0.4705764353275299
CC1COCc2c1cc1c(c2)C(C(C1(C)C)C)(C)C,0.4593099653720856
CC1CS1,0.2508961260318756
CC1COC(O1)(Cn1cncn1)c1ccc(cc1Cl)Oc1ccc(cc1)Cl,0.4359026849269867
CC1Cc2c(C1=O)c1C(=C)CCC3C(c1c(c2O)C)C3(C)C,0.4596739411354065
CC1NCCN(C1)c1cc2c(c(c1F)C)c(=O)c(cn2C1CC1)C(=O)O,0.368461549282074
CC1OC(=O)c2c(C1)ccc(c2O)C(=O)NC(C(=O)O)Cc1ccccc1,0.2898181974887848
CC1NCCN(C1)c1cc2n(cc(c(=O)c2cc1F)C(=O)O)c1ccc(cc1F)F,0.4512968063354492
CC1OC(C)CN(C1)N=O,0.545188307762146
CC1OC(C)CN(C1)C1CCCCCCCCCCC1.CC(=O)O,0.21944835782051086
CC1OC(C)OC(OC(O1)C)C,0.3861424326896668
CC1c2ccccc2-c2c1cc(C)c(c2)C,0.5517569184303284
CC=C,0.251136839389801
CC1c2ccccc2-c2c1cccc2,0.553863525390625
CCBr,0.3682823777198792
CCC#N,0.21375736594200132
CCC#C[C@H]([C@@]1(CC=C)C(=O)NC(=O)N(C1=O)C)C,0.2882803082466125
CCC(=C)C(=O)c1ccc(c(c1Cl)Cl)OCC(=O)O,0.2458639889955521
CC1CCC2(OC1)OC1C(C2C)C2(C(C1)C1CC=C3C(C1CC2)(C)CCC(C3)O)C,0.4786274433135986
CCC(=C1C(=O)CC(CC1=O)C(=O)O)[O-].CCC(=C1C(=O)CC(CC1=O)C(=O)O)[O-].[Ca+2],0.3283877670764923
CCC(=N)C1=C(O)CC(CC1=O)CC(S(=O)(=O)CC)C,0.3586302399635315
CCC(=C)C=O,0.37330588698387146
CCC(=O)/C=C/C1C(=CCCC1(C)C)C,0.4090216159820557
CCC(=O)C(=O)CC,0.2482838630676269
CCC(=O)C(=O)C,0.3112184405326843
CCC(=O)C,0.24434752762317655
CCC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)CC,0.4288090765476227
CCC(=O)C=C,0.2604392468929291
CCC(=O)N(c1ccc(cc1)/C=C/c1ccccc1)O,0.4513647556304932
CCC(=O)N(C1CCCC1N(C)C)c1ccc(c(c1)Cl)Cl,0.30516019463539124
CCC(=O)C1c2cccc(c2C(=O)c2c1cccc2O)O,0.5017862319946289
CCC(=O)NCc1ccccc1,0.20089885592460632
CCC(=O)N(c1ccc(cc1)c1ccccc1)O,0.4044187664985657
CCC(=O)N(c1ccc2c(c1)cccc2)O,0.6311184167861938
CCC(=O)Nc1ccc(c(c1)Cl)Cl,0.39555686712265015
CC(=O)O[C@@H]1C(=O)[C@]2(C)[C@@H](O)C[C@@H]3[C@]([C@H]2[C@@H]([C@@]2(C(C1=C(C)[C@@H](OC(=O)[C@@H]([C@H](c1ccccc1)NC(=O)c1ccccc1)O)C2)(C)C)O)OC(=O)c1ccccc1)(CO3)OC(=O)C,0.5238965749740601
CCC(=O)O.[Na+],0.08975788950920105
CCC(=O)O,0.08975788950920105
CCC(=O)Nc1snc2c1cc(C)cc2,0.5924276113510132
CCC(=O)Nc1snc2c1cccc2,0.4016457498073578
CCC(=O)OCc1ccc(cc1)[N+](=O)[O-],0.3642638325691223
CCC(=O)OCc1cccc(c1)[N+](=O)[O-],0.19103565812110898
CCC(=O)OCc1ccccc1[N+](=O)[O-],0.41188621520996094
CCC(=O)n1ncc(c(c1=O)Cl)Cl,0.4840983748435974
CCC(C(=O)NC(=O)N)(CC)Br,0.3809415102005005
CCC(=O)c1c2cccc(c2c(c2c1cccc2O)O)O,0.5482295751571655
CCC(C)(C)C,0.16645443439483645
CCC(C)C,0.27858883142471313
CCC(C(=O)OC1=C(C(=O)OC21CCCCC2)c1cc(Cl)cc(c1)Cl)(C)C,0.15619613230228424
CCC(C1NC(=O)C(=C1O)C(=O)C)C,0.2556437849998474
CCC(CC(CC(Cl)C)Cl)Cl,0.24757209420204165
CCC(CO)(CO)CO,0.3687495589256287
CCC(=O)OC1(C(C)CC2C1(C)CC(O)C1C2C(Cl)CC2=CC(=O)C=CC12C)C(=O)COC(=O)CC,0.5653325319290161
CCC(=O)O[C@@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H](O)[C@H]1[C@H]2[C@@H](Cl)CC2=CC(=O)C=C[C@]12C)C(=O)COC(=O)CC,0.5236976742744446
CCC(COC(=O)CCCCC(=O)O)CCC(=O)C,0.15841077268123627
CCC(COC(=O)C(=C)C)(COC(=O)C(=C)C)COC(=O)C(=C)C,0.2712976038455963
CCC(COC(=O)CCCCC(=O)O)CCC(O)C,0.25811806321144104
CCC(COC(=O)c1ccccc1C(=O)O)CCC(O)C,0.13526475429534912
CCC(COC(=O)c1ccccc1C(=O)O)CCCC(=O)O,0.16716477274894714
CCC(C(N(C(=O)C(C(C)C)NC(=O)C(N(C)C)C(C)C)C)C(CC(=O)N1CCCC1C(C(C(=O)NC(c1nccs1)Cc1ccccc1)C)OC)OC)C,0.2932053208351135
CCC(COC(=O)c1ccccc1C(=O)O)CCC(=O)C,0.19644466042518616
CCC([N+](=O)[O-])CC,0.39334386587142944
CCC(OC)(C)C,0.20513670146465304
CCC(OS(=O)(=O)C)C,0.3444598317146301
CCC(Nc1snc2c1cccc2)C,0.5556357502937317
CCC(c1cc(N2Nc3c(N2)cccc3)c(c(c1)C(CC)(C)C)O)(C)C,0.5134566426277161
CCC(c1cc(cc(c1O)[N+](=O)[O-])[N+](=O)[O-])C,0.4659942984580994
CCC(c1ccc(cc1)O)(C)C,0.37717723846435547
CCC(c1ccc(cc1)C[N+](C)(C)C)CC(c1cccc(c1)C(CC)C)C,0.233776330947876
CCC(n1c(=O)[nH]c(c(c1=O)Br)C)C,0.3938917815685272
CCC(c1cc(n2nc3c(n2)cccc3)c(c(c1)C(CC)(C)C)O)(C)C,0.4841835498809815
CCC(c1cccc(c1)OC(=O)N(N=O)C)CC,0.3877363502979279
CCC/C=C(/C=O)\CC,0.4138036668300629
CCC(c1noc(c1)NC(=O)c1c(OC)cccc1OC)(CC)C,0.28578397631645197
CC/[N+](=C/1\C=C/C(=C(\c2ccc(cc2)N(Cc2cccc(c2)S(=O)(=O)O)CC)/c2ccc(cc2)N(C)C)/C=C1)/Cc1cccc(c1)S(=O)(=O)O.[Na+],0.3364511728286743
CCC/C=C/C=O,0.36508870124816895
CCC/C=C(\C=O)/CC,0.3607200086116791
CCC/C=N\O,0.3818020522594452
CCC/N=N/O.[K+],0.2531696259975433
CCC1(C(=O)NC(=O)NC1=O)c1ccccc1,0.27586838603019714
CCC1(C)CO1,0.28840965032577515
CCC1(C(=O)NCNC1=O)c1ccccc1,0.3046396970748901
CCC1(OCCc2c1[nH]c1c2cccc1C(O)C)CC(=O)O,0.4595910608768463
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CCN(c1ccc(cc1)N=Nc1ccc(cc1)[N+](=O)[O-])CC,0.6340262293815613
CCN(c1ccc(cc1)N)CC,0.6808859705924988
CCN(c1ccc(cc1)N=Nc1ccc(cc1Cl)[N+](=O)[O-])CC,0.579602837562561
CCN(c1ccc(cc1)C(=C1C=CC(=[N+](CC)CC)C=C1)c1ccccc1)CC,0.5417966842651367
CCN(c1ccc(cc1)N=Nc1ccc(cc1C#N)[N+](=O)[O-])CC,0.5860695242881775
CCN(c1ccc(cc1)N=O)CC,0.6807254552841187
CCN(c1ccc(cc1)[N+]#N)CC,0.6535026431083679
CCN(c1ccc(cc1)N=Nc1ccccc1)CC,0.6424226760864258
CCN(c1ccc(cc1)[N+](=O)[O-])CC,0.7099995613098145
CCN(c1ccc(cc1)N=Nc1cccnc1)CC,0.5739194750785828
CCN(c1ccc(cc1)N=Nc1ccc(cc1Cl)[N+](=O)[O-])CC[N+](C)(C)C,0.5750514268875122
CCN(c1ccc2c(c1)oc(=O)cc2C(F)(F)F)CC,0.4210568964481354
CCN(c1ccc(cc1)c1ccc(cc1)c1ccc(cc1)N(CC)CC)CC,0.5551503300666809
CCN(c1ccc2-c3c(Cc2c1)cccc3)C(=O)C,0.5245257616043091
CCN(c1ccc2c(c1)[o+]c1c(n2)ccc(c1)N(CC)CC)CC,0.5886130928993225
CCN(c1ccc2c(c1)oc(=O)cc2C)CC,0.4471272528171539
CCN(c1ccc(cc1)c1ccc(cc1)c1ccc(cc1)c1ccc(cc1)N(CC)CC)CC,0.5309364199638367
CCN(c1ccc2c(c1)[o+]c1c(c2c2ccccc2C(=O)O)ccc(c1)N(CC)CC)CC,0.40195274353027344
CCN(c1ccc2c(c1)oc(=O)c(c2)c1nc2c(n1C)cccc2)CC,0.4685402512550354
CCN(c1cccc(c1)O)CC,0.4857950806617737
CCN(c1ccccc1)Cc1ccccc1,0.5618400573730469
CCN(c1ccccc1)CC,0.4533721506595612
CCN(c1ccc2c(c1)oc1-c(c2c2ccccc2C(=O)O)ccc(=[N+](CC)CC)c1)CC,0.4744428098201752
CCN(c1ccccc1)N,0.6420378684997559
CCN(c1ccccc1)N=O,0.7369011640548706
CCN/N=N/CC,0.3864973485469818
CCN,0.4123395085334778
CCN(c1nc(cc(n1)C)OP(=S)(OC)OC)CC,0.4010867476463318
CCN1CCN=N1,0.6508428454399109
CCN(c1ccc2c(c1)oc1-c(c2c2ccc(cc2S(=O)(=O)O)S(=O)(=O)O)ccc(=[N+](CC)CC)c1)CC.[Na+],0.43447965383529663
CCN(c1ccc2c(c1)oc1-c(c2c2ccc(cc2S(=O)(=O)O)S(=O)(=O)O)ccc(=[N+](CC)CC)c1)CC,0.44508248567581177
CCN1CCOCC1,0.3830342888832092
CCN1CCN(CC1)c1cc2c(cc1F)c(=O)c(cn2C1CC1)C(=O)O,0.447786808013916
CCN=C=S,0.30030128359794617
CCN1CCNC(=O)C1=O,0.44361957907676697
CCN=[N+](C)[O-],0.3668119311332703
CCN1CCN(C(=O)C1=O)C(=O)N[C@@H](C(=O)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)c1ccccc1.[Na+],0.2038330584764481
CCN=NO,0.19638606905937195
CCN1CCN(C(=O)C1=O)C(=O)NC(C(=O)NC1C(=O)N2C1SC(C2C(=O)O)(C)C)c1ccccc1,0.2248009443283081
CCN1CCN(C(=O)C1=O)C(=O)N[C@@H](C(=O)N[C@@H]1C(=O)N2[C@H]1SC([C@@H]2C(=O)O)(C)C)c1ccccc1,0.2395893335342407
CCN=[N+](CC)[O-],0.3823214173316956
CCN=NC(OO)(C)C,0.4928483068943024
CCNC(=N)N([N+](=O)[O-])N=O,0.6008114218711853
CCNC(=O)NC(=O)/C(=N/OC)/C#N,0.3562182784080505
CCNC(=O)CC[C@@H](C(=O)O)N,0.35611921548843384
CCNC(=O)CCC(C(=O)O)N,0.3656151592731476
CCNC(=O)C(OC(=O)Nc1ccccc1)C,0.3616488873958588
CCNC(=S)NCC,0.2899951040744781
CCNS(=O)(=O)c1ccc(cc1)C,0.5256235003471375
CCNC(=O)Nc1ccc(c(c1)C(=O)C)OCC(CNC(C)(C)C)O,0.3443106114864349
CCNCC,0.4668236374855042
CCNN=NCC,0.3111208975315094
CCNC(=O)Nc1ccc(c(c1)C(=O)C)OC[C@@H](CNC(C)(C)C)O,0.3472079038619995
CCNCC#CC(OC(=O)C(c1ccccc1)(C1CCCCC1)O)(C)C,0.18507571518421173
CCNCC#CC(OC(=O)[C@@](c1ccccc1)(C1CCCCC1)O)(C)C.Cl,0.17435668408870694
CCNc1cccc(c1)O,0.4573870301246643
CCNc1nc(Cl)nc(n1)NC(C)(C)C,0.34619277715682983
CCNS(=O)(=O)c1ccccc1C,0.4978024065494538
CCNc1ccccc1,0.5529367327690125
CCNc1cc2oc(=O)cc(c2cc1C)C,0.4816853404045105
CCNc1nc(NC(C)C)[nH]c(=O)n1,0.3847062587738037
CCNc1nc(N)nc(n1)Cl,0.2910739779472351
CCO,0.38598015904426575
CCNc1nc(O)nc(n1)NC(C)(C)C,0.3330203890800476
CCNc1nc(NC(C)C)nc(n1)Cl,0.22317032516002652
CCNc1nc(NC(C)C)nc(n1)O,0.2594556212425232
CCNc1nc(NCC)nc(n1)Cl,0.2952881157398224
CCNc1snc2c1cccc2,0.7176297903060913
CCOC(=O)C(=C)C#N,0.30803972482681274
CCOC(=O)C(=C)C,0.2977357506752014
CCOC(/C=C(\CCC=C(C)C)/C)OCC,0.398174911737442
CCO/N=C(/C1=C(O)CC(CC1=O)(O)C1CCCS(=O)C1)\CCC,0.3881378769874573
CCO/N=C(/C1=C(O)CC(CC1=O)C1CCCS(=O)C1)\CCC,0.3067031800746918
CCO/N=C(/C1=C(O)CC(CC1=O)C1CCCSC1)\CCC,0.29975825548172
CCOC(=O)C(=O)C,0.3720560669898987
CCOC(=O)C(Br)C,0.4273830950260161
CCOC(=O)C(C(=O)C)Cl,0.5108842849731445
CCOC(=O)C(CS)N,0.3703742027282715
CCOC(=O)C(=NNc1ccc(cc1)c1ccc(cc1)NN=C(C(=O)OCC)C(=O)OCC)C(=O)OCC,0.5087478756904602
CCOC(=O)C(Oc1ccc(cc1)Cl)(C)C,0.2772502303123474
CCOC(=O)C(Cc1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C)Cl,0.4367527067661285
CCOC(=O)C(=NNc1ccc(cc1OC)c1ccc(c(c1)OC)NN=C(C(=O)OCC)C(=O)OCC)C(=O)OCC,0.5342021584510803
CCOC(=O)C(=NNc1ccc(cc1Cl)c1ccc(c(c1)Cl)NN=C(C(=O)OCC)C(=O)OCC)C(=O)OCC,0.449282705783844
CCOC(=O)C,0.28772348165512085
CCOC(=O)C1C(C1(C)C)C=C(C)C,0.3963682949542999
CCOC(=O)C(Oc1ccc(cc1)Oc1nc2c(o1)cc(cc2)Cl)C,0.2675575911998749
CCOC(=O)C(NC(C(=O)N1C2CCCCC2CC1C(=O)O)C)CCc1ccccc1,0.20967383682727814
CCOC(=O)C1CC(=O)C(=C(C2CC2)O)C(=O)C1,0.412749856710434
CCOC(=O)C(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)O,0.3869035840034485
CCOC(=O)CC(=O)CCl,0.4452487528324127
CCOC(=O)CBr,0.5491880178451538
CCOC(=O)C=C,0.30724990367889404
CCOC(=O)CC(=O)C,0.2960025668144226
CCOC(=O)CC(C(=O)O)SP(=S)(OC)OC,0.22538916766643524
CCOC(=O)CC(O)C,0.34149378538131714
CCOC(=O)C1OC1C(=O)NC(C(=O)NCCC(C)C)CC(C)C,0.4102233052253723
CCOC(=O)CC(C)C,0.15089546144008634
CCOC(=O)CC(C(=O)OCC)SP(=S)(OC)OC,0.303608238697052
CCOC(=O)CC(C(=O)OCC)SP(=S)(OC)O,0.33300891518592834
CCOC(=O)CNC(=O)C(Br)C,0.4944674074649811
CCOC(=O)CNC(=O)C(Br)(C)C,0.4196620881557465
CCOC(=O)C1=C(C)N=C(C(=C(OCC2COC3(O2)CCCC3)O)C1c1cccc(c1)Cl)C,0.2728560566902161
CCOC(=O)CCl,0.5338023900985718
CCOC(=O)CNC(=O)C=[N+]=[N-],0.39799243211746216
CCOC(=O)CNC(=O)CBr,0.4592365324497223
CCOC(=O)CNC(=O)[C@H](Br)C,0.3485157787799835
CCOC(=O)CNC(=O)CCCCSc1[nH]cnc2-c1ncn2,0.2039116322994232
CCOC(=O)CCN(C(C)C)SN(C(=O)Oc1cccc2c1OC(C2)(C)C)C,0.2288987636566162
CCOC(=O)CNC(=O)CCCCSc1ncnc2c1nc[nH]2,0.23939184844493866
CCOC(=O)COc1cc(c(cc1Cl)F)c1nn(c(c1Cl)OC(F)F)C,0.4441390037536621
CCOC(=O)C[C@@H](C(=O)OCC)SP(=S)(OC)OC,0.3146771788597107
CCOC(=O)COc1ccc2c(c1)oc(cc2=O)c1ccccc1,0.3921380937099457
CCOC(=O)C[n+]1csc2c1cccc2,0.5036589503288269
CCOC(=O)C[C@H](C(=O)OCC)SP(=O)(OC)OC,0.419508308172226
CCOC(=O)C[C@@H](C(=O)OCC)S[P@](=O)(SC)OC,0.4151561856269837
CCOC(=O)N(C)C,0.4380159378051758
CCOC(=O)CSc1ccc2-c3ccccc3C(=O)c3c2c1ccc3,0.5586956739425659
CCOC(=O)N(CCOC(=O)C)N=O,0.5938374400138855
CCOC(=O)N(CCCC(=O)c1cccnc1)N=O,0.27172029018402105
CCOC(=O)N(N=O)CC,0.40821248292922974
CCOC(=O)N,0.35312899947166443
CCOC(=O)Cc1c(C(=O)O)c2c(n1C)cccc2,0.4338590502738953
CCOC(=O)NNc1nncc2c1cccc2.Cl,0.4087003767490387
CCOC(=O)OC(=O)OCC,0.4987331926822662
CCOC(=O)NCCOc1ccc(cc1)Oc1ccccc1,0.34814852476119995
CCOC(=O)Nc1cccc2c1nc1-c2c[nH]cc1,0.3985725939273834
CCOC(=O)NNc1nncc2c1cccc2,0.6059181094169617
CCOC(=O)OCC,0.27646687626838684
CCOC(=O)[C@@H](C(=O)C)Cl,0.5243607759475708
CCOC(=O)OC1=C(C(=O)NC21CCC(CC2)OC)c1cc(C)ccc1C,0.2383120507001877
CCOC(=O)OC(c1ccnc2c1cc(OC)cc2)C1CC2CCN1CC2C=C,0.44783669710159296
CCOC(=O)[C@@H](N[C@H](C(=O)N(C1Cc2c(C1)cccc2)CC(=O)O)C)CCc1ccccc1,0.2723476886749268
CCOC(=O)O[C@H](c1ccnc2c1cc(OC)cc2)[C@@H]1C[C@@H]2CCN1C[C@@H]2C=C,0.3982850909233093
CCOC(=O)[C@@H](C[C@](C(=O)O)(C[C@H](C(=O)OCC)C[C@@](C(=O)O)(CC)C)C)C[C@](C(=O)O)(C[C@@H](C(=O)OCC)C)C,0.1329389214515686
CCOC(=O)[C@@H](O)C,0.3420349061489105
CCOC(=O)[C@@H](N[C@H](C(=O)N1[C@H]2CCCC[C@@H]2C[C@H]1C(=O)O)C)CCc1ccccc1,0.2322813719511032
CCOC(=O)[C@@H](N[C@H](C(=O)N(C1Cc2c(C1)cccc2)CC(=O)O)C)CCc1ccccc1.Cl,0.2230234891176224
CCOC(=O)[C@@H](c1ccccc1)SP(=S)(OC)OC,0.2521856427192688
CCOC(=O)[C@@H]1O[C@H]1c1ccccc1,0.3425099849700928
CCOC(=O)[C@H](Br)C,0.4727512001991272
CCOC(=O)[C@@H]1O[C@]1(C)c1ccccc1,0.4890999794006348
CCOC(=O)[C@H]1[C@@H](C1(C)C)C=C(C)C,0.3116469085216522
CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@H](C(=O)NCCC(C)C)CC(C)C,0.3495791554450989
CCOC(=O)[C@H](Oc1ccc(cc1)Oc1nc2c(o1)cc(cc2)Cl)C,0.22119887173175806
CCOC(=O)c1[n+]([O-])nnc2c1n(C)c1c2cccc1,0.5655947327613831
CCOC(=O)c1[nH]c2c(c1/N=C/c1cc(OC)c(c(c1)OC)OC)cccc2,0.5577417612075806
CCOC(=O)[C@H](Oc1ccc(cc1)Oc1cnc2c(n1)ccc(c2)Cl)C,0.27121251821517944
CCOC(=O)c1[nH]c2c(c1/N=C/c1ccc(cc1)C)cccc2,0.5876128673553467
CCOC(=O)c1ccc(cc1)N(C=O)O,0.4478766322135925
CCOC(=O)c1[nH]c2c(c1/N=C/c1ccc(cc1)[N+](=O)[O-])cccc2,0.6099809408187866
CCOC(=O)c1[nH]c2c(c1/N=C/c1ccc(cc1)NC(=O)C)cccc2,0.5551156997680664
CCOC(=O)c1ccccc1C(=O)OCC,0.4802342355251312
CCOC(=O)c1cc2cc3CCCN4c3c(c2oc1=O)CCC4,0.5295242667198181
CCOC(=O)c1[nH]c2c(c1/N=C/c1ccc(cc1)O)cccc2,0.5442460775375366
CCOC(C(=O)C(O)O)C,0.4627730846405029
CCOC(=O)c1cccc2c1nccc2,0.4917113184928894
CCOC(=O)c1ccccc1N,0.4639155864715576
CCOCC(=O)O,0.24394623935222626
CCOC(C)(C)C,0.12344624847173692
CCOC1=CC(=O)C(=CC1=O)NC(=O)C,0.551439642906189
CCOC1Oc2c(C1(C)C)cc(cc2)OS(=O)(=O)C,0.3262800276279449
CCOCC,0.22258630394935608
CCOCC=O,0.37380701303482056
CCOCCOC(=O)C,0.4654399752616882
CCOCCOC(=O)/C=C/c1ccc(cc1)OC,0.4711208939552307
CCOCCOC(=O)/C=C\c1ccc(cc1)OC,0.431757926940918
CCOC1=CC(c2ccccc2)(c2ccccc2)N(c2c1cccc2)O,0.5369758605957031
CCOCCOCC,0.3562880456447601
CCOCCOC(=O)c1cc(ccc1N)Cc1ccc(c(c1)C(=O)OCCOCC)N,0.4667341709136963
CCOC(=O)c1ccccc1c1c2-c(oc3c1cc(C)c(c3)NCC)cc(=NCC)c(c2)C,0.5284349322319031
CCOCCOCCOCC,0.3464811444282532
CCOCN(c1c(C)cccc1CC)C(=O)CCl,0.5012748837471008
CCOCOCC,0.4179440438747406
CCOCCc1c(nc(n2c1ncn2)N)c1ccccc1,0.5803553462028503
CCOC(=O)c1ccccc1c1c2-c(oc3c1cc(C)c(c3)NCC)c/c(=N\CC)/c(c2)C,0.5284349322319031
CCOC[C@H]1CO1,0.5415545701980591
CCOC[C@H](COc1ccc(cc1)NC(=O)CC[S+](C)C)O,0.3459399342536926
CCON(C(=O)c1ccccc1)OC(=O)C,0.4469982981681824
CCOCc1c(O)cc2c(c1O)C(=O)c1c(C2=O)cccc1,0.5351733565330505
CCONC(=C1C(=O)CC(CC1=O)c1c(C)cc(cc1C)C)CC,0.4580660462379456
CCOO,0.2364501953125
CCOP(=O)(N(C)C)C#N,0.6091024279594421
CCOP(=O)(O/C(=C/Br)/c1ccc(cc1Cl)Cl)OCC,0.5183076858520508
CCOP(=O)(O/C(=C\Br)/c1ccc(cc1Cl)Cl)OCC,0.452244758605957
CCOP(=O)(OCC)OCC,0.3963944315910339
CCOP(=O)(N1[C@@H]2[C@H]1c1ccccc1-c1c2cccc1)OCC,0.5485994815826416
CCOP(=O)(O/C(=C\Cl)/c1ccc(cc1Cl)Cl)OCC,0.5025572180747986
CCOP(=O)(N1C2C1c1ccccc1-c1c2cccc1)OCC,0.6186389923095703
CCOP(=O)(Oc1cc(C)ccc1[N+](=O)[O-])NC(CC)C,0.465416669845581
CCOP(=O)(Oc1ccc(cc1)[N+](=O)[O-])OCC,0.4975878298282623
CCOP(=O)(Oc1ccc(c(c1)C)SC)NC(C)C,0.41448450088500977
CCOP(=O)(Oc1ccccc1C(=O)OC(C)C)NC(C)C,0.4158112406730652
CCOP(=O)(Oc1nc(Cl)c(cc1Cl)Cl)OCC,0.37754210829734797
CCOP(=O)(SCCN(C(C)C)C(C)C)C,0.37478646636009216
CCOP(=O)(SC(CC)C)SC(CC)C,0.35817795991897583
CCOP(=S)(OCC(C)C)SCCl,0.3477979302406311
CCOP(=O)(Oc1noc(c1)c1ccccc1)OCC,0.4488085210323334
CCOP(=S)(OCC)SCSP(=S)(OCC)OCC,0.37751564383506775
CCOP(=S)(OP(=S)(OCC)OCC)OCC,0.3911513686180115
CCOCn1c(=O)n(cc(c1=O)F)C(=O)c1cccc(c1)C(=O)Oc1nc(ccc1C#N)OC(=O)c1ccccc1,0.21650180220603946
CCOP(=S)(Oc1ccc(cc1)S(=O)C)OCC,0.4235936999320984
CCOP(=S)(Oc1cc(C)nc(n1)C(C)C)OCC,0.1913667470216751
CCOP(=S)(Oc1cnc2c(n1)cccc2)OCC,0.4062545895576477
CCOCn1cc(F)c(=O)n(c1=O)C(=O)c1cccc(c1)C(=O)Oc1nc(ccc1C#N)OC(=O)c1ccccc1,0.1956426352262497
CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])OCC,0.4664537906646729
CCOP(=S)(SCCl)OCC,0.4484264254570007
CCOP(=S)(Oc1ccc2c(c1)oc(=O)c(c2C)Cl)OCC,0.2678709030151367
CCOP(=S)(Oc1nc(Cl)c(cc1Cl)Cl)OCC,0.2925027906894684
CCOP(=S)(Oc1nn(c(n1)Cl)C(C)C)OCC,0.22231662273406985
CCOS(=O)(=O)OCC,0.3917394876480103
CCOS(=O)(=O)C,0.2959275841712952
CCOP(=S)(SCSC(C)(C)C)OCC,0.3891376852989197
CCOP(=S)(SCn1c(=O)oc2c1ccc(c2)Cl)OCC,0.3091233670711517
CCOP(=S)(S[C@@H]1OCCO[C@H]1SP(=S)(OCC)OCC)OCC,0.3800289630889893
CCO[P@@](=O)(N(C)C)C#N,0.639835000038147
CCOS(=O)(=O)c1ccccc1,0.4834546446800232
CCOS(=O)(=O)c1ccc(cc1)C,0.5166164040565491
CCO[P@@](=O)(Oc1ccc(c(c1)C)SC)NC(C)C,0.39107105135917664
CCO[Si](OCC)(OCC)C,0.2233819961547852
CCO[C@@H]1O[C@H](OCC)C[C@H]2[C@@]1(C)C[C@H]1[C@@H](C[C@@H]2C)OC(=O)C1=C,0.3021880090236664
CCOc1cc(C=O)ccc1O,0.5006581544876099
CCO[P@@](=O)(c1ccccc1)Oc1ccc(cc1)[N+](=O)[O-],0.460212379693985
CCOc1cc(ccc1OCC)NC(=O)OC(C)C,0.4627368450164795
CCOc1ccc(cc1)/N=[N+](/c1ccc(cc1)OCC)\[O-],0.6071780920028687
CCOc1cc(ccc1[N+](=O)[O-])Oc1ccc(cc1Cl)C(F)(F)F,0.4502275586128235
CCOc1cc2C(=O)CCc2c2c1c1ccccc1cc2,0.6648033857345581
CCOc1ccc(cc1)C(COCc1cccc(c1)Oc1ccccc1)(C)C,0.4077895283699036
CCOc1ccc(cc1)N(C(=O)C)O,0.5334568023681641
CCOc1ccc(cc1)N,0.610479474067688
CCOc1ccc(cc1)N=O,0.6909270286560059
CCOc1ccc(cc1)NC(=O)N,0.5356501340866089
CCOc1ccc(cc1)NO,0.5352224111557007
CCOc1ccc(cc1)N=[N+](c1ccc(cc1)OCC)[O-],0.5370121598243713
CCOc1ccc(cc1)NC(=O)C[C@H](O)C,0.3646416664123535
CCOc1ccc(cc1[N+](=O)[O-])NC(=O)C,0.5118988752365112
CCOc1ccc(cc1N)NC(=O)C,0.4746522009372711
CCOc1ccc(cc1N)N,0.6049901843070984
CCOc1ccc(cc1)[N+](=O)[O-],0.6033036112785339
CCOc1ccc(cc1NC(=O)C(=O)Nc1ccccc1CC)C(C)(C)C,0.2755776345729828
CCOc1cccc(c1)N,0.5374486446380615
CCOc1ccc2c(c1)sc(n2)N,0.6925542950630188
CCOc1ccc2c(c1)C(=CC(N2)(C)C)C,0.41749930381774897
CCOc1ccc2c(c1)c(N)c1c(n2)cc(cc1)N,0.7052808403968811
CCOc1ccccc1C(=O)N,0.4374867975711823
CCOc1cccc2c1nccc2,0.5396497845649719
CCOc1cccc(c1)[N+](=O)[O-],0.6236332058906555
CCOc1ccccc1N,0.5808127522468567
CCOc1ccccc1[N+](=O)[O-],0.575244128704071
CCOc1ccccc1OCC1CNCCO1,0.3843153119087219
CCOc1ccccc1OC[C@@H]1CNCCO1.Cl,0.4420651495456696
CCOc1nc(N)nc(n1)N,0.3629179000854492
CCOc1nc(NC)nc(n1)N,0.4215551912784576
CCOc1nc(NC(=O)N)nc(n1)NC,0.303782731294632
CCOc1nc(ns1)C(=O)O,0.28355395793914795
CCOc1snc(n1)C(Cl)(Cl)Cl,0.17286835610866547
CCP(=O)(OCC)OCC,0.3479287922382355
CCOc1nc(nc(n1)N)NC(=O)NS(=O)(=O)c1ccccc1C(=O)O,0.19357115030288696
CCS(=O)(=O)C(CC(CC(=O)O)CC(=O)O)C,0.24509236216545105
CCOc1nc(nc(n1)NC)NC(=O)NS(=O)(=O)c1ccccc1C(=O)O,0.1008702516555786
CCS(=O)(=O)c1cccnc1S(=O)(=O)N,0.4565571248531342
CCS(=O)(=O)CCn1c(C)ncc1[N+](=O)[O-],0.372234970331192
CCS(=O)C(CC(CC(=O)O)CC(=O)O)C,0.23075509071350095
CCS(=O)(=O)c1nc2n(c1S(=O)(=O)NC(=O)NC(=N)N)cccc2,0.38242432475090027
CCS,0.1968422532081604
CCS(=O)CCSP(=O)(OC)OC,0.4291359782218933
CCS(=O)(=O)c1nc2n(c1S(=O)(=O)NC(=O)NC(=O)N)cccc2,0.33257877826690674
CCSC(=O)Cl,0.4032188951969147
CCSCCOP(=S)(OC)OC.CCSCCSP(=O)(OC)OC,0.3181788921356201
CCSC(=O)N1CCCCCC1,0.3852235376834869
CCSCCOP(=S)(OC)OC,0.2871080935001373
CCSCCSP(=S)(OC)OC,0.343149334192276
CCSCCOP(=S)(OCC)OCC,0.3482953906059265
CCSCCSP(=O)(OC)OC,0.39895331859588623
CC[C@@H](CN)O,0.4043288826942444
CCSCSP(=S)(OCC)OCC,0.39295637607574463
CCSCC[C@@H](C(=O)O)N,0.3922490775585175
CCSc1cc(ccc1N)Cc1ccc(c(c1)SCC)N,0.5522540807723999
CC[C@@H](NCCN[C@@H](CO)CC)CO,0.3092731535434723
CC[C@@H](NCCN[C@@H](CO)CC)CO.Cl.Cl,0.3773458003997803
CC[C@@H]1NC(=O)c2c(N1)cc(c(c2)S(=O)(=O)N)Cl,0.4086855053901672
CC[C@H](N)C,0.19903436303138733
CC[C@H](COC(=O)/C=C/c1ccc(cc1)/N=C/c1ccc(cc1)OC)C,0.33962029218673706
CC[C@H](NC(=O)/C=C/c1ccc(o1)[N+](=O)[O-])C,0.3959383368492127
CC[C@H](Nc1ccc(cc1)N[C@@H](CC)C)C,0.43620890378952026
CC[C@H](OC(=O)/C=C/c1ccc(o1)[N+](=O)[O-])C,0.4750676155090332
CC[C@H](OS(=O)(=O)C)C,0.2927891612052917
CC[C@H]([C@@H](CO)C)C,0.3248879909515381
CC[C@@H](C(C)C)CC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CC[C@@H](C2)O)C,0.4383215308189392
CC[C@H]([N+](=O)[O-])CO,0.4277490079402924
CC[C@H]([N+](=O)[O-])[C@H](O)C,0.30427104234695435
CC[C@H](c1ccccc1O)C,0.35465824604034424
CC[C@H]([C@@H](N(C(=O)[C@@H](C(C)C)NC(=O)[C@H](N(C)C)C(C)C)C)[C@@H](CC(=O)N1CCC[C@H]1[C@@H]([C@@H](C(=O)N[C@@H](c1nccs1)Cc1ccccc1)C)OC)OC)C,0.2536868751049042
CC[C@H]1CO1,0.5025001764297485
CC[C@@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](C(=O)[C@@H]([C@H]([C@]1(C)O)O)C)C)(C)O,0.43079549074172974
CC[C@@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](C(=O)[C@@H]([C@H]([C@]1(C)O)O)C)C)(C)O.CCCCCCCCCCCCCCCCCC(=O)O,0.43079549074172974
CC[C@H]1CN2CCc3c([C@H]2C[C@H]1C[C@H]1NCCc2c1cc(OC)c(c2)OC)cc(c(c3)OC)OC,0.5615423321723938
CC[C@]1(OCCc2c1[nH]c1c2cc(cc1CC)O)CC(=O)O,0.3932436108589173
CC[C@H]1CN2CCc3c([C@H]2C[C@H]1C[C@H]1NCCc2c1cc(OC)c(c2)OC)cc(c(c3)OC)OC.Cl.Cl,0.5276161432266235
CC[C@]1(OCCc2c1[nH]c1c2ccc(c1CC)O)CC(=O)O,0.3760696351528168
CC[C@]1(OCCc2c1[nH]c1c2cccc1[C@H](O)C)CC(=O)O,0.4239590764045715
CC[C@]1(OCCc2c1[nH]c1c2cccc1CC)CC(=O)O,0.4619248807430267
CC[C@]1(OCCc2c1n(C)c1c2cccc1)CC(=O)O,0.34806275367736816
CC[N+](=C1C=CC(=C(c2ccc(cc2)N(CC)CC)c2ccc(cc2)N(CC)CC)C=C1)CC,0.4449277818202973
CC[N+](=NC)[O-],0.5226976871490479
CC[N+](=c1ccc2-c(c1)oc1c(n2)c2ccccc2c(c1)N)CC,0.6215815544128418
CC[P@](=S)(Sc1ccccc1)OCC,0.3405238687992096
CC[S@@](=O)CCSP(=O)(OC)OC,0.4196683764457703
CC[Si](CC)(Cl)Cl,0.1818605363368988
CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](CN([C@@H]([C@@H]([C@]1(C)O)O)C)C)C)(C)O,0.331040233373642
CC[n+]1c2ccccc2nc2c1cccc2,0.7049598693847656
CC[n+]1c(c2ccccc2)c2cc(N)ccc2c2c1cc(N)cc2,0.6555138230323792
CC[n+]1c2ccccc2nc2c1cccc2.CCOS(=O)(=O)O,0.6711848378181458
CCc1[nH]c2c(n1)c1c(cc2)ccc2c1cc(O)cc2,0.4925199449062347
CCc1c(Br)c(Br)c(c(c1Br)Br)Br,0.2839401066303253
CCc1c2C3NC3c3c(-c2cc2c1cccc2)cccc3,0.8294901847839355
CCc1c2C3OC3c3c(-c2cc2c1cccc2)cccc3,0.661728024482727
CCc1c2ccc3c(c2c(c2c1cccc2)C)cccc3,0.6848334074020386
CCc1c2ccc3c(c2c(c2c1cccc2)CC)cccc3,0.6245472431182861
CCc1c2ccc3c(c2cc2c1cccc2)C1OC1C(C3O)O,0.6855641603469849
CCc1c2ccc3c(c2cc2c1cccc2)[C@@H]1O[C@@H]1[C@@H]([C@H]3O)O,0.6679380536079407
CCc1c2ccc3c(c2cc2c1cccc2)cccc3,0.6075152158737183
CCc1c2ccccc2c(c2c1c1ccccc1cc2)C,0.6326721906661987
CCc1c2ccccc2cc2c1c1ccccc1cc2,0.7374692559242249
CCc1cc(C)cc(c1C1(O)C(=O)N2N(C1=O)CCOCC2)CC,0.4319973886013031
CCc1cc(C)cc(c1c1c(OC(=O)C(C)(C)C)n2n(c1=O)CCOCC2)CC,0.3067831099033356
CCc1cc(CO)cc(c1C1(O)C(=O)N2N(C1=O)CCOCC2)CC,0.4737505912780762
CCO[C@H]1[C@@H](OC)[C@H](OC2C[C@@H]3[C@@H](C2)[C@@H]2C=C4C([C@@H]2CC3)CC(=O)O[C@@H](CC)CCC[C@@H]([C@H](C4=O)C)O[C@H]2CC[C@@H]([C@H](O2)C)N(C)C)O[C@H]([C@@H]1OC)C,0.4290458261966705
CCc1cc(Cc2cc(C)c(c(c2)CC)N)cc(c1N)C,0.5149194002151489
CCc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C,0.2458097189664841
CCc1cc(N)cc(c1Cc1c(C)cc(cc1CC)N)C,0.4851612150669098
CCc1cc(cc(c1N)CC)c1ccccc1,0.4672540128231049
CCc1cc2C(=O)CCc2c2c1c1ccccc1cc2,0.6493980288505554
CCc1cc(cc(c1c1c(O)n2n(c1=O)CCOCC2)CC)C(=O)O,0.3701693415641785
CCc1ccc(cc1)/C=C/c1ccc(cc1)[N+](=O)[O-],0.4805370271205902
CCc1cc2ccccc2c2c1c1C3OC3C(C(c1cc2)O)O,0.6200535893440247
CCc1ccc(cc1)C(=O)NN(C(C)(C)C)C(=O)c1cc(C)cc(c1)C,0.4895070493221283
CCc1cc2ccccc2c2c1c1[C@@H]3O[C@@H]3[C@@H]([C@H](c1cc2)O)O,0.593647301197052
CCc1ccc(cc1)C(=O)NN(C(C)(C)C)C(=O)c1cc(C)cc(c1)C=O,0.4739903509616852
CCc1ccc(cc1)C(c1ccc(cc1)CC)C(Cl)Cl,0.500341534614563
CCc1ccc(cc1)C,0.35618215799331665
CCc1ccc(cc1)C(=O)NN(C(C)(C)C)C(=O)c1cc(C)cc(c1)CO,0.40598973631858826
CCc1ccc(cc1)[N+](=O)[O-],0.6899305582046509
CCc1ccc(nc1)C(F)(F)F,0.5230081081390381
CCc1ccc(cc1)NC(=O)c1csc(c1)[N+](=O)[O-],0.4213898181915283
CCc1ccc(nc1)C,0.1799306571483612
CCc1ccc2-c3c(-c4c2c1ccc4)cccc3,0.6064602136611938
CCc1ccc2c(c1[N+](=O)[O-])C(=O)c1c(C2=O)cccc1,0.5680829882621765
CCc1cccc(c1)NC(=O)c1csc(c1)[N+](=O)[O-],0.2963975965976715
CCc1cccc(c1N)C,0.4336664080619812
CCc1cccc(c1NC(=O)C)CC,0.3051219880580902
CCc1cccc(c1N)CC,0.4747217297554016
CCc1cccc2c1[nH]c1c2CCOC1(C)CC,0.5453249216079712
CCc1cccc2c1nccc2,0.3603126704692841
CCc1cccc2c1oc(c2)[C@@H](CNC(C)(C)C)O,0.4202447533607483
CCc1cccc2c1[nH]c1c2CCO[C@@]1(C)CC,0.5300368070602417
CCc1ccccc1,0.3558311462402344
CCc1ccccc1N,0.5171431303024292
CCc1cccc2c1oc(c2)[C@@H](CNC(C)(C)C)O.Cl,0.4617383480072022
CCc1ccccc1NC(=O)c1csc(c1)[N+](=O)[O-],0.39705923199653625
CCc1ccccc1O,0.3421206474304199
CCc1ccco1,0.5160296559333801
CCc1ccccc1[N+](=O)[O-],0.5064565539360046
CCc1cnccn1,0.3583065867424011
CCc1ccnc2c1cccc2,0.5127810835838318
CCCCNCCCNCCCNC(=O)c1csc(n1)c1csc(n1)CCNC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H]([C@@H]([C@H](NC(=O)[C@H]([C@H](c1nc[nH]c1)O[C@@H]1O[C@@H](CO)[C@@H]([C@@H]([C@@H]1O[C@H]1O[C@H](CO)[C@H]([C@@H]([C@@H]1O)OC(=O)N)O)O)O)NC(=O)c1nc(nc(c1C)N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)C)O)C,0.26010656356811523
CCc1nc(N)nc(c1c1ccc(cc1)Cl)N,0.30390194058418274
CCc1nc2c(nc1CC)ccc(c2C)NC,0.5252140760421753
CCc1nn(c(c1Cl)C(=O)N)C,0.283829927444458
CCc1nccc(c1)C(=S)N,0.30222299695014954
CCc1nn(c(c1Cl)C(=O)NCc1ccc(cc1)C(C)(C)C)C,0.13264694809913635
CCc1nn(c(c1Cl)C(=O)Nc1ccc(cc1)C(C(=O)O)(C)C)C,0.298452228307724
CCc1noc(c1)NC(=O)c1c(OC)cccc1OC,0.3465952277183533
CCc1ccccc1Nc1ccc(c2c1C(=O)c1c(C2=O)c(O)ccc1O)Nc1ccccc1CC,0.4388241767883301
CC[N+](=C1C=CC(=C(c2ccc(cc2)S(=O)(=O)O)c2ccc(cc2)N(Cc2cccc(c2)S(=O)(=O)O)CC)C=C1)Cc1cccc(c1)S(=O)(=O)O,0.3309280276298523
CCn1c(N)nc2c1c(C)cc1c2cccn1,0.6080371141433716
CCn1c(N)nc2c1ccc1c2nc(cn1)C,0.5881404280662537
CCc1oc2c(n1)C(=O)CC(C2)CC(S(=O)(=O)CC)C,0.21427886188030246
CCn1c(N)nc2c1ccc1c2cccn1,0.6776243448257446
CCn1c(N)nc2c1ccc1c2ncc(n1)C,0.7081369757652283
CCn1c2ccc(cc2c2c1cccc2)N,0.6549338698387146
CCn1c2ccc(cc2c2c1cccc2)N.Cl,0.6413939595222473
CCn1cc(C(=O)O)c(=O)c2c1c(F)c(c1ccncc1)c(c2)F,0.3234212100505829
CCn1cc(C(=O)O)c(=O)c2c1c(F)c(c1ccc(cc1)O)c(c2)F,0.35150426626205444
CCO[C@H]1[C@@H](OC)[C@H](O[C@@H]2C[C@@H]3[C@@H](C2)[C@@H]2C=C4[C@H]([C@@H]2CC3)CC(=O)O[C@@H](CC)CCC[C@@H]([C@H](C4=O)C)OC2CC[C@@H]([C@H](O2)C)NC)O[C@H]([C@@H]1OC)C,0.5137240886688232
CCn1cc(C(=O)O)c(=O)c2c1cc(N1CCN(CC1)C)c(c2)F,0.4144418239593506
CCn1cc(C(=O)O)c(=O)c2c1c(F)c(N1CCNC(C1)C)c(c2)F,0.3708893656730652
CC[N+](=C1C=CC(=C(c2ccc(cc2S(=O)(=O)O)O)c2ccc(cc2)N(Cc2cccc(c2)S(=O)(=O)O)CC)C=C1)Cc1cccc(c1)S(=O)(=O)O,0.2860706150531769
CN(/C=N/c1ccc(cc1C)Cl)C,0.557252049446106
CCn1cc(C(=O)O)c(=O)c2c1cc1OCOc1c2,0.4661905169487
CCn1cc(C(=O)O)c(=O)c2c1nc(C)cc2,0.3722267746925354
CC[N+](=C1C=CC(=C(c2ccccc2S(=O)(=O)O)c2ccc(cc2)N(Cc2cccc(c2)S(=O)(=O)O)CC)C=C1)Cc1cccc(c1)S(=O)(=O)O,0.2735119462013245
CCn1nc(C(=O)O)c(=O)c2c1cc1OCOc1c2,0.5663905143737793
CCn1cc(C(=O)O)c(=O)c2c1nc(N1CCNCC1)c(c2)F,0.3211249113082886
CN(/N=N/c1ccc(cc1)[N+](=O)[O-])C,0.8749268651008606
CCn1cc(C(=O)O)c(=O)c2c1nc(nc2)N1CCNCC1,0.3308716118335724
CCn1cc(C(=O)O)c(=O)c2c1cc(N1CCNCC1)c(c2)F,0.437215268611908
CN(/N=N/c1ccc(cc1)Br)C,0.6597070693969727
CN(/N=N/c1ccc(cc1)C(=O)O)C.[K+],0.4643510282039642
CN(/N=N/c1ccc(cc1)Cl)C,0.6226898431777954
CN(/N=N/c1[nH]cnc1C(=O)N)C,0.4796703457832336
CN(C#N)C,0.4247419834136963
CN(C#N)N=O,0.5895794630050659
CN(C(=O)Nc1cc(Cl)cc(c1)Cl)C,0.4517412781715393
CN(C(=O)/C=C/c1ccc(o1)[N+](=O)[O-])C,0.5244811773300171
CN(C(=O)NC)N=O,0.5063849687576294
CN(C(=N)N(C)C)C,0.3007712960243225
CN(C(=O)C#N)C,0.3789882659912109
CN(C(=O)Cl)C,0.4269693791866303
CN(C(=O)N[C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)C=O)N=O,0.601768434047699
CN(C(=O)OCC)N=O,0.5063422322273254
CN(C(=S)N(C)C)C,0.3615975677967072
CN(C(=S)SSC(=S)N(C)C)C,0.4851310849189758
CN(C(=O)c1cccnc1S(=O)(=O)N)C,0.588074803352356
CN(C(=O)Nc1ccc(cc1)Cl)C,0.5321611166000366
CN(C(=S)SNCCNSC(=S)N(C)C)C,0.4857483804225922
CN(C(=O)Oc1nc(nc(c1C)C)N(C)C)C,0.3628848791122437
CN(C(c1ccccc1)(c1ccccc1)N(C)C)C,0.3925163447856903
CN(C1CCCCC1)C,0.2806120812892914
CN(CC(=O)O)C.Cl,0.3489092290401459
CN(C)C,0.5048099160194397
CN(C=O)N,0.6994611024856567
CN(C1Cc2cccc3c2c(C1)ccc3)C.Cl,0.6527407765388489
CN(C1Cc2cccc3c2c(C1)ccc3)C,0.6194730401039124
CN(CC/C=C\1/c2ccccc2OCc2c1cccc2)C,0.434258371591568
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CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C,0.1819187104701996
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CNC(=O)c1cc(cc(c1NC(=O)c1cc(nn1c1ncccc1Cl)Br)C)C(=O)O,0.2651277482509613
CNC1Cc2cccc3c2c(C1)ccc3.Cl,0.6519084572792053
CNC1Cc2cccc3c2c(C1)ccc3,0.6519084572792053
CNC(=O)c1cc(Cl)cc(c1NC(=O)c1cc(nn1c1ncccc1Cl)Br)C,0.3393149971961975
CNCC(=O)O,0.3061877489089966
CNCC(c1ccc(c(c1)O)O)O,0.4555326402187347
CNCCCC(=O)O,0.22330744564533234
CNC=O,0.5044726133346558
CNC1=C(c2cccc(c2)C(F)(F)F)C(=O)C(O1)c1ccccc1,0.3825557827949524
CNCCO,0.3745341300964356
CNC1CCc2c(-c3c1cc(=O)c(cc3)OC)c(OC)c(c(c2)OC)OC,0.4261658787727356
CNCCCN1c2ccccc2CCc2c1cccc2,0.6356638073921204
CNCCN(c1ccccn1)Cc1ccc(cc1)OC,0.5859383344650269
CNCCS(=O)(=O)O,0.34478944540023804
CNC[C@@H](c1cccc(c1)O)O.Cl,0.4865238070487976
CNC[C@@H](c1ccc(c(c1)O)O)O,0.4977473318576813
CNC[C@H](c1ccc(c(c1)O)O)O.Cl,0.5026649832725525
CNN=NC,0.4798779487609863
CNNCc1ccc(cc1)C(=O)NC(C)C,0.4506379067897797
CNC[C@H](c1cccc(c1)O)O,0.4891920983791351
CNNC,0.4628926217556
CNCc1ccc(o1)CSCCN=C(NS(=O)(=O)C)NC[C@@H](c1ccc(cc1)O)O,0.13749811053276062
CNNCc1ccc(cc1)C(=O)NC(C)C.Cl,0.42327880859375
CNP(=O)(N(C)C)N(C)C,0.5194835066795349
CNS(=O)(=O)c1ccc(cc1)N,0.5235627293586731
CNP(=S)(N1CC1)N1CC1,0.434893786907196
CNCc1ccc(o1)CSCCN/C(=N/S(=O)(=O)C)/NC[C@@H](c1ccc(cc1)O)O,0.3393239974975586
CNP1(=NP(=NP(=N1)(NC)NC)(NC)NC)NC,0.3997172713279724
CN[C@@H]([C@H](c1ccccc1)O)C,0.5110839605331421
CN[C@H](Cc1ccccc1)C,0.4901115298271179
CNS(=O)(=O)c1ccc(cc1)NC(=O)C,0.38865402340888977
CNc1c(C)cc2c(c1N)cccn2,0.7841240167617798
CNc1ccc(cc1)/N=N/c1ccc(cc1)N(C(=O)C)C,0.6136633157730103
CNc1ccc(cc1)/N=N/c1ccccc1,0.71737140417099
CN[C@H]1CCc2c(-c3c1cc(=O)c(cc3)OC)c(OC)c(c(c2)OC)OC,0.3490578532218933
CNc1ccc(cc1)N=Nc1ccc(cc1)NC,0.658816397190094
CNc1ccc(cc1)C(=C1C=CC(=[N+](C)C)C=C1)c1ccc(cc1)N(C)C,0.5789507031440735
CNc1ccc(cc1)N=Nc1ccc(cc1)N(C(=O)C)C,0.5929848551750183
CNc1ccc(cc1)C(=C1C=CC(=NC)C=C1)c1ccc(cc1)N(C)C,0.7262249588966371
CN[C@@H](C(=O)N([C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)[C@H](c1ccc(cc1)O)C(=O)N)CC(=O)O,0.20499257743358607
CNc1ccc(cc1)N=Nc1ccc2c(c1)scn2,0.8738729357719421
CNc1ccc(cc1)O,0.5485021471977234
CNc1ccc(cc1)N=Nc1ccccc1,0.71737140417099
CNc1ccc(cc1)[N+](=O)[O-],0.6437719464302063
CNc1ccc2c(c1C)nc(c(n2)C)C,0.6200723648071289
CNc1ccc2c(c1)c1cc(O)ccc1cc2,0.6585155129432678
CNc1ccc2c(c1C)nc(cn2)C,0.6326245069503784
CNc1ccc(cc1)Nc1c2ccccc2nc2c1cccc2,0.7125860452651978
CNc1ccc2c(c1N)cccn2,0.7067998647689819
CNc1ccc2c(c1N)nc(cn2)C,0.6482546925544739
CNc1ccc2c(c1C)ncc(n2)C,0.6539472937583923
CNc1ccccc1N,0.6211715936660767
CNc1ccc2c(c1C)nc(cn2)c1ccccc1,0.6855467557907104
CNc1ccccc1,0.5506170988082886
CNc1snc2c1cccc2,0.7621966004371643
CNc1nc(OCC(F)(F)F)nc(n1)N,0.30740052461624146
CNc1ncnc(c1)Oc1ccc(cc1)N,0.4742206633090973
CNc1nc(C)c(c(n1)O)C,0.26693445444107056
CNc1nc2c(n1C)ccc1c2cccn1,0.6899936199188232
CNc1nc(nc(n1)O)NC(=O)NS(=O)(=O)c1ccccc1C(=O)OC,0.2383077144622803
CN[C@H]1C[C@H](O[C@H]([C@@H]1O)C)O[C@H]1C[C@](O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)c(OC)ccc2)C(=O)C,0.5445029139518738
CO/C(=C\C(=O)O)/C(=O)C(=C)C,0.2945893406867981
CO/C=C(\c1ccccc1Oc1ncnc(c1)Oc1ccccc1C#N)/C(=O)OC,0.27582743763923645
CO/N=C(\c1ccccc1COc1cc(O)ccc1C)/C(=O)O,0.38713860511779785
CO/N=C(\c1ccccc1COc1ccc(cc1C)O)/C(=O)O,0.3553678095340729
CO/N=C(/c1csc(n1)N)\C(=O)NC1C(=O)N2C1SCC(=C2C(=O)O)CSC(=O)c1ccco1,0.32229334115982056
CO/N=C(/c1csc(n1)N)\C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)CSC(=O)c1ccco1.[Na+],0.3407298922538757
CO/N=C(\c1ccccc1COc1ccccc1C)/C(=O)O,0.3239963948726654
CO/N=C(/c1csc(n1)N)\C(=O)NC1C(=O)N2C1SCC(=C2C(=O)OCOC(=O)C(C)(C)C)/C=C/c1scnc1C,0.28640398383140564
CO/N=C(/c1csc(n1)N)\C(=O)N[C@@H]1C(=O)N2[C@H]1SCC(=C2C(=O)OCOC(=O)C(C)(C)C)/C=C\c1scnc1C,0.286674439907074
CO/N=C(\c1ccccc1COc1ccccc1C)/C(=O)OC,0.3951612114906311
CO/N=C(\c1ccccc1COc1ccccc1CO)/C(=O)O,0.4656334519386292
CO/N=C(/c1nsc(n1)N)\C(=O)NC1C(=O)N2C1SCC(=C2C(=O)O)C[n+]1ccn2c1cccn2,0.3763881027698517
CO/N=C(\c1ccccc1Oc1ncnc(c1F)O)/C1=NOCCO1,0.4582369327545166
COC(=C1C(=NC(=C(C1c1ccccc1[N+](=O)[O-])C(=O)OC)C)C)O,0.4433804452419281
COC(=O)/C(=C(/c1ccc(cc1Cl)Cl)\OP(=O)(OC)OC)/Br,0.35178083181381226
COC(=C1C(=NC(=C([C@H]1c1cccc(c1Cl)Cl)C(=O)OC(C)C)COC(=O)N)C)O,0.351459801197052
COC(=C1C(=NC(=C([C@@H]1c1ccccc1[N+](=O)[O-])C(=O)OCC(=O)C)C)C)O,0.3857231140136719
COC(=O)/C(=C(/c1cc(Cl)ccc1Cl)\OP(=O)(OC)OC)/Cl,0.33997735381126404
COC(=C1C(=NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OC/C=C/c1ccccc1)C)C)O,0.4322841763496399
COC(=O)/C(=C/c1ccco1)/[N+](=O)[O-],0.5020673871040344
COC(=O)/C(=C/c1ccc(o1)[N+](=O)[O-])/[N+](=O)[O-],0.619143009185791
COC(=O)/C(=C/c1ccc(o1)Br)/[N+](=O)[O-],0.4445017278194428
COC(=O)/C(=C/c1ccc(o1)Br)/C#N,0.346656858921051
COC(=O)/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C1=C(C)CCCC1(C)C)\C)\C)/C)/C,0.3324283957481384
COC(=O)/C(=C\c1ccc(o1)[N+](=O)[O-])/[N+](=O)[O-],0.5496965646743774
COC(=O)C(=C)C#N,0.2412804067134857
COC(=O)C(=C)Cl,0.32271629571914673
COC(=O)C(=C)C,0.2809194922447205
COC(=O)C(CSCCCl)N,0.5554997324943542
COC(=O)C(Cl)C,0.4330691397190094
COC(=O)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(\C=C\C(=O)OC)/C)\C)/C)/C,0.42358455061912537
COC(=O)C(Cl)Cl,0.4916941523551941
COC(=O)C(Cc1ccc(cc1)Cl)N,0.23410096764564514
COC(=O)C(N(c1c(C)cccc1C(=O)O)C(=O)CC(=O)O)C,0.3626641929149628
CO/N=C(\c1ccccc1Oc1ncnc(c1F)Oc1ccccc1Cl)/C1=NOCCO1,0.34434011578559875
COC(=O)C(NC(=O)C)CSCC(Br)C,0.462547779083252
COC(=O)C(Oc1ccc(cc1)Oc1ccc(cc1Cl)Cl)C,0.3995860517024994
COC(=O)C(N(c1c(C)cccc1C)C(=O)CC(=O)O)C,0.3227117955684662
COC(=O)C(NC(=O)C)CSCC(c1ccccc1)Br,0.460392564535141
COC(=O)C(N(c1c(C)cccc1C)C(=O)Cc1ccccc1)C,0.3532271981239319
COC(=O)C,0.26715779304504395
COC(=O)C(Oc1ccc(cc1)c1ccc(cc1)Cl)(C)C,0.28047746419906616
COC(=O)C(Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F)C,0.11369075626134872
COC(=O)C1(OC1(CC)C(O)C)C(=O)N,0.4046460688114166
COC(=O)C12OC2(C)C(OC1=O)C,0.4367013871669769
COC(=O)C12CC2(C=O)C(=CC2C1CC(C2)(C)C)C=O,0.5296143293380737
COC(=O)C1=C(C)C(OC1=O)C(C)C,0.3457843363285065
COC(=O)C1=C(C)C(OC1=O)(C)O,0.3941657245159149
COC(=O)C1=C(C(OC1=O)C)c1ccccc1,0.3966047763824463
COC(=O)C1=C(CC)C(OC1=O)C,0.3493903875350952
COC(=O)C1=C(C)NC(=C([C@@H]1c1ccccc1[N+](=O)[O-])C(=O)OCC(=O)C)C,0.3851030468940735
COC(=O)C1=C(C)NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OC/C=C/c1ccccc1)C,0.5116132497787476
COC(=O)C1=C(C)NC(=C([C@@H]1c1ccccc1[N+](=O)[O-])C(=O)OC)C,0.4884042739868164
COC(=O)C1=C(C)NC(=C([C@H]1c1cccc(c1Cl)Cl)C(=O)OC(C)C)COC(=O)N,0.44120901823043823
COC(=O)C1=CCCN(C1)N=O,0.5561650395393372
COC(=O)C1=CCCN(C1)C,0.4197698533535004
COC(=O)C1=C(CC)[C@@H](OC1=O)C,0.3478315770626068
COC(=O)C1O/C(=N\O)/C(=C1Cl)Cl,0.5251997709274292
COC(=O)C1CSC2N1C(=O)C(=C2Cl)Cl,0.3970851302146912
COC(=O)C1OC1c1ccccc1,0.3749323487281799
CN1CC(CC2C1Cc1c[nH]c3c1c2ccc3)C(=O)NC1(OC2(N(C1=O)C(Cc1ccccc1)C(=O)N1C2CCC1)O)C(C)C,0.4689293503761292
COC(=O)C=C,0.26830199360847473
COC(=O)CC(=O)C,0.29378077387809753
COC(=O)CC(=O)OC,0.3362680971622467
COC(=O)CC(c1ccc(cc1)Cl)NC(=O)[C@H](C(C)C)NC(=O)OC(C)C,0.30677491426467896
COC(=O)C1c2cc3c(c(c2C(CC1(O)CC)OC1OC(C)C(C(C1)N(C)C)O)O)C(=O)c1c(C3=O)cccc1O,0.5127075910568237
COC(=O)C1c2cc3c(c(c2C(CC1(O)CC)OC1OC(C)C(C(C1)N(C)C)O)O)C(=O)c1c(C3=O)c(O)ccc1O,0.5127020478248596
COC(=O)CCCC(=O)OC,0.3472600877285004
COC(=O)CCC(=O)OC,0.4428035318851471
COC(=O)C12Oc3ccc(c(c3C(=C2C(=O)CC(C1O)C)O)O)c1ccc2c(c1O)C(=C1C(O2)(C(=O)OC)C(O)C(CC1=O)C)O,0.4657081961631775
COC(=O)CCCCC(=O)OC,0.2704598307609558
COC(=O)CCl,0.6016071438789368
COC(=O)COc1ccc(cc1Cl)Cl,0.482041746377945
COC(=O)N,0.3903973698616028
COC(=O)NC(=S)Nc1ccccc1NC(=S)NC(=O)OC,0.40955209732055664
COC(=O)N/N=C/c1c[n+]([O-])c2c([n+]1[O-])cccc2,0.7952735424041748
COC(=O)Nc1[nH]c2c(n1)cc(cc2)C(=O)c1ccc(cc1)F,0.4377926886081696
COC(=O)CC1OC(=O)c2c(C1)cc1c(c2O)c(O)c(c(c1)OC)c1c(OC)cc2c(c1O)c(O)c1c(c2)CC(OC1=O)CC(=O)OC,0.3978692889213562
COC(=O)Nc1[nH]c2c(n1)cc(cc2)C(=O)c1ccccc1,0.4248607754707336
COC(=O)Nc1cccc(c1)OC(=O)Nc1cccc(c1)C,0.5162863731384277
COC(=O)Nc1[nH]c2c(n1)cc(cc2)Sc1ccccc1,0.5103979110717773
COC(=O)Nc1[nH]c2c(n1)cc(cc2)OS(=O)(=O)c1ccc(cc1)F,0.3379582464694977
COC(=O)Nc1nc2c([nH]1)cc(cc2)O,0.4356397986412048
COC(=O)Nc1nc2c([nH]1)ccc(c2)O,0.4019696116447449
COC(=O)Nc1nc2c([nH]1)cccc2,0.4620879292488098
COC(=O)[C@@H](c1ccccc1)[C@H]1CCCCN1,0.33266475796699524
COC(=O)[C@@H](NC(=O)C)CSC[C@H](Br)C,0.4117089807987213
COC(=O)C[C@H]1[C@@]2(C)[C@H](OC3C2=C(C)[C@@H](C3)c2cocc2)[C@H]2C3[C@]1(C)C(=O)C=C[C@@]3(C)C(=O)O2,0.5476523637771606
COC(=O)[C@@H]1c2cc3c(c(c2[C@H](C[C@@]1(O)CC)O[C@@H]1C[C@H](N)[C@H]([C@@H](O1)C)O)O)C(=O)c1c(C3=O)c(O)ccc1O,0.5176178812980652
COC(=O)[C@@H]1c2cc3c(c(c2[C@@H](C[C@]1(O)CC)O[C@@H]1O[C@@H](C)[C@@H]([C@H](C1)N(C)C)O)O)C(=O)c1c(C3=O)cccc1O,0.4119887351989746
COC(=O)[C@@H]1c2cc3c(c(c2[C@H](C[C@]1(O)CC)O[C@@H]1O[C@@H](C)[C@@H]([C@H](C1)N(C)C)O)O)C(=O)c1c(C3=O)c(O)ccc1O,0.4972683489322662
COC(=O)[C@@]1(O[C@@]1(C)[C@@H](C(C)C)O)C(=O)N,0.4836333394050598
COC(=O)[C@@]12O[C@@]2(C)[C@@H](OC1=O)C(C)C,0.3755509555339813
COC(=O)C1c2cc3c(c(c2C(CC1(O)CC)OC1OC(C)C(C(C1)N(C)C)OC1CC(O)C(C(O1)C)O)O)C(=O)c1c(C3=O)c(O)ccc1O,0.5011211633682251
COC(=O)[C@@]12O[C@@]2(C)[C@@](NC1=O)(C)O,0.4630319178104401
COC(=O)[C@@]12O[C@@]2(C)[C@@](OC1=O)(C)O,0.4479870796203613
COC(=O)[C@@]12O[C@@]2(C)[C@](NC1=O)(O)C(C)C,0.4433096349239349
COC(=O)[C@@]12O[C@@]2(CC)[C@@H](OC1=O)C,0.38767844438552856
COC(=O)[C@@]12O[C@@]2(CC)[C@@](NC1=O)(C)O,0.4225713610649109
COC(=O)[C@H](N(c1c(C)cccc1C)C(=O)CC(=O)O)C,0.3491515517234802
COC(=O)[C@H](N(c1c(C)cccc1C)C(=O)Cc1ccccc1)C,0.2269422262907028
COC(=O)[C@]12C[C@]2(C=O)C(=C[C@H]2[C@H]1CC(C2)(C)C)C=O,0.5296143293380737
COC(=O)c1c(Cl)c(Cl)c(c(c1Cl)Cl)C(=O)O,0.2071395218372345
COC(=O)[C@H]1c2cc3C(=O)c4cccc(c4C(=O)c3c(c2[C@@H](C[C@@]1(O)CC)O)O)O,0.4484893679618835
COC(=O)c1c(Cl)c(Cl)c(c(c1Cl)Cl)C(=O)OC,0.3534168601036072
COC(=O)c1c2C=CC(Oc2c2c(c1O)cccc2)(C)C,0.554279088973999
COC(=O)c1cc(ccc1N)Cc1ccc(c(c1)C(=O)OC)N,0.4950016140937805
COC(=O)c1cc(OC)c2c(c1c1c(cc(c3c1OCO3)OC)C(=O)OC)OCO2,0.4920242726802826
COC(=O)c1cc(ccc1N)c1ccc(c(c1)C(=O)OC)N,0.4757282733917236
COC(=O)c1cc(ccc1[N+](=O)[O-])Oc1ccc(cc1Cl)Cl,0.2966454327106476
COC(=O)c1cc2OCOc2c2c1c(cc1c2cccc1OC)[N+](=O)[O-],0.7400152683258057
COC(=O)[C@]12Oc3ccc(c(c3C(=O)C2=C(C[C@H]([C@H]1O)C)O)O)c1ccc2c(c1O)C(=O)C1=C(O)C[C@H]([C@H]([C@]1(O2)C(=O)OC)O)C,0.4266507029533386
COC(=O)c1cc2OCOc2c2c1ccc1c2cccc1OC,0.7337673902511597
COC(=O)c1cc2c([nH]1)c1ncccc1cc2,0.657549262046814
COC(=O)c1ccc(cc1)/C=N/n1nnc2-c(c1O)nc1c2cccc1,0.575546383857727
COC(=O)c1ccc(cc1)C,0.43396157026290894
COC(=O)c1ccc(cc1)C(=O)OC,0.5785082578659058
COC(=O)c1ccc(c2c1nc1ccccc1c2NCCCN(C)C)[N+](=O)[O-],0.8347457051277161
COC(=O)c1ccc(cc1)C=O,0.5321225523948669
COC(=O)c1ccc(cc1)CN(N=O)C,0.656455397605896
COC(=O)c1ccc(nc1S(=O)(=O)N)C(F)(F)F,0.4002860486507416
COC(=O)c1ccc(cc1)O,0.4216503202915192
COC(=O)c1ccc(cc1)N=Nc1ccc(cc1)N(OC(=O)C)C,0.6638320684432983
COC(=O)c1ccccc1,0.4413040578365326
COC(=O)c1cccc(c1S(=O)(=O)NC(=O)Nc1nc(OCC(F)(F)F)nc(n1)N(C)C)C,0.276540607213974
COC(=O)c1ccccc1C(=O)OC,0.41911548376083374
COC(=O)c1ccccc1CS(=O)(=O)N,0.4355828762054443
COC(=O)c1ccccc1NC,0.4699614644050598
COC(=O)c1ccccc1N,0.4912199079990387
COC(=O)c1cccc2c1c(=O)c1c(o2)c2c(cc1OC)O[C@H]1[C@H]2C=CO1,0.6094923615455627
COC(=O)c1ccccc1O,0.4250254631042481
COC(=O)c1ccccc1S(=O)(=O)N,0.4592326283454895
COC(=O)c1ccco1,0.5164686441421509
COC(=O)c1ccccc1S(=O)(=O)NC(=O)N,0.5065769553184509
COC(=O)c1ccccc1S(=O)(=O)NC(=O)Nc1nc(N)nc(n1)O,0.2787591516971588
COC(=O)c1csc(c1S(=O)(=O)N)C,0.4890766143798828
COC(=O)c1csc(c1S(=O)(=O)NC(=O)n1nc([nH]c1=O)OC)C,0.5559300184249878
COC(=O)c1csc(c1S(=O)(=O)NC(=O)n1nc(n(c1=O)C)OC)C,0.5203651189804077
COC(=O)c1oc(c(c1Cl)Cl)N,0.4685637950897217
COC(=O)c1oc(c(c1Cl)Cl)[N+](=O)[O-],0.34544822573661804
COC(=O)c1nc(c2ccc3c(n2)C(=O)C=CC3=O)c2c(c1)c1ccccc1[nH]2,0.7409368753433228
COC(=O)c1oc(c(c1c1ccccc1)c1ccccc1)N(C(=O)C)O,0.4695397019386292
COC(=O)c1oc(c(c1c1ccccc1)c1ccccc1)N(C(=O)C)OC(=O)C,0.3576909899711609
COC(=O)c1occ(c1c1ccccc1)c1ccccc1,0.41924500465393066
COC(=O)c1oc(c(c1c1ccccc1)c1ccccc1)[N+](=O)[O-],0.4651034474372864
COC(=O)c1oc(c(c1c1ccccc1)c1ccccc1)NOC(=O)C,0.5361689329147339
COC(=O)c1sccc1S(=O)(=O)N,0.5096502304077148
COC(C)(C)C,0.31660670042037964
COC(C(Cl)Cl)(F)F,0.5189576745033264
COC(CC(=O)C)(C)C,0.26287394762039185
COC(C1=C(N2CC2)C(=O)C(=C(C1=O)N1CC1)C)COC(=O)N,0.5232703685760498
COC(CCOC(=O)C)C,0.2948561012744904
COC1(CCCC1)OC1CCC2C1(C)CCC1C2CCC2C1(C)CC1SC1C2,0.31552478671073914
COC1(CCCC1)O[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@@H]2[C@]1(C)C[C@H]1S[C@H]1C2,0.3896348476409912
COC(=O)C1c2cc3c(c(c2C(CC1(O)CC)OC1OC(C)C(C(C1)N(C)C)OC1CC(O)C(C(O1)C)OC1CCC(=O)C(O1)C)O)C(=O)c1c(C3=O)cccc1O,0.5345558524131775
COC12OOC2(C)Oc2c1cccc2,0.4475271105766296
COC1=C(CC)C(=O)c2c(C1=O)c(O)c(c(c2O)OC)OC,0.3930022120475769
COC1(NC(=O)CSCC(C(=O)O)N)C(=O)N2C1SCC(=C2C(=O)O)CSc1nnnn1C,0.2303013503551483
COC1=C(OC)C(=O)C(=CC1=O)C,0.5055309534072876
COC1=CC(=O)C(=O)C(=C1)C(C)(C)C,0.4948360323905945
COC(=O)C1c2cc3c(c(c2C(CC1(O)CC)OC1OC(C)C(C(C1)N(C)C)OC1CC(O)C(C(O1)C)OC1CC(O)C(C(O1)C)O)O)C(=O)c1c(C3=O)c(O)ccc1O,0.4953059554100037
COC1=CC(=O)C=CC1=O,0.5634888410568237
COC1=C(N)C(=O)c2c(C1=O)ccc(n2)c1nc(C(=O)O)c(c(c1N)c1ccc(c(c1O)OC)OC)C,0.4808017313480377
COC1=CC(=O)C=C/C/1=N\c1c2ccccc2nc2c1cccc2,0.5916448831558228
COC1=C(OC)C(=O)C(=C(C1=O)C/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)\C)\C)\C)\C)\C)\C)\C)C,0.4452497363090515
COC(=O)[C@@H]1c2cc3c(c(c2[C@H](C[C@]1(O)CC)O[C@@H]1O[C@@H](C)[C@H]([C@H](C1)N(C)C)O[C@H]1C[C@H](O)[C@@H]([C@@H](O1)C)O[C@@H]1O[C@@H](C)C(=CC1=N)O)O)C(=O)c1c(C3=O)c(O)ccc1O,0.5933120250701904
COC1=CC(=O)C[C@H]([C@@]21Oc1c(C2=O)c(OC)cc(c1Cl)OC)C,0.3950514197349548
COC1=CC(=O)c2c(C1=O)[nH]cc1-c2nc2c1cncc2,0.7334356904029846
COC1=CC(=O)c2c(C1=O)[nH]cc1-c2nc2c1cccc2,0.7314776182174683
COC1=CC(=O)c2c(C1=O)[nH]cc1-c2nc2c1CCCC2,0.6265889406204224
COC1=CC(=O)c2c(C1=O)c1-c(c([nH]2)C)c2c(n1)cccc2,0.7159692645072937
COC1=CC(=O)c2c(C1=O)nc(c1c2[nH]c2c1CCCC2)C,0.5336214303970337
COC1=CC(=O)c2c(C1=O)nc(c1c2[nH]c2c1cncc2)C,0.6653294563293457
COC1=CC(=O)c2c(C1=O)nc(c1c2[nH]c2c1cccc2)C,0.5332235097885132
COC1=CC(=O)c2c(C1=O)c1[nH]c3c(c1c(n2)C)cccc3,0.6386914253234863
COC1=CC=CC=CC1,0.4779202342033386
COC1=CC(=O)c2c(C1=O)nc(c1c2nc2-c1c[nH]cc2)C,0.591171383857727
COC1=CC(=O)c2c(C1=O)ncc1c2[nH]c2c1cncc2,0.6311705112457275
COC1=CC(=O)c2c(C1=O)ncc1c2[nH]c2c1CCCC2,0.5458872318267822
COC1CCC2(CC1)NC(=O)C(C2=O)(O)c1cc(C)ccc1C,0.36142629384994507
COC1CCC2(CC1)NC(=O)C(C2O)c1cc(C)ccc1C,0.4336403906345368
COC1OC(=O)C(=C1C(Cl)Cl)Cl,0.5006374120712279
COC1OC1(C)C,0.4049602448940277
COC(=O)[C@@H]1c2cc3c(c(c2[C@H](C[C@]1(O)CC)O[C@@H]1O[C@@H](C)[C@H]([C@H](C1)N(C)C)O[C@H]1C[C@H](O)[C@@H]([C@@H](O1)C)O[C@@H]1O[C@@H](C)C(=O)C=C1N)O)C(=O)c1c(C3=O)c(O)ccc1O,0.4938181042671204
COC1=C[C@@H]2[C@@H]3Cc4c([C@@]2(CC1=O)CCN3C)c(O)c(cc4)OC,0.4938147962093353
COC=C,0.4735155999660492
COC=O,0.5454882383346558
COCC(=O)N(c1c(C)cccc1C(=O)O)C(C(=O)O)C,0.32933542132377625
COCC(=O)N(c1c(C)cccc1C)C(C(=O)OC)C,0.37890395522117615
COCC(=O)N(c1c(C)cccc1C)C(C(=O)O)C,0.3783625066280365
COC1OCC(C(C1OS(=O)(=O)O)OS(=O)(=O)O)COCC1OCC(C(C1OS(=O)(=O)O)OS(=O)(=O)O)OC,0.4017509818077088
COCC(=O)Nc1c(C)cccc1C,0.4247303009033203
COCC(=O)O,0.25362545251846313
COCC12OOC2(C)c2c(O1)cccc2,0.493551254272461
COCC1OC(=O)N(C1)c1ccc2c(c1)sc(n2)C(CCC#N)O,0.4257910251617432
COCC=O,0.4993758797645569
COC1C(N)CC(OC1C)OC1CC(O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)c(OC)ccc2)C(=O)CO,0.5738996267318726
COCC1CN(C)C2C(=C1)c1cccc3c1c(C2)cn3C,0.6484023332595825
COCCCN,0.2296385318040848
COCC(COC(=O)c1ccccc1)(COC(=O)c1ccccc1)COC(=O)c1ccccc1,0.26262614130973816
COCCN(c1c(C)cccc1C)C(=O)C(=O)O,0.3680935502052307
COCCN(c1c(C)cccc1C(=O)O)C(=O)CO,0.3991315364837647
COCCO,0.19787952303886414
COCCN(c1c(C)cccc1C)C(=O)CCl,0.5449773669242859
COCCOC(=O)C,0.4320977330207825
COCCOC(=O)C(C(=O)c1ccccc1C(F)(F)F)(c1ccc(cc1)C(C)(C)C)C#N,0.2926315367221832
COCCOC,0.286727637052536
COCCOC(=O)C=C,0.5402339696884155
COCCOC(=O)c1ccccc1C(=O)OCCOC,0.4633111953735352
COCCOCCOC,0.3804604411125183
COCCN(c1cc(NC(=O)C)c(cc1OC)n1nc2c(n1)c(Br)cc(c2Cl)N)CCOC,0.5864068865776062
COCCOCCO,0.36956825852394093
COCCOCCOCCOC,0.3727040886878967
COCCOC1(COCCOC(=O)CCCCCCC/C=C/CCCCCCCC)OCC(C1OCCOC)OCCOC,0.30884653329849243
COCCOc1cccc2c1c(=O)c(nn2c1ccc(cc1)Cl)C(=O)O,0.4886386394500733
COCCc1ccc(cc1)OCC(CNC(C)C)O,0.3638216853141785
COCCl,0.5596416592597961
COCN(c1c(CC)cccc1CC)C(=O)CO,0.4244769215583801
COCN(c1c(CC)cccc1CC)C(=O)CCl,0.4664890170097351
COCOC,0.3413612246513367
COC[C@H]1CO1,0.37230277061462397
COCc1c(O)cc2c(c1O)C(=O)c1c(C2=O)cccc1,0.6029998064041138
CON(C(=O)Nc1ccc(c(c1)Cl)Cl)C,0.5593617558479309
COC[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C,0.6484023332595825
CON,0.4178283214569092
CON(C(=O)Nc1ccc(cc1)Br)C,0.5743610858917236
CONC(=O)Nc1ccc(cc1)Br,0.4176715910434723
COP(=O)(N1CCOCC1)OC,0.6179320812225342
CON=C(c1ccccc1COc1cc(C)ccc1C)C(=O)NC,0.450657844543457
COP(=O)(C(C(Cl)(Cl)Cl)O)OC,0.4683603644371033
COP(=O)(O)O,0.4040753245353699
COP(=O)(NC(=O)C)SC,0.3933746516704559
COP(=O)(O/C(=C\C(=O)O[C@H](c1ccccc1)C)/C)OC,0.4468954503536224
COP(=O)(OC)O,0.3579050600528717
COP(=O)(OC)C,0.40671506524086
COP(=O)(Oc1c(Cl)cc(cc1Cl)C)OC,0.4261959493160248
COP(=O)(OC)OC,0.3631622195243835
COP(=O)(OC=C(Cl)Cl)OC,0.4696689546108246
COP(=O)(SC)OC,0.3010171353816986
COP(=O)(SC)SC,0.44014638662338257
COP(=O)(Oc1ccc(c(c1)C)[N+](=O)[O-])OC,0.53197181224823
COP(=S)(OC)Cl,0.2889522910118103
COP(=O)([C@@H](C(Cl)(Cl)Cl)O)OC,0.463385671377182
COP(=O)OC,0.4504314363002777
COP(=S)(OC)OC,0.3818176090717316
COP(=S)(Oc1ccc(c(c1)C)N)OC,0.5263664126396179
COP(=S)(Oc1c(Cl)cc(cc1Cl)C)OC,0.2627103626728058
COP(=S)(Oc1ccc(cc1)[N+](=O)[O-])OC,0.5471464395523071
COP(=S)(Oc1ccccc1C(=O)OC(C)C)NC(C)C,0.3194747567176819
COCCOCO/N=C\1/C(C)CC(C)(O)C(OC2OC(C)CC(C2O)N(C)C)C(C)C(OC2OC(C)C(C(C2)(C)OC)O)C(C(=O)OC(C(C(C1C)O)(C)O)CC)C,0.4322105348110199
COP(=S)(Oc1ccc(c(c1)C)[N+](=O)[O-])OC,0.5751525163650513
COCCOCO/N=C\1/[C@H](C)C[C@@](C)(O)[C@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@H](C)[C@H](O[C@@H]2O[C@@H](C)[C@H]([C@](C2)(C)OC)O)[C@@H](C(=O)O[C@@H]([C@@]([C@@H]([C@@H]1C)O)(C)O)CC)C,0.3668390810489655
COP(=S)(SCC(=O)N(C=O)C)OC,0.44090920686721796
COP(=S)(SC(C(=O)O)CC(=O)O)OC,0.27582287788391113
COP(=S)(Oc1nc(Cl)c(cc1Cl)Cl)OC,0.2254033386707306
COS(=O)(=O)C,0.38675302267074585
COP(=S)(SCn1nnc2c(c1=O)cccc2)OC,0.4971502423286438
COP(=S)(SCN1C(=O)c2c(C1=O)cccc2)OC,0.3964039385318756
COS(=O)(=O)C(F)(F)F,0.5159640908241272
COP1(=S)OCc2c(O1)cccc2,0.3511817753314972
COS(=O)(=O)OC,0.43353408575057983
COS(=O)(=O)F,0.4048480987548828
CO[C@@H]1OC(=O)C(=C1C(Cl)Cl)Cl,0.4029098451137543
CO[C@@H](C1=C(N2CC2)C(=O)C(=C(C1=O)N1CC1)C)COC(=O)N,0.5397434830665588
CO[C@@H]1OC1(C)C,0.3848523199558258
CO[C@H]([C@@](C(O)(C)C)(C(=O)OCC1=CCN2[C@H]1[C@H](CC2)OC(=O)/C(=C\C)/C)O)C,0.5103440284729004
CO[C@@]12[C@H]3N[C@H]3CN2C2=C([C@@H]1COC(=O)N)C(=O)C(=C(C2=O)C)N,0.6169973611831665
CO[C@@H]1C[C@](C)(O)Cc2c1c(O)c1c(c2)C(=O)c2c(C1=O)c(O)cc1c2O[C@@H]2O[C@@]1(C)[C@@H]([C@H]([C@H]2O)N(C)C)O,0.5446141362190247
CO[C@H]1[C@@H](N)C[C@@H](O[C@H]1C)O[C@H]1C[C@@](O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)c(OC)ccc2)C(=O)CO,0.5834383368492126
CO[P@](=O)(NC(=O)C)SC,0.3749065399169922
COc1c(C(=O)O)c(O)nc2c1cccc2,0.2425217181444168
COc1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl,0.4228760302066803
COc1c(C/C=C(/CCC(=O)O)\C)c(O)c2c(c1C)COC2=O,0.29669806361198425
COc1c(Cl)c(Cl)c(c(c1Cl)Cl)[N+](=O)[O-],0.4783187508583069
COc1c(Cl)cc(c(c1C(=O)O)Cl)O,0.3234919309616089
COc1c(Cl)ccc(c1C(=O)O)Cl,0.31589463353157043
COc1c(N)cc(c(c1C)N)C,0.6621736288070679
COc1c(O)c2OC3C(c2c2c1c1CCC(=O)c1c(=O)o2)C=CO3,0.5073162317276001
COc1c(O)cc2c(c1O)c(=O)cc(o2)c1ccc(cc1)O,0.4914456903934479
COc1c(O)cc2c3c1-c1ccccc1CC3N(CC2)C,0.5097724795341492
COc1c(O)cc2c3c1-c1ccccc1C[C@H]3N(CC2)C,0.421743243932724
COc1c(OC)c2occc2c2c1ccc(=O)o2,0.574739933013916
COc1c(OC)cc(c(c1OC)C(=O)c1c(OC)ccc(c1C)Br)C,0.4766422212123871
COc1c(OC)cc(c(c1OC)C(=O)c1c(OC)ncc(c1C)Cl)C,0.2653690278530121
COc1c(OC)cc2c(-c3ccc(c(=O)cc3[C@@H](CC2)NC(=O)C)OC)c1OC,0.33594128489494324
COc1c(OC)cc2c(-c3ccc(c(=O)cc3[C@H](CC2)NC(=O)C)OC)c1OC,0.4405519962310791
COc1c(OC)cc2c3c1-c1cc4OCOc4cc1C[C@@H]3N(CC2)C,0.5548755526542664
COc1c(OC)cc2c3c1-c1ccccc1C(=O)c3ncc2,0.5932667255401611
COc1c(OC)cc2c3c1c1cc4OCOc4cc1cc3N(CC2)C,0.6550897359848022
COc1c(OC)ccc2c1C(=O)O[C@@H]2[C@@H]1N(C)CCc2c1cc1OCOc1c2,0.5282881259918213
COc1c(OC)ccc2c1c(=O)n(C)c1c2ccc2c1cc1OCOc1c2,0.6951976418495178
COc1c(OC)ccc2c1c[n+]1CCc3c(-c1c2)cc1c(c3)OCO1,0.6506684422492981
COc1c(OC)ccc2c1cc1N(C)C(=O)C(=O)c3c1c2c1OCOc1c3,0.663329541683197
COc1c(OC)ccc2c1cc1N(C)CCc3c1c2c1OCOc1c3,0.5871326327323914
COc1c(OCC2OC2(C)C)ccc2c1nc1occc1c2OC,0.5895993113517761
COc1c([N+](=O)[O-])c(C)c(cc1C(C)(C)C)[N+](=O)[O-],0.4071754515171051
COc1c(c(C)cc2c1c(O)ccc2O)c1cc(O)c2c(c1O)cc(cc2OC)C,0.5604966878890991
COc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],0.6887138485908508
COc1c2C(=O)c3ccccc3C(=O)c2cc(c1C=O)O,0.5668582320213318
COc1c2C(=O)c3ccccc3C(=O)c2cc(c1CO)O,0.5069545507431029
COC(C1Cc2cc3cc(OC4CC(OC5CC(O)C(C(O5)C)OC)C(C(O4)C)OC(=O)C)c(c(c3c(c2C(=O)C1OC1CC(OC2CC(OC3OC(C)C(C(C3)(C)O)OC(=O)C)C(C(O2)C)O)C(C(O1)C)O)O)O)C)C(=O)C(C(O)C)O,0.460808277130127
COc1c2N(C)C3C(c2cc(c1OC)Cl)(O)C(C12N3C(=O)C(C)(SS1)N(C2=O)C)O,0.5173641443252563
COc1c2OCOc2cc2c1nc1occc1c2OC,0.5598081350326538
COc1c2N(C)[C@@H]3[C@](c2cc(c1OC)Cl)(O)[C@H]([C@@]12N3C(=O)[C@@](C)(SS1)N(C2=O)C)O,0.5099338889122009
COc1c2c(CC=C(C)C)c3OCOc3c(c2nc2c1cco2)O,0.5363220572471619
COc1c2c(OC3C2C=CO3)cc2c1c(=O)c1c(o2)ccc(c1OC)Cl,0.5019327998161316
COC1CC(OC2C(C)C=CC=C3COCC4C3(O)C(C=C(C4O)C)C(=O)OC3CC(CC=C2C)OC2(C3)C=CC(C(O2)C(CC)C)C)OC(C1OC1CC(OC)C(C(O1)C)O)C,0.4558520317077637
COc1c2c(O[C@H]3[C@H]2C=CO3)cc2c1c(=O)c1c(o2)c(CCC(O)(C)C)ccc1O,0.5502496957778931
COc1c2c(O[C@H]3[C@H]2C=CO3)cc2c1c(=O)c1c(o2)ccc(c1OC)Cl,0.5297476649284363
COc1c2cc(OC)cc(c2c(c2c1cc(C)oc2=O)O)O,0.5309016108512878
COc1c2cc(OC)ccc2nc2c1cco2,0.5940534472465515
CO[C@H]1C[C@H](OC[C@]2(C)C=CC=C3CO[C@H]4[C@]3(O)[C@@H](C=C([C@H]4O)C)C(=O)O[C@H]3C[C@@H](CC=C2C)O[C@]2(C3)C=C[C@@H]([C@H](O2)[C@H](CC)C)C)O[C@H]([C@@H]1O[C@H]1C[C@H](OC)[C@H]([C@@H](O1)C)O)C,0.4760037362575531
COc1c2cc3OCOc3cc2nc2c1cco2,0.6303752064704895
COc1c2ccc(=O)oc2c(c2c1cco2)OC,0.581696093082428
COc1c2ccc(=O)oc2cc2c1cco2,0.5964003801345825
COc1c2cccc(c2nc2c1cco2)O,0.6215721368789673
COc1c(O)c2N(CCc2c2c1[nH]c(c2)C(=O)N1C[C@@H]2[C@]3(C1=CC(=O)c1c3c(C)c[nH]1)C2)C(=O)c1cc2c([nH]1)c(OC)c(c1c2CCN1C(=O)N)O,0.5222747325897217
COc1c2ccc(cc2nc2c1cco2)O,0.4797666072845459
COc1c2ccccc2[n+](c2c1cco2)[O-],0.6239520311355591
COc1c2c(ccc(c2cc(c1c1cc(OC(=O)C)c2c(c1OC(=O)C)cc(cc2OC)C)C)OC(=O)C)OC(=O)C,0.4811243116855621
COc1c2ccccc2nc2c1cco2,0.629393458366394
COc1cc(/C=C/C(=O)CC(=O)/C=C/c2ccc(c(c2)OC)O)ccc1O,0.5051308870315552
COc1cc(/C=C/C(=O)O)ccc1O,0.2869679033756256
COc1c2oc(=O)ccc2cc2c1occ2,0.5772436857223511
COc1cc(=O)[nH]c(=O)[nH]1,0.4022933840751648
COc1cc(/N=N/c2ccccc2)ccc1N,0.6957247257232666
COc1cc(C=C)ccc1O,0.44526925683021545
COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(c(c2)OC)O)ccc1O,0.5051308870315552
COc1cc(C=O)ccc1O,0.5621092915534973
COc1cc(C=O)c(cc1OC)OC,0.4986159801483154
COc1cc(/N=N/c2ccc(cc2)N)c(cc1/N=N/c1c(O)c2cc(N)ccc2cc1S(=O)(=O)O)C.[Na+],0.5953396558761597
COc1cc(C)cc2c1C(=O)C=C(C2=O)c1c(C)cc2c(c1OC)C(=O)C=CC2=O,0.5666991472244263
COc1cc(C=O)ccc1OC,0.5341693758964539
COc1cc(CCC(=O)C)ccc1O,0.4384270310401917
COc1cc(CNC(=O)C(Br)C)ccc1O,0.43596243858337397
COc1cc(CNC(=O)C(Br)C)ccc1OC,0.5229905843734741
COc1cc(CC2NCCc3c2cc(O)c(c3)O)cc(c1OC)OC,0.42385369539260864
COc1cc(CNC(=O)CCCCCCC(C)C)ccc1O,0.19720110297203064
COc1cc(CNC(=O)[C@H](Br)C)ccc1O,0.41679200530052185
COc1cc(CNC(=O)[C@H](Br)C)ccc1OC,0.4595267176628113
COc1cc(Cc2cnc(nc2N)N)cc(c1OC)OC,0.394808828830719
COc1cc(CNCC(COc2ccc3c(c2)ccc(n3)O)O)ccc1OC,0.3284680545330048
COc1cc(C[C@@H]2NCCc3c2cc(O)c(c3)O)cc(c1OC)OC.Cl,0.468339741230011
COc1cc(Cl)c(cc1Cl)OC,0.4738900065422058
COc1cc(N)c(cc1N)OC,0.5992181897163391
CO[C@H]1C[C@H](O[C@H]2[C@@H](C)/C=C/C=C/3\CO[C@H]4[C@]3(O)[C@@H](C=C([C@H]4O)C)C(=O)O[C@H]3C[C@@H](C/C=C/2\C)O[C@]2(C3)C=C[C@@H]([C@H](O2)[C@H](CC)C)C)O[C@H]([C@@H]1O[C@H]1C[C@H](OC)[C@H]([C@@H](O1)C)O)C,0.4250166416168213
COc1cc(F)ccc1[N+](=O)[O-],0.5580682754516602
COc1cc(Cl)nnc1c1ccccc1,0.3633314073085785
COc1cc(N)c(cc1N)C,0.5808286666870117
COc1cc(N)cc(c1N)OC,0.5323735475540161
COc1cc(N)c(cc1N)[N+](=O)[O-],0.6342082619667053
COc1cc(N)ccc1NC(=O)C,0.4223942756652832
COc1cc(N)ccc1N,0.6419210433959961
COc1cc(N)ccc1C,0.6065924763679504
COc1cc(N)c2c(c1N)C(=O)c1c(C2=O)cccc1,0.7589651346206665
COc1cc(N=Nc2ccccc2)ccc1[N+](=O)[O-],0.5658282041549683
COc1cc(N=Nc2ccccc2)ccc1N,0.7302268147468567
COc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1)C,0.4747342169284821
COc1c(O)c2N(CCc2c2c1[nH]c(c2)C(=O)N1CC2C3(C1=CC(=O)c1c3c(C)c[nH]1)C2)C(=O)c1cc2c([nH]1)c(OC)c(c1c2CCN1C(=O)N)O,0.5477573871612549
COc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1O)C,0.5258764028549194
COc1cc(O)c2c(c1)c1c(C)cc(cc1oc2=O)O,0.4011717736721039
COc1cc(O)c2c(c1)C1=CC(O)C(CC1(OC2=O)C)O,0.4221121370792389
COc1cc(N=Nc2ccc(cc2)N)c(cc1N=Nc1c(O)c2cc(N)ccc2cc1S(=O)(=O)O)C,0.5797557234764099
COc1cc(O)c2c(c1)oc1c(c2=O)c(O)ccc1O,0.5199351906776428
COc1cc(O)c2c(c1)oc(c(c2=O)O)c1ccc(c(c1)O)O,0.4906116425991058
COc1cc(O)c2c(c1)oc1c(c2=O)cc(cc1)O,0.5321413278579712
COc1cc(O)c2c(c1)oc1c(c2=O)cc(cc1)OC,0.4877714216709137
COc1cc(O)ccc1Nc1c2ccccc2nc2c1cccc2,0.6302002668380737
COc1cc(O)n2c(n1)nc(n2)S(=O)(=O)Nc1c(Cl)ccc(c1Cl)C,0.2974947094917297
COc1cc(O)nc(n1)NC(=O)N,0.31335052847862244
COc1cc(O)c2c(c1OC)oc1c(c2=O)c(OC)cc2c1C1CCOC1O2,0.5879043340682983
COc1cc(O)cc2c1cc([N+](=O)[O-])c1c2c2OCOc2cc1C(=O)O,0.5044159889221191
COc1cc(O)c2c(c1OC)oc1c(c2=O)c(OC)cc2c1[C@@H]1C=CO[C@H]1O2,0.4985345900058746
COc1cc(O)c2c(c1OC)oc1c(c2=O)c(OC)cc2c1[C@@H]1CCO[C@H]1O2,0.5221279263496399
COc1cc(OC)[nH]c(=O)n1,0.42139309644699097
COc1cc(O)nc(n1)Oc1cccc(c1C(=O)[O-])Oc1nc(OC)cc(n1)OC.[Na+],0.1903221011161804
COc1cc(/C=C/C(=O)OC2CCC34C(C2(C)C)CCC2C4(C3)CCC3(C2(C)CCC3C(CCC=C(C)C)C)C)ccc1O,0.4569823145866394
COc1cc(OC)c(cc1C1OC1C)OC,0.5338959097862244
COc1cc(O)nc(n1)n1c(=O)[nH]c(=O)c2c1nc(cc2)C(F)(F)F,0.3539414405822754
COc1cc(OC)c2c(c1)OC1C2C2OC2O1,0.5504043698310852
COc1cc(OC)c2c(c1)OC1C2C=CO1,0.4991545081138611
COc1cc(OC)c2c(c1)c(OC)c1c(n2)occ1,0.5967997312545776
COc1cc(OC)nc(n1)Cc1n(C)nc(c1C(=O)O)Cl,0.10815594345331192
COc1cc(OC)c(c(c1)n1c(cc(=O)c(c1c1ccc(cc1)F)C)c1ccccc1)Cl,0.373856246471405
COc1cc(OC)c2c(c1)oc1c(c2=O)cc(cc1)OC,0.5559724569320679
COc1cc(OC)n2c(n1)nc(n2)S(=O)(=O)Nc1c(Cl)ccc(c1Cl)C,0.3598896563053131
COc1cc(OC)c2c(c1)oc1c(c2=O)c(O)ccc1OC,0.4363223612308502
COc1cc(OC)n2c(n1)nc(n2)NS(=O)(=O)c1c(OC)nccc1C(F)(F)F,0.4157887399196625
COc1cc(OC)nc(n1)N,0.29207974672317505
COc1cc(OC)nc(n1)N(c1ncccc1S(=O)(=O)CC)C(=O)N,0.31561559438705444
COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)Nc1ccccc1C(=O)N(C)C,0.2766755223274231
COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)Cc1ccccc1C(=O)O,0.17626594007015228
COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)N(S(=O)(=O)C)C,0.2893516719341278
COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)c1n(C)ncc1c1nnn(n1)C,0.2743847668170929
COc1cc(OC)nc(n1)Oc1cccc(c1C(=O)O)O,0.22077074646949768
COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)c1ncccc1C(=O)N(C)C,0.2687516808509827
COc1cc(Oc2ccc(cc2Cl)Cl)cc(c1)[N+](=O)[O-],0.5601798295974731
COc1cc(OC)c2c(c1)c1c3OCOc3cc(c1c(c2)[N+](=O)[O-])C(=O)O,0.5469566583633423
COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)c1ncccc1S(=O)(=O)CC,0.27199044823646545
COc1cc(OC)nc(n1)Oc1cccc(c1C(=O)O)Oc1nc(OC)c(c(n1)OC)O,0.1585293710231781
COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)c1n2ccccc2nc1S(=O)(=O)CC,0.15813913941383362
COc1cc([N+](=O)[O-])c(c(c1)C(C)(C)C)O,0.4775190949440002
COc1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C,0.5298526287078857
COc1cc(OC)nc(n1)n1c(=O)[nH]c(=O)c2c1nc(cc2)C(F)(F)F,0.4218814969062805
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
COc1cc2CCN([C@H]3c2cc1Oc1c2c(CCN([C@H]2Cc2ccc(Oc4cc(C3)ccc4OC)cc2)C)cc2c1OCO2)C,0.5483474135398865
COc1ccc2-c3c4OCOc4cc4c3c(C(=O)c2c1)ncc4,0.6534389853477478
COc1ccc2-c3c(OC)c(OC)cc4c3c(C(=O)c2c1)ncc4,0.6187215447425842
COc1ccc2-c3nccc4c3c(C(=O)c2c1)c(OC)c(c4)OC,0.5528168678283691
COc1ccc2c(-c3nccc4c3c(C2=O)c(O)c(c4)OC)c1,0.5944711565971375
COc1ccc2c(c1)C1CCCCC1C=C2,0.5152592658996582
COc1ccc2c(-c3c(OC)c(OC)cc4c3c(C2=O)ncc4)c1,0.5747684240341187
COc1ccc2c(c1)C1CCCCC1C1C2O1,0.5409136414527893
COc1ccc2c(c1)[nH]c1c2CCN=C1C,0.6240662336349487
COc1ccc2c(-c3nccc4c3c(C2=O)c(OC)c(c4)OC)c1,0.44792574644088745
COc1ccc2c(c1)[nH]c1c2CCN=C1C.Cl.O.O,0.6431265473365784
COc1ccc2c(c1)[nH]c1c2ccnc1C,0.6756008863449097
COc1ccc2c(c1)c(=O)c1c(o2)cc(cc1O)O,0.5489915609359741
COc1ccc2c(c1)c(CCNC(=O)C)c[nH]2,0.4522135853767395
COc1ccc2c(c1)c(CC(=O)O)c(n2C(=O)c1ccc(cc1)Cl)C,0.3441407084465027
COc1ccc2c(c1)c1c(C)c(N)cc(c1[nH]2)C,0.7013436555862427
COc1ccc(cc1O)[C@@H]1CC(=O)c2c(O1)cc(cc2O)O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@@H]([C@H]([C@H]2O)O)O)[C@@H]([C@@H]([C@@H]1O)O)O,0.35656946897506714
COc1ccc2c(c1)c1oc(=O)ccc1c(c2)[N+](=O)[O-],0.6673927307128906
COc1ccc2c(c1)ccc(c2)C(C(=O)O)C,0.4242357611656189
COc1ccc2c(c1)c1c(OC)c(OC)cc3c1c(c2)N(C)CC3,0.6631187796592712
COc1ccc2c(c1)ccc(c2)CCC(=O)C,0.5779092311859131
COc1ccc2c(c1)cc1-c3cccc4c3c(-c1n2)ccc4,0.7749584317207336
COc1ccc2c(c1)ccc(c2)[C@@H](C(=O)O)C,0.4242357611656189
COc1ccc2c(c1)nc([nH]2)N,0.5622307658195496
COc1ccc2c(c1)nc(n2C)N,0.5604520440101624
COc1ccc2c(c1)ccc1c2cc(o1)[N+](=O)[O-],0.8534971475601196
COc1ccc2c(c1)sc(n2)N,0.6930842995643616
COc1ccc2c(c1)nc1c(c2OC)cco1,0.6207797527313232
COc1ccc2c(c1)oc(=O)cc2CBr,0.5431927442550659
COc1ccc2c(c1OC)nc1c(c2OC)CCO1,0.5430009961128235
COc1ccc2c(c1)c1cc(OC)ccc1c1c2c2ccc(cc2c2c1ccc(c2)OC)OC,0.7329593896865845
COc1cccc(c1)/C=C/c1ccc(cc1)N,0.6521541476249695
COc1ccc2c3c1C(=O)N(C)C(=O)c3ccc2,0.4969747960567474
COc1cccc(c1)/C=C/c1ccc(cc1)[N+](=O)[O-],0.6859795451164246
COc1ccc2c3c1cccc3OC(=C2)[N+](=O)[O-],0.7207624316215515
COc1cccc(c1)N,0.5267676711082458
COc1cccc(c1)NC(=O)c1csc(c1)[N+](=O)[O-],0.5743644833564758
COc1ccc2c3c1O[C@H]1[C@@]43CCN([C@H](C2)[C@@H]4C=C[C@@H]1O)C,0.5839464068412781
COc1cccc(c1)C(=O)ON(C(=O)c1ccccc1)OCc1ccccc1,0.4949803352355957
COc1cccc(c1)[N+](=O)[O-],0.6065601110458374
COc1cccc(c1C(=O)N)OC,0.4627154767513275
COc1cccc(c1O)C=O,0.5208370685577393
COc1cccc(c1)CN1C2C1c1ccccc1-c1c2cccc1,0.7354741096496582
COc1ccc2c(c1)[nH]c1c2CCN2[C@@H]1C[C@H]1[C@H](C2)C[C@H]([C@@H]([C@H]1C(=O)OC)OC)OC(=O)c1cc(OC)c(c(c1)OC)OC,0.6282020211219788
COc1cccc2-c3c(C(Cc12)[N+](=O)[O-])ccc1c3OCO1,0.8038600087165833
COc1ccc2c(c1)[nH]c1c2CCN2[C@@H]1C[C@H]1[C@H](C2)C[C@H]([C@@H]([C@H]1C(=O)OC)OC)OC(=O)/C=C/c1cc(OC)c(c(c1)OC)OC,0.5872851014137268
COc1cccc2c1C(=O)c1c(C2=O)cccc1,0.5438536405563354
COc1cccc2c1C(=O)c1c(C2=O)c(O)c2c(c1O)[C@@H](O)C[C@](C2)(O)C(=O)C,0.5515806078910828
COc1cccc2c1C(=O)c1c(C2=O)c(O)c2c(c1O)C(OC1CC(N)C(C(O1)C)O)CC(C2)(O)C(=O)C,0.4814099371433258
COc1cccc2c1C(=O)c1c(C2=O)c(O)c2c(c1O)[C@@H](O[C@@H]1O[C@@H](C)[C@@H]([C@H](C1)N(C)C)O)C[C@](C2)(O)C(=O)C,0.5507143139839172
COc1cccc2c1C(=O)c1c(C2=O)c(O)c2c(c1O)[C@@H](O[C@H]1C[C@H](N)[C@H]([C@@H](O1)C)O)C[C@](C2)(O)C(=O)C,0.6029673218727112
COc1cccc2c1C(=O)c1c(C2=O)c(O)c2c(c1O)[C@@H](O[C@H]1C[C@H](N)[C@H]([C@@H](O1)C)O)C[C@](C2)(O)C(=O)C.Cl,0.4814099371433258
COc1cccc2c1C1(C)OOC1(O2)C,0.35348790884017944
COc1cccc2c1C(=O)c1c(O)c3C(O)CC(Cc3c(c1C2=O)O)(O)C(=O)CO,0.5243576169013977
COc1cccc2c1OC1(C2(C)OO1)C,0.4089387357234955
COc1cccc2c1nc(s2)N,0.7234290838241577
COc1cccc2c1nc1occc1c2OC,0.5826030969619751
COc1cccc2c1ccc1c2c2OCOc2cc1C(=O)O,0.5826137065887451
COc1ccccc1CC1CO1,0.50508052110672
COc1ccccc1/N=N/c1c(O)ccc2c1cccc2,0.5915123224258423
COc1ccccc1C[C@H]1CO1,0.5396990180015564
COc1ccccc1N,0.596784770488739
COc1cccc2c1cc([N+](=O)[O-])c1c2c2OCOc2cc1C(=O)O,0.6294428110122681
COc1cccc2c1cc1NC(=O)c3c1c2c1OCOc1c3,0.6364983320236206
COc1ccccc1NC(=O)c1csc(c1)[N+](=O)[O-],0.6376219987869263
COc1ccccc1O,0.4827218949794769
COc1ccccc1N=Nc1c(O)ccc2c1cccc2,0.5854105949401855
COc1ccccc1N.Cl,0.6591809988021851
COc1ccn(c(=O)n1)CC(CN=N#N)O,0.4640080034732818
COc1ccccc1c1ccccc1,0.5320440530776978
COc1ccccc1[N+](=O)[O-],0.5012944340705872
COc1nc(C)nc(n1)N,0.3814376294612885
COc1nc(NC(=O)N)nc(c1)OC,0.3356974720954895
COc1nc(C)nc(n1)N(C(=O)NS(=O)(=O)c1ccccc1C(=O)OC)C,0.33232688903808594
COc1cnc(n2c1nc(n2)NS(=O)(=O)c1c(cccc1C(F)(F)F)OCC(F)F)O,0.5203134417533875
COc1nc(NC(=O)NOS(=O)Nc2ccccc2C(=O)N(C)C)nc(c1)O,0.2741336226463318
COc1nc(nc(c1)O)NC(=O)NS(=O)(=O)N(S(=O)(=O)C)C,0.3363925218582153
COc1nc(nc(c1)O)NC(=O)NS(=O)(=O)c1ncccc1C(=O)N(C)C,0.23166477680206302
COc1nc(Oc2cccc(c2C(=O)[O-])Oc2nc(OC)cc(n2)OC)nc(c1)OC.[Na+],0.1257154643535614
COc1nc(nc(c1)O)NC(=O)NS(=O)(=O)c1n(C)ncc1c1nnn(n1)C,0.2956931293010712
COc1nc(nc(c1)O)Oc1cccc(c1C(=O)[O-])O.[Na+],0.3022595047950745
COc1ccccc1NC(=O)C(C(=O)C)N=Nc1ccc(cc1Cl)c1ccc(c(c1)Cl)N=NC(C(=O)Nc1ccccc1OC)C(=O)C,0.560359001159668
COc1nc(nc(c1)OC)NC(=O)NS(=O)(=O)Cc1ccccc1C(=O)OC,0.15482117235660553
COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)O,0.1974262297153473
COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c1ccccc1C(=O)OC,0.2941020131111145
COc1nc(nc(c1)OC)[N-]C(=O)NS(=O)(=O)c1nc(ccc1C(=O)OC)C(F)(F)F.[Na+],0.2273119986057281
COc1nc(nc(c1)OC)NC(=O)NS(=O)(=O)c1n(C)nc(c1C(=O)OC)Cl,0.19669385254383087
COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c1ccccc1Cl,0.3339594602584839
COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c1ccsc1C(=O)O,0.20626100897789
COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c1ccsc1C(=O)OC,0.2893450558185577
COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c1ccccc1CCC(F)(F)F,0.17315921187400818
COc1nc2cc(cc(c2nc1OC)CBr)[N+](=O)[O-],0.8145818710327148
COc1nc2c(CBr)cccc2nc1OC,0.5692638158798218
COc1nccc(c1S(=O)(=O)N)C(F)(F)F,0.5643426775932312
COc1ncc(c2n1nc(n2)S(=O)(=O)Nc1c(F)cccc1F)F,0.4843873083591461
COc1nccc(c1S(=O)(=O)O)C(F)(F)F,0.39951637387275696
COc1ncc(c2n1nc(n2)NS(=O)(=O)c1c(cccc1C(F)(F)F)OCC(F)F)OC,0.5148104429244995
COc1nncc2c1cccc2,0.6427271366119385
COc1nncc2c1cccn2,0.5175466537475586
COc1nc2nc(nn2c(c1Cl)O)NS(=O)(=O)c1c(OC)nccc1C(F)(F)F,0.40616145730018616
COc1nn(c(=O)n1C)C(=O)NS(=O)(=O)c1c(C)scc1C(=O)O,0.5022227168083191
COc1nncc2c1nccc2,0.4974245429039002
COc1nncc2c1ccnc2,0.627226710319519
COc1nncc2c1cncc2,0.5777724981307983
COc1nsc2c1c(ccc2)[N+](=O)[O-],0.7432848215103149
COc1nsc2c1cc(N)cc2,0.6849636435508728
COc1nsc2c1cc(OC[C@H]1CO1)cc2,0.6385733485221863
COc1nsc2c1cc(OCC1CO1)cc2,0.7639109492301941
COc1nsc2c1cc(cc2)[N+](=O)[O-],0.8387308120727539
COc1nsc2c1ccc(c2)OC[C@H]1CO1,0.5815839171409607
COc1nsc2c1ccc(c2)N,0.7291958332061768
COc1nsc2c1ccc(c2)OCC1CO1,0.5951582193374634
COc1nsc2c1cccc2N,0.751128077507019
COc1cc2c(cc1O)CCN[C@@]12CSC2c3c(OC(=O)C)c(C)c4c(c3[C@H](COC1=O)N1[C@@H]2[C@@H]2N([C@H]([C@@H]1O)Cc1c2c(O)c(c(c1)C)OC)C)OCO4,0.4779557287693024
COc1nsc2c1ccc(c2)[N+](=O)[O-],0.8133413195610046
COc1nsc2c1cccc2OC[C@H]1CO1,0.544219434261322
COc1nsc2c1cccc2OCC1CO1,0.5652529001235962
COc1nsc2c1cccc2[N+](=O)[O-],0.7804757952690125
CS(=O)(=O)O,0.22838827967643735
CS(=O)(=O)C,0.34934201836586
CS(=O)(=O)OC1CN(C1)C(c1ccccc1)c1ccccc1,0.4633470475673676
CS(=O)(=O)O.CCN(CCNc1ccc(c2c1c(=O)c1c(s2)cccc1)CO)CC,0.5168532133102417
COc1cccc2c1C(=O)c1c(O)c3[C@@H](O[C@H]4C[C@H](N)[C@@H]([C@@H](O4)C)O)C[C@](Cc3c(c1C2=O)O)(O)/C(=N/NC(=O)c1ccccc1)/C,0.4877286851406098
CS(=O)(=O)Nc1ccc(cc1)Nc1c2ccccc2nc2c1cccc2,0.6116961240768433
CS(=O)(=O)OCCCNCCCOS(=O)(=O)C,0.3583341836929321
CS(=O)(=O)OCCCCOS(=O)(=O)C,0.3823060691356659
CS(=O)(=O)OCCCNCCCOS(=O)(=O)C.Cc1ccc(cc1)S(=O)(=O)O,0.3954903185367584
CS(=O)(=O)N1C2C1c1ccccc1-c1c2cccc1,0.5844606757164001
CS(=O)C,0.33932554721832275
CS(=O)c1cc(cnc1C(=O)O)C(F)(F)F,0.33407503366470337
CSC(/C=N\O)(C)C,0.453122615814209
CSC(/C=N/O)(C)C,0.4626525044441223
CS(=O)CCC(=O)N1C(CSC1c1ccccc1O)C(=O)O,0.2381125241518021
CS(=O)CC(=O)N(c1c(C)cccc1C)Cn1cccn1,0.365817129611969
CS(=O)(=O)OCCc1ccc(cc1)OCc1ccccc1,0.24138572812080386
CSCC(C(=O)O)N,0.2616757750511169
CSC(=O)c1cccc2c1snn2,0.658831775188446
CSC1=N[C@@](C(=O)N1)(C)c1ccccc1,0.40024489164352417
CSC(=NOC(=O)N(SN(C(=O)ON=C(SC)C)C)C)C,0.4574190676212311
CSCC(C(=O)O)NC(=O)C(SC)(C)C,0.3414588570594788
CSC1=NC(C(=O)N1Nc1ccccc1)(C)c1ccccc1,0.41375112533569336
CSCCC(C(=O)O)N,0.3212849795818329
CSCCC(C(=O)O)NC(=O)COc1cc(Cl)c(cc1Cl)Cl,0.12391278892755507
CSCCC(C(=O)NC(C(=O)O)Cc1ccccc1)NC=O,0.360626220703125
CSCCC(=O)N1C(CSC1c1ccccc1O)C(=O)O,0.2405789792537689
CSCCC=O,0.32668381929397583
CSCC[C@@H](C(=O)N[C@H](C(=O)O)Cc1ccccc1)NC=O,0.3035023510456085
CSCCC(C(=O)O)NC(=O)COc1ccc(cc1Cl)Cl,0.09484782069921494
CSCC[C@@H](C(=O)O)NC(=O)COc1cc(Cl)c(cc1Cl)Cl,0.12391278892755507
CSCCC(C(=O)NC(C(=O)NC(C(=O)N)Cc1ccccc1)CC(=O)O)NC(=O)C(Cc1c[nH]c2c1cccc2)N,0.472285270690918
CSCCl,0.4641167521476746
CSCC[C@@H](C(=O)OCC)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(cc1)F)N)Cc1cccc(c1)N(CCCl)CCCl,0.5245807170867921
CSCNc1ccccc1,0.43001651763916016
CSCNc1ccccc1C(=O)C,0.4862627983093262
CSCC[C@@H](C(=O)OCC)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(cc1)F)N)Cc1cccc(c1)N(CCCl)CCCl.Cl,0.4711199402809143
CSCC(C(=O)NC(C(C(=O)N1CSCC1C(=O)NC(C)(C)C)O)Cc1ccccc1)NC(=O)COc1cccc2c1ccnc2,0.17750981450080872
CSCNc1ccccc1OC,0.5403560996055603
CSSC,0.3798546195030213
CSc1cc(SC)c(c(c1N)C)N,0.5307658910751343
CSc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],0.6665251851081848
CSc1ccc(cc1)Cl,0.3827807307243347
CSc1ccc(cc1C)OP(=S)(OC)OC,0.4000994563102722
C[C@@H](C(C)(C)C)O[P@@](=O)(Cl)C,0.2429332286119461
CSc1nnc(c(=O)n1N)C(C)(C)C,0.4376704096794128
C[C@@H](CCC[C@]1(C)CCc2c(O1)c(C)c(c(c2C)O)C)CCC[C@@H](CCCC(C)C)C,0.219010591506958
C[C@@H](Nc1ccc(cc1)N[C@@H](CCC(C)C)C)CCC(C)C,0.2483042776584625
C[C@@H](ON=O)CC,0.3898366689682007
C[C@@H](c1ccccc1)Br,0.5099269151687622
C[C@@H](CCC[C@]1(C)CCc2c(O1)c(C)c(c(c2C)OC(=O)CCC(=O)O)C)CCC[C@@H](CCCC(C)C)C,0.17321732640266418
C[C@@H](c1ccccc1)CCc1ccccc1,0.24559620022773745
C[C@@H]([C@@H](Cc1ccc(c(c1)O)O)C)Cc1ccc(c(c1)O)O,0.40891575813293457
CSCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)Cc1ccccc1)CC(=O)O)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)OCc1ccccc1,0.3409850597381592
C[C@@H]1CCC(=C(C)C)C(=O)C1,0.3863859474658966
C[C@@H](c1ccccc1)N(C)C,0.4465338289737701
C[C@@H]1C(C)(C)c2c(C1(C)C)cc(c(c2)C)C(=O)C,0.344458281993866
C[C@@H]1C=Cc2c1ccc1c2ccc2c1cccc2,0.595867395401001
C[C@@H]1CC[C@H](CC1)C(C)C,0.19297055900096893
C[C@@H]1CC[C@H](C(=O)C1)C(C)C,0.3015057742595673
C[C@@H]1CC[C@H]([C@@H](C1)O)C(C)C,0.3462187349796295
C[C@@H]1CC[C@H]([C@H](C1)OC(=O)c1ccccc1N)C(C)C,0.3812898099422455
C[C@@H]1CCC[C@@H](N1CCC[C@](c1ccccn1)(c1ccccc1)O)C.Cl,0.14973939955234528
C[C@@H]1CCc2c1ccc1c2ccc2c1cccc2,0.605789303779602
C[C@@H]1CCc2c1cc(C)c1c2ccc2c1cccc2,0.6961100697517395
C[C@@H]1CN(N=O)[C@H](CN1N=O)C,0.630778968334198
C[C@@H]1CNC[C@H](O1)C,0.2573172748088837
C[C@@H]1CNC(=O)N1c1ncc(s1)[N+](=O)[O-],0.4464750289916992
C[C@@H]1N(C(=O)N)C(=O)S[C@H]1c1ccc(cc1)Cl,0.3795563280582428
C[C@@H]1NC(=O)S[C@H]1c1ccc(cc1)Cl,0.30554330348968506
C[C@@H]1N(C(=O)NC2CCCCC2)C(=O)S[C@H]1c1ccc(cc1)Cl,0.3095234632492065
C[C@@H]1C[C@H]2OC(=O)[C@@]3([C@H]2[C@H]([C@@]2([C@H]1C=CC2=O)C)O[C@]3(C)O)C,0.50951087474823
C[C@@H]1NCCN(C1)c1cc2c(c(c1F)C)c(=O)c(cn2C1CC1)C(=O)O,0.4219464361667633
C[C@@H]1OC(=O)c2c(C1)c(Cl)cc(c2O)C(=O)N[C@@H](C(=O)O)Cc1ccccc1,0.19981437921524048
C[C@@H]1O[C@@H](C)CN(C1)N=O,0.4842338562011719
C[C@@H]1OCCc2c1cc1c(c2)C([C@@H](C1(C)C)C)(C)C,0.3720233142375946
C[C@@H]1O[C@H]1c1ccccc1,0.4670838415622711
C[C@@H]1O[C@@H]1C,0.4535462856292725
C[C@@H]1O[C@@H](C)O[C@H](C1)OC(=O)C,0.25528484582901
C[C@@]1(CO1)C=C,0.429791271686554
C[C@@H]1c2ccccc2-c2c1cc(C)c(c2)C,0.5333582162857056
C[C@H](C(=O)NCc1ccc(cc1)Cl)Br,0.4173111915588379
C[C@@]1(CO1)[C@H]1CO1,0.3867558836936951
C[C@H](C(=O)N)Br,0.39859113097190857
C[C@H](C(=O)NCC(=O)O)S,0.1320054531097412
C[C@H](C(=O)NCc1ccccc1)Br,0.4490144848823547
C[C@H](C(=O)Nc1ccccc1)Br,0.4348072111606598
C[C@H](C(=O)O)Oc1ccc(cc1)Oc1ccc(cc1F)C(=O)O,0.20178985595703125
C[C@H](C(=O)O)Oc1cc(Cl)c(cc1Cl)Cl,0.331898033618927
C[C@H](CBr)O,0.4533673822879791
C[C@H](C=O)CC,0.2622615993022919
C[C@H](CN(C[C@H](O)C)CCN(C[C@H](O)C)C[C@H](O)C)O,0.3813358843326569
C[C@H](CCC(=O)c1cocc1)O,0.4010683000087738
C[C@H](CCl)O,0.5512045621871948
C[C@H](CCc1ccccc1)NC[C@H](c1ccc(c(c1)C(=O)N)O)O,0.3754192590713501
C[C@H](CN(C[C@H](O)C)C[C@H](O)C)O,0.28659510612487793
C[C@H](CN(C[C@H](O)C)N=O)O,0.4710603654384613
C[C@H](CN)O,0.366684764623642
C[C@H](CN(C[C@H](O)C)C[C@H](O)C)O.OC(=O)COc1ccc(cc1Cl)Cl,0.3663499355316162
C[C@H](CN1C[C@@H](OC1=O)C)O,0.3716621696949005
C[C@H](CNC[C@H](O)C)O,0.3495827317237854
C[C@H](CO)Cl,0.4734413623809815
C[C@H](C[N+](NC(=O)C(=C)C)(C)C)O,0.2972448468208313
C[C@H](COC[C@H](O)C)O,0.23865708708763125
COc1cc2N(C)C3C4(c2cc1C1(CC2CN(CCc5c1[nH]c1c5cccc1)CC(C2)(O)CC)C(=O)OC)CCN1C4C(C(C3(O)C(=O)OC)OC(=O)C)(CC)C=CC1,0.47550168633461
C[C@H](COC(C)(C)C)O,0.2053244411945343
C[C@H]([C@H](O)C)O,0.4218481481075287
C[C@H]([C@@H](CCl)Br)Br,0.4516105055809021
C[C@H]([C@@H](CBr)Br)Cl,0.4740505814552307
C[C@H](OC(=O)C)CN(C[C@@H](OC(=O)C)C)N=O,0.4497552812099457
C[C@H](NC(=O)c1cccnc1)CNC(=O)c1cccnc1,0.2366920411586761
C[C@H]1CC(=O)O1,0.11034844815731047
C[C@H](c1ccccc1)O,0.4888778626918793
C[C@H](c1cc2ccc3c4c2c(c1)ccc4ccc3)O,0.6342121362686157
C[C@H]([C@H]1C(=O)N2[C@H]1SC(=C2C(=O)O)[C@H]1CCCO1)O.[Na+],0.33460816740989685
C[C@@H]1CC[C@@]2(OC1)O[C@H]1[C@H]([C@@H]2C)[C@@]2([C@@H](C1)[C@@H]1CC=C3[C@]([C@H]1CC2)(C)CC[C@@H](C3)O)C,0.4632241725921631
C[C@H]1CC(C)(C)c2c(C1(C)C)cc(c(c2)C(=O)C)C,0.355015367269516
C[C@H](c1ccc2c3c1ccc1c3c(cc2)ccc1)O,0.5757211446762085
C[C@H]1CCCC(=O)CCC/C=C/c2c(C(=O)O1)c(O)cc(c2)O,0.4252102971076965
C[C@H]1CCOS(=O)(=O)O1,0.3381578326225281
C[C@H]1CCC[C@@]2([C@]1(O)CCCC2)C,0.3549617230892181
C[C@H]1CC[C@@H]([C@H](C1)O)C(C)C,0.3018389642238617
C[C@H]1CCCC(=O)CCC/C=C\c2c(C(=O)O1)c(O)cc(c2)O,0.4722471833229065
C[C@H]1CC[C@@H]2[C@@H](C1)[C@@H](CC[C@@H]2C)C(C)C,0.31741228699684143
C[C@H]1CN1,0.3823530077934265
C[C@H]1CC[C@H]2[C@@H]([C@@]3([C@@H]1C=CC3=O)C)OC(=O)C2=C,0.3885296285152435
C[C@H]1CO1,0.359079509973526
C[C@H]1CS1,0.2464241236448288
C[C@H]1CS(=O)(=O)CCN1/N=C/c1ccc(o1)[N+](=O)[O-],0.5256559252738953
C[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3,0.6281636357307434
C[C@H]1C[C@@H](C)C(=O)[C@H](C1)[C@H](CC1CC(=O)NC(=O)C1)O,0.10881076008081436
C[C@H]1C[C@@H](OC(=O)c2ccccc2O)CC(C1)(C)C,0.2803109884262085
C[C@H]1OC=C2C(=C(C)C(=O)C(=C2O)C(=O)O)[C@@H]1C,0.3620140254497528
C[C@]1(N)CC[C@H](CC1)C(N)(C)C,0.2867361903190613
C[C@H]1CN(C)[C@H]2[C@H](C1)c1cc(Br)cc3c1c(C2)cn3CC1CC1,0.583337664604187
C[C@]1(OC1)c1ccc(cc1)c1ccccc1,0.4731693863868714
C[C@H]1OC(=O)c2c(C1)ccc(c2O)C(=O)N[C@H](C(=O)O)Cc1ccccc1,0.3020089268684387
C[C@]12CC[C@H](CC1)C(O2)(C)C,0.1805698424577713
C[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C1CCCC1,0.6717504262924194
C[C@]1(OC1)c1ccccc1,0.5547318458557129
C[C@]12CC[C@@H](C2(C)C)C[C@@]1(C)O,0.3336142301559448
C[N+](Cc1ccccc1)(C)C,0.5049367547035217
C[N+](CC1OC1)(C)C,0.2707426846027374
C[N+](=C1C=CC(=C(c2ccc(cc2)N(C)C)c2ccccc2)C=C1)C,0.5258208513259888
C[N+]1(C)CCCCC1.[Cl-],0.2623529732227325
C[N+](Cc1ccccc1)(C)C.Cl,0.387702077627182
C[N+]1(C)CCOCC1,0.3204585611820221
C[N+]1(C)CCOCC1.Cl,0.3739676773548126
C[N+](=C1C=CC(=C(c2ccc(cc2)N(C)C)c2ccc(cc2)N(C)C)C=C1)C,0.5592195391654968
C[Si](N=N#N)(C)C,0.4591976702213288
C[N+]1=CC=C(CC1)c1ccccc1,0.4339272081851959
C[Si](O[Si](C)(C)C)(O[Si](C)(C)C)C,0.3163566589355469
C[Si](O)(C)C,0.3542996644973755
C[Si](N[Si](C)(C)C)(C)C,0.280608594417572
C[Si](O[Si](C)(C)C)(C)C,0.2850135564804077
C[n+]1c2ccccc2c(c2c1cccc2)N.Cl,0.7411936521530151
C[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C,0.3428524434566498
C[n+]1c2ccccc2c(c2c1cccc2)N,0.7453692555427551
C[n+]1c2ccccc2cc2c1cccc2.Cl,0.692761242389679
C[n+]1c2ccccc2cc2c1cccc2,0.692761242389679
C[Si](c1ccc(cc1)[Si](CCCOCC1OC1)(C)C)(CCCOCC1OC1)C,0.3212662637233734
C[n+]1c2ccccc2cc2c1cccc2N,0.7202373743057251
C[n+]1c2ccccc2cc2c1cccc2N.Cl,0.8102710843086243
C[n+]1ccc(cc1)c1ccccc1,0.39294758439064026
C[n+]1c2ccccc2nc2c1cccc2,0.7878817319869995
C[n+]1c2ccccc2nc2c1cccc2.COS(=O)(=O)O,0.7804202437400818
C[n+]1ccc(cc1)c1cc[n+](cc1)C,0.3197554647922516
C[n+]1cccc(c1)C(=O)O,0.2969395518302917
C[n+]1cccc2c1C=C[C@@H]1[C@H]2O1,0.5158335566520691
C[n+]1cccc(c1)OC(=O)N(C)C,0.2992084324359894
C[n+]1cccc(c1)OC(=O)N(C)C.Br,0.2476305514574051
Cc1c(C)c(Br)c(c(c1Br)Br)Br,0.3863338530063629
C[n+]1ccsc1N=Nc1c(c2ccccc2)n(c2c1cccc2)C,0.6116229295730591
C[n+]1ccsc1/N=N/c1c(c2ccccc2)n(c2c1cccc2)C.Cl,0.5692518353462219
Cc1c(Br)c2c(n1S(=O)(=O)C1=NN=C[N]1)cc(cc2)F,0.5282764434814453
Cc1c(C)c([N+](=O)[O-])c(c(c1C)[N+](=O)[O-])C(C)(C)C,0.3838297426700592
Cc1c(C)cccc1C,0.3363424837589264
Cc1c(C)ccc(c1C)C,0.36488693952560425
Cc1c(C)c2ccccc2c2c1c(Cl)c1ccccc1n2,0.5520515441894531
Cc1c(C)c2nccnc2c2c1n(C)c(n2)N,0.7405833005905151
Cc1c(C)cccc1N,0.5163941383361816
Cc1c(N)ccc(c1C)N,0.573369026184082
Cc1c(N)c(C)c(c(c1C)N)C,0.546156108379364
Cc1c(N)cccc1Cl,0.5378926992416382
Cc1c(C)cccc1O,0.4706953167915344
Cc1c(C)c2ccccc2c2c1c(N)c1ccccc1n2,0.6136333346366882
Cc1c(C)cccc1N=Nc1c(O)ccc2c1cccc2,0.6492855548858643
Cc1c(N)cccc1N=[N+](c1cccc(c1C)N)[O-],0.645050585269928
Cc1c(NC)ccc2c1nccn2,0.6879499554634094
Cc1c(N)cccc1N=Nc1cccc(c1C)N,0.6653204560279846
Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-],0.7664972543716431
Cc1c(ccc(c1C1=NOCC1)S(=O)(=O)C)C(=O)c1c[nH]n(c1=O)C,0.5785745978355408
Cc1c2[C@H]3N[C@H]3c3c(-c2cc2c1cccc2)cccc3,0.7491935491561891
Cc1c2C3NC3c3c(-c2c(c2c1cccc2)C)cccc3,0.7207438349723816
Cc1c2C3OC3c3c(-c2c(c2c1cccc2)C)cccc3,0.6577647924423218
Cc1c2C3OC3c3c(-c2cc2c1cccc2)cccc3,0.6853321194648743
Cc1c2[C@H]3O[C@H]3c3c(-c2cc2c1cccc2)cccc3,0.7071212530136108
Cc1c2[C@H]3O[C@H]3c3c(-c2c(c2c1cccc2)C)cccc3,0.6228753328323364
Cc1c2cc(C)c(cc2c(c2c1cccc2)C)C,0.682799756526947
Cc1c2ccc3c(c2nc2c1cccc2)cccc3,0.5796356201171875
Cc1c2ccc3c(c2cc2c1cccc2)cccc3,0.6809545755386353
Cc1c2ccc3c(c2c(c2c1cccc2)C)cccc3,0.6578009128570557
Cc1c2cc(C)c3c(c2nc2c1cccc2)cccc3,0.6143381595611572
Cc1c2ccccc2c(c2c1cccc2)C,0.7416810989379883
Cc1c2cccc(c2nc2c1ccc1c2cccc1)C,0.5824829339981079
Cc1c2ccccc2c(c2c1cccc2)COS(=O)(=O)O,0.6244655251502991
Cc1c2ccccc2c(c2c1cccc2)[C@@H]1CO1,0.6579293012619019
Cc1c2ccccc2c2c3c1ccc1c3c(cc2)ccc1,0.6470133662223816
Cc1c2ccccc2cc2c1c1ccccc1cc2,0.7994604706764221
Cc1c2ccccc2cc2c1cccc2,0.8297527432441711
Cc1c2ccccc2c(c2c1c1ccccc1cc2)COS(=O)(=O)O,0.6607226133346558
Cc1c2ccccc2c(c2-c3c4c(-c12)cccc4ccc3)C,0.7374905347824097
Cc1c2cnccc2c(c2c1c1ccccc1[nH]2)C,0.6338687539100647
Cc1cc(=O)[nH]c(=S)[nH]1,0.2946767807006836
Cc1cc(=O)[nH]o1,0.4651361107826233
Cc1cc(C)c(c(c1)C)C,0.3223380446434021
Cc1c[nH]cn1,0.4561703205108642
Cc1c[nH]c(=S)[nH]c1=O,0.4039909839630127
Cc1cc(C)c(c(c1N)C)N,0.5496514439582825
Cc1cc(C)c(c(c1)C)N,0.5132373571395874
Cc1cc(C)c(cc1C)C,0.26833242177963257
Cc1cc(C)c(cc1/N=N/c1cc(c2c(c1O)cccc2)S(=O)(=O)O)S(=O)(=O)O.[Na+].[Na+],0.4712472558021546
Cc1cc(C)c(cc1[N+](=O)[O-])[N+](=O)[O-],0.7431031465530396
Cc1cc(C)c(cc1N=Nc1cc(c2c(c1O)cccc2)S(=O)(=O)O)S(=O)(=O)O,0.472072184085846
Cc1cc(C)c2c(c1)c1ccccc1cc2,0.7074556350708008
Cc1cc(C)c(c(c1)C)CN1C2C1c1ccccc1-c1c2cccc1,0.5823105573654175
Cc1cc(C)c2c(c1N)nsn2,0.7008388638496399
Cc1cc(C)c2c(c1)c(C)c1c(n2)c2ccccc2cc1,0.5995751023292542
Cc1cc(C)c2c(n1)cc(c(c2)C)N,0.6182757019996643
Cc1cc(C)cc(c1)/N=N/c1c(O)ccc2c1cccc2,0.6012389063835144
Cc1cc(C)c2c(c1)ccc1c2cccc1,0.6087773442268372
Cc1cc(C)cc(c1)C,0.3217494785785675
Cc1cc(C)cc(c1)N,0.5241694450378418
Cc1cc(C)cc(c1)C(=O)N(C(C)(C)C)NC(=O)c1ccc(cc1)C(=O)C,0.405991405248642
Cc1cc(C)cc(c1)C(=O)N(C(C)(C)C)NC(=O)c1ccc(cc1)C(O)C,0.4017936289310455
Cc1cc(C)cc(c1)C(=O)N(C(C)(C)C)NC(=O)c1ccc2c(c1C)CCCO2,0.34213903546333313
Cc1cc(C)cc(c1)C(=O)N(C(C)(C)C)NC(=O)c1ccc2c(c1C)C(O)CCO2,0.4115404486656189
Cc1cc(C)nc(n1)N,0.3688982129096985
Cc1cc(C)cc(c1)O,0.3654521107673645
Cc1cc(C)nc(n1)Nc1ccccc1,0.4582845568656922
Cc1cc(C)cc(c1)N=Nc1c(O)ccc2c1cccc2,0.6186354160308838
Cc1cc(N)cc(c1)N,0.4686592519283295
Cc1cc(N)c(cc1C)C,0.4838767647743225
Cc1cc(N)c(cc1N)C,0.5750423669815063
Cc1cc(N)c(cc1Cl)S(=O)(=O)O,0.4973467290401459
Cc1cc(O)c(c(=O)o1)C(=O)C,0.38683629035949707
Cc1cc(Cc2cc(C)cc(c2O)C(C)(C)C)c(c(c1)C(C)(C)C)O,0.24816158413887024
Cc1cc(O)c(c(=O)o1)C(=O)C.[Na+],0.3269824385643005
Cc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)c(c(c1)O)O,0.5802880525588989
Cc1cc(O)c2c(c1)C(=O)C(=CC2=O)c1c(C)cc2c(c1O)C(=O)C=CC2=O,0.4779458940029144
Cc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1)O,0.4927159249782562
Cc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1O)O,0.5505847930908203
Cc1cc(O)c(cc1C1(OS(=O)(=O)c2c1cccc2)c1cc(C)c(cc1C)O)C,0.5318485498428345
Cc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)ccc1,0.5381468534469604
Cc1cc(O)nc(n1)S,0.1266307532787323
Cc1cc(O)c2c(c1O)C(=O)c1c(C2=O)c(O)ccc1O,0.5303698182106018
Cc1cc([N+](=O)[O-])c(c2c1[nH]c1c2cccc1)C,0.8434094190597534
Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C,0.37516602873802185
Cc1cc([N+](=O)[O-])c(c2c1n(C)c1c2cccc1)C,0.760513424873352
Cc1cc(cc(c1)C)[N+](=O)[O-],0.5534825325012207
Cc1cc(c(c(c1)C(C)(C)C)O)C(c1ncc(n1C)[N+](=O)[O-])O,0.3986114263534546
Cc1cc(cc(c1)C(=O)O)C(=O)N(C(C)(C)C)NC(=O)c1ccc2c(c1C)C(O)CCO2,0.2587201297283173
Cc1cc(cc(c1N)C)c1cc(C)c(c(c1)C)N,0.6262334585189819
Cc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1c1c(O)cc(c2c1C(=O)c1cc(C)cc(c1C2=O)O)O)O,0.51360023021698
Cc1cc(ccc1/N=N/c1c(O)ccc2c1cccc2)/N=N/c1ccccc1C,0.610672652721405
Cc1cc(ccc1/N=N/c1ccc(c(c1)C(=O)O)O)c1ccc(c(c1)C)/N=N/c1c(N)c(C)cc(c1N)S(=O)(=O)O.[Na+].[Na+],0.4874911904335022
Cc1cc(ccc1/N=N/c1ccccc1)N(C)C,0.6534332036972046
Cc1cc(ccc1C)N=Nc1c(O)ccc2c1cccc2,0.6040917634963989
Cc1cc(ccc1N)/N=N/c1ccccc1C,0.5694183111190796
Cc1cc(ccc1N)/N=N/c1ccccc1C.Cl,0.6468719840049744
Cc1cc(ccc1N)N=Nc1ccccc1C,0.5694183111190796
Cc1cc(ccc1N)c1ccccc1C,0.618740439414978
Cc1cc(O)c2c(c1)C(=O)[C@]13C(=C(O)[C@H]4[C@H]([C@@H]3[C@H]3[C@@H]([C@@H]1C(=C1[C@@]43C(=O)c3c(C1=O)c(O)cc(c3)C)O)O)O)C2=O,0.5130640864372253
Cc1cc(ccc1/N=N/c1c(O)c2c(O)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O)c1ccc(c(c1)C)/N=N/c1c(O)c2c(O)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O,0.4613359570503235
Cc1cc(ccc1/N=N/c1c(O)c2c(N)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O)c1ccc(c(c1)C)/N=N/c1c(O)c2c(N)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O,0.6262954473495483
Cc1cc(ccc1N=Nc1c(O)ccc2c1cccc2)N=Nc1ccccc1C,0.610672652721405
Cc1cc(ccc1/N=N/c1ccc2c(c1O)c(N)c(cc2S(=O)(=O)O)S(=O)(=O)O)c1ccc(c(c1)C)/N=N/c1ccc2c(c1O)c(N)c(cc2S(=O)(=O)O)S(=O)(=O)O,0.5986707210540771
Cc1cc(ccc1N=Nc1ccc(c(c1)C(=O)O)O)c1ccc(c(c1)C)N=Nc1c(N)c(C)cc(c1N)S(=O)(=O)O,0.4368583261966705
Cc1cc(ccc1N=Nc1ccccc1)N(C)C,0.6068060398101807
Cc1cc(nc(n1)N)C1CC1,0.3723267018795013
Cc1cc(nc(n1)O)C1CC1,0.2888264060020447
Cc1cc2-c3ccccc3Cc2cc1C,0.5069349408149719
Cc1cc(ccc1N=Nc1c(O)c2c(N)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O)c1ccc(c(c1)C)N=Nc1c(O)c2c(N)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O,0.5312272310256958
Cc1cc2CCCc2c2c1c1ccccc1cc2,0.7749642133712769
Cc1cc(ccc1N=Nc1cc(c2c(c1N)cccc2)S(=O)(=O)O)c1ccc(c(c1)C)N=Nc1cc(c2c(c1N)cccc2)S(=O)(=O)O,0.5782882571220398
Cc1cc2c(NC(=O)CCl)snc2cc1,0.7751854062080383
Cc1cc(ccc1N=Nc1c(O)c2c(O)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O)c1ccc(c(c1)C)N=Nc1c(O)c2c(O)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O,0.5672636032104492
Cc1cc2c(C)cccc2c2c1c1ccccc1cc2,0.8257828950881958
Cc1cc2c(O)cccc2c2c1cc1ccccc1c2,0.7280772924423218
Cc1cc2c(c3c1cccc3)ccc1c2cccc1,0.7164648771286011
Cc1cc2[nH]c3c(c2c2c1cccc2)c1ccccc1c(c3)C,0.6490195989608765
Cc1cc2c(c3c1nc(cn3)c1ccccc1)nc(n2C)N,0.6224371194839478
Cc1cc2c(nc1N)[nH]c1c2cccc1,0.6058539748191833
Cc1cc2c(c3c1ncc(n3)c1ccccc1)nc(n2C)N,0.6221626996994019
Cc1cc2c(cc1C)nc1c(c2C)ccc2c1cccc2,0.7384467720985413
Cc1cc2cc3cccc(c3c(c2c(c1)O)O)O,0.5681760907173157
Cc1cc2c3c4c1cccc4ccc3cc1c2cccc1,0.7477830052375793
Cc1cc2cc3ccccc3cc2c2c1cccc2,0.6916325688362122
Cc1cc(O)c2c(c1)C(=O)C13C4(C2=O)C(=O)C2C(C1C1C(C3C(=O)C34C(=O)c4c(O)cc(cc4C(=O)C213)C)C)C,0.5185888409614563
Cc1cc2ccc3c4c2c(c1)ccc4cc1c3cccc1,0.7322834134101868
Cc1cc2cc3ccccc3c3c2c2c1cccc2cc3,0.7386458516120911
Cc1cc2ccccc2c(c1)[N+](=O)[O-],0.8601101636886597
Cc1cc2ccccc2c(c1)C,0.584576427936554
Cc1cc2cccc3-c4c(-c(c1)c23)cc1ccccc1c4,0.7983164787292479
Cc1cc2cccc3c2c2c1c1ccccc1cc2cc3,0.7571547627449036
Cc1cc2ccccc2c2c1c1ccccc1cc2,0.7269313931465149
Cc1cc2cccc3c2c2c1cc1ccccc1c2cc3,0.8048849105834961
Cc1cc2cccnc2c(c1)C(=O)O,0.31052595376968384
Cc1cc2ccccc2c2c1cc1ccccc1c2,0.6681875586509705
Cc1cc2n(C)c(nc2c2c1nccn2)N,0.693071186542511
Cc1cc2ccccc2c2c1c1ccccc1c(c2)[N+](=O)[O-],0.8282769918441772
Cc1cc2nc3-c(n(c2cc1C)C)nc(=O)[nH]c3=O,0.5194386839866638
Cc1cc2ncccc2c2c1n(C)c(n2)N,0.6937216520309448
Cc1cc2ncccc2c2c1n(C)cn2,0.717437744140625
Cc1ccc(c(c1)C(=O)O)/N=C/c1cccc2c1nccc2,0.3993883728981018
Cc1cc(ccc1N=Nc1ccc2c(c1O)c(N)c(cc2S(=O)(=O)O)S(=O)(=O)O)c1ccc(c(c1)C)N=Nc1ccc2c(c1O)c(N)c(cc2S(=O)(=O)O)S(=O)(=O)O,0.5540632009506226
Cc1ccc(c(c1)C)C,0.38807743787765503
Cc1ccc(c(c1)C)/N=C/N=C/N(c1ccc(cc1C)C)C,0.5970641374588013
Cc1ccc(c(c1)C(=O)O)[N+](=O)[O-],0.3945667743682861
Cc1ccc(c(c1)C)N,0.502479612827301
Cc1ccc(c(c1)C)/N=N/c1c(O)ccc2c1cccc2,0.6090728044509888
Cc1ccc(c(c1)C)O,0.3492254316806793
Cc1ccc(c(c1)C)/N=N/c1c2ccc(cc2cc(c1O)S(=O)(=O)O)S(=O)(=O)O,0.5481386184692383
Cc1ccc(c(c1)C)[N+](=O)[O-],0.7238699197769165
Cc1ccc(c(c1)C)N=Nc1c(O)ccc2c1cccc2,0.5928076505661011
Cc1ccc(c(c1)N)N,0.5048724412918091
Cc1ccc(c(c1)C)N=Nc1c2ccc(cc2cc(c1O)S(=O)(=O)O)S(=O)(=O)O,0.4952011704444885
Cc1ccc(c(c1)N)C,0.5426319837570189
Cc1ccc(c(c1)N)O,0.556610643863678
Cc1ccc(c(c1)C)OP(=O)(Oc1ccc(cc1C)C)Oc1ccc(cc1C)C,0.4054805338382721
Cc1ccc(c(c1)O)C(C)C,0.3754231929779053
Cc1ccc(c(c1)N)[N+](=O)[O-],0.6501098871231079
Cc1ccc(c(c1)O)C,0.4749608635902405
Cc1ccc(c(c1)O)N,0.5222601294517517
Cc1ccc(c(c1)O)O,0.4468633532524109
Cc1ccc(c(c1)O)NS(=O)(=O)N(C)C,0.5593699216842651
Cc1ccc(c(c1)S(=O)(=O)O)N,0.4579905867576599
Cc1ccc(c(c1)[N+](=O)[O-])C,0.7206729650497437
Cc1ccc(c(c1)S(=O)(=O)O)N=Nc1c(O)ccc2c1cccc2,0.45441073179245
Cc1ccc(c(c1)S(=O)(=O)O)N=Nc1c(O)c(cc2c1cccc2)C(=O)O,0.5185197591781616
Cc1ccc(c(c1)[N+](=O)[O-])/N=N/c1c(O)ccc2c1cccc2,0.6179007291793823
Cc1ccc(c(c1)[N+](=O)[O-])N,0.6163730025291443
Cc1ccc(c(c1)S(=O)(=O)O)/N=N/c1c(O)c(cc2c1cccc2)C(=O)O.[Na+].[Na+],0.5356900095939636
Cc1ccc(c(c1)S(=O)(=O)O)Nc1ccc(c2c1C(=O)c1ccccc1C2=O)N,0.4237740933895111
Cc1ccc(c(c1O)C)C,0.4302672743797302
Cc1ccc(c(c1)[N+](=O)[O-])N=Nc1c(O)ccc2c1cccc2,0.651915431022644
Cc1ccc(c(c1)[N+](=O)[O-])[N+](=O)[O-],0.7259857654571533
Cc1ccc(c2c1ccc1c2cccc1)C,0.748261034488678
Cc1ccc(c2c1c1ccccc1[nH]2)C,0.6925690174102783
Cc1ccc(c(c1C(c1ncc(n1C)[N+](=O)[O-])O)O)C(C)(C)C,0.3083970546722412
Cc1ccc(c2c1cccc2)C,0.5608949661254883
Cc1ccc(c(c1)C)NC(=O)C(C(=O)C)N=Nc1ccc(cc1Cl)c1ccc(c(c1)Cl)N=NC(C(=O)Nc1ccc(cc1C)C)C(=O)C,0.44319209456443787
Cc1ccc(cc1)/C=C/c1ccc(cc1)N,0.6215289831161499
Cc1ccc(cc1)/N=N/N(C)C,0.7800086140632629
Cc1ccc(cc1)/N=N/NCc1ccc(cc1)[N+](=O)[O-],0.6318844556808472
Cc1ccc(cc1)/C=C/c1ccc(cc1)[N+](=O)[O-],0.6097258925437927
Cc1ccc(cc1)/N=N/NCc1ccccc1,0.635587215423584
Cc1ccc(c2c1n(C)c1c2cccc1)C,0.7276718020439148
Cc1ccc(cc1)/N=N/c1c(O)ccc2c1cccc2,0.5544971227645874
Cc1ccc(cc1)C(=O)c1cc(O)c(c(c1)[N+](=O)[O-])O,0.5930982828140259
Cc1ccc(cc1)C(N)C,0.43759435415267933
Cc1ccc(cc1)/C(=C\CN1CCCC1)/c1ccccn1,0.3133344650268555
Cc1ccc(cc1)Br,0.4528796076774597
Cc1ccc(cc1)C(=O)n1ncc(c(c1=O)Cl)Cl,0.5328748226165771
Cc1ccc(cc1)C(C)(C)C,0.2596848607063293
Cc1ccc(cc1)C(O)(C)C,0.42265200614929205
Cc1ccc(cc1)CC1OC1,0.4809054434299469
Cc1ccc(cc1)C,0.46855813264846796
Cc1ccc(cc1)CC[C@@H]1OC1,0.5481898188591003
Cc1ccc(cc1)N(C(=O)C)O,0.5335441827774048
Cc1ccc(cc1)COS(=O)(=O)c1ccc(cc1)C,0.4912287592887878
Cc1ccc(cc1)C[C@@H]1OC1,0.5372098088264465
Cc1ccc(cc1)Cc1ccccc1,0.4556212425231934
Cc1ccc(cc1)C(=O)ON(C(=O)c1ccccc1)OCc1ccccc1,0.4785033762454986
Cc1ccc(cc1)N=NN(C)C,0.7096088528633118
Cc1ccc(cc1)N(C)C,0.5895665884017944
Cc1ccc(cc1)NC(=O)c1csc(c1)[N+](=O)[O-],0.4502758085727692
Cc1ccc(cc1)Cl,0.3316112160682678
Cc1ccc(cc1)CN1C2C1c1ccccc1-c1c2cccc1,0.603121280670166
Cc1ccc(cc1)NN=NCc1ccc(cc1)[N+](=O)[O-],0.7713279724121094
Cc1ccc(cc1)N(S(=O)(=O)N(C)C)SC(Cl)(Cl)F,0.28773513436317444
Cc1ccc(cc1)N=Nc1c(O)ccc2c1cccc2,0.5397640466690063
Cc1ccc(cc1)OC[C@@H]1OC1,0.5193045735359192
Cc1ccc(cc1)NN=NCc1ccccc1,0.6867204904556274
Cc1ccc(cc1)Nc1ccc(cc1)[N+](=O)[O-],0.6826106309890747
Cc1ccc(cc1)O,0.416789710521698
Cc1ccc(cc1)S(=O)(=O)NC1CCCCC1,0.40602096915245056
Cc1ccc(cc1)NS(=O)(=O)c1cccc2c1nccc2,0.4605106711387634
Cc1ccc(cc1)Nc1ccc(c2c1C(=O)c1ccccc1C2=O)O,0.6539870500564575
Cc1ccc(cc1)OP(=O)(Oc1cccc(c1)C)Oc1cccc(c1)C,0.4735425412654877
Cc1ccc(cc1)S(=O)(=O)OCC1OC1,0.5069342851638794
Cc1ccc(cc1)S(=O)(=O)OC[C@@H]1OC1,0.5582544207572937
Cc1ccc(cc1)S(=O)(=O)OCc1ccc(cc1)[N+](=O)[O-],0.4671431183815002
Cc1ccc(cc1)S(=O)(=O)O.CCOC[C@H](COc1ccc(cc1)NC(=O)CC[S+](C)C)O,0.22623446583747864
Cc1ccc(cc1)S(=O)(=O)N1C2C1c1ccccc1-c1c2cccc1,0.5949415564537048
Cc1ccc(cc1)[C@H]1OC1,0.5808638334274292
Cc1ccc(cc1)S(=O)(=O)n1ncc(c(c1=O)Cl)Cl,0.5204042196273804
Cc1ccc(cc1)[N+]#N,0.6343890428543091
Cc1ccc(cc1)S(=O)(=O)OCc1ccccc1,0.5462483167648315
Cc1ccc(cc1C)S(=O)(=O)O.[Na+],0.37026017904281616
Cc1ccc(cc1)S(=O)(=O)N1[C@@H]2[C@H]1c1ccccc1-c1c2cccc1,0.6675707697868347
Cc1ccc(cc1C)S(=O)(=O)O,0.397297739982605
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
Cl/C=C/CO/N=C(/C1=C(O)CC(CC1=O)CC(SCC)C)\CC,0.549151599407196
Cl/C=C/C[N@+]12CN3CN(C2)CN(C1)C3,0.7483208775520325
Cl/C=C/CO/N=C(/C1=C(O)CC(CC1=O)(O)CC(S(=O)(=O)CC)C)\CC,0.5158426165580751
Cl/C=C/c1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl,0.516193687915802
Cl/C=C/CO/N=C(/C1=C(O)CC(CC1=O)CC(S(=O)(=O)CC)C)\CC,0.5396420359611511
ClC(=C(Cl)Cl)C(=C(Cl)Cl)Cl,0.3096577525138855
ClC(=C(Cl)Cl)CS(=O)(=O)O,0.34849420189857483
Cl/C=C\C[N+]12CN3CN(C2)CN(C1)C3,0.8333647847175598
ClC(/C(=C(\C(=O)O)/Cl)/C(=O)O)Cl,0.3652200996875763
ClC(/C(=C(/C(=O)O)\Cl)/C(=O)O)Cl,0.3652200996875763
ClC(=C(SSc1ccccc1[N+](=O)[O-])Cl)Cl,0.3675742745399475
ClC(=C)C=O,0.4514787197113037
ClC(=C(SSc1ccccc1[N+](=O)[O-])F)Cl,0.4539419114589691
ClC(=C1C(=O)NC(=O)C1(Cl)Cl)Cl,0.3332759439945221
ClC(=C1OC(=O)C(=C1)Cl)Cl,0.3866051137447357
ClC(=C1C=CC(=O)O1)Cl,0.328511655330658
ClC(=C(c1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl)Cl)Cl,0.15431641042232513
ClC(=C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl,0.3230729699134827
ClC(=O)CCc1ccccc1,0.3035343885421753
ClC(=O)Cc1ccccc1,0.5083913207054138
ClC(=C1OC(=O)C(=C1Cl)Cl)Cl,0.30612510442733765
ClC(=Cc1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl)Cl,0.3715773522853851
ClC(=O)OCc1ccccc1,0.4197430610656738
ClC(=C[C@H]1[C@@H](C1(C)C)C(=O)OCc1cccc(c1)Oc1ccccc1)Cl,0.3014543950557709
ClC(=O)c1c(Cl)cccc1Cl,0.3760209083557129
ClC(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-],0.4251464903354645
ClC(=O)OCC1c2ccccc2-c2c1cccc2,0.5670544505119324
ClC(=O)c1ccc(cc1)C,0.5155001878738403
ClC(=O)c1cccc(c1)[N+](=O)[O-],0.5855234265327454
ClC(=CCOc1cc(Cl)c(c(c1)Cl)OCCCOc1cccc(n1)C(F)(F)F)Cl,0.1484888643026352
ClC(=O)c1ccc(cc1)C(=O)Cl,0.4782167375087738
ClC(=O)c1ccccc1Cl,0.422322690486908
ClC(=O)c1ccccc1,0.4849418103694916
ClC(=O)c1ccccc1F,0.4391105175018311
ClC(=O)c1ccccc1C(=O)Cl,0.4015745520591736
ClC(=O)c1ccccc1C,0.4169928431510925
ClC(=O)c1ccc(cc1)[N+](=O)[O-],0.6594456434249878
ClC(C(=O)C)Cl,0.4854632019996643
ClC(C(=O)C(Cl)Cl)Cl,0.5114524960517883
ClC(C(=O)C(Cl)(Cl)Cl)Cl,0.4875975251197815
ClC(C(=C(C(=O)O)Cl)C(Cl)Cl)Cl,0.4392835199832916
ClC(C(=O)Nc1snc2c1cc(C)cc2)Cl,0.700648307800293
ClC(C(=CC(=O)O)C(Cl)Cl)Cl,0.4322536587715149
ClC(C(=O)N1CCN(C1=O)c1ncc(s1)[N+](=O)[O-])Cl,0.5455383658409119
ClC(C(Cl)(Cl)Cl)COCC(C(Cl)(Cl)Cl)Cl,0.40850600600242615
ClC(C(=O)O)Cl,0.4241970181465149
ClC(C(C(F)(F)F)(F)F)Cl,0.5889708995819092
ClC(C(Cl)Cl)Cl,0.531959593296051
ClC(C(Cl)(Cl)Cl)Cl,0.4104181826114655
ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)(Cl)Cl,0.2879353165626526
ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl,0.5557015538215637
ClC(C[C@@H]1OC1)(Cl)Cl,0.2322465628385544
ClC(C1=C(Cl)C(=O)OC1)Cl,0.4619920253753662
ClC(C1=C(Cl)C(=O)O[C@H]1O)Cl,0.4364505708217621
ClC(SN1C(=O)C2C(C1=O)CC=CC2)(Cl)Cl,0.4544202387332916
ClC(C1=C(Cl)C(=O)OC1O)Br,0.4904833436012268
ClC(SN1C(=O)[C@H]2[C@H](C1=O)CC=CC2)(Cl)Cl,0.3725623488426209
ClC(c1ccccc1)C(=O)Cl,0.5088701248168945
ClC([C@H]1OC1)(Cl)Cl,0.2890217900276184
ClC(c1ccccc1)(Cl)Cl,0.27482151985168457
ClC([C@@H](c1ccccc1Cl)c1ccc(cc1)Cl)Cl,0.5769429802894592
ClC(SN1C(=O)c2c(C1=O)cccc2)(Cl)Cl,0.3883238136768341
ClC/C(=C(/C(=O)O)\Cl)/C(Cl)Cl,0.4192086756229401
ClC/C=C/Cl,0.5127503871917725
ClC/C(=C(\C(=O)O)/Cl)/C(=O)O,0.4867819845676422
ClC/C=C\Cl,0.5348236560821533
ClC/C(=C(\C(=O)O)/Cl)/C=O,0.5438684225082397
ClC/C=C/CCl,0.6040164232254028
ClC(c1ccccc1)Cl,0.5721703171730042
ClC(c1ccccc1)C(=O)NCc1ccccc1,0.593400239944458
ClC1=C(Cl)C(=O)OC1,0.3852660655975342
ClC1=CC(=O)C(C1=O)(Cl)Cl,0.4365875720977783
ClC1=C(Cl)C(=O)C(C1=O)(Cl)Cl,0.4170338213443756
ClC1=C(Cl)C(=O)C(=C(C1=O)Cl)Cl,0.4361502528190613
ClC1=C(Cl)C(C(=C1Cl)Cl)(Cl)Cl,0.3454771339893341
ClC1CCN(CC1)N=O,0.8720777630805969
ClC=C(C)C,0.4844726622104645
ClC1OC1CBr,0.6553274989128113
ClC1=C(Cl)C(=C(C1(Cl)C1(Cl)C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)Cl,0.23847392201423645
ClCC(=C)Br,0.4866789877414704
ClCC(=O)CCl,0.686854362487793
ClCC(=C)Cl,0.4558167457580566
ClC1c2cc3ccccc3c3c2c2c1cccc2cc3,0.7474902868270874
ClCC(=O)NCc1ccccc1,0.5698012113571167
ClCC(=O)N(c1snc2c1cccc2)C,0.6904797554016113
ClC1=C(Cl)[C@@]2(C([C@@]1(Cl)[C@@H]1[C@H]2[C@H]2C[C@@H]1[C@@H]1[C@H]2O1)(Cl)Cl)Cl,0.3349509835243225
ClCC(=O)N(c1c(C)cccc1C)Cn1cccn1,0.5512309074401855
ClCC(=O)Nc1snc2c1cccc2,0.7677609324455261
ClCC(=O)Nc1c(CC)cccc1CC,0.4915760159492493
ClC1=C(Cl)[C@@]2(C([C@@]1(Cl)[C@@H]1[C@H]2[C@H]2C[C@@H]1C=C2)(Cl)Cl)Cl,0.3846037983894348
ClCC(=O)Nc1snc2c1ccc(c2)Cl,0.7945836782455444
ClCC(=O)Nc1snc2c1cc(Cl)cc2,0.7466360330581665
ClC1C2C(Cl)C(C(C1Cl)(C2(C)C(Cl)Cl)C(Cl)Cl)Cl,0.5535956621170044
ClCC(=O)OC(C)C,0.4382042288780213
ClCC(=O)OC(P(=O)(OC)OC)C(Cl)(Cl)Cl,0.5024307370185852
ClCC(=O)c1ccc(cc1Cl)Cl,0.5883585810661316
ClCC(=O)O[C@H](P(=O)(OC)OC)C(Cl)(Cl)Cl,0.5412925481796265
ClCC(CCl)(CCl)CCl,0.5534414052963257
ClCC(CBr)(Br)C,0.5109635591506958
ClCC(C(=C)Cl)Cl,0.4415338635444641
ClCC(=O)c1ccccc1,0.603937566280365
ClCC(C(Br)(C)C)Br,0.38767340779304493
ClCC(=O)c1ccc(cc1)NC(=O)C,0.4817495346069336
ClCC(CCl)Cl,0.3844830691814423
ClCC(F)(F)F,0.5185233354568481
ClCC(CCl)O,0.5157819986343384
ClCC(Cl)(Cl)Cl,0.4094761312007904
ClCC(Cl)Cl,0.4807634353637695
ClCC(OP(=O)(OC(CCl)CCl)OC(CCl)CCl)CCl,0.6104615926742554
ClCC(CCl)Br,0.4529836773872376
ClCC(COc1ccc(cc1)C(c1ccc(cc1)OCC(CCl)O)(C)C)O,0.3958447873592377
ClCC1=C(Cl)C(=O)OC1O,0.5148547887802124
ClCC1=C(Cl)C(=O)OC1,0.497412770986557
ClCC1=C(Cl)C(=O)O[C@H]1O,0.5196689367294312
ClCC1=C(Br)C(=O)OC1,0.519670307636261
ClCC1=CC(=O)OC1,0.5919561386108398
ClCC=CCCl,0.6041765213012695
ClCC=C,0.4881505072116852
ClCC1CN(C(=O)C1Cl)c1cccc(c1)C(F)(F)F,0.4462436139583588
ClCCBr,0.5499880909919739
ClCCC(=O)/N=c/1\sn(c2c1cccc2)C(=O)CCCl,0.4953721463680267
ClCC1(C(Cl)Cl)C2CC(C1(CC2(Cl)Cl)C(Cl)Cl)(Cl)Cl,0.5039268732070923
ClCC12C(Cl)C(C(C2(CCl)CCl)CC1(Cl)Cl)Cl,0.5504969358444214
ClCCC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)CCCl,0.6769202351570129
ClCC1(C(Cl)Cl)C2C(C(C1(C(Cl)Cl)C(C2Cl)Cl)Cl)Cl,0.5331282615661621
ClCCC(=O)N(c1snc2c1cccc2)CC(C)C,0.5587308406829834
ClCC1C(CCl)C2(C(C1(Cl)C(=C2Cl)Cl)(Cl)Cl)Cl,0.4800310134887695
ClCCC(CBr)Br,0.4536863267421722
ClCCC(=O)N(c1snc2c1cccc2)C,0.671319842338562
ClCCCBr,0.4577875733375549
ClCCC(=O)N(c1snc2c1cccc2)CC,0.6759614944458008
ClCCCC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)CCCCl,0.6510341763496399
ClCCCCN(COC(=O)C)N=O,0.6961581110954285
ClCCCN(C)C,0.5045511126518251
ClCCCC(=O)/N=c/1\sn(c2c1cccc2)C(=O)CCCCl,0.6901484131813049
ClCCCN(COC(=O)C)N=O,0.7054601907730103
ClCCCC(=O)N(c1snc2c1cccc2)C,0.6770097017288208
ClCCCC(=O)N(c1snc2c1cccc2)CC,0.5971006155014038
ClCCCNC(=O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N,0.514696478843689
ClCCN(C(=O)NCC(=O)N)N=O,0.8043252825737
ClCCN(C(=O)NCCS(=O)(=O)N(C)C)N=O,0.6581650972366333
ClCCN(C(=O)NC1CCCCC1)N=O,0.7521693110466003
ClCCN(C(=O)NC1CCC(CC1)C)N=O,0.6538802981376648
ClCCCl,0.5144664049148561
ClCCN(C(=O)NC(C(C(C(CO)O)O)O)C=O)N=O,0.6713201999664307
ClCCN(C)C,0.5374823808670044
ClCCN(C(=O)N[C@@H]1CC[C@H](CC1)C)N=O,0.6012470722198486
ClCCN(C(=O)NCc1cnc(nc1N)C)N=O,0.4919971525669098
ClCCN(C(=O)N[C@@H](P(=O)(OCC)OCC)C)N=O,0.7739697694778442
ClCCN(CCCNc1c2ccc(cc2nc2c1nc(OC)cc2)Cl)CC,0.7312349081039429
ClCCN(CCCNc1c2cc(OC)ccc2nc2c1ccc(c2)Cl)CC.Cl.Cl,0.8523527383804321
ClCCN(CCCNc1c2cc(OC)ccc2nc2c1ccc(c2)Cl)CC,0.8040442466735841
ClCCN(CCCNc1c2CCCCc2nc2c1cccc2)CC,0.8858041763305664
ClCCN(CCCNc1c2ccc(cc2nc2c1nc(OC)cc2)Cl)CC.Cl.Cl,0.7326250076293945
ClCCN(CCCNc1c2ccccc2nc2c1cccc2)CC.Cl.Cl,0.914984405040741
ClCCN(CCCNc1c2ccccc2nc2c1cccc2)CC,0.8111790418624878
ClCCN(CCCNc1c2ccccc2nc2c1cccc2OC)CC,0.8132345080375671
ClCCN(CCCNc1c2ccccc2nc2c1ccc1c2nccc1)CC,0.9247311353683472
ClCCN(CCCNc1c2ccccc2nc2c1ccc1c2cccc1)CC.Cl.Cl,0.8075398206710815
ClCCN(P(=O)(O)N)CCCl,0.6127398014068604
ClCCN(CCCNc1c2ccccc2nc2c1ccc1c2cccc1)CC,0.8319020271301271
ClCCN(CCCl)C,0.7614938616752625
ClCCN(CCCl)CCCl,0.6771960258483887
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
Cn1cnc(c1Sc1ncnc2c1nc[nH]2)[N+](=O)[O-],0.5430660247802734
Cn1cc2c(n1)cc(cc2)[N+](=O)[O-],0.8207514882087708
Cn1c2ccc3c(c2c2c1ccc1c2cccc1)cccc3,0.7799049615859985
Cn1cnc2c1c(=O)n(C)c(=O)n2C,0.4101564884185791
Cn1cnc(c1c1ccccc1)[N+](=O)[O-],0.5986971855163574
Cn1cnc(c1Sc1[nH]cnc2-c1ncn2)[N+](=O)[O-],0.6128653883934021
Cn1cnc2c1c(=O)[nH]c(=O)n2C,0.4445263743400574
Cn1cnc2c1ccc1c2cccn1,0.7812612056732178
Cn1c(N)nc2c1ccc1c2nc(c(n1)c1ccccc1)c1ccccc1,0.6214950680732727
Cn1ncc(c(c1=O)Cl)N,0.5243197679519653
Cn1nc(c(c1)C(=O)O)C(F)F,0.4828905463218689
Cn1nnc(n1)c1cnn(c1S(=O)(=O)N)C,0.5114138722419739
Cn1nc(c(c1)C(=O)Nc1cccc2c1[C@@H]1CC[C@H]2[C@@H]1C(O)(C)C)C(F)F,0.5801588296890259
Cn1sc(cc1=O)Cl,0.4128890633583069
Cn1sc(cc1=O)Cl.Cn1sccc1=O,0.44813886284828186
Cn1nc(c(c1)C(=O)Nc1ccccc1c1cc(F)c(c(c1)F)F)C(F)F,0.6657569408416748
Cn1nc(c(c1)C(=O)Nc1cccc2c1[C@H]1CC[C@@H]2[C@H]1C(O)(C)C)C(F)F,0.4948568344116211
FC(C(C(Cl)(F)F)(F)F)Cl,0.5575557947158813
FC(C(C(C(I)(F)F)(F)F)(F)F)(F)F,0.20604261755943296
FC(C(C(F)(F)F)F)F,0.5108762383460999
FC(C(Cl)(Cl)F)(Cl)Cl,0.3839191198348999
FC(C(Cl)(F)F)(Cl)F,0.426859050989151
Cn1nc(c(c1)C(=O)Nc1ccccc1C1CC1C1CC1)C(F)F,0.6316646337509155
FC(C1=C(C=N[N]1)C(=O)O)F,0.5828944444656372
FC(C(F)(F)F)(Cl)F,0.3161189556121826
FC(CCc1ccccc1S(=O)(=O)N)(F)F,0.5106407403945923
FC(C(F)(F)F)C(F)(F)F,0.5449142456054688
FC(C(F)(F)F)Cl,0.5647108554840088
FC(C(Oc1cc(Cl)c(cc1Cl)N)(F)F)C(F)(F)F,0.6029470562934875
FC(C(F)(F)F)F,0.5315433144569397
FC(OC(C(F)(F)F)Cl)F,0.6490122079849243
FC(COc1nc(N)nc(n1)N)(F)F,0.3602827489376068
FC(COc1cccc(c1S(=O)(=O)NC1=NN=C[N]1)C(F)(F)F)F,0.535331130027771
FC(c1ccccc1)(F)F,0.5137151479721069
FC(COc1cccc(c1S(=O)(=O)Nc1nnc([nH]1)C(=O)O)C(F)(F)F)F,0.5035343170166016
FC(n1c(C)n[nH]c1=O)F,0.6963310837745667
FC(Oc1ccc(cc1)N)(F)F,0.5342034101486206
FC(OC(C(Cl)F)(F)F)F,0.44325828552246094
FC(c1ccc(cc1)Cl)(F)F,0.5053118467330933
F[C@H](C(C(Cl)(F)F)(F)F)Cl,0.5944938063621521
FCC(F)(F)F,0.5451038479804993
FC[C@H]1CO1,0.8266839981079102
Fc1c(F)c(F)c(c(c1Cl)F)Cl,0.3343563675880432
Fc1c(N)cc(c(c1Cl)F)Cl,0.5428603291511536
Fc1c[nH]c(=O)[nH]c1=O,0.3731264173984528
Fc1c(F)c(F)c(c(c1F)Cl)F,0.4844892024993897
Fc1cc(F)c2c(c1)nccc2,0.3724073767662048
Fc1cc(cc(c1N)F)c1cc(F)c(c(c1)F)N,0.5661135911941528
Fc1cc(Cl)c(cc1n1nc(n(c1=O)C(F)F)C)C(=O)O,0.485400140285492
FCCn1cc(C(=O)O)c(=O)c2c1c(F)c(N1CCN(CC1)C)c(c2)F,0.5403615832328796
Fc1cc2cccnc2c(c1)F,0.5560944080352783
Fc1cc2ccccc2c2c1cccn2,0.5869146585464478
Fc1ccc(c(c1)F)N,0.5501085519790649
FC(c1cccc(c1)CN1C2C1c1ccccc1-c1c2cccc1)(F)F,0.4140732288360596
Fc1cc2cccnc2c2c1cccn2,0.5929462313652039
Fc1ccc(c(c1)[N+](=O)[O-])F,0.5635595321655273
Fc1cc2cccnc2c2c1cccc2,0.675027072429657
Fc1cc2c(cc1N1CCNCC1)n(cc(c2=O)C(=O)O)C1CC1,0.4090479910373688
Fc1cc2cccnc2c2c1nccc2,0.606572151184082
Fc1ccc(c(c1)F)NC(=O)c1cccnc1Oc1cccc(c1)C(F)(F)F,0.4975333213806152
Fc1ccc(c(c1)c1ccc(c(c1)Cl)Cl)NC(=O)c1cn(nc1C(F)F)C,0.5470016002655029
Fc1ccc(cc1)/C=C/C(=O)c1ccccc1,0.4232637286186218
Fc1ccc(c2c1ccc1c2nccc1)F,0.6594533324241638
Fc1ccc(c2c1ccc1c2cccn1)F,0.5574313998222351
Fc1ccc(c2c1nccc2)F,0.522542417049408
Fc1ccc(cc1)C(=O)/C=C/c1ccccc1,0.5320917367935181
Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl,0.31512650847435
Fc1ccc(cc1)C(=O)CCCN1CCN(CC1)c1ccccn1,0.31380006670951843
Fc1ccc(cc1)C1OC1C(=O)c1ccccc1,0.3775862157344818
Fc1ccc(cc1)C(c1ccccc1F)(Cn1cncn1)O,0.5106368064880371
Fc1ccc(cc1)C(=O)[C@H]1O[C@@H]1c1ccccc1,0.4906616806983948
Fc1ccc(cc1)C1(Cn2cncn2)OC1c1ccccc1Cl,0.4849216341972351
Fc1ccc(cc1)CN1C2C1c1ccccc1-c1c2cccc1,0.590309739112854
Fc1ccc(cc1)NC(=O)c1cccc(n1)Oc1cccc(c1)C(F)(F)F,0.481424480676651
Fc1ccc(cc1)NC(=O)c1csc(c1)[N+](=O)[O-],0.5444294810295105
Fc1ccc(cc1)[C@@H]1O[C@H]1C(=O)c1ccccc1,0.4594297409057617
Fc1ccc(cc1)Cn1c(/C=N/OCc2cccc(c2)[N+](=O)[O-])nc2c1ccc(c2)[N+](=O)[O-],0.7556235790252686
Fc1ccc2-c3c(C(c2c1)C)cc(cc3)F,0.44026318192482
Fc1ccc2-c3c(-c4c2c1ccc4)c1ccccc1cc3,0.812698483467102
Fc1ccc2-c3c(-c4c2c1ccc4)cc1c(c3)cccc1,0.7243215441703796
Fc1ccc(cc1)n1cc(C(=O)O)c(=O)c2c1cc(N1CCNCC1)c(c2)F,0.4819510579109192
Fc1ccc2-c3c(C(c2c1)C)cccc3,0.5743153095245361
Fc1ccc2-c3c(-c4c2c1ccc4)ccc1c3cccc1,0.7936776280403137
Fc1ccc2c(c1)c1ncccc1cc2,0.6793961524963379
Fc1ccc2-c3c([C@H](c2c1)C)cccc3,0.4912973940372467
Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(O)nc2c1cccc2,0.3008325695991516
Fc1ccc2c(c1)cc1-c3cccc4c3c(-c1c2)ccc4,0.8286862373352051
Fc1ccc2c(c1)cccn2,0.5987333059310913
Fc1ccc(cc1)Cn1c(nc2c1cccc2)N1CCC(CC1)N(c1nccc(n1)O)C,0.24966880679130554
Fc1ccc(cc1)Cn1c(nc2c1cccc2)N1CCC(CC1)N(c1nccc(=O)[nH]1)C,0.3394063115119934
Fc1ccc2c(c1)n(c(c2Br)C)S(=O)(=O)c1ncn(n1)S(=O)(=O)N(C)C,0.5550936460494995
Fc1ccc2c(c1)nccc2,0.5618687868118286
Fc1ccc2c(c1)ccc1-c3c4c(-c21)cccc4ccc3,0.840709388256073
Fc1ccc2c(c1)sc(n2)O,0.4991976618766785
Fc1ccc2c(c1)sc(n2)C(O)C,0.5625527501106262
Fc1ccc2c(c1)sc(n2)c1nc2c(s1)cc(cc2)F,0.6231738328933716
Fc1ccc2c(c1)sc(n2)C(=O)C,0.5804835557937622
Fc1ccc2c(c1F)cccn2,0.5824982523918152
Fc1ccc2c(n1)cccc2,0.3806695342063904
Fc1cccc(c1NS(=O)(=O)c1nn2c(n1)c(F)cnc2O)F,0.3692009150981903
Fc1cccc(c1)NC(=O)c1csc(c1)[N+](=O)[O-],0.5067125558853149
Fc1cccc(n1)F,0.3705155253410339
Fc1cccc2c1c1cccnc1cc2,0.5851477384567261
Fc1ccc2c(c1F)nccc2,0.5750516653060913
Fc1cccc2c1nccc2,0.5509085655212402
Fc1cccc2c1ccc1c2cccn1,0.5849508047103882
Fc1ccccc1,0.4873265624046326
Fc1cccc2c1ccc1c2nccc1,0.6699405908584595
Fc1cccc2c1cccn2,0.5504879951477051
Fc1cccc2c1cc1-c3cccc4c3c(-c1c2)ccc4,0.7992491126060486
Fc1cccnc1,0.4314759373664856
Fc1ccccc1C(=O)c1c(C)nn(c1N)C,0.4086595475673676
Fc1ccccn1,0.3530747592449188
Fc1ccccc1c1ccccc1,0.585430920124054
Fc1ccnc2c1cccc2,0.512285590171814
Fc1cnc2c(c1)c(F)ccc2,0.5362657308578491
Fc1cnc2c(c1)ccc1c2cc(F)cn1,0.6933904886245728
Fc1cnc2c(c1)cc(c1c2cccc1)F,0.6815112233161926
Fc1cccc2c1ccc1-c3c4c(-c21)cccc4ccc3,0.9036444425582886
Fc1cnc2c(c1)c(N)ccc2,0.6919772028923035
Fc1cnc2c(c1)c1ccccc1cc2,0.7026850581169128
ICC[C@@H]1OC[C@H](O1)CO,0.5552939176559448
ICCc1ccc(cc1)OCc1ccccc1,0.6423589587211609
Fc1cnc2c(c1)cccc2,0.4559551179409027
Fc1cnc2c(c1)c1ncccc1cc2,0.6810181736946106
Fc1cnc2c(c1)ccc1c2cccc1,0.7461848258972168
ICCc1ccccc1,0.536819577217102
Ic1cc2cccnc2c(c1)C(=O)O,0.2728160321712494
Ic1ccc2c(c1)c(N)c1c(n2)cccc1,0.6188020706176758
Ic1cc(Cl)c2c(c1O)nccc2,0.5171576738357544
N#C/C(=C(/C#N)\N)/N,0.5935937166213989
N#C/C(=C/C(C(C(c1ccc(cc1)Br)C#N)c1ccccc1)C)/c1ccc(cc1)Br,0.2419944554567337
Ic1cccc(c1)[N+](=O)[O-],0.5203569531440735
Ic1ccc(cc1)N=N/C(=N/Nc1ccc(cc1)[N+](=O)[O-])/c1ccccc1,0.6198511123657227
Ic1ccc(cc1)[n+]1nc(nn1c1ccc(cc1)[N+](=O)[O-])c1ccccc1,0.5907918214797974
N#C/C(=C\C=C\c1ccccc1)/c1ccc(cc1)Cl,0.4147716462612152
N#C/C(=C\C=C\c1ccccc1[N+](=O)[O-])/c1ccc(cc1)Br,0.5430608987808228
N#C/C(=C\C=C\c1ccccc1[N+](=O)[O-])/c1ccc(cc1)C,0.3918330669403076
N#C/C(=C\C(C(C(c1ccc(c(c1)Cl)Cl)C#N)c1ccccc1)C)/c1ccc(c(c1)Cl)Cl,0.4255314469337464
N#C/C(=C\C(C(C(c1ccc(cc1)F)C#N)c1ccccc1)C)/c1ccc(cc1)F,0.3171858191490173
N#C/C(=C\c1ccco1)/C(=O)OC,0.4221969544887543
N#CC(/N=N/C(C#N)(C)C)(C)C,0.5813585519790649
N#CC(=C(C#N)C#N)C#N,0.30762431025505066
N#C/C(=C\C=C\c1ccccc1)/c1ccc(cc1)F,0.4732888340950012
N#C/C=C/C#N,0.4066053032875061
N#C/C(=C\c1ccccc1Br)/C(=O)OC,0.4640916883945465
N#C/C(=N\OC(=O)OC(C)(C)C)/c1ccccc1,0.3604386150836945
N#C/C=C\C#N,0.35434824228286743
N#CC(=Cc1ccccc1Cl)C#N,0.4621396660804749
N#CC(=C1C=C(/C=C/c2ccc(cc2)N(C)C)OC(=C1)C)C#N,0.327933132648468
N#CC(=Cc1ccc(o1)[N+](=O)[O-])C#N,0.6387614011764526
N#CC(C(C#N)(C)C)(C)C,0.3169264793395996
N#CC(N=NC(C#N)(C)C)(C)C,0.5596995949745178
N#CC(C(c1ccc(cc1)Cl)C(C)C)c1cccc(c1)Oc1ccccc1,0.21111717820167544
N#CC(C(=O)c1ccc(cc1S(=O)(=O)C)C(F)(F)F)C(=O)C1CC1,0.42606276273727417
N#CC(O)(C)C,0.3279832005500793
N#CC(C(C(C)C)Nc1ccc(cc1Cl)C(F)(F)F)c1cccc(c1)Oc1ccccc1,0.26113566756248474
N#CC(c1ccc(cc1)Cl)(Cn1cncn1)CC(=O)O,0.1746416687965393
N#CC(c1cccc(c1)Oc1ccccc1)O,0.5544967651367188
N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)(C)C,0.3736948966979981
N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C(c1ccc(cc1)Cl)C(C)C,0.1915801614522934
N#CC(c1ccccc1)(Cn1cncn1)CCc1ccc(cc1)Cl,0.25411540269851685
N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)[C@@H](C(C)C)Nc1ccc(cc1Cl)C(F)(F)F,0.2032136172056198
N#CC1(O)CCCCC1,0.4036670625209808
N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)/C=C\C(=O)O,0.2849292159080505
N#CC1(OC1(C(=O)N)c1cccc2c1OC(O2)(F)F)C(=O)O,0.3858764171600342
N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)C=C(Cl)Cl,0.16388607025146484
N#CC1=C(SCCS1)C#N,0.22316722571849826
N#CC1=Cc2c3c1cccc3ccc2,0.7851530313491821
N#CC1=C(C(=O)NC1=O)c1cccc2c1OC(O2)(F)F,0.2859763503074646
N#CCCC(=O)/C=C/c1ccc(cc1)C(=O)O,0.20064640045166016
N#CC1C(=O)NC(=O)C1c1cccc2c1OC(O2)(F)F,0.2935042977333069
N#CCCC#N,0.16864094138145447
N#CCCCCC#N,0.2953616976737976
N#CCCC(=O)CCc1ccc(cc1)C(=O)O,0.17407996952533722
N#CCCNCCC#N,0.3586041033267975
N#CCc1ccc(cc1)Cl,0.2434951364994049
N#CCC[C@H](C#N)C,0.2054908573627472
N#CCNC(=O)c1cnccc1C(F)(F)F,0.2863468825817108
N#CCCN(c1ccc(cc1)N=Nc1ccc2c(c1)scn2)C,0.5911849737167358
N#CCc1ccccc1[N+](=O)[O-],0.6146818995475769
N#CCC[C@](C#N)(CBr)Br,0.420490562915802
N#CCCN(c1ccc(cc1)N=Nc1c(Cl)cc(cc1Cl)[N+](=O)[O-])CC,0.4486207365989685
N#CCCN(c1cc(NC(=O)C)c(cc1OC)n1nc2c(n1)c(Br)cc(c2Cl)N)CC,0.590324342250824
N#CCc1ccccc1,0.3527693152427673
N#CSc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],0.673603892326355
N#CN=S(=O)(C(c1ccc(nc1)C(F)(F)F)C)C,0.4900128245353699
N#CSCSC#N,0.06597124040126799
N#CCc1cn(c2c1cccc2)N=O,0.6622626185417175
N#C[Se]Cc1ccccc1,0.4493240416049957
N#C[C@H](c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)(C)C,0.3439424633979797
N#C[C@H](c1cccc(c1)Oc1ccccc1)OC(=O)[C@@H]1[C@@H](C1(C)C)/C=C\C(=O)OC(C(F)(F)F)C(F)(F)F,0.26848044991493225
N#C[C@H](c1cccc(c1)Oc1ccccc1)OC(=O)[C@@H]1[C@@H](C1(C)C)/C=C(/C(F)(F)F)\Cl,0.3724491596221924
N#C[C@H](c1cccc(c1)Oc1ccccc1)OC(=O)[C@@H]1[C@H](C1(C)C)C=C(Cl)Cl,0.2808794677257538
N#Cc1c(Cl)c(C#N)c(c(c1Cl)Cl)Cl,0.3545777201652527
N#C[C@H](c1cccc(c1)Oc1ccccc1)OC(=O)[C@H](c1ccc(cc1)Cl)C(C)C,0.1947980672121048
N#Cc1c(Cl)cccc1Cl,0.4216133654117584
N#Cc1c[nH]cc1c1cccc2c1OC(O2)(F)F,0.4735259413719177
N#Cc1cc(Br)c(c(c1)Br)O,0.4863948822021485
N#Cc1cc(C)c(c(c1)C(=O)NC)NC(=O)c1cc(nn1c1ncccc1Cl)Br,0.2469084709882736
N#Cc1cc(c2ccncc2)c(nc1O)C,0.24460577964782715
N#Cc1cc(I)c(c(c1)[N+](=O)[O-])O,0.5647616386413574
N#Cc1cc(C)c2c(c1)c(=O)n1c(n2)c(Cl)ccc1,0.43776407837867737
N#Cc1cc(ccc1N)[N+](=O)[O-],0.6396246552467346
N#Cc1cc(c2ccncc2)c([nH]c1=O)C,0.4655527472496033
N#Cc1ccc(cc1)C(=O)O,0.4204689562320709
N#Cc1ccc(cc1)/C=C/c1ccc(cc1)[N+](=O)[O-],0.562691330909729
N#Cc1ccc(cc1)/C=C/c1ccc(cc1)N,0.5479294061660767
N#Cc1ccc(cc1)C1(C)OC1,0.6581908464431763
N#Cc1ccc(cc1)C(=O)ON(C(=O)c1ccccc1)OCc1ccccc1,0.5677234530448914
N#Cc1ccc(cc1)CC(=O)c1cccc(c1)C(F)(F)F,0.480911910533905
N#Cc1ccc(cc1)[N+](=O)[O-],0.7576029896736145
N#Cc1ccc(cc1)CC(=NNC(=O)Nc1ccc(cc1)OC(F)(F)F)c1cccc(c1)C(F)(F)F,0.4547714591026306
N#Cc1ccc(cc1)C,0.5739426016807556
N#Cc1ccc(cc1)[C@]1(C)OC1,0.6760298013687134
N#Cc1ccc2c(c1)n(C)c(n2)N,0.6569045782089233
N#Cc1ccc(cc1)C1(O)N(C(=O)NN=C1c1cccc(c1)C(F)(F)F)c1ccc(cc1)OC(F)(F)C,0.2797796130180359
N#Cc1ccc2c(c1)nc([nH]2)N,0.6867939829826355
N#Cc1ccc(cc1)C[C@]12C[C@@H](CN2C(=O)N(C1=O)c1cc(Cl)cc(c1)Cl)N=[N+]=[N-],0.4390883445739746
N#Cc1cccc(c1)/C=C/c1ccc(cc1)[N+](=O)[O-],0.605334460735321
N#Cc1cccc(c1)C#N,0.3825554847717285
N#Cc1ccc2c(c1)nc(n2C)N,0.6454401612281799
N#Cc1cccc(c1)C,0.3629207015037537
N#Cc1cccc2c1cccc2[N+](=O)[O-],0.8394373655319214
N#Cc1cccc2c1nccc2,0.5511294603347778
N#Cc1ccccc1,0.4864903092384338
N#Cc1ccccc1C#N,0.4621595442295074
N#Cc1cccc(c1)/C=C/c1ccc(cc1)N,0.5457425713539124
N#Cc1cccc(c1)[N+](=O)[O-],0.6346849203109741
N#Cc1ccccc1C,0.542373776435852
N#Cc1ccccc1[N+](=O)[O-],0.6617560982704163
N#Cc1ccccc1Oc1ncnc(c1)Oc1ccccc1/C(=C/C(=O)C)/C(=O)O,0.1739673614501953
N#Cc1nn(c(c1C(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F,0.4180231094360352
N#C[C@@H]1COCCN1[C@H]1C[C@@H](O[C@H]([C@H]1O)C)O[C@H]1C[C@@](O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)c(OC)ccc2)C(=O)CO,0.4585563540458679
N#Cc1ccccc1Oc1ncnc(c1)Oc1ccccc1C(=O)O,0.15931831300258634
N#Cc1nn(c(c1S(=O)(=O)O)N)c1c(Cl)cc(cc1Cl)C(F)(F)F,0.41298770904541016
N#Cc1nn(c(c1S(=O)C(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F,0.5029747486114502
N#N=NCC(C(=O)O)NC(=O)OC(C)(C)C,0.44606876373291016
N#N=NC(c1ccccc1)c1ccccc1,0.8269251585006714
N#Cc1sc2=c(sc1C#N)c(=O)c1c(c2=O)cccc1,0.5324511528015137
N#Cc1nn(c(c1S(=O)(=O)C(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F,0.4119807779788971
N#N=NCC(C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C,0.4532574713230133
N#Cc1nn(c(c1SC(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F,0.2449437826871872
N#N=NCC(C(C(C(C(=O)O)O)O)O)O,0.4166072905063629
N#N=NCC(C(C(C(C=O)O)O)O)O,0.5210101008415222
N#N=NCC(C(C(C(CO)O)O)O)O,0.5673133730888367
N#N=NCC(Cn1cnc2c1nc(N)nc2N)O,0.5951492786407471
N#N=NCC(Cn1cnc2c1nc(N)nc2Cl)O,0.5093328356742859
N#N=NCC1OC(O)C(C(C1O)O)O,0.5134803652763367
N#N=NCC(Cn1cnc2c1ncnc2SC)O,0.4112886488437653
N#N=NCC(Cn1cnc2c1ncnc2N)O,0.6183898448944092
N#N=Nc1ccc(c(c1)[N+](=O)[O-])F,0.7921606302261353
N#N=NCC(Cn1cnc2c1ncnc2Cl)O,0.4758301377296448
N#N=NCc1ccccc1,0.7641502618789673
N#N=NCCC(c1ccccc1)c1ccccc1,0.6011859178543091
N#N=NCCC(C(=O)O)N,0.44279319047927856
N#N=Nc1ccc(cc1)Nc1c2ccccc2nc2c1cccc2,0.9484626650810242
N#N=Nc1ccc2c(c1)nc1c(c2Nc2ccc(cc2)NS(=O)(=O)C)cccc1,0.8370131254196167
N#N=Nc1ccc2c(c1)nc1c(c2Nc2ccc(cc2)NS(=O)(=O)C)ccc(c1)N=N#N,0.8919695615768433
N#N=Nc1ccc2c(c1)c(Nc1ccc(cc1OC)NS(=O)(=O)C)c1c(n2)cccc1,0.7400459051132202
N#N=Nc1ccc2c(c1)nc1c(c2Nc2ccc(cc2)C(=O)O)cccc1,0.6548517942428589
N#N=Nc1ccc2c(c1)c(Nc1ccc(cc1)NS(=O)(=O)C)c1c(n2)cccc1,0.784695029258728
N#N=Nc1ccc2c(c1)c(Nc1ccc(cc1)NS(=O)(=O)C)c1c(n2)cc(cc1)N=N#N,0.8600168228149414
N#N=Nc1ccc2c(c1)nc1c(c2Nc2ccc(cc2OC)NS(=O)(=O)C)cccc1,0.7906830906867981
N#N=Nc1nc2c([nH]1)cccc2,0.7361903190612793
N#N=Nc1nc2c(n1C)c(C)cc1c2cccn1,0.861564040184021
N#N=Nc1nc2c(n1C)cc(cn2)c1ccccc1,0.6055373549461365
N#N=Nc1ccc2c(c1)nc1c(c2Nc2ccc(cc2OC)NS(=O)(=O)C)cccc1C,0.8160667419433594
N#N=Nc1nc2c(n1C)c1cccnc1cc2,0.7968316674232483
N#[N+]c1nc[nH]c1C(=O)N,0.5281823873519897
N#[N+]c1ccc(cc1)[N+](=O)[O-],0.8964816331863403
N#N=Nc1nc2c(n1C)cccc2,0.773975133895874
N#N=Nc1nc2c(n1C)c1ccccc1cc2,0.8542784452438354
N#N=Nc1nc2c(n1C)ccc1c2cccc1,0.8963977694511414
N/C(=N\OCC1CC1)/c1c(F)c(F)ccc1C(F)(F)F,0.5764392614364624
N#[N+]c1cccc2c1C(=O)c1c(C2=O)cccc1.Cl,0.5860201120376587
N#[N+]c1cccc2c1C(=O)c1c(C2=O)cccc1,0.64112389087677
N/N=C/1\N=NC=C2[C@H]1C=CC=C2,0.8128353357315063
N/N=C/1\N=NC=C2[C@@H]1C=CC=C2,0.7280346155166626
N/C(=N\OS(=O)(=O)O)/c1ccccc1,0.5190476775169373
N/N=c/1\sc2c(n1C)cccc2.Cl,0.5525674223899841
N/N=C/1\N=NC=C2[C@@H]1C=CC=C2.Cl,0.6453934907913208
N1CC1,0.4998672902584076
N1C(=O)C(=N#N)C=NC1=O,0.4014116823673248
N1C2C1c1cscc1-c1c2csc1,0.7619022130966187
N1CCc2c(C1)cccc2,0.5585845112800598
N1CCNCC1,0.5038908123970032
N1[C@@H]([C@H]1c1ccccc1)c1ccccc1,0.5406662821769714
N1[C@@H]2[C@H]1c1cscc1-c1c2csc1,0.9335861206054688
N1CCN(CC1)c1ccccc1,0.6355732679367065
N/N=c/1\sc2c(n1C)cccc2,0.5749260783195496
N=C(Nc1ccccc1)Nc1ccccc1,0.46807661652565
N1[C@H]([C@H]1c1ccccc1)c1ccccc1,0.525759756565094
N=C1CCC(=N)c2c1c(O)c1c(c2O)cccc1,0.4333952963352203
N=C1C=CC(=C(c2ccc(cc2)N)c2ccc(cc2)N)C=C1,0.5772606134414673
N=C(NC(=N)N)NCCc1ccccc1,0.48139303922653204
N1[C@@H]2[C@H]1c1cccc3c1-c1c2cccc1[C@H]1[C@@H]3N1,0.7008148431777954
N1C2C1c1cccc3c1-c1c2cccc1C1C3N1,0.6027339100837708
N=c1nc[nH][nH]1,0.4924314618110657
NC(=N)C(/N=N/C(C(=N)N)(C)C)(C)C.Cl.Cl,0.40063729882240295
NC(=N)N,0.40244698524475103
NC(=N)NC(=O)c1nc(Cl)c(nc1N)N,0.3219723701477051
NC(=N)N/N=C/1\C=C/C(=N\NC(=S)N)/C=C1,0.5163838267326355
N=C1C=C/C(=C(/c2ccc(c(c2)C)N)\c2ccc(cc2)N)/C=C1,0.49549999833107
NC(=N)NC(=O)c1nc(Cl)c(nc1N)N.Cl,0.3270631432533264
NC(=N)C(N=NC(C(=N)N)(C)C)(C)C,0.4307868480682373
NC(=N)NC#N,0.3860060274600983
NC(=N)NC(=O)NS(=O)(=O)c1ncccc1C(=O)N(C)C,0.496466726064682
NC(=N)NC(=O)NS(=O)(=O)c1ccccc1CCC(F)(F)F,0.3977249264717102
NC(=N)c1ccc(cc1)OCCCCCOc1ccc(cc1)C(=N)N,0.22899922728538516
NC(=N)S(=O)O,0.4102844595909119
NC(=N)NS(=O)(=O)c1ccc(cc1)N,0.5750433206558228
NC(=N)c1c(F)c(F)ccc1C(F)(F)F,0.4676716327667236
NC(=N)NN=C(/C=C\c1ccc(o1)[N+](=O)[O-])/C=C\c1ccc(o1)[N+](=O)[O-],0.6032865643501282
NC(=N)NNc1ccc(cc1)N=NC(=S)N,0.5090594887733461
NC(=N)c1ccc(cc1)c1cc2c([nH]1)cc(cc2)C(=N)N,0.5649701952934265
NC(=N)c1ccc(cc1)OCCCCCOc1ccc(cc1)C(=N)N.OCCS(=O)(=O)O.OCCS(=O)(=O)O,0.2306831181049347
NC(=N)c1ccc2c(c1)[nH]c(c2)C(=N)N,0.5794986486434937
NC(=N)c1ccccc1,0.5151103734970093
NC(=O)/C(=C\c1ccc(o1)[N+](=O)[O-])/c1ccco1,0.4541491568088532
NC(=N)c1ccc2c(c1)[nH]c(c2N)C(=N)N,0.5815469026565552
NC(=NC(=N)N)NCCc1ccccc1,0.6101139187812805
NC(=O)C(=O)N(c1c(C)cccc1C)Cn1cccn1,0.499798595905304
NC(=O)/N=N/C(=O)N,0.4644891619682312
NC(=N)c1ccc(cc1)c1cc2c(s1)cc(cc2)C(=N)N,0.5894860029220581
NC(=O)/C=C/c1ccc(o1)[N+](=O)[O-],0.5797456502914429
NC(=O)C(c1cccc2c1OC(O2)(F)F)O,0.4289257526397705
NC(=O)CBr,0.5582729578018188
NC(=O)C12OC2C(NC1=O)(O)c1ccccc1,0.5428579449653625
NC(=O)C=C,0.38820236921310425
NC(=O)CCCCC(=O)N,0.470470517873764
NC(=O)CI,0.4951225817203522
NC(=O)C1CO1,0.4272236824035645
NC(=O)CN1C[C@@H](CC1=O)O,0.4676923155784607
NC(=O)C(c1cccc(c1)Oc1ccccc1)OC(=O)C(c1ccc(cc1)Cl)C(C)C,0.2547398507595062
NC(=O)C[C@H]1CO1,0.26975655555725103
NC(=O)C(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)/C=C(/C(F)(F)F)\Cl,0.4172101020812988
NC(=O)CNC(=O)C=N#N,0.6344825625419617
NC(=O)N,0.4315035343170166
NC(=O)N(c1ccccc1)c1ccccc1,0.5283987522125244
NC(=O)N(c1ccccc1)c1ccc(cc1)C(=O)O,0.33961352705955505
NC(=O)N/N=C/C(=O)O,0.4603710770606994
NC(=O)N/N=C/c1ccc(o1)[N+](=O)[O-],0.60167396068573
NC(=O)NCC=C,0.4300385117530823
NC(=O)NNC(=O)N,0.6529563069343567
NC(=O)N=NC(=O)N,0.5649735331535339
NC(=O)N=S(=O)(C(c1ccc(nc1)C(F)(F)F)C)C,0.4792328476905823
NC(=O)NCC(=O)O,0.4275000989437103
NC(=O)Nc1cc(Cl)c(c(c1F)Cl)F,0.5096787214279175
NC(=O)NO,0.4713253378868103
NC(=O)Nc1ccc(cc1)Br,0.4793663024902344
NC(=O)Nc1cc(ccc1O)[C@@H](CNC(C)(C)C)O.Cl,0.2628667950630188
NC(=O)Nc1cccc2c1nccc2,0.7065491676330566
NC(=O)Nc1ccc(cc1)C,0.46552973985672
NC(=O)Nc1cc(ccc1O)C(CNC(C)(C)C)O,0.2563895285129547
NC(=O)Nc1ccc(cc1F)Oc1ccc(cc1Cl)C(F)(F)F,0.4127653539180756
NC(=O)OC1CO1,0.5110903978347778
NC(=O)Nc1nc(C)nc(n1)C(=O)C,0.3547404706478119
NC(=O)c1c(Cl)ccc(c1Cl)O,0.41649284958839417
NC(=O)Nc1nc2c([nH]1)cccc2,0.6641184091567993
NC(=O)O[C@H]1CO1,0.4271681308746338
NC(=O)[C@H]1CO1,0.4575668871402741
NC(=O)OCC1C(NC(=O)/C(=N\OCC(=O)O)/c2csc(n2)N)C(=O)N1S(=O)(=O)O,0.489253044128418
NC(=O)OCc1ncc(n1C)[N+](=O)[O-],0.5646430253982544
NC(=O)c1c(Cl)cccc1Cl,0.4353109300136566
NC(=O)c1cccc(c1)[N+](=O)[O-],0.457895576953888
NC(=O)c1ccc(cc1)[N+](=O)[O-],0.5146436095237732
NC(=O)c1c(F)c(F)ccc1C(F)(F)F,0.425435870885849
NC(=O)c1ccccc1,0.41400593519210815
NC(=O)c1ccccc1C(=O)N,0.5181357264518738
NC(=O)c1ccccc1O,0.390746533870697
NC(=O)c1ccccc1C(F)(F)F,0.4223254323005676
NC(=O)c1cnccc1C(F)(F)F,0.4194253087043762
NC(=O)c1ccccc1C,0.4776275753974914
NC(=O)c1cccnc1,0.3408167362213135
NC(=O)c1cnccn1,0.3564095497131348
NC(=S)N,0.4684862494468689
NC(=O)c1cc(N2CC2)c(cc1[N+](=O)[O-])[N+](=O)[O-],0.6871697306632996
NC(=S(=O)=O)N,0.5654426217079163
NC(=S)NCC=C,0.4056020379066467
NC(=S)Nc1cccc2c1cccc2,0.6282569169998169
NC(=S)NNC(=S)N,0.6174015402793884
NC(=O)c1nn(c(c1S(=O)C(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F,0.4993484914302826
NC(=S)Nc1ccccc1,0.4932612478733063
NC(C(=O)NCC(=O)O)CS,0.25389713048934937
NC(=S)c1c(Cl)cccc1Cl,0.4243761897087097
NC(C(=O)O)CSC(=O)NCCCl,0.5554684400558472
NC(C(=O)O)CS/C(=C(/C(Cl)(Cl)Cl)\Cl)/Cl,0.2709479629993439
NC(C(=O)O)CN=N#N,0.5562809109687805
NC(C(=O)O)CS/C=C/Cl,0.5395503640174866
NC(C(=O)O)COC(=O)C=N#N,0.5412004590034485
NC(C(=O)O)CCS/C(=C/Cl)/Cl,0.4622070789337158
NC(C(=O)O)CCCCNCC(C(=O)O)N,0.391602635383606
NC(C(=O)O)C(C)C,0.2480410784482956
NC(C(=O)O)CSC(C(C(F)F)(F)F)(F)F,0.4079726338386536
NC(C(=O)O)CSC(C(Br)Br)(F)F,0.4086526930332184
NC(C(=O)O)CSC(C(Br)Cl)(F)F,0.4713262617588043
NC(C(=O)O)CSC(C(Cl)Cl)(F)F,0.4578299522399902
NC(C(=O)O)CSCCCl,0.5071035027503967
NC(C(=O)O)CSC(C(Cl)F)(F)F,0.5468133687973022
NC(C(=O)O)Cc1ccccc1,0.30512735247612
NC(C(S)(C)C)C(=O)O,0.2551785707473755
NC(C(=O)O)CSc1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl,0.23551949858665466
NC(C(=O)OC(C)(C)C)CN=N#N,0.5344349145889282
NC1=C(Cl)C(=O)c2c(C1=O)cccc2,0.5780512094497681
NC(C(=O)O)Cc1ncn[nH]1,0.2811212539672852
NC1=NN=C([N]1)S(=O)(=O)Nc1c(Cl)ccc(c1Cl)C,0.5701485276222229
NC(C(=O)O)CSC(C(F)F)(F)F,0.5219565629959106
NC1=N[C@@H](CS1)C(=O)O,0.3587833046913147
NC1C=CC(=C(c2ccc(c(c2)C)N)c2ccc(cc2)N)C=C1,0.5515077114105225
NC1CCCCC1.OCCCN[P@](=O)(N(CCCl)CCCl)O,0.5646898746490479
NC1CC(C)(C)N(C(C1)(C)C)O,0.2887544333934784
NC1CCCCC1,0.32995373010635376
NC1CCCC(C1)N,0.32058894634246826
NC1=C[C@H]2[C@@H](C(=N1)C)Nc1c2cccc1,0.6497810482978821
NC1CCN(C1)c1nc2n(cc(c(=O)c2cc1F)C(=O)O)c1ccc(cc1F)F,0.2708786129951477
NC1c2ccccc2-c2c1cccc2,0.7277563214302063
NCC(=O)NCc1nc(nn1c1ccc(cc1C(=O)c1ccccc1Cl)Cl)C(=O)N(C)C,0.4088761806488037
NCC(=O)NCC(=O)NCC(=O)NCC(=O)O,0.44389352202415466
NC1CC(OC(C1O)C)OC1CC(O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)c(O)ccc2)C(=O)C,0.5201568603515625
NCC(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)O)CC(C)C)Cc1ccccc1,0.26922211050987244
NCC(=O)O,0.33227238059043884
NCC(=O)NCC(=O)NC(C(=O)NC(C(=O)O)CC(C)C)Cc1ccccc1,0.2492891550064087
NCC(=O)Nc1ccccc1.Cl,0.5577884912490845
NCC(=O)Nc1ccccc1,0.5329362154006958
NCC(=O)NCc1nc(nn1c1ccc(cc1C(=O)c1ccccc1Cl)Cl)C(=O)N(C)C.Cl.O.O,0.44711509346961975
NCC(=O)O.Cl,0.2931606471538544
NCCC#N,0.3132882714271545
NCC(C)C,0.4082559049129486
NCCC(N)C,0.22012615203857425
NCC=C,0.5000565648078918
NCC1(C)CC(N)CC(C1)(C)C,0.38057321310043335
NCCCCC(C(=O)O)N,0.3664553165435791
NCCCCCCCCCCC(=O)O,0.17201058566570282
NCCCCC(C(=O)NC(C(=O)NC(C(=O)O)CCCCN)Cc1c[nH]c2c1cccc2)N,0.35671696066856384
NCCCCCCN,0.5686773061752319
NCCCN(CC)CC,0.44068288803100586
NCCCN1CCN(CC1)CCCN,0.488302081823349
NCCCN(C)C,0.4421042799949646
NCCCN,0.4836379885673523
NCCCNCCCN,0.579099178314209
NCCCNCCCCN(N(N=O)O)CCCN,0.7625686526298523
NCCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)O)N[C@H](C(=O)O)CCc1ccccc1,0.3581989705562592
NCC(C(=O)NC1CC(N)C(C(C1OC1CCC(C(C1O)NC)(C)O)O)OC1CC(CN)C(C(C1O)O)O)O,0.4456053674221039
NCCC[C@H](Nc1cc(OC)cc2c1nccc2)C,0.5053368210792542
NCCCl,0.5710723400115967
NCCN,0.6456281542778015
NCCNCC,0.4775882661342621
NCCNCCN,0.5653366446495056
NCCN1CCNCC1,0.5955160856246948
NCCNCCNCCNCCN,0.5711574554443359
NCCNC(=O)c1ccc(cn1)Cl,0.44733303785324097
NCCNCCNCCN,0.5693371891975403
NCCCS(=O)(=O)Nc1ccc(cc1)Nc1c2ccc(cc2nc2c1ccc(c2)N=N#N)N=N#N,0.8122076988220215
NCCCS(=O)(=O)Nc1ccc(cc1)Nc1c2cc(N=N#N)ccc2nc2c1ccc(c2)N=N#N,0.7715919017791748
NCCNCCO,0.4722065329551697
NCCNc1cccc2c1cccc2,0.78985995054245
NCCNCCNCCNCCNCCN,0.5532410740852356
NCCS(=O)(=O)O,0.3912571668624878
NCCO,0.559417724609375
NCC[C@H](N)C,0.2960036098957062
NCCN(c1c2ccccc2nc2c1ccc1c2cccc1)CCCl,0.941858410835266
NCCc1ccc(c(c1)O)O,0.4770161509513855
NCCc1c[nH]cn1,0.3571723997592926
NCCc1c[nH]c2c1cc(O)cc2,0.5103649497032166
NCCS,0.3937540054321289
NCCc1c[nH]c2c1cccc2,0.6404213905334473
NCN,0.4529160559177399
NCCc1c[nH]c2c1cccc2.Cl,0.6404213905334473
NCCc1cc(O)c(cc1O)O,0.5109807252883911
NC[C@H](N)C,0.399193286895752
NCP(=O)(O)O,0.5507552027702332
NC[C@]1(C)C[C@H](N)CC(C1)(C)C,0.3211405873298645
NC[C@@H]1CC[C@H](CC1)C(=O)c1ccc(cc1)CCC(=O)O,0.2904956340789795
NCc1ccc(cc1)CN,0.616709291934967
NCc1cccc(c1)CN,0.6406587958335876
NC[C@@H]1CC[C@H](CC1)C(=O)c1ccc(cc1)CCC(=O)O.Cl,0.2791895270347595
NN(C(=O)C)C(=O)C,0.458740383386612
NN(c1ccc(cc1)C)c1ccc(cc1)C,0.6370466947555542
NN(c1ccccc1)c1ccccc1,0.6665534973144531
NN(Cc1ccccc1)Cc1ccccc1,0.7159892320632935
NNC(=O)CNC(=O)C=N#N,0.66741544008255
NNC(=O)CN(c1ccc2c(c1)cccc2)C,0.7975432276725769
NNC(=O)c1ccncc1,0.6126214265823364
NN1C(=O)c2c(C1=O)cccc2,0.5869343876838684
NC[C@@H](C(=O)N[C@@H]1C[C@@H](N)[C@H]([C@@H]([C@H]1O[C@H]1OC[C@]([C@@H]([C@H]1O)NC)(C)O)O)O[C@H]1O[C@H](CN)[C@H]([C@@H]([C@H]1O)O)O)O,0.3964641094207764
NNC(=O)c1[nH]c2c(c1N)cccc2,0.6916851401329039
NNC(=O)N,0.556817352771759
NNc1ccc(cc1)C(=O)O,0.43619054555892944
NNCCO,0.4952193796634674
NNc1ccc(cc1)[N+](=O)[O-],0.6811602115631104
NNC(=O)CNc1ccc2c(c1)cccc2,0.6812881231307983
NNC(C(=O)O)(Cc1ccc(c(c1)O)O)C,0.4664536118507385
NN[C@](C(=O)O)(Cc1ccc(c(c1)O)O)C,0.498445451259613
NNc1ccccc1[N+](=O)[O-],0.6745127439498901
NNc1ccccc1,0.6872376203536987
NNc1ccccc1.Cl,0.6364864110946655
NNc1nc2c(s1)c1c(cc2)nc2c(c1O)cccc2,0.7636721730232239
NNc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],0.7965216636657715
NNS(=O)(=O)c1ccc(cc1)C,0.7528879046440125
NNc1n[nH]c(c2-c1c1ccccc1n2)n1nc(cc1C)C,0.6061176061630249
NNc1nnc(c2c1cccc2)NN,0.6519722938537598
NNc1nncc2c1cccn2,0.7818227410316467
NNc1nnc(c2c1c1ccccc1[nH]2)n1nc(cc1C)C.Cl,0.6893563270568848
NNc1nncc2c1ccnc2,0.8654463887214661
NNc1nncc2c1cccc2,0.7972995042800903
NNc1scc(n1)c1ccc(cc1)[N+](=O)[O-],0.907436192035675
NNc1scc(n1)c1ccc(cc1)N,0.641741931438446
NNc1nncc2c1cncc2,0.7260791659355164
NS(=O)(=O)c1ncn[nH]1,0.4760313928127289
NNc1nncc2c1nccc2,0.8635225296020508
NS(=O)(=O)c1cccc2c1nccc2,0.6895931959152222
N[C@@H](C(=O)O)Cc1ccccc1,0.2808874249458313
N[C@@H](C(=O)O)Cc1ccc(cc1)F,0.3337894678115845
N[C@@H](C(=O)O)CS,0.19602911174297333
N[C@@H]1CC[C@H](CC1)C[C@@H]1CC[C@H](CC1)N,0.421220600605011
N[C@@H]1CCC[C@H](C1)N,0.34187522530555725
N[C@@H](C(=O)OC(C)(C)C)CN=[N+]=[N-],0.3912690579891205
N[C@@H](c1ccccc1)C(=O)N[C@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C,0.2294338643550873
N[C@H](C(=O)NCC(=O)O)CS,0.3444334864616394
N[C@H](C(=O)O)CS/C(=C/Cl)/Cl,0.4982522130012512
N[C@H](C(=O)O)CS/C(=C(/C(Cl)(Cl)Cl)\Cl)/Cl,0.28907510638237
N[C@@H]1CC[C@H](CC1)N,0.4385763108730316
N[C@H](C(=O)O)CCCCNC[C@@H](C(=O)O)N,0.4370270371437073
N[C@H](C(=O)O)CS/C=C/Cl,0.5395503640174866
N[C@H](C(=O)O)CCC(=O)NNc1ccccc1,0.33834439516067505
N[C@@H]1C[C@H]1c1ccccc1,0.5700094699859619
N[C@H](C(=O)O)CSCCCl,0.4902564585208893
Nc1[nH]cc2-c(n1)ncn2,0.5671848058700562
Nc1[nH]c(=O)c2c(n1)[nH]nn2,0.4097599387168884
N[C@H](c1ccccc1)C(=O)N[C@@H]1C(=O)N2[C@H]1SC([C@@H]2C(=O)O)(C)C.O.O.O,0.2510599493980408
Nc1[nH]cnc2-c1nc(n2)c1ccc(cc1)[N+](=O)[O-],0.5416136384010315
N[C@H](C(=O)O)CSCc1ccccc1,0.3644605278968811
Nc1[nH]cnc2-c1ncn2,0.4258158802986145
N[C@@H]1C[C@@H](O[C@@H]([C@H]1O)C)O[C@@H]1C[C@@](O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)c(O)ccc2)C(=O)C,0.485901266336441
Nc1[nH]ccc2-c1c1ccccc1n2,0.5810275077819824
Nc1[nH]nc(n1)N,0.3592752516269684
Nc1c(C)cccc1N,0.4925945699214935
Nc1c(C)n(n(c1=O)c1ccccc1)C,0.533553957939148
Nc1c(C)cc(c(c1C)[N+](=O)[O-])N,0.6107583045959473
Nc1c(C)cccc1O,0.6031187772750854
Nc1c(cccc1[N+](=O)[O-])[N+](=O)[O-],0.7523711919784546
Nc1c2ccccc2cc2c1cccc2,0.8559778928756714
Nc1c2CCCCc2nc2c1cccc2,0.6610066890716553
Nc1c(Oc2ccccc2)cc(c2c1C(=O)c1ccccc1C2=O)O,0.5663578510284424
Nc1c2C(=O)c3ccccc3C(=O)c2c(cc1S(=O)(=O)O)NC1CCCCC1,0.5020840167999268
Nc1c2cc(C)ccc2nc2c1cc(C)cc2,0.7002719640731812
Nc1c2C(=O)c3ccccc3C(=O)c2c(cc1S(=O)(=O)O)Nc1cccc(c1)S(=O)(=O)CCOS(=O)(=O)O,0.5557948350906372
Nc1c2ccccc2nc2c1cccc2.Cl.O,0.8093266487121582
Nc1cc(C(=O)O)c(c(c1)S(=O)(=O)O)O,0.4501087665557861
Nc1cc(C(C)C)c(c(c1)[N+](=O)[O-])N,0.5774737596511841
Nc1cc(C)c(c(c1)[N+](=O)[O-])N,0.6268989443778992
Nc1c2ccccc2nc2c1cccc2,0.8153533935546875
Nc1cc(C)c2c(c1C)c1ccccc1[nH]2,0.7827962636947632
Nc1cc(Cl)c(cc1S(=O)(=O)O)C,0.35782092809677124
Nc1cc(Cl)c(c(c1)Cl)N,0.6197671890258789
Nc1cc(C)c(c(c1C)[N+](=O)[O-])N,0.5812453627586365
Nc1cc(Cl)c(c(c1)Cl)Cl,0.5792176127433777
Nc1cc(Cl)cc(c1)Cl,0.4520884454250336
Nc1cc(N)c(cc1/N=N/c1ccccc1)C,0.6098816990852356
Nc1cc(N)c(c(c1)[N+](=O)[O-])C,0.5818698406219482
Nc1cc(N)c(cc1/N=N/c1ccccc1C)C,0.5381059646606445
Nc1cc(N)c(c(c1)[N+](=O)[O-])c1ccccc1,0.6115821599960327
Nc1c(/N=N/c2ccc(cc2)c2ccc(cc2)/N=N/c2cc(c3c(c2N)cccc3)S(=O)(=O)O)cc(c2c1cccc2)S(=O)(=O)O,0.5865904688835144
Nc1cc(N)c(cc1N=Nc1ccc(cc1)S(=O)(=O)N)N=Nc1ccc(cc1)S(=O)(=O)N,0.552290678024292
Nc1cc(N)c(cc1N=Nc1ccc(cc1)S(=O)(=O)O)C,0.5124411582946777
Nc1cc(N)c(cc1N=Nc1ccccc1C)C,0.561722457408905
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
O1CCOCCOCCOCCOCCOCC1,0.36679169535636896
O1CCOCCOCCOCCOCCOCCOCC1,0.4705629348754883
O1CCOC2CCCCC2OCCOCCOC2C(OCC1)CCCC2,0.5105014443397522
O1COCOC1,0.2909398078918457
O1CCOCCOc2c(OCCOCC1)cccc2,0.5653682351112366
O1C[C@@H]1COc1cccc(c1)OC[C@@H]1OC1,0.6248288750648499
O1CCOC2CCCCC2OCCOCCOCCOC2C(OCC1)CCCC2,0.4775810241699219
O1C[C@@H]1COc1ccccc1,0.5683809518814087
O1C[C@@H]1COc1ccc(cc1)Cc1ccccc1,0.5927402377128601
O1C[C@@H]1Cc1ccccc1,0.6468470692634583
O1C[C@@H]1c1ccccc1,0.5271266698837279
O1C[C@@H]1[C@@H]1OC1,0.5877783298492432
O1C[C@H]1c1ccc(cc1)c1ccccc1,0.5347471833229065
O1Cc2c(C1)cccc2,0.5960322022438049
O1OC2c3c(C1c1c2cccc1)cccc3,0.7642295360565186
O=C(/C=C(/C1CC1)\O)CC(C(=O)O)CC(=O)O,0.35616281628608704
O1[C@@H]2[C@H]1c1cscc1-c1c2csc1,0.7149326205253601
O1CCO[C@@H]2CCCC[C@H]2OCCOCCO[C@H]2[C@H](OCC1)CCCC2,0.394770085811615
O=C(/C=C/c1ccc(o1)[N+](=O)[O-])N/N=C/c1ccc(o1)[N+](=O)[O-],0.5744911432266235
O=C(/C=C/c1ccc(o1)[N+](=O)[O-])NCC(C)(C)C,0.3866810202598572
O=C(C(=C)C)OCCCCCCOC(=O)C(=C)C,0.281068354845047
O=C(C(=C)C)OCCCCCOC(=O)C(=C)C,0.2892851829528809
O=C(C(=C)C)OCC(COC(=O)C(=C)C)(C)C,0.28736817836761475
O=C(/C=C/c1ccccc1)OC/C=C/c1ccccc1,0.4882608354091644
O=C(C(=C)C)OCCOC(=O)C(=C)C,0.4087837338447571
O=C(C(=C)C)OCCOCCOCCOC(=O)C(=C)C,0.4041058421134949
O=C(C(=C)C)OCCCCOC(=O)C(=C)C,0.31026870012283325
O=C(C(=C)C)OCCOCCOC(=O)C(=C)C,0.3120667040348053
O=C(C(=O)O)C(=O)O,0.3878956139087677
O=C(C(Br)(C)C)Nc1ccccc1,0.3725489974021912
O=C(C(Br)C)NC(C)(C)C,0.42028355598449707
O=C(C(Br)(C)C)NCc1ccccc1,0.39806798100471497
O=C(C(=O)c1ccccc1)c1ccccc1,0.5069575309753418
O=C(C(C)(C)C)C1C(=O)c2c(C1=O)cccc2,0.3824319243431091
O1CCOCCOC2CCCCC2OCCOCCOCCOCCOC2C(OCCOCC1)CCCC2,0.4755853116512298
O=C(C(Cl)(Cl)Cl)Nc1snc2c1cc(C)cc2,0.4930810034275055
O=C(C(C)C)Nc1snc2c1ccc(c2)Cl,0.35245999693870544
O=C(C(C)C)Nc1snc2c1cccc2,0.5007137060165405
O=C(C(C)C)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)C(C)C,0.4248804450035095
O=C(C(F)(F)F)C(F)(F)F,0.39759328961372375
O=C(C1(C)OC1)NCc1ccccc1,0.5285394191741943
O=C(C1(C)OC1)Nc1ccccc1,0.4606679379940033
O=C(C1(C)CCCCC1)Nc1ccc(c(c1Cl)Cl)O,0.3628946244716644
O=C(C(F)(F)F)Nc1scc(n1)c1ccc(o1)[N+](=O)[O-],0.3509039282798767
O=C(C(c1ccccc1)N)NC1C(=O)N2C1SC(C2C(=O)OCc1oc(=O)oc1C)(C)C,0.40328478813171387
O=C(C1=C(C)OCCS1)Nc1ccccc1,0.3970048129558563
O=C(C1C(C1(C)C)/C=C(/C(F)(F)F)\Cl)OCc1c(F)c(F)c(c(c1F)F)C,0.37156230211257935
O=C(C1C(=O)NC(=S)NC1=O)Nc1ccccc1,0.2933840751647949
O=C(C1=C(O)c2sccc2S(=O)(=O)N1C)Nc1ccccn1,0.4857790470123291
O=C(C1OC1)NCc1ccccc1,0.562621533870697
O=C(C1C(C1(C)C)/C=C(/C(F)(F)F)\Cl)OCc1cccc(c1C)c1ccccc1,0.4084816575050354
O=C(C1CCC2C(C1)O2)OCC1CCC2C(C1)O2,0.3324277997016907
O=C(C1OC1)Nc1ccccc1,0.5452470779418945
O=C(C1c2ccccc2Oc2c1cccc2)OCC[N+](C(C)C)(C(C)C)C,0.2880005240440369
O=C(C1CSC(C(=O)N1)C)NC(C(=O)N1CCCC1C(=O)N)Cc1c[nH]cn1,0.2787938416004181
O=C(C1OC1c1ccccc1)c1ccc(cc1)c1ccccc1,0.5386983156204224
O=C(C1c2ccccc2Oc2c1cccc2)OCC[N+](C(C)C)(C(C)C)C.Br,0.3281916081905365
O=C(C1OC1c1ccc(cc1)c1ccccc1)c1ccccc1,0.5019470453262329
O=C(C1OC1c1ccc(cc1)Oc1ccccc1)c1ccccc1,0.4994781911373138
O=C(COC(=O)C)NCCCOc1cccc(c1)CN1CCCCC1,0.3940364718437195
O=C(COC(=O)C)NCCCOc1cccc(c1)CN1CCCCC1.Cl,0.4475416243076325
O=C(C(Cc1c[nH]cn1)NC(=O)C(CS(=O)(=O)C(C)(C)C)Cc1ccccc1)NC(C(C(C1CC1)O)O)CC1CCCCC1,0.3278708457946777
O=C(CC(C)(C)C)OC1=C(C(=O)OC21CCCC2)c1c(C)cc(cc1C)C,0.17870905995368958
O=C(Cc1ccccc1)OCc1ccccc1,0.2984415888786316
O=C(Cc1ccccc1)N[C@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C,0.20703819394111636
O=C(N(C)C)Nc1ccc(c(c1)Cl)C,0.4573134481906891
O=C(Cn1c(=O)sc2c1cccc2)OCc1ccccc1,0.4680213034152985
O=C(Cn1ccnc1[N+](=O)[O-])NCc1ccccc1,0.5058093070983887
O=C(N(C)C)Nc1ccc(cc1)C(C)C,0.4960640072822571
O=C(N(C)C)Nc1ccc(c(c1)Cl)Cl,0.4787774682044983
O=C(Cc1cnc(nc1N)C)N/C(=C(/SC(=O)c1ccccc1)\CCOC(=O)c1ccccc1)/C.Cl,0.2124324142932892
O=C(N(c1c(C)cccc1C)Cn1cccn1)CS(=O)(=O)O,0.19885611534118647
O=C(N(c1ccccc1)C)c1csc(c1)[N+](=O)[O-],0.5684763789176941
O=C(N(OC(=O)c1ccccc1)OCc1ccccc1)c1ccccc1,0.5235847234725952
O=C(N(C)C)Nc1cccc(c1)C(F)(F)F,0.4943609833717346
O=C(N/C(=N\OCC1CC1)/c1c(F)c(F)ccc1C(F)(F)F)CC(=O)O,0.2794818878173828
O=C(N1CCCCC1)/C=C/C=C/c1ccc2c(c1)OCO2,0.5391648411750793
O=C(N1CC(=O)N2[C@H](C1)c1ccccc1CC2)C1CCCCC1,0.5683681964874268
O=C(NC(=O)c1c(F)cccc1F)Nc1cc(Cl)c(c(c1F)Cl)F,0.29205334186553955
O=C(NC(=O)c1c(F)cccc1F)Nc1cc(Cl)c(c(c1)Cl)Oc1ncc(cc1Cl)C(F)(F)F,0.17183847725391388
O=C(N/C(=N/OCC1CC1)/c1c(F)c(F)ccc1C(F)(F)F)Cc1ccccc1,0.3014989197254181
O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(cc1)Cl,0.256509006023407
O=C(NC(=O)c1c(F)cccc1F)Nc1cc(Cl)c(cc1Cl)OC(C(C(F)(F)F)F)(F)F,0.4481171667575836
O=C(N=C(c1c(F)c(F)ccc1C(F)(F)F)NOCC1CC1)Cc1ccccc1,0.5524401068687439
O=C(NC(C(=O)O)C)COc1ccc(cc1Cl)Cl,0.16792340576648712
O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(cc1F)Oc1ccc(cc1Cl)C(F)(F)F,0.2925773561000824
O=C(NC(C(=O)O)CC(=O)O)COc1ccc(cc1Cl)Cl,0.13797149062156674
O=C(NC(=O)c1ccccc1Cl)Nc1ccc(cc1)OC(F)(F)F,0.2948054671287537
O=C(NC(C(=O)NCC(=O)O)CSC(=O)NC(C)(C)C)CCC(C(=O)O)N,0.2584826946258545
O=C(NC(C(=O)O)Cc1c[nH]c2c1cccc2)COc1cc(Cl)c(cc1Cl)Cl,0.19739004969596866
O=C(NC(C(=O)O)Cc1c[nH]c2c1cccc2)COc1ccc(cc1Cl)Cl,0.18356826901435846
O=C(NC(C)(C)C)/C=C/c1ccc(o1)[N+](=O)[O-],0.4268812537193297
O=C(NC(c1nc2c(s1)cccc2)S)NC(c1nc2c(s1)cccc2)S,0.5806232690811157
O=C(NCCC(CC(CNC(=O)OCCOC(=O)C(=C)C)(C)C)C)OCCOC(=O)C(=C)C,0.33251798152923584
O=C(NCc1ccccc1)CCNNC(=O)c1ccncc1,0.4106947481632233
O=C(NNC(=O)OCCOC(=O)C(=C)C)OCCOC(=O)C(=C)C,0.3592069447040558
O=C(NS(=O)(=O)c1ccc(cc1)C)NN1CCCCCC1,0.3942195475101471
O=C(NS(=O)(=O)c1ccc(cc1)C)Nc1ncc(s1)[N+](=O)[O-],0.4154239594936371
O=C(NS(=O)(=O)c1ccc(cc1)C(=O)C)NC1CCCCC1,0.4146719574928284
O=C(NS(=O)(=O)c1ncccc1C(=O)N(C)C)NC(=O)N,0.4645729959011078
O=C(N[C@H](C(=O)NCC(=O)O)CSC(=C(Cl)Cl)Cl)CC[C@@H](C(=O)O)N,0.2866654396057129
O=C(N[C@@H](C(=O)NCC(=O)O)CSc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])CC[C@H](C(=O)O)N,0.4098174571990967
O=C(NS(=O)(=O)c1ccccc1Cl)NC(=N)/N=C(/O)\N,0.4264259934425354
O=C(N[C@H](C(=O)NCC(=O)O)CS/C(=C(\C(=C(Cl)Cl)Cl)/Cl)/Cl)CC[C@@H](C(=O)O)N,0.2598884105682373
O=C(N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)COc1ccccc1.[K+],0.15194261074066162
O=C(Nc1c(C)cccc1C)CN1CCCC1=O,0.4297308921813965
O=C(Nc1cc(Cl)cc(c1)Cl)CCC(=O)O,0.15195105969905853
O=C(N[C@H](C(=O)O)C)COc1ccc(cc1Cl)Cl,0.22023439407348636
O=C(N[C@H](C(=O)O)CC(=O)O)COc1ccc(cc1Cl)Cl,0.188725620508194
O=C(Nc1ccc(c(c1)Cl)Cl)CCC(=O)O,0.18942949175834656
O=C(Nc1cc(Cl)c(c(c1)Cl)Cl)CCC(=O)O,0.21340790390968326
O=C(Nc1ccc(cc1)O)CC(=O)C,0.39187997579574585
O=C(Nc1ccc(cc1)Cl)CCC(=O)O,0.3050382733345032
O=C(Nc1ccc(cc1)C)CC(=O)C,0.3656620681285858
O=C(Nc1ccc(c(c1)Cl)Cl)Nc1ccc(cc1)Cl,0.4875767827033997
O=C(Nc1ccc(cc1)[N+](=O)[O-])CCC(C(=O)O)N,0.3713567852973938
O=C(Nc1ccc(cc1)Cl)OCC12OOC2(C)c2c(O1)cccc2,0.3647665083408356
O=C(Nc1ccc(cc1)[N+](=O)[O-])CC[C@@H](C(=O)O)N,0.3569213151931763
O=C(Nc1ccccc1)CC(=O)C,0.3663289248943329
O=C(Nc1ccccc1)Nc1ccccc1,0.4948960244655609
O=C(Nc1ccccc1)N[C@@H]1CCCC[C@H]1C,0.2649897038936615
O=C(Nc1ccccc1C)CC(=O)C,0.4373838901519776
O=C(OC(C)(C)C)CN=N#N,0.3310040533542633
O=C(Nc1snc2c1cccc2)Nc1ccccc1,0.6301242709159851
O=C(Nc1n(C)nc(c1C(=O)c1ccccc1F)C)CNCCCN1CCCC[C@H]1C,0.18828147649765012
O=C(OC(C)(C)C)/C=C/c1ccc(o1)[N+](=O)[O-],0.37762007117271423
O=C(OC(C)(C)C)OC(=O)OC(C)(C)C,0.4758334755897522
O=C(OC(C)(C)C)N/N=C/c1c[n+]([O-])c2c([n+]1[O-])cccc2,0.5278984308242798
O=C(OC(C)(C)C)N/N=C/C1=CN(O)c2c(N1O)cccc2,0.4821785986423493
O=C(OC(C)(C)C)Sc1nc(C)cc(n1)C,0.2746433317661285
O=C(O[C@@H]1C[C@@](O)(C[C@@H]([C@H]1O)O)C(=O)O)/C=C\c1ccc(c(c1)O)O,0.4245321750640869
O=C([C@@H]1OC1(C(=O)N)C(=O)N)c1ccccc1,0.5464527606964111
O=C(O[C@@H]1C[C@@](O)(C[C@H]([C@H]1O)O)C(=O)O)/C=C/c1ccc(c(c1)O)O,0.3379605710506439
O=C(OC[C@H]1CO1)CCCCCC(C)(C)C,0.14184324443340302
O=C([C@@H]1CS[C@@H](C(=O)N1)C)N[C@H](C(=O)N1CCC[C@H]1C(=O)N)Cc1c[nH]cn1,0.2509998679161072
O=C([C@@H](c1ccccc1)N)N[C@@H]1C(=O)N2[C@H]1SC([C@@H]2C(=O)OCc1oc(=O)oc1C)(C)C.Cl,0.30593186616897583
O=C([C@@H]1OC1)Nc1ccccc1,0.5531119108200073
O=C([C@@H]1OC1)NCc1ccccc1,0.5559611320495605
O=C([C@H](Oc1ccc(cc1)Oc1cnc2c(n1)ccc(c2)Cl)C)OCCO/N=C(\C)/C,0.485456794500351
O=C([C@H]1CCCC[C@@H]1C(=O)OC[C@@H]1OC1)OC[C@@H]1OC1,0.4587855339050293
O=C([C@H]1O[C@@H]1c1ccccc1)c1ccccc1,0.4676408767700195
O=C([C@H]1[C@@H](C1(C)C)C=C(C)C)OCN1C(=O)C2=C(C1=O)CCCC2,0.4315339624881744
O=C([C@]1(C)OC1)NCc1ccccc1,0.4857466816902161
O=C(c1[nH]c2c(c1N)cccc2)N/N=C/c1ccccc1,0.6054623126983643
O=C([C@]1(C)OC1)Nc1ccccc1,0.5117396116256714
O=C(c1c(C)nn(c1F)C)Nc1ccccc1C(=O)C,0.3772749900817871
O=C(c1c(O)cc(cc1O)C(=O)O)C1CC1,0.3825504183769226
O=C(c1ccc(cc1)C(=O)O)NN(C(C)(C)C)C(=O)c1cc(C)cc(c1)C,0.4108126163482666
O=C(c1ccc(cc1)C(=O)C)NN(C(C)(C)C)C(=O)c1cc(cc(c1)C(=O)O)C(=O)O,0.4497494101524353
O=C(c1ccc(c(c1)Cl)Cl)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)c1ccc(c(c1)Cl)Cl,0.561697781085968
O=C(c1ccc(cc1)N)OCCCOC(=O)c1ccc(cc1)N,0.42899090051651
O=C(c1ccc(cc1)Cl)NCOC(=O)C,0.4667273461818695
O=C(c1ccc(cc1)C(C)(C)C)ON(C(=O)c1ccccc1)OCc1ccccc1,0.4386843144893646
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O=C(c1ccc(cc1)[N+](=O)[O-])/C=C/c1ccccc1,0.5826023817062378
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O=c1oc2ccc(cc2c2c1cccc2)[N+](=O)[O-],0.7147558927536011
O=c1oc2ccc(c3c2c2c1cccc2cc3)[N+](=O)[O-],0.8027000427246094
O=c1oc2cccc(c2cc1[C@@H]1CCc2c(C1)cccc2)O,0.3199226856231689
O=c1oc2cc(ccc2cc1c1ccccc1)n1nc2c(n1)c1ccccc1cc2,0.6132925152778625
O=C1N[C@@H](C(C)C)C(=O)N2CCC[C@H]2C(=O)N(C)CC(=O)N([C@H](C(=O)O[C@H]([C@@H]1NC(=O)c1c2-c(oc3c(n2)c(ccc3C)C(=O)N[C@H]2[C@@H](C)OC(=O)[C@@H](C(C)C)N(C)C(=O)CN(C(=O)[C@H]3N(C(=O)[C@@H](NC2=O)C(C)C)CCC3)C)c(c(=O)c1N)C)C)C(C)C)C,0.5995427966117859
OC(=O)/C(=C(/C(=O)O)\C)/Cl,0.292999267578125
OC(=O)/C=C(\C=C\[C@@]1(O)C(=CC(=O)CC1(C)C)C)/C,0.3401991426944733
OC(=O)/C=C/C(=O)CC(=O)C,0.2503687441349029
O=c1oc2cccc3c2c2c1cccc2cc3,0.7056905031204224
O=c1oc2cccc3c2c2c1cc1ccccc1c2cc3,0.5912663340568542
OC(=O)/C=C/Cl,0.4702096581459045
OC(=O)/C=C/c1c[nH]cn1,0.2766043543815613
OC(=O)/C=C/C(=O)O,0.4534075856208801
OC(=O)/C=C/C=C/C(=O)O,0.4419063925743103
OC(=O)/C=C/C(C(c1ccc(cc1)Cl)(Cn1cncn1)O)C,0.39063912630081177
OC(=O)/C=C/c1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C,0.4898213446140289
OC(=O)/C=C/c1ccc(cc1)[N+](=O)[O-],0.29425716400146484
OC(=O)/C=C/c1ccc(cc1)Cl,0.2339861840009689
OC(=O)/C=C/c1ccc(cc1)/C=C/C(=O)O,0.4602656364440918
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OC(=O)/C=C/c1ccc(c(c1)O)O,0.3494705259799957
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OC(=O)/C=C/c1ccc(o1)[N+](=O)[O-],0.5019499063491821
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OC(=O)C(CC(=O)O)(CC(=O)O)O,0.1886705607175827
OC(=O)C(=O)O,0.3551386892795563
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OC(=O)C(CC(=O)O)(CC(=O)O)O.CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1,0.3834191858768463
OC(=O)C(C(C(C(C(C(C(Cl)(F)F)(Cl)F)(F)F)(Cl)F)(F)F)(Cl)F)(F)F,0.17868810892105105
OC(=O)C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F,0.26649928092956543
OC(=O)C(CCl)Cl,0.4256342053413391
OC(=O)C(CS/C(=C(/C(=C(Cl)Cl)Cl)\Cl)/Cl)N,0.2661130428314209
OC(=O)C(CCS(=O)(=N)C)N,0.349131315946579
OC(=O)C(CC(=O)c1ccccc1N)N,0.4152162075042725
OC(=O)C(Cl)(Cl)C,0.19701506197452545
OC(=O)C(Cc1ccc(cc1)O)N,0.3414841592311859
OC(=O)C(Cc1ccc(c(c1)O)O)(N)C,0.3062595129013061
OC(=O)C(CSC(=C(Cl)Cl)Cl)N,0.377699226140976
OC(=O)C(CSc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])N,0.5332551002502441
OC(=O)C(Cc1cc(c(cc1Cl)F)n1ncn(c1=O)C(F)F)Cl,0.5150259733200073
OC(=O)C(Cc1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C)Cl,0.42909592390060425
OC(=O)C(Cl)(Cl)Cl.[Na+],0.2945686876773834
OC(=O)C(F)(F)F,0.3904072344303131
OC(=O)C(NC(=O)COc1cc(Cl)c(cc1Cl)Cl)CC(=O)O,0.16634100675582886
OC(=O)C(Cl)(Cl)Cl,0.340687096118927
OC(=O)C(Cn1cncc1)N,0.3431413173675537
OC(=O)C(Oc1ccc(cc1)[C@@H]1CC1(Cl)Cl)(C)C,0.20516076683998108
OC(=O)C(NC(=O)COc1cc(Cl)c(cc1Cl)Cl)CCC(=O)O,0.13774117827415466
OC(=O)C(Oc1cccc2c1cccc2)C,0.491461455821991
OC(=O)C(Oc1ccc(cc1Cl)Cl)C,0.3112066686153412
OC(=O)C(S(=O)(=O)O)Cc1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C,0.4583749771118164
OC(=O)C(c1ccc(cc1)CSc1cnn(c(=O)c1Cl)C(C)(C)C)(C)C,0.3878965079784393
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OC(=O)C(c1ccc(cc1)Oc1nccs1)C,0.2056773602962494
OC(=O)C(c1ccc(cc1Cl)Cl)Cn1cncn1,0.2610151767730713
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OC(=O)C(c1cccc(c1)C(=O)c1ccccc1)C,0.3233969807624817
OC(=O)C1=CC(N(C1(C)C)O)(C)C,0.3932825028896332
OC(=O)C1(N)CCCC1,0.2562960386276245
OC(=O)C1(C)CCCC2(C1CCC13C2CCC(C3)(C(=C)C1)O)C,0.3895069360733032
OC(=O)C1(C)CCCC2(C1CCC13C2CCC(C3)(C(C1)C)O)C,0.35021865367889404
OC(=O)C1=NN(C(=O)[C@H]1N=Nc1ccc(cc1)S(=O)(=O)O)c1ccc(cc1)S(=O)(=O)O,0.4470506310462952
OC(=O)C1=NN(C(=O)[C@H]1/N=N/c1ccc(cc1)S(=O)(=O)O)c1ccc(cc1)S(=O)(=O)O.[Na+].[Na+].[Na+],0.4352549612522125
OC(=O)C1(C)CCCC2(C1CCC13C2CCC(C3)(C2(C1)OC2)O)C,0.3059106469154358
OC(=O)C1CC1,0.2308981865644455
OC(=O)C1CC(N(C1(C)C)O)(C)C,0.2633028328418732
OC(=O)C1=CC2=CCC3C(C2(CC1)C)CCC1(C3CCC1C(=O)NC(C)(C)C)C,0.4555604457855225
OC(=O)C1=CC2=CC[C@@H]3[C@@H]([C@]2(CC1)C)CC[C@]1([C@H]3CC[C@H]1C(=O)NC(C)(C)C)C,0.4884403347969055
OC(=O)C1CSSC(C(=O)N1)(C)C,0.34708788990974426
OC(=O)C1N2C(=O)CC2S(=O)(=O)C1(C)Cn1ccnn1,0.3270832896232605
OC(=O)C1NC(C)c2c(C1)c1ccccc1[nH]2,0.3759804666042328
OC(=O)C1NC(c2ccccc2)c2c(C1)c1ccccc1[nH]2,0.5456161499023438
OC(=O)C1NC(Cc2ccccc2O)c2c(C1)c1ccccc1[nH]2,0.2875039577484131
OC(=O)C1NCc2c(C1)c1ccccc1[nH]2,0.5942153334617615
OC(=O)C1CSC(N1C(=O)CCSSCCC(=O)N1C(CSC1c1ccccc1O)C(=O)O)c1ccccc1O,0.2282275855541229
OC(=O)C1C2C3(C4C51CC(=C)C(C5)(O)CC4)C=CC(C2(C)C(=O)O3)O,0.4426105916500092
OC(=O)C=C,0.26898184418678284
OC(=O)C1OC1C(=O)O,0.3659969866275787
OC(=O)CC(=O)N(c1c(C)cccc1C(=O)O)C(C(=O)O)C,0.3292791247367859
OC(=O)CC(=O)O,0.2439663410186768
OC(=O)CBr,0.4037542939186096
OC(=O)CC(C(=O)O)N,0.2718069553375244
OC(=O)CC(C(=O)O)O,0.4082614779472351
OC(=O)CCC(=O)CC(=O)C,0.14201924204826355
OC(=O)CC(C(C(c1ccc(cc1)Cl)(Cn1cncn1)O)C)O,0.2346818149089813
OC(=O)CC(C1CCCS(=O)(=O)C1)CC(=O)O,0.3539236783981323
OC(=O)CCC(=O)Nc1ccc(c(c1Cl)Cl)Cl,0.3373534083366394
OC(=O)CC(C1CCCS(=O)C1)CC(=O)O,0.2354832887649536
OC(=O)CCC(=O)O,0.17511844635009766
OC(=O)CC(c1ccc(cc1)Cl)NC(=O)[C@H](C(C)C)NC(=O)OC(C)C,0.13463810086250305
OC(=O)CCC(=O)O.[Na+].[Na+],0.22626519203186035
OC(=O)CCC(=O)OC[C@@H]([C@H](c1ccc(cc1)[N+](=O)[O-])O)NC(=O)C(Cl)Cl,0.5459214448928833
OC(=O)CCC(=O)O.[Na+],0.17511844635009766
OC(=O)CCC(=O)O.CN(CCO[C@](c1ccccn1)(c1ccccc1)C)C,0.3707257509231568
OC(=O)CCC(=O)OC[C@@H]([C@@H](c1ccc(cc1)[N+](=O)[O-])O)NC(=O)C(Cl)Cl.[Na+],0.5033613443374634
OC(=O)CCC(C(=O)O)NC(=O)c1ccc(cc1)N(Cc1cnc2c(n1)c(N)nc(n2)N)C,0.3292090594768524
OC(=O)CCCCCCCCC(=O)O,0.17852188646793365
OC(=O)CCCC(=O)O,0.2894381284713745
OC(=O)CCCCC(=O)O,0.37040361762046814
OC(=O)CCC(C1CCC2C1(C)CCC1C2CCc2c1ccc(c2)O)C,0.27638936042785645
OC(=O)CCCC[C@H]1SSCC1,0.2018623799085617
OC(=O)CCCOc1ccc(cc1C)Cl,0.11503304541110992
OC(=O)CCCC[C@@H]1SC[C@H]2[C@H]1NC(=O)N2,0.20898370444774628
OC(=O)CCCCCCCCCCCNC(=O)C1CC(N(C1(C)C)O)(C)C,0.16700153052806854
OC(=O)CCC(C1CCC2C1(C)CCC1C2C(=O)CC2C1(C)CCC(=O)C2)C,0.3418723940849304
OC(=O)CCCc1c[nH]c2c1cccc2,0.34980735182762146
OC(=O)CCN[N+](C)(C)C,0.3440524935722351
OC(=O)CCCOc1ccc(cc1Cl)Cl,0.0880642980337143
OC(=O)CCP(=O)(O)C,0.2574073672294617
OC(=O)CC[C@@H](C(=O)O)N,0.3446691930294037
OC(=O)CCN=N#N,0.490729033946991
OC(=O)CC[C@@H](C(=O)O)N.[Na+],0.3280647397041321
OC(=O)CC[C@@H](C(=O)O)N.[K+],0.3446691930294037
OC(=O)CC[C@@H](C(=O)O)N.O.N,0.3086370825767517
OC(=O)CC[C@@H](C(=O)O)N.[K+].O,0.3073943853378296
OC(=O)CC[C@@H](C(=O)O)NC(=O)c1ccc(cc1)NCc1cnc2c(n1)c(=O)nc([nH]2)N,0.2915950119495392
OC(=O)CCc1c[nH]c2c1cccc2,0.1931035816669464
OC(=O)CC[C@@H](C(=O)O)NC(=O)c1cc(Cl)c(c(c1)Cl)N(Cc1cnc2c(n1)c(N)nc(n2)N)C,0.283897340297699
OC(=O)CCc1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C,0.3846236765384674
OC(=O)CC[C@@H](C(=O)O)NC(=O)c1ccc(cc1)NCc1cnc2c(n1)c(O)nc(n2)N,0.2061244249343872
OC(=O)CCl,0.4660292267799378
OC(=O)CC[C@H]([C@H]1CC[C@@H]2[C@]1(C)C(=O)C[C@H]1[C@H]2CC[C@H]2[C@]1(C)CCC(=O)C2)C,0.2964110374450684
OC(=O)CI,0.4715513586997986
OC(=O)CCc1ccccc1,0.26295632123947144
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OC(=O)CN(CC(=O)O)CC(=O)O.[Na+].[Na+].[Na+],0.30727145075798035
OC(=O)CN(CC(=O)O)CCN(CC(=O)O)CC(=O)O,0.31767088174819946
OC(=O)CN(CC(=O)O)CC(=O)O.[Na+].[Na+].[Na+].O,0.4724884033203125
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OC(=O)CN(CC(=O)O)CCN(CC(=O)O)CC(=O)O.[Na+].[Na+],0.22643086314201355
OC(=O)CNCP(=O)(O)O,0.48698490858078
OC(=O)COc1cc(Cl)c(cc1Cl)Cl,0.21216841042041776
OC(=O)CN(CC(=O)O)CCN(CC(=O)O)CC(=O)O.[Na+].[Na+].[Na+].[Na+],0.271660715341568
OC(=O)COc1ccc(c(c1Cl)Cl)C(=O)c1cccs1,0.26827043294906616
OC(=O)COc1ccc(cc1)Cl,0.365875244140625
OC(=O)CNC(=O)c1ccc(cc1)[N+](=O)[O-],0.5444753170013428
OC(=O)COc1ccc(cc1Cl)Cl.CC(N)C,0.2158717662096024
OC(=O)COc1ccc(cc1Cl)Cl,0.20341503620147705
OC(=O)COc1ccc(cc1Cl)Cl.OCCNCCO,0.2172446995973587
OC(=O)COc1ccc(cc1C)Cl,0.2381236106157303
OC(=O)COc1ccc(cc1Cl)Cl.CNC,0.2158717662096024
OC(=O)COc1ccc(cc1Cl)Cl.[Na+],0.17636854946613312
OC(=O)CP(=O)(O)C,0.2943650186061859
OC(=O)CS,0.1995527446269989
OC(=O)COc1nc(Cl)c(cc1Cl)Cl,0.12564241886138916
OC(=O)CS.[Na+],0.11469171941280365
OC(=O)COc1ccccc1,0.3932551145553589
OC(=O)COc1ccc2c(c1)cccc2,0.568421483039856
OC(=O)C[C@@H](C(=O)O)N.[Na+].[Na+],0.3325233459472656
OC(=O)C[C@@H](C(=O)O)C,0.18940512835979464
OC(=O)C[C@@H](C(=O)O)Cl,0.419067531824112
OC(=O)CSc1nc(cc(n1)Cl)Nc1cccc(c1C)C,0.1360284686088562
OC(=O)C[N+](C)(C)C,0.1561625897884369
OC(=O)CSc1ccc2-c3ccccc3C(=O)c3c2c1ccc3,0.5111976861953735
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OC(=O)Cc1ccc(c(c1)O)O,0.2841773927211761
OC(=O)Cc1c[nH]c2c1cccc2,0.30445829033851624
OC(=O)Cc1ccc(cc1)Cl,0.3074953556060791
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OC(=O)Cc1ccc(cc1)NC(=O)C,0.28265005350112915
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OC(=O)Cc1ccc(cc1)C(=O)NN(C(C)(C)C)C(=O)c1cc(C)cc(c1)C,0.32978707551956177
OC(=O)Cc1ccccc1Cl,0.21949064731597898
OC(=O)Cc1ccccc1[N+](=O)[O-],0.1496232897043228
OC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl.[Na+],0.208221048116684
OC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl,0.1874700337648392
OC(=O)Cc1cccc2c1cccc2,0.4195341169834137
OC(=O)Cn1c(C)ncc1[N+](=O)[O-],0.3706929981708527
OC(=O)Cn1cncn1,0.3148226737976074
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OC(=O)[C@@H]1CSCN1,0.20960204303264615
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OC(=O)[C@@H]1CC(N(C1(C)C)O)(C)C,0.22530552744865415
OC(=O)[C@@H](Cc1ccc(c(c1)O)O)N,0.4088413715362549
OC(=O)[C@@H]1CSSC(C(=O)N1)(C)C,0.2606605291366577
OC(=O)[C@@H](CCl)Cl,0.4256342053413391
OC(=O)[C@@H]1NCc2c(C1)c1ccccc1[nH]2,0.6326926350593567
OC(=O)[C@@H]1N2C(=O)C[C@H]2S(=O)(=O)[C@@]1(C)Cn1ccnn1,0.30056509375572205
OC(=O)[C@H](CC(=O)c1cccc(c1N)O)N,0.3011489808559418
OC(=O)[C@H](Br)Cl,0.44588702917099
OC(=O)[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)N(c1ccc(cc1)c1ccccc1)O,0.2924793362617493
OC(=O)[C@H](CSC(=C(Cl)Cl)Cl)N,0.4002230763435364
OC(=O)[C@H](CC[S@](=O)(=N)C)N,0.3169471621513367
OC(=O)[C@H](CS/C(=C(/C(=C(Cl)Cl)Cl)\Cl)/Cl)N,0.3287239372730255
OC(=O)[C@H](Cc1ccc(c(c1)O)O)N,0.4131087362766266
OC(=O)[C@@H]1N[C@@H](c2ccccc2)c2c(C1)c1ccccc1[nH]2,0.5456161499023438
OC(=O)[C@H](Cc1c[nH]c2c1cc(O)cc2)N,0.3625776767730713
OC(=O)[C@H](CSc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])N,0.4846310615539551
OC(=O)[C@H](Cc1ccc(c(c1)[N+](=O)[O-])O)N,0.3773965835571289
OC(=O)[C@H](O)C,0.2984757423400879
OC(=O)[C@H](Oc1ccc(cc1C)Cl)C,0.23900048434734344
OC(=O)[C@H](O)C.CCOc1ccc2c(c1)c(N)c1c(n2)cc(cc1)N,0.7321440577507019
OC(=O)[C@@H]1[C@H](C(=O)O)[C@]2(C([C@]1(Cl)C(=C2Cl)Cl)(Cl)Cl)Cl,0.3061618208885193
OC(=O)[C@H](O)C.[Na+],0.2878422737121582
OC(=O)[C@H](Oc1ccc(cc1Cl)Cl)C,0.2662615180015564
OC(=O)[C@H]([C@H](C(=O)O)CC(=O)O)CC(=O)O,0.23577480018138885
OC(=O)[C@H](Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F)C,0.12116042524576187
OC(=O)[C@](Cc1ccc(c(c1)O)O)(N)C,0.3062595129013061
OC(=O)[C@H](c1ccc(cc1)Oc1nccs1)C,0.17823074758052826
OC(=O)[C@H](c1cccc(c1)C(=O)c1ccccc1)C,0.4014469683170319
OC(=O)[C@](Cc1ccc(c(c1)O)O)(N)C.O,0.3554267287254333
OC(=O)[C@H](c1ccc2c(c1)[nH]c1c2cc(cc1)Cl)C,0.3904351890087128
OC(=O)[C@H]1N[C@@H](C)c2c(C1)c1ccccc1[nH]2,0.344596803188324
OC(=O)c1c(Cl)c(Cl)c(c(c1Cl)Cl)C(=O)O,0.3357686996459961
OC(=O)c1c(Cl)ccc2c1nc(O)c(c2)C,0.3246726095676422
OC(=O)c1c(C(=O)O)c(Br)c(c(c1Br)Br)Br,0.3979957699775696
OC(=O)c1c(Cl)cccc1Cl,0.29749947786331177
OC(=O)[C@]1(C)CCC[C@@]2([C@H]1CC[C@@]13[C@@H]2CC[C@](C3)(C(=C)C1)O)C,0.3947652280330658
OC(=O)c1c(Cl)nn(c1S(=O)(=O)N)C,0.25886377692222595
OC(=O)c1c(N)cccc1N,0.4172519743442536
OC(=O)c1c[n+]([O-])c2c([n+]1[O-])cccc2,0.5407106876373291
OC(=O)c1cc(/N=N/c2ccc(cc2)S(=O)(=O)Nc2ccccn2)ccc1O,0.3556573987007141
OC(=O)[C@]1(C)CCC[C@@]2(C1CC[C@]13C2CC[C@@](C3)(C(=O)C1)C)C,0.3499219715595245
OC(=O)[C@H]1[C@H]2[C@]3([C@@H]4[C@]51CC(=C)[C@](C5)(O)CC4)C=C[C@@H]([C@@]2(C)C(=O)O3)O,0.459859848022461
OC(=O)c1cc(Cl)cc(c1)Cl,0.2235923558473587
OC(=O)c1cc(O)c(c(c1)O)O,0.320313572883606
OC(=O)c1cc(O)c2c(n1)c(O)ccc2,0.3313140273094177
OC(=O)c1cc(N=Nc2ccc(cc2)S(=O)(=O)Nc2ccccn2)ccc1O,0.28545886278152466
OC(=O)c1cc(c(cc1NCc1ccco1)Cl)S(=O)(=O)N,0.42484980821609497
OC(=O)c1cc(O)c2c(n1)cccc2,0.469566822052002
OC(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-],0.3922818303108215
OC(=O)c1cc(cc2c1nccc2)[N+](=O)[O-],0.3921838998794556
OC(=O)c1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C(=O)O,0.4502273201942444
OC(=O)c1cc(ccc1N)Cc1ccc(c(c1)C(=O)O)N,0.4429539740085602
OC(=O)c1ccc(c(c1)C)[N+](=O)[O-],0.3986613154411316
OC(=O)c1cc2ccccc2cc1O,0.4951997697353363
OC(=O)c1ccc(c(c1)N)C,0.4262193143367767
OC(=O)c1ccc(c(c1)Cl)Cl,0.3761684000492096
OC(=O)c1cc(ccc1N)S(=O)(=O)O,0.4913699626922608
OC(=O)c1ccc(c(c1Cl)COCC(F)(F)F)S(=O)(=O)C,0.30358007550239563
OC(=O)c1ccc(c(c1C)C1=NOCC1)S(=O)(=O)C,0.4194274544715881
OC(=O)c1cc2ccccc2c(c1O)N=Nc1ccc(c(c1)S(=O)(=O)O)C,0.5038685798645021
OC(=O)c1cc2ccccc2c(c1O)Cc1c(O)c(cc2c1cccc2)C(=O)O.CN(c1ccc2c(c1)ccc([n+]2C)/C=C/c1cc(n(c1C)c1ccccc1)C)C.CN(c1ccc2c(c1)ccc([n+]2C)/C=C/c1cc(n(c1C)c1ccccc1)C)C,0.7012025713920593
OC(=O)c1ccc(c2c1snn2)O,0.3755939304828644
OC(=O)c1ccc(cc1)/N=N/c1ccc(c(c1)C(=O)O)O,0.4112911820411682
OC(=O)c1ccc(cc1)C,0.4251785278320313
OC(=O)c1ccc(cc1)C(=O)O,0.4576226770877838
OC(=O)c1ccc(cc1)/C=N/n1nnc2-c(c1O)nc1c2cccc1,0.5796641707420349
OC(=O)c1ccc(cc1)/C=N/n1nnc2c(c1=O)[nH]c1c2cccc1,0.5817290544509888
OC(=O)c1ccc(cc1)N,0.41511115431785583
OC(=O)c1ccc(cc1)[N+](=O)[O-],0.4552273154258728
OC(=O)c1ccc(cc1)Cl,0.3998170793056488
OC(=O)c1ccc(cc1Cl)S(=O)(=O)C,0.3939612805843353
OC(=O)c1ccc(cc1)N=Nc1ccc(c(c1)C(=O)O)O,0.3534726500511169
OC(=O)c1ccc(cc1N)[N+](=O)[O-],0.4834322929382324
OC(=O)c1ccc(cc1N)S(=O)(=O)C,0.4112663269042969
OC(=O)c1ccc(cc1S(=O)(=O)O)C(F)(F)F,0.4052442908287048
OC(=O)c1ccc(cc1S(=O)(=O)C)C(F)(F)F,0.4605681300163269
OC(=O)c1cccc(c1)[N+](=O)[O-],0.395966112613678
OC(=O)c1ccc(o1)[N+](=O)[O-],0.5287026762962341
OC(=O)c1cccc(c1C)[N+](=O)[O-],0.4322364330291748
OC(=O)c1ccc(nc1S(=O)(=O)N)C(F)(F)F,0.3892238736152649
OC(=O)c1cccc(c1)C(=O)O,0.35463112592697144
OC(=O)c1cccc(c1)C(F)(F)F,0.3827368319034576
OC(=O)c1cccc(c1Cl)Cl,0.322343111038208
OC(=O)c1cccc2c1nccc2,0.3154265582561493
OC(=O)c1cccc(c1N)O,0.5054124593734741
OC(=O)c1ccccc1,0.33955249190330505
OC(=O)c1cccc2c1OC(O2)(F)F,0.28923922777175903
OC(=O)c1cccc2c1snn2,0.4756155908107758
OC(=O)c1ccccc1C(F)(F)F,0.277984082698822
OC(=O)c1ccccc1C(=O)O,0.35632315278053284
OC(=O)c1ccccc1C,0.3949533402919769
OC(=O)c1ccccc1.[Na+],0.3803997337818146
OC(=O)c1ccccc1N,0.40575647354125977
OC(=O)c1ccccc1Cl,0.3077888786792755
OC(=O)c1ccccc1S(=O)(=O)N,0.4370874464511871
OC(=O)c1ccccc1O,0.40236854553222656
OC(=O)c1ccccc1O.[Na+],0.3701104521751404
OC(=O)c1ccccc1O.CNC(=O)Oc1ccc2c(c1)[C@]1(C)CCN([C@@H]1N2C)C,0.4063266813755035
OC(=O)c1ccccc1Nc1cccc(c1)C(F)(F)F,0.4069418907165527
OC(=O)c1cccnc1,0.2222699373960495
OC(=O)c1cccnc1Nc1cccc(c1)C(F)(F)F,0.3961653709411621
OC(=O)c1ccco1,0.2661207616329193
OC(=O)c1cccnc1Oc1cccc(c1)C(F)(F)F,0.20778319239616394
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
OC1C(O)C(O)COC1(O)CN(c1ccc(cc1)C)N=O,0.487919420003891
OC1=C(O)c2nc3c(cc2C24C1(CCCC4)O2)ccc1c3cccc1,0.587431788444519
OC1=C/C(=N\c2ccc(cc2)[N+](=O)[O-])/C(=O)C=C1c1nnc(s1)NC(=O)c1ccccc1,0.502703070640564
OC1C(=C)C2(CC31CCC1C(C3CC2)(C)CCCC1(C)C(=O)O)O,0.4202389717102051
OC1C(O)C2OC2c2c1ccc1c2c2ccccc2cc1,0.6908445358276367
OC1C(N)CC(OC1C)OC1CC(O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2)C(=O)C,0.5780606865882874
OC1C(O)C2OC2c2c1ccc1c2c2ccccc2c2c1cccc2,0.6552556753158569
OC1C(O)C=Cc2c1cc1ccc3c4c1c2ccc4ccc3O,0.6047044992446899
OC1C(O)C2OC2c2c1ccc1c2nc2c(c1)ccc1c2cccc1,0.7064846754074097
OC1C(O)C2OC2c2c1ccc1c2cc2c(n1)ccc1c2cccc1,0.7027469873428345
OC1C(O)C=Cc2c1cccn2,0.4709405303001404
OC1C(O)C=Cc2c1ccc1c2cc2c(c1)c1C=CC(C(c1cc2)O)O,0.6547421216964722
OC1C(O)c2cc3c(cc2-c2c1cccc2)ccc1c3cccc1,0.7842941284179688
OC1C(O)C2OC32c2c1cccc2-c1c3cc2c(c1)cccc2,0.682411789894104
OC1C(O)C=Cc2c1ccc1c2cc2c(n1)ccc1c2cccc1,0.6031395792961121
OC1C(O)c2cccc3c2c2c1cc1ccccc1c2cc3,0.6670924425125122
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
OC1C2OC2c2c(C1O)ccc1c2cc(C)c2c1cccc2,0.6492727994918823
OC1C2OC2c2c(C1O)ccc1c2cc2ccc3c(c2n1)cccc3,0.6456201672554016
OC1C2OC2c2c(C1O)ccc1c2cc2cccc3c2c1C=C3,0.7699114084243774
OC1C2OC2c2c(C1O)ccc1c2ccc2c1CCC2,0.6507716178894043
OC1C2OC2c2c(C1O)ccc1c2cc2ccccc2c1C,0.7065598964691162
OC1C2OC2c2c(C1O)ccc1c2ccc2c1cc(cc2)O,0.8375992774963379
OC1C2OC2c2c(C1O)ccc1c2ccc2c1cccc2,0.7711561918258667
OC1C2OC2c2c(C1O)ccc1c2ccc[n+]1[O-],0.6920000314712524
OC1C2OC2c2c(C1O)ccc1c2cccc1,0.7763140797615051
OC1C2OC2c2c(C1O)cccn2,0.4531360566616058
OC1C2OC2c2c(C1O)ccc1c2cccn1,0.6576896905899048
OC1C2OC2c2c(C1O)ccc1c2nccc1,0.7836224436759949
OC1C=CC2C(C1O)O2,0.5469516515731812
OC1C2OC2c2c(C1O)ccc1c2nc2ccc3c(c2c1)cccc3,0.720378041267395
OC1C=CC2=C(C1O)c1cccc3c1c2ccc3,0.5933176279067993
OC1C=C2CC=C3C(C2(CC1O)C)CC(C1(C3CC=C1C(=O)C)C)O,0.5223445892333984
OC1C=CC=CC1O,0.5104974508285522
OC1C=Cc2c(C1)cc1c3c2ccc2c3c(cc1)ccc2,0.6013715863227844
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
OC1C=Cc2c(C1O)cc1c(c2)c2ccccc2cc1C,0.7376786470413208
OC1C=Cc2c(C1O)cc1c(c2)ccc(c1)[N+](=O)[O-],0.6925161480903625
OC1C2C(=O)C3=C(O)c4c(C(=O)C53C1C1C32C(=C(O)c2c(C3=O)c(O)c(cc2O)C)C(=O)C5C1O)c(O)c(cc4O)C,0.5203486680984497
OC1C=Cc2c(C1O)cc1c(c2Br)ccc2c1cccc2,0.6223743557929993
OC1C=Cc2c(C1O)cc1-c3ccccc3-c3c1c2cc1ccccc31,0.7039682269096375
OC1C=Cc2c(C1O)cc1c3c2ccc2c3c(cc1)ccc2,0.7985273599624634
OC1C=Cc2c(C1O)ccc1c2c(C)cc2c1CCC2,0.5926732420921326
OC1C=Cc2c(C1O)cc1c3c2ccc2c3c(cc1)ccc2[N+](=O)[O-],0.75372314453125
OC1C=Cc2c(C1O)cc1c3c2-c2ccccc2-c3cc2c1cccc2,0.6384145021438599
OC1C=Cc2c(C1O)ccc1c2cc2ccc3c(c2c1)cccc3,0.7122893929481506
OC1C=Cc2c(C1O)ccc1c2cc2ccccc2c1Br,0.5671041011810303
OC1C=Cc2c(C1O)ccc1c2cc2C(O)C(O)c3c(-c2c1)cccc3,0.6075353622436523
OC1C=Cc2c(C1O)ccc1c2cc2ccccc2c1Cl,0.5834607481956482
OC1C=Cc2c(C1O)ccc1c2cccc1,0.645214319229126
OC1C=Cc2c(C1O)ccc1c2cc2ccccc2c1[N+](=O)[O-],0.6978915929794312
OC1C=Cc2c(C1O)ccc1c2ccc2c1CCC2,0.6639425158500671
OC1C=Cc2c(C1O)ccc1c2ccc2c1CCC2=O,0.6097491383552551
OC1C=Cc2c(C1O)ccc1c2cccn1,0.5801832675933838
OC1C=Cc2c(C1O)ccc1c2nc2cc(C)ccc2c1C,0.6279500722885132
OC1C=Cc2c(C1O)ccc1c2nccc1,0.6490496397018433
OC1C=Cc2c(C1O)nccc2,0.4243893623352051
OC1C=Cc2c(C1O)ccc1c2nc2ccc(cc2c1C)C,0.6484366655349731
OC1C=Cc2c(C1O)ccc1c2sc2c1cccc2,0.658544659614563
OC1CC(C)(C)N(C(C1)(C)C)O,0.23484539985656736
OC1CC2C(C1(C)CC2)(C)C,0.4533284604549408
OC1CC=Cc2c1nccc2,0.4348688125610352
OC1CC(O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)c(O)ccc2)C(=O)C,0.4840148985385895
OC1CC=Cc2c1cc1ccc3c4c1c2ccc4ccc3,0.7122231721878052
OC1CCC2(C(=CCC3C2CCC2(C3CCC2=O)C)C1)C,0.5095495581626892
OC1CCC2(C(C1)CC(=O)C1C2CCC2(C1CCC2C(CCC(=O)O)C)C)C,0.26148828864097595
OC1CCC2(C(C1)CC(C1C2CC(O)C2(C1CCC2C(CCC(=O)O)C)C)O)C,0.23167447745800016
OC1C2(Cl)C3(C4(C1(Cl)C1(C2(C3(Cl)C(C41Cl)(Cl)Cl)Cl)Cl)Cl)Cl,0.4812520146369934
OC1CCC2(CC1)NC(=O)C(C2=O)(O)c1cc(C)ccc1C,0.4564808309078217
OC1CCC2(C(C1)CCC1C2CC(=O)C2(C1CCC2C(CCC(=O)O)C)C)C,0.301267683506012
OC1CCC2(C(C1)CCC1C2CC(O)C2(C1CCC2C(CCC(=O)O)C)C)C,0.2806549966335297
OC1CCC2(C(C1)CCC1C2CCC2(C1CCC(=O)N2)C)C,0.3973522782325745
OC1CCC2(CC1)NC(=O)C(C2O)(O)c1cc(C)ccc1C,0.3872052431106568
OC1CCCC(C1)NC(=O)N1C(=O)SC(C1C)c1ccc(cc1)Cl,0.2904564738273621
OC1CCCCC1,0.3723829388618469
OC1CCN(CC1)N=O,0.6261560320854187
OC1CCN2C1C(=CC2)COC(=O)C(C(O)C)(C(C)C)O,0.5014683604240417
OC1CC[N+](CC1)(C)C.[Cl-],0.4081749022006989
OC1COC(=C(C1=O)O)C,0.382207453250885
OC1CC2(C)C(C(C1O)(C)C(=O)O)CCC1(C2CC=C2C1(C)CCC1(C2CC(C)(C)CC1)C(=O)O)C,0.4295810759067536
OC1CCCc2c1c([N+](=O)[O-])c1c3c2ccc2c3c(cc1)ccc2,0.760898768901825
OC1CCCc2c1cc1ccc3c4c1c2ccc4c(cc3)[N+](=O)[O-],0.7170491218566895
OC1CCN(CC1)c1c(F)cc2c3c1CCC(n3cc(c2=O)C(=O)O)C,0.4669409692287445
OC1COC2(C1CC(=O)C2(O)Cc1cn(c2c1cccc2)C)O,0.3898177444934845
OC1OC(=O)C(=C1C)Cl,0.3052566647529602
OC1COC2(C1OC(=O)C2(O)Cc1c[nH]c2c1cccc2)O,0.32777997851371765
OC1OC(=O)C(=C1Cl)Cl,0.3457512855529785
OC1Cc2c3c1c(C)ccc3cc1c2ccc2c1cccc2,0.6252389550209045
OC1c2cc3ccccc3c3c2c2c1cccc2cc3,0.7080653309822083
OC1c2cccc3c2c2c(C1O)c1ccccc1cc2cc3,0.6925187110900879
OC1OC(=O)C=C1CCl,0.4914819598197937
OC1c2ccccc2-c2c(C1O)c(Br)c1c(c2)cccc1,0.5601749420166016
OC1c2cc3ccc4c5c3c(c2C(C(C1O)S(=O)(=O)O)O)ccc5ccc4,0.6747537851333618
OC1c2ccccc2-c2c(C1O)c(C)c1c(c2)cccc1,0.5643611550331116
OC1c2ccccc2-c2c(C1O)c(Cl)c1c(c2)cccc1,0.5173331499099731
OC1c2ccccc2Oc2c1cccc2,0.5964912176132202
OC1c2ccccc2-c2c(C1O)c1ccccc1cc2,0.6715270280838013
OC1CCC2(C(=CCC3C2CCC2(C3CC3C2C(C)C2N3CC(CC2)C)C)C1)C,0.5110938549041748
OCC#CCO,0.3809537887573242
OCC#C,0.267094761133194
OCC(=O)CO,0.5244778990745544
OCC(=O)Nc1c(CC)cccc1CC,0.3839294314384461
OCC(=O)N(c1ccc(cc1)Cl)O,0.3918599486351013
OCC(=O)O,0.3801121115684509
OCC(=O)N(c1c(C)cccc1C)CCSCC(C(=O)O)O,0.2773576378822327
OCC(=O)C1(O)CCC2C1(C)CC(=O)C1C2CCC2=CC(=O)C=CC12C,0.5024232268333435
OCC(=O)[C@@]1(O)CC[C@@H]2[C@]1(C)C[C@H](O)[C@H]1[C@H]2CCC2=CC(=O)C=C[C@]12C,0.5210531949996948
OCC(=O)C1(O)CC(OC2CC(N)C(C(O2)C)O)c2c(C1)c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2OC,0.5121088027954102
OCC(=O)C1(O)CC(OC2OC(C)C(C(C2)N(C)C)O)c2c(C1)c(O)c1c(c2O)C(=O)c2c(C1=O)c(OC)ccc2,0.454697459936142
OCC(=O)C1(O)CC(OC2CC(N)CC(O2)C)c2c(C1)c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2OC,0.5159174203872681
OCC(C(=O)NNCc1ccc(c(c1O)O)O)N,0.4730945527553558
OCC(C(=O)O)N,0.38680148124694813
OCC(C(C(=O)NCCC(=O)O)O)(C)C,0.353027880191803
OCC(=O)[C@@]1(O)C[C@H](O[C@H]2C[C@H](N)[C@H]([C@@H](O2)C)O)c2c(C1)c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2,0.580898642539978
OCC(C(C(C(C(=O)O)O)O)O)O,0.473158985376358
OCC(=O)[C@@]1(O)[C@H](C)CC2[C@]1(C)C[C@H](O)[C@]1(C2CCC2=CC(=O)C=C[C@]12C)F,0.5173177719116211
OCC(C(C(C(C=O)O)O)O)O,0.5025699734687805
OCC(C(C(C1SCCN1N=O)O)O)O,0.5506974458694458
OCC(=O)[C@@]1(O)C[C@H](O[C@H]2C[C@H](N)C[C@@H](O2)C)c2c(C1)c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2OC,0.4749160408973694
OCC(C(C(C(C1SCC(N1N=O)C(=O)O)O)O)O)O,0.4009923934936523
OCC(=O)[C@@]1(O)C[C@H](O[C@H]2C[C@H](N)[C@H]([C@@H](O2)C)O)c2c(C1)c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2OC,0.5480583906173706
OCC(=O)[C@@]1(O)C[C@H](O[C@H]2C[C@H](N)[C@H]([C@@H](O2)C)O)c2c(C1)c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2OC.Cl,0.5487518310546875
OCC(C(CO)O)NC(=O)C1CC([N+](=O)C1(C)C)(C)C,0.4738826751708984
OCC(C(c1ccccc1)N=N#N)O,0.6292825937271118
OCC(C(c1ccc(cc1)[N+](=O)[O-])O)NC(=O)C(Cl)Cl,0.466792494058609
OCC(C)C,0.2539283037185669
OCC(C1(Cl)CC1)(Cc1ccccc1Cl)O,0.4403682351112366
OCC(C(CO)O)O,0.5327525734901428
OCC(C1OC(=O)C(=C1O)O)O,0.5165084600448608
OCC(CO)(CO)CO,0.4995741248130798
OCC(CO)(C)C,0.4265348315238953
OCC(CBr)(CBr)CO,0.5188041925430298
OCC(CBr)(CBr)CBr,0.44886937737464905
OCC(CBr)(Br)C,0.5028473138809204
OCC(CO)O,0.4540837407112122
OCC(Cl)(Cl)Cl,0.4191167950630188
OCC(COP(=O)(O)O)O,0.3484629690647125
OCC(COc1ccc(cc1)C(c1ccc(cc1)OCC1CO1)(C)C)O,0.4706196784973145
OCC(Cl)Cl,0.5197919011116028
OCC(Cc1ccccc1)CN=N#N,0.6871970891952515
OCC(COc1ccc(cc1)C(c1ccc(cc1)OCC(CO)O)(C)C)O,0.4219393730163574
OCC(N[C@@H]1C[C@](O)(CO)[C@@H]([C@H]([C@@H]1O)O)O)CO,0.4520352780818939
OCC([N+](=O)[O-])(CO)Br,0.444394201040268
OCC1(CO)CO[C@H](N1)c1ncc(n1C)[N+](=O)[O-],0.5006366968154907
OCC(c1ccc(cc1)NC(=O)N(C)C)C,0.37285992503166204
OCC1(CO1)C12OC2C2(C(=CC1=O)CCC(C2C)O)C,0.5173429250717163
OCC1(C)C=C2C(=C(C)C3(C(C2=O)(C)O)CC3)C1O,0.5159615278244019
OCC(CNC(=O)c1c(I)c(N(C(=O)C)CC(CN(c2c(I)c(C(=O)NCC(CO)O)c(c(c2I)C(=O)NCC(CO)O)I)C(=O)C)O)c(c(c1I)C(=O)NCC(CO)O)I)O,0.4582693576812744
OCC1(O)CCC23CC1CC2CCC1C3(C)CCC(C1(C)CO)O,0.5202908515930176
OCC12OOC2(C)c2c(O1)cccc2,0.45932883024215704
OCC1(O)C[C@@]23CC1CCC3[C@]1(C(CC2)c2ccoc2CC1)C,0.5079953670501709
OCC12COC(N2C(OC1)c1ccc(cc1)[N+](=O)[O-])c1ccc(cc1)[N+](=O)[O-],0.7058814764022827
OCC12OOC2(CO)Oc2c1cccc2,0.5210096836090088
OCC12C(C=C(C(=O)C1O)C)OC1C3(C2(C)CC1O)CO3,0.5082165002822876
OCC12C(C=C(C(=O)C1O)C)OC1C3(C2(C)C(O)C1O)OC3,0.5080787539482117
OCC1=CCN2[C@H]1[C@H](O)CC2,0.5903077721595764
OCC1=C[C@@H]2CC(C[C@H]2[C@]2([C@]1(C=O)C2)C)(C)C,0.5233668088912964
OCC1CCCO1,0.42424899339675903
OCC1C=CC(C1)n1cnc2c1nc(N)nc2O,0.5198488235473633
OCC1NC(Cc2c1[nH]c1c2cccc1)C(=O)O,0.4882273674011231
OCC1CC1,0.4567545056343079
OCC12SSC3(N(C1=O)C1C(O)C=CC=C1C3)C(=O)N2C,0.5151113867759705
OCC1OC(O)C(C(C1O)O)NC(=O)N(N=O)C,0.502781867980957
OCC1OC(OC23C=C(C)C4(C(C3C(=O)C(C2)(C)C)(C)O)CC4)C(C(C1OC(=O)/C=C/c1ccc(cc1)O)O)OC(=O)C,0.3856286406517029
OCC1OC(OC2C(OC3C(O)C(O)C(C(C3N=C(N)N)O)N=C(N)N)OC(C2(O)C=O)C)C(C(C1O)O)NC,0.5420728921890259
OCC=C(CCC=C(C)C)C,0.4651145040988922
OCC=C,0.3937994837760925
OCC=O,0.5567415952682495
OCCBr,0.4947945475578308
OCCC#N,0.2584591507911682
OCCC(C)C,0.226446345448494
OCCC(CCC=C(C)C)C,0.4381621479988098
OCCC1(O)NC(=O)C2(C1O2)C(=O)/C(=C/C=C/C(=C/C(=C/C1=CCOC1=O)/C)/C)/C,0.4439016282558441
OCCCBr,0.5043633580207825
OCCCC1(O)CCC2C1(C)CC(c1ccc(cc1)N(C)C)C1=C3CCC(=O)C=C3CCC21,0.5678061246871948
OCCCCCCC/C=C/C=C/C,0.43138733506202703
OCCCCCCCCCCCCCCCCCC(=O)O,0.1852552443742752
OCCCCCl,0.5451154708862305
OCCCCN(CCO)N=O,0.5608235597610474
OCCCCN(N=O)C,0.5809640288352966
OCCCCN(N=O)CC,0.5450498461723328
OCCCCO,0.3619230091571808
OCCCCl,0.5229772329330444
OCCCN(N=O)CC,0.5660504102706909
OCCCN=N,0.5216532945632935
OCCCNC(=O)C(C(CO)(C)C)O,0.35179203748703003
OCCCNP(=O)(N(CCCl)CCCl)O,0.5646898746490479
OCCCO/C=C/C=C/C=C/C=C/C=C/CC,0.3401564955711365
OCCC[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]21,0.5554072260856628
OCCCc1ccccc1,0.5027123689651489
OCCCl,0.5233790278434753
OCCI,0.4863033294677734
OCCN(C(=O)N)N=O,0.5814504623413086
OCCN(C(=O)Nc1ccc(c(c1)Cl)Cl)C,0.4902849793434143
OCCN(C(=O)Nc1ccccc1)C,0.4446793496608734
OCCN(C(=O)OCC)N=O,0.4893773198127746
OCCN(C(C)(C)C)CCO,0.3874517977237701
OCCN(C)C,0.40566286444664
OCCN(CC(=O)N(C(Cc1ccccc1)(C)C)C)CC(=O)N(C(Cc1ccccc1)(C)C)C,0.3091610372066498
OCCN(CC(=O)O)N=O,0.3546715080738068
OCCN(CC)CC,0.32555803656578064
OCCN(CCO)C,0.383061558008194
OCCN(CCO)CCO,0.3711368143558502
OCCN(N=O)CC,0.5839692950248718
OCCN(N=O)CCO,0.5140482783317566
OCCN(c1ccc(c(c1)C)N=Nc1ccc(cc1)N)CCO,0.5471166372299194
OCCN(c1ccc(c(c1)C)N=Nc1cccnc1)CCO,0.578325092792511
OCCN(c1ccc(c(c1)Cl)N=Nc1c(Cl)cc(cc1Cl)[N+](=O)[O-])CCO,0.5845392346382141
OCCN(c1ccc(c(c1)[N+](=O)[O-])NC)CCO,0.5811768770217896
OCCN(c1ccc(c2c1nc1ccccc1c2NCCCN(C)C)[N+](=O)[O-])CCO,0.6260524988174438
OCCN(c1ccc(cc1)/N=N/c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])CCO,0.7044779658317566
OCCN(c1ccc(cc1)C)CCO,0.4313296377658844
OCCN(c1ccc(cc1)N=Nc1ccc(cc1)C)CCO,0.5551314353942871
OCCN(c1ccc(cc1)N=Nc1ccc(cc1C#N)[N+](=O)[O-])CCO,0.5972090363502502
OCCN(c1ccc(cc1)N=Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])CCO,0.6787724494934082
OCCN(c1ccc(cc1)N=Nc1ccc(nc1)N(CCO)CCO)CCO,0.4772750437259674
OCCN(c1ccc(cc1)N=Nc1cccnc1)CCO,0.5895202159881592
OCCN(c1ccc(cc1O)[N+](=O)[O-])CCO,0.5958256125450134
OCCN(c1ccc2c(c1)cccc2)CCO,0.5320547223091125
OCCN(c1nc(nc2c1cccc2)c1ccc(s1)[N+](=O)[O-])CCO,0.6391230225563049
OCCN(c1nc(nc2c1cccc2)c1cccs1)CCO,0.5420814156532288
OCCN1CC1,0.5285786390304565
OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F,0.5109074711799622
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OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)N(c1ccc(cc1)[N+](=O)[O-])N=O,0.5299089550971985
OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc(n1)C(=O)N,0.3788158297538757
OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cc(O)c(nc1=O)N,0.5123120546340942
OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc(nc1=O)N,0.4830304980278015
OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1[nH]c(=O)nc2N.O,0.3913781642913817
OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(nc2N)c1ccc(cc1)[N+](=O)[O-],0.37478432059288025
OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N,0.5092955231666565
OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NO,0.5125851035118103
OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NCc1ccc(cc1)[N+](=O)[O-],0.4641815721988678
OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2S,0.3803958594799042
OC[C@H]1O[C@H]([C@@H]([C@@H]1OP(=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1ccc(nc1=O)N)O)O)n1cnc2c1ncnc2N,0.5485235452651978
OC[C@H]1O[C@H]([C@@H]([C@@H]1O[P@@](=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1ccc(nc1=O)N)O)O)n1cnc2c1ncnc2N,0.5187565684318542
OC[C@H]1O[C@@H](O[C@H]([C@@H](C(=O)N[C@@H]([C@@H]([C@@H](C(=O)N[C@@H](C(=O)NCCc2scc(n2)c2scc(n2)C(=O)NCCC[S+](C)C)[C@@H](O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)[C@H](CC(=O)N)NC[C@H](C(=O)N)N)c2nc[nH]c2)[C@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@@H]1O)OC(=O)N)O.OC[C@H]1O[C@@H](O[C@H]([C@H](C(=O)N[C@@H]([C@@H]([C@@H](C(=O)N[C@H](C(=O)NCCc2scc(n2)c2scc(n2)C(=O)NCCCCNC(=N)N)[C@H](O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)[C@H](CC(=O)N)NC[C@H](C(=O)N)N)c2nc[nH]c2)[C@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)OC(=O)N)O,0.3910415172576904
OC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)c1ccc2c(c1O)C(=O)c1c(C2=O)cccc1,0.468346893787384
OC[C@H]1O[C@H]([C@H]([C@@H]1O)O)n1ccc(nc1=O)N.Cl,0.4975298941135407
OC[C@H]1O[C@H]([C@@H]([C@H]1O)O)n1cnc2c1ncnc2NC[C@@H](COc1cccc2c1cccc2)O,0.5842217803001404
OC[C@H]1O[C@H]2[C@H]([C@@H]1O)Oc1n2ccc(=N)n1,0.5609609484672546
OC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)N1C(=O)c2c3c1cc1c(OC)cccc1c3c1c(c2)OCO1,0.6005038619041443
OC[C@]1(C)C=C2C(=C(C)C3([C@@](C2=O)(C)O)CC3)[C@H]1O,0.5046919584274292
OC[C@]12[C@@H](C=C(C(=O)[C@@H]1O)C)O[C@@H]1[C@]3([C@@]2(C)C[C@@H]1O)CO3,0.5208041667938232
OCc1c(CO)cnc(c1O)C,0.41001445055007935
OCc1c(CO)cnc(c1O)C.Cl,0.4442408680915833
OC[C@]12[C@H](C=C(C(=O)[C@@H]1O)C)O[C@@H]1[C@]3([C@@]2(C)[C@@H](OC(=O)C)[C@@H]1O)OC3,0.4765660762786865
OCc1c(Cl)c(ccc1S(=O)(=O)C)C(=O)O,0.3502127528190613
OCc1c(N)cccc1[N+](=O)[O-],0.5800144672393799
OCc1c(O)cc2c(c1O)C(=O)c1c(C2=O)cccc1,0.5472255945205688
OCc1c(OC)cc2c(c1OC)C(=O)c1c(C2=O)cccc1,0.5545488595962524
OCc1c(cccc1[N+](=O)[O-])[N+](=O)[O-],0.7680283784866333
OCc1c2cc(C)ccc2nc2c1ccc1c2cccc1,0.6836678385734558
OCc1c2ccc(cc2nc2c1ccc1c2cccc1)C,0.6207999587059021
OCc1c(O[C@H]2O[C@H](CO[C@@H]3OC[C@H]([C@@H]([C@H]3O)O)O)[C@H]([C@@H]([C@H]2O)O)O)cc2c(c1O)C(=O)c1c(C2=O)cccc1,0.4923669397830963
OC[C@H]1O[C@@H](O[C@H]([C@H](C(=O)N[C@@H]([C@@H]([C@@H](C(=O)N[C@H](C(=O)NCCc2scc(n2)c2scc(n2)C(=O)NCCCCN=C(N)N)[C@H](O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)[C@H](CC(=O)N)NC[C@H](C(=O)N)N)c2nc[nH]c2)[C@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)OC(=O)N)O,0.3278300166130066
OCc1c2ccc3c(c2c(c2c1cccc2)C)cccc3,0.6253206133842468
OCc1c2ccc3c(c2c(c2c1cccc2)CO)cccc3,0.6394906044006348
OCc1c2ccc3c(c2nc2c1cc(C)cc2)C=CC(C3O)O,0.5813175439834595
OCc1c2ccc3c(c2cc2c1cccc2)cccc3,0.6249358654022217
OCc1c2ccc3c4c2c(c2c1cccc2)ccc4ccc3,0.6939531564712524
OCc1c2ccccc2c(c2c1c1ccccc1cc2)COS(=O)(=O)O.[Na+],0.6093708276748657
OCc1c2ccccc2c(c2c1c1ccccc1cc2)COS(=O)(=O)O,0.5676273107528687
OCc1c2ccccc2c(c2c1cccc2)C,0.6328370571136475
OCc1c2ccccc2cc2c1cccc2,0.7266851663589478
OCc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1)O,0.5298007726669312
OCc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)ccc1,0.5240603089332581
OCc1cc(ccc1O)C(=O)CN(C(C)(C)C)Cc1ccccc1,0.404779851436615
OCc1cc(ccc1O)C(=O)CN(C(C)(C)C)Cc1ccccc1.Cl,0.3737082779407501
OCc1cc2CC[C@H](Nc2cc1[N+](=O)[O-])CNC(C)C,0.5007829070091248
OCc1cc2c([nH]1)c1ncccc1cc2,0.7399481534957886
OCc1cc(ccc1O)C(CN(C(C)(C)C)Cc1ccccc1)O,0.30194371938705444
OC[C@]12O[C@@H]1[C@H]1[C@@H]3O[C@]4(O[C@]1([C@H]1[C@@]([C@@H]2O)(O)C(=O)C(=C1)C)[C@@H]([C@H]([C@@]3(O4)C(=C)C)OC(=O)/C=C/C=C/c1ccccc1)C)c1ccccc1,0.4647744297981262
OCc1cc2ccc3c4c2c(c1)ccc4ccc3,0.7329975366592407
OCc1cc2cccc3-c4c(-c(c1)c23)cccc4,0.7316077947616577
OCc1cc2c3ccccc3cc3c2c2c1cccc2cc3,0.6769618391990662
OCc1cc2ccccc2c2c1c1ccccc1cc2,0.7761659026145935
OCc1cc2cccc3c2c2c1c1ccccc1cc2cc3,0.7496327757835388
OC[C@H]1O[C@@H](O[C@]23CCC4[C@@](C2)(CC3=C)CCC2[C@@]4(C)CCC[C@@]2(C)C(=O)O[C@@H]2O[C@@H](CO)C([C@H](C2O)O)O)[C@@H]([C@H](C1O)O)O[C@@H]1O[C@H](CO)[C@@H]([C@@H]([C@H]1O)O)O,0.4779775738716126
OCc1ccc(cc1)Br,0.5744313597679138
OCc1ccc(c2c1sc1ccccc1c2=O)NCC[N+](CC)(CC)[O-],0.4995559751987457
OCc1cc2ncc(nc2c2c1n(C)c(n2)N)C,0.6061621904373169
OCc1ccc(cc1)Cl,0.4732267856597901
OCc1ccc(cc1)C#N,0.574602484703064
OCc1ccc(cc1)C,0.5394482612609863
OCc1ccc(cc1)C(F)(F)F,0.570846676826477
OCc1ccc(cc1)NS(=O)(=O)N(C)C,0.4583505988121033
OCc1ccc(cc1)NNC(=O)C,0.407569944858551
OCc1ccc(cc1)NNC(=O)CC[C@@H](C(=O)O)N,0.43455862998962397
OCc1ccc(cc1)F,0.4913372397422791
OCc1ccc(cc1)O,0.5153185725212097
OCc1ccc(cc1)OC(=O)C,0.2728657424449921
OCc1ccc(cc1N)[N+](=O)[O-],0.5744087100028992
OCc1ccc(cc1)OC,0.49852055311203
OCc1ccc(cc1[N+](=O)[O-])N,0.6330674886703491
OCc1ccc(cc1)[N+](=O)[O-],0.5074092745780945
OCc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],0.6632934808731079
OCc1ccc(o1)c1[nH]ccc2-c1nc1c2cccc1,0.5878348350524902
OCc1ccc2-c1cc(ccc2C)C(=C)C,0.4870675206184387
OCc1ccc(o1)C=O,0.498979389667511
OCc1ccc2-c3c(-c4c2c1ccc4)cccc3,0.7399024963378906
OCc1ccc2c(c1)C(=O)c1c(C2=O)cccc1,0.5427864789962769
OCc1ccc2-c3c4c(-c2c1)cccc4ccc3,0.7618986368179321
OCc1ccc2c(c1)c(C)c1c(n2)c2ccccc2cc1,0.7595914602279663
OCc1ccc2c(c1)c(C)c1c(-c3ccccc3C3C1O3)n2,0.7054863572120667
OCc1ccc2c(c1)c(C)c1c(n2)c2C=CC(C(c2cc1)O)O,0.6291824579238892
OCc1ccc2c(c1)c(CO)c1c(n2)c2ccccc2cc1,0.7605574131011963
OCc1ccc2c(c1)nc1c(c2CO)ccc2c1cccc2,0.6900548934936523
OCc1ccc2c(c1)nc1c(c2C)ccc2c1cccc2,0.7196606397628784
OCc1ccc2c3c1-c1ccccc1-c3ccc2,0.7695903778076172
OCc1cccc(c1)Oc1ccccc1,0.6097275018692017
OCc1cccc(c1)[N+](=O)[O-],0.46896892786026
OCc1ccccc1,0.5284398794174194
OCc1ccc2c3c1ccc1c3c(cc2)ccc1,0.6614452004432678
OCc1ccc2c3c1Sc1cc(Cl)ccc1-c3nn2CC[N+](CC)(CC)[O-],0.4967077672481537
OCc1cccc2-c3c4c(-c12)cccc4ccc3,0.7226141691207886
OCc1ccccc1N=Nc1ccc(cc1)N(C)C,0.5512475967407227
OCc1ccccc1[N+](=O)[O-],0.5461325645446777
OCc1ccccc1/N=N/c1ccc(cc1)N(C)C,0.5349279642105103
OCc1ccco1,0.4495132565498352
OCc1ccnc2c1cccc2,0.5855259299278259
OCc1nc(N)nc(c1)C1CC1,0.4287540018558502
OCc1nc(Nc2ccccc2)nc(c1)C1CC1,0.460777997970581
OCc1cnc2c(n1)c1nc(n(c1cc2)C)NS(=O)(=O)O,0.5860050320625305
OCc1occ(c(=O)c1)O,0.5096439123153687
OCc1nn(c(=O)n1C(F)F)c1cc(C(=O)O)c(cc1F)Cl,0.5348238945007324
OCc1nn(c(=O)n1C(F)F)c1cc(CCC(=O)O)c(cc1F)Cl,0.5149313807487488
ON(C(=O)c1ccccc1)c1ccc2-c3c(Cc2c1)cccc3,0.6183456778526306
ON1C(=O)CCC1=O,0.4740496277809143
ON(c1ccccc1)C(=O)C,0.5991277098655701
ON(c1ccc(cc1)Cl)C(=O)C,0.4319846034049988
ON(c1ccc(cc1)Oc1ccc(cc1)Cl)C(=O)C,0.5134569406509399
ON(c1ccc(cc1)Br)C(=O)C,0.5085309743881226
ON1C(C)(C)CC(C1(C)C)C(=O)N,0.3125684857368469
ON1CN(Cl)CN(C1)Cl,0.5043263435363771
ON1C(C)(C)CCCC1(C)C,0.2380523681640625
ON1CN(Cl)CN(C1)Cl.[K+],0.4875269830226898
ON1C(C)(C)C[C@@H](C1(C)C)C(=O)N,0.3635020852088928
ON1c2ccccc2C(=O)C1(C)c1ccccc1,0.5467923283576965
ON1c2ccccc2/C(=N\c2ccccc2)/C1(C)c1ccccc1,0.4776694178581238
ON1c2ccccc2C(=O)[C@@]1(C)c1ccccc1,0.5292542576789856
ONC(=O)CNC(=O)c1ccccc1,0.5265482068061829
ON=C1CCCCC1,0.4715978503227234
ONC(=O)c1ccc(c(c1)O)O,0.5246342420578003
ONC(=O)Cc1cn(cn1)N=O,0.4604853093624115
ONC(=O)c1ccccc1,0.5016218423843384
ONC(=O)c1ccc2c(c1)cccc2,0.5746251344680786
ONC(=O)c1ccccc1O,0.4664734899997711
ONc1cc(C)cc(c1)C,0.5326248407363892
ONc1c(C)cccc1C,0.5889668464660645
ONc1[nH]cnc2-c1ncn2,0.5029529929161072
ONS(=O)(=O)c1cccc2c1nccc2,0.6685019731521606
ONc1cc(cc(c1C)[N+](=O)[O-])[N+](=O)[O-],0.6900641918182373
ONc1cc(NO)c(c(c1)[N+](=O)[O-])C,0.5437897443771362
ONc1cc(C)ccc1C,0.5401644706726074
ONc1cc(ccc1C)[N+](=O)[O-],0.6374348402023315
ON1c2ccccc2/C(=N\c2ccccc2)/C1(c1ccccc1)c1ccccc1,0.4793561398983002
ONc1cc[n+](c2c1cccc2)[O-],0.6591268181800842
ONc1ccc(c(c1)Cl)Cl,0.5531948208808899
ONc1ccc(c(c1)C)C,0.5333136320114136
ONc1ccc(c(c1)[N+](=O)[O-])C,0.5375788807868958
ONc1cc2c([nH]1)cccc2,0.5686185956001282
ONc1ccc(cc1)C,0.477039247751236
ONc1ccc(cc1)Cl,0.5543789863586426
ONc1ccc(cc1)N=Nc1ccccc1,0.5696578621864319
ONc1ccc(cc1)/N=N/c1ccccc1,0.5613740682601929
ONc1ccc(cc1)C(=O)C,0.4755480885505676
ONc1ccc(cc1)N=O,0.6194213032722473
ONc1ccc(cc1)[N+](=O)[O-],0.5677353143692017
ONc1ccc(cc1)Oc1ccccc1,0.5751314163208008
ONc1ccc(cc1)c1ccc(cc1)C(C)(C)C,0.5452665090560913
ONc1ccc(cc1)Sc1ccccc1,0.527260422706604
ONc1ccc(cc1)Oc1ccc(cc1)NC(=O)C,0.3904407620429993
ONc1ccc(cc1C)C,0.5131203532218933
ONc1ccc(cc1)c1ccccc1,0.564830482006073
ONc1ccc(cc1C(C)(C)C)c1ccccc1,0.4853111207485199
ONc1ccc(cc1Cl)Cc1ccc(c(c1)Cl)N,0.5558546185493469
ONc1ccc2-c3c(Cc2c1)cccc3,0.6885498762130737
ONc1ccc2c(c1)cccc2,0.7973412275314331
ONc1cccc(c1C)C,0.535197377204895
ONc1ccc2c(n1)n1cccc(c1n2)C,0.6987703442573547
ONc1cccc(c1)c1ccccc1,0.5957075953483582
ONc1cccc(c1)C,0.5389493107795715
ONc1ccccc1c1ccccc1,0.5504826903343201
ONc1ccccc1,0.5358289480209351
ONc1ccccc1C,0.5380988121032715
ONc1cnc2c(c1)nc1n2cccc1,0.7200475335121155
ONc1cccc2c1cccc2,0.7268074154853821
ONc1nc(N)nc2c1nc[nH]2,0.5671312212944031
ONc1nc2c(n1C)cc(cn2)c1ccccc1,0.5718638300895691
ONc1nc2[nH]c3c(c2cc1C)cccc3,0.630722165107727
ONc1nc(N)nc2c1[nH]cn2,0.6060336828231812
ONc1cnc2c(c1C)nc1n2cccc1C,0.5668456554412842
ONc1nc2c(n1C)ccc1c2cccn1,0.7392112016677856
ONc1nc2c(n1C)ccc1c2nc(C)cn1,0.5963417291641235
ONc1ncnc2c1ncn2C,0.558519721031189
OOC(C)(C)C,0.2642648220062256
ONc1ncnc2c1nc[nH]2,0.5121902227401733
ONc1oc(c(c1c1ccccc1)c1ccccc1)C(=O)OC,0.4263309836387634
ONc1ncnc2c1ncn2Cc1ccccc1,0.5968216061592102
OOC(c1ccccc1)(C)C,0.5236966013908386
OOC(N=NC)(C)C,0.4185001254081726
OOC([C@@H]1CC[C@H](CC1)C)(C)C,0.3808150291442871
OOC1(C)c2ccccc2-c2c1cccc2,0.655428409576416
OOCc1cn([C@H]2C[C@H]([C@H](O2)CO)O)c(=O)[nH]c1=O,0.4460790753364563
OO[C@@H]1CCCc2c1cccc2,0.549402117729187
OOC12C=CC3C(C2(C)CCC(C1)O)CCC1(C3CCC1C(CCCC(C)C)C)C,0.5946704149246216
OOC1C=C2CC(O)CCC2(C2C1C1CCC(C1(C)CC2)C(CCCC(C)C)C)C,0.35992541909217834
OO[C@@H]1C=C2C[C@@H](O)CC[C@@]2([C@@H]2[C@@H]1[C@@H]1CC[C@H]([C@@]1(C)CC2)[C@@H](CCCC(C)C)C)C,0.4278313517570496
OO[C@]12C=C[C@@H]3[C@@H]([C@@]2(C)CC[C@@H](C1)O)CC[C@]1([C@H]3CC[C@H]1[C@@H](CCCC(C)C)C)C,0.58661288022995
OP(=O)(O)O.OP(=O)(O)O.NCCC[C@H](Nc1cc(OC)cc2c1nccc2)C,0.5053368210792542
OP(=O)(O)O.COc1ccc2c3c1O[C@H]1[C@@]43CCN([C@H](C2)[C@@H]4C=C[C@@H]1O)C,0.5940876007080078
OP(=O)(O)O.OP(=O)(O)O.CCN(CCC[C@H](Nc1ccnc2c1ccc(c2)Cl)C)CC,0.5051724314689636
OP(Oc1ccc(cc1)C(c1ccc(cc1)OP(O)O)(C)C)O,0.4333649575710297
OS(=O)(=O)O.CN[C@H]([C@@H](c1ccccc1)O)C.CN[C@H]([C@@H](c1ccccc1)O)C,0.4032731056213379
OS(=O)(=O)O.CCN(c1ccc(cc1)/C(=C/1\C=CC(=[N+](CC)CC)C=C1)/c1ccccc1)CC,0.5417966842651367
OS(=O)(=O)O.CNc1ccc(cc1)O.CNc1ccc(cc1)O,0.5485021471977234
OS(=O)(=O)CNc1ccc(cc1)N=Nc1cccnc1,0.4596236348152161
OS(=O)(=O)O.NNc1nnc(c2c1cccc2)NN,0.6351882219314575
OS(=O)(=O)O.COc1ccc(cc1N)N,0.6030832529067993
OS(=O)(=O)O.Cc1ccc(cc1)[N+]#N,0.5656211972236633
OS(=O)(=O)O.Nc1ccc(c(c1)C)N,0.573272705078125
OS(=O)(=O)O.Nc1ccc2c(c1)nc1c(c2)ccc(c1)N,0.6910473108291626
OS(=O)(=O)O.OCc1c2ccc3c(c2cc2c1cccc2)cccc3.[Na+],0.6103143692016602
OS(=O)(=O)O.OC[P+](CO)(CO)CO,0.44278162717819214
OS(=O)(=O)O.Oc1cccc2c1nccc2.Oc1cccc2c1nccc2,0.5432606935501099
OS(=O)(=O)OCc1c2ccccc2c2c3c1ccc1c3c(cc2)ccc1,0.6436408162117004
OS(=O)(=O)OCc1c2ccccc2c2c3c1ccc1c3c(cc2)ccc1.[Na+],0.6810703873634338
OS(=O)(=O)OCc1c2ccccc2cc2c1ccc1c2cccc1,0.7188912630081177
OS(=O)(=O)OCc1ccc2c3c1ccc1c3c(cc2)ccc1,0.6553038954734802
OS(=O)(=O)OCc1cc2ccccc2c2c1c1ccccc1cc2,0.7323926687240601
OS(=O)(=O)ONNCCc1ccccc1,0.4846417009830475
OS(=O)(=O)Oc1c2ccccc2c2c3c1ccc1c3c(cc2)ccc1,0.5987694263458252
OS(=O)(=O)Oc1ccc2c(c1)c1ccc3c4c1c(c2)ccc4ccc3,0.5998536348342896
OS(=O)(=O)Oc1ccc2c3c1ccc1c3c(cc2)c2c(c1)cccc2,0.5995228886604309
OS(=O)(=O)Oc1ccc2c3c1ccc1c3c(cc2)cc2c1cccc2,0.5858142971992493
OS(=O)(=O)Oc1cccc2c1cc1ccc3c4c1c2ccc4ccc3,0.6205511093139648
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OS(=O)(=O)c1ccc2c3c1ccc1c3c(cc2)ccc1,0.6425410509109497
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O[C@@H]1C=Cc2c([C@@H]1O)ccc1c2cccc1,0.7233327627182007
O[C@@H]1C=Cc2c([C@H]1O)c1ccc3c(c1cc2)cccc3,0.6731548309326172
O[C@@H]1C=Cc2c([C@H]1O)c1-c3ccccc3-c3c1c(c2)c1ccccc1c3,0.6630330681800842
O[C@@H]1C=Cc2c([C@H]1O)c1ccc3c(c1cc2[N+](=O)[O-])cccc3,0.6291991472244263
O[C@@H]1C=Cc2c([C@H]1O)cc1c(c2)c2ccccc2cc1C,0.6077008247375488
O[C@@H]1C=Cc2c([C@H]1O)cc(c1c2cc2ccccc2c1)C,0.6619701385498047
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O[C@@H]1C=Cc2c([C@H]1O)cc1c3c2-c2ccccc2-c3cc2c1cccc2,0.6966705322265625
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O[C@@H]1C=Cc2c([C@H]1O)ccc1c2cc([N+](=O)[O-])c2c1cccc2,0.7189830541610718
O[C@@H]1C=Cc2c([C@H]1O)ccc1c2cc2ccc3c(c2c1)cccc3,0.7917767167091371
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O[C@@H]1C=Cc2c([C@H]1O)ccc1c2cc2ccccc2c1,0.7011917233467102
O[C@@H]1C=Cc2c([C@H]1O)ccc1c2cc2ccccc2c1C,0.6398007273674011
O[C@@H]1C=Cc2c([C@H]1O)ccc1c2ccc2c1cc(cc2)O,0.7431204915046692
O[C@@H]1C=Cc2c([C@H]1O)ccc1c2nccc1,0.6784342527389526
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O[C@@H]1CC[C@@H](CC1)NC(=O)N1C(=O)S[C@H]([C@@H]1C)c1ccc(cc1)Cl,0.3350551128387451
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O[C@@H]1CC[C@H](CC1)NC(=O)N1C(=O)S[C@@H]([C@H]1C)c1ccc(cc1)Cl,0.3347121775150299
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O[C@@H]1CC[C@]2([C@@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)C,0.29558390378952026
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O[C@@H]1C[C@H]2C([C@]1(C)CC2)(C)C,0.4382525086402893
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O[C@@H]1OC(=O)C(=C1Cl)Cl,0.29419952630996704
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O[C@H]1C=Cc2c([C@@H]1O)cc1c3c2ccc2c3c(cc1)ccc2,0.6650789380073547
O[C@H]1C=Cc2c([C@@H]1O)cc1-c3cccc4c3c(-c1c2)ccc4,0.7351153492927551
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O[C@H]1C=Cc2c([C@@H]1O)ccc1-c3c4c(-c21)cccc4ccc3,0.7596796154975891
O[C@H]1C=Cc2c([C@@H]1O)ccc1c2cc2cccc3c2c1C=C3,0.6452217102050781
O[C@H]1C=Cc2c([C@@H]1O)ccc1c2c(cc2c1CCC2=O)C(F)(F)F,0.5499171614646912
O[C@H]1CCCCCc2cc(O)cc(c2C(=O)O[C@H](CCC1)C)O,0.23803672194480896
O[C@H]1CCCC[C@@H]1NC(=O)N1C(=O)S[C@H]([C@@H]1C)c1ccc(cc1)Cl,0.3348340690135956
O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3CCC2=O)C)C1)C,0.460943877696991
O[C@H]1C[C@@H](O)C(=C)/C(=C\C=C\2/CCC[C@]3([C@H]2CC[C@@H]3[C@@H](CC[C@H](C(C)C)O)C)C)/C1,0.4199492335319519
O[C@@H]1[C@@H]2C[C@@]34[C@@H]5[C@H]1[C@@]1(C(=C2O)C(=O)c2c(C1=O)c(O)c(cc2O)C)C[C@@H]([C@H]5O)C(=C3C(=O)c1c(C4=O)c(O)c(cc1O)C)O,0.5201585292816162
O[C@H]1C[C@@H](O)[C@]2([C@H](C1)[C@@H](C)C[C@@H]1[C@H](C2)[C@@H](C)C(=O)O1)C,0.3968725800514221
O[C@H]1CC[C@]2([C@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@H](CCC(=O)O)C)C)C,0.3345649838447571
O[C@H]1Cc2c(C1=O)cc(c1c2ccc2c1cccc2)C,0.676056444644928
O[C@H]1O[C@@H](O)[C@]2([C@H](C1)[C@@H](C)C[C@@H]1[C@H](C2)C(=C)C(=O)O1)C,0.3019241094589233
O[C@H]1Cc2c3c1c1ccc4c(c1cc3ccc2C)cccc4,0.6349488496780396
O[C@H]1[C@@H](O[C@@H]([C@H]([C@@H]1O)O)C)Oc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1)C,0.48033207654953
O[C@H]1C[C@H](O)C(=C)/C(=C\C=C\2/CCC[C@]3([C@H]2CC[C@@H]3[C@@H](/C=C/[C@H](C2CC2)O)C)C)/C1,0.3162897527217865
O[C@H]1[C@@H]2O[C@@H]2c2c([C@@H]1O)cc(c1c2ccc2c1cccc2)C,0.6753069758415222
O[C@H]1[C@@H]2O[C@@H]2c2c([C@@H]1O)ccc1c2c(C)ccc1C,0.6397711038589478
O[C@H]1[C@H](O)C=Cc2c1ccc1c2cc2c3c1CCc3c(cc2)C,0.665725827217102
O[C@H]1[C@@H](O[C@@H]([C@H]([C@@H]1O)O)CO[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O)Oc1ccc2c(c1O)C(=O)c1c(C2=O)cccc1,0.4948931336402893
O[C@H]1[C@H](O)[C@H](O[C@H]1n1ccc(=O)[nH]c1=O)COP(=O)(O)O.[Na+].[Na+],0.5047814846038818
O[C@H]1[C@@H]2O[C@@H]2c2c([C@@H]1O)ccc1c2nc2ccc3c(c2c1)cccc3,0.6696219444274902
O[C@H]1[C@H](O)[C@@H]2O[C@@H]2c2c1ccc1c2nc2c(c1)ccc1c2cccc1,0.7724007368087769
O[C@H]1[C@H](O)c2cccc3c2c2c1ccc(c2cc3)[N+](=O)[O-],0.6411813497543335
O[C@H]1[C@H](O)c2nc3ccc4c(c3cc2-c2c1cccc2)cccc4,0.5953367948532104
O[C@H]1[C@H]2O[C@H]2c2c([C@@H]1O)ccc1c2cc2ccccc2c1C,0.7065598964691162
O[Cl](=O)(=O)=O.C[N+]1=CC=C(CC1)c1ccccc1,0.3808137774467468
O[C@H]1[C@H](O)c2ccc(c3c2c2c1cccc2c1c3cccc1)[N+](=O)[O-],0.6872016787528992
O[I](=O)(=O)=O.NCC(=O)NCC(=O)NCC(=O)NCC(=O)O,0.3295693397521973
Oc1[nH]cnc2-c1cnn2,0.3477093577384949
O[Cl](=O)(=O)=O.CC[N+](=c1ccc2-c(c1)oc1c(n2)c2ccccc2c(c1)N)CC,0.6334850788116455
OS(=O)(=O)c1cc(ccc1/C=C/c1ccc(cc1S(=O)(=O)O)Nc1nc(Nc2ccccc2)nc(n1)N1CCOCC1)Nc1nc(Nc2ccccc2)nc(n1)N1CCOCC1,0.33767279982566833
Oc1[nH]nc2c1cccc2,0.35187655687332153
O[Cl](=O)(=O)=O.N=c1ccc2-c(c1)oc1c(n2)c2ccccc2c(c1)N,0.7153600454330444
Oc1c(Cl)cc(c(c1Cl)Cl)Cl,0.4597327709197998
O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@@H]3C[C@@H]3[C@@H]2[C@H](C)[C@@H]2N3C[C@H](CC2)C)C)C1)C,0.48924320936203
Oc1c(C)cc(c2c1C(=O)c1ccccc1C2=O)O,0.4769945740699768
OS(=O)(=O)c1cc(ccc1/C=C/c1ccc(cc1S(=O)(=O)O)Nc1nc(Nc2ccccc2)nc(n1)N1CCOCC1)Nc1nc(Nc2ccccc2)nc(n1)N1CCOCC1.[Na+].[Na+],0.3217715620994568
Oc1c(Br)cc2c(c1Br)oc1c(c2=O)c(C(=O)O)c(c(c1Cl)Cl)Cl,0.3056250214576721
Oc1c(N=Nc2ccc(cc2)S(=O)(=O)O)c2ccc(cc2cc1S(=O)(=O)O)S(=O)(=O)O,0.5358530282974243
Oc1c(O)cc(c2c1C(=O)c1ccccc1C2=O)O,0.5935109853744507
Oc1c(O)ccc2c1C(=O)c1c(C2=O)c(O)ccc1O,0.5894783735275269
Oc1c(Br)cc(cc1Br)C1(OS(=O)(=O)c2c1cccc2)c1cc(Br)c(c(c1)Br)O,0.2960478663444519
Oc1c(cccc1[N+](=O)[O-])[N+](=O)[O-],0.6517045497894287
Oc1c(O)cccc1O,0.534554123878479
Oc1c(cc(cc1[N+](=O)[O-])c1ccccc1)[N+](=O)[O-],0.6212831735610962
Oc1c(N=Nc2ccc(c3c2cccc3)S(=O)(=O)O)c2ccc(cc2cc1S(=O)(=O)O)S(=O)(=O)O,0.5000442862510681
Oc1c(Br)cc(cc1Br)C1(OS(=O)(=O)c2c1c(Br)c(Br)c(c2Br)Br)c1cc(Br)c(c(c1)Br)O,0.2804960906505585
Oc1c2c(ccc3c2OCCO3)nc2c1cccc2,0.6419073343276978
Oc1c2c(OC3C2C=CO3)cc2c1c(=O)c1c(o2)cccc1O,0.5980511903762817
Oc1c2c(OC3C2CCO3)cc2c1c(=O)c1c(o2)cccc1O,0.5556336641311646
Oc1c2-c3ccccc3-c3c2c2c4c1cccc4ccc2cc3,0.7193874716758728
Oc1c2ccccc2nc2c1cccc2,0.5968689322471619
Oc1c2c(O[C@@H]3[C@H]2C=CO3)cc2c1c(=O)c1c(o2)cccc1O,0.5150483250617981
Oc1c2ccccc2cc2c1ccc(c2O)O,0.7972587347030641
Oc1c2ccccc2nc2c1cco2,0.4601455628871918
Oc1cc(Cl)c(c(c1)Cl)Cl,0.4254196286201477
Oc1cc(=O)[nH]c(n1)N,0.4002708494663239
Oc1c2ccccc2c2c3c1ccc1c3c(cc2)ccc1,0.6607354879379272
Oc1cc(Cl)cc(c1)Cl,0.2929504215717316
Oc1cc(C)c2c(c1)oc(=O)c1c2cc(O)cc1O,0.4344891905784607
Oc1cc(Cl)c(cc1Cl)O,0.4602033495903015
Oc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)c(c(c1)C)O,0.555145263671875
Oc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1)C(=O)O,0.4194056391716003
Oc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1O)C,0.5128903388977051
Oc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1C(=O)C)O,0.5587931871414185
Oc1c2cc(N)c(cc2cc(c1N=Nc1ccc(c2c1cc(cc2)S(=O)(=O)O)N=Nc1ccc(cc1)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O,0.5666559338569641
Oc1cc(O)c2c(c1)oc(=O)cc2C,0.3589280545711517
Oc1cc(O)c2c(c1)[o+]c(c(c2)O)c1cc(O)c(c(c1)O)O.Cl,0.5278670787811279
Oc1cc(O)c2c(c1)C(=O)c1c(C2=O)cccc1,0.4958808422088623
Oc1cc(O)c2c(c1)[o+]c(c(c2)O)c1cc(O)c(c(c1)O)O,0.5207101106643677
Oc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)c2c(c1)O[C@@H]1[C@H]2C=CO1,0.6222332119941711
Oc1cc(O)c2c(c1)oc(c(c2=O)O)c1ccc(c(c1)O)O,0.4819371104240418
Oc1cc(O)c2c(c1)oc(c(c2=O)O)c1ccc(c(c1)O)O.O.O,0.48122438788414
Oc1cc(O)c2c(c1)oc1c(c2=O)c(O)ccc1O,0.5783623456954956
Oc1cc(O)c2c(c1)oc(cc2=O)c1ccc(c(c1)O)O,0.5465359091758728
Oc1cc(O)c2c(c1)oc1c(c2=O)cc(cc1)O,0.5300248265266418
Oc1cc(O)c2c(n1)cccc2,0.3733077645301819
Oc1cc(O)c2c(c1)oc(c(c2=O)O)c1ccccc1,0.4861730039119721
Oc1cc(O)cc(c1)O.O.O,0.42832881212234497
Oc1cc(O)cc(c1)O,0.4328145086765289
Oc1cc(cc2c1C(=O)c1c(C2=O)cccc1O)C(=O)O,0.4619430005550385
Oc1cc(O)n2c(n1)nc(n2)S(=O)(=O)Nc1c(Cl)ccc(c1Cl)C,0.35648348927497864
Oc1cc([N+](=O)[O-])c2c3c1ccc1c3c(cc2)ccc1,0.8763063549995422
Oc1cc2C[C@@]3([C@@H](c2cc1O)c1ccc(c(c1OC3)O)O)O,0.5295998454093933
Oc1cc2O[C@H]3[C@H](c2c2c1c(=O)c1c(o2)cccc1O)C=CO3,0.413381427526474
Oc1cc2OC(Cc2c2c1c(=O)c1c(n2C)cccc1)C1(C)CO1,0.5576342344284058
Oc1cc2OC3C(c2c2c1c(=O)c1c(o2)cccc1O)CCO3,0.5536662340164185
Oc1cc2O[C@@H](Cc2c2c1c(=O)c1c(n2C)cccc1)[C@@]1(C)CO1,0.5952003598213196
Oc1cc2c(c3c1cccc3)ccc1c2cccc1,0.6244917511940002
Oc1cc2O[C@H]3[C@H](c2c2c1c(=O)c1c(o2)cccc1O)CCO3,0.5951579809188843
Oc1cc2c3c4c1cccc4ccc3cc1c2cccc1,0.6475265622138977
Oc1cc2c3c4c1cccc4ccc3ccc2[N+](=O)[O-],0.8538249731063843
Oc1cc2c(=O)oc3c4c2c(c1O)oc(=O)c4cc(c3O)O,0.6033169031143188
Oc1cc2ccc(cc2cc1S(=O)(=O)O)S(=O)(=O)O.[Na+].[Na+],0.5001454353332521
Oc1cc2ccc(cc2cc1S(=O)(=O)O)S(=O)(=O)O,0.5396450757980347
Oc1cc2ccc(c3c2c2c1cccc2cc3)[N+](=O)[O-],0.8081107139587402
Oc1cc2cc3ccccc3c3c2c2c1cccc2cc3,0.5791677832603455
Oc1cc(O)c2c(c1)oc(c(c2=O)O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@@H]([C@H]([C@H]2O)O)O)[C@H]([C@H]([C@H]1O)O)O)c1ccc(c(c1)O)O,0.4231867790222168
Oc1cc2ccc3c4c2c(n1)ccc4ccc3,0.580976665019989
Oc1cc2ccc3c4c2c(c1)ccc4cc1c3cccc1,0.6523590683937073
Oc1cc2cccc3c2c2c1c(ccc2cc3)[N+](=O)[O-],0.821397602558136
Oc1cc2cccc3c2c2c1ccc(c2cc3)[N+](=O)[O-],0.8394147753715515
Oc1cc(C)c2c3c1C(=O)c1c(O)cc(c4c1c3c1c3c2c(C)cc(c3C(=O)c2c1c4c(O)cc2O)O)O,0.523361325263977
Oc1cc2ccc3-c4c(-c5c3c2c2c1cccc2c5)cccc4,0.6114352345466614
Oc1cc2ccccc2c(c1)O,0.5053839683532715
Oc1cc2cccc3c2c2c1cc1ccccc1c2cc3,0.6138429045677185
Oc1cc2ccccc2c2c1cccc2,0.639281153678894
Oc1ccc(c(c1)C)C,0.4178985059261322
Oc1ccc(c(c1)C(C)(C)C)O,0.351719468832016
Oc1cc2ccccc2c2c1c1ccccc1cc2,0.5688344836235046
Oc1cc2nnsc2c(c1)C(=O)O,0.4133660793304443
Oc1cc2cccc3c2c2c1=C(O)C14C(c2cc3)(O4)CCCC1,0.6772416234016418
Oc1ccc(c(c1)O)C(=O)O,0.4238232672214508
Oc1ccc(c(c1)Cl)Cl,0.5420301556587219
Oc1ccc(c(c1)C)Cl,0.3592256605625153
Oc1ccc(c(c1)O)N=Nc1ccc(cc1)[N+](=O)[O-],0.5627988576889038
Oc1ccc(c(c1)O)/N=N/c1ccc(cc1)[N+](=O)[O-],0.6205610036849976
Oc1ccc(c(c1)[N+](=O)[O-])[N+](=O)[O-],0.5445646047592163
Oc1ccc(c(c1)O)O,0.4934434294700623
Oc1ccc(c(c1Cl)Cl)Cl,0.4441425204277039
Oc1ccc(c2c1C(=O)c1ccccc1C2=O)N,0.5682151317596436
Oc1ccc(c(c1)C)O[P@](=O)(Oc1c(C)cccc1O)Oc1cc(O)ccc1C,0.4228387475013733
Oc1ccc(c2c1C(=O)c1c(Cl)ccc(c1C2=O)O)Cl,0.4514897465705872
Oc1ccc(c2c1c(O)c1ccccc1c2O)O,0.539964497089386
Oc1ccc(c2c1C(=O)c1ccccc1C2=O)O,0.5504769086837769
Oc1ccc(c2c1cccc2)N=Nc1ccc(cc1)S(=O)(=O)O,0.5178893804550171
Oc1ccc(c2c1cccc2)O,0.5325301885604858
Oc1ccc(c2c1c(=O)c1c(o2)cc2c(c1O)C1C=COC1O2)CCC(O)(C)C,0.4694172739982605
Oc1ccc(c2c1c(=O)c1c(o2)cc2c(c1O)[C@@H]1C=CO[C@@H]1O2)CCC(O)(C)C,0.5247232913970947
Oc1ccc(c2c1nccc2)S(=O)(=O)O,0.3815964758396149
Oc1ccc(cc1)/C=C/C(=O)c1ccccc1,0.4347143769264221
Oc1ccc(c2c1c(=O)c1c(o2)cc2c(c1O)[C@]1(O)C=CO[C@@H]1O2)CCC(O)(C)C,0.5226963162422179
Oc1ccc(cc1)/C=N/c1snc2c1cc(Cl)cc2Cl,0.5886014699935913
Oc1ccc(c2c1c(=O)c1c(o2)cc2c(c1O)C1(O)C=COC1O2)CCC(O)(C)C,0.5858985781669617
Oc1ccc(cc1)/C=N/c1snc2c1cccc2,0.6834803819656372
Oc1ccc(cc1)C(=O)O,0.34699106216430664
Oc1ccc(cc1)C(=O)/C=C/c1ccccc1,0.398417592048645
Oc1ccc(cc1)C(=O)N/N=C/c1ccc(o1)[N+](=O)[O-],0.5097055435180664
Oc1ccc(cc1)C(c1ccccc1)(C)C,0.4787805676460266
Oc1ccc(cc1)/C=N/n1nnc2c(c1=O)[nH]c1c2cccc1,0.5981992483139038
Oc1ccc(cc1)/C=N/n1nnc2-c(c1O)nc1c2cccc1,0.5833468437194824
Oc1ccc(cc1)CCC(=O)c1c(O)cc(cc1O)O,0.3567621111869812
Oc1ccc(cc1)C1(CCCCC1)c1ccc(cc1)O,0.5160031914710999
Oc1ccc(cc1)C1CC(=O)c2c(O1)cc(cc2O)O,0.4423442780971527
Oc1ccc(cc1)Cl,0.4501450657844544
Oc1ccc(cc1)Cc1ccccc1O,0.4434968531131744
Oc1ccc(cc1)C1(OC(=O)c2c1cccc2)c1ccc(cc1)O,0.3705919682979584
Oc1ccc(cc1)Nc1ccc2c(c1)cccc2,0.6095818281173706
Oc1ccc(cc1)Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],0.6063138246536255
Oc1ccc(cc1)Nc1c2ccccc2nc2c1cccc2,0.7088605761528015
Oc1ccc(cc1)O,0.4574075639247894
Oc1ccc(cc1)S(=O)(=O)c1ccc(cc1)O,0.5082134008407593
Oc1ccc(cc1)[C@@H]1CC(=O)c2c(O1)cc(cc2O)O,0.40178528428077703
Oc1ccc(cc1)[N+](=O)[O-],0.5131132602691649
Oc1ccc(cc1)c1ccc(cc1)O,0.5503517985343933
Oc1ccc(cc1)c1cc(=O)c2c(o1)cc(cc2O)O,0.4758152961730957
Oc1ccc(cc1)c1ccccc1,0.4838306307792664
Oc1ccc(cc1)c1ccc(cc1C)N,0.5129214525222778
Oc1ccc(cc1)c1coc2c(c1=O)ccc(c2)O,0.4840196669101715
Oc1ccc(cc1)c1oc2cc(O)cc(c2c(=O)c1O)O,0.5055621862411499
Oc1ccc(cc1Cc1cc(Cl)ccc1O)Cl,0.4001387059688568
Oc1ccc(cc1N)S(=O)(=O)C,0.567662239074707
Oc1ccc(cc1N)S(=O)(=O)O,0.4630804061889648
Oc1ccc(cc1O)C(C)(C)C,0.4314114153385161
Oc1ccc(cc1Sc1cc(Cl)ccc1O)Cl,0.3394128084182739
Oc1ccc(nn1)O,0.1895093768835068
Oc1ccc(cc1)C1Oc2c3C1C(=O)N1CCCCNCCCNC(c(c3)cc2)CC(=O)NCCC1,0.4537366926670074
Oc1ccc2-c3c(Cc2c1)cc(cc3)[N+](=O)[O-],0.6327871084213257
Oc1ccc2-c3c4c(-c2c1)ccc(c4ccc3)[N+](=O)[O-],0.7875117063522339
Oc1ccc2-c3c4c(-c2c1)cc1ccccc1c4cc1c3cccc1,0.6897329092025757
Oc1ccc2-c3c4c(-c2c1)cc1cccc2c1c4c(cc3)cc2,0.6365249156951904
Oc1ccc2-c3c4c(-c2c1)cccc4c(cc3)[N+](=O)[O-],0.7955821752548218
Oc1ccc2-c3c4c(-c2c1)ccc1c4c2c(c3)cccc2cc1,0.7202662825584412
Oc1ccc2c(-c3ccc(c4c3c(C2=O)ccc4)O)c1,0.5194280743598938
Oc1ccc2-c3ccc(c4c3[C@@]([C@H]3c2c1C(=O)[C@@H]1O[C@H]31)(O)C=CC4=O)O,0.4799448847770691
Oc1ccc2-c3ccc(c4c3C(C3c2c1C(=O)C1OC31)(O)CCC4=O)O,0.5280973315238953
Oc1ccc2c(c1)C(=O)c1c(C2=O)cc(cc1)O,0.5456613302230835
Oc1ccc2c(c1)CCC1C2CCC2(C1CC(C2O)O)C,0.508639395236969
Oc1ccc2c(c1)CC[C@@H]1[C@H]2CC[C@]2([C@@H]1CC[C@@H]2O)C,0.4370751976966858
Oc1ccc2c(c1)OCO2,0.5142847895622253
Oc1ccc2c(c1)CCC1C2CC[C@]2([C@]31CC[C@@]2([C@@H](C3)O)O)C,0.5269199609756471
Oc1ccc2c(c1)CC[C@@H]1[C@H]2CC[C@]2([C@H]1C[C@H]([C@@H]2O)O)C,0.4934365153312683
Oc1ccc2c(c1)[nH]c1c2CCN=C1C.Cl,0.609354555606842
Oc1ccc2c(c1)[nH]c1c2ccnc1C,0.6489174365997314
Oc1ccc2c(c1)Oc1c(C32OC(=O)c2c3cccc2)ccc(c1)O,0.41463702917099
Oc1ccc2c(c1)Oc1c(C32OC(=O)c2c3cccc2)ccc(c1)O.[Na+].[Na+],0.39753127098083496
Oc1ccc2c(c1)c(N)c1c(n2)cccc1,0.7238476872444153
Oc1ccc2c(c1)c(cc(c2)S(=O)(=O)O)S(=O)(=O)O.[Na+].[Na+],0.4355046153068543
Oc1ccc2c(c1)c1c(C)c(N)cc(c1[nH]2)C,0.5994747877120972
Oc1ccc2c(c1)c(cc(c2)S(=O)(=O)O)S(=O)(=O)O,0.479263961315155
O[C@@H]1[C@@H](O[C@@H]2O[C@H](C(=O)O)[C@H]([C@@H]([C@H]2O)O)O)[C@H](O[C@@H]([C@H]1O)C(=O)O)O[C@H]1CC[C@]2([C@H](C1(C)C)CC[C@@]1([C@@H]2C(=O)C=C2[C@@]1(C)CC[C@@]1([C@H]2C[C@](C)(CC1)C(=O)O)C)C)C.N,0.4058381021022797
Oc1ccc2c(c1)c1c([nH]2)c(C)cc(c1C)[N+](=O)[O-],0.6087990999221802
Oc1ccc2c(c1)c1c(cc2)[nH]c2c1c1ccccc1cc2,0.7033697366714478
Oc1ccc2c(c1)c1c(cc2)c(C)cc2c1nc([nH]2)C,0.6152375340461731
Oc1ccc2c(c1)c1c(cc2)[nH]c2c1c1ccccc1c(c2)[N+](=O)[O-],0.7600138187408447
Oc1ccc2c(c1)c1c(cc2)ccc2c1CCN2C,0.739101231098175
Oc1ccc(cc1)/N=N/c1ccc(cc1)c1ccc(cc1)/N=N/c1c(O)c2c(cc1S(=O)(=O)O)cc(c(c2N)/N=N/c1ccc(cc1)[N+](=O)[O-])S(=O)(=O)O,0.5836676359176636
Oc1ccc2c(c1)c1c(cc2)ccc2c1ccn2C,0.6602009534835815
Oc1ccc2c(c1)c1c(cc2)ccc2c1n(C)cc2,0.671021580696106
Oc1ccc(cc1)/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.[Na+].[Na+],0.5423895120620728
Oc1ccc2c(c1)c1c(cc2)ccc2c1nc([nH]2)C,0.6655707359313965
Oc1ccc2c(c1)c1c(cc2)ccc2c1n(C)c(n2)C,0.5943349599838257
Oc1ccc2c(c1)c1c(cc2)ccc2c1oc(n2)C,0.6194220185279846
Oc1ccc2c(c1)c1c(cc2)ccc2c1nc(n2C)C,0.6077473759651184
Oc1ccc2c(c1)c1ccc3c(c1cc2)cccc3,0.7518130540847778
Oc1ccc2c(c1)c1ccccc1c1c2cc2ccccc2c1,0.680267870426178
Oc1ccc2c(c1)c1cc3ccccc3cc1c1c2cccc1,0.7035080790519714
Oc1ccc2c(c1)cc1c3c2ccc2c3c(cc1)ccc2,0.6943299770355225
Oc1ccc2c(c1)c1ccc3c4c1c(c2)ccc4ccc3,0.7304965853691101
Oc1ccc2c(c1)cc[nH]2,0.437106192111969
Oc1ccc2c(c1)cccc2,0.5600849986076355
Oc1ccc2c(c1)cc1c(c2)c2ccccc2c2c1cccc2,0.7484383583068848
Oc1ccc2c(c1)ccc(c2)SSc1ccc2c(c1)ccc(c2)O,0.6210044026374817
Oc1ccc2c(c1)cccc2O,0.594831645488739
Oc1ccc2c(c1)ccc1c2ccc2c1cccc2,0.740878701210022
Oc1ccc(cc1)N=Nc1ccc(cc1)c1ccc(cc1)N=Nc1c(N)c2c(cc1S(=O)(=O)O)cc(c(c2O)N=Nc1ccccc1)S(=O)(=O)O,0.552055299282074
Oc1ccc2c(c1)nccc2,0.5057617425918579
Oc1ccc2c(c1)nc([nH]2)N,0.5100327730178833
Oc1ccc2c(c1)cccc2S(=O)(=O)O,0.5047776103019714
Oc1ccc2c(c1)ccc1c2c2c([nH]1)ccc1c2cccc1,0.6644057035446167
Oc1ccc2c(c1)nc(n2C)N,0.5341957211494446
Oc1ccc2c(c1)cccn2,0.4987765252590179
Oc1ccc2c(c1)oc(=O)cc2C,0.4611509740352631
Oc1ccc2c(c1)oc(=O)c1c2oc2c1ccc(c2)O,0.4485653340816498
Oc1ccc2c(c1/N=N/c1ccc(cc1)S(=O)(=O)O)cccc2,0.5823218822479248
Oc1ccc2c(c1/N=N/c1ccccc1)c(cc(c2)S(=O)(=O)O)S(=O)(=O)O,0.5263112187385559
Oc1ccc2c(c1/N=N/c1ccc(cc1)S(=O)(=O)O)ccc(c2)S(=O)(=O)O.[Na+].[Na+],0.5407654643058777
Oc1ccc2c(c1/N=N/c1ccccc1)ccc(c2)S(=O)(=O)O,0.5804081559181213
Oc1ccc2c(c1/N=N/c1ccc(c3c1cccc3)S(=O)(=O)O)c(cc(c2)S(=O)(=O)O)S(=O)(=O)O,0.5026165246963501
Oc1ccc2c(c1/N=N/c1ccc3c(c1S(=O)(=O)O)cccc3)cccc2.[Na+],0.5478683710098267
Oc1ccc2c(c1/N=N/c1ccccc1)cccc2,0.6656472086906433
Oc1ccc2c(c1N)cccc2.Cl,0.6698187589645386
Oc1ccc2c(c1N)cccc2,0.6559789776802063
Oc1ccc2c(c1/N=N/c1ccc(cc1)/N=N/c1ccccc1)cccc2,0.5886289477348328
Oc1ccc2c(c1N=Nc1ccc(c(c1)S(=O)(=O)O)C)cccc2,0.5040366649627686
Oc1ccc2c(c1N=Nc1ccc(cc1)S(=O)(=O)O)cccc2,0.6016023755073547
Oc1ccc2c(c1N=Nc1ccc(cc1)S(=O)(=O)O)c(cc(c2)S(=O)(=O)O)S(=O)(=O)O,0.4731501638889313
Oc1ccc2c(c1N=Nc1ccccc1)ccc(c2)S(=O)(=O)O,0.5911077857017517
Oc1ccc2c(c1N=Nc1ccc3c(c1S(=O)(=O)O)cccc3)cccc2,0.5478683710098267
Oc1ccc2c(c1N=Nc1ccc(cc1)N=Nc1ccccc1)cccc2,0.5930701494216919
Oc1ccc2c(c1N=Nc1ccccc1)cccc2,0.5729619264602661
Oc1ccc2c(n1)ccc1c2nc(n1C)N,0.5377415418624878
Oc1ccc2c(n1)cccc2,0.41439923644065857
Oc1ccc2c(c1N=Nc1ccc(c3c1cccc3)S(=O)(=O)O)c(cc(c2)S(=O)(=O)O)S(=O)(=O)O,0.4226669371128082
Oc1ccc2c(c1O)c(C)c1c(c2)c2ccccc2cc1,0.6159301996231079
Oc1ccc2c3c1ccc1c3c(cc2)c(cc1)[N+](=O)[O-],0.8345540165901184
Oc1ccc2c3c1ccc1c3c(cc2)cc2c1cccc2,0.6650694012641907
Oc1ccc2c3c1ccc1c3c(cc2)ccc1[N+](=O)[O-],0.8433651924133301
Oc1ccc2c3c1-c1ccccc1-c3ccc2[N+](=O)[O-],0.7738611698150635
Oc1cccc(c1)N(C)C,0.5291622877120972
Oc1cccc(c1)Cl,0.31289294362068176
Oc1cccc(c1)/C=N/c1snc2c1cccc2,0.6434008479118347
Oc1ccc2c3c1ccc1c3c(cc2)c2c(c1)cccc2,0.66548091173172
Oc1ccc2c3c1ccc1c3c(c3c2cccc3)c(cc1)[N+](=O)[O-],0.7602574229240417
Oc1cccc(c1)O,0.4434573650360107
Oc1cccc(c1)[N+](=O)[O-],0.5414476990699768
Oc1cccc(c1)Nc1ccccc1,0.5092412829399109
Oc1cccc2c1OC(C2)(C)C,0.420438289642334
Oc1cccc(c1C)O,0.452824592590332
Oc1cccc2c1C(=O)c1ccccc1C2=O,0.4935363233089447
Oc1cccc2c1C(=O)c1c(C2)cccc1O,0.549328625202179
Oc1cccc2c1C(=O)c1cccc(c1C2=O)O,0.5184882879257202
Oc1cccc2c1C(=O)c1c(C2=O)cccc1O,0.5713008046150208
Oc1cccc2c1OC(C2O)(C)C,0.4839652180671692
Oc1cccc2c1c(O)c1c(c2)cccc1O,0.6236968636512756
Oc1cccc2c1c1ccc3c(c1cc2)cccc3,0.631121039390564
Oc1cccc2c1c1cc3ccccc3cc1c1c2cccc1,0.6140729784965515
Oc1cccc2c1c1c(cc2)[nH]c2c1c1ccccc1cc2,0.5890148282051086
Oc1ccc2c(c1N=Nc1ccc(c(c1)S(=O)(=O)O)c1ccc(cc1S(=O)(=O)O)N=Nc1c(O)ccc3c1cccc3)cccc2,0.3562505841255188
Oc1cccc2c1c(cc1c2c2c([nH]1)ccc1c2cccc1)[N+](=O)[O-],0.7109365463256836
Oc1cccc2c1c1ccccc1c1c2cc2ccccc2c1,0.6409514546394348
Oc1cccc2c1cc1c(c2)c2ccccc2c2c1cccc2,0.6558820009231567
Oc1cccc2c1cccc2,0.5163500308990479
Oc1cccc2c1ccc1c2ccc2c1cccc2,0.6618090867996216
Oc1cccc2c1cccn2,0.4532700479030609
Oc1cccc2c1nccc2,0.5840643644332886
Oc1cccc2c1ccc1c2c2c([nH]1)ccc1c2cccc1,0.5618526339530945
Oc1cccc2c1ccc1c2c2c([nH]1)cc(c1c2cccc1)[N+](=O)[O-],0.7263239622116089
Oc1ccccc1Cl,0.4306964278221129
Oc1cccc2c1ccc1c2cc2c3c1C=Cc3ccc2,0.6588528752326965
Oc1ccccc1,0.3958774507045746
Oc1cccc2c1ccc1c2cc2c(n1)ccc1c2cccc1,0.59228515625
Oc1ccccc1/C=N/c1snc2c1cccc2,0.6331585049629211
Oc1ccnc(n1)O,0.31195056438446045
Oc1ccnc2c1cccc2,0.4548130035400391
Oc1ccccc1c1ccccc1,0.4907590746879578
Oc1ccccc1c1nc2c(o1)cccc2,0.4900405406951904
Oc1ccccc1c1ccccc1O,0.4917573928833008
Oc1cnnc(n1)O,0.1397423893213272
Oc1cnc2c(c1)cccc2,0.5025273561477661
Oc1nc2c(C)cccc2nc1O,0.500859797000885
Oc1nc(=O)n(c(=O)n1Cl)Cl.[Na+],0.3617064356803894
Oc1nc2NC(C(n2c(=O)n1)O)(C)C,0.4064013361930847
Oc1nc(O)nc(c1)C(=O)O,0.1548064351081848
Oc1nc(Cl)nc(n1)Cl,0.14104552567005155
Oc1n(/N=C/c2ccccc2)nnc2-c1nc1c2cccc1,0.6902172565460205
Oc1ncc(c(c1)C(F)(F)F)C(=O)O,0.13912831246852875
Oc1ncc(cc1N)c1ccncc1,0.35773009061813354
Oc1ncc(c(n1)O)F,0.4396768510341644
Oc1nc2c(o1)cccc2,0.3621321618556976
Oc1ncc(cc1S(=O)(=O)C)C(F)(F)F,0.4067310690879822
Oc1ncnc(c1)O,0.2054499387741089
Oc1n(/N=C/c2ccc(cc2)c2ccccc2)nnc2-c1nc1c2cccc1,0.563039243221283
Oc1ncnc2c1cccc2,0.4928883612155914
Oc1nncc2c1cccc2,0.3628498911857605
Oc1ncnc(n1)O,0.32141542434692383
Oc1nnc(c(n1)O)C,0.18720950186252594
Oc1ncc2c3c1ccc1c3c(cc2)ccc1,0.6670411229133606
S(Cc1ccccc1)Cc1ccccc1,0.5668511986732483
On1nnc2c1cccc2,0.5994023084640503
On1nnc2c1cccc2.O,0.6740131974220276
S(Cc1ccccc1)SCc1ccccc1,0.7637306451797485
Oc1nsc2c1cccc2,0.47392392158508295
S1CCSCC1,0.26136952638626104
S=C(NC1CCCCC1)NC1CCCCC1,0.3281502723693848
S=C=NCCc1ccccc1,0.5861503481864929
S=C1NCCN1,0.4438168406486511
S=C=Nc1ccc(cc1)Nc1ccc(cc1)[N+](=O)[O-],0.7559497356414795
S=C1SSC2=NCCN12,0.5029557943344116
S=C(Nc1ccccc1)Nc1ccccc1,0.44897323846817017
S=C=Nc1cccc2c1cccc2,0.5225706100463867
S=C=Nc1ccc(cc1)Oc1ccc(cc1)[N+](=O)[O-],0.5803871750831604
SC(=N/C=C/N=C(S)S)S,0.3656423389911652
SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N,0.31140369176864624
S=c1scc(s1)c1ccccc1,0.342196524143219
S=c1ssc(c1C)c1cnccn1,0.312436580657959
S=P(N1CC1)(N1CC1)N1CC1,0.5157932043075562
SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N,0.26021018624305725
SCC(C(=O)O)NC(=O)C(SC)(C)C,0.13460859656333926
SCC(C(=O)O)NC(=O)C(S)(C)C,0.1392747163772583
SCCC(=O)N1[C@@H](CS[C@H]1c1ccccc1O)C(=O)O,0.20905771851539606
SCCc1cnccn1,0.181966632604599
SCCC(=O)N1C(CSC1c1ccccc1O)C(=O)O,0.19341245293617249
SCc1ccccc1,0.3161524534225464
SC[C@H]([C@@H]1CC[C@H]([C@@H](C1)S)C)C,0.09756232798099518
SC[C@@H](C(=O)O)NC(=O)C(SC)(C)C,0.1997108459472656
SC[C@@H](C(=O)O)NC(=O)C,0.29331088066101074
SC[C@@H](C(=O)O)NC(=O)C(S)(C)C,0.1392747163772583
Sc1ccc(cc1)[N+](=O)[O-],0.6029015779495239
Sc1[nH]cnc2-c1ncn2,0.3841722905635834
Sc1ncnc2c1[nH]cn2.O,0.33750784397125244
Sc1nc2c([nH]1)cccc2,0.34808117151260376
Sc1ccccc1,0.25645843148231506
Sc1nc2c(s1)cccc2,0.4252308309078217
Sc1ncc(c(n1)O)C,0.1674952208995819
Sc1ncnc2c1[nH]cn2,0.3591926991939545
[CH-]1Nc2c(C(=N)[N+]1=O)ncn2C,0.5787514448165894
[CH-]1N=c2c(=C([N+]1=O)N)ncn2C,0.7040822505950928
[N-]=[N+]=CC(=O)OC[C@@H](C(=O)O)N,0.5268626213073729
[N-]=[N+]=NCC(C(=O)O)(N)C,0.5127794146537781
[CH2]OC1C(=C(O)C=C([C]1C(=O)c1c(OC)ncc(c1C)Cl)C)OC,0.3172341287136078
[N-]=[N+]=CC(=O)NCC(=O)NN,0.5715465545654297
[N-]=[N+]=CC(=O)NCC(=O)N,0.6078798174858093
[N-]=[N+]=C1C=NC(=O)NC1=O,0.4091108441352844
[N-]=[N+]=NCCc1ccccc1,0.6517472267150879
[N-]=[N+]=NC[C@@H](CO)O,0.5850681662559509
S=c1c2cc3OCCOCCOCCOCCOCCOCCOc4cc1c(n(c2cc3)C)cc4,0.5446752309799194
[N-]=[N+]=NCCC(C(=O)O)N,0.4725021719932556
[N-]=[N+]=NCc1ccccc1,0.7512869238853455
[N-]=[N+]=Nc1ccc(c(c1)[N+](=O)[O-])F,0.643081784248352
[N-]=[N+]=NC[C@H](C(=O)O)N,0.5552287101745605
[N-]=[N+]=NC[C@H](Cn1cnc2c1ncnc2N)O,0.603317379951477
[N-]=[N+]=Nc1ccc(cc1)Nc1c2ccccc2nc2c1cccc2,0.9012416005134584
[N-]=[N+]=Nc1ccc2c(c1)nc1c(c2Nc2ccc(cc2)C(=O)O)cccc1,0.6182136535644531
[N-]=[N+]=Nc1ccc2c(c1)c(Nc1ccc(cc1)NS(=O)(=O)C)c1c(n2)cccc1,0.7948039174079895
[O-]/[N+](=N\c1ccc(c(c1)Cl)Cl)/c1ccc(c(c1)Cl)Cl,0.6039823889732361
[O-]/[N+](=N\c1ccc(c(c1)N)C)/c1ccc(c(c1)N)C,0.5743502378463745
[O-]/[N+](=N\c1ccccc1)/c1ccccc1,0.63027423620224
[O-]C(=O)C(CCP(=O)(O)C)N.[NH4+],0.4308034479618073
[N-]=[N+]=Nc1ccc2c(c1)nc1c(c2Nc2ccc(cc2OC)NS(=O)(=O)C)cccc1C,0.8750051259994507
[O-]C(=O)Cc1cccc2c1cccc2.[Na+],0.5271753072738647
[N-]=[N+]=Nc1ccc2c(c1)nc1c(c2Nc2ccc(cc2OC)NS(=O)(=O)C)cccc1,0.6857441663742065
[O-]/[N+](=N\c1ccc(c(c1)[N+](=O)[O-])C)/c1ccc(c(c1)[N+](=O)[O-])C,0.5906620025634766
[O-]P(=O)(OC)O,0.339942991733551
[O-][N+](=Nc1ccc(c(c1)N)C)c1ccc(c(c1)N)C,0.6205040216445923
[O-][N+](=Nc1ccc(c(c1)Cl)Cl)c1ccc(c(c1)Cl)Cl,0.6680718660354614
[O-]/[N+](=N\c1ccc2-c3c(Cc2c1)cccc3)/c1ccc2-c3c(Cc2c1)cccc3,0.7686432600021362
[O-][N+](=Nc1cc(cc(c1C)[N+](=O)[O-])[N+](=O)[O-])c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])C,0.8092582821846008
[O-][N+](=Nc1ccc(c(c1)[N+](=O)[O-])C)c1ccc(c(c1)[N+](=O)[O-])C,0.6546481847763062
[O-][N+](=Nc1ccccc1)c1ccccc1,0.6369653940200806
[O-][N+](=Nc1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])C)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])C,0.7858263850212097
[O-][N+](=O)/C=C/c1ccc(o1)[N+](=O)[O-],0.5273569822311401
[O-][N+](=O)/C=C/c1ccco1,0.6170217394828796
[O-][N+](=O)/C=C/c1ccccc1,0.5796934962272644
[O-][N+](=O)/N=C/1\NCCN1Cc1ccc(nc1)Cl,0.4159560203552246
[O-][N+](=O)C(C(O)C)C,0.3832152485847473
[O-][N+](=O)C([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-],0.6855853796005249
[O-][N+](=O)C(CC)CCOCN1C=CN(C1/C=N/O)C,0.5880764126777649
[O-][N+](=O)/N=C\1/N(Cc2cnc(s2)Cl)COCN1C,0.3769872784614563
[O-][N+](=O)C1=Cc2c3c(O1)cccc3ccc2,0.7005671262741089
[O-][N+](=O)C1=Cc2c3c1cccc3ccc2,0.9033042788505554
[O-][N+](=O)C1=Cc2c3c1cccc3c1c(c2)cc2c(c1)cccc2,0.8361293077468872
[O-][N+](=Nc1ccc2-c3c(Cc2c1)cccc3)c1ccc2-c3c(Cc2c1)cccc3,0.7883056402206421
[O-][N+](=O)C1=Cc2c3c1cc1cc4ccccc4cc1c3ccc2,0.9166553616523744
[O-][N+](=O)C1=Cc2c3c1cc1cccc4c1c3c(cc2)cc4,0.9536374807357788
[O-][N+](=O)C1=Cc2c3c1cccc3cc1c2c2ccccc2cc1,0.8636511564254761
[O-][N+](=O)C1CCCC1,0.6199905872344971
[O-][N+](=O)C1=Cc2c3c1cccc3cc1c2ccc2c1cccc2,0.8869187235832214
[O-][N+](=O)CCC,0.3219587504863739
[O-][N+](=O)CCC(=O)O,0.3281319737434387
[O-][N+](=O)CC,0.38296326994895935
[O-][N+](=O)C1c2ccccc2C(=O)c2c1cccc2,0.7419134974479675
[O-][N+](=O)NC(=N)N(N=O)CCCCC,0.6884945034980774
[O-][N+](=O)NC(=N)N(N=O)CCC,0.6517118811607361
[O-][N+](=O)NC(=N)N(N=O)CCCC,0.586165189743042
[O-][N+](=O)CCO,0.4411439299583435
[O-][N+](=O)N(C(=N)NN=O)CCC,0.5655111074447632
[O-][N+](=O)NC(=N)NC,0.43137770891189575
[O-][N+](=O)NC(=N)N(N=O)CCCCCC,0.5901838541030884
[O-][N+](=O)NC1=NC(CN1Cc1ccc(nc1)Cl)O,0.3940975666046143
[O-][N+](=O)Nc1nccn1Cc1ccc(nc1)Cl,0.3723313212394713
[O-][N+](=O)OC(CO[N+](=O)[O-])CO[N+](=O)[O-],0.5009682178497314
[O-][N+](=O)NC,0.4930431842803955
[O-][N+](=O)NC1=NCC(N1Cc1ccc(nc1)Cl)O,0.3141377568244934
[O-][N+](=O)[C@@H](CC)Cl,0.5167460441589355
[O-][N+](=O)[C@@H](CC)C,0.4672435820102692
[O-][N+](=O)OCCN([N+](=O)[O-])C,0.7253915071487427
[O-][N+](=O)O[C@@H]1CO[C@H]2[C@@H]1OC[C@@H]2O[N+](=O)[O-],0.685455858707428
[O-][N+](=O)[C@@H](CO)C,0.4659322202205658
[O-][N+](=O)OCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-],0.5097240805625916
[O-][N+](=O)OOC(=O)C,0.4801975190639496
[O-][N+](=O)O[C@@H]1CO[C@H]2[C@@H]1OC[C@H]2O,0.6858583092689514
[O-][N+](=O)[CH-]CCC,0.4081275463104248
[O-][N+](=O)[CH-]CCCC,0.4220388829708099
[O-][N+](=O)[CH-]C,0.4188265800476074
[O-][N+](=O)c1[nH]cnc1c1ccccc1,0.7416315674781799
[O-][N+](=O)c1c(C)c([N+](=O)[O-])c(c(c1C(C)(C)C)[N+](=O)[O-])C,0.5777993202209473
[O-][N+](=O)c1c(C)c(cc2c1C(C)(C)CC2(C)C)[N+](=O)[O-],0.4211899638175965
[O-][N+](=O)c1c(C)cccc1C,0.7018070220947266
[O-][N+](=O)c1c(C)c(C(=O)C)c(c(c1C(C)(C)C)[N+](=O)[O-])C,0.44153746962547297
[O-][N+](=O)c1c(C)cccc1C(=O)O,0.3778414130210877
[O-][N+](=O)c1c(C)ccc2c1cccc2,0.7801888585090637
[O-][N+](=O)c1c(C)cc(c2c1nsn2)C,0.6992664933204651
[O-][N+](=O)c1c(C)cccc1[N+](=O)[O-],0.6536337733268738
[O-][N+](=O)c1c(N)ccc2c1c1ccccc1[nH]2,0.8519690632820129
[O-][N+](=O)c1c(N)ccc2c1[nH]c1c2cccc1,0.7800403833389282
[O-][N+](=O)c1c(O)cccc1[N+](=O)[O-],0.599082350730896
[O-][N+](=O)c1c(N)cccc1O,0.5350261926651001
[O-][N+](=O)c1c(O)c(Cl)cc(c1Cl)Cl,0.4848325848579407
[O-][N+](=O)c1c(Cl)c(Cl)c2c(c1Cl)Oc1c(O2)c(Cl)c(cc1)Cl,0.6806005239486694
[O-][N+](=O)c1c(O)ccc2c1cccc2,0.6928280591964722
[O-][N+](=O)c1c(O)ccc2c1[nH]c1c2cccc1,0.7533307075500488
[O-][N+](=O)c1c(O)cc2-c3c(-c4c2c1ccc4)cccc3,0.8165489435195923
[O-][N+](=O)c1c(nc2n1CCS2)c1ccc(cc1)[N+](=O)[O-],0.6419671773910522
[O-][N+](=O)c1c(nc2n1ccs2)c1ccc(cc1)[N+](=O)[O-],0.8470084071159363
[O-][N+](=O)c1c(cc2c3c1-c1ccccc1-c3ccc2)[N+](=O)[O-],0.931900680065155
[O-][N+](=O)c1c2C=CCCc2c2c3c1ccc1c3c(cc2)ccc1,0.8526664972305298
[O-][N+](=O)c1c2CCCCc2c2c3c1ccc1c3c(cc2)ccc1,0.8115207552909851
[O-][N+](=O)c1c2CCC=Cc2c2c3c1ccc1c3c(cc2)ccc1,0.8332034945487976
[O-][N+](=O)c1c2[nH]c3c(c2cc(c1O)[N+](=O)[O-])cccc3,0.778311014175415
[O-][N+](=O)c1c2ccccc2c(c2c1cccc2)[N+](=O)[O-],0.9317926168441772
[O-][N+](=O)c1c2ccc3c(c2cc2c1cccc2)cccc3,0.8644552230834961
[O-][N+](=O)c1c2ccc3c4c2c(c2c1cccc2)ccc4ccc3,0.9097896814346312
[O-][N+](=O)c1cc(Br)c(c(c1)[N+](=O)[O-])N,0.6451819539070129
[O-][N+](=O)c1c2ccccc2c2c(c1C)c1ccccc1cc2,0.781214714050293
[O-][N+](=O)c1c2ccccc2cc2c1cccc2,0.9394478797912598
[O-][N+](=O)c1cc(C)c(c(c1)[N+](=O)[O-])C,0.6274145245552063
[O-][N+](=O)c1cc(C(=O)O)c(c2c1C(=O)c1ccccc1C2=O)N,0.5168501138687134
[O-][N+](=O)c1cc(C)c2c(c1)cccc2,0.8921239972114563
[O-][N+](=O)c1cc(C)c(c(c1)[N+](=O)[O-])O,0.5397126078605652
[O-][N+](=O)c1c2ccccc2c2c3c1CCc1c3c(cc2)ccc1,0.8595916032791138
[O-][N+](=O)c1cc(Cl)c(c(c1)Cl)N,0.6401539444923401
[O-][N+](=O)c1cc(Cl)c(c(c1)[N+](=O)[O-])N,0.6291143894195557
[O-][N+](=O)c1cc(Cl)c(c(c1)Cl)Cl,0.4840136170387268
[O-][N+](=O)c1cc(C)c2c(c1C)c1cc(ccc1[nH]2)C(=O)C,0.6785444617271423
[O-][N+](=O)c1c2ccccc2c2c3c1ccc1c3c(cc2)c(cc1)[N+](=O)[O-],0.8421017527580261
[O-][N+](=O)c1c2ccccc2c2c3c1ccc1c3c(cc2)ccc1[N+](=O)[O-],0.9457693099975586
[O-][N+](=O)c1cc(N)c(c(c1)S(=O)(=O)O)O,0.5221642255783081
[O-][N+](=O)c1cc(N)c(c(c1)[N+](=O)[O-])C,0.685873806476593
[O-][N+](=O)c1cc(N)c(c(c1)N)C,0.5750325918197632
[O-][N+](=O)c1cc(O)c(cc1Cl)N,0.6967151761054993
[O-][N+](=O)c1cc(N)c(c(c1)[N+](=O)[O-])O,0.651039719581604
[O-][N+](=O)c1cc(O)c(c(c1)[N+](=O)[O-])C,0.5747631788253784
[O-][N+](=O)c1cc(N=[N+](c2cc(cc(c2C)[N+](=O)[O-])[N+](=O)[O-])[O-])c(c(c1)[N+](=O)[O-])C,0.7404513955116272
[O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])O,0.6334189176559448
[O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])Cl,0.6340710520744324
[O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1O)[N+](=O)[O-])O,0.6037783622741699
[O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])C,0.7896296381950378
[O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1C)[N+](=O)[O-])N,0.7114880084991455
[O-][N+](=O)c1cc([N+](=O)[O-])c2c(c1O)cc(cc2)S(=O)(=O)O,0.4636264741420746
[O-][N+](=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-],0.755304217338562
[O-][N+](=O)c1cc(cc(c1Cl)[N+](=O)[O-])C(F)(F)F,0.4689468443393707
[O-][N+](=O)c1cc(cc(c1O)[N+](=O)[O-])C(F)(F)F,0.5226122140884399
[O-][N+](=O)c1cc([N+](=O)[O-])c2c3c1-c1ccccc1-c3ccc2,0.9314830899238586
[O-][N+](=O)c1cc(cc(c1Nc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],0.838566780090332
[O-][N+](=O)c1cc(cc(c1c1ccccc1)[N+](=O)[O-])[N+](=O)[O-],0.6857242584228516
[O-][N+](=O)c1cc([N+](=O)[O-])c2c3c1ccc1c3c(cc2)ccc1,0.9441466331481934
[O-][N+](=O)c1cc([N+](=O)[O-])c2c3c1c1ccccc1c1c3c(cc2)ccc1,0.8553496599197388
[O-][N+](=O)c1cc(ccc1C(=O)O)[N+](=O)[O-],0.4856027960777282
[O-][N+](=O)c1cc(cc2c1cccc2)[N+](=O)[O-],0.8395926356315613
[O-][N+](=O)c1cc(ccc1C)C(=O)O,0.4205992817878723
[O-][N+](=O)c1cc(ccc1Cl)C(=O)O,0.3289768695831299
[O-][N+](=O)c1cc(ccc1Cl)NS(=O)(=O)c1cccc2c1nccc2,0.454610675573349
[O-][N+](=O)c1cc(ccc1N)c1ccc(c(c1)[N+](=O)[O-])N,0.6225646734237671
[O-][N+](=O)c1cc(ccc1Cl)C(F)(F)F,0.5956446528434753
[O-][N+](=O)c1cc(ccc1N=Nc1c(O)ccc2c1cccc2)[N+](=O)[O-],0.8080242872238159
[O-][N+](=O)c1cc([N+](=O)[O-])c2c3c1c1CCCCc1c1c3c(cc2)ccc1,0.7881332039833069
[O-][N+](=O)c1cc(ccc1O)c1ccccc1,0.5560699701309204
[O-][N+](=O)c1cc(ccc1Nc1ccc(c(c1)S(=O)(=O)O)Nc1ccccc1)[N+](=O)[O-].[Na+],0.536453366279602
[O-][N+](=O)c1cc(ccc1O)c1cccc(c1O)[N+](=O)[O-],0.5927997827529907
[O-][N+](=O)c1cc(ccc1Nc1ccccc1O)[N+](=O)[O-],0.7922934293746948
[O-][N+](=O)c1cc(ccc1[N+](=O)[O-])C(=O)O,0.3790304362773895
[O-][N+](=O)c1cc(ccc1O)c1ccc(c(c1)[N+](=O)[O-])O,0.5130076408386229
[O-][N+](=O)c1cc(ccc1S(=O)(=O)O)[N+](=O)[O-],0.4943809509277344
[O-][N+](=O)c1cc(ccc1c1ccccc1)[N+](=O)[O-],0.5940617322921753
[O-][N+](=O)c1cc(ccc1c1ccc(cc1)[N+](=O)[O-])[N+](=O)[O-],0.8673003911972046
[O-][N+](=O)c1cc(ccc1c1cccc(c1)[N+](=O)[O-])[N+](=O)[O-],0.7614009976387024
[O-][N+](=O)c1cc(ccc1c1ccccc1[N+](=O)[O-])[N+](=O)[O-],0.8607222437858582
[O-][N+](=O)c1cc(ccc1c1ccc(c(c1)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],0.7772313952445984
[O-][N+](=O)c1cc(ccc1c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],0.8755415081977844
[O-][N+](=O)c1cc(ccc1n1cnc2c1ncnc2N)[N+](=O)[O-],0.8343574404716492
[O-][N+](=O)c1cc(n(c1C(=O)C)[N+](=O)[O-])[N+](=O)[O-],0.5066498517990112
[O-][N+](=O)c1cc2CCc3c4c2c(c1)ccc4cc(c3)[N+](=O)[O-],0.96012943983078
[O-][N+](=O)c1cc2CCc3c4-c2c(c1)CCc4ccc3,0.8559144139289856
[O-][N+](=O)c1cc2[nH]c3c(c2cc1N)cccc3,0.8930344581604004
[O-][N+](=O)c1cc2CCc3c4c2c(c1)ccc4ccc3,0.9502531886100768
[O-][N+](=O)c1cc2c(C(C(=O)OCC)C#N)snc2cc1,0.418127715587616
[O-][N+](=O)c1cc2CCc3c4-c2c(c1)CCc4cc(c3)[N+](=O)[O-],0.8860986828804016
[O-][N+](=O)c1cc2c(cc1)ncn2C,0.8272323608398438
[O-][N+](=O)c1cc2CCc3c4-c2c(c1)CCc4cc1c3CCCC1,0.777201771736145
[O-][N+](=O)c1cc2c(Cl)nsc2cc1,0.7463339567184448
[O-][N+](=O)c1cc2c(N)snc2cc1,0.9064993858337402
[O-][N+](=O)c1cc2c(c3c1cccc3)ccc1c2cccc1,0.8495176434516907
[O-][N+](=O)c1cc2[nH]c3c(c2c2c1cccc2)c1ccccc1c(c3)[N+](=O)[O-],0.948486626148224
[O-][N+](=O)c1cc2c(O)cccc2c2c1c(cc1c2OCO1)C(=O)O,0.5036255121231079
[O-][N+](=O)c1cc2c(cc1O)[nH]c1c2cccc1,0.7620753645896912
[O-][N+](=O)c1cc2c(cc1N)[nH]c1c2cccc1,0.8161880373954773
[O-][N+](=O)c1cc2c(cccc2c2c1cccc2[N+](=O)[O-])[N+](=O)[O-],0.8877366781234741
[O-][N+](=O)c1cc2c3ccccc3sc2c2c1cccc2,0.902849018573761
[O-][N+](=O)c1cc2cc(cc(c2c(c1)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],0.9054831266403198
[O-][N+](=O)c1cc2c(snc2cc1)C(C(=O)OCC)(C#N)C,0.5007530450820923
[O-][N+](=O)c1cc2cc(ccc2c2c1cccc2)[N+](=O)[O-],0.8873826265335083
[O-][N+](=O)c1cc2c(o1)cc1c3c2ccc2c3c(cc1)ccc2,0.8702797889709473
[O-][N+](=O)c1cc2c3cc(nc(c3[nH]c2c(c1)[N+](=O)[O-])C)[N+](=O)[O-],0.7080066800117493
[O-][N+](=O)c1cc2ccc3c4c2c(c1O)ccc4ccc3,0.8027346730232239
[O-][N+](=O)c1cc2cccc(c2c2c1cccc2)[N+](=O)[O-],0.8595710992813109
[O-][N+](=O)c1cc2ccc3c4c2c(c1)ccc4ccc3,0.941903293132782
[O-][N+](=O)c1cc2ccc3c4c2c(c1)ccc4cc(c3)[N+](=O)[O-],0.9342253804206848
[O-][N+](=O)c1cc2ccc3c4c2c(c1)ccc4cc1c3cccc1,0.9478774070739746
[O-][N+](=O)c1cc2cccc3-c4c(-c(c1)c23)cccc4,0.9273861646652222
[O-][N+](=O)c1cc2ccccc2c2c1cccc2,0.8589136004447937
[O-][N+](=O)c1cc2ccccc2c2c1c(ccc2)[N+](=O)[O-],0.8738092184066772
[O-][N+](=O)c1cc2cccc3c2c2c1cccc2c1c3CCCC1,0.8418625593185425
[O-][N+](=O)c1cc2ccccc2c2c1cc(cc2)[N+](=O)[O-],0.9384986758232116
[O-][N+](=O)c1cc2cccc3c2c2c1cccc2cc3,0.8400969505310059
[O-][N+](=O)c1cc2ccccc2c2c1c(cc1c2OCO1)C(=O)O,0.6130717992782593
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[O-][N+](=O)c1cc2ccccc2cc1C,0.8815796971321106
[O-][N+](=O)c1ccc(c(c1)C(=O)O)C,0.4154101312160492
[O-][N+](=O)c1cc2cccc3c2c2c1cccc2c1c3cccc1,0.9574546813964844
[O-][N+](=O)c1cc[n+](c2c1cccc2)[O-],0.7334443926811218
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[O-][N+](=O)c1cc2ccccc2c2c1cccc2[N+](=O)[O-],0.9238964319229126
[O-][N+](=O)c1ccc(c(c1)Cl)Cl,0.5406861901283264
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[O-][N+](=O)c1ccc(c(c1)N)N,0.6511488556861877
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[O-][N+](=O)c1ccc(c(c1)S(=O)(=O)O)C,0.4977275729179382
[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])F,0.658593475818634
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[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])O,0.6014829874038696
[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])N,0.7219843864440918
[O-][N+](=O)c1ccc(c(c1C)[N+](=O)[O-])C,0.7443945407867432
[O-][N+](=O)c1ccc(cc1)/C=N/c1snc2c1cccc2,0.7007139325141907
[O-][N+](=O)c1ccc(c2c1cccc2)C,0.8293863534927368
[O-][N+](=O)c1ccc(c(c1Cl)Cl)Cl,0.349907785654068
[O-][N+](=O)c1ccc(cc1)/C=C/c1ccccc1,0.6720540523529053
[O-][N+](=O)c1ccc(cc1)/C=C/c1cccc(c1)[N+](=O)[O-],0.6303426027297974
[O-][N+](=O)c1ccc(cc1)/C=C/c1ccc(cc1)[N+](=O)[O-],0.7612197995185852
[O-][N+](=O)c1ccc(cc1)CNc1[nH]cnc2-c1ncn2,0.5410661101341248
[O-][N+](=O)c1ccc(cc1)COc1ccccc1,0.6432756185531616
[O-][N+](=O)c1ccc(cc1)Cn1cnc2c1ncnc2N,0.5885283350944519
[O-][N+](=O)c1ccc(cc1)N=Nc1ccc(c(c1)C(=O)O)O,0.4651684165000916
[O-][N+](=O)c1ccc(cc1)/C=N/n1nnc2-c(c1O)nc1c2cccc1,0.6116443276405334
[O-][N+](=O)c1ccc(cc1)N=Nc1ccccc1,0.7523781657218933
[O-][N+](=O)c1ccc(cc1)OC[C@@H]1OC1,0.8429366946220398
[O-][N+](=O)c1ccc(cc1)Nc1ccccc1,0.7939325571060181
[O-][N+](=O)c1ccc(cc1)Nc1[nH]cnc2-c1ncn2,0.5678360462188721
[O-][N+](=O)c1ccc(cc1)CN1C2C1c1ccccc1-c1c2cccc1,0.9057982563972472
[O-][N+](=O)c1ccc(cc1)/N=N/c1c(N)c2c(cc1S(=O)(=O)O)cc(c(c2O)/N=N/c1ccccc1)S(=O)(=O)O,0.5710337162017822
[O-][N+](=O)c1ccc(cc1)S(=O)(=O)Nc1ccccn1,0.3926131129264832
[O-][N+](=O)c1ccc(cc1)Oc1ccccc1,0.7261918187141418
[O-][N+](=O)c1ccc(cc1)S(=O)(=O)Cl,0.7702515721321106
[O-][N+](=O)c1ccc(cc1)O[C@@H]1OC1,0.6696141362190247
[O-][N+](=O)c1ccc(cc1)S(=O)(=O)O,0.5031020045280457
[O-][N+](=O)c1ccc(cc1)Nc1ncnc2c1ncn2c1ccc(cc1)[N+](=O)[O-],0.690479576587677
[O-][N+](=O)c1ccc(cc1)N=Nc1c(N)c2c(cc1S(=O)(=O)O)cc(c(c2O)N=Nc1ccccc1)S(=O)(=O)O,0.6106777191162109
[O-][N+](=O)c1ccc(cc1)Sc1ccccc1,0.8404994010925293
[O-][N+](=O)c1ccc(cc1)c1ccc(cc1)C(C)(C)C,0.5180476903915405
[O-][N+](=O)c1ccc(cc1)[C@]1(C)OC1,0.7019049525260925
[O-][N+](=O)c1ccc(cc1)[N+](=O)[O-],0.8005253672599792
[O-][N+](=O)c1ccc(cc1)c1ccc(cc1)[N+](=O)[O-],0.8420621752738953
[O-][N+](=O)c1ccc(cc1)c1ccccc1,0.8809595108032227
[O-][N+](=O)c1ccc(cc1)SSc1ccc(cc1)[N+](=O)[O-],0.7242141366004944
[O-][N+](=O)c1ccc(o1)/C=C(/C(=O)OC)\C#N,0.457567036151886
[O-][N+](=O)c1ccc(o1)/C(=N\O)/N,0.5879915356636047
[O-][N+](=O)c1ccc(o1)/C=C(/C(=O)OC)\C,0.4845220148563385
[O-][N+](=O)c1ccc(o1)/C(=N/O)/N,0.5476754903793335
[O-][N+](=O)c1ccc(cc1)c1nc2-c(c([nH]1)N)ncn2,0.5586534738540649
[O-][N+](=O)c1ccc(o1)/C=C/C(=O)NCC,0.4963531494140625
[O-][N+](=O)c1ccc(o1)/C=C/C(=O)OC,0.5574396848678589
[O-][N+](=O)c1ccc(o1)/C=C/C(=O)OCC,0.5225979089736938
[O-][N+](=O)c1ccc(cc1)n1cnc2c1ncnc2N,0.7823373675346375
[O-][N+](=O)c1ccc(cc1C(C)(C)C)c1ccccc1,0.4950424730777741
[O-][N+](=O)c1ccc(o1)/C=C/C(=O)NC,0.5134895443916321
[O-][N+](=O)c1ccc(o1)/C=C/C(=O)NCCCC,0.4043562412261963
[O-][N+](=O)c1ccc(o1)/C=N/N1CCCNC1=O,0.5178056359291077
[O-][N+](=O)c1ccc(o1)/C=C/C(=O)NCCCCC,0.3768100142478943
[O-][N+](=O)c1ccc(o1)/C=C/C(=O)OCCCC,0.4049123227596283
[O-][N+](=O)c1ccc(o1)/C=C/C(=O)OCCCCC,0.3086438775062561
[O-][N+](=O)c1ccc(o1)/C=C/c1ccc(cc1)C(=O)O,0.34095343947410583
[O-][N+](=O)c1ccc(o1)/C=N/N1CC(NC1=O)C,0.4664771556854248
[O-][N+](=O)c1ccc(o1)/C=N/n1cccn1,0.6645135879516602
[O-][N+](=O)c1ccc(o1)/C=N/c1snc2c1cccc2,0.7126992344856262
[O-][N+](=O)c1ccc(s1)NC(=O)NCCCl,0.6175001859664917
[O-][N+](=O)c1ccc(o1)C(=O)OC,0.5835064053535461
[O-][N+](=O)c1ccc(o1)CNCCO,0.5465866327285767
[O-][N+](=O)c1ccc(o1)c1cscn1,0.7445191144943237
[O-][N+](=O)c1ccc2-c3c(C(=O)c2c1)cccc3,0.9394558072090148
[O-][N+](=O)c1ccc2-c3c(Cc2c1)cc(cc3)[N+](=O)[O-],0.8491744995117188
[O-][N+](=O)c1ccc(s1)c1nc(N2CCOCC2)c2c(n1)cccc2,0.8078664541244507
[O-][N+](=O)c1ccc2-c3c(Cc2c1)cccc3,0.8075157999992371
[O-][N+](=O)c1ccc2-c3c(-c4c2c1c(cc4)[N+](=O)[O-])cccc3,0.9643787145614624
[O-][N+](=O)c1ccc2-c3c(-c4c2c1ccc4)cccc3,0.9741135835647584
[O-][N+](=O)c1ccc2-c3c(-c4c2c1ccc4)cc1c(c3)cccc1,0.9410474896430968
[O-][N+](=O)c1ccc2-c3c(Cc2c1)cccc3[N+](=O)[O-],0.9186593294143676
[O-][N+](=O)c1ccc2-c3c(Cc2c1)cccc3O,0.6750296354293823
[O-][N+](=O)c1ccc2-c3c([C@H](c2c1)O)cccc3,0.7883170247077942
[O-][N+](=O)c1ccc(o1)/C=N/n1c(=O)cc(cc1c1ccccc1)c1ccccc1,0.5265984535217285
[O-][N+](=O)c1ccc2-c3c4c(-c2c1)ccc(c4ccc3)[N+](=O)[O-],0.953353762626648
[O-][N+](=O)c1ccc2-c3ccc(cc3CCc2c1)[N+](=O)[O-],0.6813889741897583
[O-][N+](=O)c1ccc2-c3cc4CCCCc4cc3CCc2c1,0.6009673476219177
[O-][N+](=O)c1ccc2-c3c4c(-c2c1)cccc4ccc3,0.9707828760147096
[O-][N+](=O)c1ccc2-c3ccc4c(c3CCc2c1)CCCC4,0.7975864410400391
[O-][N+](=O)c1ccc2c(-c3ccccc3C2)c1,0.7034469842910767
[O-][N+](=O)c1ccc2-c3c4c(-c2c1)cc1ccccc1c4ccc3,0.9558212161064148
[O-][N+](=O)c1ccc2-c3ccccc3CCc2c1,0.8945857286453247
[O-][N+](=O)c1ccc2c(-c3ccccc3C2=O)c1,0.8407942652702332
[O-][N+](=O)c1ccc2-c3cc4CCc5c(-c4cc3CCc2c1)cccc5,0.8085244297981262
[O-][N+](=O)c1ccc2c(c1)CCN2,0.7638568282127379
[O-][N+](=O)c1ccc2c(c1)CC=C2,0.6625738143920898
[O-][N+](=O)c1ccc2-c3c4c(-c2c1)nc1ccccc1c4c1c(n3)cccc1,0.9092050790786744
[O-][N+](=O)c1ccc2c(c1)Oc1c(O2)cc(cc1)[N+](=O)[O-],0.73651522397995
[O-][N+](=O)c1ccc2c(c1)NCC2,0.8830028772354126
[O-][N+](=O)c1ccc2c(c1)/c(=N/C(=O)c1ccccc1)/sn2C(=O)c1ccccc1,0.4601665139198303
[O-][N+](=O)c1ccc2c(c1)/c(=N/C(=O)c1ccccc1Cl)/sn2C(=O)c1ccccc1Cl,0.4523155093193054
[O-][N+](=O)c1ccc2c(c1)[nH]nc2,0.8304964900016785
[O-][N+](=O)c1ccc2c(c1)Oc1c(O2)ccc(c1)[N+](=O)[O-],0.8827608823776245
[O-][N+](=O)c1ccc2c(c1)/c(=N/C(=O)c1ccccc1[N+](=O)[O-])/sn2C(=O)c1ccccc1[N+](=O)[O-],0.5622990727424622
[O-][N+](=O)c1ccc2c(c1)/c(=N/C(=O)c1ccc(cc1)[N+](=O)[O-])/sn2C(=O)c1ccc(cc1)[N+](=O)[O-],0.722931981086731
[O-][N+](=O)c1ccc2c(c1)Oc1c(O2)cccc1,0.882239043712616
[O-][N+](=O)c1ccc2c(c1)[nH]c1c2cccc1,0.9582112431526184
[O-][N+](=O)c1ccc2c(c1)c(C)ccc2,0.870576024055481
[O-][N+](=O)c1ccc2c(c1)c(=O)[nH][nH]c2=O,0.5254477262496948
[O-][N+](=O)c1ccc2c(c1)c(N)c1c(n2)cccc1,0.9154133796691896
[O-][N+](=O)c1ccc2c(c1)c1c(C)ccc(c1[nH]2)C,0.8389145731925964
[O-][N+](=O)c1ccc2c(c1)c(/C=N/OCc1cccc(c1)[N+](=O)[O-])c(n2Cc1ccccc1)C,0.8384143710136414
[O-][N+](=O)c1ccc2c(c1)c(Cn1cncc1)c(n2Cc1ccccc1)C,0.6972989439964294
[O-][N+](=O)c1ccc2c(c1)c(cc1c2c(ccc1)[N+](=O)[O-])[N+](=O)[O-],0.9014066457748412
[O-][N+](=O)c1ccc2c(c1)c(cc1c2cccc1[N+](=O)[O-])[N+](=O)[O-],0.954623818397522
[O-][N+](=O)c1ccc2c(c1)c1c(cc2)cccc1[N+](=O)[O-],0.8723204731941223
[O-][N+](=O)c1ccc2c(c1)c(/C=N/OCc1ccccc1)c(n2Cc1cccc(c1)[N+](=O)[O-])C,0.7325496673583984
[O-][N+](=O)c1ccc2c(c1)c1c([nH]2)c(C)cc(c1C)[N+](=O)[O-],0.7496172785758972
[O-][N+](=O)c1ccc2c(c1)c1cc(ccc1[nH]2)[N+](=O)[O-],0.875147819519043
[O-][N+](=O)c1ccc2c(c1)c1cc(ccc1cc2)[N+](=O)[O-],0.8544362783432007
[O-][N+](=O)c1ccc2c(c1)c1cc(ccc1o2)[N+](=O)[O-],0.9288956522941588
[O-][N+](=O)c1ccc2c(c1)c1cc([N+](=O)[O-])c(c(c1[nH]2)[N+](=O)[O-])O,0.8060002326965332
[O-][N+](=O)c1ccc2c(c1)c1c(cc2[N+](=O)[O-])cccc1[N+](=O)[O-],0.910281538963318
[O-][N+](=O)c1ccc2c(c1)c1cc(ccc1c(c2)[N+](=O)[O-])[N+](=O)[O-],0.9519580602645874
[O-][N+](=O)c1ccc2c(c1)c1cccc(c1[nH]2)[N+](=O)[O-],0.8474977612495422
[O-][N+](=O)c1ccc2c(c1)c1ccccc1n2C,0.8953685760498047
[O-][N+](=O)c1ccc2c(c1)c1ccccc1[nH]2,0.8208030462265015
[O-][N+](=O)c1ccc2c(c1)c1ccccc1cc2,0.9071820974349976
[O-][N+](=O)c1ccc2c(c1)c1cccc(c1cc2[N+](=O)[O-])[N+](=O)[O-],0.913573920726776
[O-][N+](=O)c1ccc2c(c1)c1ccccc1cc2[N+](=O)[O-],0.9035223126411438
[O-][N+](=O)c1ccc2c(c1)c1cccc(c1cc2)[N+](=O)[O-],0.8604868054389954
[O-][N+](=O)c1ccc2c(c1)c1ccccc1o2,0.9521468281745912
[O-][N+](=O)c1ccc2c(c1)cc[nH]2,0.7267135977745056
[O-][N+](=O)c1ccc2c(c1)cc1c(c2)cccc1,0.9004132151603699
[O-][N+](=O)c1ccc2c(c1)c1ccccc1s2,0.9380813837051392
[O-][N+](=O)c1ccc2c(c1)cc(c(c2)[N+](=O)[O-])[N+](=O)[O-],0.8821342587471008
[O-][N+](=O)c1ccc2c(c1)ccc1c2cc(cc1)[N+](=O)[O-],0.8861358761787415
[O-][N+](=O)c1ccc2c(c1)cc(c1c2cc(cc1)[N+](=O)[O-])[N+](=O)[O-],0.9269970655441284
[O-][N+](=O)c1ccc2c(c1)cc1-c3cccc4c3c(-c1n2)ccc4,0.9574715495109558
[O-][N+](=O)c1ccc2c(c1)ccc1c2ccc(c1)[N+](=O)[O-],0.9145370721817015
[O-][N+](=O)c1ccc2c(c1)ccc1c2cccc1,0.9635566473007202
[O-][N+](=O)c1ccc2c(c1)cccc2,0.8305467367172241
[O-][N+](=O)c1ccc2c(c1)cccc2C,0.8119698762893677
[O-][N+](=O)c1ccc2c(c1)cns2,0.8363265991210938
[O-][N+](=O)c1ccc2c(c1)csn2,0.7963519096374512
[O-][N+](=O)c1ccc2c(c1)cn[nH]2,0.7685860395431519
[O-][N+](=O)c1ccc2c(c1)ccc1c2ccc2c1cccc2,0.9621280431747437
[O-][N+](=O)c1ccc2c(c1)cccn2,0.8086036443710327
[O-][N+](=O)c1ccc2c(c1)ccc1c2cc2ccc3c(c2c1)cccc3,0.8530628085136414
[O-][N+](=O)c1ccc2c(c1)n[nH]c2,0.7635911107063293
[O-][N+](=O)c1ccc2c(c1)n(C)c1c2cccc1,0.9279394149780272
[O-][N+](=O)c1ccc2c(c1)nc1c(n2)c(ccc1)[N+](=O)[O-],0.8850072622299194
[O-][N+](=O)c1ccc2c(c1)nc1c(n2)ccc(c1)[N+](=O)[O-],0.9665005803108216
[O-][N+](=O)c1ccc2c(c1)nc1c(n2)cc(cc1)[N+](=O)[O-],0.931466281414032
[O-][N+](=O)c1ccc2c(c1)nc1c(n2)cccc1,0.8874670267105103
[O-][N+](=O)c1ccc2c(c1)nc[nH]2,0.7673943042755127
[O-][N+](=O)c1ccc2c(c1)nc(n2Cc1ccccc1)/C=N/OCc1ccccc1[N+](=O)[O-],0.8319284319877625
[O-][N+](=O)c1ccc2c(c1)ncn2C,0.8014033436775208
[O-][N+](=O)c1ccc2c(c1)s[nH]c2=O,0.541631817817688
[O-][N+](=O)c1ccc2c(c1)sc1c2cccc1,0.9634723663330078
[O-][N+](=O)c1ccc2c(c1)oc1c2cccc1,0.955018162727356
[O-][N+](=O)c1ccc2c(c1)oc1c2cc(cc1)[N+](=O)[O-],0.9493465423583984
[O-][N+](=O)c1ccc2c(c1)oc(=O)c1c2cccc1,0.7016059160232544
[O-][N+](=O)c1ccc2c3c1CCc3ccc2,0.8615491986274719
[O-][N+](=O)c1ccc2c(c1C)cccc2,0.8123241662979126
[O-][N+](=O)c1ccc2c(c1)snc2Cl,0.8566056489944458
[O-][N+](=O)c1ccc2c3c1C=Cc3ccc2,0.8226890563964844
[O-][N+](=O)c1ccc2c3c1-c1ccccc1-c3ccc2,0.928273379802704
[O-][N+](=O)c1ccc2c3c1[C@@H]1O[C@@H]1c1c3c(cc2)ccc1,0.9115780591964722
[O-][N+](=O)c1ccc2c3c1c1ccccc1c1c3c(cc2)ccc1,0.8779066801071167
[O-][N+](=O)c1ccc2c3c1c1CCCCc1c1c3c(cc2)ccc1[N+](=O)[O-],0.7829115986824036
[O-][N+](=O)c1ccc2c3c1c1CCCCc1c1c3c(cc2)ccc1,0.8374069929122925
[O-][N+](=O)c1ccc2c3c1c1ccccc1c1c3c(cc2)ccc1O,0.7703611254692078
[O-][N+](=O)c1ccc2c3c1ccc1c3c([C@H]3[C@@H]2O3)ccc1,0.9538515210151672
[O-][N+](=O)c1ccc2c3c1c1ccccc1c1c3c([C@H]3[C@@H]2O3)ccc1,0.950189769268036
[O-][N+](=O)c1ccc2c3c1c1ccccc1c1c3c(cc2)ccc1[N+](=O)[O-],0.9489061236381532
[O-][N+](=O)c1ccc2c3c1ccc1c3c(c3c2CCCC3)c(cc1)[N+](=O)[O-],0.8384276628494263
[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)[n+](c2c1cccc2)[O-],0.9101392030715942
[O-][N+](=O)c1ccc2c3c1ccc1c3c(c3c2CCCC3)ccc1,0.8861427307128906
[O-][N+](=O)c1ccc2c3c1ccc1c3c(c3c2cccc3)c(cc1)[N+](=O)[O-],0.9331599473953248
[O-][N+](=O)c1ccc2c3c1ccc1c3c(c3c2cccc3)ccc1,0.9165288805961608
[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)c(cc1)[N+](=O)[O-],0.8923866152763367
[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)c2c([n+]1[O-])cccc2,0.9004634618759155
[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)c2c(c1)CCC=C2,0.875085711479187
[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)c2c(c1)cccc2,0.9373608827590942
[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)c2c(c1)C=CCC2,0.929682731628418
[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)c2c(n1)cccc2,0.9072490930557252
[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)c2c(c1)CCCC2,0.9637992978096008
[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)cc2c1C=CCC2,0.907856583595276
[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)cc2c1CCC=C2,0.8905234336853027
[O-][N+](=O)c1ccc2c3c1cccc3C=C2,0.936400592327118
[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)cc2c1cccc2,0.8760759234428406
[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)ccc1,0.9394679069519044
[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)cc2c1CCCC2,0.9078900218009948
[O-][N+](=O)c1ccc2c3c1cccc3CC2,0.8400558233261108
[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)ccc1[N+](=O)[O-],0.8914699554443359
[O-][N+](=O)c1cccc(c1)C(F)(F)F,0.5541158318519592
[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)nc2c1cccc2,0.8526960611343384
[O-][N+](=O)c1cccc(c1)/C=N/c1snc2c1cccc2,0.685813307762146
[O-][N+](=O)c1cccc(c1)S(=O)(=O)O,0.38180920481681824
[O-][N+](=O)c1cccc(c1)S(=O)(=O)OC[C@H]1CO1,0.602239727973938
[O-][N+](=O)c1ccc2c3c1cccc3c1c3c2cccc3ccc1,0.9568392038345336
[O-][N+](=O)c1cccc(c1)NS(=O)(=O)c1cccc2c1nccc2,0.5181587934494019
[O-][N+](=O)c1cccc(c1)[N+](=O)[O-],0.8278282284736633
[O-][N+](=O)c1cccc(c1)c1ccc(c(c1)[N+](=O)[O-])O,0.6234157681465149
[O-][N+](=O)c1cccc(c1C)/N=[N+](/c1cccc(c1C)[N+](=O)[O-])\[O-],0.6619790196418762
[O-][N+](=O)c1cccc(c1C)N,0.629806399345398
[O-][N+](=O)c1cccc(c1C)C,0.5791000723838806
[O-][N+](=O)c1cccc(c1C)N=[N+](c1cccc(c1C)[N+](=O)[O-])[O-],0.6358453631401062
[O-][N+](=O)c1cccc(c1N)C,0.594751238822937
[O-][N+](=O)c1ccc2c3c1cccc3c1c3c2c(ccc3ccc1)[N+](=O)[O-],0.8020076751708984
[O-][N+](=O)c1cccc(c1N)O,0.5519177317619324
[O-][N+](=O)c1cccc(c1N)N,0.6398043632507324
[O-][N+](=O)c1cccc(c1Cl)Cl,0.4755006730556488
[O-][N+](=O)c1cccc(c1O)N,0.5625261664390564
[O-][N+](=O)c1ccc2c3c1cccc3c1c3c2cccc3ccc1[N+](=O)[O-],0.944890320301056
[O-][N+](=O)c1cccc(c1O)c1ccccc1,0.6253936886787415
[O-][N+](=O)c1cccc2c1[nH]c1c2cccc1,0.8251015543937683
[O-][N+](=O)c1cccc2c1c(C)ccc2,0.788467288017273
[O-][N+](=O)c1cccc2-c3c4c(-c12)cccc4ccc3,0.9242059588432312
[O-][N+](=O)c1cccc2-c3c4c(-c12)cccc4c(cc3)[N+](=O)[O-],0.8949686288833618
[O-][N+](=O)c1cccc2c1c(ccc2)[N+](=O)[O-],0.8502447009086609
[O-][N+](=O)c1cccc2c1[nH]nc2,0.7955273389816284
[O-][N+](=O)c1cccc2c1c1ccccc1o2,0.9149662852287292
[O-][N+](=O)c1cccc2c1cc([N+](=O)[O-])c(c2)[N+](=O)[O-],0.8410050272941589
[O-][N+](=O)c1cccc2c1c1cccc(c1c(c2)[N+](=O)[O-])[N+](=O)[O-],0.8832752108573914
[O-][N+](=O)c1cccc2c1cccc2,0.8768828511238098
[O-][N+](=O)c1cccc2c1ccc1c2cccc1,0.9552752375602722
[O-][N+](=O)c1cccc2c1csn2,0.8650366067886353
[O-][N+](=O)c1cccc2c1ccc1c2c(ccc1)[N+](=O)[O-],0.915784239768982
[O-][N+](=O)c1cccc2c1cccc2C,0.8465104103088379
[O-][N+](=O)c1cccc2-c3c4c(-c12)ccc1c4c2c(c3)cccc2cc1,0.9240164756774902
[O-][N+](=O)c1cccc2c1cccc2[N+](=O)[O-],0.9368675351142884
[O-][N+](=O)c1cccc2c1nc1cccc(c1n2)[N+](=O)[O-],0.9293344616889954
[O-][N+](=O)c1cccc2c1n[nH]c2,0.6831555962562561
[O-][N+](=O)c1cccc2c1nc1c(n2)cccc1[N+](=O)[O-],0.9192261695861816
[O-][N+](=O)c1cccc2c1nccc2,0.8493705987930298
[O-][N+](=O)c1cccc2c1nsc2,0.8055477142333984
[O-][N+](=O)c1cccc2c1nc1ccccc1n2,0.8550233840942383
[O-][N+](=O)c1cccc2c1ncc1c2c2ccccc2nc1,0.8887293934822083
[O-][N+](=O)c1ccccc1,0.6509109735488892
[O-][N+](=O)c1cccc2c1snc2,0.8753268122673035
[O-][N+](=O)c1cccc2c1nsc2C(C(=O)OCC)C#N,0.5974192619323729
[O-][N+](=O)c1cccc2c1snc2Cl,0.5850324034690857
[O-][N+](=O)c1cccc2c1oc1c2cccc1,0.7493268251419067
[O-][N+](=O)c1ccccc1/C=C/c1ccccn1,0.5862650871276855
[O-][N+](=O)c1cccc2c1oc(=O)c1c2cccc1,0.6878918409347534
[O-][N+](=O)c1ccccc1C(=O)O,0.3914858400821686
[O-][N+](=O)c1ccccc1C(=O)Cl,0.511955201625824
[O-][N+](=O)c1ccccc1Br,0.6628042459487915
[O-][N+](=O)c1ccccc1C(=O)N,0.4741862714290619
[O-][N+](=O)c1ccccc1C(=O)C,0.5524101853370667
[O-][N+](=O)c1ccccc1C,0.6166824102401733
[O-][N+](=O)c1ccccc1C(F)(F)F,0.5477187037467957
[O-][N+](=O)c1ccccc1[N+](=O)[O-],0.7056085467338562
[O-][N+](=O)c1ccccc1[O-].[Na+],0.608558714389801
[O-][N+](=O)c1ccccc1N,0.6556912660598755
[O-][N+](=O)c1ccccc1O,0.5749452710151672
[O-][N+](=O)c1ccccc1Cl,0.6072203516960144
[O-][N+](=O)c1ccccc1S(=O)(=O)O,0.4663556218147278
[O-][N+](=O)c1ccccc1Nc1ccccc1,0.7389885783195496
[O-][N+](=O)c1cn(c(n1)Cl)C[C@@H](COC)O,0.30088624358177185
[O-][N+](=O)c1ccccc1c1ccccc1,0.7516888380050659
[O-][N+](=O)c1cnc(n1C)C,0.5300824642181396
[O-][N+](=O)c1ccnc2c1cccc2,0.8019583821296692
[O-][N+](=O)c1cnc(n1C)c1nnc(s1)N,0.7149243950843811
[O-][N+](=O)c1cnc(n1C)C(c1cc(cc(c1O)C(C)(C)C)C(C)(C)C)O,0.355377733707428
[O-][N+](=O)c1cncn1C,0.5343681573867798
[O-][N+](=O)c1n(C)cnc1c1ccccc1,0.5357800722122192
[O-][N+](=O)c1cnc(s1)N,0.6252992153167725
[O-][N+](=O)c1cnc(s1)NC(=O)NCC,0.38847190141677856
[O-][N+](=O)c1cnc(s1)NC(=O)NCCCl,0.5129119753837585
[O-][N+](=O)c1cnc2c(c1)nc1n2cccc1,0.8125097155570984
[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