diff options
Diffstat (limited to 'data/efsa.csv')
| -rw-r--r-- | data/efsa.csv | 798 |
1 files changed, 693 insertions, 105 deletions
diff --git a/data/efsa.csv b/data/efsa.csv index 2ea26a7..49fde00 100644 --- a/data/efsa.csv +++ b/data/efsa.csv @@ -1,105 +1,693 @@ -W, [2018-08-07T18:17:20.512100 #15266] WARN -- : SMILES parsing failed for ''', this may be caused by an incorrect SMILES string. -W, [2018-08-07T18:17:20.512291 #15266] WARN -- : SMILES parsing failed for ''', this may be caused by an incorrect SMILES string. -W, [2018-08-07T18:17:20.512405 #15266] WARN -- : SMILES parsing failed for ''', this may be caused by an incorrect SMILES string. -W, [2018-08-07T18:17:20.512537 #15266] WARN -- : SMILES parsing failed for ''', this may be caused by an incorrect SMILES string. -W, [2018-08-07T18:17:20.512637 #15266] WARN -- : SMILES parsing failed for ''', this may be caused by an incorrect SMILES string. -W, [2018-08-07T18:17:20.512749 #15266] WARN -- : SMILES parsing failed for ''', this may be caused by an incorrect SMILES string. -W, [2018-08-07T18:17:20.512845 #15266] WARN -- : SMILES parsing failed for ''', this may be caused by an incorrect SMILES string. -W, [2018-08-07T18:17:20.512969 #15266] WARN -- : SMILES parsing failed for ''', this may be caused by an incorrect SMILES string. -W, [2018-08-07T18:17:20.513074 #15266] WARN -- : SMILES parsing failed for ''', this may be caused by an incorrect SMILES string. -W, [2018-08-07T18:17:20.513183 #15266] WARN -- : SMILES parsing failed for ''', this may be caused by an incorrect SMILES string. -W, [2018-08-07T18:17:20.513301 #15266] WARN -- : SMILES parsing failed for ''', this may be caused by an incorrect SMILES string. -W, [2018-08-07T18:17:20.513414 #15266] WARN -- : SMILES parsing failed for ''', this may be caused by an incorrect SMILES string. -W, [2018-08-07T18:17:20.513512 #15266] WARN -- : SMILES parsing failed for ''', this may be caused by an incorrect SMILES string. -W, [2018-08-07T18:17:20.513637 #15266] WARN -- : SMILES parsing failed for ''', this may be caused by an incorrect SMILES string. -W, [2018-08-07T18:17:20.513751 #15266] WARN -- : SMILES parsing failed for ''', this may be caused by an incorrect SMILES string. -W, [2018-08-07T18:17:20.513846 #15266] WARN -- : SMILES parsing failed for ''', this may be caused by an incorrect SMILES string. -W, [2018-08-07T18:17:20.539332 #15266] WARN -- : SMILES parsing failed for ''', this may be caused by an incorrect SMILES string. -W, [2018-08-07T18:17:28.716260 #15266] WARN -- : SMILES parsing failed for ''', this may be caused by an incorrect SMILES string. -W, [2018-08-07T18:17:28.716425 #15266] WARN -- : SMILES parsing failed for ''', this may be caused by an incorrect SMILES string. -W, [2018-08-07T18:17:28.716533 #15266] WARN -- : SMILES parsing failed for ''', this may be caused by an incorrect SMILES string. -W, [2018-08-07T18:17:31.084855 #15266] WARN -- : SMILES parsing failed for ''', this may be caused by an incorrect SMILES string. -W, [2018-08-07T18:17:31.085027 #15266] WARN -- : SMILES parsing failed for ''', this may be caused by an incorrect SMILES string. -W, [2018-08-07T18:17:31.085161 #15266] WARN -- : SMILES parsing failed for ''', this may be caused by an incorrect SMILES string. -W, [2018-08-07T18:17:31.085282 #15266] WARN -- : SMILES parsing failed for ''', this may be caused by an incorrect SMILES string. -W, [2018-08-07T18:17:31.085405 #15266] WARN -- : SMILES parsing failed for ''', this may be caused by an incorrect SMILES string. -W, [2018-08-07T18:17:31.085533 #15266] WARN -- : SMILES parsing failed for ''', this may be caused by an incorrect SMILES string. -W, [2018-08-07T18:17:31.085650 #15266] WARN -- : SMILES parsing failed for ''', this may be caused by an incorrect SMILES string. -W, [2018-08-07T18:17:31.085769 #15266] WARN -- : SMILES parsing failed for ''', this may be caused by an incorrect SMILES string. -W, [2018-08-07T18:17:31.085891 #15266] WARN -- : SMILES parsing failed for ''', this may be caused by an incorrect SMILES string. -W, [2018-08-07T18:17:31.086001 #15266] WARN -- : SMILES parsing failed for ''', this may be caused by an incorrect SMILES string. -W, [2018-08-07T18:17:34.754099 #15266] WARN -- : SMILES parsing failed for ''', this may be caused by an incorrect SMILES string. -W, [2018-08-07T18:17:34.754258 #15266] WARN -- : SMILES parsing failed for ''', this may be caused by an incorrect SMILES string. -W, [2018-08-07T18:17:34.754420 #15266] WARN -- : SMILES parsing failed for ''', this may be caused by an incorrect SMILES string. -W, [2018-08-07T18:17:34.754524 #15266] WARN -- : SMILES parsing failed for ''', this may be caused by an incorrect SMILES string. -W, [2018-08-07T18:17:34.754624 #15266] WARN -- : SMILES parsing failed for ''', this may be caused by an incorrect SMILES string. -W, [2018-08-07T18:17:34.754746 #15266] WARN -- : SMILES parsing failed for ''', this may be caused by an incorrect SMILES string. -W, [2018-08-07T18:17:34.754851 #15266] WARN -- : SMILES parsing failed for ''', this may be caused by an incorrect SMILES string. -W, [2018-08-07T18:17:34.754949 #15266] WARN -- : SMILES parsing failed for ''', this may be caused by an incorrect SMILES string. -W, [2018-08-07T18:17:34.755094 #15266] WARN -- : SMILES parsing failed for ''', this may be caused by an incorrect SMILES string. -W, [2018-08-07T18:17:34.755196 #15266] WARN -- : SMILES parsing failed for ''', this may be caused by an incorrect SMILES string. -W, [2018-08-07T18:18:00.365181 #15266] WARN -- : SMILES parsing failed for ''', this may be caused by an incorrect SMILES string. -W, [2018-08-07T18:18:00.365329 #15266] WARN -- : SMILES parsing failed for ''', this may be caused by an incorrect SMILES string. -W, [2018-08-07T18:18:00.365440 #15266] WARN -- : SMILES parsing failed for ''', this may be caused by an incorrect SMILES string. -W, [2018-08-07T18:18:00.365587 #15266] WARN -- : SMILES parsing failed for ''', this may be caused by an incorrect SMILES string. -W, [2018-08-07T18:18:00.365685 #15266] WARN -- : SMILES parsing failed for ''', this may be caused by an incorrect SMILES string. -W, [2018-08-07T18:18:00.365803 #15266] WARN -- : SMILES parsing failed for ''', this may be caused by an incorrect SMILES string. -W, [2018-08-07T18:18:00.365899 #15266] WARN -- : SMILES parsing failed for ''', this may be caused by an incorrect SMILES string. -W, [2018-08-07T18:18:00.365994 #15266] WARN -- : SMILES parsing failed for ''', this may be caused by an incorrect SMILES string. -W, [2018-08-07T18:18:00.366124 #15266] WARN -- : SMILES parsing failed for ''', this may be caused by an incorrect SMILES string. -W, [2018-08-07T18:18:00.366221 #15266] WARN -- : SMILES parsing failed for ''', this may be caused by an incorrect SMILES string. -W, [2018-08-07T18:18:00.366355 #15266] WARN -- : SMILES parsing failed for ''', this may be caused by an incorrect SMILES string. -W, [2018-08-07T18:18:00.366454 #15266] WARN -- : SMILES parsing failed for ''', this may be caused by an incorrect SMILES string. -W, [2018-08-07T18:18:00.366549 #15266] WARN -- : SMILES parsing failed for ''', this may be caused by an incorrect SMILES string. -W, [2018-08-07T18:18:00.366670 #15266] WARN -- : SMILES parsing failed for ''', this may be caused by an incorrect SMILES string. -W, [2018-08-07T18:18:00.366766 #15266] WARN -- : SMILES parsing failed for ''', this may be caused by an incorrect SMILES string. -W, [2018-08-07T18:18:00.366902 #15266] WARN -- : SMILES parsing failed for ''', this may be caused by an incorrect SMILES string. -W, [2018-08-07T18:18:00.366999 #15266] WARN -- : SMILES parsing failed for ''', this may be caused by an incorrect SMILES string. -W, [2018-08-07T18:18:00.367093 #15266] WARN -- : SMILES parsing failed for ''', this may be caused by an incorrect SMILES string. -W, [2018-08-07T18:18:00.367204 #15266] WARN -- : SMILES parsing failed for ''', this may be caused by an incorrect SMILES string. -W, [2018-08-07T18:18:00.367307 #15266] WARN -- : SMILES parsing failed for ''', this may be caused by an incorrect SMILES string. -W, [2018-08-07T18:18:33.869299 #15266] WARN -- : SMILES parsing failed for ''', this may be caused by an incorrect SMILES string. -W, [2018-08-07T18:18:33.869470 #15266] WARN -- : SMILES parsing failed for ''', this may be caused by an incorrect SMILES string. -W, [2018-08-07T18:18:33.869605 #15266] WARN -- : SMILES parsing failed for ''', this may be caused by an incorrect SMILES string. -W, [2018-08-07T18:18:33.869730 #15266] WARN -- : SMILES parsing failed for ''', this may be caused by an incorrect SMILES string. -W, [2018-08-07T18:18:33.869840 #15266] WARN -- : SMILES parsing failed for ''', this may be caused by an incorrect SMILES string. -W, [2018-08-07T18:18:33.869975 #15266] WARN -- : SMILES parsing failed for ''', this may be caused by an incorrect SMILES string. -W, [2018-08-07T18:18:33.870083 #15266] WARN -- : SMILES parsing failed for ''', this may be caused by an incorrect SMILES string. -W, [2018-08-07T18:18:33.870185 #15266] WARN -- : SMILES parsing failed for ''', this may be caused by an incorrect SMILES string. -W, [2018-08-07T18:18:33.870300 #15266] WARN -- : SMILES parsing failed for ''', this may be caused by an incorrect SMILES string. -W, [2018-08-07T18:18:33.870423 #15266] WARN -- : SMILES parsing failed for ''', this may be caused by an incorrect SMILES string. -W, [2018-08-07T18:18:50.410992 #15266] WARN -- : SMILES parsing failed for ''', this may be caused by an incorrect SMILES string. -W, [2018-08-07T18:18:50.411139 #15266] WARN -- : SMILES parsing failed for ''', this may be caused by an incorrect SMILES string. -W, [2018-08-07T18:18:50.411247 #15266] WARN -- : SMILES parsing failed for ''', this may be caused by an incorrect SMILES string. -W, [2018-08-07T18:18:50.411392 #15266] WARN -- : SMILES parsing failed for ''', this may be caused by an incorrect SMILES string. -W, [2018-08-07T18:18:50.411491 #15266] WARN -- : SMILES parsing failed for ''', this may be caused by an incorrect SMILES string. -W, [2018-08-07T18:18:50.411588 #15266] WARN -- : SMILES parsing failed for ''', this may be caused by an incorrect SMILES string. -W, [2018-08-07T18:18:50.411706 #15266] WARN -- : SMILES parsing failed for ''', this may be caused by an incorrect SMILES string. -W, [2018-08-07T18:18:50.411823 #15266] WARN -- : SMILES parsing failed for ''', this may be caused by an incorrect SMILES string. -W, [2018-08-07T18:18:50.411952 #15266] WARN -- : SMILES parsing failed for ''', this may be caused by an incorrect SMILES string. -W, [2018-08-07T18:18:50.412049 #15266] WARN -- : SMILES parsing failed for ''', this may be caused by an incorrect SMILES string. -W, [2018-08-07T18:18:50.531094 #15266] WARN -- : SMILES parsing failed for ''', this may be caused by an incorrect SMILES string. -W, [2018-08-07T18:18:50.531282 #15266] WARN -- : SMILES parsing failed for ''', this may be caused by an incorrect SMILES string. -W, [2018-08-07T18:18:53.918928 #15266] WARN -- : SMILES parsing failed for ''', this may be caused by an incorrect SMILES string. -W, [2018-08-07T18:18:53.919093 #15266] WARN -- : SMILES parsing failed for ''', this may be caused by an incorrect SMILES string. -W, [2018-08-07T18:18:53.919221 #15266] WARN -- : SMILES parsing failed for ''', this may be caused by an incorrect SMILES string. -W, [2018-08-07T18:18:53.919348 #15266] WARN -- : SMILES parsing failed for ''', this may be caused by an incorrect SMILES string. -W, [2018-08-07T18:18:53.919446 #15266] WARN -- : SMILES parsing failed for ''', this may be caused by an incorrect SMILES string. -W, [2018-08-07T18:18:53.919578 #15266] WARN -- : SMILES parsing failed for ''', this may be caused by an incorrect SMILES string. -W, [2018-08-07T18:18:53.919675 #15266] WARN -- : SMILES parsing failed for ''', this may be caused by an incorrect SMILES string. -W, [2018-08-07T18:18:53.919781 #15266] WARN -- : SMILES parsing failed for ''', this may be caused by an incorrect SMILES string. -W, [2018-08-07T18:19:09.724564 #15266] WARN -- : SMILES parsing failed for ''', this may be caused by an incorrect SMILES string. -W, [2018-08-07T18:19:09.724723 #15266] WARN -- : SMILES parsing failed for ''', this may be caused by an incorrect SMILES string. -W, [2018-08-07T18:19:09.724862 #15266] WARN -- : SMILES parsing failed for ''', this may be caused by an incorrect SMILES string. -W, [2018-08-07T18:19:09.724982 #15266] WARN -- : SMILES parsing failed for ''', this may be caused by an incorrect SMILES string. -W, [2018-08-07T18:19:09.725127 #15266] WARN -- : SMILES parsing failed for ''', this may be caused by an incorrect SMILES string. -W, [2018-08-07T18:19:09.725247 #15266] WARN -- : SMILES parsing failed for ''', this may be caused by an incorrect SMILES string. -W, [2018-08-07T18:19:09.725364 #15266] WARN -- : SMILES parsing failed for ''', this may be caused by an incorrect SMILES string. -W, [2018-08-07T18:19:09.725486 #15266] WARN -- : SMILES parsing failed for ''', this may be caused by an incorrect SMILES string. -W, [2018-08-07T18:19:09.725597 #15266] WARN -- : SMILES parsing failed for ''', this may be caused by an incorrect SMILES string. -W, [2018-08-07T18:19:09.725713 #15266] WARN -- : SMILES parsing failed for ''', this may be caused by an incorrect SMILES string. -W, [2018-08-07T18:19:09.725847 #15266] WARN -- : SMILES parsing failed for ''', this may be caused by an incorrect SMILES string. -W, [2018-08-07T18:19:09.725963 #15266] WARN -- : SMILES parsing failed for ''', this may be caused by an incorrect SMILES string. -W, [2018-08-07T18:19:09.726069 #15266] WARN -- : SMILES parsing failed for ''', this may be caused by an incorrect SMILES string. -W, [2018-08-07T18:19:09.726188 #15266] WARN -- : SMILES parsing failed for ''', this may be caused by an incorrect SMILES string. -W, [2018-08-07T18:19:09.726306 #15266] WARN -- : SMILES parsing failed for ''', this may be caused by an incorrect SMILES string. +c1ccc(cc1)CNc1ncnc2c1[nH]cn2,0 +OS(=O)(=O)O.Oc1cccc2c1nccc2.Oc1cccc2c1nccc2,1 +Oc1cccc2c1nccc2,1 +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 +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 +Clc1cc(N)c(c(n1)C(=O)O)Cl,0 +COc1nc(nc(c1)O)NC(=O)NS(=O)(=O)c1n(C)ncc1c1nnn(n1)C,0 +COc1cc(OC)nc(n1)N,0 +Cn1nnc(n1)c1cnn(c1S(=O)(=O)N)C,0 +Clc1ccc(c(c1)Cl)O,0 +OC(=O)CCCOc1ccc(cc1Cl)Cl,0 +O=C1NS(=O)(=O)Cc2c1cccc2,0 +COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)Cc1ccccc1C(=O)O,0 +COC(=O)c1ccccc1CS(=O)(=O)N,0 +CC(N1C(=O)c2ccccc2NS1(=O)=O)C,0 +CC(OC(=O)N[C@@H](C(=O)N[C@@H](c1nc2c(s1)cc(cc2)F)C)C(C)C)C,1 +OC(C(C)(C)C)C(n1cncn1)Oc1ccc(cc1)c1ccccc1,0 +Fc1ccc(c(c1)c1ccc(c(c1)Cl)Cl)NC(=O)c1cn(nc1C(F)F)C,0 +Brc1ccc(cc1)c1ccc(cc1)C(CC(c1c(=O)oc2c(c1O)cccc2)c1ccccc1)O,0 +BrC1COC(C1)(Cn1cncn1)c1ccc(cc1Cl)Cl,0 +CCCCc1c(C)nc(nc1OS(=O)(=O)N(C)C)NCC,0 +CCCCc1c(=O)nc([nH]c1C)NCC,0 +CC(N1C(=NC(C)(C)C)SCN(C1=O)c1ccccc1)C,0 +CCOP(=O)(SC(CC)C)SC(CC)C,0 +ClC(SN1C(=O)C2C(C1=O)CC=CC2)(Cl)Cl,1 +Cc1ccc(c2c1cccc2)C,0 +CC1=CC1,0 +C=CCc1ccc(c(c1)OC)O,0 +NC(=O)Cc1cccc2c1cccc2,0 +OC(=O)Cc1cccc2c1cccc2,0 +[O-]C(=O)Cc1cccc2c1cccc2.[Na+],0 +OC(=O)COc1ccc(cc1Cl)Cl,0 +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 +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 +CCCCCCCCCCCCC1=C(OC(=O)C)C(=O)c2c(C1=O)cccc2,0 +CCCCCCCCCCC(=O)C(=O)c1ccccc1C(=O)O,0 +CSC(=O)c1cccc2c1snn2,0 +OC(=O)c1cccc2c1snn2,1 +OC(=O)c1ccc(c2c1snn2)O,0 +Oc1cc2nnsc2c(c1)C(=O)O,0 +Clc1c(ccc(c1N)[N+](=O)[O-])Oc1ccccc1,0 +N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)/C=C\C(=O)O,0 +OC(=O)/C=C\C1C(C1(C)C)C(=O)O,0 +[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Al+3].O.O.O.O.O.O.O.O.O.O.O.O.[NH4+],0 +[Mg+2].[Mg+2].[Mg+2].[P-3].[P-3],0 +P,0 +[Al]#P,0 +COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)N(S(=O)(=O)C)C,0 +COc1nc(nc(c1)O)NC(=O)NS(=O)(=O)N(S(=O)(=O)C)C,0 +Oc1cc(=O)[nH]c(n1)N,0 +CCNC(=O)C(OC(=O)Nc1ccccc1)C,0 +Fc1ccc2c(c1)n(c(c2Br)C)S(=O)(=O)c1ncn(n1)S(=O)(=O)N(C)C,0 +Cc1c(Br)c2c(n1S(=O)(=O)C1=NN=C[N]1)cc(cc2)F,0 +CO/C=C(\c1ccccc1Oc1ncnc(c1)Oc1ccccc1C#N)/C(=O)OC,0 +N#Cc1ccccc1Oc1ncnc(c1)Oc1ccccc1/C(=C/C(=O)C)/C(=O)O,0 +OCC(C1OC(=O)C(=C1O)O)O,0 +C/C=C(/C(=O)OC1CC(OC(=O)C)C2(C3C41COC(C4C(C)(C(C3OC2)O)C12OC2(C)C2CC1OC1C2(O)C=CO1)(O)C(=O)OC)OC(=O)C)\C,0 +CCCCN(c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])CC,0 +COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)c1n(C)ncc1c1nnn(n1)C,0 +CCOC(=O)CCN(C(C)C)SN(C(=O)Oc1cccc2c1OC(C2)(C)C)C,0 +COc1nc(nc(c1)OC)NC(=O)NS(=O)(=O)Cc1ccccc1C(=O)OC,0 +CC(N1C(=O)c2ccccc2[N-]S1(=O)=O)C.[Na+],0 +CC(N1C(=O)c2cccc(c2NS1(=O)=O)O)C,0 +N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)C=C(Cl)Cl,1 +COC(=O)c1cc(ccc1[N+](=O)[O-])Oc1ccc(cc1Cl)Cl,0 +COC(=O)C(N(c1c(C)cccc1C)C(=O)Cc1ccccc1)C,0 +COC(=O)C(N(c1c(C)cccc1C)C(=O)CC(=O)O)C,0 +CC(N(c1c(C)cccc1C)C(=O)CC(=O)O)C(=O)O,0 +Fc1ccc2c(c1)sc(n2)O,0 +Fc1ccc2c(c1)sc(n2)C(O)C,0 +Fc1ccc2c(c1)sc(n2)C(=O)C,1 +CC(OC(=O)NC(C(=O)NC(c1sc2c(n1)cc(c(c2)F)O)C)C(C)C)C,0 +C#CCOC(=O)[C@H](Oc1ccc(cc1)Oc1ncc(cc1F)Cl)C,0 +O=C1N(OCC1(C)C)Cc1ccccc1Cl,0 +O=C1NOCC1(C)C,0 +COC(=O)C(Oc1ccc(cc1)Oc1ccc(cc1Cl)Cl)C,0 +COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c1ccccc1Cl,0 +Clc1ccccc1S(=O)(=O)N,0 +O=C(NS(=O)(=O)c1ccccc1Cl)NC(=N)/N=C(/O)\N,0 +Clc1ccc(c(n1)C(=O)O)Cl,0 +CCCCOC(=O)C(Oc1ccc(cc1)Oc1ccc(cc1F)C#N)C,0 +O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(cc1)Cl,0 +CC(C(=O)NC(=O)O)OC(=O)Nc1ccccc1,0 +O=C(C1=C(C)OCCS1)Nc1ccccc1,0 +O=S1CCOC(=C1C(=O)N)C,0 +OC(=O)[C@H](Oc1ccc(cc1Cl)Cl)C,0 +Fc1ccc(c(c1)F)NC(=O)c1cccnc1Oc1cccc(c1)C(F)(F)F,0 +OC(=O)c1cccnc1Oc1cccc(c1)C(F)(F)F,0 +Nc1nc(NC2CC2)nc(n1)N,0 +[O-][N+](=O)c1cc(Cl)c(c(c1)Cl)N,1 +CCCCCCCCCC[N+](CCCCCCCCCC)(C)C.[Cl-],0 +CCOP(=S)(Oc1cc(C)nc(n1)C(C)C)OCC,0 +Clc1ccccc1c1nnc(nn1)c1ccccc1Cl,0 +CCNC(=O)NC(=O)/C(=N/OC)/C#N,0 +c1cc[n+]2c(-c3cccc[n+]3CC2)c1,0 +O=C1NCC[n+]2c1cccc2,0 +CC1OC(C)CN(C1)C1CCCCCCCCCCC1.CC(=O)O,0 +CC(=O)O.CCCCCCCCCCCCNC(=N)N,0 +Fc1ccc(cc1)C1(Cn2cncn2)OC1c1ccccc1Cl,0 +COc1c(Cl)ccc(c1C(=O)O)Cl,0 +COc1c(Cl)cc(c(c1C(=O)O)Cl)O,0 +N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C(c1ccc(cc1)Cl)C(C)C,0 +N#CC(C(c1ccc(cc1)Cl)C(C)C)c1cccc(c1)Oc1ccccc1,0 +NC(=O)C(c1cccc(c1)Oc1ccccc1)OC(=O)C(c1ccc(cc1)Cl)C(C)C,0 +CCOc1snc(n1)C(Cl)(Cl)Cl,0 +CCOc1nc(ns1)C(=O)O,0 +O=C(N=C(c1c(F)c(F)ccc1C(F)(F)F)NOCC1CC1)Cc1ccccc1,0 +N/C(=N\OCC1CC1)/c1c(F)c(F)ccc1C(F)(F)F,0 +NC(=N)c1c(F)c(F)ccc1C(F)(F)F,0 +NC(=O)c1c(F)c(F)ccc1C(F)(F)F,0 +O=C(N/C(=N\OCC1CC1)/c1c(F)c(F)ccc1C(F)(F)F)CC(=O)O,0 +O=C(N/C(=N/OCC1CC1)/c1c(F)c(F)ccc1C(F)(F)F)Cc1ccccc1,0 +OC(=O)C1CC1,0 +OCC1CC1,0 +CC(C(c1ccc(cc1)Cl)(Cn1ncnc1)O)C1CC1,0 +OC(=O)/C=C/C(C(c1ccc(cc1)Cl)(Cn1cncn1)O)C,0 +OC(=O)CC(C(C(c1ccc(cc1)Cl)(Cn1cncn1)O)C)O,0 +Cc1nc(Nc2ccccc2)nc(c1)C1CC1,0 +Cc1cc(nc(n1)N)C1CC1,0 +Cc1nc(Nc2cccc(c2)O)nc(c1)C1CC1,0 +OCc1nc(N)nc(c1)C1CC1,0 +Cc1cc(nc(n1)O)C1CC1,0 +OCc1nc(Nc2ccccc2)nc(c1)C1CC1,0 +COc1cc(ccc1OC)/C(=C/C(=O)N1CCOCC1)/c1ccc(cc1)Cl,0 +COCCN(c1c(C)cccc1C)C(=O)CCl,0 +COCCN(c1c(C)cccc1C)C(=O)C(=O)O,0 +COCCN(c1c(C)cccc1C)C(=O)CS(=O)(=O)O[Na],0 +[Na]OS(=O)(=O)CC(=O)Nc1c(C)cccc1C,0 +COC(=O)CN(c1c(C)cccc1C)C(=O)CS(=O)(=O)O[Na],0 +OCC(=O)N(c1c(C)cccc1C)CCSCC(C(=O)O)O,0 +COCCN(c1c(C)cccc1C(=O)O)C(=O)CO,0 +CCOc1cc(ccc1OCC)NC(=O)OC(C)C,0 +CCOc1ccc(cc1)C(COCc1cccc(c1)Oc1ccccc1)(C)C,0 +CON=C(c1ccccc1COc1cc(C)ccc1C)C(=O)NC,0 +CO/N=C(\c1ccccc1CO)/C(=O)NC,0 +[O-]P(=O)=O.[Na+].[Na+],0 +O=C(C1C(C1(C)C)/C=C(/C(F)(F)F)\Cl)OCc1cccc(c1C)c1ccccc1,0 +CNC(=O)Oc1cccc2c1OC(C2)(C)C,0 +Oc1cccc2c1OC(C2)(C)C,0 +CNC(=O)Oc1cccc2c1OC(C2O)(C)C,0 +c1ccc(cc1)Nc1ccccc1,0 +COc1nc(Oc2cccc(c2C(=O)[O-])Oc2nc(OC)cc(n2)OC)nc(c1)OC.[Na+],0 +COc1cc(OC)[nH]c(=O)n1,0 +COc1cc(=O)[nH]c(=O)[nH]1,0 +COc1cc(OC)nc(n1)Oc1cccc(c1C(=O)O)Oc1nc(OC)c(c(n1)OC)O,0 +COc1nc(nc(c1)O)Oc1cccc(c1C(=O)[O-])O.[Na+],0 +COc1cc(OC)nc(n1)Oc1cccc(c1C(=O)O)O,0 +COc1cc(O)nc(n1)Oc1cccc(c1C(=O)[O-])Oc1nc(OC)cc(n1)OC.[Na+],0 +Fc1ccc2c(c1)sc(n2)c1nc2c(s1)cc(cc2)F,1 +Cl/C=C/CO/N=C(/C1=C(O)CC(CC1=O)CC(SCC)C)\CC,1 +CCC(=N)C1=C(O)CC(CC1=O)CC(S(=O)(=O)CC)C,0 +Cl/C=C/CO/N=C(/C1=C(O)CC(CC1=O)(O)CC(S(=O)(=O)CC)C)\CC,0 +Cl/C=C/CO/N=C(/C1=C(O)CC(CC1=O)CC(S(=O)(=O)CC)C)\CC,1 +CCc1oc2c(n1)C(=O)CC(C2)CC(S(=O)(=O)CC)C,0 +CCOc1nc(NC(=O)N)nc(n1)NC,0 +CCOc1nc(NC)nc(n1)N,0 +CCOc1nc(nc(n1)NC)NC(=O)NS(=O)(=O)c1ccccc1C(=O)O,0 +CNc1nc(nc(n1)O)NC(=O)NS(=O)(=O)c1ccccc1C(=O)OC,0 +COC(=O)c1ccccc1S(=O)(=O)NC(=O)Nc1nc(N)nc(n1)O,0 +CCOc1nc(nc(n1)N)NC(=O)NS(=O)(=O)c1ccccc1C(=O)O,0 +OC(=O)c1ccccc1S(=O)(=O)N,0 +CCOc1nc(N)nc(n1)N,0 +CCCSP(=O)(SCCC)OCC,0 +N#Cc1sc2=c(sc1C#N)c(=O)c1c(c2=O)cccc1,0 +COC(=O)c1c(Cl)c(Cl)c(c(c1Cl)Cl)C(=O)OC,0 +OC(=O)c1c(Cl)c(Cl)c(c(c1Cl)Cl)C(=O)O,0 +COC(=O)c1c(Cl)c(Cl)c(c(c1Cl)Cl)C(=O)O,0 +COC(=O)[C@H](N(c1c(C)cccc1C)C(=O)Cc1ccccc1)C,0 +N#Cc1cc(C)c(c(c1)C(=O)NC)NC(=O)c1cc(nn1c1ncccc1Cl)Br,0 +CNC(=O)c1cc(cc(c1NC(=O)c1cc(nn1c1ncccc1Cl)Br)C)C(=O)O,0 +Brc1nn(c(c1)c1nc(=O)c2c([nH]1)c(C)cc(c2)C(=O)O)c1ncccc1Cl,0 +CNC(=O)C1=NN=C([CH]1)Br,0 +N#Cc1cc(C)c2c(c1)c(=O)n1c(n2)c(Cl)ccc1,0 +OCC=C(CCC=C(C)C)C,0 +CNC(=O)c1cc(Cl)cc(c1NC(=O)c1cc(nn1c1ncccc1Cl)Br)C,0 +Clc1cc(C)c2c(c1)c(=O)n(c(n2)c1cc(nn1c1ncccc1Cl)Br)C,0 +Clc1cc(C)c2c(c1)c(=O)n(c(n2)C1=NN=C([CH]1)Br)C,0 +Clc1cc(C)c2c(c1)c(=O)n1c(n2)c(Cl)ccc1,0 +CCCCN(SN(C(=O)Oc1cccc2c1OC(C2)(C)C)C)CCCC,0 +Nc1cnn(c(=O)c1Cl)c1ccccc1,1 +Nc1cn[nH]c(=O)c1Cl,0 +Cn1ncc(c(c1=O)Cl)N,0 +Cc1cc(C)cc(c1)C(=O)N(C(C)(C)C)NC(=O)c1ccc2c(c1C)CCCO2,0 +Cc1cc(C)cc(c1)C(=O)N(C(C)(C)C)NC(=O)c1ccc2c(c1C)C(O)CCO2,0 +O=C1CCc2c(O1)ccc(c2C)C(=O)NN(C(C)(C)C)C(=O)c1cc(C)cc(c1)C,0 +Cc1cc(cc(c1)C(=O)O)C(=O)N(C(C)(C)C)NC(=O)c1ccc2c(c1C)C(O)CCO2,0 +ClCC[N+](C)(C)C.[Cl-],0 +COCCOC(=O)C(C(=O)c1ccccc1C(F)(F)F)(c1ccc(cc1)C(C)(C)C)C#N,0 +OC(=O)c1ccccc1C(F)(F)F,0 +NC(=O)c1ccccc1C(F)(F)F,1 +CCOC(=O)C(Cc1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C)Cl,0 +OC(=O)C(Cc1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C)Cl,0 +Fc1cc(Cl)c(cc1n1nc(n(c1=O)C(F)F)C)C(=O)O,0 +OC(=O)CCc1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C,0 +OC(=O)/C=C/c1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C,0 +OC(=O)C(Cc1cc(c(cc1Cl)F)n1ncn(c1=O)C(F)F)Cl,0 +OC(=O)C(S(=O)(=O)O)Cc1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C,0 +FC(n1c(C)n[nH]c1=O)F,0 +OCc1nn(c(=O)n1C(F)F)c1cc(C(=O)O)c(cc1F)Cl,0 +COc1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C,0 +OC(=O)c1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C(=O)O,0 +O=C(N(C)C)Nc1ccc(c(c1)Cl)Cl,0 +CN(C(=O)Nc1ccc(cc1)Cl)C,0 +Clc1cccc(c1)NC(=O)N(C)C,0 +CN(C(=O)Nc1cc(Cl)cc(c1)Cl)C,0 +CCO/N=C(/C1=C(O)CC(CC1=O)C1CCCSC1)\CCC,0 +CCO/N=C(/C1=C(O)CC(CC1=O)(O)C1CCCS(=O)C1)\CCC,0 +CCO/N=C(/C1=C(O)CC(CC1=O)C1CCCS(=O)C1)\CCC,0 +OC(=O)CC(C1CCCS(=O)(=O)C1)CC(=O)O,0 +OC(=O)CC(C1CCCS(=O)C1)CC(=O)O,0 +CCOC1Oc2c(C1(C)C)cc(cc2)OS(=O)(=O)C,0 +OC(=O)C(c1cc(ccc1O)OS(=O)(=O)C)(C)C,0 +CCOP(=S)(Oc1nc(Cl)c(cc1Cl)Cl)OCC,0 +Clc1[nH]c(=O)c(cc1Cl)Cl,0 +COC(=O)Nc1nc2c([nH]1)cccc2,1 +Nc1cc2nc3ccccc3nc2cc1N,1 +COC(=O)Nc1nc2c([nH]1)cc(cc2)O,0 +CC(c1ccc(cc1)CCOc1ncnc2c1cccc2)(C)C,0 +CC(c1ccc(cc1)C(C)(C)C)O,0 +O=c1nc[nH]c2c1cccc2,0 +CNC(=O)Oc1cccc2c1cccc2,0 +Cc1nn(c(c1/C=N/OCc1ccc(cc1)C(=O)OC(C)(C)C)Oc1ccccc1)C,0 +CN1CN(C)CSC1=S,0 +CN=C=S,0 +CCCCOC(=O)[C@H](Oc1ccc(cc1)Oc1ccc(cn1)C(F)(F)F)C,0 +O=c1ccc(c[nH]1)C(F)(F)F,1 +Nc1ncn[nH]1,1 +N#Cc1c[nH]cc1c1cccc2c1OC(O2)(F)F,0 +OC(=O)c1cccc2c1OC(O2)(F)F,0 +N#CC1=C(C(=O)NC1=O)c1cccc2c1OC(O2)(F)F,0 +NC(=O)C(c1cccc2c1OC(O2)(F)F)O,0 +N#CC1C(=O)NC(=O)C1c1cccc2c1OC(O2)(F)F,0 +N#CC1(OC1(C(=O)N)c1cccc2c1OC(O2)(F)F)C(=O)O,0 +Oc1ccccc1c1ccccc1,1 +OC(=O)C1C2C3(C4C51CC(=C)C(C5)(O)CC4)C=CC(C2(C)C(=O)O3)O,0 +ClOCl.[Cu+2],1 +[O-]S(=O)(=O)[O-].[Cu+2].[Cu+2].[Cu+2].[Cu+2].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-],1 +[Cu].[Cu].O,0 +[O-]S(=O)(=O)[O-].[Cu+2].O.O.O.O.O,0 +[O-]c1cccc2c1nccc2.[O-]c1cccc2c1nccc2.[Cu+2],1 +[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Cu+2].[Cu+2].[Cu+2].[OH-].[OH-],0 +Cl[Cu]Cl,0 +O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(cc1F)Oc1ccc(cc1Cl)C(F)(F)F,0 +NC(=O)Nc1ccc(cc1F)Oc1ccc(cc1Cl)C(F)(F)F,0 +Clc1cc(ccc1Oc1ccc(c(c1)F)N)C(F)(F)F,1 +O=C(N(C)C)Nc1cccc(c1)C(F)(F)F,0 +CNC(=O)Nc1cccc(c1)C(F)(F)F,0 +COP(=O)(OC=C(Cl)Cl)OC,1 +[O-]P(=O)(OC)O,0 +CC1COC(O1)(Cn1cncn1)c1ccc(cc1Cl)Oc1ccc(cc1)Cl,0 +Clc1ccc(cc1)Oc1ccc(c(c1)Cl)C(=O)O,0 +c1ncn[nH]1,0 +Clc1ccc(cc1)Oc1ccc(c(c1)Cl)C(=O)Cn1cncn1,0 +Clc1ccc(cc1)Oc1ccc(c(c1)Cl)C(Cn1cncn1)O,0 +CNC(=O)CSP(=S)(OC)OC,1 +CNC(=O)CSP(=O)(OC)OC,1 +O=C(NC(=O)c1c(F)cccc1F)Nc1cc(Cl)c(c(c1F)Cl)F,0 +Fc1c(N)cc(c(c1Cl)F)Cl,0 +NC(=O)Nc1cc(Cl)c(c(c1F)Cl)F,0 +[O-]C(=O)C(CCP(=O)(O)C)N.[NH4+],0 +CC(=O)NC(C(=O)O)CCP(=O)(O)C,0 +OC(=O)CCP(=O)(O)C,0 +OC(=O)CP(=O)(O)C,0 +COc1nc(nc(c1)OC)NC(=O)NS(=O)(=O)c1n(C)nc(c1C(=O)OC)Cl,0 +OC(=O)c1c(Cl)nn(c1S(=O)(=O)N)C,0 +COc1cc(OC)nc(n1)Cc1n(C)nc(c1C(=O)O)Cl,0 +Clc1ccc(c(c1)Cl)C(Cn1cncn1)COC(C(F)F)(F)F,0 +OC(=O)C(c1ccc(cc1Cl)Cl)Cn1cncn1,0 +OC(=O)Cn1cncn1,0 +Clc1ccc(c(c1)Cl)C(Cn1cncn1)COC(C(=O)O)(F)F,0 +Clc1cc(cnc1CNC(=O)c1c(Cl)cccc1Cl)C(F)(F)F,1 +NC(=O)c1c(Cl)cccc1Cl,0 +OC(=O)c1ncc(cc1Cl)C(F)(F)F,0 +NC(=O)c1c(Cl)ccc(c1Cl)O,0 +CS(=O)c1cc(cnc1C(=O)O)C(F)(F)F,0 +OC(=O)c1ccc(cc1S(=O)(=O)O)C(F)(F)F,0 +Oc1ncc(cc1S(=O)(=O)C)C(F)(F)F,0 +O=C1CCCC(=O)C1C(=O)c1ccc(c(c1Cl)COCC(F)(F)F)S(=O)(=O)C,0 +OC(=O)c1ccc(c(c1Cl)COCC(F)(F)F)S(=O)(=O)C,0 +O=C1C(O)CC(C(=O)C1C(=O)c1ccc(c(c1Cl)COCC(F)(F)F)S(=O)(=O)C)O,0 +OCc1c(Cl)c(ccc1S(=O)(=O)C)C(=O)O,0 +O=C1CCCc2c1c(=O)c1c(o2)c(COCC(F)(F)F)c(cc1)S(=O)(=O)C,0 +Cn1nc(c(c1)C(=O)Nc1ccccc1c1cc(F)c(c(c1)F)F)C(F)F,0 +Cn1nc(c(c1)C(=O)O)C(F)F,0 +FC(C1=C(C=N[N]1)C(=O)O)F,0 +OC[C@H]1O[C@@H](On2nc(c(c2)C(=O)Nc2ccccc2c2cc(F)c(c(c2)F)F)C(F)F)[C@@H]([C@H]([C@@H]1O)O)O,0 +COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c1ccsc1C(=O)OC,0 +COc1nc(C)nc(n1)N,0 +OC(=O)c1sccc1S(=O)(=O)N,0 +COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c1ccsc1C(=O)O,0 +NC(=O)Nc1nc(C)nc(n1)C(=O)C,0 +O=C1NS(=O)(=O)c2c1scc2,0 +Cc1nc(nc(n1)O)NC(=O)NS(=O)(=O)c1ccsc1C(=O)O,0 +COC(=O)c1sccc1S(=O)(=O)N,0 +[O-][N+](=O)/N=C\1/N(Cc2cnc(s2)Cl)COCN1C,0 +[O-][N+](=O)NC(=NC)NCc1cnc(s1)Cl,0 +CN1COCN(C1=N)Cc1cnc(s1)Cl,0 +Nc1nc2c([nH]1)cccc2,0 +ClC(SN1C(=O)c2c(C1=O)cccc2)(Cl)Cl,1 +COc1ncc(c2n1nc(n2)S(=O)(=O)Nc1c(F)cccc1F)F,0 +Fc1cccc(c1NS(=O)(=O)c1nn2c(n1)c(F)cnc2O)F,0 +OC(=O)c1n[nH]c(n1)S(=O)(=O)N,0 +NS(=O)(=O)c1ncn[nH]1,0 +Oc1cccc2c1OC(C2O)(C)C,0 +Clc1ccc(c(c1)Cl)C1(C=CCO1)Cn1cncn1,0 +N#Cc1ccccc1Oc1ncnc(c1)Oc1ccccc1C(=O)O,0 +COC(=O)[C@H](N(c1c(C)cccc1C)C(=O)CC(=O)O)C,0 +COC(=O)C(N(c1c(C)cccc1C(=O)O)C(=O)CC(=O)O)C,0 +OC(=O)CC(=O)N(c1c(C)cccc1C(=O)O)C(C(=O)O)C,0 +CC(N1C(=O)SCN(C1=O)c1ccccc1)C,0 +CC(N(C(=O)NC(C)(C)C)C(=O)Nc1ccccc1)C,0 +CC(NC(=O)Nc1ccccc1)C,0 +CC(N(C(=S)NC(C)(C)C)C(=O)Nc1ccccc1)C,0 +OCc1nn(c(=O)n1C(F)F)c1cc(CCC(=O)O)c(cc1F)Cl,0 +CCS(=O)C(CC(CC(=O)O)CC(=O)O)C,0 +CCS(=O)(=O)C(CC(CC(=O)O)CC(=O)O)C,0 +Brc1nn(c(c1)C(=O)N)c1ncccc1Cl,0 +C[C@H](C(=O)O)Oc1ccc(cc1)Oc1ccc(cc1F)C(=O)O,0 +C=CCOC(c1ccc(cc1Cl)Cl)Cn1cncc1,0 +CC(C1(C)N=C(NC1=O)c1nc2ccccc2cc1C(=O)O)C,0 +[O-][N+](=O)/N=C/1\NCCN1Cc1ccc(nc1)Cl,0 +CC(C1CCC(C1(O)Cn1ncnc1)Cc1ccc(cc1)Cl)C,0 +CO/N=C(\c1ccccc1COc1ccccc1C)/C(=O)OC,0 +CO/N=C(\c1ccccc1COc1ccccc1CO)/C(=O)O,0 +CO/N=C(\c1ccccc1COc1ccc(cc1C)O)/C(=O)O,0 +CO/N=C(\c1ccccc1COc1cc(O)ccc1C)/C(=O)O,0 +CC(OC(=O)NC(C(=O)NC(c1ccc(cc1)C)C)C(C)C)C,0 +CCC(c1noc(c1)NC(=O)c1c(OC)cccc1OC)(CC)C,0 +Cc1ccc(cc1)C(N)C,0 +[O-][N+](=O)NC1=NCC(N1Cc1ccc(nc1)Cl)O,0 +[O-][N+](=O)NC1=NC(CN1Cc1ccc(nc1)Cl)O,0 +[O-][N+](=O)Nc1nccn1Cc1ccc(nc1)Cl,0 +O=N/N=C/1\NCCN1Cc1ccc(nc1)Cl,0 +CCc1noc(c1)NC(=O)c1c(OC)cccc1OC,0 +COc1cccc(c1C(=O)N)OC,0 +O=c1[nH]c2CCCc2c(=O)n1C1CCCCC1,0 +[O-]S(=O)(=O)[O-].[Fe+2],0 +CO/N=C(\c1ccccc1COc1ccccc1C)/C(=O)O,0 +CC(C1C2CCC1c1c2cccc1NC(=O)c1cn(nc1C(F)F)C)C,0 +Cn1nc(c(c1)C(=O)Nc1cccc2c1[C@@H]1CC[C@H]2[C@@H]1C(O)(C)C)C(F)F,0 +Cn1nc(c(c1)C(=O)Nc1cccc2c1[C@H]1CC[C@@H]2[C@H]1C(O)(C)C)C(F)F,0 +CCOC(=O)CC(C(=O)OCC)SP(=S)(OC)OC,0 +OC(=O)CCCc1c[nH]c2c1cccc2,0 +CC1OC(C)OC(OC(O1)C)C,0 +CON(C(=O)Nc1ccc(cc1)Br)C,0 +Fc1ccc(cc1)NC(=O)c1cccc(n1)Oc1cccc(c1)C(F)(F)F,0 +O=C(N(C)C)Nc1ccc(cc1)C(C)C,1 +OC(=O)c1nc(Cl)c(c(c1Cl)N)Cl,0 +CC(Oc1ccccn1)COc1ccc(cc1)Oc1ccccc1,0 +CCCN(C(=O)SCc1ccccc1)CCC,0 +COc1c(OC)cc(c(c1OC)C(=O)c1c(OC)ncc(c1C)Cl)C,0 +[CH2]OC1C(=C(O)C=C([C]1C(=O)c1c(OC)ncc(c1C)Cl)C)OC,0 +O=c1c(Cl)c(SCc2ccc(cc2)C(C)(C)C)cnn1C(C)(C)C,0 +OC(=O)C(c1ccc(cc1)CSc1cnn(c(=O)c1Cl)C(C)(C)C)(C)C,0 +CCCCCCC(c1cc(cc(c1OC(=O)C=CC)[N+](=O)[O-])[N+](=O)[O-])C,0 +C[N+]1(C)CCCCC1.[Cl-],0 +OC1CC[N+](CC1)(C)C.[Cl-],0 +CNC(=O)O/N=C(/C(=O)N(C)C)\SC,0 +CN(C(=O)C#N)C,0 +CCOC(=O)COc1cc(c(cc1Cl)F)c1nn(c(c1Cl)OC(F)F)C,0 +CNC(=O)ON=C(SC)C,0 +COc1c(OC)cc(c(c1OC)C(=O)c1c(OC)ccc(c1C)Br)C,0 +CCC(=C1C(=O)CC(CC1=O)C(=O)O)[O-].CCC(=C1C(=O)CC(CC1=O)C(=O)O)[O-].[Ca+2],0 +CCCn1c(OCCC)nc2c(c1=O)cc(cc2)I,0 +CCCn1c(OCCC)nc2c(c1=O)cccc2,0 +Cc1cc(C)nc(n1)Nc1ccccc1,0 +Cc1cc(C)nc(n1)N,0 +CC(Oc1cc(c(cc1Cl)Cl)n1nc(oc1=O)C(C)(C)C)C,1 +CNC(=O)Oc1cc(C)c(c(c1)C)SC,0 +C=CC=CCC1=C(C)C(CC1=O)OC(=O)C1C(C1(C)C)C=C(C)C.C=CC=CCC1=C(C)C(CC1=O)OC(=O)C1C(C1(C)C)C=C(C(=O)OC)C,0 +Cc1nnc(c(=O)n1N)c1ccccc1,0 +Cc1n[n+]([O-])c(c(=O)n1N)c1ccccc1,1 +COCC(=O)N(c1c(C)cccc1C)C(C(=O)OC)C,0 +C#CCOC(c1ccc(cc1)Cl)C(=O)NCCc1ccc(c(c1)OC)OCC#C,0 +C#CCOC(c1ccc(cc1)Cl)C(=O)NCCC(=O)O,0 +O=C(NC(=O)c1c(F)cccc1F)Nc1cc(Cl)c(cc1Cl)OC(C(C(F)(F)F)F)(F)F,0 +FC(C(Oc1cc(Cl)c(cc1Cl)N)(F)F)C(F)(F)F,0 +COc1cc(OC)n2c(n1)nc(n2)S(=O)(=O)Nc1c(Cl)ccc(c1Cl)C,0 +NC1=NN=C([N]1)S(=O)(=O)Nc1c(Cl)ccc(c1Cl)C,0 +COc1cc(O)n2c(n1)nc(n2)S(=O)(=O)Nc1c(Cl)ccc(c1Cl)C,0 +Oc1cc(O)n2c(n1)nc(n2)S(=O)(=O)Nc1c(Cl)ccc(c1Cl)C,0 +N#Cc1ccc(cc1)CC(=NNC(=O)Nc1ccc(cc1)OC(F)(F)F)c1cccc(c1)C(F)(F)F,0 +N#Cc1ccc(cc1)C1(O)N(C(=O)NN=C1c1cccc(c1)C(F)(F)F)c1ccc(cc1)OC(F)(F)C,0 +OC(=O)c1cccc(c1)C(F)(F)F,0 +N#Cc1ccc(cc1)CC(=O)c1cccc(c1)C(F)(F)F,0 +N#Cc1ccc(cc1)C(=O)O,0 +COc1cc(OC)n2c(n1)nc(n2)NS(=O)(=O)c1c(OC)nccc1C(F)(F)F,0 +COc1nc2nc(nn2c(c1Cl)O)NS(=O)(=O)c1c(OC)nccc1C(F)(F)F,0 +COc1nccc(c1S(=O)(=O)O)C(F)(F)F,0 +COc1nccc(c1S(=O)(=O)N)C(F)(F)F,0 +Clc1ccccc1CC(C1(Cl)CC1)(Cn1[nH]cnc1=S)O,0 +Clc1ccccc1CC(C1(Cl)CC1)(Cn1nccc1S(=O)(=O)O)O,0 +Clc1ccccc1CC(C1(Cl)CC1)(Cn1nc[nH]c1=O)O,0 +Clc1ccccc1C(C(C1(Cl)CC1)(Cn1cncn1)O)O,0 +CC(=O)OC(C(C1(Cl)CC1)(Cn1cncn1)O)c1ccccc1Cl,0 +OCC(C1(Cl)CC1)(Cc1ccccc1Cl)O,0 +COc1ncc(c2n1nc(n2)NS(=O)(=O)c1c(cccc1C(F)(F)F)OCC(F)F)OC,0 +COc1cnc(n2c1nc(n2)NS(=O)(=O)c1c(cccc1C(F)(F)F)OCC(F)F)O,0 +FC(COc1cccc(c1S(=O)(=O)Nc1nnc([nH]1)C(=O)O)C(F)(F)F)F,0 +FC(COc1cccc(c1S(=O)(=O)NC1=NN=C[N]1)C(F)(F)F)F,0 +CCCCCCCCSC(=O)Oc1cc(Cl)nnc1c1ccccc1,0 +Clc1nnc(c(c1)O)c1ccccc1,0 +COc1cc(Cl)nnc1c1ccccc1,0 +COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c1ccccc1CCC(F)(F)F,0 +NC(=N)NC(=O)NS(=O)(=O)c1ccccc1CCC(F)(F)F,0 +FC(CCc1ccccc1S(=O)(=O)N)(F)F,0 +ClC(=CCOc1cc(Cl)c(c(c1)Cl)OCCCOc1cccc(n1)C(F)(F)F)Cl,0 +O=c1[nH]cc(cc1O)C(F)(F)F,1 +CCCN(c1c(cc(cc1[N+](=O)[O-])S(=O)(=O)N)[N+](=O)[O-])CCC,0 +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 +Cl/C(=C\[C@H]1[C@H](C1(C)C)C(=O)O)/C(F)(F)F,0 +Cl/C(=C\[C@@H]1[C@@H](C1(C)C)C(=O)O)/C(F)(F)F,0 +NC(=O)C(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)/C=C(/C(F)(F)F)\Cl,0 +N#CC(c1cccc(c1)Oc1ccccc1)O,0 +OCc1cccc(c1)Oc1ccccc1,0 +OC(=O)C(c1cccc(c1)Oc1ccccc1)O,0 +CC1=NNC(=O)N(C1)N=Cc1cccnc1,0 +CC1=NNC(=O)N(C1)N,0 +O=Cc1cccnc1,0 +O=C([C@H](Oc1ccc(cc1)Oc1cnc2c(n1)ccc(c2)Cl)C)OCCO/N=C(\C)/C,0 +CCCOC(=O)NCCC[NH+](C)C.[Cl-],0 +CSc1nnc(c(=O)n1N)C(C)(C)C,0 +O=c1[nH]c(=O)[nH]nc1C(C)(C)C,0 +NC(C(=O)O)Cc1ncn[nH]1,0 +CCCN(C(=O)n1cncc1)CCOc1c(Cl)cc(cc1Cl)Cl,0 +CCCN(C(=O)N)CCOc1c(Cl)cc(cc1Cl)Cl,0 +CCCN(C(=O)NC=O)CCOc1c(Cl)cc(cc1Cl)Cl,0 +CN(C(=O)Oc1nc(nc(c1C)C)N(C)C)C,0 +CNc1nc(C)c(c(n1)O)C,0 +CN(c1nc(C)c(c(n1)O)C)C,0 +CCN(c1nc(cc(n1)C)OP(=S)(OC)OC)CC,1 +O=C(c1ccc(cc1S(=O)(=O)C)C(F)(F)F)c1cnoc1C1CC1,0 +N#CC(C(=O)c1ccc(cc1S(=O)(=O)C)C(F)(F)F)C(=O)C1CC1,0 +OC(=O)c1ccc(cc1S(=O)(=O)C)C(F)(F)F,0 +CCc1cc(C)cc(c1c1c(OC(=O)C(C)(C)C)n2n(c1=O)CCOCC2)CC,0 +CCc1cc(C)cc(c1C1(O)C(=O)N2N(C1=O)CCOCC2)CC,0 +CCc1cc(cc(c1c1c(O)n2n(c1=O)CCOCC2)CC)C(=O)O,0 +CCc1cc(CO)cc(c1C1(O)C(=O)N2N(C1=O)CCOCC2)CC,0 +Clc1ccc(cc1)CN(C(=O)Nc1ccccc1)C1CCCC1,0 +Clc1ccc(cc1)CNC1CCCC1,0 +CCOP(=S)(SCn1c(=O)oc2c1ccc(c2)Cl)OCC,0 +Clc1ccc2c(c1)oc1-c(n2)cc(c(=O)c1)N,1 +CC(CC(c1ccccc1NC(=O)c1c(C)nn(c1F)C)C)C,0 +CC(c1ccccc1NC(=O)c1c(C)nn(c1F)C)CC(O)(C)C,0 +O=C(c1c(C)nn(c1F)C)Nc1ccccc1C(=O)C,0 +CCOc1cc(ccc1[N+](=O)[O-])Oc1ccc(cc1Cl)C(F)(F)F,1 +OC(C(C)(C)C)C(n1ncnc1)Cc1ccc(cc1)Cl,0 +OC(C(=O)O)Cn1cncn1,0 +COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)Nc1ccccc1C(=O)N(C)C,0 +O=C(c1ccccc1NS(=O)(=O)O)N(C)C,0 +COc1nc(NC(=O)N)nc(c1)OC,0 +COc1nc(NC(=O)NOS(=O)Nc2ccccc2C(=O)N(C)C)nc(c1)O,0 +COP(=S)(SCN1C(=O)c2c(C1=O)cccc2)OC,1 +[O-]P([O-])[O-].[K+].[K+].[K+],0 +[O-][P+](=O)OCC.[O-][P+](=O)OCC.[O-][P+](=O)OCC.[Al+3],0 +OP(O)O,0 +CCS(=O)CCSP(=O)(OC)OC,1 +CCCCC(c1ccc(cc1)Cl)(Cn1cncn1)C#N,0 +N#CC(c1ccc(cc1)Cl)(Cn1cncn1)CC(=O)O,0 +ClCC(=O)N(c1c(C)cccc1C)Cn1cccn1,0 +NC(=O)C(=O)N(c1c(C)cccc1C)Cn1cccn1,0 +O=C(N(c1c(C)cccc1C)Cn1cccn1)CS(=O)(=O)O,0 +[Na]OS(=O)(=O)CC(=O)N(c1c(C)cccc1C)Cn1cccn1,0 +O=S(CC(=O)N(c1c(C)cccc1C)Cn1cccn1)CC(=O)O,0 +CS(=O)CC(=O)N(c1c(C)cccc1C)Cn1cccn1,0 +OC(=O)C(=O)N(c1c(C)cccc1C(=O)O)Cn1cccn1,0 +O=S(CC(C(=O)O)O)CC(=O)N(c1c(C)cccc1C)Cn1cccn1,0 +CCCC(c1ccc(cc1Cl)Cl)Cn1cncn1,0 +OC1(Cn2ncnc2)C(CCC1(C)C)Cc1ccc(cc1)Cl,0 +O=C1CCCC(=O)C1C(=O)c1ccc(cc1[N+](=O)[O-])S(=O)(=O)C,1 +O=N(=O)c1cc(ccc1C(=O)O)S(=O)(=O)C,0 +OC(=O)c1ccc(cc1N)S(=O)(=O)C,0 +[S-]C(=S)NC.[Na+],1 +CN=C=O,0 +CCN(C(=O)C(Oc1cccc2c1cccc2)C)CC,0 +OC(=O)C(Oc1cccc2c1cccc2)C,0 +CC1=CC[C@@H](CC1)C(=C)C,0 +O=C1C=C(O)c2c(C1=O)cccc2,0 +CNC(=O)Nc1ccc(cc1)C(C)C,0 +COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c1ccccc1C(=O)OC,0 +COC(=O)c1ccccc1S(=O)(=O)NC(=O)N,0 +COC(=O)c1ccccc1S(=O)(=O)N,0 +COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)c1ncccc1C(=O)N(C)C,0 +CN(C(=O)c1cccnc1S(=O)(=O)N)C,0 +NC(=N)NC(=O)NS(=O)(=O)c1ncccc1C(=O)N(C)C,0 +O=C(NS(=O)(=O)c1ncccc1C(=O)N(C)C)NC(=O)N,0 +CNC(=O)c1cccnc1S(=O)(=O)N,0 +COc1nc(nc(c1)O)NC(=O)NS(=O)(=O)c1ncccc1C(=O)N(C)C,0 +COCC(=O)N(c1c(C)cccc1C(=O)O)C(C(=O)O)C,0 +COCC(=O)N(c1c(C)cccc1C)C(C(=O)O)C,0 +COCC(=O)Nc1c(C)cccc1C,0 +CCNc1nc(Cl)nc(n1)NC(C)(C)C,0 +Nc1nc(nc(n1)O)NC(C)(C)C,0 +CCNc1nc(O)nc(n1)NC(C)(C)C,0 +Nc1nc(N)nc(n1)Cl,0 +Nc1nc(nc(n1)Cl)NC(C)(C)C,0 +Oc1nc2NC(C(n2c(=O)n1)O)(C)C,0 +CC(Nc1nc(O)nc(n1)O)(C)C,0 +Cn1c(O)nc(nc1=O)NC(C)(C)C,0 +CCOC(=O)CC(C(=O)O)SP(=S)(OC)OC,0 +COP(=S)(SC(C(=O)O)CC(=O)O)OC,0 +CCOC(=O)CC(C(=O)OCC)SP(=S)(OC)O,0 +Cc1cccc(c1N)C,0 +CNC(=O)Nc1ccc(cc1)Br,0 +NC(=O)Nc1ccc(cc1)Br,0 +CONC(=O)Nc1ccc(cc1)Br,0 +Oc1cccc2c1cccc2,0 +COc1cc(O)nc(n1)NC(=O)N,0 +OCC(c1ccc(cc1)NC(=O)N(C)C)C,0 +O=C(N(C)C)Nc1ccc(cc1)C(O)(C)C,0 +CC(c1ccc(cc1)NC(=O)N)C,0 +CC(c1ccc(cc1)NC(=O)N(C)C)C(=O)O,0 +ClCCP(=O)(O)O,0 +OCCP(=O)(O)O,0 +OC(=O)/C=C(\C=C\[C@@]1(O)C(=CC(=O)CC1(C)C)C)/C,0 +[O-]Cl.[Na+],1 +FS(=O)(=O)F,0 +O=C1CCCC(=O)C1C(=O)c1ccc(cc1Cl)S(=O)(=O)C,1 +OC(=O)c1ccc(cc1Cl)S(=O)(=O)C,0 +COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)c1n2ccccc2nc1S(=O)(=O)CC,0 +CCS(=O)(=O)c1nc2n(c1S(=O)(=O)NC(=O)NC(=N)N)cccc2,0 +CCS(=O)(=O)c1nc2n(c1S(=O)(=O)NC(=O)NC(=O)N)cccc2,0 +Clc1ccc(cc1)CCC(C(C)(C)C)(Cn1cncn1)O,0 +CCc1nn(c(c1Cl)C(=O)NCc1ccc(cc1)C(C)(C)C)C,0 +CCc1nn(c(c1Cl)C(=O)Nc1ccc(cc1)C(C(=O)O)(C)C)C,0 +CCc1nn(c(c1Cl)C(=O)N)C,0 +c1scc(n1)c1nc2c([nH]1)cccc2,0 +Cc1ccc(c(c1)O)C(C)C,0 +COP(=S)(Oc1c(Cl)cc(cc1Cl)C)OC,0 +Cc1c(ccc(c1C1=NOCC1)S(=O)(=O)C)C(=O)c1c[nH]n(c1=O)C,1 +OC(=O)c1ccc(c(c1C)C1=NOCC1)S(=O)(=O)C,0 +Clc1ccc2c(c1)[n+]([O-])nc(n2)n1cncc1,0 +COc1nc(C)nc(n1)N(C(=O)NS(=O)(=O)c1ccccc1C(=O)OC)C,0 +COP(=O)(C(C(Cl)(Cl)Cl)O)OC,0 +OC(=O)COc1nc(Cl)c(cc1Cl)Cl,0 +CCCCOCCOC(=O)COc1nc(Cl)c(cc1Cl)Cl,0 +CCCOCC(=Nc1ccc(cc1C(F)(F)F)Cl)n1cncc1,0 +CCOC(=O)C1CC(=O)C(=C(C2CC2)O)C(=O)C1,0 +OC(=O)C(CC(=O)O)CC(=O)O,0 +O=C(/C=C(/C1CC1)\O)CC(C(=O)O)CC(=O)O,0 +O=C(c1c(O)cc(cc1O)C(=O)O)C1CC1,0 +OC1(Cn2ncnc2)C(=Cc2ccc(cc2)Cl)CCC1(C)C,0 +O[C@@H](C1/C(=C/c2ccc(cc2)Cl)/[C@@H](CC1(C)C)O)Cn1cncn1,0 +OC1(Cn2ncnc2)/C(=C/c2ccc(cc2)Cl)/CCC1(C)C,0 +COC(=O)CC(c1ccc(cc1)Cl)NC(=O)[C@H](C(C)C)NC(=O)OC(C)C,0 +OC(=O)CC(c1ccc(cc1)Cl)NC(=O)[C@H](C(C)C)NC(=O)OC(C)C,0 +CCCN(c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])CCC,0 +COCCOc1cccc2c1c(=O)c(nn2c1ccc(cc1)Cl)C(=O)O,0 +OCCOc1cccc2c1c(=O)c(nn2c1ccc(cc1)Cl)C(=O)O,0 +ClCCOc1ccccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(n1)OC,0 +COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)O,0 +CCONC(=C1C(=O)CC(CC1=O)c1c(C)cc(cc1C)C)CC,0 +COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)c1ncccc1S(=O)(=O)CC,0 +CCS(=O)(=O)c1cccnc1S(=O)(=O)N,0 +COc1cc(OC)nc(n1)N(c1ncccc1S(=O)(=O)CC)C(=O)N,0 +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 +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 +O=CN[C@H]1CC[C@@H](O[C@@H]1C)OC1CCC[C@H](CC)OC(=O)C[C@@H]2C(=C[C@@H]3[C@H]2CC[C@H]2[C@H]3C[C@@H](C2)OC2O[C@@H](C)[C@@H]([C@H]([C@H]2OC)OCC)OC)C(=O)[C@@H]1C,0 +O=CN[C@H]1CC[C@@H](O[C@@H]1C)OC1CCC[C@H](CC)OC(=O)C[C@@H]2C(=C[C@@H]3[C@H]2C=C([C@H]2[C@H]3C[C@@H](C2)OC2O[C@@H](C)[C@@H]([C@H]([C@H]2OC)OCC)OC)C)C(=O)[C@@H]1C,0 +NC1=C(Cl)C(=O)c2c(C1=O)cccc2,0 +CC(N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C)C,1 +ClC(=C(Cl)Cl)CS(=O)(=O)O,0 +COC(=O)c1csc(c1S(=O)(=O)NC(=O)n1nc(n(c1=O)C)OC)C,0 +COc1nn(c(=O)n1C)C(=O)NS(=O)(=O)c1c(C)scc1C(=O)O,0 +COC(=O)c1csc(c1S(=O)(=O)N)C,0 +COC(=O)c1csc(c1S(=O)(=O)NC(=O)n1nc([nH]c1=O)OC)C,0 +O=C(NC(=O)c1ccccc1Cl)Nc1ccc(cc1)OC(F)(F)F,0 +FC(Oc1ccc(cc1)N)(F)F,0 +O=C1OC(C(=O)N1Nc1ccccc1)(C)c1ccc(cc1)Oc1ccccc1,0 +CCOC(=O)[C@H](Oc1ccc(cc1)Oc1cnc2c(n1)ccc(c2)Cl)C,0 +Clc1ccc2c(c1)ncc(n2)Oc1ccc(cc1)OC(C(=O)OCC1CCCO1)C,0 +O=CNc1ccc(c(c1)S(=O)(=O)NC(=O)Nc1nc(OC)cc(n1)OC)C(=O)N(C)C,0 +N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)[C@@H](C(C)C)Nc1ccc(cc1Cl)C(F)(F)F,0 +Nc1ccc(cc1Cl)C(F)(F)F,0 +CC(C(C(=O)O)Nc1ccc(cc1Cl)C(F)(F)F)C,0 +N#CC(C(C(C)C)Nc1ccc(cc1Cl)C(F)(F)F)c1cccc(c1)Oc1ccccc1,0 +COc1ccc(cc1[O-])[N+](=O)[O-].[Na+],0 +[O-][N+](=O)c1ccccc1[O-].[Na+],0 +[O-]c1ccc(cc1)[N+](=O)[O-].[Na+],0 +CCC(C(=O)OC1=C(C(=O)OC21CCCCC2)c1cc(Cl)cc(c1)Cl)(C)C,0 +OC[C@H]1O[C@@H](OCc2ccc(cc2)NS(=O)(=O)N(C)C)C[C@@H]([C@@H]([C@@H]1O)O)O,0 +Cc1ccc(cc1)N(S(=O)(=O)N(C)C)SC(Cl)(Cl)F,0 +OCc1ccc(cc1)NS(=O)(=O)N(C)C,0 +OCC1OC(Oc2cc(C)ccc2NS(=O)(=O)N(C)C)C(C(C1O)O)O,0 +Cc1ccc(c(c1)O)NS(=O)(=O)N(C)C,0 +O=C(CC(C)(C)C)OC1=C(C(=O)OC21CCCC2)c1c(C)cc(cc1C)C,0 +CCCN(CC1COC2(O1)CCC(CC2)C(C)(C)C)CC,0 +CCC[N+](CC1COC2(O1)CCC(CC2)C(C)(C)C)(CC)[O-],0 +O=C(C1(C)CCCCC1)Nc1ccc(c(c1Cl)Cl)O,0 +CCOC(=O)OC1=C(C(=O)NC21CCC(CC2)OC)c1cc(C)ccc1C,0 +COC1CCC2(CC1)NC(=O)C(C2=O)(O)c1cc(C)ccc1C,0 +OC1CCC2(CC1)NC(=O)C(C2=O)(O)c1cc(C)ccc1C,0 +OC1CCC2(CC1)NC(=O)C(C2O)(O)c1cc(C)ccc1C,0 +COC1CCC2(CC1)NC(=O)C(C2O)c1cc(C)ccc1C,0 +Clc1cc(cnc1Nc1c(cc(c(c1[N+](=O)[O-])Cl)C(F)(F)F)[N+](=O)[O-])C(F)(F)F,0 +Clc1cc(cnc1Nc1c(cc(c(c1[N+](=O)[O-])O)C(F)(F)F)[N+](=O)[O-])C(F)(F)F,1 +Clc1cc(cnc1Nc1c(cc(c(c1N)Cl)C(F)(F)F)[N+](=O)[O-])C(F)(F)F,0 +CSC1=NC(C(=O)N1Nc1ccccc1)(C)c1ccccc1,0 +O=C1NC(=O)N[C@@]1(C)c1ccccc1,0 +O=C1N[C@@](C(=O)N1Nc1ccccc1)(C)c1ccccc1,0 +CSC1=N[C@@](C(=O)N1)(C)c1ccccc1,0 +CCOC(=O)NCCOc1ccc(cc1)Oc1ccccc1,0 +CCOP(=O)(Oc1ccc(c(c1)C)SC)NC(C)C,0 +CC(c1ccccc1)(C[Sn](O[Sn](CC(c1ccccc1)(C)C)(CC(c1ccccc1)(C)C)CC(c1ccccc1)(C)C)(CC(c1ccccc1)(C)C)CC(c1ccccc1)(C)C)C,0 +COP(=S)(Oc1ccc(c(c1)C)[N+](=O)[O-])OC,1 +CC(Cc1ccc(cc1)C(C)(C)C)CN1C[C@H](C)O[C@@H](C1)C,0 +O=C(c1cccc(c1C(=O)NC(CS(=O)(=O)C)(C)C)I)Nc1ccc(cc1C)C(C(F)(F)F)(C(F)(F)F)F,0 +O=C(c1ccccc1C(=O)Nc1ccc(cc1C)C(C(F)(F)F)(C(F)(F)F)F)NC(CS(=O)(=O)C)(C)C,0 +O=C(c1cccc(c1C(=O)NC(CS(=O)(=O)C)(C)C)O)Nc1ccc(cc1C)C(C(F)(F)F)(C(F)(F)F)F,0 +N#CCNC(=O)c1cnccc1C(F)(F)F,0 +OC(=O)c1cnccc1C(F)(F)F,0 +NC(=O)c1cnccc1C(F)(F)F,0 +O=C(c1cnccc1C(F)(F)F)NCC(=O)O,0 +O=C(c1cnccc1C(F)(F)F)NCC(=O)N,0 +Oc1ncc(c(c1)C(F)(F)F)C(=O)O,0 +CO/N=C(\c1ccccc1Oc1ncnc(c1F)Oc1ccccc1Cl)/C1=NOCCO1,0 +CO/N=C(\c1ccccc1Oc1ncnc(c1F)O)/C1=NOCCO1,0 +CC(Cc1ccc(cc1)C(C)(C)C)CN1CCCCC1,0 +CC(C[N+]1([O-])CCCCC1)Cc1ccc(cc1)C(C)(C)C,0 +Clc1ccc(c(c1)Cl)n1c(nc2c(c1=O)cc(cc2)F)n1cncn1,0 +Clc1ccc(c(c1)Cl)n1c(=O)[nH]c2c(c1=O)cc(cc2)F,0 +C#CCN1C(=O)COc2c1cc(c(c2)F)N1C(=O)C2=C(C1=O)CCCC2,0 +Cc1cnc2c(c1)ccc(c2C(=O)O)Cl,0 +OC(=O)c1c(Cl)ccc2c1nc(O)c(c2)C,0 +OC(=O)c1cnc2c(c1)ccc(c2C(=O)O)Cl,1 +N#CN=S(=O)(C(c1ccc(nc1)C(F)(F)F)C)C,0 +NC(=O)N=S(=O)(C(c1ccc(nc1)C(F)(F)F)C)C,0 +CC(c1ccc(nc1)C(F)(F)F)O,0 +CCc1ccc(nc1)C(F)(F)F,0 +CC(S(=O)(=N)C)c1ccc(nc1)C(F)(F)F,0 +CC(S(=O)(=O)C)c1ccc(nc1)C(F)(F)F,0 +ClCC1CN(C(=O)C1Cl)c1cccc(c1)C(F)(F)F,0 +CNC(=O)Oc1cccc(c1)N=CN(C)C.Cl,0 +c1coc(c1)c1nc2c([nH]1)cccc2,0 +CCOC(=O)[C@H](Oc1ccc(cc1)Oc1nc2c(o1)cc(cc2)Cl)C,0 +CCOC(=O)C(Oc1ccc(cc1)Oc1nc2c(o1)cc(cc2)Cl)C,0 +CCCCCCC(OC(=O)COc1nc(F)c(c(c1Cl)N)Cl)C,0 +[O-]P(=O)([O-])[O-].[Fe+3],0 +Cn1nc(c(c1)C(=O)Nc1ccccc1C1CC1C1CC1)C(F)F,0 +CC(Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F)C,0 +Clc1cc(cnc1CCNC(=O)c1ccccc1C(F)(F)F)C(F)(F)F,0 +C[C@@H]1N(C(=O)NC2CCCCC2)C(=O)S[C@H]1c1ccc(cc1)Cl,0 +C[C@@H]1N(C(=O)N)C(=O)S[C@H]1c1ccc(cc1)Cl,0 +O=C1CCCC(C1)NC(=O)N1C(=O)SC(C1C)c1ccc(cc1)Cl,0 +O[C@H]1CCCC[C@@H]1NC(=O)N1C(=O)S[C@H]([C@@H]1C)c1ccc(cc1)Cl,0 +O[C@@H]1CC[C@H](CC1)NC(=O)N1C(=O)S[C@@H]([C@H]1C)c1ccc(cc1)Cl,0 +OC1CCCC(C1)NC(=O)N1C(=O)SC(C1C)c1ccc(cc1)Cl,0 +C[C@@H]1NC(=O)S[C@H]1c1ccc(cc1)Cl,0 +O[C@@H]1CC[C@@H](CC1)NC(=O)N1C(=O)S[C@H]([C@@H]1C)c1ccc(cc1)Cl,0 +O=C1CCC(CC1)NC(=O)N1C(=O)S[C@@H]([C@H]1C)c1ccc(cc1)Cl,0 +N#CC(c1ccccc1)(Cn1cncn1)CCc1ccc(cc1)Cl,0 +Clc1ccc(cc1)[C@H]1OC(=O)[C@@](C1)(Cn1cncn1)c1ccccc1,0 +Clc1ccc(cc1)[C@@H]1OC(=O)[C@@](C1)(Cn1cncn1)c1ccccc1,0 +COc1nc(nc(c1)OC)[N-]C(=O)NS(=O)(=O)c1nc(ccc1C(=O)OC)C(F)(F)F.[Na+],0 +COc1cc(OC)nc(n1)n1c(=O)[nH]c(=O)c2c1nc(cc2)C(F)(F)F,0 +COc1cc(O)nc(n1)n1c(=O)[nH]c(=O)c2c1nc(cc2)C(F)(F)F,0 +OC(=O)c1ccc(nc1S(=O)(=O)N)C(F)(F)F,0 +COC(=O)c1ccc(nc1S(=O)(=O)N)C(F)(F)F,0 +CCc1ccc(cc1)C(=O)NN(C(C)(C)C)C(=O)c1cc(C)cc(c1)C,0 +Cc1cc(C)cc(c1)C(=O)N(C(C)(C)C)NC(=O)c1ccc(cc1)C(=O)C,0 +O=C(c1ccc(cc1)C(=O)O)NN(C(C)(C)C)C(=O)c1cc(C)cc(c1)C,0 +CCc1ccc(cc1)C(=O)NN(C(C)(C)C)C(=O)c1cc(C)cc(c1)CO,0 +O=C(c1ccc(cc1)C(=O)C)NN(C(C)(C)C)C(=O)c1cc(cc(c1)C(=O)O)C(=O)O,0 +OC(=O)Cc1ccc(cc1)C(=O)NN(C(C)(C)C)C(=O)c1cc(C)cc(c1)C,0 +Cc1cc(C)cc(c1)C(=O)N(C(C)(C)C)NC(=O)c1ccc(cc1)C(O)C,0 +CCc1ccc(cc1)C(=O)NN(C(C)(C)C)C(=O)c1cc(C)cc(c1)C=O,0 +O=C(C1C(C1(C)C)/C=C(/C(F)(F)F)\Cl)OCc1c(F)c(F)c(c(c1F)F)C,0 +N#Cc1nn(c(c1S(=O)C(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F,0 +N#Cc1nn(c(c1SC(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F,0 +N#Cc1nn(c(c1S(=O)(=O)C(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F,0 +N#Cc1nn(c(c1C(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F,0 +N#Cc1nn(c(c1S(=O)(=O)O)N)c1c(Cl)cc(cc1Cl)C(F)(F)F,0 +OC(=O)c1nn(c(c1S(=O)C(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F,0 +NC(=O)c1nn(c(c1S(=O)C(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F,0 +Cc1cc(=O)[nH]o1,0 +OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(cc1)Cl,0 +Fc1ccc(cc1)C(c1ccccc1F)(Cn1cncn1)O,0 +C=CCSC(=O)n1c(N)c(c(=O)n1C(C)C)c1ccccc1C,0 +Cc1ccccc1c1c(N)[nH]n(c1=O)C(C)C,0 +OC(=O)[C@H](Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F)C,0 +COC(=O)C(Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F)C,0 +O=c1[nH]cc(cc1Cl)C(F)(F)F,0 +Cn1cc(cc(c1=O)Cl)C(F)(F)F,0 +COC(=O)c1cccc(c1S(=O)(=O)NC(=O)Nc1nc(OCC(F)(F)F)nc(n1)N(C)C)C,0 +Nc1nc(OCC(F)(F)F)nc(n1)N(C)C,0 +CNc1nc(OCC(F)(F)F)nc(n1)N,0 +FC(COc1nc(N)nc(n1)N)(F)F,0 +O=C1NS(=O)(=O)c2c1cccc2C,0 +OC(=O)CNCP(=O)(O)O,0 +NCP(=O)(O)O,0 +CNC1=C(c2cccc(c2)C(F)(F)F)C(=O)C(O1)c1ccccc1,0 +OC(=O)C(F)(F)F,0 +CSC(=NOC(=O)N(SN(C(=O)ON=C(SC)C)C)C)C,0 |