diff options
Diffstat (limited to 'models/mutagenicity-mp2d/crossvalidation/7/test/smiles')
| -rw-r--r-- | models/mutagenicity-mp2d/crossvalidation/7/test/smiles | 831 |
1 files changed, 831 insertions, 0 deletions
diff --git a/models/mutagenicity-mp2d/crossvalidation/7/test/smiles b/models/mutagenicity-mp2d/crossvalidation/7/test/smiles new file mode 100644 index 0000000..93e8732 --- /dev/null +++ b/models/mutagenicity-mp2d/crossvalidation/7/test/smiles @@ -0,0 +1,831 @@ +c1ccc(nc1)c1cccnc1 +Oc1ncnc(n1)O +CC[C@H]1C[N@]2CCc3c([C@H]2C[C@H]1C[C@H]1NCCc2c1cc(OC)c(c2)OC)cc(c(c3)OC)OC.Cl.Cl +O=C(NC(C(=O)O)C)COc1ccc(cc1Cl)Cl +C1CCO1 +Cc1cc(C)c(cc1C)C +O=C1O[C@H]2CC[N@]3[C@@H]2C(=CC3)COC(=O)[C@]([C@]([C@H]1C)(C)O)(C)O +ClCC(CCl)O +OCC1OC(OC2CCC3(C(=CCC4C3CCC3(C4CC4C3C(C)C(O4)(OC)CCC(COC3OC(CO)C(C(C3O)O)O)C)C)C2)C)C(C(C1O)OC1OC(CO)C(C(C1O)O)O)OC1OC(C)C(C(C1O)O)O +COC(=O)c1occ(c1c1ccccc1)c1ccccc1 +ONc1nc2c(n1C)cc(cn2)c1ccccc1 +Clc1ccc2c(c1)c1ccccc1o2 +CC(=O)c1ccc(s1)[N+](=O)[O-] +C/C(=C/CC/C=C(\CC/C=C(\CCC=C(C)C)/C)/C)/CC/C=C(\CCC=C(C)C)/C +Oc1ccc2c(c1N=Nc1ccc3c(c1S(=O)(=O)O)cccc3)cccc2 +Cc1cc2-c3ccccc3Cc2cc1C +C=CCOC(=O)C=C +O=c1c2cccc3c2c2c(c1=O)cccc2cc3 +[O-][N+](=O)c1ccc2c(c1)c1cc(ccc1[nH]2)[N+](=O)[O-] +Nc1cc([N+](=O)[O-])c(cc1F)N +CC(=O)N1CNC(=O)N(C1=O)C(=O)C +CCOC(=O)CC(=O)C +Cn1c2cc(cnc2nc1[N+](=O)[O-])c1ccccc1 +CC(CNCC(C)C)C +Cn1cccc1 +CCc1cccc2c1[nH]c1c2CCO[C@@]1(C)CC +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 +O=C1CCCC(=O)C1C(=O)c1ccc(c(c1Cl)COCC(F)(F)F)S(=O)(=O)C +COCCOC +CNCCN(c1ccccn1)Cc1ccc(cc1)OC +c1ccc2c(-c3cc4[C@@H]5N[C@@H]5c5c(-c4cc3[C@@H]3[C@H]2N3)cccc5)c1 +N#Cc1nn(c(c1S(=O)(=O)C(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F +NNc1nnc(c2c1c1ccccc1[nH]2)n1nc(cc1C)C.Cl +O=S1(=O)CCCC1 +O=Nc1ccc(cc1C(C)(C)C)c1ccccc1 +Oc1ccc2c(c1)ccc(c2)SSc1ccc2c(c1)ccc(c2)O +CCCCC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)CCCC +O=NN1C(Cc2c(C1C)[nH]c1c2cc(cc1)[N+](=O)[O-])C(=O)OC +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 +C[C@H](CN)O +COCCOCCOC +O=C(NCc1ccccc1)CCNNC(=O)c1ccncc1 +Oc1ccc2c(c1)CCC1C2CC[C@]2([C@]31CC[C@@]2([C@@H](C3)O)O)C +CC(CNC(=O)/C=C/c1ccc(o1)[N+](=O)[O-])C +C1CN2CCN1CC2 +O=C1C=Cc2c(C1=O)cc1c3c2ccc2c3c(cc1)ccc2 +CCCCOc1ccc2c(n1)c(NCCCNCCCl)c1c(n2)cc(cc1)Cl.Cl.Cl.O +CNc1nc2c(n1C)ccc1c2cccn1 +CS(=O)CC(=O)N(c1c(C)cccc1C)Cn1cccn1 +[O-][N+](=O)c1ccc(o1)/C=C/C(=O)OCCCC +[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)cc2c1C=CCC2 +ClCCN(CCCNc1c2ccccc2nc2c1cccc2)CC.Cl.Cl +Oc1ccc(c(c1)Cl)Cl +OC1C(O)c2cc3c(cc2-c2c1cccc2)ccc1c3cccc1 +CCCCNC(=O)NS(=O)(=O)c1ccc(cc1)C +CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])OCC +OC[C@@H]([C@H]1OC(=O)C(=C1O)O)O.[Na+] +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 +OC1c2cccc3c2c2c(C1O)c1ccccc1cc2cc3 +C[Si](O[Si](C)(C)C)(O[Si](C)(C)C)C +[O-][N+](=O)c1cc([N+](=O)[O-])c2c(c1O)cc(cc2)S(=O)(=O)O +C[Si](c1ccc(cc1)[Si](CCCOCC1OC1)(C)C)(CCCOCC1OC1)C +ClCC1(C(Cl)Cl)C2CC(C1(CC2(Cl)Cl)C(Cl)Cl)(Cl)Cl +Clc1ccc(c(c1)Cl)C(Cn1cncn1)COC(C(F)F)(F)F +COP(=S)(SCn1nnc2c(c1=O)cccc2)OC +CC1=Nc2c(C1(C)C)cccc2 +Fc1cccc(n1)F +[O-][N+](=O)c1ccc2c(c1)ccc1c2cc(cc1)[N+](=O)[O-] +CN1CCN(CC1)C +Cc1c(N)ccc(c1C)N +[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)nc2c1cccc2 +OC(=O)c1ccc(cc1)[N+](=O)[O-] +OC(=O)/C=C/c1ccc(cc1)/C=C/C(=O)O +CC#CC(c1ccccc1)(c1ccccc1)OC(=O)NC1CCCCC1 +O=C1C=CC(=O)O1 +CNC=O +C=Cc1ccc(cc1)[N+](=O)[O-] +CCc1cc2C(=O)CCc2c2c1c1ccccc1cc2 +OCc1ccc(cc1)OC +COCC=O +N#Cc1ccc2c(c1)n(C)c(n2)N +OC(=O)O.[Na+] +ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl +CCCCOCCOCCO +ClC(Br)(Cl)Cl +CCOC(=O)[C@H]1[C@@H](C1(C)C)C=C(C)C +N#C/C=C/C#N +Nc1ccc(cc1)S(=O)(=O)Nc1nc(C)cc(n1)C +ONc1cc(cc(c1C)[N+](=O)[O-])[N+](=O)[O-] +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 +Nc1ccc(cc1)S(=O)(=O)O +[O-][N+](=O)c1cc2CCc3c4-c2c(c1)CCc4ccc3 +CC(c1ccc(nc1)C(F)(F)F)O +c1cc2ccc3c4c2c(c1)ccc4c1c2c3cccc2C=C1 +C1CC2CCc3c(C42C(C1)O4)cccc3 +COc1nn(c(=O)n1C)C(=O)NS(=O)(=O)c1c(C)scc1C(=O)O +CCCCCCOC(=O)c1ccccc1C(=O)OCCCCCC +CC(=O)OCN([N+](=O)[O-])C +CC1OC(C)OC(OC(O1)C)C +c1ccc(cc1)CN1C2C1c1ccccc1-c1c2cccc1 +O=C(c1ccccc1)/C=C/c1cccc(c1)[N+](=O)[O-] +[O-][N+](=O)C([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-] +[O-][N+](=O)N(C(=N)NN=O)CCC +CCCCCCCCC/C=C/C[C@H]1CC(=O)OC1=O +c1ccc2-c3c(Cc2c1)ccc1c3c2ccccc2cc1 +OC(COc1nsnc1N1CCOCC1)CNC(C)(C)C +CC(=O)N(c1ccc(cc1)c1ccccc1)O +Nc1ccc(c(c1)O)[N+](=O)[O-] +CCCCCCCC/C=C\CCCCCCCCN +O=NN1CC[C@@H]([C@H](C1)Br)Br +Clc1ccc(cc1)Br +[O-][N+](=O)c1nc2c([nH]1)cccc2 +C/C=C/C=C/C=O +OC(=O)Cc1ccc(cc1)Cl +COc1ccc(cc1N)[N+](=O)[O-] +ClCCc1cn(C2CC(C(O2)CO)O)c(=O)nc1N +Cc1c2[C@H]3N[C@H]3c3c(-c2cc2c1cccc2)cccc3 +CCOC(=O)C=C +BrC(C(C)(C)C)C(=O)Nc1ccccc1 +CC(=O)[C@@H]1C(=O)C=C2[C@](C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O +CCN(c1ccc(cc1)c1ccc(cc1)c1ccc(cc1)c1ccc(cc1)N(CC)CC)CC +CCN(c1ccc(cc1)N=Nc1ccc(cc1)[N+](=O)[O-])CC +NNc1ccccc1.Cl +O=C1C=C(C)C(=O)C(=C1)C +O[C@@H]1[C@@H](O)[C@@H](O[C@@H]1n1ccc(nc1=O)N)COP(=O)(O)O +Nc1ccc(cc1)S(=O)(=O)Nc1cnc2c(n1)cccc2Cl +Cc1ccc2-c3c4c(-c2c1)cc1ccccc1c4cc1c3cccc1 +CCCCCCCCCCCCCCCC(=O)O +COC(=O)c1oc(c(c1c1ccccc1)c1ccccc1)[N+](=O)[O-] +OC(=O)c1cn2C(C)COc3c2c(c1=O)cc(c3C1(N)CC1)F +ClCc1c2ccc3c(c2c(c2c1cccc2)C)cccc3 +ON1c2ccccc2/C(=N\c2ccccc2)/C1(c1ccccc1)c1ccccc1 +O[C@@H]1[C@H](O)[C@@H](O)CO[C@H]1N(c1ccc(cc1)[N+](=O)[O-])N=O +N#Cc1cc(c2ccncc2)c([nH]c1=O)C +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 +CCCC(=O)O +CN(c1ccc(cc1)/C=C/C(=O)c1ccccc1)C +NC(=O)Nc1cc(ccc1O)[C@@H](CNC(C)(C)C)O.Cl +Cc1c2ccc3c(c2c(c2c1cccc2)C)cccc3 +O=C(c1ccccc1)N(OC(=O)C)OCc1ccc(cc1)C(C)(C)C +CC(C(=O)NCc1ccc(cc1)Cl)Br +N#C/C(=C(/C#N)\N)/N +C[C@@H](ON=O)CC +Brc1ccc2c(c1)c(N)c1c(n2)cccc1 +Cn1nc(c(c1)C(=O)O)C(F)F +CCCC[C@H](COC(=O)c1ccccc1C(=O)OC[C@@H](CCCC)CC)CC +CCCCON=O +Nc1cccc2c1c1ccccc1cc2 +O=c1oc2ccc(cc2c2c1cccc2)[N+](=O)[O-] +CC(CC(=O)Nc1snc2c1cccc2)C +Cc1ccc2c(c1)c1ccc3c(c1cc2)ccc1c3cccc1C +Oc1ccc2c(c1)c1c(cc2)ccc2c1n(C)cc2 +Oc1ccc2c(c1)c(cc(c2)S(=O)(=O)O)S(=O)(=O)O.[Na+].[Na+] +O=C(c1ccccc1O)Oc1ccccc1 +N1CC1 +CO/N=C(\c1ccccc1COc1cc(O)ccc1C)/C(=O)O +NCCCCC(C(=O)NC(C(=O)NC(C(=O)O)CCCCN)Cc1c[nH]c2c1cccc2)N +CCCCOCCOCCSC#N +CCN(c1cc(NC(=O)C)c(cc1OC)N=Nc1ccc(cc1)[N+](=O)[O-])CC +CCOC(=O)OC(=O)OCC +C[C@H]1CC[C@@H]([C@H](C1)O)C(C)C +Brc1c(Oc2c(Br)c(Br)c(c(c2Br)Br)Br)c(Br)c(c(c1Br)Br)Br +O=Nc1c(C)n(n(c1=O)c1ccccc1)C +COc1nsc2c1cc(cc2)[N+](=O)[O-] +c1cc2cccc3c2c(c1)CC3 +CCCCCCOC(=O)C(=C)C +NC(=S)c1c(Cl)cccc1Cl +[O-][N+](=O)c1ccc2c3c1c1CCCCc1c1c3c(cc2)ccc1[N+](=O)[O-] +Brc1ccccc1 +c1ccc2c(c1)cc(cc2)OCC1CO1 +c1ccc2c(c1)nccn2 +C[n+]1c2ccccc2cc2c1cccc2N.Cl +Nc1ccc2c(c1)nc1c(n2)cc(cc1)N +O[C@H]([C@H](C(=O)O)O)C(=O)O.CCCn1cc2c3c1cccc3[C@@H]1[C@@H](C2)N(C)CC(=C1)C +CN(C(=O)C#N)C +C[C@H](C(=O)O)Oc1cc(Cl)c(cc1Cl)Cl +N#CCC#N +CCCOC(=O)NCCC[NH+](C)C.[Cl-] +Oc1ccc(cc1)c1ccc(cc1C)N +Nc1ccc2c(c1)cc1c(n2)cccc1 +Brc1cc(Br)cc(c1OCCOc1c(Br)cc(cc1Br)Br)Br +CCCC[C@H](CN)CC +CC(=O)Nc1ccc(cc1)S(=O)(=O)c1ccc(cc1)N +BrC1C(Cl)C(Br)C(C(C1Br)Br)Br +O[C@@H]1C=Cc2c([C@H]1O)ccc1c2cc(N)c2c1cccc2 +Cc1ccccc1c1c(N)[nH]n(c1=O)C(C)C +OS(=O)(=O)Oc1ccc2c3c1ccc1c3c(cc2)c2c(c1)cccc2 +CC[C@@H](NCCN[C@@H](CO)CC)CO +N[C@H](C(=O)O)CS/C(=C/Cl)/Cl +CCOC(=O)[C@@H](C(=O)C)Cl +O[C@H]1C(OC[C@H]([C@@H]1O)O)Nc1ccc(cc1)C +[O-][N+](=O)c1cccc2c1nccc2 +Cc1cnc2c(n1)c1nc(n(c1c(c2C)C)C)N +BrCC(=O)c1cccc(c1)OC +NC(=N)c1ccc2c(c1)[nH]c(c2N)C(=N)N +[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)c2c([n+]1[O-])cccc2 +CC(=O)Oc1ccc2c(c1)OC1(C2(C)OO1)C +O=C1c2ccccc2C(=O)c2c1ccc(c2[N+](=O)[O-])C +CCN(CCn1nc2-c3ccc(cc3Sc3c2c1ccc3CO)Cl)CC +ClC(Cl)(Cl)Cl +NCCN(c1c2ccccc2nc2c1ccc1c2cccc1)CCCl +OCCNc1ccc(cc1[N+](=O)[O-])N +O=CC1=C2CC(CC2(O)C(C2(C1(C=O)C2)C)O)(C)C +COC(=O)[C@@]12O[C@@]2(C)[C@@H](OC1=O)C(C)C +CC[C@]1(OCCc2c1[nH]c1c2cc(cc1CC)O)CC(=O)O +OC(=O)C1NC(C)c2c(C1)c1ccccc1[nH]2 +CCc1ccccc1[N+](=O)[O-] +Nc1ccc2c(c1)cccc2 +CC(c1cccc(c1O)C(C)(C)C)(C)C +C/C=C/c1ccc(c(c1)OC)O +CNC(=O)Nc1ccccc1 +[O-][N+](=O)c1ccc2-c3c([C@H](c2c1)O)cccc3 +OC(=O)/C=C\C(=O)O.[Na+].[Na+] +CC(=O)OCc1ccc(cc1)N=Nc1ccc(cc1)N(C)C +Oc1cc(O)c2c(c1)oc(c(c2=O)O)c1ccc(c(c1)O)O.O.O 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+[O-][N+](=O)c1ccc(o1)/C=N/n1cccn1 +Cc1ccc(c(c1)C(=O)O)[N+](=O)[O-] +CC(=CCc1ccc(c2c1oc1cc3OC4C(c3c(c1c2=O)O)(O)C=CO4)O)C +CCN(c1ccc2-c3c(Cc2c1)cccc3)C(=O)C +CC(=O)Nc1ccc(cc1)N=Nc1cc(C)ccc1O +CN(c1ccc(cc1)N=Nc1ccc2c(c1)cccc2)C +CC(N1C(=O)SCN(C1=O)c1ccccc1)C +Cc1ccc(c2c1n(C)c1c2cccc1)C +OC1c2cc3ccccc3c3c2c2c1cccc2cc3 +OCc1ccc2c3c1Sc1cc(Cl)ccc1-c3nn2CC[N+](CC)(CC)[O-] +CCOCC +OC1C=Cc2c(C1O)cc1c(c2)ccc(c1)[N+](=O)[O-] +N#N=Nc1ccc2c(c1)nc1c(c2Nc2ccc(cc2OC)NS(=O)(=O)C)cccc1 +O=N#Cc1cc(C)cc(c1)C#N=O +Clc1ccc(cc1)CC[C@@H]1OC1 +c1ccc2c(c1)ccc1c2cc2c(n1)ccc1c2cccc1 +Oc1nsc2c1cccc2 +FC(c1cccc(c1)CN1C2C1c1ccccc1-c1c2cccc1)(F)F +Cc1ccc2c(c1C)cccc2 +[O-][N+](=O)c1nccn1C +CN(c1nc(nc(n1)N(C)C)N(C)C)C +Oc1cc2cccc3c2c2c1ccc(c2cc3)[N+](=O)[O-] +O=C(c1ccccc1)N(OC(=O)C)OCc1ccc(cc1)[N+](=O)[O-] +NCCCN(CC)CC +O1C2C1c1cccc3c1-c1c2cccc1C1C3O1 +COc1cc(OC)c2c(c1)c(OC)c1c(n2)occ1 +C[C@H](C(=O)O)Oc1ccc(cc1)Oc1ccc(cc1F)C(=O)O +OC1=C(O)c2nc3c(cc2C24C1(CCCC4)O2)ccc1c3cccc1 +Nc1c2ccccc2nc2c1cccc2.Cl.O +Cn1cnc2c1c(=O)[nH]c(=O)n2C +O[C@@H]1C=Cc2c([C@H]1O)ccc1c2cc([N+](=O)[O-])c2c1cccc2 +COc1cc(O)c2c(c1)oc1c(c2=O)c(O)ccc1O +CCC/C=N\O +CC(CCCCCCCOP(=O)(Oc1ccccc1)Oc1ccccc1)C +[O-][N+](=O)c1ccc2c(c1)c1ccccc1[nH]2 +Fc1cccc2c1ccc1c2cccn1 +O=C1N(OCC1(C)C)Cc1ccccc1Cl +OCc1ccc2-c1cc(ccc2C)C(=C)C +OC[C@H]1O[C@@H](O[C@H]2CC[C@]3(C(=CC[C@@H]4[C@@H]3CC[C@]3([C@H]4C[C@H]4[C@H]3[C@H](C)[C@]3(O4)CC[C@H](CO3)C)C)C2)C)[C@@H]([C@H]([C@@H]1O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@@H]1O)O)O)O)O +O/N=C/C1N(CCC[n+]2ccc(cc2)C(=O)N)C=CN1C +CN(c1ccc(cc1)N=Nc1ccccc1C(=O)O)C +O=C(c1ccccc1)OOC(C)(C)C +Nc1ccc2-c3c(Cc2c1)cccc3 +[O-][N+](=O)c1ccc2c(c1)c1c(cc2)cccc1[N+](=O)[O-] +[O-][N+](=O)c1ccccc1c1ccccc1 +CCCCCCCCCCCCCCCCCCO +CCn1cc(C(=O)O)c(=O)c2c1cc(N1CCN(CC1)C)c(c2)F +CC(c1ccc(cc1)OC[C@@H]1OC1)(C)C +Oc1ccc(cc1)C1(CCCCC1)c1ccc(cc1)O +ONc1ccc(cc1)C +O=C(C1(C)OC1)NCc1ccccc1 +OCC1OC(C(C1O)O)n1cnc2c1ncnc2N +OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)N(c1ccc(cc1)[N+](=O)[O-])N=O +COc1ccc(cc1OC)Cc1nccc2c1cc(OC)c(c2)OC +OC(=O)CCCCCCCCC(=O)O +c1cc2C3OC3c3c2c(c1)c1cc2ccccc2cc1c3 +n1ccc(cc1)c1ccccn1 +OCCOc1cc(O)c2c(c1)oc(c(c2=O)OC1OC(COC2OC(C)C(C(C2O)O)O)C(C(C1O)O)O)c1ccc(c(c1)OCCO)OCCO +CCOP(=S)(SCCl)OCC +OC(=O)C(CCl)Cl +NC(=O)CNC(=O)/C=N#N +ONc1cc(C)cc(c1)C +CO/N=C(/c1nsc(n1)N)\C(=O)NC1C(=O)N2C1SCC(=C2C(=O)O)C[n+]1ccn2c1cccn2 +NC(=O)N(c1ccccc1)c1ccc(cc1)C(=O)O +Nc1ccc(cc1)Oc1ccc(cc1)N +CCC(=C)C(=O)c1ccc(c(c1Cl)Cl)OCC(=O)O +CNc1ccc2c(c1C)ncc(n2)C +Cc1ccccc1C.Cc1cccc(c1)C.Cc1ccc(cc1)C +CNNCc1ccc(cc1)C(=O)NC(C)C.Cl +[O-][N+](=O)c1ccc(cc1)N=Nc1ccccc1 +CCS(=O)(=O)c1nc2n(c1S(=O)(=O)NC(=O)NC(=N)N)cccc2 +Nc1ccc2c(c1)nc1c(c2)ccc(c1)N.Cl +ONc1ncnc2c1ncn2Cc1ccccc1 +CCCCCCCOc1ccccc1NC(=O)OCCN1CCCCC1 +COc1cc(N=Nc2ccccc2)ccc1[N+](=O)[O-] +CCC/N=N/O.[K+] +Sc1ccccc1 +ClCC(=O)Nc1c(CC)cccc1CC +OC1C=CC2C(C1O)O2 +CNC(=O)Oc1cccc2c1OC(C2O)(C)C +ClC(=C(Cl)Cl)CS(=O)(=O)O +Nc1ccc(cc1Cl)Cc1ccc(c(c1)Cl)N +Nc1ccc2c(c1)[n+](C)c1c(c2)ccc(c1)N +CC(=O)CCC(=O)C +ClCCC(=O)/N=c/1\sn(c2c1cccc2)C(=O)CCCl +ClCCN(c1ccc(cc1)OCCCCCNc1c2ccccc2nc2c1cccc2)CC +CCNC(=O)CC[C@@H](C(=O)O)N +Clc1cc(cnc1Nc1c(cc(c(c1N)Cl)C(F)(F)F)[N+](=O)[O-])C(F)(F)F +O=C/C(=C(\C(=O)O)/Cl)/C(Cl)Cl +CN(CCCNc1c2ccccc2nc2c1c(ccc2C)[N+](=O)[O-])C +Oc1[nH]nc2c1cccc2 +c1ccc2c(c1)ccc1c2cc2cccc3c2c1C=C3 |