diff options
| author | gebele <gebele@in-silico.ch> | 2017-05-04 10:01:48 +0000 |
|---|---|---|
| committer | gebele <gebele@in-silico.ch> | 2017-05-04 10:01:48 +0000 |
| commit | 534f148aeb26e80ec6faa9410df7e0f193c2ab2c (patch) | |
| tree | 206b63bd03e63565b9d82f78cd4560c76ebdc57e | |
| parent | 3f4d54a0303e433b3634277a3a6c76ec74b4d304 (diff) | |
added new mutagenicity dataset
| -rw-r--r-- | classification/mutagenicity.csv | 6513 | ||||
| -rw-r--r-- | classification/mutagenicity.json | 5 |
2 files changed, 6518 insertions, 0 deletions
diff --git a/classification/mutagenicity.csv b/classification/mutagenicity.csv new file mode 100644 index 0000000..c84e7f4 --- /dev/null +++ b/classification/mutagenicity.csv @@ -0,0 +1,6513 @@ +SMILES,Mutagenicity +O=C1c2ccccc2C(=O)c3c1ccc4c3[nH]c5c6C(=O)c7ccccc7C(=O)c6c8[nH]c9c%10C(=O)c%11ccccc%11C(=O)c%10ccc9c8c45,non-mutagenic +NNC(=O)CNC(=O)\C=N\#N,mutagenic +O=C1NC(=O)\C(=N/#N)\C=N1,mutagenic +NC(=O)CNC(=O)\C=N\#N,mutagenic +CCCCN(CC(O)C1=C\C(=N/#N)\C(=O)C=C1)N=O,mutagenic +NC(COC(=O)\C=N/#N)C(=O)O,mutagenic +CCN(CC(O)C1=CC(=O)\C(=N\#N)\C=C1)N=O,mutagenic +CC(=O)OC1(CCC2C3C=C(Cl)C4=CC(=O)OCC4(C)C3CCC12C)C(=O)C,non-mutagenic +Nc1nc(N)nc(N)n1,non-mutagenic +Cc1ccc(N=Nc2c(O)ccc3ccccc23)c(c1)[N+](=O)[O-],mutagenic +CC(C)CC(=O)Nc1snc2ccccc12,non-mutagenic +Cc1cccc(c1C)[N+](=O)[O-],mutagenic +CCCCCCC(=O)OC1(CCC2C3CCC4=CC(=O)CCC4C3CCC12C)C#C,non-mutagenic +CCC[N+](=O)[O-],non-mutagenic +OC(=O)c1cc(cc2cccnc12)[N+](=O)[O-],mutagenic +OC1C=Cc2c(ccc3c(Br)c4ccccc4cc23)C1O,mutagenic +NC(=O)Nc1nc2ccccc2[nH]1,mutagenic +C[C@@H](O)CCC(=O)c1cocc1,non-mutagenic +Nc1ccc2c(oc3ccccc23)c1,mutagenic +Cc1ccc2ccc3ccc(C)cc3c2c1,mutagenic +Cc1cc2c(nc(N)n2C)c3ncc(nc13)c4ccccc4,mutagenic +CCN(N=O)\C(=N\O)\C=O,mutagenic +NNc1nnc(NN)c2ccccc12,mutagenic +C=CC(=O)NCNC(=O)C=C,mutagenic +OCc1cc2c3ccccc3c4cccc(c1)c24,non-mutagenic +Cc1ccccc1c2ccccc2,non-mutagenic +CC1C2C3C(C)C4C(=O)C56C(=O)c7c(O)cc(C)cc7C(=O)C35C1C(=O)C68C(=O)c9c(O)cc(C)cc9C(=O)C248,non-mutagenic +Cc1nc(N)nc(N)n1,non-mutagenic +CCNc1nc(N)nc(Cl)n1,non-mutagenic +C1CCC(CC1)N2C3C2c4ccccc4c5ccccc35,mutagenic +CCCCB(CCCC)CCCC,mutagenic +CC(=O)NC(CSC(=C(Cl)Cl)Cl)C(=O)O,mutagenic +CC(C)[C@@H]1CC[C@H](C)[C@@H]2CC[C@H](C)C[C@@H]12,mutagenic +CCNN=NCC,mutagenic +Oc1cccc(c1)[N+](=O)[O-],mutagenic +[O-][N+](=O)c1ccc2c(c1)c3cccc4cccc2c34,mutagenic +OCc1occc1,non-mutagenic +C(Cc1ccc(cc1)c2ccccc2)[C@H]3CO3,mutagenic +Oc1cc2c3ccccc3ccc2c4ccccc14,mutagenic +Oc1ccc2ccccc2c1N=Nc3ccccc3,mutagenic +N[C@@H]1CC[C@@H](C[C@@H]2CC[C@@H](N)CC2)CC1,non-mutagenic +COC(=O)C12CC1(C=O)C(=CC3CC(C)(C)CC23)C=O,mutagenic +CCOC(=O)C(C)Br,mutagenic +COC1(CCCC1)OC2CCC3C4CCC5CC6SC6CC5(C)C4CCC23C,non-mutagenic +CCN(CCCl)CCCNc1c2CCCCc2nc3ccccc13,mutagenic +C\C(=C/C(=C/C1=CCOC1=O)/C)\C=C\C=C(/C)\C(=O)C23OC2C(O)(CCO)NC3=O,mutagenic +CCO[P@](=S)(CC)Sc1ccccc1,non-mutagenic +Nc1ccc(c(N)c1)[N+](=O)[O-],mutagenic +CCSCCSP(=O)(OC)OC,non-mutagenic +Cc1ccccc1C(=O)O,non-mutagenic +CC(=CC1C(C(=O)OCc2cccc(Oc3ccccc3)c2)C1(C)C)C,mutagenic +Brc1ccccc1,non-mutagenic +Cc1cc(N)c(cc1Cl)S(=O)(=O)O,non-mutagenic +Oc1ccc2cc(SSc3ccc4cc(O)ccc4c3)ccc2c1,non-mutagenic +CN(C)CCNC(=O)c1cccc2C(=O)c3ccccc3C(=O)c12,mutagenic +Nc1snc2c(Cl)cc(Cl)cc12,mutagenic +ClCC1(C(Cl)Cl)C2CC(Cl)(Cl)C1(CC2(Cl)Cl)C(Cl)Cl,non-mutagenic +Cc1cc(O)c2C(=O)c3c(O)cc(O)c(c3C(=O)c2c1)c4c(O)cc(O)c5C(=O)c6c(O)cc(C)cc6C(=O)c45,non-mutagenic +COCCl,non-mutagenic +O=NN1CCOCC1,mutagenic +Nc1ccc(Oc2cccc(Oc3ccc(N)cc3)c2)cc1,mutagenic +Nc1ccc(Nc2ccccc2)cc1,non-mutagenic +CCCCCOC(=O)C(=C)C,non-mutagenic +OC(=O)c1ccccc1,non-mutagenic +Nc1ncnc2c1ncn2Cc3ccc(cc3)[N+](=O)[O-],mutagenic +C1c2cccc3ccc4cccc1c4c23,mutagenic +Fc1ccccc1c2ccccc2,non-mutagenic +Clc1ccc(cc1Cl)c2ccc(Cl)c(Cl)c2Cl,non-mutagenic +CC(=CCc1ccc(O)c2C(=O)c3c(O)c4c(OC5OC=CC45O)cc3Oc12)C,mutagenic +CC1COCc2cc3c(cc12)C(C)(C)C(C)C3(C)C,non-mutagenic +Cc1cccc(Nc2cc(Cl)nc(SCC(=O)O)n2)c1C,non-mutagenic +Nc1ccc2ccccc2c1N=Nc3ccc(cc3)[N+](=O)[O-],mutagenic +COc1cccc2C(=O)c3c(O)c4CC(O)(CC(OC5CC(N)C(O)C(C)O5)c4c(O)c3C(=O)c12)C(=O)CO,mutagenic +Oc1ccc(Cc2ccccc2O)cc1,non-mutagenic +COC(C)CCO,non-mutagenic +CC(=O)N(O)c1ccc(Oc2ccccc2)cc1,mutagenic +CC(C)(c1ccc(OP(O)O)cc1)c2ccc(OP(O)O)cc2,non-mutagenic +CCCCCCCC(=O)Cl,mutagenic +CC(C)(C)C(Br)C(=O)Nc1ccccc1,non-mutagenic +CCN(CC)CCNc1ccc2nc(C)n3c4ccc(O)cc4C(=O)c1c23,mutagenic +CCNC(=O)Nc1ncc(s1)[N+](=O)[O-],mutagenic +COc1ccc(O)c2C(=O)c3c(OC)cc4O[C@@H]5OC=C[C@H]5c4c3Oc12,mutagenic +[O-][N+](=O)c1cc2Oc3cc(Cl)c(Cl)cc3Oc2cc1Cl,mutagenic +COC(=O)C(=C)C,non-mutagenic +Oc1ccc2c3ccc(O)c4C(=O)C=C[C@@](O)([C@@H]5[C@H]6O[C@H]6C(=O)c1c25)c34,mutagenic +COC(=O)N,non-mutagenic +Cc1cc(C)n(n1)c2[nH]nc(NN)c3c4ccccc4nc23,non-mutagenic +Fc1cnc2ccc3cccnc3c2c1,mutagenic +SC(NC(=O)NC(S)c1nc2ccccc2s1)c3nc4ccccc4s3,mutagenic +Cc1c2ccccc2c(CBr)c3ccccc13,mutagenic +Nc1cccc2cc3CCCCc3nc12,mutagenic +COC(=O)C=C,non-mutagenic +CC(=O)Nc1c(O)cc2c3ccccc3c4cccc1c24,mutagenic +OC1Cc2cc3ccc4cccc5ccc(c2C=C1)c3c45,mutagenic +Oc1ccc2c(c1)c3ccc(c4cccc2c34)[N+](=O)[O-],mutagenic +OC1C=Cc2cc3ccccc3c(c2C1O)[N+](=O)[O-],non-mutagenic +Cc1ccc(N=Nc2c(O)c(cc3ccccc23)C(=O)O)c(c1)S(=O)(=O)O,non-mutagenic +CN=C1C=CC(=C(c2ccc(cc2)N(C)C)c3ccc(cc3)N(C)C)C=C1,non-mutagenic +CCCCN(COC(=O)C)N=O,mutagenic +C1CCC2=C(C1)c3cc4ccccc4c5cc6ccccc6c2c35,mutagenic +NP(=O)(OCCC(=O)O)N(CCCl)CCCl,mutagenic +Nc1c(O)cc(Cc2cc(Cl)c(N)c(OS(=O)(=O)O)c2)cc1Cl,non-mutagenic +C1CSCCO1,non-mutagenic +Cc1ccccc1N,mutagenic +O=C1c2ccccc2c3ccccc13,non-mutagenic +C1CCCC2OC2CC1,non-mutagenic +C1Cc2c(C=C1)ccc3nc4ccc5ccccc5c4cc23,mutagenic +CS(=O)(=O)Nc1ccc(Nc2c3ccc(cc3nc4ccc(cc24)N=N#N)N=N#N)cc1,non-mutagenic +CN(C)CCN(Cc1ccccc1)c2ccccn2,non-mutagenic +C\C=C(/Cl)\C1=CC(=O)C23CC2C(C)(C)OC3(O)C1=O,mutagenic +CN(Cc1cnc2nc(N)nc(N)c2n1)c3ccc(cc3)C(=O)NC(CCC(=O)O)C(=O)O,non-mutagenic +CCNc1ccccc1,non-mutagenic +Nc1ccccc1SCCSc2ccccc2N,mutagenic +ONC(=O)c1ccccc1O,mutagenic +Nc1c(O)cccc1[N+](=O)[O-],non-mutagenic +CC(C)(C)c1ccc(\C=C\c2ccc(N)cc2)cc1,non-mutagenic +OC(=O)C[C@H]([C@H](CC(=O)O)C(=O)O)C(=O)O,mutagenic +C1Cc2cccc3cccc1c23,non-mutagenic +CN(C)CCCNc1c2ccccc2nc3c(ccc(c13)[N+](=O)[O-])N(CCO)CCO,mutagenic +CCCCOc1ccc(cc1)N=O,mutagenic +Cc1cc(c(N)cc1Cl)S(=O)(=O)O,mutagenic +COC(=O)C1=CCCN(C)C1,mutagenic +CNC(=O)ON,mutagenic +OC(=O)C=C,non-mutagenic +OC(=O)CC(=O)O,non-mutagenic +CCCCC=O,non-mutagenic +O=Nc1ccccc1c2ccccc2,mutagenic +CN(C1CCN(CC1)c2nc3ccccc3n2Cc4ccc(F)cc4)c5nccc(O)n5,non-mutagenic +CSC(C)(C)C(=O)NC(CS)C(=O)O,non-mutagenic +C[n+]1ccc(cc1)c2cc[n+](C)cc2,non-mutagenic +OC(CN=N#N)C(O)C(O)C(O)C=O,mutagenic +CCCCCNc1snc2ccccc12,non-mutagenic +CCCCCCCCCCCC(=O)OOC(=O)CCCCCCCCCCC,non-mutagenic +Cc1ccc(cc1S(=O)(=O)O)[N+](=O)[O-],non-mutagenic +OS(=O)(=O)c1cccc(c1)[N+](=O)[O-],non-mutagenic +COc1ccc(O)c(c1)C(C)(C)C,non-mutagenic +[O-][N+](=O)c1ccc2C(=O)N(CCl)C(=O)c2c1,mutagenic +CC1CC(C)(C)c2cc(C(=O)C)c(C)cc2C1(C)C,non-mutagenic +OCc1cc2ccc3cccc4ccc(c1)c2c34,mutagenic +CCCCON(OC(=O)C)C(=O)c1ccc(cc1)c2ccccc2,mutagenic +C[C@]12CC[C@H]3[C@@H](CCC4=C3CCC(=O)C4)[C@H]1CC[C@@]2(O)C#C,non-mutagenic +N#Cc1ccccc1C#N,non-mutagenic +CC(=O)Nc1cc(ccc1C)N=[N+]([O-])c2ccc(C)c(NC(=O)C)c2,non-mutagenic +CC(C)OC(=O)C1=C(C)N=C(N)C(=C(O)OC2CN(C2)C(c3ccccc3)c4ccccc4)C1c5cccc(c5)[N+](=O)[O-],non-mutagenic +C1CN=C(N1)c2ccc(cc2)c3cc4ccc(cc4[nH]3)C5=NCCN5,non-mutagenic +CC1CC2C(Cc3c[nH]c4cccc2c34)N(C)C1,mutagenic +CCCCCCOC(=O)C=C,non-mutagenic +CN(C)N=Nc1ccc(cc1)C(=O)O,non-mutagenic +ClC(Cl)(Cl)c1ccccc1,mutagenic +CCCCCCCCCCCCCCCCCCNC(=O)CCCCCCCCCCC\C=C\CCCCCCCC,non-mutagenic +CC1(C)OC1COc2c3OC(=O)C=Cc3cc4ccoc24,non-mutagenic +CCC(CC)[N+](=O)[O-],non-mutagenic +CCCC(=O)\N=C\1/SN(C(=O)CCC)c2ccc(cc12)[N+](=O)[O-],mutagenic +Cc1ccc(cc1)C#N,non-mutagenic +[O-][N+](=O)c1ccc2ccc3ccc(c4c5ccccc5c1c2c34)[N+](=O)[O-],non-mutagenic +COc1nsc2cc(OCC3CO3)ccc12,mutagenic +OC(=O)c1c(Cl)c(Cl)c(Cl)c2Oc3c(Br)c(O)c(Br)cc3C(=O)c12,non-mutagenic +CCCCN(N=O)C(=N)N[N+](=O)[O-],mutagenic +CCCON=O,mutagenic +CN(C)S(=O)(=O)N(SC(F)(Cl)Cl)c1ccccc1,non-mutagenic +OC1C2OC2C3=C(C=CC4C3c5cccc6cccc4c56)C1O,mutagenic +Clc1c(Cl)c(Cl)c2C(=O)OC(=O)c2c1Cl,non-mutagenic +C1Cc2ccc3ccc4ccccc4c3c2C1,mutagenic +NCCC#N,non-mutagenic +Clc1cccc2oc3ccccc3c12,non-mutagenic +C[C@@H]1C=Cc2c1ccc3c2ccc4ccccc34,mutagenic +CCCCC,non-mutagenic +Cc1cccc(O)c1,non-mutagenic +CCCC(=O)OCc1ccccc1[N+](=O)[O-],non-mutagenic +BrCc1ccccc1,mutagenic +NC(CCN=N#N)C(=O)O,mutagenic +COc1ccc2oc(cc2c1N(CCCl)CCCl)[N+](=O)[O-],mutagenic +CC(C)CCOC(=O)\C=C/c1ccccc1,non-mutagenic +FC(F)(F)c1ccccc1Cl,non-mutagenic +Cc1ccc(cc1)S(=O)(=O)NN,mutagenic +FC(F)C(F)(F)F,non-mutagenic +Cc1ccccc1S(=O)(=O)N,non-mutagenic +Cc1cnc(S)nc1O,non-mutagenic +[O-][N+](=O)c1ccc(Cl)c(c1)[N+](=O)[O-],mutagenic +c1cc2ccc3cncc4ccc(c1)c2c34,mutagenic +ClC(=C1C(=O)NC(=O)C1(Cl)Cl)Cl,mutagenic +c1ccc2cc3c(ccc4cccnc34)cc2c1,mutagenic +CC(C)N(C(C)C)C(=O)SCC(=C(Cl)Cl)Cl,mutagenic +Cc1ccc(N)c(C)c1,mutagenic +CN(C[C@H](O)CO)N=O,mutagenic +CC(C)(C)NCC(O)c1cc(Cl)c(N)c(c1)C(F)(F)F,non-mutagenic +ClC1=C(Cl)C(=O)C(=C(Cl)C1=O)Cl,mutagenic +CCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C,mutagenic +CC12CCCC(C)(C1CCC34CC(O)(CCC23)C5(CO5)C4)C(=O)O,non-mutagenic +O[C@H]1C=Cc2c(ccc3c4cccc5cccc(c23)c45)[C@@H]1O,mutagenic +CC1C2C(=Nc3ccccc23)N(C)c4ccc(C)cc14,mutagenic +OC(=O)\C=C\c1ccc(Cl)cc1,non-mutagenic +CCc1ccc(cc1)[N+](=O)[O-],non-mutagenic +NC(=O)CCCCC(=O)N,non-mutagenic +[O-][N+](=O)c1cccc2c1ccc3cccc(c23)[N+](=O)[O-],mutagenic +CCCCOC(=O)c1ccccc1C(=O)OCCCC,non-mutagenic +OC(=O)C1Cc2c(CN1)[nH]c3ccccc23,non-mutagenic +CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)CNC(=O)CN)C(=O)O,non-mutagenic +NC(CS\C(=C(/Cl)\C(Cl)(Cl)Cl)\Cl)C(=O)O,mutagenic +[O-][N+](=O)c1ccc(cc1)C(=O)ON(OCc2ccccc2)C(=O)c3ccccc3,mutagenic +COc1cccc(N)c1,mutagenic +CCCNC(=O)\C=C\c1oc(cc1)[N+](=O)[O-],mutagenic +O=P1(Oc2ccccc2)OCc3ccccc3O1,mutagenic +Cc1cc(ccc1N=Nc2c(O)c3c(O)cc(cc3cc2S(=O)(=O)O)S(=O)(=O)O)c4ccc(N=Nc5c(O)c6c(O)cc(cc6cc5S(=O)(=O)O)S(=O)(=O)O)c(C)c4,non-mutagenic +CN(C)c1ccc(cc1)N=O,mutagenic +CN(C)N=Nc1ccc(Br)cc1,mutagenic +CC(=C)C(=O)OC(C)(C)C,non-mutagenic +CCc1ccccc1,non-mutagenic +Nc1nc(O)c2nc(O)n(C3OC(CO)C(O)C3O)c2n1,non-mutagenic +Nc1ccc2c3ccccc3c4cccc1c24,mutagenic +CNCc1oc(CSCCN=C(NC[C@H](O)c2ccc(O)cc2)NS(=O)(=O)C)cc1,non-mutagenic +Nc1ccc(cc1C#N)[N+](=O)[O-],mutagenic +Cc1cccc(N)c1N,mutagenic +CCOC(=O)C[C@H](SP(=S)(OC)OC)C(=O)OCC,non-mutagenic +Nc1cccc2cccnc12,mutagenic +CC(=O)C(N=Nc1ccc(cc1Cl)c2ccc(N=NC(C(=O)C)C(=O)Nc3ccc(C)cc3C)c(Cl)c2)C(=O)Nc4ccc(C)cc4C,non-mutagenic +N#CCCNCCC#N,non-mutagenic +CC(C)C=O,non-mutagenic +Nc1nc2cc(Cl)c(Cl)cc2s1,non-mutagenic +COc1ccc(C=C)cc1,non-mutagenic +CCC(=O)OCC(=O)C1(OC(=O)CC)C(C)CC2C3C(Cl)CC4=CC(=O)C=CC4(C)C3C(O)CC12C,non-mutagenic +Clc1ccnc2ccccc12,mutagenic +COC1=CC(=O)c2c([nH]cc3c4cnccc4nc23)C1=O,mutagenic +ClCC1=C(Br)C(=O)OC1,mutagenic +CN1CCN(CC1)C2=Nc3ccccc3Oc4ccc(Cl)cc24,non-mutagenic +COc1cc2CCN(C)[C@H]3Cc4ccc(Oc5cc(C[C@@H]6N(C)CCc7cc(OC)c(OC)c(Oc(c1)c23)c67)ccc5OC)cc4,mutagenic +CN1CCN(CC1)c2ccc3[nH]c(nc3c2)c4ccc5[nH]c(nc5c4)c6ccc(O)cc6,non-mutagenic +OS(=O)(=O)C1=CC(=O)C(=O)c2ccccc12,mutagenic +Cc1ccc(cc1)S(=O)(=O)NC(=O)Nc2ncc(s2)[N+](=O)[O-],non-mutagenic +NC(=N)S(=O)O,non-mutagenic +Cc1c(ccc2ccccc12)[N+](=O)[O-],mutagenic +CC(=O)ON(OCc1ccc(Br)cc1)C(=O)c2ccccc2,mutagenic +CP1(C)NP(C)(C)NP(C)(C)N1,non-mutagenic +CC(C)CCOCC(=O)OCC=C,non-mutagenic +Cl[C@@H]1[C@H](Cl)[C@@H](Cl)[C@@H](Cl)[C@@H](Cl)[C@@H]1Cl,non-mutagenic +OC1C2OC2c3c(ccc4cc5ccc6ccccc6c5nc34)C1O,mutagenic +C[C@]12CC[C@@H]3[C@@H](CCc4cc(O)ccc34)[C@H]1CC[C@@H]2O,non-mutagenic +CC(C)Nc1nc(Cl)nc(NC(C)C)n1,non-mutagenic +CNC(=O)CSP(=S)(OC)OC,mutagenic +CC[N+]([O-])(CC)CCNc1ccc(CO)c2Sc3ccccc3C(=O)c12,mutagenic +COc1cc2C(=O)CCc2c3c(C)cc4ccccc4c13,mutagenic +CCOc1ccccc1C(=O)N,non-mutagenic +OS(=O)(=O)c1ccc2cc(Oc3ccc4cc(ccc4c3)S(=O)(=O)O)ccc2c1,non-mutagenic +CS(=O)c1ccc(Cl)cc1,non-mutagenic +CCCCCCCC\C=C/CCCCCCCCN,mutagenic +NCCCNCCCN,non-mutagenic +NCCNCCO,mutagenic +COC(=O)[C@]12O[C@@]1(C)[C@@](O)(NC2=O)C(C)C,mutagenic +CCOS(=O)(=O)OCC,mutagenic +COc1cc(O)c2C(=O)c3c(O)cc(C)cc3Cc2c1,mutagenic +CC[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CC[C@]2(O)C#C,non-mutagenic +Cc1ccc(OC[C@H]2CO2)cc1,mutagenic +[O-][N+](=O)c1ccc2c3ccccc3cc(c2c1)[N+](=O)[O-],mutagenic +CC1=CC(=O)c2ccccc2C1=O,mutagenic +CCCCCCCCc1ccc(Nc2ccc(CCCCCCCC)cc2)cc1,non-mutagenic +Cc1ccc(Cl)cc1[N+](=O)[O-],non-mutagenic +O=C([C@@H]1CO1)c2ccc3OCOc3c2,mutagenic +CCCC(=O)OC1CCCCC1,non-mutagenic +CC1Cc2c(O)c(C)c3C4C(CCC(=C)c3c2C1=O)C4(C)C,non-mutagenic +CCC1(O)CC(OC2CC(C(OC3CC(O)C(O)C(C)O3)C(C)O2)N(C)C)c4c(O)c5C(=O)c6c(O)ccc(O)c6C(=O)c5cc4C1C(=O)OC,mutagenic +CCCCCCCCC=O,non-mutagenic +CS(=N)(=O)CCC(N)C(=O)O,non-mutagenic +COc1ccccc1NCSC,mutagenic +Clc1cccc(C=O)c1,non-mutagenic +CCC1=C(C(C)c2cc(O)ccc12)c3ccc(O)cc3,non-mutagenic +CCCCCCCCN1SC=CC1=O,non-mutagenic +CC(C)CCCC(C)CCCC(C)CCCC1(C)CCc2c(C)c(OC(=O)C)c(C)c(C)c2O1,non-mutagenic +COc1ccc(CCC(=O)c2c(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)cc2O)cc1O,non-mutagenic +c1ccc2cnncc2c1,non-mutagenic +OS(=O)(=O)OCc1c2ccccc2c3ccc4cccc5ccc1c3c45,mutagenic +O=CC(=O)c1ccccc1,mutagenic +Oc1ccc(cc1[N+](=O)[O-])c2ccc(O)c(c2)[N+](=O)[O-],non-mutagenic +[O-][N+](=O)c1cccc(COC(=O)c2ccccc2)c1,non-mutagenic +COC(=O)\C(=C\c1ccccc1Br)\C#N,non-mutagenic +[O-][N+](=O)c1ccc2c(oc3ccc(cc23)[N+](=O)[O-])c1,mutagenic +Cc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])N=[N+]([O-])c2cc(cc(c2C)[N+](=O)[O-])[N+](=O)[O-],mutagenic +C1CSCN1,mutagenic +OCCc1cn(N=O)c2ccccc12,mutagenic +CN(Cc1cccc(C)c1)N=O,mutagenic +CC(C)(CO)CO,non-mutagenic +ClN1C(=O)NC(=O)N(Cl)C1=O,non-mutagenic +COC(=O)\C(=C\c1occc1)\C#N,non-mutagenic +COc1cc(c(O)c(c1)C(C)(C)C)c2cc(OC)cc(c2O)C(C)(C)C,non-mutagenic +Nc1ccc(cc1)C(=O)O,non-mutagenic +COC(=O)Nc1cccc(OC(=O)Nc2cccc(C)c2)c1,mutagenic +OC(=O)\C=C\c1ccccc1,non-mutagenic +[O-][N+](=O)c1cccc(c1)C#N,mutagenic +COc1cc2CCN(C)c3cc4cc5OCOc5cc4c(c1OC)c23,non-mutagenic +CC(C)C(C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1)c3ccc(Cl)cc3,non-mutagenic +CCN(CC)c1ccc(cc1)[N+](=O)[O-],mutagenic +CCCCON(OC(=O)C)C(=O)c1ccc(cc1)C(C)(C)C,mutagenic +C\C=C(/C)\CCl,mutagenic +COc1cc(CC2CO2)ccc1O,mutagenic +Cc1c2ccccc2cc3c4C5OC5C(O)C(O)c4ccc13,mutagenic +COCCO,non-mutagenic +Fc1cc2ccccc2c3ncccc13,mutagenic +Cc1ccc2cc3c(ccc4ccccc34)c5CCc1c25,mutagenic +CC1(CO1)c2ccc(cc2)C#N,mutagenic +Cc1ccc(NCCO)cc1O,non-mutagenic +C1OCc2ccccc12,mutagenic +Fc1ccc(cc1)\C(=C\C=C\c2ccccc2)\C#N,mutagenic +COC1=NC(=O)N(CC(O)CN=N#N)C=C1,mutagenic +[O-][N+](=O)c1ccc(Oc2ccc(cc2)N=C=S)cc1,mutagenic +CC(C)C(C)C,non-mutagenic +c1ccc2nc3c4ccccc4c5ccccc5c3cc2c1,mutagenic +OC[C@H]1O[C@H](C[C@@H]1O)N2C=C(C(=O)NC2=O)C(F)(F)F,mutagenic +CNc1ccccc1,non-mutagenic +OC(=O)C(=O)C(=O)O,non-mutagenic +C1c2cccc3ccc4c5ccccc5cc1c4c23,mutagenic +CC(=O)Oc1ccc2c(OC3(C)OOC23C)c1,mutagenic +CCOc1ccc(NC(=O)C)cc1[N+](=O)[O-],mutagenic +C\C=C\1/C[C@H]2C[C@@H]1C=C2,non-mutagenic +[O-][N+](=O)c1ccc2ccc3c4CCC=Cc4cc5ccc1c2c35,mutagenic +Nc1ncnc2c1nc(c3ccc(cc3)[N+](=O)[O-])n2c4ccc(cc4)[N+](=O)[O-],mutagenic +ON=C1CCCCC1,mutagenic +COC1=CC(=O)c2c([nH]cc3c4ccccc4nc23)C1=O,mutagenic +NC(=N)NNc1ccc(cc1)N=NC(=S)N,mutagenic +CCc1c2ccccc2cc3c1ccc4ccccc34,mutagenic +Cc1cnc2c(ccc3c2nc(N)n3C)n1,mutagenic +BrC(=C)C=O,mutagenic +[O-][N+](=O)c1ccnc2ccccc12,mutagenic +Cn1c(N)nc2nc3ncccc3cc12,non-mutagenic +CN1CCC23C4Oc5c(O)ccc(CC1C2C=CC4O)c35,non-mutagenic +Oc1ccc2ccc3[nH]c4ccc5ccccc5c4c3c2c1,mutagenic +CCCCCCCCCCO,non-mutagenic +[O-][N+](=O)c1ccc(c2ccccc2[N+](=O)[O-])c(c1)[N+](=O)[O-],mutagenic +Cc1cccc(c1)C(=O)Cl,mutagenic +OCC1OC(CC1O)N2C=C(CCCl)C(=O)NC2=O,mutagenic +Nc1cccc2cnsc12,mutagenic +COc1c2ccoc2[n+]([O-])c3ccccc13,non-mutagenic +COc1cc2O[C@@H]3OC=C[C@H]3c2c4Oc5cccc(O)c5C(=O)c14,mutagenic +CCCCCCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCCCCCC,non-mutagenic +CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CC(O)C(OC6OC(CO)C(O)C(O)C6O)C(C)(C5CCC34C)C(=O)O)C2C1)C(=O)O,non-mutagenic +OC(=O)CCC(=O)Nc1ccc(Cl)cc1,non-mutagenic +OC(Cn1ccnc1)c2ccc(CCc3ccccc3)cc2,non-mutagenic +CCCCOP(=O)(OCCCC)OCCCC,non-mutagenic +COC(=O)\C(=C\c1oc(Br)cc1)\C#N,non-mutagenic +CC(C)(CO)C(O)C(=O)NCCC(=O)O,non-mutagenic +ClCc1ccc2ccc3cccc4ccc1c2c34,mutagenic +O[C@@H]1C=Cc2c(cc3ccc4c(ccc5ccc2c3c45)[N+](=O)[O-])[C@H]1O,mutagenic +c1ccc2nccnc2c1,mutagenic +N#CC1=Cc2cccc3cccc1c23,mutagenic +CN1CCc2cc3OCOc3c4c5ccccc5CC1c24,mutagenic +CC1(C)C2CCC(=C)C1C2,non-mutagenic +NC(=N)NS(=O)(=O)c1ccc(N)cc1,non-mutagenic +CN(C)c1ccc(cc1)N=Nc2ccc(cc2)N(C)C,non-mutagenic +CC(C)CCCC(C)C1CCC2C3CC4OC45CC(O)CCC5(C)C3CCC12C,mutagenic +Nc1cc(c(c2ccccc2)c(c1)[N+](=O)[O-])[N+](=O)[O-],mutagenic +OCCBr,mutagenic +CC(C)CCCC(C)C1CCC2C3C(OO)C=C4CC(O)CCC4(C)C3CCC12C,mutagenic +C[C@@H](O)CN(C)c1ccc(NN)nn1,mutagenic +Oc1ccc(cc1)c2ccccc2,mutagenic +CC(=O)\C=C/C1=C(C)CCCC1(C)C,non-mutagenic +COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@@H]([C@@H](O)[C@H](C)O5)N(C)C)c4c(O)c3C(=O)c12)C(=O)C,mutagenic +COc1cc(ccc1N)[N+](=O)[O-],mutagenic +C\C=C/1\C[C@H](C)[C@](O)(CO)C(=O)OCC2=CC[N@@+]3([O-])CC[C@@H](OC1=O)[C@@H]23,non-mutagenic +COC1(NC(=O)CSCC(N)C(=O)O)C2SCC(=C(N2C1=O)C(=O)O)CSc3nnnn3C,non-mutagenic +CN(C)CCCN1C=CN(C)C1\C=N\O,non-mutagenic +CC12OOC1(C)c3c(O2)ccc4ccccc34,non-mutagenic +CN(C)CCNC(=O)c1cccc2nc(oc12)c3ccccc3,non-mutagenic +OCCCCl,mutagenic +OC(=O)COc1ccc(C(=O)c2cccs2)c(Cl)c1Cl,non-mutagenic +CC(=O)OC[C@H](O)CO,mutagenic +COCC(=O)O,non-mutagenic +Oc1ccc2ccccc2c1N=O,non-mutagenic +Cc1c(N)cccc1N=Nc2cccc(N)c2C,mutagenic +Oc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],non-mutagenic +Clc1ccc(cc1)C(Cl)(Cl)Cl,mutagenic +CC(=O)c1ccc([nH]1)[N+](=O)[O-],mutagenic +Nc1ncnc2c1cnn2CC(O)CN=N#N,mutagenic +NC(=O)c1cnccn1,non-mutagenic +OC1C2OC2c3c(ccc4ccccc34)C1O,mutagenic +C=CC(=O)OCCOCCOCCOCCOC(=O)C=C,non-mutagenic +Clc1cc(cc(Cl)c1Cl)N2C(=O)CCC2=O,non-mutagenic +CSc1cc(SC)c(N)c(C)c1N,mutagenic +CCN(N)c1ccccc1,mutagenic +CCOCCOCCOCC,non-mutagenic +COP(=S)(NC(C)C)Oc1ccccc1C(=O)OC(C)C,non-mutagenic +CC(C)(C)OOC(C)(C)C,non-mutagenic +CC(=O)Nc1ccc(cc1)S(=O)(=O)c2ccc(NC(=O)C)cc2,non-mutagenic +Nc1cc2c3C=C[C@@H](O)[C@H](O)c3ccc2c4ccccc14,mutagenic +N\C(=N/OS(=O)(=O)O)\c1ccccc1,non-mutagenic +ClCc1cc2cccc3ccc4c5ccccc5cc1c4c23,mutagenic +O[C@H]1CC(=C[C@@H](O)[C@@H]1O)C(=O)O,non-mutagenic +CC1c2cc(C)ccc2c3ccc(C)cc13,non-mutagenic +CC(=O)OC1Cc2ccc3ccc4cccc5cc1c2c3c45,mutagenic +CC(=O)Nc1ccc(cc1)N=Nc2cc(C)ccc2O,mutagenic +CNC(=O)NOC(=O)NC,mutagenic +O=S1(=O)CCCO1,mutagenic +Cn1c(N)nc2c3cnccc3ccc12,mutagenic +OC1OC(=O)C(=C1C(Cl)Br)Cl,mutagenic +Cc1ccc(CN2C3C2c4ccccc4c5ccccc35)cc1,mutagenic +Nc1ccc(Sc2ccccc2)cc1,mutagenic +CC(=O)N(O)c1ccc2ccccc2c1,mutagenic +CNC(=O)\C=C\c1oc(cc1)[N+](=O)[O-],mutagenic +[O-][N+](=O)c1ccc2ccc3c4ccccc4c(c5ccc1c2c35)[N+](=O)[O-],mutagenic +[O-][N+](=O)c1ccc2c(oc3ccccc23)c1,mutagenic +CCCCCC(=O)N,non-mutagenic +CNc1ccc2nccnc2c1C,mutagenic +O=C(\C=C\c1ccc(cc1)c2ccccc2)c3ccccc3,non-mutagenic +Cc1c(Cl)cnc2ccccc12,non-mutagenic +[O-][N+](=O)c1oc(cc1)c2csc(NC(=O)C(F)(F)F)n2,mutagenic +CS(=O)(=O)OCCCCOS(=O)(=O)C,mutagenic +CC(C)(C)NC(=O)\C=C\c1oc(cc1)[N+](=O)[O-],mutagenic +CCOC[C@H]1CO1,mutagenic +O1[C@@H]2C=Cc3c(cc4ccc5cccc6ccc3c4c56)[C@H]12,mutagenic +Clc1ccc(cc1)S(=O)(=O)c2ccc(Cl)cc2,non-mutagenic +COP(=O)(OC)OC,mutagenic +Cc1ccc2cc3c(ccc4ccccc34)c5CC(O)c1c25,non-mutagenic +Cc1ccc2nsc(NC(=O)C(Cl)Cl)c2c1,mutagenic +ClCc1cccc(CCl)c1,non-mutagenic +O=C(Nc1ccccc1)Nc2snc3ccccc23,non-mutagenic +CCC(C)(C)c1cc(c(O)c(c1)C(C)(C)CC)n2nc3ccccc3n2,non-mutagenic +C1CCC2OCCOCCOCCOCCOC3CCCCC3OCCOCCOCCOCCOC2C1,non-mutagenic +COc1ccc(OC)c(\C=C\C)c1,non-mutagenic +OC(=O)c1cc(ccc1O)N=Nc2ccc(cc2)S(=O)(=O)Nc3ccccn3,non-mutagenic +c1cc2cnncc2cn1,non-mutagenic +CC\C=C\C,non-mutagenic +Oc1ccc2ccc3cc4ccccc4c5ccc1c2c35,mutagenic +CC(=C)C(=O)OCCCCCCOC(=O)C(=C)C,non-mutagenic +CC(=O)c1ccc2ccccc2c1,non-mutagenic +ClCC(=O)c1ccccc1,non-mutagenic +[O-][N+](=O)c1cccc2c3ccc(c4cccc(c12)c34)[N+](=O)[O-],mutagenic +OC(=O)\C(=C(/C=O)\C(Cl)Cl)\Cl,mutagenic +Nc1cccc2c(O)nnc(O)c12,non-mutagenic +CCC(=O)Nc1snc2ccc(C)cc12,non-mutagenic +NC1=NC(=O)N(C=C1O)C2OC(CO)C(O)C2O,non-mutagenic +Nc1ccc(\C=C/c2ccc(N)cc2S(=O)(=O)O)c(c1)S(=O)(=O)O,non-mutagenic +COc1ccc(cc1)C(=C(c2ccc(OC)cc2)c3ccc(OC)cc3)Cl,non-mutagenic +CC(C)Oc1ccccc1OC(=O)N(C)N=O,mutagenic +Oc1ccc2c(ccc3c4ccccc4c1c23)[N+](=O)[O-],mutagenic +CC(C)[C@@H]1CC=C(C)[C@H]2CC=C(C)C[C@H]12,non-mutagenic +CN(N=O)c1ccccc1,mutagenic +CN(C)CCNC(=O)c1cccc2oc(nc12)c3ccccc3,non-mutagenic +CCCC[C@@H](CC)COC(=O)c1ccc(N(C)C)c(c1)[N+](=O)[O-],mutagenic +Fc1cccc(F)c1C(=O)NC(=O)Nc2ccc(Cl)cc2,non-mutagenic +NC(CCC(=O)NC(CSC(=O)NCCCl)C(=O)NCC(=O)O)C(=O)O,mutagenic +o1ccc2cc3ccc4cccc5ccc(c12)c3c45,mutagenic +Nc1ccc(cc1)c2ccc(cc2)c3ccc(N)cc3,mutagenic +COc1cc(ccc1O)C2=C(O)C(=O)c3c(O)cc(O)cc3O2,non-mutagenic +C[Si](C)(C)O[Si](C)(C)C,non-mutagenic +CCCCCCCCCCCCCCCCCC(=O)N,non-mutagenic +Cc1cnc2ccc3c(nc(NC4OC(C(O)C(O)C4O)C(=O)O)n3C)c2n1,non-mutagenic +CC[Si](Cl)(Cl)CC,non-mutagenic +Cc1ccc(cc1)S(=O)(=O)OCc2ccccc2,non-mutagenic +Cc1c(O)cc(cc1[N+](=O)[O-])[N+](=O)[O-],non-mutagenic +CC(=O)Nc1ccc(OC(=O)c2ccccc2OC(=O)C)cc1,non-mutagenic +COc1cc2OC3OC=CC3c2c4OC(=O)C5=C(CCOC5=O)c14,mutagenic +CC(C)CCCC(C)C1CCC2C3CC4N(N5C(=O)c6ccccc6C5=O)C47CC(Cl)CCC7(C)C3CCC12C,non-mutagenic +COc1cc2CCN(C=O)c3cc4ccccc4c(c1OC)c23,mutagenic +C1CCCCCC2OC2CCCC1,non-mutagenic +CN(C)c1ccc(CCO)cc1,mutagenic +Oc1cccc2Oc3cc4OC5OCCC5c4c(O)c3C(=O)c12,non-mutagenic +CCN(CCCl)c1ccc(OCCCCCNc2c3ccccc3nc4ccccc24)cc1,mutagenic +CC(=O)OCc1c2ccccc2cc3ccc4ccccc4c13,mutagenic +OC(=O)c1cc(O)c2cccc(O)c2n1,non-mutagenic +CN1CCCC1=O,non-mutagenic +Oc1c(cccc1[N+](=O)[O-])[N+](=O)[O-],non-mutagenic +CC(C)(O)C#N,non-mutagenic +CC(C)C[C@@H](C)N,non-mutagenic +NCCc1c[nH]cn1,non-mutagenic +CN(C)NC(=O)CCC(=O)O,non-mutagenic +Oc1ccc2c(O)cccc2c1,mutagenic +Cc1cc(ccc1N=Nc2ccc3c(cc(c(N)c3c2O)S(=O)(=O)O)S(=O)(=O)O)c4ccc(N=Nc5ccc6c(cc(c(N)c6c5O)S(=O)(=O)O)S(=O)(=O)O)c(C)c4,mutagenic +CCOC(=O)N(CCC=O)N=O,mutagenic +CCOC(C)C(=O)C(O)O,mutagenic +CC(O)COC(=O)C=C,non-mutagenic +OC1C=Cc2c(Br)c3ccc4ccccc4c3cc2C1O,non-mutagenic +Oc1ccc(Nc2ccc3ccccc3c2)cc1,non-mutagenic +COc1ccc(OC)c(c1)N=Nc2c(O)ccc3ccccc23,mutagenic +C[C@H]1CCC[C@@H](O)CCCCCc2cc(O)cc(O)c2C(=O)O1,non-mutagenic +[O-][N+](=O)c1cccc2cccc(c12)[N+](=O)[O-],mutagenic +CCC#C[C@@H](C)[C@@]1(CC=C)C(=O)NC(=O)N(C)C1=O,non-mutagenic +CC(=O)ON(OCc1ccc(C)cc1)C(=O)c2ccccc2,mutagenic +Cn1c(nc2c3cccnc3ccc12)[N+](=O)[O-],mutagenic +CC(=O)Nc1ccc2c(Cc3ccccc23)c1O,non-mutagenic +CSCCC(NC(=O)COc1ccc(Cl)cc1Cl)C(=O)O,non-mutagenic +COc1ccc(cc1)C(=C(CCC(=O)O)C#N)c2ccc(OC)cc2,non-mutagenic +COc1ccc(CC2CO2)cc1OC,mutagenic +[O-][N+](=O)c1ccccc1SS\C(=C(/Cl)\C(=C(Cl)Cl)Cl)\Cl,mutagenic +CC(=O)c1ccc2N=C3N(Cc2c1)C(=O)c4ccccc34,mutagenic +O=C(C1CCCCC1)N2C[C@H]3N(CCc4ccccc34)C(=O)C2,non-mutagenic +CC1c2cc(F)ccc2c3ccc(F)cc13,mutagenic +Nc1ccc2ccc3ccccc3c2c1,mutagenic +CC(=O)ON(OCc1ccc(cc1)c2ccccc2)C(=O)c3ccccc3,mutagenic +O(c1ccccc1)[Si](Oc2ccccc2)(Oc3ccccc3)Oc4ccccc4,non-mutagenic +COc1ccc(cc1[N+](=O)[O-])C2=C(C(=O)c3ccccc3O2)[N+](=O)[O-],mutagenic +CCCOS(=O)(=O)C,mutagenic +Cc1c(N)cccc1[N+](=O)[O-],mutagenic +Nc1cnc2ccccc2c1,mutagenic +OC(=O)CCCCC1SCC2NC(=O)NC12,non-mutagenic +CC(C)(C)OOC(=O)c1ccccc1,mutagenic +CC(=O)C1(CCNCC1)c2ccccc2,non-mutagenic +NCCCCC(N)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CCCCN)C(=O)O,non-mutagenic +ClN1C(=O)N(Cl)C(=O)N(Cl)C1=O,non-mutagenic +CC1CC2C(Cc3cn(CC4CC4)c5cc(Br)cc2c35)N(C)C1,non-mutagenic +Cn1cnc2c3cccnc3ccc12,mutagenic +Clc1ccc(CN2C3C2c4ccccc4c5ccccc35)cc1,mutagenic +Nc1cc(ccc1c2ccc(cc2)[N+](=O)[O-])[N+](=O)[O-],mutagenic +C=C,non-mutagenic +Cc1ccc2nc(sc2c1S(=O)(=O)O)c3ccc(N)cc3,mutagenic +OCN1[C@H](O)[C@@H](O)N(CO)C1=O,mutagenic +Oc1ccc(cc1[N+](=O)[O-])c2cccc(c2)[N+](=O)[O-],mutagenic +Nc1cccc(N)c1C(=O)O,mutagenic +Oc1ccc2c3ccccc3c4cc5ccccc5cc4c2c1,mutagenic +Cc1ccc(Br)cc1,non-mutagenic +CC(O)CN1CC(C)OC1=O,non-mutagenic +CCNS(=O)(=O)c1ccccc1C,mutagenic +Nc1ccc2ccccc2c1N=Nc3ccccc3,non-mutagenic +Clc1ccc2ncccc2c1,mutagenic +CC(=O)O[C@H]([C@@H]1CO1)c2ccc3OCOc3c2,mutagenic +CCCCOC(=O)C=C,non-mutagenic +CCOP(=S)(OCC)Oc1nc(Cl)c(Cl)cc1Cl,non-mutagenic +CC1=CC(=O)Oc2cc(O)cc(O)c12,non-mutagenic +Cc1c(O)cc2C(=O)c3ccccc3C(=O)c2c1O,mutagenic +Nc1c2ncn(c2nc[n+]1[O-])C(c3ccccc3)(c4ccccc4)c5ccccc5,mutagenic +[O-][N+](=O)c1oc(\C=C\C=N\N2CC(=O)NC2=O)cc1,mutagenic +ONc1ccc(Sc2ccccc2)cc1,mutagenic +C1COCCOCCOCCO1,non-mutagenic +BrCc1c2ccccc2cc3ccccc13,mutagenic +[O-][N+](=O)c1ccc2ccc3ccc(c4ccc1c2c34)[N+](=O)[O-],mutagenic +CN(C)CCCNC(=O)C=C,non-mutagenic +Nc1cccc2nc3ccccc3c(N)c12,mutagenic +[O-][N+](=O)c1ccc2ccc3c(ccc4ccc1c2c34)N=O,mutagenic +Nc1ccc(cc1)[N+](=O)[O-],mutagenic +COc1ccccc1NC(=O)C(N=Nc2ccc(cc2Cl)c3ccc(N=NC(C(=O)C)C(=O)Nc4ccccc4OC)c(Cl)c3)C(=O)C,non-mutagenic +Clc1cccc(Cl)c1,non-mutagenic +CCc1c2ccccc2cc3ccc4ccccc4c13,non-mutagenic +CC(=O)NCCc1ccc(O)c(c1)c2c(O)c(O)c3C(=O)c4cc(O)c(C(=O)O)c(C(=O)O)c4C(=O)c3c2O,non-mutagenic +Nc1ccc(cc1O)c2ccc(N)c(O)c2,mutagenic +CS(=O)(=O)OC1CN(C1)C(c2ccccc2)c3ccccc3,mutagenic +NCCS,non-mutagenic +CN(C(=O)C)c1ccc(cc1)N=Nc2ccc(cc2)N(C)C(=O)C,non-mutagenic +C[n+]1c2ccccc2nc3ccccc13,mutagenic +CC(C)(N=O)[N+](=O)[O-],mutagenic +C1CCCNCC1,non-mutagenic +Cc1cccc(Br)c1,non-mutagenic +Oc1ccc(Cl)cc1Cc2ccccc2,non-mutagenic +COc1ccc(N)cc1,mutagenic +CCOP(=O)(OCC)[C@@H](C)NC(=O)N(CCCl)N=O,mutagenic +[O-][N+](=O)c1ccc2[nH]c3c(cccc3c2c1)[N+](=O)[O-],mutagenic +C[C@@H](O)C(=O)O,non-mutagenic +OC(=O)c1ccc(\C=N\n2nnc3c4ccccc4nc3c2O)cc1,mutagenic +CCCCCCCCCCCCCCCCCC1=NCCN1CCO,non-mutagenic +Nc1cccc(c1)c2ccccc2,mutagenic +ONC(=O)c1ccccc1,mutagenic +NCCN1CCNCC1,non-mutagenic +Cc1ccc(cc1)N(CCCl)CCCl,non-mutagenic +OC1C=Cc2c(C1O)c3ccccc3c4cc5ccccc5cc24,mutagenic +COC(=O)c1cc2ccc3cccnc3c2[nH]1,non-mutagenic +[O-][N+](=O)c1ccc2ccc3cccc4c5CCCCc5c1c2c34,mutagenic +Clc1cc(Cl)c(Cl)c(Cl)c1Cl,non-mutagenic +Oc1ccc(cc1)C(=O)N\N=C\c2oc(cc2)[N+](=O)[O-],mutagenic +CC(=O)Nc1ccc(C)c(c1)N=[N+]([O-])c2cc(NC(=O)C)ccc2C,non-mutagenic +C[C@H]1C(=O)O[C@H]2CCN3CC=C(COC(=O)[C@](C)(O)[C@]1(C)O)[C@H]23,non-mutagenic +CC(=O)Nc1ccc(Oc2ccc(cc2)N=O)cc1,mutagenic +C[N+]([O-])(CCCl)CCCl,mutagenic +Cc1ccc2[nH]nnc2c1,non-mutagenic +Cc1c(NO)cc(NO)cc1[N+](=O)[O-],mutagenic +CCOC(=O)c1[nH]c2ccccc2c1\N=C\c3ccc(C)cc3,non-mutagenic +N1C2C1c3cc4c(ccc5ccccc45)cc3c6ccccc26,mutagenic +COC(=O)C1OC1c2ccccc2,mutagenic +CN(C)C1CCCCC1,non-mutagenic +CC(Br)C(=O)Nc1ccccc1,mutagenic +OC(=O)C1CSC(N1C(=O)CCSSCCC(=O)N2C(CSC2c3ccccc3O)C(=O)O)c4ccccc4O,non-mutagenic +CN1C[C@@H](C=C2[C@@H]1Cc3c[nH]c4cccc2c34)C(=O)N[C@@]5(C)O[C@]6(O)[C@H]7CCCN7C(=O)[C@@H](Cc8ccccc8)N6C5=O,non-mutagenic +[O-][N+](=O)c1ccc2c(Cc3ccccc23)c1,mutagenic +CN1C(CC(O)C1=O)c2cccnc2,non-mutagenic +CC(=O)Nc1ccc(cc1)C(=O)\C=C\c2ccccc2,non-mutagenic +[O-][N+](=O)c1ccc2c3ccccc3c4cccc1c24,mutagenic +CCCCCCCCC,non-mutagenic +CCN(CC)C(=S)SSCC(NC(=O)CCC(N)C(=O)O)C(=O)NCC(=O)O,non-mutagenic +CC(=O)Oc1ccc(cc1)C(c2ccc(OC(=O)C)cc2)c3ccccn3,non-mutagenic +Cc1ccc(N=Nc2c(O)ccc3ccccc23)c(c1)S(=O)(=O)O,non-mutagenic +CNCCN(Cc1ccc(OC)cc1)c2ccccn2,non-mutagenic +CCCO\C=C\C=C\C=C\C=C\C=C\CC,mutagenic +COC[C@H](O)Cn1ccnc1[N+](=O)[O-],mutagenic +CCCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCCCC,non-mutagenic +CC\C=C\C=C\C=C\C=C\C=C\OCC(O)CO,mutagenic +CC(Cl)C(=C)C,mutagenic +COc1c(C(=O)O)c(O)nc2ccccc12,non-mutagenic +CC(N)Cc1ccccc1,non-mutagenic +O=C1CCC(=O)O1,non-mutagenic +[O-][N+](=Nc1ccccc1)c2ccccc2,mutagenic +CC[C@@]1(O)C[C@H](O[C@H]2C[C@@H]([C@H](O[C@H]3C[C@H](O)[C@H](O[C@@H]4O[C@@H](C)C(=CC4=N)O)[C@H](C)O3)[C@H](C)O2)N(C)C)c5c(O)c6C(=O)c7c(O)ccc(O)c7C(=O)c6cc5[C@H]1C(=O)OC,mutagenic +CC(C)(C)CNC(=O)\C=C\c1oc(cc1)[N+](=O)[O-],mutagenic +Cc1cccc2ccccc12,non-mutagenic +CCOC(=O)C(N)CS,mutagenic +O1C=C[C@H]2[C@@H]1Oc3ccccc23,mutagenic +Clc1ccc(cc1)C(c2ccc(Cl)cc2)C(Cl)(Cl)Cl,non-mutagenic +CS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc4ccccc24)cc1,mutagenic +NC(=S)N,non-mutagenic +Nc1ccc(Cl)cc1N,mutagenic +COc1ccc2c(cc3N(C)CCc4cc5OCOc5c2c34)c1OC,mutagenic +OCCOc1cc(O)c2C(=O)C(=C(Oc2c1)c3ccc(OCCO)c(OCCO)c3)O,non-mutagenic +O=Nc1ccc(cc1)c2ccccc2,mutagenic +C=CCN(CC=C)CC=C,non-mutagenic +ClC(Cl)C(=O)Cl,mutagenic +COc1ccc2Oc3cc(OC)cc(OC)c3C(=O)c2c1,mutagenic +CC(=O)c1ccccn1,non-mutagenic +CC(=O)ON(OCc1ccc(cc1)[N+](=O)[O-])C(=O)c2ccccc2,mutagenic +Nc1cc(N)c(cc1N=Nc2ccc(cc2)S(=O)(=O)N)N=Nc3ccc(cc3)S(=O)(=O)N,mutagenic +COC(=O)C(C)CN=N#N,mutagenic +C1O[C@@H]1c2cc3c4ccccc4ccc3c5ccccc25,mutagenic +O=NN1CCCCC1,mutagenic +CSCCC(=O)N1C(CSC1c2ccccc2O)C(=O)O,non-mutagenic +[O-][N+](=O)c1oc2ccc3cc(ccc3c2c1)N(CCCl)CCCl,mutagenic +OC1OC(CN=N#N)C(O)C(O)C1O,mutagenic +FC(F)OC(Cl)C(F)(F)F,non-mutagenic +Nc1ccc(cc1)S(=O)(=O)O,non-mutagenic +ClC1=C(Cl)C(=O)N(N=C1)S(=O)(=O)c2ccc(Cl)cc2,non-mutagenic +CCCCCCCCCc1ccc(O)cc1,non-mutagenic +COc1cc2CCN(Cc2cc1OC)N=O,mutagenic +C\C=C\C(=O)OC1CC2OC3C=C(C)C(=O)CC3(C)C1(C)C24CO4,non-mutagenic +CC(=O)c1oc(c(c2ccccc2)c1c3ccccc3)[N+](=O)[O-],mutagenic +CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(C5CCC34C)C(=O)O)C2C1)C(=O)O,non-mutagenic +COc1ccc2Oc3cc(O)cc(O)c3C(=O)c2c1,mutagenic +CCC(=O)Oc1ccc(cc1)\C(=C(/CC)\c2ccc(OC(=O)CC)cc2)\CC,non-mutagenic +NC(=O)\C=C\c1oc(cc1)[N+](=O)[O-],mutagenic +CC1CCc2c(N3CCC(O)CC3)c(F)cc4C(=O)C(=CN1c24)C(=O)O,non-mutagenic +CC(=CCC\C(=C/CC\C(=C/CC\C=C(\C)/CC\C=C(\C)/CCC=C(C)C)\C)\C)C,non-mutagenic +CN(C)C1=C(C)N(C)N(C1=O)c2ccccc2,mutagenic +CC\C(=N/O)\C,mutagenic +Nc1nc2ccccc2s1,non-mutagenic +CCCCOO,mutagenic +COc1cc(ccc1O)c2nc(c3ccccc3)c([nH]2)c4ccccc4,mutagenic +Nc1nc(N)c2nc(c(N)nc2n1)c3ccccc3,non-mutagenic +O1C2C1c3ccccc3c4ccccc24,mutagenic +C[C@@H]1[C@H](O)CCC2=CC(=O)[C@]3(O[C@H]3[C@@]12C)[C@H]4O[C@H]4CO,mutagenic +BrCCOC(=O)C(=O)OCCBr,mutagenic +Oc1cccc2Oc3c4[C@@H]5C=CO[C@H]5Oc4cc(O)c3C(=O)c12,mutagenic +C[n+]1ccc(cc1)c2ccccc2,non-mutagenic +Oc1c(Br)cc(Br)cc1Br,non-mutagenic +COC(=O)c1cc(OC)c2OCOc2c1c3c4OCOc4c(OC)cc3C(=O)OC,non-mutagenic +Cc1c(\C=N\OCc2cccc(c2)[N+](=O)[O-])c3cc(ccc3n1Cc4ccccc4)[N+](=O)[O-],mutagenic +Cc1cc2c3ccccc3cc4ccc5cccc1c5c24,mutagenic +C1CN2CCN1CC2,non-mutagenic +COc1cc(\C=C\C(=O)CC(=O)\C=C\c2ccc(O)c(OC)c2)ccc1O,non-mutagenic +Cc1nc2ccc(N)cc2nc1C,mutagenic +Cl[C@H]1C=C[C@@H]2[C@@H]1[C@@]3(Cl)C(=C(Cl)[C@]2(Cl)C3(Cl)Cl)Cl,non-mutagenic +[O-][N+](=O)c1cccc(c1)C(=O)\N=C\2/SN(C(=O)c3cccc(c3)[N+](=O)[O-])c4ccc(cc24)[N+](=O)[O-],mutagenic +Nc1ccc(N=Nc2ccccc2)c(N)c1,mutagenic +C[C@@H](O)CO,non-mutagenic +CCC(CCCC(=O)O)COC(=O)c1ccccc1C(=O)O,non-mutagenic +CC(=O)NC(CS\C(=C\Cl)\Cl)C(=O)O,mutagenic +CC(C)COC(=O)C=C,non-mutagenic +CCc1ccc(\C=C\c2ccc(cc2)[N+](=O)[O-])cc1,mutagenic +Nc1c(cccc1[N+](=O)[O-])[N+](=O)[O-],mutagenic +CC(Cl)(Cl)C(=O)O,non-mutagenic +ClC(Cl)(Cl)SN1C(=O)c2ccccc2C1=O,mutagenic +CN(C)CCOC(c1ccccc1)c2ccccc2,non-mutagenic +C1C=Cc2c1ccc3c2ccc4ccccc34,mutagenic +CC(=O)OCc1c2ccccc2cc3ccccc13,mutagenic +COCCOC(=O)C=C,non-mutagenic +CN(C)c1ccc(cc1)N=Nc2ccccc2CO,mutagenic +OCC=C,non-mutagenic +Oc1cc(Cl)c(Cl)c(Cl)c1Cl,non-mutagenic +CC(=O)Nc1ccc(cc1)S(=O)(=O)Cl,non-mutagenic +Cc1c(N)ccc(N=Nc2ccccc2)c1N,mutagenic +BrCCCCCBr,mutagenic +CCN,non-mutagenic +OCCCl,mutagenic +CCCCCCCCCCCCO,non-mutagenic +O=C1C=Cc2ccc3C(=O)C=Cc4ccc1c2c34,mutagenic +BrC1=C(Br)C(=O)OC1,mutagenic +Nc1c(Cl)cc(Cl)cc1Cl,non-mutagenic +c1ccc2c(c1)cc3ccc4cccc5c6ccccc6c2c3c45,mutagenic +CC(C)CNCC(C)C,non-mutagenic +COc1ccc2C(=O)c3c(O)c(OC)cc4ccnc(c2c1)c34,mutagenic +Nc1nc[nH]n1,non-mutagenic +CCOC(=O)CNC(=O)C(C)Br,mutagenic +NCCCS(=O)(=O)Nc1ccc(Nc2c3ccc(cc3nc4ccc(cc24)N=N#N)N=N#N)cc1,mutagenic +[O-][N+](=O)c1cc(CCl)cc(c1)[N+](=O)[O-],mutagenic +C[C@@H](O)[C@H](NC(=O)[C@H](C)[C@H](O)[C@H](C)NC(=O)[C@@H](NC(=O)c1nc(nc(N)c1C)[C@H](CC(=O)N)NC[C@H](N)C(=O)N)[C@@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](OC(=O)N)[C@H]3O)c4c[nH]cn4)C(=O)NCCc5nc(cs5)c6nc(cs6)C(=O)NCCCN[C@H](C)c7ccccc7,mutagenic +CCCCOC(=O)c1ccccc1N,non-mutagenic +CCc1c2ccccc2c(C)c3c1ccc4ccccc34,non-mutagenic +C1C2=C3C=CC=CC3=CC4=C5OC5=C(C24)c6ccccc16,mutagenic +CCCCCOC(=O)C=C,non-mutagenic +CC(C)OS(=O)(=O)C,mutagenic +Cc1c2ccccc2cc3ccc4ccccc4c13,mutagenic +O=C1c2ccc3ccccc3c2c4c1ccc5ccccc45,mutagenic +OS(=O)(=O)CNc1ccc(cc1)N=Nc2cccnc2,non-mutagenic +Cc1cc2nc3cc(C)c(N)cc3[n+](c4ccccc4)c2cc1N,mutagenic +CN(C)CCCN1c2ccccc2Sc3ccc(Cl)cc13,non-mutagenic +COC(=C1[C@@H](C(=C(COC(=O)N)N=C1C)C(=O)OC(C)C)c2cccc(Cl)c2Cl)O,non-mutagenic +Cc1c2ccccc2c(CBr)c3ccc4ccccc4c13,mutagenic +C(=C\c1cccc(\C=C\c2ccccc2)c1)/c3ccccc3,non-mutagenic +[O-][N+](=O)c1ccc2ccc3ccccc3c2c1,mutagenic +Cc1cccn2c1nc3c(C)c(N)cnc23,mutagenic +Fc1cccc(F)c1C(=O)NC(=O)Nc2cc(Cl)c(Oc3ncc(cc3Cl)C(F)(F)F)c(Cl)c2,non-mutagenic +CCCCCCCCCCCCOC[C@H]1CO1,non-mutagenic +CC1C2C(=Nc3ccccc23)N(C)c4ccccc14,mutagenic +Cc1cc2ccccc2c3ccc4ccccc4c13,mutagenic +Oc1c(Cl)cc(Cl)cc1S(=O)c2cc(Cl)cc(Cl)c2O,mutagenic +CC(C)(C)C1=CC(=O)C=C(C1=O)C2=CC(=O)C=C(C2=O)C(C)(C)C,mutagenic +OC(=O)Cc1ccccc1Cl,non-mutagenic +CCC(CCC=C)C=O,non-mutagenic +NC1=C(Cl)C(=O)N(N=C1)c2ccccc2,non-mutagenic +COc1cccc2C(=O)c3c(O)c4CC(O)(CC(OC5CC(N)C(O)C(C)O5)c4c(O)c3C(=O)c12)C(=O)C,mutagenic +N1C2C1c3ccccc3c4ccccc24,mutagenic +O1[C@@H]2[C@H]1c3c4ccccc4cc5c6ccccc6cc2c35,mutagenic +COc1ccc2nccc([C@@H](O)[C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1,non-mutagenic +CC(Br)C(=O)NCc1ccc(Cl)cc1,mutagenic +NNC(=O)CNc1ccc2ccccc2c1,non-mutagenic +[O-][N+](=O)c1cc2ccc3cc4ccccc4c5ccc(c1)c2c35,mutagenic +CC1(CO1)C(=O)Nc2ccccc2,mutagenic +Oc1ccnc(O)n1,non-mutagenic +COC(=O)C1O\C(=N/O)\C(=C1Cl)Cl,non-mutagenic +CC1(C)CC(C(=O)NC(CO)C(O)CO)C(C)(C)[N+]1=O,non-mutagenic +Nc1ncnc2c1ncn2CC(O)CN=N#N,mutagenic +OC(=O)COc1ccc(cc1)N(CCCl)CCCl,mutagenic +OC(=O)C1=C(O)C(=O)C=CO1,non-mutagenic +Cc1cccc(c1[N+](=O)[O-])[N+](=O)[O-],mutagenic +CC(=O)Oc1ccc2OC3(C)OOC3(C)c2c1,mutagenic +CCCCCN(CCCOC)C(=O)C(CCC(=O)O)NC(=O)c1ccc(Cl)c(Cl)c1,non-mutagenic +C=CC(=O)c1ccc2OCOc2c1,non-mutagenic +C[C@@]12CCc3occc3C1CC[C@@]45CC(CCC24)C(O)(CO)C5,non-mutagenic +COc1c2ccoc2nc3c(O)c4OCOc4c(CC=C(C)C)c13,non-mutagenic +O\N=C\c1ccncc1,non-mutagenic +CC1\C=C(\C=C)/C(=O)OC2CC[N+]3(C)CC=C(COC(=O)C1(C)OC(=O)C)C23O,mutagenic +CCCNCCC,non-mutagenic +N[C@H](CCC(=O)N[C@H](CSc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])C(=O)NCC(=O)O)C(=O)O,mutagenic +CCN(CC)c1ccc2nc3ccc(cc3[o+]c2c1)N(CC)CC,mutagenic +COc1ccc(N(CCCl)CCCl)c2cc(oc12)[N+](=O)[O-],mutagenic +CCCCCCCCON(OC(=O)C)C(=O)c1ccccc1,mutagenic +COc1cc2OC3OCCC3c2c4Oc5cccc(O)c5C(=O)c14,non-mutagenic +Nc1ccc(cc1)c2ccc(N)cc2,mutagenic +Cc1oc(C)cc1,non-mutagenic +CCCCCN(CCCC)N=O,mutagenic +Cc1cccn2c1nc3c(C)c(NO)cnc23,mutagenic +C[C@H]1Cc2c(Cl)cc(C(=O)N[C@H](Cc3ccccc3)C(=O)O)c(O)c2C(=O)O1,non-mutagenic +N1C2C1c3cscc3c4cscc24,mutagenic +Clc1ccc(CC[C@H]2CO2)cc1,mutagenic +Cc1ccc(\N=C\c2cccc3cccnc23)c(c1)C(=O)O,non-mutagenic +CN(C)c1ccccc1,non-mutagenic +c1cnc2cnncc2c1,non-mutagenic +OCC(=O)CO,mutagenic +OC(=O)c1ccc(cc1)C(=O)O,non-mutagenic +[O-][N+](=O)c1ccc2oc3ccccc3c2c1,mutagenic +CN(C)c1ccc2nc3cc(C)c(N)cc3nc2c1,mutagenic +COc1cccc2c1CC(c3ccc4OCOc4c23)[N+](=O)[O-],mutagenic +[O-][N+](=O)c1ccc(C=O)c(c1)[N+](=O)[O-],mutagenic +CCN(CC)c1ccc(cc1)[N+]#N,mutagenic +Cc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],mutagenic +CCNc1nc(Cl)nc(NC(C)C)n1,non-mutagenic +COc1nncc2ccncc12,non-mutagenic +N[C@@H](Cc1ccc(O)c(c1)[N+](=O)[O-])C(=O)O,non-mutagenic +CN(N=O)c1cccnc1,non-mutagenic +CC(C)Nc1ccc(Nc2ccccc2)cc1,non-mutagenic +OC1C=Cc2c(ccc3cc4c(cc23)C(O)C(O)c5ccccc45)C1O,non-mutagenic +CC1(C)CC(C(=O)N)C(C)(C)N1O,non-mutagenic +[O-][N+](=O)c1ccc2c(ccc3ccc(cc23)[N+](=O)[O-])c1,mutagenic +ClC(COCC(Cl)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl,mutagenic +[O-][N+](=O)c1ccc(\C=C\C(=O)c2ccccc2)cc1,mutagenic +c1cc2ccc3cccc4ncc(c1)c2c34,mutagenic +OCc1cc2ccccc2c3ccc4ccccc4c13,mutagenic +Cc1c(\C=N\OCc2ccccc2)c3cc(ccc3n1Cc4cccc(c4)[N+](=O)[O-])[N+](=O)[O-],mutagenic +c1ccc(cc1)c2cccc(c2)c3ccccc3,non-mutagenic +CCNCCN,non-mutagenic +Cc1c2ccccc2c(COS(=O)(=O)O)c3ccccc13,mutagenic +C1Cc2ccc3cccnc3c2C4OC14,mutagenic +CN(C)CCN(Cc1ccccc1)c2ccccc2,non-mutagenic +CCCCCCCCCCCCCCCCCCO,non-mutagenic +COc1ccc(cc1N)C2=C(N)C(=O)c3ccccc3O2,mutagenic +Oc1cc(O)c2C(=O)c3c(O)c4[C@@H]5C=CO[C@@H]5Oc4cc3C(=O)c2c1,mutagenic +CSCNc1ccccc1C(=O)C,non-mutagenic +OC[C@H]1O[C@@H](Oc2cc3C=CC(=O)Oc3cc2O)[C@H](O)[C@@H](O)[C@@H]1O,non-mutagenic +Nc1ccc2C(=O)c3ccccc3C(=O)c2c1,mutagenic +CS(=O)(=O)c1ccc(O)c(N)c1,non-mutagenic +CC(=CCC\C(=C\CC\C(=C\C(=O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)C=CC4(C)C3C(O)CC12C)\C)\C)C,non-mutagenic +COc1ccc(cc1)[C@H]2O[C@@H]2C(=O)c3ccccc3,mutagenic +[O-][N+](=O)c1ccccc1C(F)(F)F,non-mutagenic +Fc1ccc(F)c2ncccc12,mutagenic +CCN(CC)CCn1nc2c3ccc(Cl)cc3Sc4c(CO)ccc1c24,mutagenic +[O-][n+]1c2ccccc2c3ccc4cccc5ccc1c3c45,mutagenic +CN1C=CN(CCOCC#C)C1\C=N\O,non-mutagenic +CC(=O)OCc1c2cccc3ccc4cc5cccc6ccc1c(c56)c4c23,mutagenic +CC(=O)N\N=C\C1=CN(O)c2ccccc2N1O,mutagenic +Cl[C@@H]1CN(C[C@H]1Cl)N=O,mutagenic +Nc1cccc2c(N)cccc12,mutagenic +NC(CO)C(=O)NNCc1ccc(O)c(O)c1O,mutagenic +Cc1ccccc1N=O,mutagenic +Oc1cccc(\C=N\c2snc3ccccc23)c1,mutagenic +Cc1ccc(cc1)c2oc3ccccc3n2,non-mutagenic +CNc1ccc2ncccc2c1N,non-mutagenic +ONc1ccc(cc1)[N+](=O)[O-],mutagenic +CC(=O)Nc1ccc(N)cc1,mutagenic +Clc1c2ccccc2cc3ccccc13,mutagenic +CCCCOC[C@H]1CO1,mutagenic +CCN(C(=O)N(CC)c1ccccc1)c2ccccc2,non-mutagenic +Cc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C,non-mutagenic +CC1CC2(C)C(CCC3C4CCC(O)C4(C)CCC23)CC1=O,non-mutagenic +CC[C@@H](C)N,non-mutagenic +CCC(CC)c1cccc(OC(=O)N(C)N=O)c1,mutagenic +CC(=O)c1cc(Cc2ccc(N)c(c2)C(=O)C)ccc1N,mutagenic +Oc1c(Cl)cc(Cl)cc1Sc2cc(Cl)cc(Cl)c2O,non-mutagenic +CCCCN(CCC)N=O,mutagenic +Cn1ccnc1N=O,mutagenic +O1C2C=Cc3ncccc3C12,non-mutagenic +COc1ccc2c3ccccc3C(=O)c4cccc1c24,mutagenic +CCN(CC)c1ccc(cc1)N=Nc2ccc(cc2C#N)[N+](=O)[O-],mutagenic +CNC1C(O)C(O)C(CO)OC1OC2C(OC3C(O)C(O)C(N=C(N)N)C(O)C3N=C(N)N)OC(C)C2(O)C=O,mutagenic +CC1=CC(=O)Oc2cc(N)ccc12,non-mutagenic +CC(=O)N(O)c1ccc2ccc3cccc4ccc1c2c34,mutagenic +CC1SCC(NC1=O)C(=O)NC(Cc2c[nH]cn2)C(=O)N3CCCC3C(=O)N,non-mutagenic +CC(=O)Nc1ccc(cc1)c2ccc(N)cc2,mutagenic +NC(=N)N=C(N)NCCc1ccccc1,non-mutagenic +Cc1c2C3OC3c4ccccc4c2cc5ccccc15,mutagenic +OC1C=Cc2c(C1O)c3cc4ccccc4cc3c5ccccc25,mutagenic +CCCC[C@@H](CC)COC(=O)CCCCCCCCC(=O)OC[C@H](CC)CCCC,non-mutagenic +Cc1ccc(C)c2c1c3ccccc3n2C,mutagenic +C1O[C@@H]1c2ccc(cc2)c3ccccc3,mutagenic +CC1=C(C)C(=O)C(=C(C)C1=O)C,non-mutagenic +Cc1ccc(C)cc1,non-mutagenic +[O-][N+](=O)c1ccc2NC(=O)CN=C(c3ccccc3)c2c1,non-mutagenic +ClCc1c2ccccc2cc3c1ccc4ccccc34,mutagenic +COc1cc(ccc1O)C(=O)C,non-mutagenic +Cc1ccc(C)c(O)c1,non-mutagenic +Cc1c2ccccc2c(CCl)c3ccc4ccccc4c13,mutagenic +CCc1cc(cc(CC)c1N)c2ccccc2,non-mutagenic +CC1=CC2CCCCC2c3ccccc13,mutagenic +Cc1cc2c3C4OC4C(O)C(O)c3ccc2c5ccccc15,non-mutagenic +CCCO,non-mutagenic +COc1cc(O)c2C(=O)c3c(O)ccc(O)c3Oc2c1,mutagenic +Nc1cccc(c1)[N+](=O)[O-],mutagenic +Cc1ccc2ccc3c4ccccc4cc5ccc1c2c35,mutagenic +COc1cc(\C=C\C(=O)OC2CCC34CC35CCC6(C)C(CCC6(C)C5CCC4C2(C)C)C(C)CCC=C(C)C)ccc1O,non-mutagenic +CC(=O)OC1Cc2c(C)ccc3cc4c(ccc5ccccc45)c1c23,mutagenic +C[C@@H](O)[C@H](NC(=O)[C@@H](C)[C@@H](O)[C@@H](C)NC(=O)[C@H](NC(=O)c1nc(nc(N)c1C)[C@H](CC(=O)N)NC[C@@H](N)C(=O)N)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](OC(=O)N)[C@H]3O)c4c[nH]cn4)C(=O)NCCc5nc(cs5)c6nc(cs6)C(=O)NCCCCN=C(N)N,mutagenic +CCOC(=O)CNC(=O)CCCCSc1[nH]cnc2ncnc12,non-mutagenic +CCCCCCCCCCCCCC[C@H]1CO1,non-mutagenic +[O-][N+](=O)c1ccc(F)c(c1)[N+](=O)[O-],mutagenic +Cn1cnc2ccc(cc12)[N+](=O)[O-],mutagenic +Br[C@H]1CCN(C[C@@H]1Br)N=O,mutagenic +CCC(=O)Nc1snc2ccccc12,non-mutagenic +CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O,non-mutagenic +C[C@H]1O[C@@H](Oc2cc(O)c3C(=O)c4c(O)cc(C)cc4C(=O)c3c2)[C@H](O)[C@@H](O)[C@@H]1O,mutagenic +ClC(Cl)Cl,non-mutagenic +COc1ccc(CNC(=O)C(C)Br)cc1,mutagenic +CNC1CCc2cc(OC)c(OC)c(OC)c2C3=CC=C(OC)C(=O)C=C13,non-mutagenic +Clc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl,non-mutagenic +OC1CN(CCO1)N=O,mutagenic +Clc1ccc(cc1)N2C(=O)CCC2=O,non-mutagenic +Clc1ccc(cc1)C(=O)ON(OCc2ccccc2)C(=O)c3ccccc3,mutagenic +OS(=O)(=O)c1ccc2C(=O)c3c(cccc3[N+](=O)[O-])C(=O)c2c1,mutagenic +O=C(NC1CCCCC1)OC(C#C)(c2ccccc2)c3ccccc3,mutagenic +ClCc1c2ccccc2c(CCl)c3ccccc13,mutagenic +C[C@@H]1CN(C[C@H](C)N1N=O)N=O,mutagenic +[O-][N+](=O)c1cccc(c1)C(F)(F)F,non-mutagenic +OC1COC(NCCc2c[nH]c3ccccc23)C(O)C1O,mutagenic +O[C@H]1C[C@](O)(C[C@@H](OC(=O)\C=C/c2ccc(O)c(O)c2)[C@@H]1O)C(=O)O,non-mutagenic +Cc1c(cc2c(c1[N+](=O)[O-])C(C)(C)CC2(C)C)[N+](=O)[O-],non-mutagenic +COC(=O)c1oc(N(O)C(=O)C)c(c2ccccc2)c1c3ccccc3,non-mutagenic +O[C@H]1CO[C@H]([C@H](O)[C@@H]1O)N(N=O)c2ccc(cc2)[N+](=O)[O-],mutagenic +NC(CC(=O)c1cccc(O)c1N)C(=O)O,non-mutagenic +C=O,mutagenic +O[C@@H]1CCN(C1)N=O,mutagenic +Oc1ccccc1c2ccccc2,non-mutagenic +CC(=O)C1=C(O)C2C3C(Cc4cccc5[nH]cc3c45)C(C)(C)N2C1=O,mutagenic +[O-][N+](=O)C1=Cc2c3c1cccc3cc4ccc5ccccc5c24,mutagenic +c1ccc2c(c1)nc3ccc4cccc5ccc2c3c45,mutagenic +CC(=O)OCC[C@@H](C=O)c1c(O)cc2C(=O)c3cc(O)cc(O)c3C(=O)c2c1O,mutagenic +COc1ccc(NC(=O)c2csc(c2)[N+](=O)[O-])cc1,mutagenic +C\C(=C\C=O)\C=C/C=C(/C)\C=C/C1=C(C)CCCC1(C)C,mutagenic +CC(=CCC[C@@](C)(O)[C@H]1CCC=CC1=O)C,mutagenic +CCN(CC)CCn1nc2ccc(CO)c3c4ccc(Cl)cc4Sc1c23,mutagenic +CCOc1ccc2nc(N)sc2c1,mutagenic +Cc1c(C(=O)O)c(O)cc2C(=O)c3c(O)c(O)c([C@H]4O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]4O)c(O)c3C(=O)c12,mutagenic +COc1c(Cl)ccc(Cl)c1C(=O)O,non-mutagenic +CC(=O)c1cc(N)ccc1OCC(O)CNC(C)(C)C,non-mutagenic +Oc1c(I)cc2c(Oc3c(I)c(O)c(I)cc3C24OC(=O)c5ccccc45)c1I,non-mutagenic +OCc1c2ccccc2cc3ccccc13,mutagenic +CS(=O)(=O)O,non-mutagenic +CCCCCNCCCCC,non-mutagenic +OCCN1CCN(CCCN2c3ccccc3Sc4ccc(cc24)C(F)(F)F)CC1,non-mutagenic +Nc1ccc2nc3ccccc3c(N)c2c1,mutagenic +[O-]Cl(=O)(=O)=O,non-mutagenic +CC1=CCC(CC1)C(C)(C)O,non-mutagenic +CC1(C)CC(O)CC(C)(C)N1O,mutagenic +COc1ccc(CN2C3C2c4ccccc4c5ccccc35)cc1,mutagenic +C[C@@H](N)[C@@H](O)c1ccccc1,non-mutagenic +CC(CCC=C(C)C)CC=O,non-mutagenic +Cn1cc2ccc(cc2n1)[N+](=O)[O-],mutagenic +Fc1ccc(cc1)C(=O)[C@H]2O[C@@H]2c3ccccc3,mutagenic +CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC,non-mutagenic +C[C@H]1CCCC(=O)CCC\C=C/c2cc(O)cc(O)c2C(=O)O1,non-mutagenic +Oc1cc2ccc(cc2cc1S(=O)(=O)O)S(=O)(=O)O,non-mutagenic +[O-][N+](=O)c1cccc2cnsc12,mutagenic +Oc1c(Sc2cc(Cl)cc(c2O)[N+](=O)[O-])cc(Cl)cc1[N+](=O)[O-],non-mutagenic +[O-][N+](=O)c1ccc2ccc3cc4ccccc4c5ccc1c2c35,mutagenic +COC(=O)c1ccc(\C=N\n2nnc3c4ccccc4nc3c2O)cc1,mutagenic +CCCCCCC(=O)OCCN1CCN(CCCN2c3ccccc3Sc4ccc(cc24)C(F)(F)F)CC1,non-mutagenic +[O-][N+](=O)c1oc2cc3ccc4cccc5ccc(c2c1)c3c45,mutagenic +CCN(CC)N(O)N=O,mutagenic +Clc1ccc(C=O)cc1Cl,non-mutagenic +COc1ccc2c(ccc3oc(cc23)[N+](=O)[O-])c1,mutagenic +CN1CCN(CC1)N=O,mutagenic +CNc1ccc(cc1)N=Nc2ccc(NC)cc2,non-mutagenic +Nc1ccc(Nc2ccc(cc2)[N+](=O)[O-])cc1,mutagenic +Cc1cc(Cl)ccc1OCCCC(=O)O,non-mutagenic +CCOCCO,non-mutagenic +Brc1c(Br)c(Br)c2C(=O)OC(=O)c2c1Br,non-mutagenic +[O-][N+](=O)c1ccc2[nH]cnc2c1,mutagenic +[O-][N+](=O)c1ccccc1C=O,mutagenic +OC(=O)c1ccc(O)cc1,non-mutagenic +CC12CCC3C(CCC4=CC(=O)CCC34)C1CCC2(O)C#C,non-mutagenic +OC(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-],mutagenic +Nc1ccc(NC(=O)c2ccc(cc2)C(=O)O)cc1,non-mutagenic +C\C=C(/C)\C(=O)OC1CCN2CC=C(CO)C12,non-mutagenic +ClC=C(Cl)Cl,non-mutagenic +[O-][N+](=O)c1cccc2c(cccc12)C#N,mutagenic +[O-][N+](=O)c1ccc(cc1)C(=O)[C@H]2O[C@@H]2c3ccccc3,mutagenic +C[N+](C)(C)CCO,non-mutagenic +OCC1OC(C(O)C1O)n2cnc3c(NCC(O)COc4cccc5ccccc45)ncnc23,non-mutagenic +Cc1cc2nc3c(ccc4ccccc34)c(C)c2cc1C,mutagenic +CC(=CC=O)C,non-mutagenic +ClC(=CC=O)Cl,mutagenic +C(C1CO1)c2ccc(cc2)c3ccccc3,mutagenic +CCCCCCCCCCCCCCCC[C@H]1CO1,non-mutagenic +C\C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C(=O)O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)\C=C\C=C(\C)/C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O,non-mutagenic +CC(C)CCC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3C[C@@H]4N(N5C(=O)c6ccccc6C5=O)[C@@]47C[C@H](CC[C@]7(C)[C@H]3CC[C@]12C)OC(=O)C,mutagenic +Nc1ccc(O)c(c1)C(=O)O,non-mutagenic +c1ccc(cc1)N(c2ccccc2)c3ccccc3,non-mutagenic +CC(C)C(O)CCC(C)C1CCC2\C(=C\C=C\3/CC(O)CC(O)C3=C)\CCCC12C,non-mutagenic +Oc1cc(Cl)c(O)cc1Cl,non-mutagenic +CCC(CO)(CO)CO,non-mutagenic +CC(C)OC(=O)Cc1ccccc1,non-mutagenic +CO\N=C(/C(=O)NC1C2SCC(=C(N2C1=O)C(=O)O)CSC(=O)c3occc3)\c4csc(N)n4,non-mutagenic +[O-][N+](=O)C(Cl)Cl,mutagenic +CCOC(=O)c1ccccc1N,non-mutagenic +ClCCNCCCNc1c2ccccc2nc3c1ccc4cccnc34,mutagenic +COc1cc2OC(=C(O)C(=O)c2cc1OC)c3ccc(O)cc3,non-mutagenic +CC(=O)Nc1ccccc1C,mutagenic +CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C2)(C(=O)OC)c5cc6c(cc5OC)N(C)C7C(O)(C(OC(=O)C)C8(CC)C=CCN9CCC67C89)C(=O)OC)C1,non-mutagenic +COc1cc(NS(=O)(=O)C)ccc1Nc2c3ccc(cc3nc4c(C)cccc24)N=N#N,mutagenic +FC1=CN(C2CCCO2)C(=O)NC1=O,non-mutagenic +C1CN1,mutagenic +CCCCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O)C(CC(C)CCCCCCC(O)CC(O)C(C)N)OC(=O)CC(CC(=O)O)C(=O)O,non-mutagenic +Cc1cnc2ccc3c(ncn3C)c2n1,non-mutagenic +OC1C=Cc2cc3c(ccc4ccccc34)c(Cl)c2C1O,non-mutagenic +o1c2ccccc2c3ccccc13,non-mutagenic +Cc1ccc(cc1)C(=O)Cl,mutagenic +C1CCNC1,non-mutagenic +CC(=O)Nc1ccc(cc1)c2ccccc2,mutagenic +CC1(CO1)c2ccccc2,mutagenic +Cn1c(N=N#N)nc2c3ccccc3ccc12,mutagenic +NC(=N)c1ccc2c(N)c([nH]c2c1)C(=N)N,non-mutagenic +O[C@H]1N=C(c2ccccc2)c3cc(Cl)ccc3NC1=O,non-mutagenic +COc1nsc2c(N)cccc12,mutagenic +CC(=O)OCN=[N+](C)[O-],non-mutagenic +CC(=O)NCC(O)COc1cccc2ccccc12,non-mutagenic +Nc1cc2cccc3ccc4cccc1c4c23,mutagenic +CCCCCON=O,mutagenic +CCCCOC(=O)CCC,non-mutagenic +COc1ccc(O)cc1C(C)(C)C,non-mutagenic +[O-][N+](=O)c1cc2cccc(c2cc1[N+](=O)[O-])[N+](=O)[O-],mutagenic +CC(Br)(CO)CBr,non-mutagenic +C[N+](C)(C)CC1CO1,mutagenic +CC12OOC1(COC(=O)Nc3ccc(Cl)cc3)Oc4ccccc24,mutagenic +CN1CCOCC1,non-mutagenic +Cc1ccc(cc1C)N=Nc2c(O)ccc3ccccc23,non-mutagenic +O=C1Oc2c3CCCN4CCCc(cc2C=C1)c34,mutagenic +O=C1NC(=O)C=C1,mutagenic +ClCc1cc2c3ccccc3c4cccc(c1)c24,mutagenic +Clc1ccc(cc1)\C(=C\C=C\c2ccccc2)\C#N,mutagenic +Nc1ccc2cc(cc(O)c2c1N=Nc3ccc(cc3)c4ccc(cc4)N=Nc5c(N)ccc6cc(cc(O)c56)S(=O)(=O)O)S(=O)(=O)O,mutagenic +ClCC(=O)CCl,mutagenic +Cc1ccc(cc1)C(=O)c2cc(O)c(O)c(c2)[N+](=O)[O-],non-mutagenic +CC[n+]1c(c2ccccc2)c3cc(N)ccc3c4ccc(N)cc14,mutagenic +[O-][N+](=O)c1cccc2cc(c3ccccc3c12)[N+](=O)[O-],mutagenic +CC(=CCC\C(=C\C=C\C(=C\C=C\C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C=C(/C)\CCC=C(C)C)\C)\C)\C)C,non-mutagenic +OC(=O)c1ccccc1Nc2cc(Cl)ccc2C(=O)O,non-mutagenic +Oc1cc(O)cc(O)c1,non-mutagenic +Nc1ccc(cc1)S(=O)(=O)Nc2nccs2,non-mutagenic +CC(C)(O)C1Cc2cc3C=C(C(=O)Oc3cc2O1)C(C)(C)C=C,mutagenic +Clc1cncc(Cl)c1,non-mutagenic +CC(Br)C(=O)N(C)Cc1ccccc1,non-mutagenic +COP(=O)(C)OC,non-mutagenic +CC(=O)C,non-mutagenic +OC[C@H]1O[C@H]2[C@@H](OC3=NC(=N)C=CN23)[C@@H]1O,non-mutagenic +OCCS,non-mutagenic +[O-][N+](=O)c1ccc(\C=C\c2ccc(cc2)[N+](=O)[O-])cc1,mutagenic +CC(=O)N(O)c1ccccc1C,mutagenic +OS(=O)(=O)Oc1ccc2ccc3cc4ccccc4c5ccc1c2c35,mutagenic +CC(C)(C)OC(=O)[C@H](N)CN=[N+]=[N-],mutagenic +COc1cc(N)ccc1C,mutagenic +c1ccc2c(c1)c3ccccc3c4cc5cnccc5cc24,mutagenic +CCC(=O)OCc1ccccc1[N+](=O)[O-],non-mutagenic +Clc1ccccc1NS(=O)(=O)c2cccc3cccnc23,non-mutagenic +Nc1ccc2snc(Cl)c2c1,mutagenic +CC(C)(C)NCC(O)COc1nsnc1N2CCOCC2,non-mutagenic +Clc1ccc(cc1)c2nc3sccn3c2N=O,mutagenic +OCC12OOC1(CO)c3ccccc3O2,non-mutagenic +CC[C@@H](C)NC(=O)\C=C\c1oc(cc1)[N+](=O)[O-],mutagenic +O=C1c2ccccc2C(=O)c3ccccc13,mutagenic +O[C@H]1[C@H](O)[C@H](O[C@H]([C@@H]1O)C(=O)O)N(O)c2ccc(cc2)c3ccccc3,mutagenic +COc1c2ccoc2nc3ccccc13,mutagenic +CC(C)(C)NCC(O)COc1ccccc1C2=CCCC2,non-mutagenic +C\C=C\CC#N,non-mutagenic +C[C@@]12CCC[C@](C)([C@H]1CC[C@]34CC(=C)[C@](CC[C@@H]23)(C4)O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C(=O)O,non-mutagenic +CCBr,mutagenic +Cc1cc(O)c2C(=O)c3c(O)c(O)c(O)cc3C(=O)c2c1,non-mutagenic +C[C@@H](O)CBr,mutagenic +Nc1nc(nc2c1ncn2C3OC(CO)C(O)C3O)c4cccc(c4)[N+](=O)[O-],mutagenic +COc1nc2cccc(CBr)c2nc1OC,mutagenic +CCCN(CCCCO)N=O,mutagenic +Cc1ccc(cc1)[N+]#N,mutagenic +CC1=CC2OC3C(O)C(O)C(C)(C34CO4)C2(CO)C(O)C1=O,non-mutagenic +[O-][N+](=O)c1ccccc1CCl,mutagenic +COc1cccc2C(=O)c3c(O)c4CC(O)(CC(O)c4c(O)c3C(=O)c12)C(=O)CO,mutagenic +CN1CCN(CC1)c2ccc3[nH]c(Cc4ccc5[nH]c(nc5c4)c6ccc(cc6)N(CCCl)CCCl)nc3c2,non-mutagenic +CN=C=O,non-mutagenic +OC(=O)CI,mutagenic +Oc1ccc2ccc3c4ccccc4cc5ccc1c2c35,mutagenic +CCCC,non-mutagenic +CNc1ccc2nc(C)cnc2c1C,mutagenic +C1CC23OC2(C1)C=CC=C3,mutagenic +Oc1c2nc3ccccc3c2nnn1\N=C\c4ccc(cc4)[N+](=O)[O-],mutagenic +CC(CCC(=O)O)C1CCC2C3CCC4CC(O)CCC4(C)C3CC(O)C12C,mutagenic +Brc1ccc(cc1)c2ccccc2,non-mutagenic +[O-][N+](=O)c1ccc2c(Cl)nsc2c1,mutagenic +CN[C@@H](C)Cc1ccccc1,non-mutagenic +Cc1ccc(cc1)[N+](=O)[O-],non-mutagenic +CCOCCOC(=O)c1cc(Cc2ccc(N)c(c2)C(=O)OCCOCC)ccc1N,non-mutagenic +COc1cc(N)c(cc1N)[N+](=O)[O-],mutagenic +Nc1c2C(=O)c3ccccc3C(=O)c2c(Nc4cccc(c4)S(=O)(=O)CCOS(=O)(=O)O)cc1S(=O)(=O)O,mutagenic +CC(O)C#N,non-mutagenic +CC1CC2C(Cc3cn(CC=C)c4cccc2c34)N(C1)C#N,mutagenic +OC1C(O)c2cccc3ccc4cccc1c4c23,non-mutagenic +NC(=O)\C(=C/c1oc(cc1)[N+](=O)[O-])\c2occc2,mutagenic +OC(C(O)C(=O)OCCBr)C(=O)OCCBr,mutagenic +OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO,non-mutagenic +C1Cc2ccc3ncccc3c2C4OC14,mutagenic +CC(=O)C(=C)Br,mutagenic +C(SCc1ccccc1)c2ccccc2,non-mutagenic +Fc1cnc2c(c1)cc(F)c3ccccc23,non-mutagenic +CC(O)\C=C\C=O,mutagenic +Cc1c(\C=N\OCc2ccc(Cl)cc2)c3cc(ccc3n1Cc4ccccc4)[N+](=O)[O-],non-mutagenic +Oc1cccc2ccc3c4ccccc4ccc3c12,mutagenic +ClCCN(CCCl)[P@]1(=O)NCCCO1,mutagenic +CC\C=C\C=C\C=C\C=C\C=O,non-mutagenic +COc1ccccc1N,mutagenic +C[C@H]1CS(=O)(=O)CCN1\N=C\c2oc(cc2)[N+](=O)[O-],mutagenic +Nc1ccc(O)c2C(=O)c3c(N)ccc(O)c3C(=O)c12,mutagenic +CCC1(C)CO1,non-mutagenic +CCC(=C)C=O,mutagenic +Oc1ccc(\C=N\c2snc3c(Cl)cc(Cl)cc23)cc1,mutagenic +Nc1ccccc1C(=O)OC\C=C\c2ccccc2,non-mutagenic +Cc1ccc2ccccc2n1,mutagenic +ClC(Br)Br,non-mutagenic +Cc1ccc2ccc(cc2c1)[N+](=O)[O-],mutagenic +CC1(CO1)c2ccc(Br)cc2,non-mutagenic +Cc1cc(O)c2C(=O)c3c(O)cc(O)c4c5c(O)cc(O)c6C(=O)c7c(O)cc(C)c8c1c2c(c34)c(c78)c56,non-mutagenic +CC(C)NC(C)C,non-mutagenic +NC(=N)NC(=O)c1nc(Cl)c(N)nc1N,mutagenic +C\C=C(\C)/C#N,non-mutagenic +Cc1ccc(Cc2ccccc2)cc1,non-mutagenic +CN(Cc1cccc(Br)c1)N=O,mutagenic +CC(=O)ON(C(=O)C)c1ccc(Sc2ccccc2)cc1,mutagenic +CCC[C@@H](O)[C@@H](CC)CO,non-mutagenic +CNC(=O)N(c1ccccc1)c2ccccc2,non-mutagenic +C1C[C@@H]2O[C@@H]2C[C@@H]1[C@H]3CO3,mutagenic +Clc1ccccc1,non-mutagenic +COc1ccc(cc1[N+](=O)[O-])C(=O)Nc2ccccc2,mutagenic +Cc1cccc(C)c1[N+](=O)[O-],non-mutagenic +[O-][N+](=O)c1ccccc1SSC(=C(Cl)Cl)Cl,mutagenic +Cc1cc(NOS(=O)(=O)O)ccc1N,mutagenic +NC1=NC(=O)N(C=C1)C2OC(CO)C(O)C2O,non-mutagenic +CC(C)COS(=O)(=O)c1ccc(C)cc1,non-mutagenic +CN(C)CCNC(=O)c1cccc2C(=O)c3ccccc3Sc12,mutagenic +CC(C)(O)CCc1ccc(O)c2C(=O)c3c(O)c4c(OC5OC=CC45O)cc3Oc12,mutagenic +BrCc1ccccc1CBr,non-mutagenic +COC(=O)c1ccccc1O,mutagenic +BrCCCCBr,mutagenic +C(c1ccccc1)n2ccnc2,mutagenic +CCC12OC1O2,mutagenic +Cc1ncc(C[n+]2csc(CCO)c2C)c(N)n1,non-mutagenic +CC1=CN(C2CC(O)C(CO)O2)C(=O)NC1=O,non-mutagenic +Cc1c(c2ccccc2c3ccc4ccccc4c13)[N+](=O)[O-],mutagenic +CC1CCc2c(C)coc2C1,non-mutagenic +CN(C)C1Cc2cccc3cccc(C1)c23,mutagenic +COCCOCCOP1(NP(NP(N1)(OCCOCCOC)OCCOCCOC)(OCCOCCOC)OCCOCCOC)OCCOCCOC,non-mutagenic +CCc1cccc(CC)c1N=O,mutagenic +Oc1ccccc1C(=O)Oc2ccccc2,non-mutagenic +COc1ccc2C3OC3C4CCCCC4c2c1,non-mutagenic +CC[C@@H](O)\C=C\C=C\C=C\C=C\C=O,mutagenic +Nc1ccc2nc3ccccc3cc2c1,mutagenic +Cn1cnc2C(=N)[N+](=O)[CH-]Nc12,mutagenic +Fc1cccc2cccnc12,mutagenic +OC1CC=Cc2cccnc12,non-mutagenic +Oc1ccc2c3ccccc3c4c(ccc5ccc1c2c45)[N+](=O)[O-],mutagenic +O=C(CN1C(=O)Sc2ccccc12)OCc3ccccc3,non-mutagenic +CC(=O)N(O)c1ccccc1,non-mutagenic +Clc1c(Cl)c(Cl)c2ccccc2c1Cl,non-mutagenic +COc1ccc2c(c1)nc(N)n2C,mutagenic +CCOC(=O)c1c2c(nn[n+]1[O-])c3ccccc3n2C,mutagenic +C(N1C2C1c3ccccc3c4ccccc24)c5ccccc5,mutagenic +O=C1c2ccccc2c3c1ccc4ccccc34,mutagenic +CCCCCCCCCCC,non-mutagenic +NC1=NC(=O)N(C=C1I)C2CC(O)C(CO)O2,non-mutagenic +COC(=O)\C(=C(/OP(=O)(OC)OC)\c1cc(Cl)ccc1Cl)\Cl,non-mutagenic +Nc1ncnc2c1ncn2C3OC(CO)CC3O,mutagenic +CC(CC1=C(COC1O)C=O)C2=CCC(C)(C)C2,non-mutagenic +OC[C@H](Cl)CCl,mutagenic +CCOC(=O)OC(=O)OCC,non-mutagenic +NC(=N)c1ccc(cc1)c2cc3ccc(cc3s2)C(=N)N,non-mutagenic +N#N=NC(c1ccccc1)c2ccccc2,mutagenic +Cc1cncc(C)n1,mutagenic +CCCCCCCCCC(=O)\N=C\1/SN(C(=O)CCCCCCCCC)c2ccc(cc12)[N+](=O)[O-],mutagenic +FC[C@H]1CO1,mutagenic +OC(=O)c1ccccc1C2=C3C=C(Br)C(=O)C(=C3Oc4c(Br)c(O)c(Br)cc24)Br,mutagenic +CC1CN(CCN1)c2cc3N(C=C(C(=O)O)C(=O)c3cc2F)c4ccc(F)cc4F,mutagenic +Fc1cccc2c1ccc3ncccc23,mutagenic +CCCc1cc(O)nc(S)n1,non-mutagenic +[O-][N+](=O)c1cc2cccc3c4CCCCc4c5cccc1c5c23,mutagenic +Cc1ccc(C)c(O)c1C,non-mutagenic +COc1ccc(cc1)c2nc([nH]c2c3ccc(OC)cc3)c4ccc(C)cc4C,mutagenic +ClCC1=C(Cl)C(=O)OC1,mutagenic +Oc1c(Cl)cc(Cl)cc1NC(=O)c2c(O)c(Cl)cc(Cl)c2Cl,non-mutagenic +NC(=O)c1cccnc1,non-mutagenic +O[C@H]1C=Cc2c(ccc3c4CCC(=O)c4cc(c23)C(F)(F)F)[C@@H]1O,mutagenic +CCCCCCC(C\C=C\CCCCCCCC(=O)OC)OC(=O)C,non-mutagenic +CCOP(=S)(OCC)SCSP(=S)(OCC)OCC,non-mutagenic +CCCCCCCCBr,non-mutagenic +CCO[C@@H]1C[C@@H]2[C@@H](C)C[C@H]3OC(=O)C(=C)[C@H]3C[C@@]2(C)[C@H](OCC)O1,mutagenic +CCOO,mutagenic +Cc1ccc2c(C)cccc2c1,non-mutagenic +[O-][N+](=O)c1ccc(cc1)C(=O)\C=C\c2ccccc2,mutagenic +CC(OP(=O)(C)F)C(C)(C)C,non-mutagenic +C[C@@H](CN1c2ccccc2Sc3ccccc13)N(C)C,non-mutagenic +Oc1ccc2c3ccccc3C(=O)c4cccc1c24,mutagenic +[O-][N+](=O)c1cccc(\C=N\c2snc3ccccc23)c1,mutagenic +CC(=O)ON(OCc1ccc(Oc2ccccc2)cc1)C(=O)c3ccccc3,mutagenic +FC(F)(F)C(F)(F)Cl,non-mutagenic +Cc1cnc2c(cc(C)c3c2nc(N)n3C)n1,mutagenic +O=C1c2c(ccc3ccccc23)c4ccc5ccccc5c14,non-mutagenic +COc1cccc2c(NCCCNCCCl)c3ccccc3nc12,mutagenic +C\C=C/1\CC(=C)[C@@](C)(O)C(=O)OCC2=CCN3CC[C@H](OC1=O)[C@@H]23,mutagenic +[O-][N+](=O)c1ccc2c(OC(=O)c3ccccc23)c1,mutagenic +COc1c2OC(=O)C=Cc2cc3ccoc13,mutagenic +NC(CCC(=O)NC(CS)C(=O)NCC(=O)O)C(=O)O,mutagenic +Oc1c(Cl)ccc(Cl)c1Cl,non-mutagenic +OS(=O)(=O)Oc1ccc2cc3ccc4cccc5ccc(c2c1)c3c45,non-mutagenic +C(Oc1cccc(OC[C@H]2CO2)c1)[C@H]3CO3,mutagenic +Sc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl,non-mutagenic +O1[C@H]2C=Cc3cccnc3[C@@H]12,mutagenic +CC(=O)Oc1ccccc1C(=O)Oc2ccccc2C(=O)O,non-mutagenic +CCOP(=O)(CC)OCC,non-mutagenic +CC(C)(C)CC(C)(C)c1ccc(O)cc1,non-mutagenic +COP(=O)(OC)O\C(=C/Br)\c1ccc(Cl)cc1Cl,non-mutagenic +Cc1cc(C)c(N)cc1C,mutagenic +Nc1c(Br)cc(Br)c2C(=O)c3ccccc3C(=O)c12,mutagenic +CCCCCCCC[C@H]1CO1,non-mutagenic +O=S1(=O)CCCC1,non-mutagenic +CCc1cc2ccccc2c3ccc4C(O)C(O)C5OC5c4c13,mutagenic +CC(=O)OCc1c(O)cc2C(=O)c3ccccc3C(=O)c2c1O,mutagenic +CCc1ccccc1Nc2ccc(Nc3ccccc3CC)c4C(=O)c5c(O)ccc(O)c5C(=O)c24,mutagenic +C1CCC2C(C1)C3OC3c4ccccc24,non-mutagenic +COc1cc(OC)c2nc3occc3c(OC)c2c1,mutagenic +Cc1ccc2[nH]c3c(C)ccc(C)c3c2c1,mutagenic +Nc1ccc2cc(cc(O)c2c1N=Nc3ccc(cc3S(=O)(=O)O)[N+](=O)[O-])S(=O)(=O)O,non-mutagenic +CN=NO,mutagenic +[O-][N+](=O)c1ccc2c3cccc(c3cc(c2c1)[N+](=O)[O-])[N+](=O)[O-],mutagenic +Nc1ccc(Cc2ccc(N)cc2)cc1,mutagenic +NCCCCCCN,non-mutagenic +O=Cc1ccc2ccc3cccc4ccc1c2c34,mutagenic +NC(=S)NCC=C,non-mutagenic +CC(C)(O)CCc1ccc(O)c2C(=O)c3c(O)c4C5C=COC5Oc4cc3Oc12,mutagenic +CN(C)c1ccc(\C=C\C(=O)c2ccccc2)cc1,non-mutagenic +CCOCc1c(O)cc2C(=O)c3ccccc3C(=O)c2c1O,mutagenic +CCO[P@](=O)(NC(C)C)Oc1ccc(SC)c(C)c1,non-mutagenic +Cc1cc2c(O)cccc2c3cc4C(O)C(O)C=Cc4cc13,mutagenic +CN1N(C(=O)C(=C1C)N=O)c2ccccc2,mutagenic +CC1=C(SCCO1)C(=O)Nc2ccccc2,non-mutagenic +Cc1c(N)cccc1N,mutagenic +CC(N)(CN=[N+]=[N-])C(=O)O,mutagenic +Cc1cc2c(C)c3ccccc3c(C)c2cc1C,mutagenic +COc1cc(OC)c2C(=O)c3c(O)ccc(OC)c3Oc2c1,mutagenic +C[C@]1(O)CC[C@@H]2[C@@H]3CC[C@H]4CC(=C(C[C@]4(C)[C@H]3CC[C@]12C)C=O)O,non-mutagenic +OCCNc1ccc(NCCO)c2C(=O)c3c(O)ccc(O)c3C(=O)c12,mutagenic +[O-][N+](=O)c1cc2CCc3cccc4ccc(c1)c2c34,mutagenic +CN(COC(=O)C)N=O,mutagenic +COC(=O)\C(=C\c1oc(cc1)[N+](=O)[O-])\[N+](=O)[O-],mutagenic +OC(=O)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)O,non-mutagenic +O=C(OCc1ccccc1)c2cccc3cccnc23,non-mutagenic +CN1CCN(CC1)C2=CC(=O)c3[nH]c(C)c4c5ccccc5nc4c3C2=O,mutagenic +O1[C@@H]2C=CC=C[C@H]12,mutagenic +NC(CC(=O)c1ccccc1N)C(=O)O,non-mutagenic +Cc1cc(C)nc(NS(=O)(=O)c2ccc(N)cc2)n1,non-mutagenic +C1c2ccccc2c3ccc4ccc5ccccc5c4c13,mutagenic +Nc1ccc2ccccc2c1,mutagenic +ONc1ccc2ccccc2c1,mutagenic +ClC1=C(COC1=O)C(Br)Br,mutagenic +COC(=O)c1ccc(O)cc1,non-mutagenic +CC(=O)N(O)c1ccc(C)cc1,non-mutagenic +CCCCNCCCC,non-mutagenic +CCOC(=O)N(CCO)N=O,mutagenic +CCCOC(=O)c1cc(Cc2ccc(N)c(c2)C(=O)OCCC)ccc1N,non-mutagenic +Oc1ccc2ccccc2c1,non-mutagenic +Brc1c(Br)c(Br)c(Br)c(Br)c1Br,non-mutagenic +CN(C)CCNC(=O)c1ccc2c(N)c3ccccc3nc2c1,non-mutagenic +CC(=O)c1cc(NC(=O)NC(C)(C)C)ccc1OCC(O)CNC(C)(C)C,non-mutagenic +CN(C)C(N(C)C)(c1ccccc1)c2ccccc2,non-mutagenic +Cc1nnc(NS(=O)(=O)c2ccc(N)cc2)s1,non-mutagenic +Oc1ccc2cccnc2c1,non-mutagenic +CC(C)(Oc1ccc(cc1)[C@H]2CCCc3ccccc23)C(=O)O,non-mutagenic +CCCC\C=C\C=C\C=C\C=C\C=C\OCC(O)CO,mutagenic +O=C1C(=O)c2cccc3ccc4cccc1c4c23,non-mutagenic +CN(CC(=O)C)N=O,mutagenic +Cc1cccc(OP(=O)(Oc2ccccc2)Oc3ccccc3)c1,non-mutagenic +[N-]=[N+]=NCCc1ccccc1,mutagenic +Nc1ccc(cc1)c2ccc(cc2)[N+](=O)[O-],mutagenic +CN(C)CCNC(=O)c1cccc2Oc3ccccc3Oc12,mutagenic +Nc1ccc(cc1)S(=O)(=O)Nc2ccccn2,non-mutagenic +OCCOc1cc(Cl)c(Cl)cc1Cl,non-mutagenic +C1CO1,mutagenic +CN(Cc1ccc(Cl)cc1)N=O,mutagenic +COP(=S)(OC)OC,non-mutagenic +CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,non-mutagenic +CC(=O)N1CCC[C@H]1C(=O)N(CC(=O)O)N=O,mutagenic +CC1C=C(C=O)C(=CC2CC(C)(C)CC12)C=O,non-mutagenic +Cc1cc2ccccc2c3cc(c4ccccc4c13)[N+](=O)[O-],mutagenic +COc1cccc(CN2C3C2c4ccccc4c5ccccc35)c1,mutagenic +CC(C)(C)c1cccc(c1O)C(C)(C)C,non-mutagenic +COC1=CC=C(C=CC1=O)[N+](=O)[O-],mutagenic +C[C@@H]1O[C@H]1c2ccccc2,non-mutagenic +C(Nc1[nH]cnc2ncnc12)c3ccccc3,non-mutagenic +CC(C)Cc1ccc(cc1)C(=O)C,non-mutagenic +CCN1CCN(C(=O)NC(C(=O)NC2C3SC(C)(C)C(N3C2=O)C(=O)O)c4ccccc4)C(=O)C1=O,non-mutagenic +CC(=O)N(O)c1ccc(Oc2ccc(Cl)cc2Cl)cc1,mutagenic +Nc1ccc2c(Cc3cc(N)ccc23)c1,mutagenic +CCN(CC)c1ccc(cc1)c2ccc(cc2)c3ccc(cc3)c4ccc(cc4)N(CC)CC,non-mutagenic +CCC(=O)N(O)c1ccc(cc1)c2ccccc2,mutagenic +COCc1c(O)cc2C(=O)c3ccccc3C(=O)c2c1O,mutagenic +Nc1cnc2ccc3ccccc3c2c1,mutagenic +CNc1ccc(O)cc1,mutagenic +C\C=C/C=C\C=O,mutagenic +O=C1C=Cc2ccccc2C1=O,mutagenic +OC1C2OC2c3cc4c5ccccc5c6ccccc6c4cc3C1O,mutagenic +CCCCCCCCCCCCCCCCCC(=O)NCCCC[C@H](NC(=O)CC[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](C)O[C@H]1[C@H](O)[C@@H](CO)O[C@@H](O)[C@H]1NC(=O)C)C(=O)N)C(=O)O,non-mutagenic +S=C1SC=C(S1)c2ccccc2,non-mutagenic +c1ccccc1,non-mutagenic +CC(C)COC(=O)COc1cc(Cl)c(Cl)cc1Cl,non-mutagenic +Oc1cc(Cl)cc(Cl)c1Cl,non-mutagenic +CN(N=O)N(C(=O)\C(=N/O)\C(=O)C)c1ccccc1,mutagenic +COP(=S)(OC)Oc1ccc(SC)c(C)c1,non-mutagenic +Nc1ccccc1C(=O)OCC=C,non-mutagenic +COc1ccc(cc1O)C2CC(=O)c3c(O)cc(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O)C(O)C4O)cc3O2,non-mutagenic +C=C[C@H]1CCC=CC1,non-mutagenic +C1CCC2C(C1)C=Cc3ccccc23,mutagenic +CN1C2=NC(=O)NC(=O)C2=Nc3cc(C)c(C)cc13,mutagenic +NC(=O)CN1C[C@H](O)CC1=O,non-mutagenic +OC(=O)CCCC(=O)O,non-mutagenic +COc1cc(CC=C)ccc1O,non-mutagenic +Clc1cc2c3ccccc3ccc2c4ccccc14,mutagenic +CCC(C)C=O,non-mutagenic +CCOP(=S)(OCC)SCSC(C)(C)C,non-mutagenic +Cc1ccc(cc1C)S(=O)(=O)O,non-mutagenic +CC(=O)Nc1ccc(\C=C\C(=O)c2ccccc2)cc1,mutagenic +OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C,non-mutagenic +Oc1ccccc1O,non-mutagenic +NC(CSC\C=C\Cl)C(=O)O,non-mutagenic +CC(=O)O[C@@H]1Cc2c3ccc4ccccc4c3cc5ccc(C)c1c25,mutagenic +Brc1c2ccccc2cc3c1ccc4ccccc34,mutagenic +[O-][N+](=O)c1cc(Cl)c(Cl)c(Cl)c1Cl,non-mutagenic +C(Oc1ccc(Cc2ccccc2)cc1)C3CO3,mutagenic +O=NN1CCC=CC1,mutagenic +CC(C)(C)c1cc(ccc1N=O)c2ccccc2,mutagenic +Cc1cc(cc(c1)C#N=O)C#N=O,mutagenic +O[C@@H]1C=Cc2c(ccc3cc4ccccc4cc23)[C@H]1O,mutagenic +ClCc1c2ccccc2c(Cl)c3ccccc13,mutagenic +N[C@H](CCCN(N=O)C(=O)N)C(=O)O,mutagenic +ON(C=O)c1cccc(Cl)c1,non-mutagenic +C1CCC2OCCOCCOCCOC3CCCCC3OCCOCCOCCOC2C1,non-mutagenic +CCC(COC(=O)C(=C)C)(COC(=O)C(=C)C)COC(=O)C(=C)C,mutagenic +CCCCN(CC(O)c1ccc(O)cc1)N=O,non-mutagenic +CNc1ccc(cc1)N=Nc2ccc(cc2)N(C)C(=O)C,mutagenic +CCNC(=O)\C=C\c1oc(cc1)[N+](=O)[O-],mutagenic +CC(C)COC(=O)c1ccccc1C(=O)OCC(C)C,non-mutagenic +COc1ccc2[nH]c3c(C)cc(N)c(C)c3c2c1,mutagenic +CN(C)c1ccc(cc1)N=Nc2cccc(C)c2,mutagenic +CC(=O)OCc1cc(ccc1OC(=O)C)C(=O)C,mutagenic +CCN(CC)C(=O)Nc1ccc(OCC(O)CNC(C)(C)C)c(c1)C(=O)C,non-mutagenic +Nc1c2CCCCc2nc3ccccc13,mutagenic +C[n+]1cccc(c1)C(=O)O,non-mutagenic +[O-][N+](=O)c1ccccc1c2ccccc2,non-mutagenic +CC(=O)O[C@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C)C#C,non-mutagenic +Nc1nc(O)c2nc(O)n(C3CC(O)C(CO)O3)c2n1,non-mutagenic +N#Cc1cccc2cccnc12,mutagenic +[O-][N+](=O)c1ccc(\C=C\C(=O)c2ccc(cc2)[N+](=O)[O-])cc1,mutagenic +ClC(Cl)C(=O)C(Cl)(Cl)Cl,mutagenic +NC(=O)N(CCC(=O)O)N=O,mutagenic +COc1ccc(CO)cc1,non-mutagenic +Oc1ccc2cc3c4ccccc4c5ccccc5c3cc2c1,mutagenic +Brc1ccc(cc1)C(=O)\C=C\c2ccccc2,non-mutagenic +[O-][N+](=O)c1ccc(S)cc1,mutagenic +Nc1ccc(\C=C\c2ccc(cc2)C#N)cc1,mutagenic +COc1ccc(cc1N)[N+](=O)[O-],mutagenic +O[C@@H]1C[C@@](O)(C[C@H](O)[C@H]1O)C(=O)O,non-mutagenic +OC(=O)C(=C)Br,non-mutagenic +CN1CC(O)c2cc3OCOc3c4c5ccccc5CC1c24,mutagenic +Cc1cc(N=Nc2cccnc2)c(N)cc1N,mutagenic +CCCCOP(=O)(OCCCC)Oc1ccccc1,non-mutagenic +CC(C)CCO,non-mutagenic +Nc1ccc(cc1)N=Nc2ccccc2,mutagenic +OC(=O)CSc1ccc2c3ccccc3C(=O)c4cccc1c24,mutagenic +Nc1nc(N)c2[nH]cnc2n1,non-mutagenic +[O-][N+](=O)c1ccccc1C#N,non-mutagenic +OC(=O)c1ccc(cc1)N=Nc2ccc(O)c(c2)C(=O)O,non-mutagenic +OC(=O)\C=C\c1ccccc1[N+](=O)[O-],non-mutagenic +Nc1ccc(c2ccccc12)S(=O)(=O)O,non-mutagenic +CCOC(=O)OC(C1CC2CCN1CC2C=C)c3ccnc4ccc(OC)cc34,non-mutagenic +CCOP(=O)(OCC)Oc1cc(on1)c2ccccc2,non-mutagenic +CCCCON(OC(=O)C)C(=O)c1ccc(C)cc1,mutagenic +C\C=C(/Cl)\C=O,mutagenic +OC(=O)CCC(=O)Nc1ccc(Cl)c(Cl)c1Cl,non-mutagenic +CC(=O)CC(=O)CCC(=O)O,non-mutagenic +ClC(Cl)C1=C(Cl)C(=O)OC1,mutagenic +CC(=C)C(=O)OCCCCOC(=O)C(=C)C,non-mutagenic +CCOP(=O)(OCC)Oc1nc(Cl)c(Cl)cc1Cl,non-mutagenic +CCN(CC)c1ccc(cc1)C(=C2C=CC(=[N+](CC)CC)C=C2)c3ccccc3,mutagenic +NCCNCCN,non-mutagenic +COc1ccc(cc1)S(=O)(=O)N2N=CC(=C(Cl)C2=O)Cl,non-mutagenic +Nc1ccc(cc1)C(=C2C=CC(=N)C=C2)c3ccc(N)cc3,mutagenic +c1ccc2[nH]nnc2c1,mutagenic +CC(=O)\C=C/c1ccc2OCOc2c1,non-mutagenic +CN(N=O)C(=O)c1c(ncn1C)N(C)C(=O)OC(C)(C)C,mutagenic +Cc1ccc2ccc3cc4ccccc4cc3c2c1,mutagenic +Fc1ccc(cc1)C(=O)\C=C\c2ccccc2,non-mutagenic +Cc1ccc2cc3c(ccc4ccccc34)c5[C@@H](O)Cc1c25,mutagenic +CC[C@]1(O)C[C@@H](O)c2c(O)c3C(=O)c4c(O)cccc4C(=O)c3cc2[C@@H]1C(=O)OC,mutagenic +Clc1c(Cl)c(Cl)c(C=C)c(Cl)c1Cl,non-mutagenic +OCCc1ccccc1,non-mutagenic +CCC=O,non-mutagenic +O=C(OCC1CCC2OC2C1)C3CCC4OC4C3,mutagenic +OC1C=Cc2c(ccc3cc4c(ccc5ccccc45)cc23)C1O,mutagenic +C[N+](C)(C)CCCl,non-mutagenic +CNc1ccccc1C(=O)OC,non-mutagenic +CCOc1cccc(c1)[N+](=O)[O-],non-mutagenic +CN1CCN(CC1)c2c(F)cc3C(=O)C(=CN(CCF)c3c2F)C(=O)O,mutagenic +CC(O)COC(=O)C(=C)C,non-mutagenic +Cc1cccn2c1nc3ccc(NO)nc23,mutagenic +COc1cc(OC)c(C=O)cc1OC,non-mutagenic +COc1nsc2c(OCC3CO3)cccc12,mutagenic +NS(=O)(=O)c1cc2c(NCNS2(=O)=O)cc1Cl,non-mutagenic +OC1C=Cc2ccc3cc4c(ccc5ccccc45)cc3c2C1O,mutagenic +Cc1ccsc1,non-mutagenic +CN(C)C#N,non-mutagenic +CCCCCCNC(=O)N1C=C(F)C(=O)NC1=O,non-mutagenic +COC(=O)c1cc2OCOc2c3c1ccc4c(OC)cccc34,mutagenic +CCOC1=CC(=O)C(=CC1=O)NC(=O)C,mutagenic +BrC(Br)C(Br)(Br)Br,non-mutagenic +CNC(=O)Nc1ccccc1,non-mutagenic +Cc1cc(C)c(N)c(C)c1N,mutagenic +CCNc1nc(O)nc(NC(C)C)n1,non-mutagenic +C[C@@H](O)CCl,mutagenic +Nc1ccc2c3cccc4cccc(c2c1)c34,mutagenic +OCC[N+](=O)[O-],mutagenic +COc1ccc(C(=O)c2ccccc2)c(O)c1,non-mutagenic +OC(=O)c1ccccc1C(=O)O,non-mutagenic +CN(C)CCCNc1c2ccccc2nc3c(F)ccc(c13)[N+](=O)[O-],mutagenic +[O-][N+](=O)c1ccc2ccc3cc4C=CCCc4c5ccc1c2c35,mutagenic +CC1(C)Cc2ncccc2c3nc(N)sc13,mutagenic +CCCC[C@@H](CC)COC(=O)C=C,non-mutagenic +Oc1ccccc1\C=N\c2snc3ccccc23,non-mutagenic +CC(=O)N(O)c1ccc2c(Cc3ccccc23)c1,mutagenic +Oc1cccc(Nc2ccccc2)c1,non-mutagenic +CCN(CC)C(=S)SCC(=C)Cl,mutagenic +Oc1c(Br)cc(cc1Br)C2(OS(=O)(=O)c3ccccc23)c4cc(Br)c(O)c(Br)c4,non-mutagenic +CCN(N=O)C#N,mutagenic +CC(C)(C)OCO,non-mutagenic +CC(Br)(CBr)COP(=O)(OCC(C)(Br)CBr)OCC(C)(Br)CBr,non-mutagenic +CO[C@]12[C@H]3N[C@H]3CN1C4=C([C@@H]2COC(=O)N)C(=O)C(=C(C)C4=O)N,mutagenic +CCCCCCCC(=O)O,non-mutagenic +Cn1ccc2c1ccc3ccc4ccc(O)cc4c23,mutagenic +CC(=O)OCc1c2ccccc2c(C)c3c1ccc4ccccc34,mutagenic +Nc1cccc(O)c1[N+](=O)[O-],non-mutagenic +c1cnc2c(c1)ccc3c2ccc4cccnc34,mutagenic +NC1=NC(=O)N(C=C1)[C@@H]2O[C@H](COP(=O)(O)O[C@@H]3[C@@H](CO)O[C@H]([C@@H]3O)n4cnc5c(N)ncnc45)[C@@H](O)[C@H]2O,non-mutagenic +c1ccc2c(c1)c3cccc4c5ccccc5cc2c34,mutagenic +Cc1cccc(OC[C@@H](O)CNC(C)(C)C)c1C,non-mutagenic +CC(=O)Oc1cc(C=O)cc2N3CC4C(N4C(=O)C)C(OC(=O)C)(O3)C(COC(=O)N)c12,mutagenic +OC1C2OC2c3ccc4ncccc4c3C1O,non-mutagenic +CN(C)c1ccc(cc1)N(C)C,mutagenic +CCCN(C(=O)CCCl)c1snc2ccccc12,mutagenic +COc1ccc2nc3cc(Cl)ccc3c(NC(C)CCCN(CCCl)CCCl)c2c1,mutagenic +Nc1ncc(s1)[N+](=O)[O-],mutagenic +[O-][N+](=O)c1cc2CCc3cc4CCCCc4c5CCc(c1)c2c35,mutagenic +CCCCCCCCCCCCCCCCCCN,non-mutagenic +Nc1cc(cc(c1O)S(=O)(=O)O)[N+](=O)[O-],non-mutagenic +C1O[C@@H]1c2c3ccccc3cc4c2ccc5ccccc45,mutagenic +Oc1ccc(CCC(=O)c2c(O)cc(O)cc2O)cc1,non-mutagenic +CCCCCCC=O,non-mutagenic +COc1cc(cc(OC)c1O)[C@H]2[C@H]3[C@H](COC3=O)[C@H](O[C@@H]4O[C@@H]5CO[C@H](O[C@H]5[C@H](O)[C@@H]4O)c6cccs6)c7cc8OCOc8cc27,mutagenic +ClC(Cl)(Cl)Br,mutagenic +CC[C@@H]1NC(=O)c2cc(c(Cl)cc2N1)S(=O)(=O)N,non-mutagenic +Cc1cccc2nc(O)c(O)nc12,mutagenic +[O-][N+](=O)c1cccc2nc3ccccc3nc12,mutagenic +[O-][N+](=O)c1cccc(c1)c2ccc(cc2[N+](=O)[O-])[N+](=O)[O-],mutagenic +CN(Cc1ccc(Br)cc1)N=O,mutagenic +CNc1cc(Oc2ccc(N)cc2)ncn1,mutagenic +CC(=O)Nc1ccc(cc1)c2ccc(NC(=O)C)cc2,mutagenic +CC(=O)Nc1ccc(Oc2ccccc2)cc1,mutagenic +[O-][N+](=O)c1ccc2[nH]c3ccc(cc3c2c1)[N+](=O)[O-],mutagenic +COc1c(O)cc2OC(=CC(=O)c2c1O)c3ccc(O)cc3,non-mutagenic +CC(=O)Nc1ccc(Oc2ccc(cc2)N(OC(=O)C)C(=O)C)cc1,mutagenic +CCCCCCCCCCCCCCCC(=O)O,non-mutagenic +CC(=O)Nc1ccc(CC(=O)O)cc1,non-mutagenic +COc1ccccc1O,non-mutagenic +Cc1ccc2c(C)c3C(O)C(O)c4ccccc4c3nc2c1,non-mutagenic +COC1=CC(=O)c2c(nc(C)c3c4CCCCc4[nH]c23)C1=O,mutagenic +O=C1CCCCCCCCCCCCCCO1,non-mutagenic +C[N+](=NC[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)[O-],non-mutagenic +ClCC=C,mutagenic +NC(CSC(F)(F)C(F)F)C(=O)O,non-mutagenic +COc1cccc(\C=C\C)c1OC,mutagenic +[O-][N+](=O)c1ccc(cc1)[N+](=O)[O-],mutagenic +Cc1cc(O)c2C(=O)c3c(O)cc(O)cc3C(=O)c2c1O,mutagenic +NC(=O)c1ccccc1,non-mutagenic +CCCCN(CCCC)CCCC,non-mutagenic +Oc1ccc2ccc3c4ccccc4ccc3c2c1,mutagenic +c1ccc2nc3c(cc2c1)c4cccc5cccc3c45,non-mutagenic +CN(C)CCNC(=O)c1cccc2nc3ccccc3nc12,mutagenic +ClC[C@]1(C(Cl)Cl)[C@@H]2CC(Cl)(Cl)[C@@]1(CCl)[C@H](Cl)[C@@H]2Cl,mutagenic +Nc1nc2cc(O)ccc2[nH]1,mutagenic +CCC\C=C(\CC)/C=O,non-mutagenic +Nc1cccc(N)n1,mutagenic +Cc1cc(ccc1N=Nc2cc(c3ccccc3c2N)S(=O)(=O)O)c4ccc(N=Nc5cc(c6ccccc6c5N)S(=O)(=O)O)c(C)c4,non-mutagenic +[O-][N+](=O)c1ccc(c2ccc(cc2[N+](=O)[O-])[N+](=O)[O-])c(c1)[N+](=O)[O-],mutagenic +CC(C)(C)N(CC(=O)c1ccc(O)c(CO)c1)Cc2ccccc2,mutagenic +C\C(=C/C=O)\Cl,mutagenic +CC(=O)NCc1onc(n1)c2oc(cc2)[N+](=O)[O-],mutagenic +[O-][N+](=O)c1ccc2c(c1)nc(\C=N\OCc3ccccc3[N+](=O)[O-])n2Cc4ccccc4,mutagenic +Nc1ccc(cc1)S(=O)(=O)Nc2cnc3c(Cl)cccc3n2,non-mutagenic +[O-][N+](=O)c1cccc2c[nH]nc12,mutagenic +COc1ccc2nc3cc(Cl)ccc3c(NCCCNCCCl)c2n1,mutagenic +Nc1c2ncn(C(c3ccccc3)c4ccccc4)c2nc[n+]1[O-],mutagenic +CCCCCN,non-mutagenic +CC\C=C\1/OC(=O)c2ccccc12,mutagenic +CN(C)CCNC(=O)c1cccc2ncc(nc12)c3ccccc3,mutagenic +COc1cc(NS(=O)(=O)C)ccc1Nc2c3ccccc3nc4ccccc24,mutagenic +CCCCCCCOc1ccccc1NC(=O)OC(C)CN(CC)CC,non-mutagenic +O=C1C=CC(=N#N)C=C1,mutagenic +Cc1cc(ccc1[N+](=O)[O-])C(=O)O,mutagenic +C=CCOC[C@H]1CO1,mutagenic +CC[C@@H](C)OC(=O)\C=C\c1oc(cc1)[N+](=O)[O-],mutagenic +OC1C(O)c2ccc3ccc4ccccc4c3c2C5OC15,mutagenic +CCCCOCC(=O)O,non-mutagenic +CN(C)[P+](On1nnc2ccccc12)(N(C)C)N(C)C,non-mutagenic +COc1ccc2C=CC3CCCCC3c2c1,mutagenic +Cc1ccccc1C,non-mutagenic +OC(=O)c1nn(Cc2ccc(Cl)cc2Cl)c3ccccc13,non-mutagenic +CC(C)(C)c1cc(Cc2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)cc(c1O)C(C)(C)C,non-mutagenic +CC(=C)C(=O)C,non-mutagenic +CCOc1ccc(NC(=O)C[C@@H](C)O)cc1,mutagenic +OC(=O)c1ccc(Nc2c3ccccc3nc4cc(ccc24)N=N#N)cc1,mutagenic +OC[C@@H]1CO[C@@H](CCI)O1,mutagenic +[O-][N+](=O)c1cc(cs1)C(=O)Nc2ccccc2,mutagenic +CC(C)CCOC(=O)CC(C)C,non-mutagenic +ClCc1ccncc1,non-mutagenic +COc1c(CO)c(O)cc2C(=O)c3ccccc3C(=O)c12,mutagenic +Cc1ccc(COS(=O)(=O)c2ccc(C)cc2)cc1,non-mutagenic +OC(=O)COc1cc(Cl)c(Cl)cc1Cl,non-mutagenic +[O-][N+](=O)C(Cl)(Cl)Cl,mutagenic +Brc1ccc2C3CCCCC3C4OC4c2c1,non-mutagenic +CCCCCCCCCCCCCCCC(=O)OCC1(O)CC23CCC4c5ccoc5C=CC4(C)C2CCC1C3,non-mutagenic +[O-][N+](=O)c1oc(C=O)cc1,mutagenic +OCc1cccc(c1)[N+](=O)[O-],non-mutagenic +Cc1ccc(O)cc1C,non-mutagenic +CC12CCC=C(C=O)C1(C2)C=O,mutagenic +CSc1ccc(Cl)cc1,non-mutagenic +CC(=O)c1ccc(NO)cc1,mutagenic +OC(=O)c1cc(O)c(O)c(O)c1,non-mutagenic +C=CCN1C2C1c3ccccc3c4ccccc24,mutagenic +Cc1c2ccc3ccccc3c2cc4ccc(O)c(O)c14,mutagenic +CCC(CCC(C)O)COC(=O)CCCCC(=O)O,non-mutagenic +Nc1ccc(cc1N)[N+](=O)[O-],mutagenic +OCc1c2ccccc2c(COS(=O)(=O)O)c3ccc4ccccc4c13,mutagenic +Nc1ccc2cc(cc(O)c2c1N=Nc3ccc(cc3)c4ccc(cc4)N=Nc5cc(c6ccccc6c5N)S(=O)(=O)O)S(=O)(=O)O,mutagenic +Oc1cccc2C(=O)c3cccc(O)c3C(=O)c12,mutagenic +OCCCCCCCCCCCCCCCCCC(=O)O,non-mutagenic +OC1C=Cc2c(ccc3c4ccccc4sc23)C1O,mutagenic +CN(C)c1ccc(cc1)c2ccc(cc2)N(C)C,non-mutagenic +COC(=O)Nc1nc2cc(ccc2[nH]1)\C(=N\O)\c3ccc(F)cc3,mutagenic +COc1c(O)c2OC3OC=CC3c2c4OC(=O)C5=C(CCC5=O)c14,mutagenic +Fc1ccc2cc3c(cc2c1)c4cccc5cccc3c45,mutagenic +CC(C)(N=NC(C)(C)C#N)C#N,non-mutagenic +C[N+](C)(C)CCCNC(=O)C=C,non-mutagenic +C[N+](C)(C)CC(=O)O,non-mutagenic +OCCNCCO,non-mutagenic +Oc1ccc2C(=O)c3cc(O)ccc3C(=O)c2c1,non-mutagenic +Nc1cc(c(N)cc1Cl)[N+](=O)[O-],mutagenic +COP(=O)(OC)[C@H](O)C(Cl)(Cl)Cl,mutagenic +[O-][N+](=O)c1oc(\C=N\N2CCOC2=O)cc1,mutagenic +[O-][N+](=O)c1c(Cl)cc2Oc3cc(Cl)c(Cl)cc3Oc2c1Cl,non-mutagenic +CCCCOCC=O,non-mutagenic +CCCC[C@@H](CC)COC(=O)\C=C\c1ccc(OC)cc1,non-mutagenic +CS(=O)CCC(=O)N1C(CSC1c2ccccc2O)C(=O)O,non-mutagenic +CCCCOC(=O)c1ccc(O)cc1,non-mutagenic +OC1C=Cc2c(ccc3c(c4ccccc4cc23)[N+](=O)[O-])C1O,mutagenic +N\C(=N/O)\c1ccccc1,mutagenic +Nc1cc(Cl)cc(C(=O)O)c1Cl,mutagenic +CCOP(=O)(OCC)O\C(=C/Cl)\c1ccc(Cl)cc1Cl,mutagenic +Nc1ccc(cc1)N=Nc2cccc(N)c2N,mutagenic +C[C@@H](C[C@H](O)[C@H]1O[C@@H]2CC[C@@]3(CC[C@@H](O3)\C=C\[C@@H](C)[C@@H]4CC(=C[C@@]5(O[C@H](C[C@@](C)(O)C(=O)O)CC[C@@H]5O)O4)C)O[C@H]2[C@H](O)C1=C)[C@H]6O[C@@]7(CCCCO7)CC[C@H]6C,non-mutagenic +CC(C)(Oc1ccc(cc1)[C@@H]2CC2(Cl)Cl)C(=O)O,non-mutagenic +Nc1ccc(cc1)C(=O)OCCCOC(=O)c2ccc(N)cc2,non-mutagenic +CC(C)COC(=O)\C=C\c1oc(cc1)[N+](=O)[O-],mutagenic +Oc1cnnc(O)n1,mutagenic +C=Cc1ccccc1C=C,non-mutagenic +Oc1ccc2c(Oc3cc(O)ccc3C24OC(=O)c5ccccc45)c1,non-mutagenic +CC(=C)C(=O)OCCOC(=O)C(=C)C,non-mutagenic +CCCCCCCCCCCC(=O)O,non-mutagenic +Cc1ccccc1c2ccc(N)cc2,mutagenic +OC(=O)C(Br)(Br)Br,mutagenic +CN(CS(=O)(=O)O)C1=C(C)N(C)N(C1=O)c2ccccc2,mutagenic +OC(=O)c1cc(I)cc2cccnc12,non-mutagenic +ClC(Cl)(Cl)[C@@H]1CO1,mutagenic +O=S(=O)(Cc1ccccc1)N2C3C2c4ccccc4c5ccccc35,mutagenic +OC1CCCc2c1c(c3ccc4cccc5ccc2c3c45)[N+](=O)[O-],non-mutagenic +Cc1ncc(CO)c(CO)c1O,non-mutagenic +CC(C)CCOS(=O)(=O)C,mutagenic +BrC(C(=O)NCc1ccccc1)c2ccccc2,non-mutagenic +ClC(=O)c1c(Cl)cccc1Cl,mutagenic +NC1=CC(=O)C(=O)c2ccccc12,mutagenic +Cc1cc(c2ccccc2c1)[N+](=O)[O-],mutagenic +COS(=O)(=O)F,mutagenic +CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n2ccnc2,non-mutagenic +Nc1ncnc2c1ncn2C3OC(CO)C(O)C3O,non-mutagenic +ClCC(Cl)(Cl)Cl,non-mutagenic +[O-][N+](=O)c1cc(cs1)C(=O)Nc2ccccc2[N+](=O)[O-],mutagenic +CC(=C)C=O,mutagenic +O1c2c1c3cc4ccccc4cc3c5ccccc25,mutagenic +[O-][N+](=O)c1ccc(Oc2c(Cl)cc(Cl)cc2Cl)cc1,mutagenic +CC[C@@H](C)c1ccccc1O,non-mutagenic +C(Oc1ccccc1Cc2ccccc2)C3CO3,mutagenic +CC[n+]1c2ccccc2nc3ccccc13,mutagenic +CC1=CC2=C(C=O)C(=O)[C@](C)(O)[C@H](O)C2=CO1,mutagenic +C[n+]1c2ccccc2cc3ccc(N)cc13,mutagenic +[O-][N+](=O)c1cccc2c(cccc12)[N+](=O)[O-],mutagenic +CC(=O)C1c2cccc(O)c2C(=O)c3c(O)cccc13,mutagenic +Clc1cc2Oc3cc(Cl)c(Cl)cc3Oc2cc1Cl,non-mutagenic +OCC(O)C(O)C(O)C(O)C1SCC(N1N=O)C(=O)O,non-mutagenic +CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)O,non-mutagenic +OC(=O)c1ccc(Cl)c(c1)[N+](=O)[O-],mutagenic +Clc1cccc(Cl)c1NC2=NCCN2,non-mutagenic +N#CCCC#N,non-mutagenic +OC(=O)CN=N#N,non-mutagenic +FC(F)(F)COC=C,mutagenic +[O-][N+](=O)c1ccc(Nc2[nH]cnc3ncnc23)cc1,non-mutagenic +OC(=O)C[C@H](Cl)C(=O)O,non-mutagenic +Oc1ccc(cc1)C(=O)\C=C\c2ccccc2,non-mutagenic +Clc1ccccn1,mutagenic +CC1=C(O)C(=C(C(=O)C1=O)C2=C(O)C(=C(C)C(=O)C2=O)O)O,non-mutagenic +COc1cc(N)c2C(=O)c3ccccc3C(=O)c2c1N,mutagenic +C[C@@H](CN(C[C@H](C)OC(=O)C)N=O)OC(=O)C,mutagenic +Oc1cc2ccc3cccc4ccc(n1)c2c34,mutagenic +[O-][N+](=O)c1ccc2ccc3ccc(c4c5CCCCc5c1c2c34)[N+](=O)[O-],mutagenic +C[Si](C)(C)N[Si](C)(C)C,non-mutagenic +Cc1ccc2nc3c(ccc4ccccc34)c(C)c2c1,mutagenic +ClCc1cnc(Cl)nc1Cl,mutagenic +COc1cccc(NC(=O)c2csc(c2)[N+](=O)[O-])c1,mutagenic +Nc1ccc(O)c2C(=O)c3ccccc3C(=O)c12,mutagenic +c1ccc(cc1)c2ccccc2,non-mutagenic +[O-][N+](=O)c1ccc2Oc3cc(ccc3Oc2c1)[N+](=O)[O-],mutagenic +OC1C(O)c2cc3c(ccc4ccccc34)cc2c5ccccc15,mutagenic +CCC1=C(O)C(=O)c2c(O)c(O)c(O)c(O)c2C1=O,mutagenic +C1CNCCN1,non-mutagenic +Cc1nc2C(=O)C=CC(=O)c2c3[nH]c4ccccc4c13,mutagenic +Cc1ccc2c(cccc2c1)[N+](=O)[O-],mutagenic +C1COCCOCCOCCOCCO1,non-mutagenic +CC(C)NCC(O)COc1ccccc1CC=C,non-mutagenic +[O-][N+](=O)c1ccc2ccc3cccc4c5ccccc5c1c2c34,mutagenic +CCOP(=S)(OCC)S[C@@H]1OCCO[C@H]1SP(=S)(OCC)OCC,mutagenic +CC(=CCC\C(=C\CO)\C)C,non-mutagenic +[O-][N+](=O)c1cc(Cl)ccc1Cl,mutagenic +Nc1cccc2Cc3ccccc3c12,mutagenic +CC12CCC3C(CCC4CC(O)CCC34C)C1CCC(=O)N2,non-mutagenic +OCCCNP(=O)(O)N(CCCl)CCCl,mutagenic +OCC(Cl)(Cl)Cl,mutagenic +CCCCNc1snc2ccccc12,non-mutagenic +O=CNc1ccccc1,non-mutagenic +CCCCOc1ccc(\C=N\c2ccc(CC)cc2)cc1,mutagenic +CC(C)C1=CC(=O)C(=CC1=O)C,non-mutagenic +OC1OC(=O)C(=C1Cl)Cl,mutagenic +Fc1ccc2ncccc2c1,mutagenic +[O-][N+](=O)c1ccc(C=C)cc1,mutagenic +COC(=O)c1occ(c2ccccc2)c1c3ccccc3,non-mutagenic +CN=[N+](C)[O-],mutagenic +CCC(=O)OCc1ccc(cc1)[N+](=O)[O-],mutagenic +CCC(C)c1cc(cc(c1O)[N+](=O)[O-])[N+](=O)[O-],non-mutagenic +CCOC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1cccc(c1)N(CCCl)CCCl)NC(=O)[C@@H](N)Cc2ccc(F)cc2,mutagenic +O1C2C1c3cscc3c4cscc24,mutagenic +CC(C)OC(=O)c1cc(Cc2ccc(N)c(c2)C(=O)OC(C)C)ccc1N,non-mutagenic +OC1C=Cc2c(ccc3cccnc23)C1O,mutagenic +c1ccc2cc3c(ccc4ccncc34)cc2c1,mutagenic +Oc1cccc2Cc3cccc(O)c3C(=O)c12,non-mutagenic +Nc1cccc2cccc(N)c12,mutagenic +CC(=O)c1cccn1[N+](=O)[O-],mutagenic +SCc1ccccc1,non-mutagenic +Nc1ccc(c2ccc(cc2N)[N+](=O)[O-])c(c1)[N+](=O)[O-],mutagenic +Oc1c(Br)cc2c(Oc3c(Br)c(O)c(Br)cc3C24OS(=O)(=O)c5ccccc45)c1Br,mutagenic +CC(=O)Nc1ccc(C)cc1,mutagenic +Nc1ncnc2c1ncn2C(c3ccccc3)c4ccccc4,mutagenic +OCC1OC(CC1O)N2C=C(\C=C\Br)C(=O)NC2=O,non-mutagenic +O=C(ON(OCc1ccccc1)C(=O)c2ccccc2)c3ccc(cc3)C#N,mutagenic +Nc1nc(O)c2ncn(C3CC(CO)C=C3)c2n1,non-mutagenic +COC(=O)c1c(O)c2ccccc2c3OC(C)(C)C=Cc13,mutagenic +CC(C)(C)OC(=O)C=C,non-mutagenic +Nc1c2C(=O)c3ccccc3C(=O)c2c(NC4CCCCC4)cc1S(=O)(=O)O,non-mutagenic +CCCC[C@@H]1C(=O)N(N(C1=O)c2ccc(O)cc2)c3ccccc3,mutagenic +O[C@H](CBr)[C@H](O)[C@H](O)[C@@H](O)CBr,mutagenic +CCc1nc2ccc(NC)c(C)c2nc1CC,mutagenic +CC(C)(Br)C(=O)NCc1ccccc1,non-mutagenic +COP(=O)OC,mutagenic +NC(=O)NO,mutagenic +CC(C)CCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCC(C)C,non-mutagenic +Cn1cnc(c2ccccc2)c1[N+](=O)[O-],mutagenic +CNc1ccc2ccc3ccc(O)cc3c2c1,mutagenic +[O-][N+](=O)c1oc(C(=O)CBr)c(c2ccccc2)c1c3ccccc3,mutagenic +CCN(CC)c1ccc2C(=CC(=O)Oc2c1)C,non-mutagenic +[O-][N+](=O)c1cc(cs1)C(=O)Nc2cccc(Cl)c2,mutagenic +Oc1cc2C(=O)c3ccccc3C(=O)c2c(O)c1O,mutagenic +Oc1cc(Cl)cc(Cl)c1,non-mutagenic +ClCc1c2ccccc2cc3ccccc13,mutagenic +CC(=C)C1CCC(=C)C2C1C=C(C)C(=O)C3=C2C(=O)C(C)(O)C3,non-mutagenic +CCCCBr,mutagenic +Cc1cc(C)c(C)cc1C,non-mutagenic +Nc1cc(N)c(c2ccccc2)c(c1)[N+](=O)[O-],mutagenic +CCc1cccc(NC(=O)c2csc(c2)[N+](=O)[O-])c1,mutagenic +COc1ccc([Se]c2ccc(OC)cc2)cc1,mutagenic +N1[C@@H]2[C@H]1c3cccc4cccc2c34,mutagenic +[O-][N+](=O)c1ccc2c(c1)C(=O)c3cc(cc(c23)[N+](=O)[O-])[N+](=O)[O-],mutagenic +CCOC(=O)COc1ccc2C(=O)C=C(Oc2c1)c3ccccc3,non-mutagenic +Clc1ccc(CO[C@H](Cn2ccnc2)c3ccc(Cl)cc3Cl)cc1,non-mutagenic +c1ccsc1,non-mutagenic +CC(F)(F)F,non-mutagenic +CCCCOB(OCCCC)OCCCC,non-mutagenic +O=C1CCCCCCCCCCCC(=O)OCCO1,non-mutagenic +CCCN(N=O)C(=N)N[N+](=O)[O-],mutagenic +OC=O,non-mutagenic +CC(C)(c1ccc(OCC(O)CO)cc1)c2ccc(OCC3CO3)cc2,mutagenic +Oc1ccc(Cl)cc1Cc2cc(Cl)ccc2O,mutagenic +CBr,mutagenic +CN(C)c1ccc(cc1)C2CC3(C)C(CCC3(O)CCCO)C4CCC5=CC(=O)CCC5=C24,non-mutagenic +OCC1OC(CC1O)N2C=C(CCCCl)C(=O)NC2=O,non-mutagenic +CCCC=O,non-mutagenic +CCCCCC(=O)\N=C\1/SN(C(=O)CCCCC)c2ccc(cc12)[N+](=O)[O-],mutagenic +Cc1ccc2cc(ccc2c1)[N+](=O)[O-],mutagenic +[O-][N+](=O)c1cc[n+]([O-])cc1,mutagenic +ClC(=C(Cl)C(=C(Cl)Cl)Cl)Cl,non-mutagenic +c1ccc2c(c1)ccc3cc4cnccc4cc23,mutagenic +ClNc1ccc2c(Cc3ccccc23)c1,mutagenic +[O-][N+](=O)c1cnc2c(c1)nc3ccccn23,mutagenic +Cc1ccc(C)c2c3ccccc3[nH]c12,mutagenic +Cc1cc2ncccc2c3ncn(C)c13,non-mutagenic +C\C=C/1\C[C@H](C)[C@@](O)(CO)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@H]23,mutagenic +CC(C)CNc1snc2ccccc12,non-mutagenic +[O-][N+](=O)c1ccc2C(=O)c3ccccc3c2c1,mutagenic +Nc1ccc2c(Cc3ccccc23)c1,mutagenic +CN(C)c1ccc(cc1)N=Nc2ccc3[nH]ncc3c2,mutagenic +BrCc1c2ccccc2c3ccc4cccc5ccc1c3c45,mutagenic +COC(=O)\C(=C\c1oc(cc1)[N+](=O)[O-])\C#N,mutagenic +Cc1cc(C)c2c(ccc3ccccc23)c1,mutagenic +Nc1cc(ccc1C(=O)O)[N+](=O)[O-],mutagenic +CC(O)C(C)O,non-mutagenic +CCC1(CC(=O)O)OCCc2c1[nH]c3c(C)cccc23,non-mutagenic +Nc1cc(N)c(cc1N=Nc2ccc(cc2)c3ccc(cc3)N=Nc4ccc(O)c(c4)C(=O)O)N=Nc5ccc(cc5)S(=O)(=O)O,mutagenic +C[N+]1([O-])CCC(=CC1)c2ccccc2,non-mutagenic +CC(=O)Nc1ccc(NC(=O)C)c2C(=O)c3ccccc3C(=O)c12,mutagenic +COc1cc2N3[C@H]4[C@@H]5[C@@H](CC3=O)OCC=C6CN7CC[C@]4([C@H]7C[C@@H]56)c2cc1OC,non-mutagenic +CNc1c(C)cc2ncccc2c1N,non-mutagenic +COc1nncc2ccccc12,non-mutagenic +CCC1OC(=O)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C(OC3OC(C)CC(C3O)N(C)C)C(C)(O)CC(C)CN(C)C(C)C(O)C1(C)O,non-mutagenic +OC(=O)c1cc(Cl)ccc1O,non-mutagenic +C[C@H]1CN(N=O)C(=O)NC1=O,mutagenic +ClCc1cc2c3ccccc3cc4ccc5cccc1c5c24,mutagenic +CC(C)c1ccc(C)c2c(cc(C)c2c1)S(=O)(=O)O,non-mutagenic +COc1ccc(cc1)[N+](=O)[O-],mutagenic +O1[C@@H]2C=Cc3c(ccc4c5C=Cc6cccc(cc34)c56)[C@H]12,mutagenic +O=C1CCCc2c1ccc3c2ccc4ccccc34,mutagenic +Nc1cccc(N)c1,mutagenic +O=NN1CCN(CC1)N=O,mutagenic +C[N+](C)(C)Cc1ccccc1,non-mutagenic +O=C=Nc1cccc2c(cccc12)N=C=O,non-mutagenic +CCCCCCCCCCCCS,non-mutagenic +COc1cccc2c1cc3NC(=O)c4cc5OCOc5c2c34,mutagenic +C1CSCCS1,mutagenic +NC(=O)C1(O[C@H]1C(=O)c2ccccc2)C(=O)N,mutagenic +CCCCCn1cc2C[C@@H]3[C@H](C=C(C)CN3C)c4cccc1c24,mutagenic +Cc1cc(Cc2ccc(N)c(C)c2)ccc1N,mutagenic +ClC(Cl)(Cl)C=O,mutagenic +CCCCCC\C=C/CCCCCCOC(=O)C,non-mutagenic +Oc1ccc2c(cccc2c1)S(=O)(=O)O,non-mutagenic +CC1CCCC(=O)CCCCCc2cc(O)cc(O)c2C(=O)O1,non-mutagenic +CC\C(=C(\CC)/c1ccc(O)cc1)\c2ccc(O)cc2,non-mutagenic +CCN(CC)c1ccc(cc1)N=Nc2ccc(cc2)[N+](=O)[O-],mutagenic +Nc1ccc2ncccc2c1,non-mutagenic +OC(=S)c1ccccc1,non-mutagenic +CCOP(=O)(OCC)Oc1cc(C)nc(n1)C(C)C,mutagenic +COC(C)CCOC(=O)C,non-mutagenic +OCC(O)C(O)C(O)C(O)C(=O)O,non-mutagenic +CCOC(=O)c1[nH]c2ccccc2c1\N=C\c3ccc(O)cc3,mutagenic +OC(=O)CNC(=O)c1ccc(cc1)[N+](=O)[O-],mutagenic +O=C1NC(=O)NC(=O)N1,non-mutagenic +Oc1ccc2cc(cc(c2c1N=Nc3ccc(cc3)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O,non-mutagenic +CCCCCC(=O)OC1(CCC2C3CCC4=CC(=O)CCC4C3CCC12C)C(=O)C,non-mutagenic +O[C@H]1CCCN(C1)N=O,mutagenic +ClCC(=O)c1ccc(Cl)cc1Cl,mutagenic +[O-][N+](=O)c1ccc(CNc2[nH]cnc3ncnc23)cc1,mutagenic +Nc1ccc2cccc3c4ccccc4c1c23,mutagenic +CC(=O)OCc1ccc(cc1)N=Nc2ccc(COC(=O)C)cc2,mutagenic +CC(OP(=O)(OC(C)C(Br)CBr)OC(C)C(Br)CBr)C(Br)CBr,mutagenic +O[C@@H]1C=Cc2ccc3c(ccc4ccccc34)c2[C@H]1O,mutagenic +C(OCC1CCC2OC2C1)C3CCC4OC4C3,mutagenic +CC1(N(O)c2ccccc2C1=O)c3ccccc3,non-mutagenic +c1ccc2c(c1)ccc3cc4ccc5ccccc5c4cc23,mutagenic +COc1cc(OC)c2C3C=COC3Oc2c1,mutagenic +BrCC(Br)(Br)Br,mutagenic +C[n+]1cccc2[C@@H]3O[C@@H]3C=Cc12,mutagenic +CNN=NC,mutagenic +Cc1cc2ncccc2c3nc(N=N#N)n(C)c13,mutagenic +COC(=O)C1=C(C)N=C(C)C(=C(O)OCCc2ccc(cc2)N3CCN(CC3)C(c4ccccc4)c5ccccc5)C1c6cccc(c6)[N+](=O)[O-],non-mutagenic +OC1C=Cc2c(ccc3c(Cl)c4ccccc4cc23)C1O,mutagenic +O=C1C(=O)c2cc3ccccc3c4ccc5cccc1c5c24,mutagenic +Cc1ccc2c(ccc3[nH]c4ccc5ccccc5c4c23)c1,mutagenic +CN(C)C(=S)N(C)C,non-mutagenic +CCCCCCCCCCCCCCN(OC(=O)C)c1ccc2c(Cc3ccccc23)c1,mutagenic +C=C=O,mutagenic +OC1C(O)c2ccc3c(ccc[n+]3[O-])c2C4OC14,non-mutagenic +Clc1ccccc1C=C,non-mutagenic +BrCc1cc2c3ccccc3c4cccc(c1)c24,mutagenic +NC1=NC(=O)N(C=C1CCCl)C2CC(O)C(CO)O2,non-mutagenic +NC(=S(=O)=O)N,mutagenic +Fc1cnc2c(ccc3ncc(F)cc23)c1,non-mutagenic +C\C(=C(/CCOC(=O)c1ccccc1)\SC(=O)c2ccccc2)\N(Cc3cnc(C)nc3N)C=O,non-mutagenic +C[C@@H](O)[C@H](NC(=O)[C@@H](C)[C@H](O)[C@@H](C)NC(=O)[C@@H](NC(=O)c1nc(nc(N)c1C)[C@H](CC(=O)N)NC[C@H](N)C(=O)N)[C@@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@H](O)[C@@H]2O[C@H]3O[C@H](CO)[C@@H](O)[C@H](OC(=O)N)[C@@H]3O)c4c[nH]cn4)C(=O)NCCc5nc(cs5)c6nc(cs6)C(=O)O,non-mutagenic +Nc1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-],mutagenic +Oc1c(Cl)c(Cl)c(O)c2C(=O)C=CC(=O)c12,mutagenic +CC(C)CCCC(C)C1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OCCOCCO,non-mutagenic +CC(=O)Nc1ccc(Oc2ccc(cc2)N(O)C=O)cc1,mutagenic +[O-][N+](=O)c1cc(cs1)C(=O)Nc2cccc(Br)c2,mutagenic +Fc1cnc2ccccc2c1,non-mutagenic +Cc1cccc(C(=O)O)c1[N+](=O)[O-],mutagenic +O=C(OC\C=C\c1ccccc1)\C=C\c2ccccc2,mutagenic +CCOP(=S)(OCC)OP(=S)(OCC)OCC,mutagenic +NC(=O)c1cc[n+](COC[n+]2ccccc2\C=N\O)cc1,non-mutagenic +O[C@H]1[C@H](O)c2nc3ccc4ccccc4c3cc2c5ccccc15,non-mutagenic +CC(C)CN(CC(C)C)CC(C)C,non-mutagenic +Oc1c(cc2c3ccccc3[nH]c2c1[N+](=O)[O-])[N+](=O)[O-],mutagenic +BrCc1ccc(Br)cc1,non-mutagenic +Clc1cccc(Cl)c1C=O,non-mutagenic +CNc1nc2c3cccnc3ccc2n1C,mutagenic +ClCC1(C(Cl)Cl)C2C(Cl)C(Cl)C1(C(Cl)Cl)C(Cl)C2Cl,non-mutagenic +NCCN,mutagenic +Nc1nc2C3CCCNC3CCc2s1,non-mutagenic +O[C@@H]([C@H](O)C(=O)O)C(=O)O,non-mutagenic +OC[C@H]1O[C@@H](Oc2cc(O)cc3Oc4c(O)ccc(O)c4C(=O)c23)[C@H](O)[C@@H](O)[C@@H]1O,mutagenic +c1ccc2[nH]c(nc2c1)c3cscn3,mutagenic +CCCCOc1ccc(CC(=O)NO)cc1,mutagenic +[O-][N+](=O)c1nc2ccccc2[nH]1,mutagenic +Cc1cccn2c1nc3ccc(N)nc23,mutagenic +Nc1ccc(c2ccc(N)cc2[N+](=O)[O-])c(c1)[N+](=O)[O-],mutagenic +[O-][N+](=O)c1ccc2c(c1)cc(c3ccc(cc23)[N+](=O)[O-])[N+](=O)[O-],mutagenic +NC(=O)c1cccc(c1)[N+](=O)[O-],mutagenic +Cc1ccc2OC(=O)C=Cc2c1,non-mutagenic +CC12CCC3C(CC=C4CC(O)CCC34C)C1CCC2=O,non-mutagenic +ONc1ccccc1,mutagenic +Oc1c(cc2c3cc(ccc3[nH]c2c1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],mutagenic +Cc1ccc(NO)cc1,mutagenic +COc1ccccc1[N+](=O)[O-],mutagenic +Oc1nncc2ccccc12,non-mutagenic +Cc1cc(C)c(N)c(C)c1,mutagenic +CC(C)(C)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,non-mutagenic +[O-][N+](=O)c1oc(\C=N\N2C(=O)C=C(C=C2c3ccccc3)c4ccccc4)cc1,mutagenic +CC1=C(O)C(=O)CO1,mutagenic +CC[C@@H](Cl)[N+](=O)[O-],mutagenic +COC(=O)c1cc(Cc2ccc(N)c(c2)C(=O)OC)ccc1N,mutagenic +OCCNCc1oc(cc1)[N+](=O)[O-],mutagenic +COc1cc(C(O)c2ncc([N+](=O)[O-])n2C)c(O)c(c1)C(C)(C)C,mutagenic +Oc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],mutagenic +Oc1ccc(cc1)C2CC(=O)c3c(O)cc(O)cc3O2,non-mutagenic +COc1cc(CCC(=O)C)ccc1O,non-mutagenic +CN[C@H](C)[C@@H](O)c1ccccc1,non-mutagenic +NCCc1ccc(O)c(O)c1,mutagenic +CCCC\C=C\C=O,mutagenic +COC(=O)c1cccc2Oc3c4[C@@H]5C=CO[C@H]5Oc4cc(OC)c3C(=O)c12,mutagenic +CC1=CC(O)C2CC1C2(C)C,non-mutagenic +ICCc1ccc(OCc2ccccc2)cc1,mutagenic +CCOC(=O)c1[nH]c2ccccc2c1\N=C\c3cc(OC)c(OC)c(OC)c3,mutagenic +[O-][N+](=O)c1ccc(s1)[C@@H]2NC(=O)c3ccccc3N2,mutagenic +C=CC(=O)N1CCN(CC1)c2ccccc2,non-mutagenic +CC(=O)c1ccc(s1)[N+](=O)[O-],mutagenic +c1cnccn1,non-mutagenic +CC1c2ccccc2c3ccccc13,mutagenic +CC(C)(c1cc(Br)c(O)c(Br)c1)c2cc(Br)c(O)c(Br)c2,non-mutagenic +COC=C,non-mutagenic +OC1COC(OCC2OC(Oc3ccc4C(=O)c5ccccc5C(=O)c4c3O)C(O)C(O)C2O)C(O)C1O,non-mutagenic +OC(=O)C(Cl)Cl,mutagenic +O=C1c2ccccc2c3cccc4cccc1c34,mutagenic +CC(Br)C(Br)COP(=O)(OCC(Br)C(C)Br)OCC(Br)C(C)Br,mutagenic +CCOCN(C(=O)CCl)c1c(C)cccc1CC,non-mutagenic +OS(=O)(=O)c1ccccc1[N+](=O)[O-],non-mutagenic +CCCCCCC(=O)OCC,non-mutagenic +CC(C)(Cl)OC(C)(C)Cl,mutagenic +CCOc1ccc(cc1)N=[N+]([O-])c2ccc(OCC)cc2,non-mutagenic +Oc1ccc2c(ccc3[nH]c4ccc5ccccc5c4c23)c1,mutagenic +OS(=O)(=O)c1cccc2C(=O)c3c(cccc3[N+](=O)[O-])C(=O)c12,mutagenic +CC(=C)C(=O)OC[C@H]1CO1,mutagenic +CC1C2C(=Nc3ccc(C)cc23)N(C)c4ccccc14,mutagenic +CC1CN(\N=C\c2oc(cc2)[N+](=O)[O-])C(=O)N1,mutagenic +COC(=O)C(CSCC(Br)c1ccccc1)NC(=O)C,non-mutagenic +Cc1cc(ccc1N=Nc2c(O)c3c(N)cc(cc3cc2S(=O)(=O)O)S(=O)(=O)O)c4ccc(N=Nc5c(O)c6c(N)cc(cc6cc5S(=O)(=O)O)S(=O)(=O)O)c(C)c4,mutagenic +CC(=O)Nc1ccc(cc1)C(=O)CCl,mutagenic +OCNC(=O)CCl,non-mutagenic +C[C@@H](Nc1[nH]cnc2nc(cc12)c3ccc(CCl)cc3)c4ccccc4,mutagenic +CC1C=C(C=O)C(=CC2(O)CC(C)(C)CC12)C=O,mutagenic +COc1cc(c(C)cc1N=Nc2c(O)ccc3cc(ccc23)S(=O)(=O)O)S(=O)(=O)O,non-mutagenic +C1c2ccc3ccccc3c2Cc4ccc5ccccc5c14,mutagenic +CC1=C2C(O)C(C)(CO)C=C2C(=O)C(C)(O)C13CC3,mutagenic +OCCI,mutagenic +CC(=O)OC(C)(C)C1Cc2cc3C=C(C(=O)Oc3cc2O1)C(C)(C)C=C,non-mutagenic +OS(=O)c1ccc(Cl)cc1,non-mutagenic +O=C1NC(=O)C(N1)(c2ccccc2)c3ccccc3,non-mutagenic +Oc1ccccc1c2oc3ccccc3n2,non-mutagenic +CC(C)CN(C(=O)CCCl)c1snc2ccccc12,non-mutagenic +COc1cc(ccc1N=C=O)c2ccc(N=C=O)c(OC)c2,mutagenic +COP(=O)(OC)C(OC(=O)CCl)C(Cl)(Cl)Cl,non-mutagenic +Oc1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-],non-mutagenic +CCCCN(CCC(=O)O)N=O,mutagenic +Clc1ccc2c(oc3ccccc23)c1,mutagenic +COc1cc(OC)c(cc1OC)C2OC2C,mutagenic +NNc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],mutagenic +COc1c2ccoc2nc3c(OC)c4OCOc4cc13,mutagenic +Oc1ccc(Nc2ccc(cc2[N+](=O)[O-])[N+](=O)[O-])cc1,mutagenic +CCC(=O)C1c2cccc(O)c2C(=O)c3c(O)cccc13,mutagenic +OC(=O)c1cc(ccc1O)N=Nc2ccc(cc2)c3ccc(cc3)N=Nc4ccc(N=Nc5ccc(O)c(c5)C(=O)O)c6cc(ccc46)S(=O)(=O)O,mutagenic +[O-][N+](=O)c1cc(NS(=O)(=O)c2cccc3cccnc23)ccc1Cl,non-mutagenic +CC(=O)N(O)c1ccc(cc1)[N+](=O)[O-],mutagenic +CCCCCCCCCC(=O)O,non-mutagenic +NC(CSC(F)(F)C(F)Cl)C(=O)O,non-mutagenic +COc1c2OC(=O)C=Cc2c(OC)c3ccoc13,non-mutagenic +CNC(=O)Oc1cccc2CC(C)(C)Oc12,non-mutagenic +CC(C)(C)OC(=O)C(N)CN=N#N,mutagenic +CCCCOC(=O)COc1ccc(Cl)cc1Cl,non-mutagenic +Nc1ccc(Cl)c(Cl)c1Cl,non-mutagenic +Cc1cc2cccc3ccc4c5ccccc5cc1c4c23,mutagenic +C\C=C/C=C,non-mutagenic +Clc1cccc2cccnc12,mutagenic +OCCNCCNc1ccc(NCCNCCO)c2C(=O)c3c(O)ccc(O)c3C(=O)c12,mutagenic +CN(C)CCO[C@H](c1ccccc1)c2ccccc2C,non-mutagenic +CCc1c(O)ccc2c3CCO[C@@](CC)(CC(=O)O)c3[nH]c12,mutagenic +CC(=O)[C@H]1CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,non-mutagenic +Cc1ccc(c(C)c1[N+](=O)[O-])[N+](=O)[O-],mutagenic +Cc1cc(N=Nc2ccc(cc2)S(=O)(=O)O)c(N)cc1N,mutagenic +CCN(Cc1cccc(c1)S(=O)(=O)O)c2ccc(cc2)C(=C3C=CC(=[N+](CC)Cc4cccc(c4)S(=O)(=O)O)C=C3)c5ccc(cc5)S(=O)(=O)O,mutagenic +Nc1cc2c3ccccc3c4cccc(c1)c24,mutagenic +Cc1cc2c(C)c3ccccc3nc2c4ccccc14,mutagenic +OC(=O)\C(=C(/Br)\C=O)\Br,mutagenic +O=C1CSC(=S)N1,non-mutagenic +CC(C)(C)OC(=O)O\N=C(/C#N)\c1ccccc1,non-mutagenic +BrCC=C,mutagenic +CCC(C)N1C(=O)NC(=C(Br)C1=O)C,non-mutagenic +[O-][N+](=O)c1oc(cc1)c2cscn2,mutagenic +NC(=N)NN=C(\C=C/c1oc(cc1)[N+](=O)[O-])\C=C/c2oc(cc2)[N+](=O)[O-],mutagenic +ClC1=C(Cl)[C@@]2(Cl)[C@H]3COS(=O)OC[C@@H]3[C@]1(Cl)C2(Cl)Cl,non-mutagenic +Clc1ccc(Cl)c(Cl)c1,non-mutagenic +COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@@H]([C@H](O)[C@H](C)O5)N6CCOC[C@H]6C#N)c4c(O)c3C(=O)c12)C(=O)CO,non-mutagenic +COc1cccc(CN(C)N=O)c1,mutagenic +[C-]#[O+],non-mutagenic +CCCCOc1ccc2nc3cc(Cl)ccc3c(NCCCNCCCl)c2n1,mutagenic +Cc1cc(C)cc(N)c1,mutagenic +Oc1c(Cl)cc(Cl)c(Cl)c1Cl,non-mutagenic +CC(=O)Oc1cccc2cccnc12,non-mutagenic +Fc1cc(F)c2cccnc2c1,mutagenic +CCCCCCCCCCOC(=O)C(=C)C,non-mutagenic +CC(=O)C(=O)c1ccccc1,non-mutagenic +Cc1ccc2cc3ccccc3c(C)c2c1,mutagenic +Nc1ncnc2c1ncn2C3CC(O)C(CO)O3,non-mutagenic +CC(C)S,non-mutagenic +Clc1cccc2cc3ccccc3cc12,non-mutagenic +c1ccc2c(c1)cc3sc4cccc5ccc2c3c45,mutagenic +CC(=O)Nc1ccc2ccc3c(O)ccc4ccc1c2c34,mutagenic +Cc1ccc(Nc2ccc(O)c3C(=O)c4ccccc4C(=O)c23)cc1,non-mutagenic +CC(=O)N(O)c1ccc(Cl)c(Cl)c1,non-mutagenic +OCc1ccc2nc3c(ccc4ccccc34)c(CO)c2c1,mutagenic +ClC(C(=O)NCc1ccccc1)c2ccccc2,mutagenic +C[C@@H](O)[C@@H](N)[C@H](O)[C@H](O)C=O,non-mutagenic +Clc1c(Cl)c(Cl)c2Oc3c(Cl)c(Cl)c(Cl)c(Cl)c3Oc2c1Cl,non-mutagenic +OCC1OC(CC1O)N2C=C(C=O)C(=O)NC2=O,non-mutagenic +O1C(C1c2ccccc2)c3ccccc3,non-mutagenic +OCc1cc2cccc3ccc4cc5ccccc5c1c4c23,non-mutagenic +OC1C(O)c2ccc3c4CCCc4ccc3c2C5OC15,mutagenic +Cc1nccc2c3ccccc3[nH]c12,mutagenic +COC(=O)C1Cc2c([nH]c3ccc(cc23)[N+](=O)[O-])C(C)N1N=O,mutagenic +CCN(CC[N+](C)(C)C)c1ccc(cc1)N=Nc2ccc(cc2Cl)[N+](=O)[O-],mutagenic +COc1ccc2C(=CC(=O)Oc2c1)CBr,non-mutagenic +Nc1ccc2nc3cc(N)ccc3nc2c1,mutagenic +CC(C)(C)c1c(N)ccc2c1Cc3ccccc23,non-mutagenic +c1ccc2ccccc2c1,non-mutagenic +COc1ccc(O)cc1,non-mutagenic +CN1CCc2c1ccc3ccc4ccc(O)cc4c23,mutagenic +[O-][N+](=O)c1ccc2ccc3c4C=CCCc4cc5ccc1c2c35,mutagenic +C[C@@H](O)CNC[C@@H](C)O,non-mutagenic +c1ccc2[nH]cnc2c1,non-mutagenic +OC(=O)CCC(NC(=O)COc1cc(Cl)c(Cl)cc1Cl)C(=O)O,non-mutagenic +COP(=O)(OC)SC,non-mutagenic +CCc1ccnc2ccccc12,non-mutagenic +CCCOC(C(=O)OC1CCN(C)CC1)(c2ccccc2)c3ccccc3,non-mutagenic +CCC[CH-][N+](=O)[O-],non-mutagenic +Oc1ccc(cc1)C2(CCCCC2)c3ccc(O)cc3,non-mutagenic +CCOP(=S)(OCC)Oc1nc(Cl)n(n1)C(C)C,mutagenic +Nc1ccc(\C=C\C(=O)O)cc1,non-mutagenic +Fc1ccc(CCl)cc1,non-mutagenic +Cc1ccc(C)c(C)c1,non-mutagenic +CCOCC(=O)O,non-mutagenic +ONc1ccc(Oc2ccccc2)cc1,mutagenic +NC(Cc1ccccc1)C(=O)O,non-mutagenic +Nc1ccc(cc1N)c2ccc(N)c(N)c2,mutagenic +Cc1cc2c(O)cccc2c3cc4ccccc4cc13,mutagenic +COc1ccc(cc1OC)C(=O)N2CCN(CC2)c3ccc4NC(=O)CCc4c3,non-mutagenic +CCCC(=O)OCC,non-mutagenic +CC(CCC(=O)O)C1CCC2C3CCC4CC(O)CCC4(C)C3CC(=O)C12C,non-mutagenic +[O-][N+](=O)c1ccc2cccc3C=Cc1c23,mutagenic +CC(C)(COC(=O)C=C)COC(=O)C=C,non-mutagenic +O=C1C=Cc2ccc3c(ccc4ccccc34)c2C1=O,mutagenic +Cc1c(O)cccc1O,non-mutagenic +Cc1ccccc1N=Nc2ccc(N=Nc3c(O)ccc4ccccc34)c(C)c2,mutagenic +COc1cc(NS(=O)(=O)C)ccc1Nc2c3ccccc3nc4cc(ccc24)N=N#N,mutagenic +C[C@@H]1C[C@H]2OC(=O)C(=C)[C@H]2[C@H](O)[C@]3(C)[C@H]1C=CC3=O,non-mutagenic +CC(C)OS(=O)(=O)c1ccc(C)cc1,mutagenic +Nc1cccc2nc3cccc(N)c3nc12,non-mutagenic +CN(C)CC[C@@H](c1ccccc1)c2ccccn2,non-mutagenic +[O-][N+](=O)c1ccc(Cl)cc1,mutagenic +CCc1cnccn1,non-mutagenic +Nc1nc(cs1)c2cc(cs2)[N+](=O)[O-],mutagenic +OC(=O)\C(=C(\CCl)/C(Cl)Cl)\Cl,mutagenic +Nc1ccc(C=O)cc1,non-mutagenic +OS(=O)(=O)OCc1c2ccccc2cc3c1ccc4ccccc34,mutagenic +Oc1ccc(Cl)c2C(=O)c3c(O)ccc(Cl)c3C(=O)c12,mutagenic +OS(=O)(=O)ONNCCc1ccccc1,mutagenic +OCc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],mutagenic +CNc1ccc2ncc(C)nc2c1C,mutagenic +CC(=O)Nc1cccc2ncccc12,non-mutagenic +OC(CC(=O)O)C(=O)O,non-mutagenic +Cc1ccc2nc3c4C=CC(O)C(O)c4ccc3c(C)c2c1,mutagenic +C1CN=C(N\N=C\c2c3ccccc3c(\C=N\NC4=NCCN4)c5ccccc25)N1,mutagenic +COc1cc2ccnc3C(=O)c4ccccc4c(c1OC)c23,mutagenic +CCOc1cccc2cccnc12,non-mutagenic +O=C(\C=C\c1ccccc1)c2ccccc2,non-mutagenic +CCOC(=O)CCl,non-mutagenic +O\N=C\c1cccc[n+]1CCOCC#C,non-mutagenic +CC1=CC(=O)C=C(C)C1=O,non-mutagenic +ClCCN(CCCl)CCCl,non-mutagenic +[O-][N+](=O)c1ccc2[nH]c3ccccc3c2c1,mutagenic +NC(CN=N#N)C(=O)O,mutagenic +Cn1c(N)nc2cc(O)ccc12,non-mutagenic +CS(=O)(=O)N1C2C1c3ccccc3c4ccccc24,mutagenic +OCCn1c(CO)ncc1[N+](=O)[O-],mutagenic +C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO,non-mutagenic +CCN=NC(C)(C)OO,non-mutagenic +COC(=O)C,non-mutagenic +ClCC(Cl)Cl,non-mutagenic +CC1C=C(C=O)C(C=O)C(O)C2CC(C)(C)CC12,non-mutagenic +CC(=O)c1c(C)c(c(c(c1C)[N+](=O)[O-])C(C)(C)C)[N+](=O)[O-],non-mutagenic +CC(=O)NN,mutagenic +Cc1ccc(N)cc1O,mutagenic +CCCCOC(=O)c1cccc2cccnc12,non-mutagenic +COc1ccc2c(c1)[nH]c3c(C)nccc23,mutagenic +CC1CC2(OC3OC(CO)C(O)C(O)C3O)C=C(C)C4(CC4)C(C)(O)C2C1=O,mutagenic +[O-][N+](=O)c1c2CCCCc2c3ccc4cccc5ccc1c3c45,non-mutagenic +Cn1c(ncc1[N+](=O)[O-])C(O)c2cc(cc(c2O)C(C)(C)C)C(C)(C)C,non-mutagenic +CC(=O)Nc1cc2Cc3ccccc3c2cc1O,non-mutagenic +[O-][N+](=O)c1ccc2c[nH]nc2c1,mutagenic +CC(=C)C(=O)OCCCCCOC(=O)C(=C)C,non-mutagenic +Cc1cc(C)c2ccccc2c1,non-mutagenic +CCCCCCCCCCCC[C@H]1CO1,non-mutagenic +Cc1ccc(cc1)C(=O)N2N=CC(=C(Cl)C2=O)Cl,non-mutagenic +OC1C2OC2c3c(ccc4cc5c(ccc6ccccc56)nc34)C1O,mutagenic +Cc1ccc(N)cc1N=Nc2cc(N)ccc2C,mutagenic +OC(=O)c1ccc(Cl)c(Cl)c1,non-mutagenic +Cc1ncc2CCCc2n1,non-mutagenic +CCCCON(OC(=O)C)C(=O)c1ccc2ccccc2c1,mutagenic +CN(N=O)C#N,mutagenic +Clc1c(Cl)c(C#N)c(Cl)c(C#N)c1Cl,non-mutagenic +o1ccc2ccccc12,non-mutagenic +CCN(CC)c1ccc2c(c3ccccc3C(=O)O)c4ccc(cc4[o+]c2c1)N(CC)CC,mutagenic +C1N2CN3CN(CN1C3)C2,mutagenic +C[N@+]1([O-])CCC[C@@H]1c2cccnc2,non-mutagenic +NC(=O)c1ccc(N)cc1,non-mutagenic +Cc1cc(C)c(cc1N=Nc2cc(c3ccccc3c2O)S(=O)(=O)O)S(=O)(=O)O,non-mutagenic +COc1ccc(cc1)C2OC2C,mutagenic +Nc1ccc(CCc2ccc(N)cc2)cc1,mutagenic +c1ccc2c(c1)ccc3c4ccccc4ccc23,mutagenic +[O-][N+](=O)c1cccc2nscc12,mutagenic +CN(C)c1ccc(cc1)C(=C2C=CC(=[N+](C)C)C=C2)c3ccccc3,non-mutagenic +Nc1ccc(c2ccc(N)cc2S(=O)(=O)O)c(c1)S(=O)(=O)O,non-mutagenic +[O-][N+](=O)C1=Cc2cccc3cccc1c23,mutagenic +CC(C)OC(=O)C,non-mutagenic +[O-][N+](=O)c1oc(\C=C/c2csc(NC=O)n2)cc1,mutagenic +COC(=O)c1ccc(c2c(NCCCN(C)C)c3ccccc3nc12)[N+](=O)[O-],mutagenic +OCc1ccc2C(=O)c3ccccc3C(=O)c2c1,non-mutagenic +CCN(CC)c1ccc(cc1)N=Nc2cccnc2,non-mutagenic +COCCOC(=O)C,mutagenic +CCC1OC(=O)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C(OC3OC(C)CC(C3O)N(C)C)C(C)(O)CC(C)\C(=N\OCOCCOC)\C(C)C(O)C1(C)O,non-mutagenic +Cc1cc(O)c2C(=C3C(=O)C4C(O)C5C6C(O)C(C(=O)C7=C(O)c8c(O)cc(C)cc8C(=O)C467)C35C(=O)c2c1)O,non-mutagenic +[O-][N+](=O)c1ccc2ncccc2c1,mutagenic +Fc1cc2cccnc2c3cccnc13,mutagenic +CCCCCCCC(=O)\N=C\1/SN(C(=O)CCCCCCC)c2ccc(cc12)[N+](=O)[O-],mutagenic +Nc1ccc(Oc2ccc(cc2)[N+](=O)[O-])cc1,mutagenic +OC(=O)CCC(=O)Nc1ccc(Cl)c(Cl)c1,non-mutagenic +CC(=C)C(=O)O,non-mutagenic +CN(C)c1ccc(cc1)N=Nc2cccc3ccccc23,mutagenic +CN(C)c1ccc(N=Nc2ccccc2)c(C)c1,mutagenic +Nc1c2ccccc2nc3ccc(Cl)cc13,mutagenic +CCN1CCN(CC1)c2cc3N(C=C(C(=O)O)C(=O)c3cc2F)C4CC4,mutagenic +CCC(=O)N(O)c1ccc(\C=C\c2ccccc2)cc1,mutagenic +BrC[C@@H](Br)COP(=O)(OC[C@H](Br)CBr)OC[C@H](Br)CBr,mutagenic +OC1C=Cc2c(cc3c4ccccc4c5c6ccccc6cc2c35)C1O,mutagenic +CC(=O)N(O)c1ccc(cc1)c2ccccc2,mutagenic +CC1(C)CC2C=C(C=O)C34CC3(C2C1)C(=O)OC4O,mutagenic +C[C@@]1(CO1)c2ccc(cc2)[N+](=O)[O-],mutagenic +CN(CCC#N)c1ccc(cc1)N=Nc2ccccc2,mutagenic +CCCCCCC(C)(C)C(=O)OC[C@@H]1CO1,mutagenic +FC(=C(F)F)F,non-mutagenic +C[C@H](CO)[N+](=O)[O-],non-mutagenic +CCN(CC)c1ccc(cc1)C(=C2C=CC(=[N+](CC)CC)C=C2)c3ccc(cc3)N(CC)CC,mutagenic +CC(C)[C@H]1CC[C@H](C)C[C@@H]1O,non-mutagenic +OC1C=Cc2c(ccc3nc4ccc5ccccc5c4cc23)C1O,mutagenic +CC[C@@]12O[C@]1(C(=O)OC)C(=O)O[C@H]2C,mutagenic +CCCCCCOC[C@H]1CO1,mutagenic +CN(C)S(=O)(=O)CCNC(=O)N(CCCl)N=O,mutagenic +OCC1OC(OC2(CO)OC(CO)C(O)C2O)C(O)C(O)C1O,non-mutagenic +CCCCCCCCC\C=C\C[C@H]1CC(=O)OC1=O,non-mutagenic +CC1C=Cc2ccc3ccc4ccccc4c3c12,non-mutagenic +Nc1nc(nc2c1ncn2C3OC(CO)C(O)C3O)c4ccc(cc4)[N+](=O)[O-],mutagenic +OC1C(O)c2cccc3c4cc5ccccc5cc4C6(OC16)c23,mutagenic +COC(=O)c1cc2OCOc2c3c4cccc(OC)c4cc(c13)[N+](=O)[O-],mutagenic +C[C@@H]1C(C)(C)c2cc(C)c(cc2C1(C)C)C(=O)C,non-mutagenic +OC1COC(Nc2ccc(cc2)[N+](=O)[O-])C(O)C1O,non-mutagenic +[O-][N+](=O)c1ccccc1COC(=O)c2ccccc2,non-mutagenic +OC(=O)\C=C\Cl,mutagenic +CC(=O)OCN(N=O)c1ccccc1,mutagenic +Cn1cccc1,non-mutagenic +OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(S)ncnc23,mutagenic +[O-][N+](=O)c1ccc2c(CCc3cc4CCCCc4cc23)c1,mutagenic +[O-][N+](=O)c1cccc(c1)C(=O)ON(OCc2ccccc2)C(=O)c3ccccc3,mutagenic +Nc1ccccc1S,mutagenic +Cc1ccc(N)c(c1)S(=O)(=O)O,non-mutagenic +Oc1c2nc3ccccc3c2nnn1\N=C\c4ccccc4,mutagenic +Cc1cc(O)nc(S)n1,non-mutagenic +ClC(Cl)(Cl)SN1C(=O)[C@@H]2CC=CC[C@H]2C1=O,mutagenic +CN(C)c1ccc(\C=C\C=O)cc1,non-mutagenic +C\C=N\N(C)C=O,non-mutagenic +CCO[P@](=O)(Oc1ccc(cc1)[N+](=O)[O-])c2ccccc2,mutagenic +[O-][N+](=O)c1cc2ccc3cccc4ccc(c1)c2c34,mutagenic +COC(=O)C12OC1(C)C(C)OC2=O,mutagenic +O=C1C=Cc2c(cc3ccc4cccc5ccc2c3c45)C1=O,mutagenic +OC(=O)C(F)(F)C(F)(Cl)C(F)(F)C(F)(Cl)C(F)(F)Cl,non-mutagenic +Cc1ccc2cc3ccc4ccccc4c3cc2c1,mutagenic +CC(C)S(=O)(=O)Cl,mutagenic +OC(=O)\C=C\c1ccc(\C=C\C(=O)O)cc1,non-mutagenic +O=C1CCc2c3CCCc3c4c(ccc5ccccc45)c12,non-mutagenic +OC[C@H]1O[C@H](C[C@H]1O)N2C=C(CO)C(=O)NC2=O,mutagenic +COc1cc(CC2NCCc3cc(O)c(O)cc23)cc(OC)c1OC,non-mutagenic +CC(C)CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@H]1C[C@H](OC(=O)C)[C@]23CO3,mutagenic +NC(CCCCNC=CC=O)C(=O)O,mutagenic +CCCCCCCC1CCC(=O)O1,non-mutagenic +N#CCc1ccccc1,non-mutagenic +Nc1cnc2c(c1)nc3ccccn23,mutagenic +ClCN1C(=O)c2ccccc2C1=O,mutagenic +CC(=O)N(O)c1ccc(\C=C\c2ccccc2)cc1,mutagenic +CCN(CCCl)CCCNc1c2ccccc2nc3ccccc13,mutagenic +C1Cc2cc3cccc4ccc5cc6cccc1c6c2c5c34,mutagenic +CC(=O)Nc1cccc2cccnc12,mutagenic +[O-][N+](=O)c1ccc2N(S\C(=N/C(=O)c3ccccc3)\c2c1)C(=O)c4ccccc4,mutagenic +OCc1ccccc1[N+](=O)[O-],non-mutagenic +Cc1cccc2C3OC3c4cc5ccccc5cc4c12,mutagenic +COC(=O)[C@]12O[C@@]1(C)[C@@H](OC2=O)C(C)C,mutagenic +Cc1c2ccccc2cc3c4[C@H](O)[C@H](O)C=Cc4ccc13,mutagenic +Cc1cccc(NC(=O)c2csc(c2)[N+](=O)[O-])c1,mutagenic +Cc1ccccc1OC[C@H]2CO2,mutagenic +CNC(=O)Oc1ccccc1OC(C)C,mutagenic +Cc1cc(N)ccc1c2ccc(N)cc2C,mutagenic +CC(C)C1CCC(C)CC1OC(=O)c2ccccc2N,non-mutagenic +CCC1(O)CC(OC2CC(C(O)C(C)O2)N(C)C)c3c(O)c4C(=O)c5c(O)ccc(O)c5C(=O)c4cc3C1C(=O)OC,mutagenic +CC(=C)C=C,non-mutagenic +CC(=O)N(O)c1ccc(Oc2ccc(Cl)cc2)cc1,mutagenic +CC1=CC2OC3C(O)CC(C)(C34CO4)C2(CO)C(O)C1=O,non-mutagenic +OC(=O)O,non-mutagenic +COP1(=S)OCc2ccccc2O1,mutagenic +C[C@@]12CC[C@H](C[C@@H]1O2)C=C,non-mutagenic +C[C@H](CCl)OP(=O)(O[C@H](C)CCl)O[C@H](C)CCl,non-mutagenic +CCC(C)c1cccc(c1)C(C)CC(CC)c2ccc(C[N+](C)(C)C)cc2,non-mutagenic +COC(=O)c1oc(cc1)[N+](=O)[O-],mutagenic +[O-][N+](=O)c1ccccc1SSC(=C(Cl)Cl)F,mutagenic +Nc1nccs1,mutagenic +CN(Cc1ccc(F)cc1)N=O,mutagenic +Clc1cccc(Cl)c1Cl,non-mutagenic +Oc1c(I)cc(cc1[N+](=O)[O-])C#N,non-mutagenic +OCCOc1ccccc1,non-mutagenic +CC(C)OC(=O)COc1ccc(Cl)cc1Cl,non-mutagenic +CCCCCCOC(=O)c1ccccc1,non-mutagenic +COC(=O)c1cc(Oc2ccc(Cl)cc2Cl)ccc1[N+](=O)[O-],mutagenic +Nc1cc(Cl)c(N)c(Cl)c1,mutagenic +CNC(=O)\C=C(/C)\OP(=O)(OC)OC,mutagenic +COC(=C1[C@H](C(=C(C)N=C1C)C(=O)OC\C=C\c2ccccc2)c3cccc(c3)[N+](=O)[O-])O,non-mutagenic +Oc1ccc2c(c1)c3ccc4ccc5cccc6cc2c3c4c56,mutagenic +CC1=CC(=O)c2c(O)cccc2C1=O,mutagenic +CCOC(=O)CC(=O)CCl,non-mutagenic +ClC(Cl)(Cl)C(Cl)(Cl)Cl,non-mutagenic +CCN(CCC#N)c1ccc(cc1)N=Nc2c(Cl)cc(cc2Cl)[N+](=O)[O-],mutagenic +C=CC1CC2CC1C=C2,non-mutagenic +ON(N=O)c1ccccc1,mutagenic +CNCCS(=O)(=O)O,non-mutagenic +CCOc1ccc(N)cc1,mutagenic +C(Oc1ccc2sncc2c1)[C@H]3CO3,mutagenic +CCN(CC)CCC[C@@H](C)Nc1ccnc2cc(Cl)ccc12,mutagenic +NC(=N)c1ccc2cc([nH]c2c1)C(=N)N,non-mutagenic +C[C@@H](O)c1ccccc1,non-mutagenic +CCc1cc(O)cc2c3CCO[C@@](CC)(CC(=O)O)c3[nH]c12,mutagenic +CCC1OC(CO)C(COCC2OC(COC3OC(CO)C(O)C(O)C3O)C(OC)C(O)C2O)C(O)C1O,non-mutagenic +O=C(n1ccnc1)n2ccnc2,non-mutagenic +O\N=C\C=N\O,non-mutagenic +Nc1nc2cc(Cl)ccc2[nH]1,non-mutagenic +CN1CCCN(C)C1=O,non-mutagenic +BrCc1ccc2cccc3c4ccccc4c1c23,mutagenic +[O-][N+](=O)c1ccc2N(S\C(=N/C(=O)c3ccc(Cl)cc3)\c2c1)C(=O)c4ccc(Cl)cc4,mutagenic +Cc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])N=[N+]([O-])c2cc(c(C)c(c2)[N+](=O)[O-])[N+](=O)[O-],mutagenic +CC(N(CC1(O)CCC(O)C(O)C1O)N=O)C(=O)O,non-mutagenic +CCOCCOCCO,non-mutagenic +O=Nc1ccc(Nc2ccccc2)cc1,mutagenic +[O-][N+](=O)c1ccccc1\C=C\C=O,mutagenic +COc1cc2OC3OC4OC4C3c2c5OC(=O)C6=C(CCC6=O)c15,mutagenic +CC(C)CCCC(C)C1CCC2C3C=CC4(CC(O)CCC4(C)C3CCC12C)OO,mutagenic +COc1cccc2sc(N)nc12,mutagenic +Clc1cccc(Cl)n1,non-mutagenic +CC(C)CN,non-mutagenic +Cc1cccc2c1cc3ccc4cccc5ccc2c3c45,mutagenic +Cc1c(C)c(N)ccc1N,non-mutagenic +O=C1c2cccc3cccc(c4ccc5ccccc5c14)c23,non-mutagenic +COc1ccc2cc3c4cc5OCOc5cc4CC[n+]3cc2c1OC,non-mutagenic +CC(=O)Nc1ccc2c(Cc3cccc(O)c23)c1,mutagenic +Cc1cc(Cl)ccc1OCC(=O)O,non-mutagenic +[O-][N+](=O)c1cccc2c1ccc3ccccc23,mutagenic +ClCC(Cl)CCl,mutagenic +OC1C=Cc2c(ccc3c4CCC(=O)c4ccc23)C1O,mutagenic +CC(CCC(=O)O)C1CCC2C3C(CCC12C)C4(C)CCC(O)CC4CC3=O,non-mutagenic +Nc1ccc(cc1)c2ccc(N)cc2[N+](=O)[O-],mutagenic +COC(=O)C1CSC2N1C(=O)C(=C2Cl)Cl,mutagenic +CC1OC(CC(N)C1O)OC2CC(O)(Cc3c(O)c4C(=O)c5ccccc5C(=O)c4c(O)c23)C(=O)C,mutagenic +COc1cc(F)ccc1[N+](=O)[O-],mutagenic +OCc1oc(cc1)c2[nH]ccc3c4ccccc4nc23,mutagenic +Cn1c2ccccc2c3nn[n+]([O-])c(C(=O)OCCCl)c13,mutagenic +Cc1ccc2cc3c(ccc4ccccc34)c5C(Cc1c25)OS(=O)(=O)O,mutagenic +CCC(=O)OCc1cccc(c1)[N+](=O)[O-],non-mutagenic +Nc1ccnc2ccccc12,non-mutagenic +Cc1ccccc1c2ccc(N)c(C)c2,mutagenic +OC(=O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O,non-mutagenic +N#N=Nc1ccc(Nc2c3ccccc3nc4ccccc24)cc1,mutagenic +Oc1cccc2cc3c4ccccc4c5ccccc5c3cc12,mutagenic +Oc1c(N=Nc2ccc(c3ccccc23)S(=O)(=O)O)c4ccc(cc4cc1S(=O)(=O)O)S(=O)(=O)O,non-mutagenic +COc1ccc(C(=O)c2ccccc2O)c(O)c1,mutagenic +CCc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C,non-mutagenic +Cn1c(N)nc2nc3cnccc3cc12,mutagenic +OC(=O)C1OC1C(=O)O,non-mutagenic +S=C1NCCN1,mutagenic +Cc1cccc(NO)c1C,mutagenic +Oc1cc(Cl)c(Cl)cc1Cl,non-mutagenic +OC1=c2c(O)cc3cccc4ccc(c2c34)C56CCCCC15O6,mutagenic +O[C@H]1C=C2c3cc4ccccc4cc3c5cccc([C@@H]1O)c25,mutagenic +COc1cc(O)c2C(=O)c3c(O)cc(C)cc3C(=O)c2c1,mutagenic +CC(=CCOc1c2OC(=O)C=Cc2cc3ccoc13)C,mutagenic +Nc1ccccc1C(F)(F)F,non-mutagenic +Oc1ccc2c(c1)c3cccc4c(ccc2c34)[N+](=O)[O-],mutagenic +Oc1cc2ccc3c4ccccc4c5cc6cccc1c6c2c35,non-mutagenic +[O-][N+](=O)c1oc(C=C(C#N)C#N)cc1,mutagenic +COc1cccc2c1cc(c3c(cc4OCOc4c23)C(=O)O)[N+](=O)[O-],mutagenic +ClCCC(=O)\N=C\1/SN(C(=O)CCCl)c2ccccc12,non-mutagenic +COc1cc(N)ccc1NC(=O)C,mutagenic +CC(=O)Oc1ccc(CO)cc1,non-mutagenic +OC[C@@H](O)CN=[N+]=[N-],mutagenic +Nc1ccc(Oc2ccc(N)c(Cl)c2)cc1Cl,mutagenic +O=C1N(SC2CCCCC2)C(=O)c3ccccc13,non-mutagenic +COc1ccccc1CC2CO2,mutagenic +Cc1cc2c(nc(N)n2C)c3nc(cnc13)c4ccccc4,mutagenic +COc1ccc(Nc2ccc(OC)cc2)cc1,non-mutagenic +CCCCN(C[C@H](O)CC)N=O,mutagenic +O=C\C=C\C=C\C=O,mutagenic +Cc1ccc2nc3c4C=CC(O)C(O)c4ccc3c(CO)c2c1,mutagenic +Cc1cccnc1,non-mutagenic +CCN(CC)CCO,non-mutagenic +[O-][N+](=O)c1ccc2ccc3ccc(N=O)c4ccc1c2c34,mutagenic +COc1c(C)c(N)c(C)cc1N,non-mutagenic +OC[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)[C@H]1SCCN1N=O,mutagenic +CCOC(=O)c1[nH]c2ccccc2c1\N=C\c3ccc(NC(=O)C)cc3,mutagenic +[O-][N+](=O)c1ccc(cc1)C(=O)\N=C\2/SN(C(=O)c3ccc(cc3)[N+](=O)[O-])c4ccc(cc24)[N+](=O)[O-],mutagenic +CCCCCc1cc(O)cc(O)c1,non-mutagenic +CC12C=CC3=C4CCC(=O)C=C4CCC3C1CCC2O,non-mutagenic +CC(=O)N(Nc1ccc2c(Cc3ccccc23)c1)c4ccc5c(Cc6ccccc56)c4,mutagenic +CC(C)(C)c1c(N)ccc2ccccc12,non-mutagenic +CNc1ccc(Nc2c3ccccc3nc4ccccc24)cc1,mutagenic +CCC(=O)C=C,mutagenic +O[C@@H]1C=Cc2c(cc3ccccc3c2[N+](=O)[O-])[C@H]1O,mutagenic +Cc1ccc2ccc3c4ccc5c(C)cccc5c4ccc3c2c1,non-mutagenic +Fc1cccnc1,non-mutagenic +OC(=O)C1Cc2c([nH]c3ccccc23)C(Cc4ccccc4O)N1,non-mutagenic +CON,non-mutagenic +Cc1ccc(C=O)cc1,non-mutagenic +OC1OC(=O)C(=C1C(Br)Br)Cl,mutagenic +[O-][N+](=O)c1ccc(cc1)[N+]#N,mutagenic +C([C@@H]1CO1)c2ccc3OCOc3c2,mutagenic +Oc1cc(O)c2C(=O)c3ccccc3C(=O)c2c1,mutagenic +CC(=O)c1ccncc1,non-mutagenic +CCN(CC)c1cc(NC(=O)C)c(cc1OC)N=Nc2ccc(cc2)[N+](=O)[O-],mutagenic +CN(C)c1ccc(cc1)N=Nc2cccc(CCl)c2,mutagenic +N1C2C1c3cccc4C5NC5c6cccc2c6c34,mutagenic +COc1cc(O)cc2c1cc(c3c(cc4OCOc4c23)C(=O)O)[N+](=O)[O-],non-mutagenic +OC[C@H]1O[C@@H](Oc2ccc(O)c3C(=O)c4ccccc4C(=O)c23)[C@H](O)[C@@H](O)[C@@H]1O,mutagenic +FC(=C)F,mutagenic +[O-][N+](=O)c1oc(\C=N\N2CC(=O)NC2=O)cc1,mutagenic +CC(=O)NNc1ccccc1,mutagenic +Nc1cccc2nc3ccccc3nc12,mutagenic +COc1ccc2nccc(C(OC(=O)C(C)O)C3CC4CCN3CC4C=C)c2c1,non-mutagenic +CCC1=C(C(=O)OC)C(=O)OC1C,mutagenic +Clc1cccc2ncccc12,mutagenic +C[C@@H](O)CN(CC(=O)C)N=O,mutagenic +CCCC(=O)Nc1ncnc2c1ncn2C3OC4COP(=O)(O)OC4C3OC(=O)CCC,non-mutagenic +O=C1c2cccc3ccc4ccc5cccc1c5c4c23,non-mutagenic +Cc1cccc(N)c1,non-mutagenic +OCCN(CCO)c1ccc(cc1)N=Nc2ccc(cc2[N+](=O)[O-])[N+](=O)[O-],mutagenic +O=NN1CCC(=O)NC1=O,mutagenic +O=C1c2ccccc2c3c1ccc4ccc5ccccc5c34,non-mutagenic +FC(F)(F)C(F)(F)C(F)(F)C(F)(F)I,non-mutagenic +CCCCN(CC[C@@H](C)O)N=O,mutagenic +Cc1ccc2cc3ccccc3cc2c1,mutagenic +CC(\C=C\C(O)C1CC1)C2CCC3\C(=C\C=C\4/CC(O)CC(O)C4=C)\CCCC23C,non-mutagenic +CC(=O)c1cccc(c1)[N+](=O)[O-],mutagenic +C[Si](Cl)(Cl)C=C,mutagenic +CC(C)[C@@]12C[C@@H]1[C@H](C)C(=O)C2,non-mutagenic +Cc1c2ccccc2c(CO)c3ccccc13,mutagenic +C1Cc2cc3ccc4cccc5ccc(c2[C@@H]6O[C@H]16)c3c45,mutagenic +Cc1cccc2cc3ccccc3cc12,non-mutagenic +[O-][N+](=O)c1ccccc1CBr,non-mutagenic +OCC(O)C(N=N#N)c1ccccc1,mutagenic +CCOCC,non-mutagenic +[O-][N+](=O)c1cccc(\C=C\C(=O)c2ccccc2)c1,non-mutagenic +Nc1c2ncn(Cc3ccccc3)c2nc[n+]1[O-],mutagenic +Cc1ccccc1C(=O)Cl,mutagenic +OS(=O)(=O)Oc1c2ccccc2c3ccc4cccc5ccc1c3c45,non-mutagenic +CCOc1ccc2nc3cc(N)ccc3c(N)c2c1,mutagenic +CCCON(OC(=O)C)C(=O)c1ccccc1,mutagenic +OC1C2(Cl)C3(Cl)C4(Cl)C(Cl)(Cl)C5(Cl)C(Cl)(C1(Cl)C35Cl)C24Cl,non-mutagenic +CC(=O)c1ccccc1,non-mutagenic +CC1=CCCc2c1cc(C)c3c2ccc4ccccc34,mutagenic +CCCCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O)C(CC(C)CC(O)CCCCC(O)CC(O)C(C)N)OC(=O)CC(CC(=O)O)C(=O)O,non-mutagenic +CCCOc1cc(c(OC)cc1N\N=C(/C(=O)C)\C(=O)Nc2ccc(cc2)[N+](=O)[O-])c3cc(OCCC)c(N\N=C(/C(=O)C)\C(=O)Nc4ccc(cc4)[N+](=O)[O-])cc3OC,mutagenic +COc1ccc(CCC2CO2)cc1,mutagenic +[O-][N+](=O)c1ccc2C(=O)NSc2c1,mutagenic +N[C@H](Cc1ccc(O)c(O)c1)C(=O)O,mutagenic +Oc1nsc2ccccc12,non-mutagenic +O=C1Oc2c(C=C1)ccc3occc23,non-mutagenic +COc1ccc(cc1)C2=COc3cc(O)cc(O)c3C2=O,non-mutagenic +CC(=O)N(O)c1ccc(Cl)cc1,non-mutagenic +OCC(O)C1CO1,mutagenic +Oc1ccc(O)cc1,non-mutagenic +CCN=NO,mutagenic +CNC(=O)CC(N)C(=O)NC(C(=O)NC1C2SC(C)(C)C(N2C1=O)C(=O)O)c3ccc(O)cc3,non-mutagenic +O1C2C1C3N=NC2C4OC34,non-mutagenic +CC(=O)ON(C(=O)C)c1ccc(cc1)c2ccccc2,mutagenic +Fc1ccc(cc1)C2OC2C(=O)c3ccccc3,non-mutagenic +CC(=O)Nc1ccccc1,non-mutagenic +CCCCN(CCO)CCCC,non-mutagenic +Cc1ccc2nsc(N)c2c1,mutagenic +Cn1c(N)nc2ccc3ncccc3c12,mutagenic +OC1=C(Oc2cc(O)cc(O)c2C1=O)c3ccc(O)cc3,mutagenic +Oc1cccc2OC(=O)C(=Cc12)[C@@H]3CCc4ccccc4C3,non-mutagenic +COc1c2C=CC(=O)Oc2cc3occc13,mutagenic +Oc1ccc2c(c1)cc3ccc4cccc5ccc2c3c45,mutagenic +CC(C)Sc1cc(Cc2ccc(N)c(SC(C)C)c2)ccc1N,mutagenic +BrC(Br)Br,mutagenic +OC(=O)c1ccccc1O,non-mutagenic +CNC(=O)N(C)N=O,mutagenic +OC(=O)C(Cc1cc(O)nc2ccccc12)NC(=O)c3ccc(Cl)cc3,non-mutagenic +Cc1[nH]cnc1CSCCN=C(NCC#C)NC#N,non-mutagenic +CC(C)(COC[C@H]1CO1)COC[C@H]2CO2,mutagenic +N=C(Nc1ccccc1)Nc2ccccc2,mutagenic +CCOC(=O)CC(C)O,non-mutagenic +CCCCOc1ccc2nc3cc(Cl)ccc3c(NCCCN(CC)CCCl)c2n1,mutagenic +CC1(CC(O)C2(C)C(CCC3C4(C)CCCC23OC4=O)C1)C=C,non-mutagenic +Cn1c(nc2ncc(cc12)c3ccccc3)[N+](=O)[O-],mutagenic +Oc1ccc(O)c2C(=O)C=CC(=O)c12,mutagenic +CC(C)CC(=O)\N=C\1/SN(C(=O)CC(C)C)c2ccc(cc12)[N+](=O)[O-],mutagenic +C[C@@H]1C[C@H]2OC(=O)[C@]3(C)[C@H]2[C@@H](O[C@]3(C)O)[C@]4(C)[C@H]1C=CC4=O,non-mutagenic +COc1ccc2Oc3cc(OC)cc(O)c3C(=O)c2c1,mutagenic +[O-][N+](=O)c1ccc2c(c1)sc3ccccc23,mutagenic +C1O[C@H]1[C@H]2CO2,mutagenic +C1O[C@@H]1c2cc3ccccc3c4ccccc24,mutagenic +CCC(=O)N(C1CCCC1N(C)C)c2ccc(Cl)c(Cl)c2,non-mutagenic +Cc1cc(C(O)c2ncc([N+](=O)[O-])n2C)c(O)c(c1)C(C)(C)C,non-mutagenic +COc1cc(O)c2C(=O)c3cc(O)ccc3Oc2c1,mutagenic +CCCCCCCC\C=C\CCCCCCCC(=O)O,non-mutagenic +CN(C)C(=S)SNCCNSC(=S)N(C)C,mutagenic +CCOC(=O)C1C(C=C(C)C)C1(C)C,non-mutagenic +Nc1ccc2N=C3C(=CC(=N)c4ccccc34)Oc2c1,mutagenic +CN1C=CN(CCC[n+]2ccc(cc2)C(=O)N)C1\C=N\O,non-mutagenic +Nc1ccc2C(=O)NSc2c1,non-mutagenic +CNC(=O)c1cccc(NCC(=O)NCCc2ccc(OC)c(OC)c2)c1,non-mutagenic +OCC#N,non-mutagenic +Nc1ccc(Oc2ccc(N)c(N)c2)cc1,mutagenic +OC(=O)[C@@H]1CSCN1,non-mutagenic +Cc1cnc2ccccc2n1,non-mutagenic +CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C2)(C(=O)OC)c5cc6c(cc5OC)N(C=O)C7C(O)(C(OC(=O)C)C8(CC)C=CCN9CCC67C89)C(=O)OC)C1,non-mutagenic +Cc1ccc2c(CO)c3ccc4ccccc4c3nc2c1,non-mutagenic +COc1cc(O)c2C(=O)C(=C(Oc2c1)c3ccc(O)c(O)c3)O,mutagenic +Cc1cc2[nH]c3cc(C)c4ccccc4c3c2c5ccccc15,mutagenic +C=CCCC1CO1,mutagenic +COc1cc2C(=O)CCc2c3ccc4ccccc4c13,mutagenic +OCC1CCCO1,non-mutagenic +CN(C)c1ccc(cc1)N=Nc2ccc(OC3OC(CO)C(O)C(O)C3O)cc2,non-mutagenic +CCN(CC)[N+](=NO)[O-],mutagenic +Cc1ccc2C(=O)c3cccc4ccc1c2c34,mutagenic +CCc1ccc(NC(=O)c2csc(c2)[N+](=O)[O-])cc1,mutagenic +CCOP(=O)(NC(C)C)Oc1ccccc1C(=O)OC(C)C,mutagenic +CC(=O)OC1C2OC(=O)C(OC(=O)C)C2OC1=O,non-mutagenic +CC12OOC1(CO)Oc3ccccc23,non-mutagenic +ClC1=C(Cl)C(=O)NC1=O,mutagenic +Oc1ccc(CC=C)cc1,non-mutagenic +CCOC(=O)C=C,non-mutagenic +ClC[C@H](Br)CBr,mutagenic +CCN(CC)C(=O)Cc1ccccc1,non-mutagenic +NC(=O)c1ccccc1C(=O)N,non-mutagenic +OCCO,non-mutagenic +Cc1cn2c(N=O)c(nc2s1)c3ccc(cc3)[N+](=O)[O-],mutagenic +CC(=O)c1c(cc([N+](=O)[O-])n1[N+](=O)[O-])[N+](=O)[O-],mutagenic +Fc1ccc2cccnc2c1F,mutagenic +Nc1snc2ccc(Cl)cc12,mutagenic +Oc1cccc2c3cc4ccccc4cc3c5ccccc5c12,mutagenic +O=C1NC=NC(=O)N1,non-mutagenic +[O-][N+](=O)c1ccccc1\C=C\C=C(/C#N)\c2ccc(Br)cc2,mutagenic +Cc1cccc(c1)C(=O)O,non-mutagenic +COc1cc(OC)c(\C=C\C)cc1OC,mutagenic +NN1C(=O)c2ccccc2C1=O,non-mutagenic +Nc1cc2nc3ccccc3nc2cc1N,mutagenic +CC(C)CCNc1snc2ccccc12,non-mutagenic +Cc1ccc2cc3c4ccccc4C5OC5c3c6CCc1c26,mutagenic +Cc1ccc(cc1N)C(=O)O,mutagenic +COc1ccc2C(=O)c3nccc4cc(OC)c(OC)c(c2c1)c34,non-mutagenic +CCCCN(C[C@H](O)CCO)N=O,mutagenic +Cc1c(N)cccc1N=[N+]([O-])c2cccc(N)c2C,mutagenic +CC(=O)O[C@@H]1[C@]2(C)C[C@]2(C=O)C(=C3CC(C)(C)C[C@]13O)C=O,mutagenic +c1ccc2c(c1)ccc3cc4c(ccc5ccncc45)cc23,mutagenic +COc1ccc(N)c(C)c1,mutagenic +[O-][N+](=O)C1c2ccccc2C(=O)c3ccccc13,non-mutagenic +OC1C2OC2c3c(cc4ccc5cccc6ccc3c4c56)C1O,mutagenic +Cc1ncc[nH]1,non-mutagenic +Clc1cnc(Oc2ccc(Oc3ncc(Cl)cc3Cl)cc2)c(Cl)c1,non-mutagenic +CCCCCN(CCCCC)N=O,mutagenic +[O-][N+](=O)c1ccc2ccc3c(ccc4ccc1c2c34)[N+](=O)[O-],mutagenic +CC(C)CC(=O)OC1CC2(COC(=O)C)C(OC3C(O)C(OC(=O)C)C2(C)C34CO4)C=C1C,mutagenic +CCCCCCCCCCCCCl,non-mutagenic +Cn1c(CC(=O)OCCCl)c(C(=O)O)c2ccccc12,mutagenic +[O-][N+](=O)c1ccc(cc1)S(=O)(=O)Nc2ccccn2,non-mutagenic +[O-][N+](=O)c1ccc2NCCc2c1,mutagenic +Oc1ccc(c2C(=O)c3c(C(=O)c12)c(O)ccc3[N+](=O)[O-])[N+](=O)[O-],mutagenic +Oc1c([nH]c2ccccc12)C3=Nc4ccccc4C3=O,mutagenic +Cc1c(NO)cc(cc1[N+](=O)[O-])[N+](=O)[O-],mutagenic +O=C1CCCC=C1,non-mutagenic +Cc1cccc2cc3ccc4ccccc4c3nc12,non-mutagenic +[O-][N+](=O)c1oc(\C=N\N2CCNC2=O)cc1,mutagenic +CC1CCC(CC1)NC(=O)N(CCCl)N=O,mutagenic +CC12CCC3C(CCC4=CC(=O)NCCC34C)C1CCC2OC(=O)\C=C\c5cccc(c5)N(CCCl)CCCl,non-mutagenic +COc1cc(C)cc2c(O)c(cc(O)c12)c3c(C)cc4c(O)ccc(O)c4c3OC,non-mutagenic +NC1=NC(=O)N(C=C1)C2C=C(CO)C(O)C2O,non-mutagenic +Nc1[nH]cnc2nc(nc12)c3ccc(cc3)[N+](=O)[O-],mutagenic +OC1CCC(O)(CN(N=O)C(Cc2ccccc2)C(=O)O)C(O)C1O,non-mutagenic +[O-][N+](=O)c1ccc(s1)c2csc(NC=O)n2,mutagenic +Nc1cccc2c1Cc3ccccc23,mutagenic +O=Nc1[nH]cnc1c2ccccc2,mutagenic +CN(N=O)C(=O)NC1C(O)OC(CO)C(O)C1O,mutagenic +CC1c2ccccc2c3cc(C)ccc13,mutagenic +COP(=O)(OC)N1CCOCC1,non-mutagenic +Cc1cc(O)c2c(O)c3c(O)cccc3cc2c1,mutagenic +CC(=CCC\C(=C/COC(=O)C)\C)C,non-mutagenic +CC(=O)c1ccc2[nH]c3c(C)cc(c(C)c3c2c1)[N+](=O)[O-],mutagenic +Cl\C=C(\Cl)/SCc1ccccc1,mutagenic +COC(=O)C(Cl)Cl,mutagenic +COc1cc(ccc1[N+](=O)[O-])N=Nc2ccccc2,mutagenic +CCCCNC(=O)n1c(NC(=O)OC)nc2ccccc12,non-mutagenic +COc1ccc2nc(N)sc2c1,mutagenic +NC(=O)N(CCO)N=O,mutagenic +CC1=CC(=O)Oc2cc3OC4(C)OOC4(C)c3cc12,mutagenic +[O-][N+](=O)c1ccc2c(cc3ccccc3c2c1)[N+](=O)[O-],mutagenic +COc1cc2CCN(C)C3Cc4cc5OCOc5cc4c(c1O)c23,non-mutagenic +CCCCCCCC(=O)Nc1snc2ccccc12,non-mutagenic +COc1ccc(O)c2C(=O)c3c(OC)cc4OC5OCCC5c4c3Oc12,non-mutagenic +[O-][N+](=O)c1ccc2N(S\C(=N/C(=O)c3ccccc3Cl)\c2c1)C(=O)c4ccccc4Cl,mutagenic +CC(C)(C)OO,mutagenic +ClC(=C1OC(=O)C(=C1)Cl)Cl,mutagenic +[O-][N+](=O)c1cnc(s1)N2CCCC2=O,mutagenic +Cn1c(NO)nc2ncc(cc12)c3ccccc3,mutagenic +CCCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1,non-mutagenic +Cc1cc(O)c2C(=C3C(=O)C4C(O)C5C6C(O)C(C(=O)C7=C(O)c8c(O)cc(C)c(O)c8C(=O)C467)C35C(=O)c2c1O)O,non-mutagenic +NC(=O)CNC(=O)N(CCCl)N=O,mutagenic +CC(C)(C)c1ccc(cc1)c2ccc(cc2)[N+](=O)[O-],non-mutagenic +CCCOP(=S)(OCCC)OP(=S)(OCCC)OCCC,non-mutagenic +Cc1cc(N)c(C)c2c3ccccc3[nH]c12,mutagenic +CC(COC(=O)c1ccccc1)(COC(=O)c2ccccc2)COC(=O)c3ccccc3,non-mutagenic +CC12OOC1(C)c3ccc4cccnc4c3O2,non-mutagenic +CC(C)CCOC(=O)C,non-mutagenic +CCCCCCCCCCCCCCCCCC(=O)OCC1=CC=C2C(=CC[C@H](C=C12)C(=C)C)C,mutagenic +COc1ccc2c3ccc4cc5OCOc5cc4c3N(C)C(=O)c2c1OC,mutagenic +Cc1ccc(cc1)C(=O)ON(OCc2ccccc2)C(=O)c3ccccc3,mutagenic +N#N=Nc1nc2ccccc2[nH]1,mutagenic +[O-][N+](=O)c1ccc(cc1)n2nc(n[n+]2c3ccc(I)cc3)c4ccccc4,non-mutagenic +OCc1ccc(Cl)cc1,non-mutagenic +CC(=O)OC\C=C(/C)\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C,non-mutagenic +COc1cccc2C(=O)c3c(O)c4C(CC(O)(Cc4c(O)c3C(=O)c12)C(=O)CO)OC5CC(C(O)C(C)O5)N(C)C,mutagenic +CN(C)CCCNc1c2ccccc2nc3c(ccc(c13)[N+](=O)[O-])N(CCOC(=O)C)CCOC(=O)C,mutagenic +ONc1ccc(cc1)c2ccccc2,mutagenic +OS(=O)(=O)c1ccccc1,non-mutagenic +[O-][N+](=O)c1ccc2c(c1)c(cc3cccc(c23)[N+](=O)[O-])[N+](=O)[O-],mutagenic +Cc1ccc(cc1)\C(=C\C=C\c2ccccc2[N+](=O)[O-])\C#N,mutagenic +CC(=O)c1ccc2OC3(CC3)C(=O)c2c1,non-mutagenic +CC(=O)O[C@H]1C[C@H](CC=C1C)C(=C)C,non-mutagenic +ONc1ccc(Cl)c(Cl)c1,non-mutagenic +NC(=O)NNC(=O)N,non-mutagenic +OC1CCN(CC1)N=O,mutagenic +COc1ccc2c(c1)C(=O)c3c(OC)c(OC)cc4ccnc2c34,mutagenic +Cn1c(ncc1[N+](=O)[O-])c2nnc(N)s2,mutagenic +CN[C@H]1C[C@@H](O[C@H]2C[C@](O)(Cc3c(O)c4C(=O)c5cccc(OC)c5C(=O)c4c(O)c23)C(=O)C)O[C@@H](C)[C@@H]1O,mutagenic +CCCCN(N)CCCC,non-mutagenic +Cc1c(C)c2c(Cl)c3ccccc3nc2c4ccccc14,mutagenic +Nc1ccc(N)c2C(=O)c3ccccc3C(=O)c12,mutagenic +CN1SC(=CC1=O)Cl,mutagenic +Clc1cccc(Br)c1,non-mutagenic +CC(C)c1ccccc1,non-mutagenic +NC(=O)C=C,non-mutagenic +[O-][N+](=O)c1cc(ccc1Cl)C(F)(F)F,non-mutagenic +CC1NC(Cc2c1[nH]c3ccccc23)C(=O)O,non-mutagenic +Cc1nc2ccccc2s1,non-mutagenic +O=NN1CCSC1,mutagenic +CC12OC1C3CCCCC3c4ccccc24,non-mutagenic +CCCCOc1cc2C(=O)CCc2c3ccc4ccccc4c13,non-mutagenic +OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N(N=O)c2ccc(cc2)[N+](=O)[O-],mutagenic +Cl[C@@H]1CO1,mutagenic +Nc1ccc(\C=C\c2ccc(N)cc2)cc1,mutagenic +CC(C)Nc1nc(N)nc(Cl)n1,non-mutagenic +CC[C@@H](C)COC(=O)\C=C\c1ccc(cc1)\N=C\c2ccc(OC)cc2,mutagenic +[O-][N+](=O)c1cccc2cccnc12,mutagenic +OC1C=Cc2ncccc2C1O,non-mutagenic +Cc1ccc2ncccc2c1,mutagenic +C1CCC2(CC1)CO2,non-mutagenic +C1CC[C@H]2O[C@H]2C1,mutagenic +Cc1cc(C)cc(C)c1,non-mutagenic +[O-][N+](=O)c1ccccc1Cl,mutagenic +Cc1c2ccccc2c3ccc4cccc5ccc1c3c45,mutagenic +COP(=S)(OC)SCN1N=Nc2ccccc2C1=O,mutagenic +OC(=O)CN(CC(=O)O)N=O,mutagenic +[O-][N+](=O)c1cc2ccc3cc(cc4ccc(c1)c2c34)[N+](=O)[O-],mutagenic +COC(=O)\C(=C\c1occc1)\[N+](=O)[O-],non-mutagenic +CC(=O)NNC(=O)c1ccccn1,non-mutagenic +ClC1C(=O)NC(=O)C1=C(Cl)Cl,mutagenic +Cc1cnc2ccc3c(nc(N)n3C)c2n1,mutagenic +Fc1cccc2ccc3ncccc3c12,mutagenic +CC(=O)C1(O)CC(O)c2c(O)c3C(=O)c4c(O)cccc4C(=O)c3c(O)c2C1,mutagenic +CC(C)COC(=O)C(=C)C#N,non-mutagenic +CC(=O)OCc1ccc(cc1)[N+](=O)[O-],mutagenic +CC(=O)O[C@H]1[C@H](O)[C@@H]2O[C@H]3C=C(C)C(=O)[C@H](O)[C@@]3(CO)[C@@]1(C)[C@@]24CO4,non-mutagenic +O=C(Nc1ccccc1)C2CO2,mutagenic +CC1=CC[C@H]2[C@H](C1)[C@H](CC=C2C)C(C)(C)C,non-mutagenic +COC(=O)[C@]12O[C@@]1(C)[C@@](C)(O)NC2=O,mutagenic +[O-][N+](=O)c1ccc2c3cccc4cccc(c5cccc1c25)c34,mutagenic +Cn1cnc(c1Sc2[nH]cnc3ncnc23)[N+](=O)[O-],mutagenic +CCc1cccc(CC)c1NC(=O)C,non-mutagenic +NC1=NC(=O)N(C=C1)[C@H]2O[C@@H](COP(=O)(O)O)[C@H](O)[C@H]2O,non-mutagenic +[O-][N+](=O)c1[nH]cnc1c2ccccc2,mutagenic +CCCC(=O)OCCC(C)C,non-mutagenic +CN(C)c1ccc(cc1)N=Nc2ccccc2C(=O)O,mutagenic +OS(=O)(=O)c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],non-mutagenic +CCOCN1C=C(F)C(=O)N(C(=O)c2cccc(c2)C(=O)Oc3nc(OC(=O)c4ccccc4)ccc3C#N)C1=O,non-mutagenic +ClC(=C(Cl)C=O)Cl,mutagenic +NC(=O)N\N=C\C(=O)O,non-mutagenic +Fc1cnc2ccc3ccccc3c2c1,mutagenic +OC(=O)c1ccc(Cl)cc1Cl,non-mutagenic +CC(=O)Nc1ccc2c(Cc3cc(NC(=O)C)ccc23)c1,mutagenic +CN(C)c1ccc(cc1)C2CC3(C)C(CCC3(O)\C=C\CO)C4CCC5=CC(=O)CCC5=C24,non-mutagenic +Cc1cnc2cc(C)c3c(nc(N)n3C)c2n1,mutagenic +CC(C)CC(NC(=O)COc1ccc(Cl)cc1Cl)C(=O)O,non-mutagenic +Cc1ccc(O)c(N)c1,mutagenic +ClCC1=CC(=O)OC1,mutagenic +Nc1ccc(cc1)c2cc(Cl)c(N)c(Cl)c2,mutagenic +COC1(CCC(C)COC2OC(CO)C(O)C(O)C2O)OC3CC4C5CC=C6CC(CCC6(C)C5CCC4(C)C3C1C)OC7OC(CO)C(O)C(OC8OC(CO)C(O)C(O)C8O)C7OC9OC(C)C(O)C(O)C9O,non-mutagenic +COc1cc(N=Nc2ccc(N)cc2)c(C)cc1N=Nc3c(O)c4cc(N)ccc4cc3S(=O)(=O)O,mutagenic +CCOC(=O)N(CCOC(=O)C)N=O,mutagenic +Nc1c(Cl)cc(cc1[N+](=O)[O-])[N+](=O)[O-],mutagenic +Cc1cc2cc3ccccc3c4ccc5cccc1c5c24,mutagenic +CCOc1ccccc1N,non-mutagenic +CCOP(=O)(OCC)O\C(=C/Br)\c1ccc(Cl)cc1Cl,non-mutagenic +O=C1NCCN1c2nccs2,mutagenic +CC1CCC2(OC1)OC3CC4C5CC=C6CC(CCC6(C)C5CCC4(C)C3C2C)OC7OC(CO)C(O)C(OC8OC(CO)C(O)C(O)C8O)C7OC9OC(C)C(O)C(O)C9O,non-mutagenic +OC1C(O)c2c(Cl)c3ccccc3cc2c4ccccc14,non-mutagenic +Oc1cc2cccc3ccc4ccc(c1c4c23)[N+](=O)[O-],mutagenic +[O-][N+](=O)c1ccc(\C=N\c2snc3c(Cl)cc(Cl)cc23)cc1,mutagenic +OCc1c(cccc1[N+](=O)[O-])[N+](=O)[O-],non-mutagenic +N#CC(=C(C#N)C#N)C#N,non-mutagenic +CCN1C=C(C(=O)O)C(=O)c2cc(F)c(N3CCNC(C)C3)c(F)c12,mutagenic +C\C\1=C\CCC(=C)[C@@H]2CC(C)(C)[C@@H]2CC1,non-mutagenic +OC1C(O)c2c3ccccc3cc4ccc5cccc1c5c24,mutagenic +CCOP(=S)(OCC)OCCSCC,mutagenic +Nc1ccc(N=Nc2cccc(c2)N=Nc3ccc(N)cc3N)c(N)c1,mutagenic +CC(=O)C(Cl)(Cl)Cl,mutagenic +Cc1cc(O)c(cc1Sc2cc(c(O)cc2C)C(C)(C)C)C(C)(C)C,non-mutagenic +NC1c2ccccc2c3ccccc13,non-mutagenic +Cc1c[nH]cn1,non-mutagenic +CCCC[C@@H](CC)CN,non-mutagenic +C([C@H]1CO1)c2ccc(Cc3ccccc3)cc2,mutagenic +NS(=O)(=O)c1cc2c(NC=NS2(=O)=O)cc1Cl,non-mutagenic +O1[C@@H]2[C@H]1c3c(c4ccccc24)c5ccccc5c6ccccc36,mutagenic +CC1(C)[C@@H]2CC[C@@H](C2)C1=C,non-mutagenic +CC(C)[C@@H]1CC[C@@H](C)CC1=O,mutagenic +CC(=O)Nc1ccc2cccnc2c1,mutagenic +O[C@@H]1Cc2cc3cccc4ccc5ccc1c2c5c34,mutagenic +CC(C)CC[C@@H](C)Nc1ccc(N[C@H](C)CCC(C)C)cc1,non-mutagenic +CC(=O)Nc1snc2ccc(Cl)cc12,mutagenic +OC(=O)c1cc(Cl)cc(Cl)c1,non-mutagenic +ClC(=C)C=C,non-mutagenic +Cc1ccc(cc1)S(=O)(=O)OCC2CO2,mutagenic +C\C(=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\C2=C(C)C(=O)CCC2(C)C,non-mutagenic +Cc1ccc(cc1[N+](=O)[O-])N=[N+]([O-])c2ccc(C)c(c2)[N+](=O)[O-],non-mutagenic +Nc1ccc(cc1)c2ccc(cc2)c3ccc(cc3)c4ccc(N)cc4,non-mutagenic +CS(=O)(=O)OCCCNCCCOS(=O)(=O)C,mutagenic +COc1nsc2ccc(cc12)[N+](=O)[O-],mutagenic +C=CC=C,mutagenic +Cc1ccc(c(c1)[N+](=O)[O-])[N+](=O)[O-],mutagenic +CC(=O)CC(C)(C)NC(=O)C=C,non-mutagenic +CCOP(=S)(OCC)SCN1C(=O)Oc2cc(Cl)ccc12,non-mutagenic +CCOP(=O)(C)SCCN(C(C)C)C(C)C,non-mutagenic +COc1cc(CNC(=O)C(C)Br)ccc1O,mutagenic +CN1CSC(=S)N(C)C1,mutagenic +Cc1c(cccc1[N+](=O)[O-])N=[N+]([O-])c2cccc(c2C)[N+](=O)[O-],non-mutagenic +OC(c1ccc(Cl)cc1)(c2ccc(Cl)cc2)C(Cl)(Cl)Cl,non-mutagenic +C=CCN(CC=C)N=O,mutagenic +OCc1ccc(F)cc1,non-mutagenic +COc1cc(Cl)c(OC)cc1Cl,mutagenic +CN(C)CCN(C)C,non-mutagenic +Oc1c(Br)cc(cc1Br)C2(OS(=O)(=O)c3c(Br)c(Br)c(Br)c(Br)c23)c4cc(Br)c(O)c(Br)c4,non-mutagenic +NCC(=O)Nc1ccccc1,mutagenic +O[C@H]1C=Cc2c(ccc3c4C=Cc5cccc(cc23)c45)[C@@H]1O,mutagenic +N#Cc1cccc(c1)C#N,non-mutagenic +O(c1ccccc1)c2ccccc2,non-mutagenic +[O-][N+](=O)c1ccc2[nH]ccc2c1,mutagenic +CC(C)CC(NC(=O)COc1cc(Cl)c(Cl)cc1Cl)C(=O)O,non-mutagenic +Nc1ccc(cc1)c2ccc(N)c(c2)[N+](=O)[O-],mutagenic +Cc1c(cccc1N=C=O)N=C=O,mutagenic +OCc1ccc2ccc3cccc4ccc1c2c34,mutagenic +ClCc1cccc2cc3ccc4cccc5ccc(c12)c3c45,mutagenic +c1ccc2cc3c(ccc4ccccc34)cc2c1,mutagenic +[O-][N+](=O)c1cccc2c(cc3ccccc3c12)[N+](=O)[O-],mutagenic +OCCNc1ccc(cc1)N=Nc2ccc(cc2)N(CCO)CCO,non-mutagenic +Cc1ccc(cc1)C(C)(C)O,non-mutagenic +Nc1nc(NO)c2ncn(C3OC(CO)C(O)C3O)c2n1,mutagenic +OS(=O)(=O)c1ccc(cc1)[N+](=O)[O-],non-mutagenic +CC(N)(Cc1ccc(O)c(O)c1)C(=O)O,non-mutagenic +ClCc1ccccn1,mutagenic +O1C2C1c3c4c2cccc4cc5ccc6ccccc6c35,mutagenic +CC(=O)\C=C/c1ccccc1,mutagenic +CCc1ccccc1NC(=O)c2csc(c2)[N+](=O)[O-],mutagenic +Clc1cccc(n1)C(Cl)(Cl)Cl,mutagenic +NC(=N)NC#N,mutagenic +CN(C)CCO,non-mutagenic +CCCCCOc1ccc(cc1)N=O,mutagenic +Cc1ccc(NCCCl)cc1,mutagenic +Cc1ccccc1O,non-mutagenic +BrCC(Br)CCOP(=O)(OCCC(Br)CBr)OCCC(Br)CBr,non-mutagenic +COc1ccc2nc3c(cc2c1)c4cccc5cccc3c45,mutagenic +ClC(Cl)(Cl)C#N,mutagenic +Oc1cccc2C(=O)C=CC(=O)c12,mutagenic +[O-][N+](=O)c1ccc2OC(=O)c3ccccc3c2c1,mutagenic +[O-][N+](=O)c1ccc2c(c1)nc(\C=N\OCc3ccccc3[N+](=O)[O-])n2Cc4ccc(Cl)cc4Cl,mutagenic +C[C@@H]1O[C@@H]1C,mutagenic +N[C@H](Cc1ccc(cc1)N(CCCl)CCCl)C(=O)O,mutagenic +C[C@@H](O)c1ccc2ccc3cccc4ccc1c2c34,mutagenic +Oc1ncc(F)c(O)n1,non-mutagenic +CCCCSCCC(N)C(=O)O,non-mutagenic +Cc1ccc2C(=O)c3ccccc3C(=O)c2c1N,mutagenic +Oc1c(cc(c2ccc(cc12)S(=O)(=O)O)[N+](=O)[O-])[N+](=O)[O-],mutagenic +CN1C(=C(O)c2sccc2S1(=O)=O)C(=O)Nc3ccccn3,non-mutagenic +CCN(CC)c1ccc2C(=C3C=CC(=[N+](CC)CC)C=C3Oc2c1)c4ccc(cc4S(=O)(=O)O)S(=O)(=O)O,mutagenic +CCC1(OC1(C(=O)N)C(=O)OC)C(C)O,non-mutagenic +Nc1ccc(cc1)S(=O)(=O)c2ccc(N)cc2,non-mutagenic +Oc1ccc2c(Cc3cc(ccc23)[N+](=O)[O-])c1,mutagenic +Nc1ccc(N=Nc2ccc(cc2)N=Nc3c(N)c4c(O)c(N=Nc5ccc(cc5)N=Nc6ccc(N)cc6N)c(cc4cc3S(=O)(=O)O)S(=O)(=O)O)c(N)c1,mutagenic +OC1C(O)c2ccc(c3ccc4cccc1c4c23)[N+](=O)[O-],mutagenic +Cc1nc2c(ccc3ccc4ccc(O)cc4c23)[nH]1,mutagenic +o1c(nc2ccccc12)c3ccccc3,non-mutagenic +CC(C)ON(OC(=O)C)C(=O)c1ccccc1,mutagenic +CC(C)c1cc(ccc1N)c2ccccc2,mutagenic +ClCc1cc2cccc3ccc4cc5ccccc5c1c4c23,mutagenic +COC1=CC(=O)c2c(nc(C)c3c4ccccc4[nH]c23)C1=O,mutagenic +Nc1cc2[nH]c3ccccc3c2cc1[N+](=O)[O-],mutagenic +CCS,non-mutagenic +FC(F)(Cl)Br,non-mutagenic +N#N=NCc1ccccc1,mutagenic +Cn1c2ccccc2c3ccccc13,mutagenic +CC\C=C/C#N,non-mutagenic +O=Nc1ccc2ccc3c4CCCCc4cc5ccc1c2c35,mutagenic +COc1cc2OC[C@@H]3Oc4c5C[C@H](Oc5ccc4C(=O)[C@H]3c2cc1OC)C(=C)C,non-mutagenic +OCc1ccc2c3cccc4cccc(c2c1)c34,mutagenic +COC(=O)CCCC(=O)OC,non-mutagenic +NC(=N)c1ccccc1,non-mutagenic +CN(C)c1ccc2c(ccc(\C=C\c3cc(C)n(c3C)c4ccccc4)[n+]2C)c1,mutagenic +BrN1C(=O)CCC1=O,mutagenic +CN1c2ccc3OCCOCCOCCOCCOCCOCCOc4ccc1c(c4)C(=S)c2c3,non-mutagenic +CNC(=O)NO,non-mutagenic +Cc1ccc(c(c1)C(=O)O)[N+](=O)[O-],mutagenic +[O-][N+](=O)c1ccc(O[C@H]2CO2)cc1,mutagenic +NCCS(=O)(=O)O,non-mutagenic +Nc1ccccc1S(=O)(=O)O,mutagenic +[O-][n+]1cc2ncccc2cn1,non-mutagenic +Cc1ccc2c(c1)c3cc4ccccc4c5cc6ccccc6c2c35,mutagenic +Cc1ccc2c(ccc3cc4ccccc4cc23)c1,mutagenic +CN(C)N,mutagenic +C1c2ccccc2c3c1ccc4ccc5ccccc5c34,non-mutagenic +c1ccc2cnccc2c1,non-mutagenic +[O-][N+](=O)c1nccn1CC(=O)NCc2ccccc2,mutagenic +CCCCCCCCC1OC1CCCCCCCC(=O)OCC(CC)CCCC,non-mutagenic +Nc1cccc(c1)S(=O)(=O)O,non-mutagenic +[O-][N+](=O)c1ccc2C=CCc2c1,mutagenic +OC(=O)CCN=N#N,mutagenic +Oc1ccc2ccccc2c1N=Nc3ccc(c4ccc(cc4S(=O)(=O)O)N=Nc5c(O)ccc6ccccc56)c(c3)S(=O)(=O)O,non-mutagenic +OC1C(O)c2c(ccc3c2ccc4ccccc34)C5OC15,mutagenic +CC(C)(C)NCC(O)COc1ccc(O)cc1C2CCCC2,non-mutagenic +CCCCC(S)(CCC)CCCC,non-mutagenic +FC(F)(F)c1ccccc1,non-mutagenic +Nc1ccccc1C(=O)OC2CCCCC2,non-mutagenic +Cn1c(N=N#N)nc2ccc3ccccc3c12,mutagenic +CC1(C)CC(N)CC(C)(C)N1O,mutagenic +ON1C(=O)CCC1=O,non-mutagenic +CCOC(=O)CC(=O)C,non-mutagenic +CC(=O)ON(OCc1ccccc1)C(=O)c2ccccc2,mutagenic +COc1ccc([C@H](OC(=O)C)C=C)c2ccccc12,mutagenic +C1C=Cc2c1ccc3ccc4ccccc4c23,mutagenic +Oc1ccc(cc1[N+](=O)[O-])c2cccc(c2O)[N+](=O)[O-],non-mutagenic +Nc1ccc(cc1)c2ccccc2,mutagenic +CCc1c2C3OC3c4ccccc4c2cc5ccccc15,mutagenic +OC(CN=N#N)c1ccccc1,mutagenic +CC(C)Br,mutagenic +[O-][N+](=O)c1ccc(SC#N)c(c1)[N+](=O)[O-],mutagenic +Cc1ncc([N+](=O)[O-])n1CCO,mutagenic +NC(CCC(=O)N(CC(=O)O)C(=O)C(N)CSN=O)C(=O)O,mutagenic +NC(=O)N(c1ccccc1)c2ccccc2,non-mutagenic +ONc1cccc2ccccc12,mutagenic +OC1C2OC2c3c(ccc4nc5ccc6ccccc6c5cc34)C1O,mutagenic +C=CC(=O)OC[C@H]1CO1,mutagenic +O=Nc1ccc2ccc3cc4ccccc4c5ccc1c2c35,mutagenic +CCCCCCc1ccc(cc1)c2ccc(cc2)C#N,non-mutagenic +OC(=O)C1CSC(N1C(=O)CCS)c2ccccc2O,non-mutagenic +CC1=CC(C)(C)Nc2ccccc12,non-mutagenic +CCCCCCCCCCCCCC(=O)O,non-mutagenic +C[C@@H]1OCCc2cc3c(cc12)C(C)(C)[C@@H](C)C3(C)C,non-mutagenic +CN(N=O)C(=O)c1ccccc1,mutagenic +CC[C@]1(O)C[C@H](O[C@@H]2C[C@H](N)[C@@H](O)[C@H](C)O2)c3c(O)c4C(=O)c5c(O)ccc(O)c5C(=O)c4cc3[C@H]1C(=O)OC,mutagenic +CCN1C=C(C(=O)O)C(=O)c2cc(F)c(c(F)c12)c3ccc(O)cc3,mutagenic +NC(=O)N(c1ccccc1)c2ccc(cc2)C(=O)O,mutagenic +OCCN(CCO)c1ccc(N=Nc2c(Cl)cc(cc2Cl)[N+](=O)[O-])c(Cl)c1,mutagenic +COc1ccc2C(=O)c3c(OC)c(OC)cc4ccnc(c2c1)c34,mutagenic +Cc1cccc2c1ccc3c4ccccc4ccc23,mutagenic +Cc1cnc2c(n1)c(C)cc3c2nc(N)n3C,mutagenic +Oc1cccc2ncccc12,mutagenic +Oc1cc2cccc3ccc4c5ccccc5cc1c4c23,mutagenic +CN(C)CCNC(=O)c1cccc2cc(oc12)c3ccccc3,mutagenic +[O-][N+](=O)c1ccc2OC(=O)c3cccc4ccc1c2c34,mutagenic +CC(=C)c1ccc(C)c2ccc(CO)c2c1,mutagenic +CC(C)[C@@H]1CC[C@@H](C)CC1,non-mutagenic +O=C1C(=O)c2ccccc2c3ccccc13,non-mutagenic +CC(=O)Nc1ccc2C(=O)C(=O)c3cccc4ccc1c2c34,mutagenic +CC(C)(C)c1cc(ccc1NO)c2ccccc2,mutagenic +O\N=C\c1ccccn1,non-mutagenic +CC(=O)OCN(CCCCCl)N=O,mutagenic +COc1cc2O[C@H]3OC=C[C@H]3c2c4OC(=O)C5=C([C@@H](O)C[C@@H]5O)c14,mutagenic +CNC(=O)Oc1cccc2ccccc12,mutagenic +Cc1cc(N)cc(c1N)[N+](=O)[O-],mutagenic +ClCc1ccc2ccc3cc4ccccc4c5ccc1c2c35,non-mutagenic +CC(=O)Nc1nc(NC(=O)C)nc(n1)c2oc(cc2)[N+](=O)[O-],mutagenic +BrC(Br)C(Br)Br,non-mutagenic +Nc1cccc2c1ccc3ccccc23,mutagenic +CN1CCN(CC1)c2cc3N(C4CC4)C5=CC(=O)NC(=O)N5c3cc2F,mutagenic +Cc1ccccc1,non-mutagenic +COc1nncc2ncccc12,non-mutagenic +N[C@@H](CCC(=O)NNc1ccc(CO)cc1)C(=O)O,mutagenic +[O-][N+](=O)c1c2C=CCCc2c3ccc4cccc5ccc1c3c45,mutagenic +COC(=O)\C=C\C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C(=O)OC)/C)\C,mutagenic +Cn1cnc(c2ccccc2)c1N=O,mutagenic +c1ccc2c(c1)ccc3c4cccnc4ccc23,mutagenic +O=C1CC2SCC=CN12,non-mutagenic +CSCCC=O,non-mutagenic +CC(=O)N(CC(O)CN(C(=O)C)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I)c2c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c2I,non-mutagenic +Oc1cc2[nH]c3ccccc3c2cc1[N+](=O)[O-],mutagenic +COC(=O)\C(=C\c1oc(cc1)[N+](=O)[O-])\C,mutagenic +COc1cccc2C(=O)c3ccccc3C(=O)c12,mutagenic +CN(C)c1ccc(cc1)C(c2ccccc2)c3ccc(cc3)N(C)C,non-mutagenic +CCCCCCNCCCCCC,non-mutagenic +C[C@]12CC[C@H](C1)C(C)(C)C2=O,non-mutagenic +ClC(=C)C=O,mutagenic +[O-][N+](=O)c1c2ccccc2cc3ccccc13,mutagenic +CC(C)CCCCCOC(=O)Cc1cc(Cl)c(Cl)cc1Cl,non-mutagenic +N#CC1=C(SCCS1)C#N,non-mutagenic +BrCC(Br)C=O,mutagenic +Nc1ccc(cc1O)[N+](=O)[O-],mutagenic +Cc1oc(C=O)cc1,non-mutagenic +CN(C=O)N=O,mutagenic +OCC(O)C(O)CO,non-mutagenic +N(N=Nc1ccccc1)c2ccccc2,mutagenic +Clc1ccc(Cl)nc1,non-mutagenic +CC1(C)C=C(C(=O)O)C(C)(C)N1O,non-mutagenic +CC(C)CN(N)CC(C)C,mutagenic +Cc1cc(C)c2cc(C)c(N)cc2n1,mutagenic +Clc1cc(Cl)cc(c1)N2C(=O)N3C[C@H](C[C@@]3(Cc4ccc(cc4)C#N)C2=O)N=[N+]=[N-],mutagenic +Cc1ccc(C)c(c1)[N+](=O)[O-],mutagenic +O=C1C=CC(=O)C(=C1)c2ccccc2,non-mutagenic +CC(=O)ON(OCc1ccc(cc1)C(C)(C)C)C(=O)c2ccccc2,mutagenic +CC(=O)Nc1nc(cs1)c2cc(cs2)[N+](=O)[O-],mutagenic +CCCN(CCC)c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-],mutagenic +OC(=O)c1occc1,non-mutagenic +CC(=O)OO[N+](=O)[O-],mutagenic +Cc1ccccc1N=Nc2c(O)ccc3ccccc23,mutagenic +O[C@H]([C@H](COC(=O)CCC(=O)O)NC(=O)C(Cl)Cl)c1ccc(cc1)[N+](=O)[O-],non-mutagenic +CCOC(=O)CC(C)C,non-mutagenic +COc1nsc2ccc(N)cc12,mutagenic +CN(N=O)C(=N)N[N+](=O)[O-],mutagenic +[O-][N+](=O)c1ccc(cc1)[C@@H]2O[C@H]2C(=O)c3ccccc3,non-mutagenic +O[C@H]1[C@H](O)c2cc3ccc4ccccc4c3cc2[C@@H]5O[C@H]15,mutagenic +Cc1c2C3OC3c4ccccc4c2nc5ccc(CO)cc15,non-mutagenic +Fc1cccc2cc3c(cc12)c4cccc5cccc3c45,mutagenic +Fc1ccc2c3cc4ccccc4cc3c5cccc1c25,mutagenic +BrC[C@@H](Br)COC(=O)C=C,mutagenic +CN(C)c1ccc(cc1)N=Nc2ccc(NC(=O)C)cc2,mutagenic +Oc1ccccc1Cl,non-mutagenic +Nc1cc2ccccc2c3ccccc13,mutagenic +[O-][N+](=O)c1cccc2c1c(cc3cccc(c23)[N+](=O)[O-])[N+](=O)[O-],mutagenic +OCCN(CCO)N=O,mutagenic +[O-][N+](=O)c1ccc(NC(=O)c2csc(c2)[N+](=O)[O-])cc1,mutagenic +CN(C)CCOC(=O)C=C,non-mutagenic +ClCCNCCCl,mutagenic +OC(=O)CCC(=O)Nc1cc(Cl)c(Cl)c(Cl)c1,non-mutagenic +COc1ccc2cc3N(C)CCc4cc(OC)c(OC)c(c2c1)c34,non-mutagenic +Fc1ccc(F)c2c1ccc3ncccc23,mutagenic +COc1ccc(cc1)c2nc(c3ccccc3)c([nH]2)c4ccccc4,mutagenic +Clc1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1,non-mutagenic +C1COCO1,non-mutagenic +CNc1ccc(cc1)C(=C2C=CC(=[N+](C)C)C=C2)c3ccc(cc3)N(C)C,mutagenic +COC(=O)c1oc(N(OC(=O)C)C(=O)C)c(c2ccccc2)c1c3ccccc3,non-mutagenic +BrCC(Br)CBr,mutagenic +[O-][N+](=O)c1ccc2c3ccccc3C(=O)c2c1,mutagenic +CC\C=C\C\C=C\C\C=C\CCCCCCCC(=O)O,non-mutagenic +CC(=O)Nc1nc(cs1)c2oc(cc2)[N+](=O)[O-],mutagenic +CC(=O)Nc1ccnc2ccccc12,non-mutagenic +CNP(=S)(N1CC1)N2CC2,mutagenic +BrCc1c2cccc3ccc4cc5cccc6ccc1c(c56)c4c23,mutagenic +OC(=O)CCCc1ccc(cc1)N(CCCl)CCCl,mutagenic +Nc1ccc2nc3c(N)cccc3nc2c1,mutagenic +CSCC(NC(=O)COc1cccc2cnccc12)C(=O)NC(Cc3ccccc3)C(O)C(=O)N4CSCC4C(=O)NC(C)(C)C,non-mutagenic +CCCCN(CCCO)N=O,mutagenic +Nc1cc(cc(c1O)[N+](=O)[O-])[N+](=O)[O-],mutagenic +CC(Br)Br,non-mutagenic +BrCCOC(=O)C=C,mutagenic +[O-][N+](=O)c1ccccc1SS\C(=C(/Cl)\C(F)(F)F)\Cl,mutagenic +OCCCCO,non-mutagenic +Cc1cc2c(nc(N)n2C)c3nc(C)c(C)nc13,mutagenic +COP(=S)(Cl)OC,non-mutagenic +CC(=O)OCNC(=O)c1ccc(Cl)cc1,non-mutagenic +[O-][N+](=O)c1ccc(cc1)c2nc3SCCn3c2[N+](=O)[O-],mutagenic +COc1cccc(C=O)c1O,non-mutagenic +[O-][N+](=O)c1ccc2sc3ccccc3c2c1,mutagenic +CCc1cccc2c(CCO)c[nH]c12,non-mutagenic +CC12OOC1(C)c3ccccc3O2,mutagenic +COC(=O)c1ccccc1N,non-mutagenic +[O-][N+](=O)c1ccc2c3ccccc3c4cccc5ccc1c2c45,mutagenic +[O-][N+](=O)c1ccc(C=O)cc1,mutagenic +Cc1ccc(cc1)S(=O)(=O)NC2CCCCC2,non-mutagenic +ICI,non-mutagenic +CN1CCN(CC1)c2cc3N(C4CC4)C5=CC(=O)N(O)C(=O)N5c3cc2F,mutagenic +CC(C)(C)OC(=O)NC(CN=N#N)C(=O)O,mutagenic +ClC(Cl)[C@H](c1ccc(Cl)cc1)c2ccccc2Cl,non-mutagenic +OC1OC(=O)C(=C1C(Br)Br)Br,mutagenic +CC(=O)Nc1cccc(N)c1C(=O)O,mutagenic +Cc1c(C(=O)NCCO)[n+]([O-])c2ccccc2[n+]1[O-],mutagenic +CCCCCC(=O)Cc1cc(O)cc2Oc3c(CCCCC)c(C(=O)O)c(O)cc3OC(=O)c12,non-mutagenic +C\C=C/C=O,mutagenic +OC1C(O)c2ccc3cccc4cc5c6ccccc6C1=c5c2c34,non-mutagenic +OC(=O)\C=C\c1ccc(O)c(O)c1,non-mutagenic +Fc1cnc2cccc(F)c2c1,non-mutagenic +OC(=O)c1ccc(CCC(=O)CCC#N)cc1,mutagenic +CCCCCl,non-mutagenic +NNCCO,mutagenic +COc1cc(cc(OC)c1O)C(=O)C,non-mutagenic +[O-][N+](=O)c1ccc(\C=C\c2cccc(c2)C#N)cc1,mutagenic +ClC(Cl)(Cl)C[C@H]1CO1,mutagenic +CC(=O)OC=C,non-mutagenic +OC[C@@H](O)[C@@H](O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@@H](O)CO,non-mutagenic +C1CCc2c(C1)ccc3cc4CCc5ccccc5c4cc23,mutagenic +Cc1cccc(c1N)[N+](=O)[O-],mutagenic +ClCC1(CCl)C2CC(Cl)(Cl)C1(CCl)C(Cl)C2Cl,non-mutagenic +C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C,non-mutagenic +CCCN(CCCC(=O)O)N=O,mutagenic +Cc1cc2C(O)C(O)C=Cc2c3cc4ccccc4cc13,mutagenic +CCCCO,non-mutagenic +ICCc1ccccc1,non-mutagenic +CS\C(=N/OC(=O)N(C)N=O)\C,mutagenic +[O-][N+](=O)c1ccc2N(S\C(=N/C(=O)c3ccc(Cl)c(Cl)c3)\c2c1)C(=O)c4ccc(Cl)c(Cl)c4,mutagenic +ClC(=C(Cl)c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)Cl,non-mutagenic +CCCCCCCCSCN1CN(C)C=C1,non-mutagenic +O1C2C1c3cccc4C5OC5c6cccc2c6c34,mutagenic +O=S1(=O)CC=CC1,non-mutagenic +CCCCCCC=C,non-mutagenic +CCCCC1CO1,non-mutagenic +S=P(N1CC1)(N2CC2)N3CC3,mutagenic +Fc1c(F)c(F)c(Cl)c(F)c1F,non-mutagenic +CNP(=O)(N(C)C)N(C)C,mutagenic +Brc1cc(Br)c(c(Br)c1)c2c(Br)cc(Br)cc2Br,non-mutagenic +CC(=O)Nc1ccc2c(Cc3ccccc23)c1OC(=O)C,non-mutagenic +[O-][N+](=O)c1ccc2oc3ccc(cc3c2c1)[N+](=O)[O-],mutagenic +ClCC#N,non-mutagenic +CN(C)CCN(Cc1cccs1)c2ccccn2,non-mutagenic +ClC1=C(Cl)C(=O)c2ccccc2C1=O,mutagenic +[O-][N+](=O)c1cc2ccccc2c3ccccc13,mutagenic +Oc1ccc(O)c2c(O)c3ccccc3c(O)c12,mutagenic +C[C@H]1C[C@@H](C)C(=O)[C@H](C1)[C@@H](O)CC2CC(=O)NC(=O)C2,non-mutagenic +OC(=O)c1cccc(c1)[N+](=O)[O-],mutagenic +Nc1cc(ccc1Cl)C(F)(F)F,non-mutagenic +C1Cc2ncccc2C3OC13,non-mutagenic +CCCCOC(=O)\C=C/C(=O)OCCCC,non-mutagenic +CCCCN(CCCC(=O)O)N=O,mutagenic +Nc1ccc(Cc2cc(O)c(N)c(Cl)c2)cc1Cl,non-mutagenic +C1COCC2(C1)CO2,mutagenic +Cc1c2ccccc2cc3c4C=C[C@@H](O)[C@H](O)c4ccc13,mutagenic +CCSc1cc(Cc2ccc(N)c(SCC)c2)ccc1N,mutagenic +CC(C)(C)[N+](=O)[O-],non-mutagenic +CCCCCCCCCC=C,non-mutagenic +CCC[C@@H](C)C[C@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)C[C@H](O)CCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O,non-mutagenic +[O-][N+](=O)c1cc(c2ccccc2c1)[N+](=O)[O-],mutagenic +CC(C)CCCCCCCOP(=O)(Oc1ccccc1)Oc2ccccc2,non-mutagenic +OCC(CBr)(CBr)CBr,mutagenic +Cc1c2ccncc2c(C)c3c4ccccc4[nH]c13,mutagenic +[O-][n+]1cc2ccncc2cn1,non-mutagenic +COc1ccc(cc1)N=O,mutagenic +CCOP(=S)(OCC)Oc1cc(C)nc(n1)C(C)C,non-mutagenic +N#CCCCCC#N,non-mutagenic +COc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl,mutagenic +Nc1ccc(Cc2ccc(NO)c(Cl)c2)cc1Cl,mutagenic +COc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],mutagenic +COc1ccc2C=C(Oc3cccc1c23)[N+](=O)[O-],mutagenic +[O-][N+](=O)c1cc[n+]([O-])c2ccccc12,mutagenic +CC1(C)C(C(=O)OC(C#N)c2cccc(Oc3ccccc3)c2)C1(C)C,non-mutagenic +CC(C)OC[C@H]1CO1,mutagenic +Cc1ccccc1Cl,non-mutagenic +O[C@@H]1OCC=C2OC(=O)C=C12,non-mutagenic +O=C=Nc1ccc(cc1)N=C=O,non-mutagenic +COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O,mutagenic +CCCCOCCOCCOCCCC,non-mutagenic +C=Cc1ccccn1,non-mutagenic +CN(C)CCOC(=O)C(=C)C,mutagenic +[O-][N+](=O)c1ccc2N(S\C(=N/C(=O)CCCCl)\c2c1)C(=O)CCCCl,mutagenic +COc1cccc2OC3(C)OOC3(C)c12,mutagenic +Cc1cnc2cc3nc(N)n(C)c3c(C)c2n1,mutagenic +Cc1ccc2Cc3cccc4ccc1c2c34,mutagenic +Cc1cnc2c(C)c(C)c3c(nc(N)n3C)c2n1,mutagenic +Cc1ccc2c(c1)cc3ccc4cccc5ccc2c3c45,mutagenic +CN(C)CCNC(=O)c1cccc2c3ccccc3cnc12,mutagenic +Cn1c(N=N#N)nc2ncc(cc12)c3ccccc3,mutagenic +[O-][N+](=O)c1cc(cs1)C(=O)Nc2cccc(F)c2,mutagenic +[O-][N+](=O)\C(=C\c1ccccc1)\Br,mutagenic +CC(C)Cl,mutagenic +CCO,non-mutagenic +O=C1C=C(Nc2ccccc2)C(=O)c3ccccc13,mutagenic +C[C@@H](CC(=O)O)C(=O)O,non-mutagenic +OC[C@@H]1SCCN1N=O,mutagenic +CC(O)C(=O)NCCO,mutagenic +Cc1cc2c3ccccc3ccc2c4ccccc14,mutagenic +OC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)COc3cc(Cl)c(Cl)cc3Cl,non-mutagenic +OC1C=Cc2c(cc3ccc4c(O)ccc5ccc2c3c45)C1O,mutagenic +Cc1c(C)c2c(nc(N)n2C)c3nccnc13,mutagenic +CC(=O)OCCOCCOCCOC(=O)C,mutagenic +CC(C)(C)OOC(C)(C)CCC(C)(C)OOC(C)(C)C,non-mutagenic +CC(C)(C)c1ccc(O)c(O)c1,non-mutagenic +Clc1ccc2ccccc2c1,non-mutagenic +CCCCCC(=O)OCC,non-mutagenic +CC(C)CO,non-mutagenic +NC(CSc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])C(=O)O,mutagenic +CC(=O)N(Cl)c1ccc2c(Cc3ccccc23)c1,mutagenic +CCCCOC(=O)\C=C\c1oc(cc1)[N+](=O)[O-],mutagenic +Nc1ccc(Cc2ccc(N=O)c(Cl)c2)cc1Cl,non-mutagenic +c1ccc2c(c1)cc3c4ccccc4c5cccc6ccc2c3c56,mutagenic +COS(=O)(=O)C(F)(F)F,mutagenic +NNC(=O)c1ccncc1,mutagenic +CCOc1cc2C(=O)CCc2c3ccc4ccccc4c13,non-mutagenic +COc1c(Cl)ccc2Oc3cc4OC5OC=CC5c4c(OC)c3C(=O)c12,mutagenic +c1cnc2c(c1)ccc3c4cccnc4ccc23,mutagenic +CC(=O)Nc1ccc(c2cc(c(N=Nc3ccc(N=Nc4ccc(cc4)S(=O)(=O)O)c5ccc(cc35)S(=O)(=O)O)c(O)c12)S(=O)(=O)O)S(=O)(=O)O,non-mutagenic +C[C@@H](S)C(=O)NCC(=O)O,non-mutagenic +COc1cc(C)cc2c(OC(=O)C)c(cc(OC(=O)C)c12)c3c(C)cc4c(OC(=O)C)ccc(OC(=O)C)c4c3OC,non-mutagenic +OC(=O)Cc1ccccc1[N+](=O)[O-],mutagenic +CN(C(=O)CN(CCO)CC(=O)N(C)C(C)(C)Cc1ccccc1)C(C)(C)Cc2ccccc2,non-mutagenic +CCN(CC)CCC[C@@H](C)Nc1c2ccc(Cl)cc2nc3ccc(OC)cc13,mutagenic +COS(=O)(=O)C,mutagenic +Nc1ccc2cc(c(N=Nc3ccc(cc3)c4ccc(cc4)N=Nc5ccc(O)c(c5)C(=O)O)c(O)c2c1)S(=O)(=O)O,mutagenic +[O-][N+](=O)c1c2ccccc2cc3c1ccc4ccccc34,non-mutagenic +OS(=O)(=O)c1cc(Nc2nc(Nc3ccccc3)nc(n2)N4CCOCC4)ccc1\C=C\c5ccc(Nc6nc(Nc7ccccc7)nc(n6)N8CCOCC8)cc5S(=O)(=O)O,non-mutagenic +FC(Cl)C(F)(F)F,non-mutagenic +CCCCCCCCCCCCOS(=O)(=O)O,non-mutagenic +C[C@@H]1CCC(=C(C)C)C(=O)C1,non-mutagenic +CC(=O)c1cccc2c1OC3(C)OOC23C,mutagenic +BrCc1c2ccccc2cc3ccc4ccccc4c13,mutagenic +ClCC=O,mutagenic +CCC(C)Nc1snc2ccccc12,non-mutagenic +Cc1cnc2cc(CO)c3c(nc(N)n3C)c2n1,mutagenic +Cc1ccc(NC(=O)N)cc1,non-mutagenic +CC(=O)OC[C@H]1O[C@@H](Oc2cccc3C(=O)c4cccc(O)c4C(=O)c23)[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@@H]1OC(=O)C,mutagenic +CN(C(=O)CCCl)c1snc2ccccc12,mutagenic +CNC(=O)[C@@H](C)SCCSP(=O)(OC)OC,mutagenic +NC(=O)Nc1cccc2cccnc12,non-mutagenic +c1ccc2c(c1)cc3ccc4cc5ccccc5c6ccc2c3c46,mutagenic +OC1C2OC2c3c(ccc4c5C=Cc6cccc(cc34)c56)C1O,mutagenic +CC1CCCO1,non-mutagenic +Cc1ccc2nsc(NC(=O)C(Cl)(Cl)Cl)c2c1,mutagenic +NC(=O)N,non-mutagenic +Oc1ccc(cc1)[N+](=O)[O-],non-mutagenic +C[C@H]1CC(=O)O1,mutagenic +CSCCC(N)C(=O)O,non-mutagenic +[O-][N+](=O)c1ccc2ccc3cccc4C(=O)C(=O)c1c2c34,mutagenic +Cc1cnc2ccc3c(nc(NO)n3C)c2n1,mutagenic +OC(=O)C=C(C(Cl)Cl)C(Cl)Cl,mutagenic +Clc1cc(Cl)cc(c1)N2C(=O)CCC2=O,non-mutagenic +CC1(C)C2CCC3(CO3)C1C2,non-mutagenic +Nc1c(N=Nc2ccc(cc2Cl)c3ccc(N=Nc4c(N)c(cc5cc(ccc45)S(=O)(=O)O)S(=O)(=O)O)c(Cl)c3)c6ccc(cc6cc1S(=O)(=O)O)S(=O)(=O)O,non-mutagenic +Nc1c2ccccc2nc3ccc(I)cc13,mutagenic +NC(=O)N(CC(=O)O)N=O,non-mutagenic +C[C@H]1C[C@H]2OC(=O)C(=C)[C@H]2C[C@@]3(C)[C@H](O)O[C@H](O)C[C@H]13,mutagenic +CCCCCC[N+](=O)[O-],non-mutagenic +CCOC(=O)N(C)N=O,mutagenic +O=C(ON(OCc1ccccc1)C(=O)c2ccccc2)c3ccccc3,mutagenic +COC(=O)c1ccc(cc1)N=Nc2ccc(cc2)N(C)OC(=O)C,mutagenic +CC(=O)OCC12OOC1(C)c3ccccc3O2,mutagenic +CCOC(=O)C1OC1C(=O)NC(CC(C)C)C(=O)NCCC(C)C,non-mutagenic +Cn1ccnc1[N+](=O)[O-],mutagenic +[O-][N+](=O)c1cc(F)ccc1F,mutagenic +CCCN=NC(C)(C)OO,mutagenic +Fc1ccc2cccnc2c1,mutagenic +BrC=C,mutagenic +CN(N=O)[C@H](OC(=O)C)c1ccccc1,mutagenic +O=C\C=C/c1occc1,non-mutagenic +N[C@@H](CCC(=O)NNc1ccccc1)C(=O)O,mutagenic +Cc1ccccc1N=Nc2ccc(N)c(C)c2,mutagenic +CCOC(=O)[C@H](SP(=S)(OC)OC)c1ccccc1,non-mutagenic +C[n+]1c2ccccc2cc3ccccc13,mutagenic +Cc1cc(N)cc(N)c1,non-mutagenic +CC(C)(C#N)C(C)(C)C#N,non-mutagenic +Cc1ccc(c(C)c1)[N+](=O)[O-],mutagenic +CN(C)c1ccc(cc1)N=Nc2ccc(cc2)S(=O)(=O)O,non-mutagenic +CC(C)c1ccc(C)c(O)c1,non-mutagenic +Oc1cccc2C(=O)c3ccccc3C(=O)c12,mutagenic +NCCNc1cccc2ccccc12,mutagenic +C[C@H](CS)[C@@H]1CC[C@@H](C)[C@H](S)C1,non-mutagenic +C[C@H](Cl)CN(C)C,mutagenic +COc1cccc(c1)[N+](=O)[O-],non-mutagenic +OCc1c(O)c2C(=O)c3ccccc3C(=O)c2cc1OC4OC(COC5OCC(O)C(O)C5O)C(O)C(O)C4O,mutagenic +CC(C(=O)O)c1cccc(c1)C(=O)c2ccccc2,non-mutagenic +CCOC(=O)C[C@H](S[P@@](=O)(OC)SC)C(=O)OCC,non-mutagenic +Cc1ccc(cc1C)[C@@](OC(=O)NC2CCCCC2)(C#C)c3ccccc3,mutagenic +COCC(COC(=O)c1ccccc1)(COC(=O)c2ccccc2)COC(=O)c3ccccc3,non-mutagenic +CCc1cccc(CC)c1NC(=O)CCl,mutagenic +CC(=O)N(N)C(=O)C,non-mutagenic +Nc1ccc2nc3ccccn3c2n1,mutagenic +OCCc1ccc(Nc2ccc(O)c3C(=O)c4c(O)ccc(c4C(=O)c23)[N+](=O)[O-])cc1,mutagenic +OCCN(CCO)c1ccc2ccccc2c1,mutagenic +O=C(c1ccccc1)c2ccccc2,non-mutagenic +CC12CC(=O)C3C(CCC4=CC(=O)C=CC34C)C1CCC2(O)C(=O)CO,mutagenic +ON(C=O)c1ccc(Oc2ccc(Cl)cc2)cc1,mutagenic +CC(=O)OO,non-mutagenic +COCCOCCOC,non-mutagenic +Nc1ccc2c3ccccc3[nH]c2n1,mutagenic +OC(=O)CCCC[C@@H]1CCSS1,non-mutagenic +Cc1cccc(N=Nc2c(O)ccc3ccccc23)c1C,non-mutagenic +SCCc1cnccn1,non-mutagenic +Nc1nc(N)nc(n1)c2oc(cc2)[N+](=O)[O-],mutagenic +CNCC(=O)O,non-mutagenic +CN1\C(=N\N)\Sc2ccccc12,mutagenic +Oc1cccc2c1ccc3c4ccccc4ccc23,mutagenic +CC(CCC(=O)O)C1CCC2C3C(CCC12C)C4(C)CCC(=O)CC4CC3=O,non-mutagenic +CC(C)(c1ccc(OCC(O)CO)cc1)c2ccc(OCC(O)CO)cc2,non-mutagenic +Clc1ccccc1\C=C\C=O,mutagenic +CC(C)CCCC(C)C1CCC2C3CC(O)C4(O)CC(O)CCC4(C)C3CCC12C,mutagenic +NC1CCCC(N)C1,non-mutagenic +C1=Cc2cc3cccc4c5ccccc5c6ccc1c2c6c34,mutagenic +CCCC(=O)C1c2cccc(O)c2C(=O)c3c(O)cccc13,mutagenic +CC(=C)[C@@H]1CC=C(C)[C@@H](O)C1,non-mutagenic +CC(C)CC(=O)OCC=C,non-mutagenic +COC(=O)Nc1nc2cc(Sc3ccccc3)ccc2[nH]1,non-mutagenic +[O-][N+](=O)c1ccc(CBr)cc1,mutagenic +CCOC(=O)C(C#N)c1snc2ccc(cc12)[N+](=O)[O-],mutagenic +Fc1ccc(\C=C\C(=O)c2ccccc2)cc1,non-mutagenic +OC(=O)CCc1c[nH]c2ccccc12,non-mutagenic +OCc1ccnc2ccccc12,non-mutagenic +CN(C)C(=O)N(C)C=O,mutagenic +Cn1cnc2c(NO)ncnc12,mutagenic +O=C1OC(=O)c2ccccc12,non-mutagenic +[O-][N+](=O)c1ccc(\C=C\c2ccc(cc2)C#N)cc1,mutagenic +OCc1ccc2cccc3c4ccccc4c1c23,non-mutagenic +NC(=O)OCC1C(NC(=O)\C(=N/OCC(=O)O)\c2csc(N)n2)C(=O)N1S(=O)(=O)O,non-mutagenic +Cc1cc(c(C)c2c3cc(ccc3[nH]c12)[N+](=O)[O-])[N+](=O)[O-],mutagenic +NC(CSC(=O)NCCCl)C(=O)O,mutagenic +[O-][N+](=O)c1ccc2cc3ccccc3cc2c1,mutagenic +CCCCOCCOCCSC#N,non-mutagenic +c1ccc2c(c1)ccc3[nH]c4ccc5ccccc5c4c23,mutagenic +CCCCN,non-mutagenic +[O-][N+](=O)c1cc2cccc3c4ccccc4c(c1[N+](=O)[O-])c23,mutagenic +C(OCc1ccccc1)C2CO2,mutagenic +Nc1nc(cs1)c2cccnc2,non-mutagenic +O=C(Cc1ccccc1)OCc2ccccc2,non-mutagenic +CN(N=O)C(=O)Oc1ccc(C)c(C)c1C,mutagenic +CC(=O)OCC(=O)NCCCOc1cccc(CN2CCCCC2)c1,non-mutagenic +[O-][N+](=O)c1ccc2C=Cc3cccc1c23,mutagenic +ClCc1cccnc1,mutagenic +N[C@@H]1C[C@H]1c2ccccc2,non-mutagenic +Cc1cccc2c1ccc3cc4ccccc4cc23,mutagenic +ClCc1ccccc1,mutagenic +FC(F)(F)c1cccc(CN2C3C2c4ccccc4c5ccccc35)c1,mutagenic +ON(C=O)c1ccc(cc1)[N+](=O)[O-],mutagenic +COC(=O)C(C)Cl,mutagenic +CN(C)CC\C=C\1/c2ccccc2COc3ccccc13,non-mutagenic +C[C@H](CCc1ccccc1)NC[C@@H](O)c2ccc(O)c(c2)C(=O)N,non-mutagenic +CCN(CCCC(=O)O)N=O,mutagenic +CC(=O)OCc1cccc(c1)[N+](=O)[O-],non-mutagenic +OCCc1ccc(cc1)[N+](=O)[O-],mutagenic +NCC=C,non-mutagenic +CCc1cc2C(=O)CCc2c3ccc4ccccc4c13,mutagenic +COc1cc2CC3N(C)CCc4cc5OCOc5c(c34)c2cc1OC,mutagenic +C[N+]1=CC=C(CC1)c2ccccc2,mutagenic +Oc1cccc2cccnc12,mutagenic +CN(N=O)C(=O)C,mutagenic +C1=Cc2c3ccc4cccc5ccc(c6cccc1c26)c3c45,mutagenic +Clc1ccc2ccc3cccc4ccc1c2c34,mutagenic +CCC(CCC(=O)C)COC(=O)c1ccccc1C(=O)O,non-mutagenic +CCN(CC)C(=O)c1cccc(C)c1,non-mutagenic +Cc1cc(Cl)cc2S\C(=C\3/Sc4cc(Cl)cc(C)c4C3=O)\C(=O)c12,non-mutagenic +Cc1ccc(C)c2c3C4OC4C(O)C(O)c3ccc12,mutagenic +Cc1ccc2cc3c(ccc4ccccc34)cc2c1,mutagenic +[O-][N+](=O)c1ccc(Cl)c(Cl)c1,mutagenic +Nc1ccc(cc1)N(c2ccc3ccccc3c2)c4ccc5ccccc5c4,non-mutagenic +OC1C(O)c2cc3ccc4cccc5ccc(c2C(O)C1S(=O)(=O)O)c3c45,non-mutagenic +[O-][N+](=O)c1oc2ccc(cc2c1)N(CCCl)CCCl,mutagenic +CCCCON(OC(=O)C)C(=O)c1ccccc1,mutagenic +c1ccc2c(c1)ccc3cc4ccc5ccccc5c4nc23,mutagenic +OC1C(O)C(OC1COP(=O)(O)O)n2cnc3c(O)ncnc23,non-mutagenic +CC(C)OP(=O)(C)F,non-mutagenic +[O-][N+](=O)CCl,mutagenic +Cn1c(N)nc2nc3ccccc3cc12,mutagenic +CCCCCCc1ccc(O)cc1O,non-mutagenic +CC(N)C(=O)O,non-mutagenic +Cc1c2ccccc2cc3c1ccc4ccccc34,mutagenic +ClCc1ccc(Br)cc1,non-mutagenic +BrCCBr,mutagenic +ClC(=O)c1ccccc1,mutagenic +CCCCOC(=O)c1ccc(N)cc1,non-mutagenic +OC1C=Cc2cc3c(ccc4ccccc34)c(c2C1O)[N+](=O)[O-],mutagenic +[O-][N+](=O)c1cc(Cl)c(Cl)cc1Cl,mutagenic +ClC(Cl)C#N,mutagenic +CC(=O)OC(C(=O)c1ccccc1)c2ccccc2,non-mutagenic +OCC(NC(=O)C(Cl)Cl)C(O)c1ccc(cc1)[N+](=O)[O-],non-mutagenic +Oc1cc(O)c2cc(O)c([o+]c2c1)c3cc(O)c(O)c(O)c3,non-mutagenic +Cc1cc2c3ccccc3[nH]c2nc1NO,mutagenic +O=C(OC[C@H]1CO1)c2cccc(c2)C(=O)OC[C@H]3CO3,mutagenic +CN(C(=O)CCCCl)c1snc2ccccc12,non-mutagenic +OS(=O)(=O)Oc1cccc2c3ccc4cccc5ccc(cc12)c3c45,non-mutagenic +CC(C)OC(=O)C(C)(C)Oc1ccc(cc1)C(=O)c2ccc(Cl)cc2,non-mutagenic +Clc1ccc(Cl)c(Cl)c1Cl,non-mutagenic +OC(=O)C1=CN(c2ccc(F)cc2)c3cc(N4CCNCC4)c(F)cc3C1=O,non-mutagenic +CCOP(=S)(OCC)SCSCC,non-mutagenic +COC(C)(C)CC(=O)C,non-mutagenic +CC(\C=C(/C#N)\c1ccc(Cl)c(Cl)c1)C(C(C#N)c2ccc(Cl)c(Cl)c2)c3ccccc3,mutagenic +c1ccc(cc1)c2ccccc2c3ccccc3,non-mutagenic +OC(=O)c1cccc(Cl)c1Cl,non-mutagenic +Clc1ccc(CC#N)cc1,non-mutagenic +CN(C)c1ccc(cc1)C(=C2C=CC(=[N+](C)C)C=C2)c3ccc(cc3)N(C)C,non-mutagenic +NN(Cc1ccccc1)Cc2ccccc2,non-mutagenic +CC(C)C(=O)\N=C\1/SN(C(=O)C(C)C)c2ccc(cc12)[N+](=O)[O-],mutagenic +[O-][N+](=O)c1ccc2NC(=O)C(=O)c2c1,mutagenic +Oc1oc2ccccc2n1,non-mutagenic +CC(=C)C(=O)OCCOCCOC(=O)C(=C)C,non-mutagenic +NC(CSC(=C(Cl)Cl)Cl)C(=O)O,mutagenic +[O-][N+](=O)c1ccc2c3CCCCc3c4c(ccc5ccc1c2c45)[N+](=O)[O-],mutagenic +NC(=S)Nc1cccc2ccccc12,mutagenic +C[C@H]1CC[C@@H]2[C@@H](C)[C@H]3[C@@H](C[C@H]4[C@@H]5CC=C6C[C@H](CC[C@]6(C)[C@H]5CC[C@]34C)O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O[C@@H]8O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]8O)[C@@H]7O[C@@H]9O[C@@H](C)[C@H](O)[C@@H](O)[C@H]9O)N2C1,non-mutagenic +CN(C)Nc1nc(cs1)c2oc(cc2)[N+](=O)[O-],mutagenic +CCCCCCCCC=C,non-mutagenic +Nc1ccc(Nc2c3ccccc3nc4ccccc24)cc1,mutagenic +OC(=O)c1ccc(Cl)cc1,non-mutagenic +COc1ccc(CN(C)N=O)cc1,non-mutagenic +CCc1cc(ccn1)C(=S)N,non-mutagenic +[O-][N+](=O)c1ccc(cc1)c2ccc(cc2)[N+](=O)[O-],mutagenic +CC1(CCC2(C)C(C1)C(=O)CC3C4(C)CCCC23OC4=O)C=C,non-mutagenic +Cl[C@@H](Br)C#N,mutagenic +OC(=O)C(=C(C(Cl)Cl)C(Cl)Cl)Cl,mutagenic +COc1ccc(cc1)c2noc(CC(=O)O)c2c3ccc(OC)cc3,non-mutagenic +[O-][N+](=O)c1ccc2[C@H]3O[C@H]3c4cccc5ccc1c2c45,mutagenic +C[C@H](O)[C@H](NC(=O)[C@@H](C)[C@H](O)[C@@H](C)NC(=O)[C@@H](NC(=O)c1nc(nc(N)c1C)[C@H](CC(=O)N)NC[C@H](N)C(=O)N)[C@@H](O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]2O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](OC(=O)N)[C@@H]3O)c4c[nH]cn4)C(=O)NCCc5nc(cs5)c6nc(cs6)C(=O)NCCCNCCCNC(=N)CC7CCC(Cl)CC7,mutagenic +Cc1c2[C@H]3N[C@H]3c4ccccc4c2cc5ccccc15,mutagenic +OCCN1CC1,mutagenic +Nc1ccc(N)c(c1)[N+](=O)[O-],mutagenic +FC(Cl)(Cl)Cl,non-mutagenic +Cc1cccc2ncccc12,mutagenic +COC(=O)\C(=C/CO)\C=C(/C)\C=C(/C)\C=C\C=C(/C)\C(=O)C12OC1C(O)(CCO)NC2=O,mutagenic +C(Oc1ccccc1)[C@H]2CO2,mutagenic +Cc1cc(c(C)c2c3cc(O)ccc3[nH]c12)[N+](=O)[O-],mutagenic +CCN1CCOCC1,mutagenic +COC1=CC(=O)c2c(nc(C)c3c4c[nH]ccc4nc23)C1=O,mutagenic +O=C1NC(=O)c2ccccc12,non-mutagenic +OCNC(=O)c1ccc(Cl)cc1,non-mutagenic +Cc1cc2CCCc2c3ccc4C(O)C(O)C=Cc4c13,mutagenic +C[C@H](COc1ccccc1)N(CCCl)Cc2ccccc2,mutagenic +COC(=O)C1=C(C(C)OC1=O)c2ccccc2,non-mutagenic +FC(F)(F)CCl,non-mutagenic +Nc1ccc(cc1)c2ccc(Cl)cc2,mutagenic +CC(=O)OCc1c2ccccc2c3ccc4cccc5ccc1c3c45,mutagenic +CN(C)C(=N)N(C)C,non-mutagenic +[O-][N+](=O)c1ccc2C(=O)NNC(=O)c2c1,mutagenic +O=C1c2ccc3nc(sc3c2C(=O)c4ccc5nc(sc5c14)c6ccccc6)c7ccccc7,non-mutagenic +CC1(C)CC2C=C(C=O)C3(CC3(C)C2C1)C=O,mutagenic +Oc1ccc2ccccc2c1N=Nc3ccc(cc3)N=Nc4ccccc4,mutagenic +OCC1OC(CC1O)N2C=CC(=O)NC2=O,non-mutagenic +Nc1cc(CCO)c(N)c(c1)[N+](=O)[O-],mutagenic +Cc1ccccc1C(=O)N,non-mutagenic +OC(=O)c1c[n+]([O-])c2ccccc2[n+]1[O-],mutagenic +COC(=O)C1=C(C)C(OC1=O)C(C)C,mutagenic +CC(=O)CC(C)(C)O,non-mutagenic +Nc1ccc(cc1C(=O)O)S(=O)(=O)O,non-mutagenic +Cc1c2c3cccc4cccc(c2c(C)c5ccccc15)c34,mutagenic +C[C@@H]1OC(=O)C[C@H](O)C[C@H](O)CC[C@@H](O)[C@H](O)C[C@H](O)C[C@]2(O)C[C@H](O)[C@@H]([C@@H](C[C@@H](O[C@H]3O[C@H](C)[C@H](O)[C@H](N)[C@@H]3O)\C=C\C=C\C=C\C=C\C=C\C=C\C=C\[C@H](C)[C@@H](O)[C@H]1C)O2)C(=O)O,non-mutagenic +[O-][N+](=O)c1ccc(Sc2ccccc2)cc1,mutagenic +Cc1c(N)cc(cc1[N+](=O)[O-])[N+](=O)[O-],mutagenic +ClCC(Cl)C(=C)Cl,mutagenic +CCOC(=O)N(CC)N=O,mutagenic +Cc1cc(C(=O)O)c2ncccc2c1,non-mutagenic +CCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCC,non-mutagenic +OCCN(CCO)CCO,non-mutagenic +Cc1ccc(O)cc1O[P@](=O)(Oc2ccc(O)cc2C)Oc3c(C)cccc3O,non-mutagenic +NC(=O)CBr,non-mutagenic +CC(=O)N(O)c1ccc(Sc2ccccc2)cc1,mutagenic +CC1(C)N(Cl)C(=O)N(Cl)C1=O,non-mutagenic +OC[C@H]1CC[C@H](O1)n2cnc3c(O)ncnc23,mutagenic +OC(=O)c1ccc(\C=C\C(=O)CCC#N)cc1,non-mutagenic +Cc1cc2ccccc2c3ccc4C(=O)CCc4c13,mutagenic +ClC(=O)c1cccc(Cl)c1,mutagenic +CC1COc2c3N1C=C(C(=O)O)C(=O)c3cc(F)c2C4(N)CC4,non-mutagenic +CC(C)OC(=O)C(=C)C,non-mutagenic +OC(=O)c1ccc(O)cc1O,non-mutagenic +Nc1ccc(F)cc1,mutagenic +CCOCCOC(=O)C,mutagenic +CC(C)(Br)C(=O)Nc1ccccc1,non-mutagenic +Nn1c2ccccc2c3cnccc13,mutagenic +C1CC2(CCO1)CO2,mutagenic +Nc1nc(cs1)c2ccccc2,mutagenic +CC(Br)C(Br)CCl,mutagenic +CC(C)NCC(O)COc1ccccc1OCC=C,non-mutagenic +Oc1ccc(cc1)C2=COc3cc(O)ccc3C2=O,non-mutagenic +ClC(Cl)C(Cl)Cl,non-mutagenic +CCCOc1ccc(N)cc1N,mutagenic +Cc1ccccc1[N+](=O)[O-],non-mutagenic +Nc1ccc(Cl)cc1,mutagenic +COc1ccc(CN(CCN(C)C)c2ccccn2)cc1,non-mutagenic +Cc1cc2ccccc2c3cc4C(O)C(O)C=Cc4cc13,mutagenic +CC(=O)NO,mutagenic +CSCCC(NC(=O)COc1cc(Cl)c(Cl)cc1Cl)C(=O)O,non-mutagenic +C1=Cc2cc3cccc4ccc5ccc1c2c5c34,mutagenic +COc1c2ccoc2nc3cc(O)ccc13,non-mutagenic +[O-][N+](=O)c1ccc(\C=C\c2cccc(Cl)c2)cc1,mutagenic +CSCCl,mutagenic +CC1=C(Oc2c(cccc2C1=O)C(=O)OCCN3CCCCC3)c4ccccc4,non-mutagenic +Nc1ccc(NOS(=O)(=O)O)cc1Cl,mutagenic +Cc1ccc(NO)cc1C,mutagenic +Cc1cc(C)c2ccc3ccccc3c2c1,mutagenic +ONC(=O)Cc1cn(cn1)N=O,mutagenic +N\C(=C(\N)/C#N)\C#N,non-mutagenic +CS(=O)(=O)OC[C@@H](O)[C@H](O)COS(=O)(=O)C,mutagenic +OC(=O)\C=C\c1c[nH]cn1,non-mutagenic +OCC1OC(CC1O)N2C=C(Br)C(=O)NC2=O,non-mutagenic +Nc1cc(c(N)cc1F)[N+](=O)[O-],mutagenic +CC(=O)Nc1ccc(cc1)C(=O)[C@@H]2O[C@H]2c3ccccc3,mutagenic +C1CC[C@@H]2CCCC[C@H]2C1,non-mutagenic +Cc1ccc2c(ccc3c4ccccc4ccc23)c1,mutagenic +Cc1c(\C=N\OCc2ccc(Cl)cc2Cl)c3cc(ccc3n1Cc4ccc(Cl)cc4)[N+](=O)[O-],non-mutagenic +CCN(CCC#N)c1cc(NC(=O)C)c(cc1OC)n2nc3c(Br)cc(N)c(Cl)c3n2,mutagenic +COP(=O)(OC)Oc1c(Cl)cc(C)cc1Cl,non-mutagenic +Nc1cc(Cl)cc(Cl)c1O,non-mutagenic +O[C@@H]1C=Cc2c(ccc3c2ccc4ccc(O)cc34)[C@H]1O,mutagenic +Cc1c(cc(c(N)c1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],mutagenic +OC1CCC(O)(CN(CC(=O)O)N=O)C(O)C1O,non-mutagenic +Clc1nncc2cnccc12,non-mutagenic +COC(=O)c1oc(c(c2ccccc2)c1c3ccccc3)[N+](=O)[O-],mutagenic +Nc1cccc2cc3ccccc3cc12,mutagenic +CSCC(N)C(=O)O,non-mutagenic +[O-][N+](=O)c1ccc2ccc3cccc4ccc1c2c34,mutagenic +C[C@@H](O)C(=O)C,non-mutagenic +CC1CCC2(OC1)OC3CC4C5CC=C6CC(O)CCC6(C)C5CCC4(C)C3C2C,non-mutagenic +OC(=O)c1cccc(c1)C(=O)O,non-mutagenic +CC(C)C1C(C)C(C)(C)c2cc(C)c(cc12)C(=O)C,non-mutagenic +N(c1ccccc1)c2ccc(Nc3ccccc3)cc2,mutagenic +COc1c2ccoc2nc3cc4OCOc4cc13,mutagenic +C1=Cc2c3ccccc3cc4cccc1c24,mutagenic +CCCCC(=O)N1N=CC(=C(Cl)C1=O)Cl,non-mutagenic +[O-][N+](=O)\C=C\c1oc(cc1)[N+](=O)[O-],mutagenic +CCCCC(=O)\N=C\1/SN(C(=O)CCCC)c2ccc(cc12)[N+](=O)[O-],mutagenic +COc1cc(N)c(C)cc1N,non-mutagenic +NC(=O)c1ncn(n1)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O,non-mutagenic +CC(=O)Nc1cccc(C)c1,non-mutagenic +COc1nncc2cnccc12,non-mutagenic +Cn1cnc2c(N)ncnc12,mutagenic +CN(C)c1ccc2nc(C)c(C)nc2c1C,mutagenic +[O-][N+](=O)c1cc2c3ccccc3sc2c4ccccc14,mutagenic +CCCc1cc2ccccc2c3ccc4C(O)C(O)C5OC5c4c13,non-mutagenic +OCCc1ccccc1[N+](=O)[O-],mutagenic +Cc1ccc(cc1)\C(=C/CN2CCCC2)\c3ccccn3,non-mutagenic +CC(C)C(=O)Nc1snc2cc(Cl)ccc12,non-mutagenic +C[C@H]1CN1,mutagenic +Oc1ccnc2ccccc12,non-mutagenic +[O-][N+](=O)c1ccc2c3c1cccc3c4cccc5ccc(c2c45)[N+](=O)[O-],mutagenic +N[C@@H](CCC(=O)N[C@@H](CS\C(=C(\Cl)/C(=C(Cl)Cl)Cl)\Cl)C(=O)NCC(=O)O)C(=O)O,mutagenic +CC(=O)Nc1ccc(cc1)S(=O)(=O)N,non-mutagenic +CC(=O)Nc1snc2c(Cl)cc(Cl)cc12,non-mutagenic +Oc1cccc2ccc3[nH]c4ccc5ccccc5c4c3c12,non-mutagenic +CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2\C(=C/C=C/3\C(CC[C@@H](C3)O)=C)\CCC[C@@]12C,non-mutagenic +CCOCCOCC,mutagenic +[O-][N+](=O)c1oc(\C=C\C(=O)N\N=C\c2oc(cc2)[N+](=O)[O-])cc1,mutagenic +CCCCCC(O)\C=C\C=O,non-mutagenic +CNc1ccc(cc1[N+](=O)[O-])N(CCO)CCO,mutagenic +CCOc1ccc(NO)cc1,mutagenic +CCN(CC)CC#CC(C)(C)OC(=O)C(O)(C1CCCCC1)c2ccccc2,non-mutagenic +CC1(C)[C@H]2CC[C@]1(C)C(=O)C2,non-mutagenic +O=C(OC[C@H]1CO1)[C@H]2CCCC[C@@H]2C(=O)OC[C@H]3CO3,mutagenic +O=C1C(=O)c2cccc3cccc1c23,mutagenic +CC(C)C(O)(C(C)O)C(=O)OCC1CCN2CCCC12,non-mutagenic +c1ccc2nc3ccccc3cc2c1,mutagenic +OC1C(O)c2c(ccc3ccccc23)c4ccccc14,non-mutagenic +[O-][N+](=O)c1ccc2N(S\C(=N/C(=O)CCCl)\c2c1)C(=O)CCCl,mutagenic +Nc1ncnc2c1ncn2C(c3ccccc3)(c4ccccc4)c5ccccc5,mutagenic +Nc1ccc2c(Cc3cc(ccc23)[N+](=O)[O-])c1,mutagenic +OCNc1ncnc2c1ncn2C3OC(CO)C(O)C3O,mutagenic +CNC[C@@H](O)c1cccc(O)c1,non-mutagenic +NC(CSC(F)(F)C(Cl)Cl)C(=O)O,non-mutagenic +[O-][N+](=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl,non-mutagenic +COc1ccc2[nH]c(N)nc2c1,non-mutagenic +CCC1C(=C(C)c2cc(O)ccc12)c3ccc(O)cc3,non-mutagenic +[O-][N+](=O)c1ccc(cc1)c2ccccc2,mutagenic +COc1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c3C(=O)c4c(O)ccc(O)c4Oc3c1,mutagenic +CC1=C2C(O)C(C)(C)C=C2C(=O)C(C)(O)C13CC3,mutagenic +NC(CCS\C(=C\Cl)\Cl)C(=O)O,mutagenic +CCOC(=O)C[n+]1csc2ccccc12,non-mutagenic +[O-][n+]1c2ccc3ccccc3c2cc4c5ccccc5ccc14,non-mutagenic +CCOC(=O)OCC,non-mutagenic +NCCc1c[nH]c2ccc(O)cc12,non-mutagenic +CN1[C@@H]2C[C@@H](C[C@H]1[C@H]3O[C@@H]23)OC(=O)[C@@H](CO)c4ccccc4,non-mutagenic +CC(C)(C)S(=O)(=O)CC(Cc1ccccc1)C(=O)NC(Cc2c[nH]cn2)C(=O)NC(CC3CCCCC3)C(O)C(O)C4CC4,non-mutagenic +O=NN1CCCN(CC1)N=O,mutagenic +[O-][N+](=O)c1cccc2c3cc4cccc5ccc6ccc(c12)c3c6c45,mutagenic +CN(C)c1ccc(\C=C\c2ccc(cc2)[N+](=O)[O-])cc1,mutagenic +OC(=O)C(=O)Nc1cccc(c1)c2nn[nH]n2,non-mutagenic +Oc1cccc2Oc3c4C5CCOC5Oc4cc(O)c3C(=O)c12,non-mutagenic +COc1ccccc1NC(=O)c2csc(c2)[N+](=O)[O-],mutagenic +C1=Cc2c3ccc4ccccc4c3cc5cccc1c25,mutagenic +OC(=O)c1oc(cc1)[N+](=O)[O-],mutagenic +C1O[C@H]1c2ccccc2,mutagenic +CN(C)CCCNc1c2ccccc2nc3ccccc13,mutagenic +CC1CN(CC(C)O1)N=O,mutagenic +[O-][N+](=O)c1cc(c(c2ccccc2)c(c1)[N+](=O)[O-])[N+](=O)[O-],mutagenic +[O-][n+]1cccc2ccccc12,non-mutagenic +C1=Cc2c3ccccc3cc4cc5ccccc5c1c24,mutagenic +FC(F)(Cl)C(F)(F)Cl,non-mutagenic +CC(C)(O)C1Cc2cc3C=CC(=O)Oc3cc2O1,mutagenic +[O-][N+](=O)c1ccc2nscc2c1,mutagenic +CCCCCCCCCCCC(=O)N(CCO)CCO,non-mutagenic +Fc1cc(F)c2ncccc2c1,mutagenic +NC(=N)c1cc2ccc(Br)cc2[nH]1,non-mutagenic +CCNc1cccc(O)c1,mutagenic +C[C@@H]1CCc2c1cc(C)c3c2ccc4ccccc34,mutagenic +COc1cccc2c1OC3(C)OOC23C,mutagenic +CN(C)CCCNc1c2ccccc2nc3c(cccc13)[N+](=O)[O-],mutagenic +CC[C@@]12O[C@]1(C(=O)OC)C(=O)N[C@]2(C)O,mutagenic +Cn1c(NO)nc2c3cccnc3ccc12,mutagenic +Oc1ccc2ccccc2n1,non-mutagenic +Nc1ccc2N=C3N(Cc2c1)C(=O)c4ccccc34,mutagenic +Cc1ccc(N)c(O)c1,mutagenic +Nc1[nH]cnc2ncnc12,mutagenic +Cc1ccc(N)c(N)c1,mutagenic +O1[C@@H]2[C@H]1c3cc4c(ccc5ccccc45)cc3c6ccccc26,mutagenic +C=CC(=O)OCCCCOC(=O)C=C,non-mutagenic +CC(C)(C)OOC1(C)C=C(C(=O)C(=C1)C(C)(C)C)C(C)(C)C,non-mutagenic +O[C@H](C=C)c1ccc2OCOc2c1,non-mutagenic +CCN(CCCl)CCCNc1c2ccccc2nc3c1ccc4cccnc34,mutagenic +CC(=O)ON(C(=O)C)c1ccccc1C,non-mutagenic +OCP(CO)(CO)CO,non-mutagenic +CC1CCC2C(C)C3C(CC4C5CC=C6CC(CCC6(C)C5CCC34C)OC7OC(CO)C(OC8OC(C)C(O)C(O)C8O)C(O)C7OC9OC(C)C(O)C(O)C9O)N2C1,non-mutagenic +COc1ccc2C[C@H]3N(C)CCc4cc(OC)c(Oc5c6OCOc6cc7CCN(C)[C@@H](Cc8ccc(Oc1c2)cc8)c57)cc34,mutagenic +NC(=O)NCC(=O)O,non-mutagenic +CNCCO,non-mutagenic +CCN(CC)S(=O)(=O)c1ccc(N)cc1,non-mutagenic +CC[N+]([O-])(CC)CCn1nc2c3ccc(Cl)cc3Sc4c(CO)ccc1c24,mutagenic +COc1cc(\C=C/C)ccc1O,non-mutagenic +CCN(N)CC,non-mutagenic +OC1C(Oc2ccc3cc4ccc5cccc6ccc(c3c2)c4c56)OC(C(O)C1O)C(=O)O,non-mutagenic +O=S1(=O)CCCCO1,mutagenic +CC1(N(O)c2ccccc2/C/1=N\c3ccccc3)c4ccccc4,non-mutagenic +OCC(CO)N[C@@H]1C[C@](O)(CO)[C@H](O)[C@@H](O)[C@@H]1O,non-mutagenic +S(Sc1nc2ccccc2s1)c3nc4ccccc4s3,mutagenic +C[C@H]1C[C@H](OC(=O)C)O[C@H](C)O1,mutagenic +ClC(=C1OC(=O)C=C1)Cl,mutagenic +CC(C)NCC(O)c1ccc(O)c(O)c1,non-mutagenic +[O-][N+](=O)c1ccc(Cl)c(Cl)c1Cl,mutagenic +ClC(=Cc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)Cl,non-mutagenic +CCSCC[C@H](N)C(=O)O,non-mutagenic +C1Cc2c(cc3ccc4cccc5ccc2c3c45)[C@@H]6O[C@H]16,mutagenic +COC1OC(=O)C(=C1C(Cl)Cl)Cl,mutagenic +ClC1CCN(CC1)N=O,mutagenic +Cc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],mutagenic +ONc1[nH]cnc2ncnc12,mutagenic +CCOC(=O)c1ccccc1C(=O)OCC,non-mutagenic +CN(C)CCCNc1c2ccccc2nc3c(Cl)ccc(c13)[N+](=O)[O-],mutagenic +c1ccc2c(c1)cc3ccc4cccc5ncc2c3c45,mutagenic +Nc1nc(N)nc(Cl)n1,non-mutagenic +Nc1cccc2ccccc12,mutagenic +[O-][N+](=O)c1ccc2c(Cc3cccc(c23)[N+](=O)[O-])c1,mutagenic +ClC(=O)OCc1ccccc1,non-mutagenic +COC1=C(OC)C(=O)C(=CC1=O)C,non-mutagenic +Nc1c2ccccc2nc3ccc(Br)cc13,mutagenic +COc1ccc2C3CCC4(C)C(CCC4(O)C#C)C3CCc2c1,non-mutagenic +[O-][N+](=O)c1cc2c3ccccc3c4cccc(c1)c24,mutagenic +[O-][N+](=O)C1CCCC1,mutagenic +CC(C)c1ccc2c(ccc3c(C)cccc23)c1,non-mutagenic +CNC(=O)ON(C(=O)C)C(=O)NC,mutagenic +C[C@@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,non-mutagenic +Oc1ncc(N(CCCl)CCCl)c(O)n1,mutagenic +CCCCCCCCCCCCCO,non-mutagenic +NNc1nncc2ccncc12,mutagenic +CC(C)COC(=O)Cc1ccccc1,non-mutagenic +CCCCCCCCCCCl,non-mutagenic +[O-][N+](=O)c1ccc2c(c1)[nH]c3ccccc23,mutagenic +CC(C)(C)c1ccc(OP2OCC3(COP(Oc4ccc(cc4C(C)(C)C)C(C)(C)C)OC3)CO2)c(c1)C(C)(C)C,non-mutagenic +Clc1ccc(cc1Cl)N2C(=O)CCC2=O,non-mutagenic +CC(=O)Cl,non-mutagenic +Clc1cccnc1Cl,mutagenic +OCCNc1ccc(cc1[N+](=O)[O-])N(CCO)CCO,mutagenic +Cc1cc(O)c2C(=O)c3c(O)cc(O)cc3C(=O)c2c1,mutagenic +COc1ccc2c(OC)c3ccoc3nc2c1,mutagenic +COP(=O)(SC)SC,non-mutagenic +COCCOCCO,non-mutagenic +Nc1cc2ccccc2cc1N,mutagenic +Oc1ccc2c3C(C4OC4C(=O)c13)C5(O)CCC(=O)c6c(O)ccc2c56,mutagenic +CCOP(=O)(C#N)N(C)C,non-mutagenic +CC(C)(C)c1ccc(cc1)c2ccc(NO)cc2,mutagenic +O=P(Oc1ccccc1)(Oc2ccccc2)Oc3ccccc3,non-mutagenic +OC[C@H]1CO1,mutagenic +NC(=O)c1ccccc1[N+](=O)[O-],mutagenic +OC(CN=N#N)CN=N#N,mutagenic +COCCN(CCOC)c1cc(NC(=O)C)c(cc1OC)n2nc3c(Br)cc(N)c(Cl)c3n2,mutagenic +[O-][N+](=O)c1ccc2cc(c3ccc(cc3c2c1)[N+](=O)[O-])[N+](=O)[O-],mutagenic +FC(F)(F)c1ccc(CCl)cc1,non-mutagenic +Oc1c(Cl)cc(Cl)c(Cl)c1Cc2c(O)c(Cl)cc(Cl)c2Cl,non-mutagenic +OC1C=Cc2c(ccc3ccccc23)C1O,mutagenic +Clc1c2ccccc2cc3c1ccc4ccccc34,mutagenic +COc1cccc(\C=C\c2ccc(cc2)[N+](=O)[O-])c1,mutagenic +CC(\C=C(\C#N)/c1ccc(Br)cc1)C(C(C#N)c2ccc(Br)cc2)c3ccccc3,non-mutagenic +Cn1c(nc2ccccc12)[N+](=O)[O-],mutagenic +BrC[C@H]1CO1,mutagenic +CCN(C(=O)CCCCl)c1snc2ccccc12,non-mutagenic +CSCNc1ccccc1,mutagenic +[O-][N+](=O)c1cc2cccc3c4ccccc4c5cccc1c5c23,mutagenic +ClCCOC(=O)Cl,non-mutagenic +CC(C)C(=O)Nc1snc2ccccc12,non-mutagenic +CC(=O)OCc1ccccc1[N+](=O)[O-],non-mutagenic +CN(C)N=Nc1ccccc1,mutagenic +CC(=O)Nc1nnc(s1)c2oc(cc2)[N+](=O)[O-],mutagenic +O=C(C1OC1c2ccc(cc2)c3ccccc3)c4ccccc4,non-mutagenic +Oc1ccc(N=Nc2ccc(cc2)[N+](=O)[O-])c(O)c1,non-mutagenic +CCCCCCCCCCCCCC(=O)[N-][N+](C)(C)CC(C)O,non-mutagenic +Oc1ccc2ccc3ccc(c4c5ccccc5c1c2c34)[N+](=O)[O-],mutagenic +NC(Cc1ccc(O)cc1)C(=O)O,non-mutagenic +COC(=O)C(CSCCBr)NC(=O)C,mutagenic +BrCC(=O)c1ccc(cc1)c2ccccc2,mutagenic +CC(=O)CC(=O)Nc1ccc(O)cc1,non-mutagenic +O=C1c2ccccc2c3ccc4ccc5ccccc5c4c13,non-mutagenic +COC(=O)\C(=C\C)\C=C(/C)\C=C(/C)\C=C\C=C(/C)\C(=O)[C@@]12O[C@@H]1[C@](O)(CCO)NC2=O,mutagenic +CC(=O)N1CNC(=O)N(C(=O)C)C1=O,non-mutagenic +CC1CCCC(C)N1CCCC(O)(c2ccccc2)c3ccccn3,non-mutagenic +OCCN(CCO)c1ccc(cc1)N=Nc2ccc(cc2C#N)[N+](=O)[O-],mutagenic +Clc1ccc2NC(=O)CN=C(c3ccccc3)c2c1,non-mutagenic +CCCCCCCCCCCCCC=C,non-mutagenic +Cc1cccc2cccc(c12)[N+](=O)[O-],mutagenic +NC(=S)NNC(=S)N,non-mutagenic +ONc1ccc(cc1)N=Nc2ccccc2,mutagenic +CC(C)(C)CCCCCC(=O)OC[C@H]1CO1,mutagenic +Nc1nc(O)c2[nH]nnc2n1,non-mutagenic +CCCCOc1ccc(cn1)N=Nc2ccc(cc2)N(CC)CC,mutagenic +CCCC(=O)Nc1snc2cc(Cl)ccc12,non-mutagenic +[O-][N+](=O)c1cccc(c1)S(=O)(=O)OC[C@H]2CO2,mutagenic +NC(CCC(=O)Nc1ccc(cc1)[N+](=O)[O-])C(=O)O,non-mutagenic +OC(=O)c1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1,mutagenic +CCCCCC,non-mutagenic +[O-][N+](=O)c1cccc2nc3cccc(c3nc12)[N+](=O)[O-],mutagenic +ClCc1ccc2c3cccc4cccc(c2c1)c34,mutagenic +OCC(Cl)Cl,mutagenic +CCc1c2C3NC3c4ccccc4c2cc5ccccc15,mutagenic +CN(C)c1ccc2nc3cc(C)c(N)cc3[s+]c2c1,mutagenic +CC(=O)Nc1nc2c3cccnc3ccc2n1C,mutagenic +CC1=CC(=O)CC(C)(C)C1,non-mutagenic +N[C@@H](CCC(=O)O)C(=O)O,non-mutagenic +ClCCN(CCCl)P1(=O)OCCCN1CCCl,mutagenic +CC(=O)OCc1cocc2c(C=O)ccc12,mutagenic +CC(C)(Br)C(Br)CCl,non-mutagenic +Cc1ccccc1c2oc3ccccc3n2,non-mutagenic +COc1ccc2C[C@@H]3[C@@H]4C=C[C@H](O)[C@H]5Oc1c2[C@]45CCN3C,non-mutagenic +CN(Cc1ccccc1)N=O,mutagenic +[O-][N+](=O)c1ccc2ccc3cccc4[C@H]5O[C@H]5c1c2c34,mutagenic +Nc1c(F)cc(cc1F)c2cc(F)c(N)c(F)c2,mutagenic +Cc1cc(C)cc(c1)N=Nc2c(O)ccc3ccccc23,non-mutagenic +Cc1cccc(C)c1NC(=O)CN2CCCC2=O,non-mutagenic +CC(=CCC[C@@](C)(O)C=C)C,non-mutagenic +CC(=O)Nc1ccc(Cc2ccc(N)c(Cl)c2)cc1Cl,mutagenic +COc1ccc2nc3occc3c(OC)c2c1,mutagenic +CSCCC(NC=O)C(=O)NC(Cc1ccccc1)C(=O)O,non-mutagenic +c1ccc2c(c1)ccc3cc4c(ccc5ccccc45)cc23,mutagenic +CC(=O)OCc1ccc2ccc3cccc4ccc1c2c34,mutagenic +C1Cc2c(ccc3cccnc23)C4OC14,non-mutagenic +[C-]#N,non-mutagenic +COc1c(c(C)c(cc1C(C)(C)C)[N+](=O)[O-])[N+](=O)[O-],non-mutagenic +Nc1ccc(N=Nc2ccc3cc(c(N=Nc4ccc(Nc5ccc(cc5S(=O)(=O)O)N=Nc6c(O)c7cc(ccc7cc6S(=O)(=O)O)N=Nc8ccc(N)cc8N)cc4)c(O)c3c2)S(=O)(=O)O)c(N)c1,mutagenic +[O-][N+](=O)c1c(Cl)c(Cl)c2Oc3c(Cl)c(Cl)ccc3Oc2c1Cl,mutagenic +Brc1ccc(Oc2cc(Br)c(Br)cc2Br)c(Br)c1,non-mutagenic +CCc1ccccc1[N+](=O)[O-],non-mutagenic +ClC(C(=O)Cl)c1ccccc1,mutagenic +Nc1ccc(CC(=O)O)cc1,mutagenic +CCCSC(=O)Cl,mutagenic +CNC(=N)N[N+](=O)[O-],mutagenic +Oc1ccc2cc(ccc2c1N=Nc3ccccc3)S(=O)(=O)O,non-mutagenic +COC(COC(=O)N)C1=C(N2CC2)C(=O)C(=C(N3CC3)C1=O)C,mutagenic +COCC12OOC1(C)c3ccccc3O2,mutagenic +Brc1ccc(CN2C3C2c4ccccc4c5ccccc35)cc1,mutagenic +C1OCOCO1,non-mutagenic +CC1OC(OCC2OC(OC3=C(Oc4cc(OCCO)cc(O)c4C3=O)c5ccc(OCCO)c(OCCO)c5)C(O)C(O)C2O)C(O)C(O)C1O,non-mutagenic +Cc1ccc2c(C)c3ccccc3c(C)c2c1,mutagenic +Nc1snc2ccc(cc12)[N+](=O)[O-],mutagenic +C\C=C\C1=CC(=O)C23CC2C(C)(C)OC3(O)C1=O,mutagenic +FC(F)(F)[C@H](Cl)Br,non-mutagenic +NCCNCCNCCN,mutagenic +CN(C)c1ccc(cc1)N=Nc2ccccc2,mutagenic +CN1CCN(CC1)C2=Nc3cc(Cl)ccc3Nc4ccccc24,non-mutagenic +C=CCCCC[C@H]1CO1,mutagenic +NCCCN,non-mutagenic +C1CC=C2C(C1)CCc3ccccc23,mutagenic +Cc1cc(C)c(cc1[N+](=O)[O-])[N+](=O)[O-],mutagenic +ClCc1ccccc1CCl,non-mutagenic +Cn1cnc(c1c2ccccc2)[N+](=O)[O-],non-mutagenic +Cc1cc2Cc3ccccc3c2cc1C,non-mutagenic +O=Nc1ccc2c(Cc3ccccc23)c1,mutagenic +Cc1ccc2C(=O)c3ccccc3C(=O)c2c1Nc4ccccc4,mutagenic +Nc1ccc(Oc2ccc(N)cc2)cc1,mutagenic +CC(CCC(=O)O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12C,mutagenic +Cc1ccc(cc1)[C@@H]2CO2,mutagenic +Oc1c2C(=N)CCC(=N)c2c(O)c3ccccc13,mutagenic +C1C[n+]2ccccc2c3cccc[n+]13,non-mutagenic +OC(=O)c1cccnc1,non-mutagenic +CC(C)N(C(C)C)C(=O)SC\C(=C\Cl)\Cl,mutagenic +OC1C(O)c2cc3ccccc3c4ccc5cccc1c5c24,mutagenic +NC(CS\C=C\Cl)C(=O)O,mutagenic +Oc1cc2cc3ccccc3c4ccc5cccc1c5c24,mutagenic +O=C1NNC(=O)c2ccccc12,non-mutagenic +[O-][N+](=O)c1ccc2c(ccc3ccccc23)c1,mutagenic +CN1CC(=C[C@@H]2[C@H]1Cc3c[nH]c4cccc2c34)C,mutagenic +Oc1ccc2c3ccc4ccc5cccc6cc(c2c1)c3c4c56,mutagenic +COc1cc(N=Nc2c(Br)cc(cc2[N+](=O)[O-])[N+](=O)[O-])c(NC(=O)C)cc1N(CC=C)CC=C,mutagenic +N1c2ccccc2Sc3ccccc13,non-mutagenic +C1=Cc2ccc3c4ccccc4c5ccc1c2c35,mutagenic +CCN(CC)c1ccc(cc1)c2ccc(cc2)c3ccc(cc3)N(CC)CC,mutagenic +c1ccc2c(c1)ccc3nc4ccc5ccccc5c4cc23,mutagenic +[O-][N+](=O)c1ccc(Br)cc1,mutagenic +ClCCCl,mutagenic +COc1ccc2nc3cc(Cl)ccc3c(NCCCNCCCl)c2c1,mutagenic +CCN(CC)CCn1nc2ccc(C)c3c4ccc(Cl)cc4Sc1c23,mutagenic +COc1cc2nc3ccccc3c(O)c2cc1OC,mutagenic +C\C(=C(\Cl)/C(=O)O)\C=O,mutagenic +OCCN1CCNCC1,non-mutagenic +Cc1cc2ccccc2c3cc4ccccc4cc13,mutagenic +O=CC1C=COC=C1,non-mutagenic +CN(N)C=O,non-mutagenic +NC(=O)c1ccc(cc1)[N+](=O)[O-],mutagenic +CCCC(=O)O,non-mutagenic +C\C(=C\CO)\C=C/C=C(/C)\C=C/C1=C(C)CCCC1(C)C,mutagenic +Oc1ccc2cc(cc(c2c1N=Nc3ccc(c4ccccc34)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O,non-mutagenic +Cn1c2ccccc2c3cc(N)ccc13,mutagenic +NC(=O)N=NC(=O)N,mutagenic +CC(Cl)(Cl)[N+](=O)[O-],mutagenic +CC1(C)COC1=O,mutagenic +Nc1nc(O)c2nc(CNc3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O)cnc2n1,non-mutagenic +Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],mutagenic +NCCNCCNCCNCCN,mutagenic +Oc1ncc2ccc3cccc4ccc1c2c34,non-mutagenic +COc1ccc(\C=C\c2ccc(cc2)[N+](=O)[O-])cc1,mutagenic +CN(C)CCNC(=O)c1cccn2cc(nc12)c3ccccc3,mutagenic +C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](CC[C@]34C)OC(=O)COc5ccc(cc5)N(CCCl)CCCl)[C@@H]1CCC(=O)N2,mutagenic +O=C1NS(=O)(=O)c2ccccc12,non-mutagenic +C[C@H]1CCOS(=O)(=O)O1,mutagenic +[O-][N+](=O)c1cc(cs1)C(=O)Nc2ccc(Cl)cc2,mutagenic +CCCC[C@@H](CC)COC(=O)CCCCC(=O)OC[C@H](CC)CCCC,non-mutagenic +CC(=O)OC12CCC3[C@](CCC4[C@@]3(C)CCC[C@@]4(C)C(=O)O)(CC1=C)C2,non-mutagenic +CN(C)c1ccc(cc1)N=Nc2ccc3ccccc3c2,mutagenic +COO,mutagenic +N[C@@H](CSCc1ccccc1)C(=O)O,non-mutagenic +SC(=N\C=C\N=C(S)S)S,non-mutagenic +C[C@@H](O)[C@H](NC(=O)[C@@H](C)[C@H](O)[C@H](C)NC(=O)[C@@H](NC(=O)c1nc(nc(N)c1C)[C@H](CC(=O)N)NC[C@H](N)C(=O)N)[C@@H](O[C@@H]2O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]2O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](OC(=O)N)[C@@H]3O)c4c[nH]cn4)C(=O)NCCc5nc(cs5)c6nc(cs6)C(=O)NCCCN(C)CCC(N(C)c7ccc(OCc8ccccc8)c(OCc9ccccc9)c7)N(C)c%10ccc(OCc%11ccccc%11)c(OCc%12ccccc%12)c%10,mutagenic +Cc1ccc(\C=C\c2ccc(cc2)[N+](=O)[O-])cc1,mutagenic +OCCN(CCO)c1ccc(cc1O)[N+](=O)[O-],mutagenic +CN(C)c1ccc(N(C)C)c2C(=O)c3c(O)ccc(O)c3C(=O)c12,mutagenic +CC(=O)Nc1cc(ccc1C)N=Nc2ccc(C)c(NC(=O)C)c2,non-mutagenic +Cn1c(NS(=O)(=O)O)nc2c3nc(CO)cnc3ccc12,non-mutagenic +CC1CCCC2(C)CCCCC12O,non-mutagenic +Oc1c(cc2ccccc2c1N=Nc3cc(Cl)ccc3Cl)C(=O)Nc4ccccc4,mutagenic +Cc1ccc2nc3ccccc3c(N)c2c1,mutagenic +Cn1c(N)nc2c1ccc3nc(c4ccccc4)c(nc23)c5ccccc5,non-mutagenic +COC(F)(F)C(Cl)Cl,non-mutagenic +[O-][N+](=O)c1c2CCc3cccc4ccc(c5ccccc15)c2c34,mutagenic +OC(=O)C=O,mutagenic +Nc1ccc(Oc2ccc(Cl)cc2Cl)cc1,mutagenic +CC(=O)CCOOCCC(=O)C,non-mutagenic +c1ccc(cc1)C(c2ccccc2)c3ccccc3,non-mutagenic +Nc1ncnc2c1ncn2[C@@H]3CC[C@H](CO)O3,mutagenic +CN(Cc1ccc(cc1)C(=O)O)N=O,non-mutagenic +NC(CCCCNCC(N)C(=O)O)C(=O)O,non-mutagenic +CC1(C)CC2C3(C)CC3(C=O)C(=CC2(O)C1)C=O,mutagenic +Clc1cccc2ccccc12,mutagenic +CNNCc1ccc(cc1)C(=O)NC(C)C,non-mutagenic +CCN1CCNC(=O)C1=O,non-mutagenic +[O-][N+](=O)c1cccc2ccccc12,mutagenic +OC(=O)\C=C\c1cccc(c1)[N+](=O)[O-],mutagenic +[O-][N+](=O)c1cccc2oc3ccccc3c12,mutagenic +CN1C(=O)N(C)c2[nH]cnc2C1=O,non-mutagenic +[O-][N+](=O)c1c2ccccc2c(c3ccccc13)[N+](=O)[O-],non-mutagenic +Oc1ccc(O)c2ccccc12,mutagenic +COP(=O)(OC)OC=C(Cl)Cl,mutagenic +CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1,non-mutagenic +c1cc2ccc3cc4cccc5ccc6cc(c1)c2c3c6c45,mutagenic +O1C2C3OC3c4ncccc4C12,non-mutagenic +CCCOC(=O)c1ccc(O)cc1,non-mutagenic +CC(=O)N=C1C=CC(=O)C=C1,non-mutagenic +FCC(F)(F)F,non-mutagenic +O=C1c2ccccc2c3ccc4c5ccc6c7ccccc7C(=O)c8ccc(c9ccc1c3c49)c5c68,mutagenic +Nc1cc(Cl)cc(Cl)c1,non-mutagenic +C1COCCOc2ccccc2OCCOCCO1,non-mutagenic +COc1cc(c(O)c(c1)C(C)(C)C)[N+](=O)[O-],non-mutagenic +COC(=O)Nc1nc2cc(ccc2[nH]1)C(=O)c3ccc(F)cc3,non-mutagenic +COc1cc(O)c2C(=O)OC3(C)CC(O)C(O)C=C3c2c1,non-mutagenic +[O-][N+]1=C2C=CC(=O)C=C2\C(=N/c3ccccc3)\C1(c4ccccc4)c5ccccc5,non-mutagenic +OC1OC(=O)C=C1CCl,mutagenic +CC(CCN=N#N)c1ccccc1,mutagenic +CCOc1ccc(cc1)N(O)C(=O)C,mutagenic +CC(C(=O)O)c1ccc(Oc2nccs2)cc1,non-mutagenic +CCC(=O)O,non-mutagenic +CCOC(=O)c1ccc(cc1)N(O)C=O,non-mutagenic +CCN=C=S,non-mutagenic +c1cnc2c(c1)ccc3cc[nH]c23,non-mutagenic +OO[C@@H]1CCCc2ccccc12,mutagenic +BrCC(=C)Br,mutagenic +O=C1CCC(N2C(=O)c3ccccc3C2=O)C(=O)N1,non-mutagenic +OC(=O)c1ccccc1[N+](=O)[O-],mutagenic +Cc1ccc(O)c(O)c1,non-mutagenic +CC(C)CCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC(C)C,non-mutagenic +Cc1c(C)c(c(c(c1C)[N+](=O)[O-])C(C)(C)C)[N+](=O)[O-],non-mutagenic +Nc1cccc(Cl)c1,non-mutagenic +CC\C=C\C=C\C=C\C=C\C=C\OCC(C)O,mutagenic +C\C=C/1\CC(=C)[C@](O)(CO)C(=O)OCC2=CCN3CC[C@H](OC1=O)[C@@H]23,mutagenic +COc1ccc(N)c2C(=O)c3ccccc3C(=O)c12,mutagenic +Nc1ccc(Sc2ccc(cc2)[N+](=O)[O-])cc1,mutagenic +COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O)c4c(O)c3C(=O)c12)C(=O)C,mutagenic +C[Si](C)(C)N=N#N,mutagenic +CC#CC(OC(=O)NC1CCCCC1)(c2ccccc2)c3ccccc3,mutagenic +c1ccc(cc1)P(c2ccccc2)c3ccccc3,non-mutagenic +ONC(=O)c1ccc2ccccc2c1,mutagenic +Nc1nc2cc(ccc2[nH]1)C#N,mutagenic +CC12OOC1Oc3ccccc23,mutagenic +Oc1ccc(Cl)c(Cl)c1Cl,non-mutagenic +Cc1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1,mutagenic +[O-][N+](=O)c1cccc(CO\N=C\c2nc3cc(ccc3n2Cc4ccc(Cl)cc4)[N+](=O)[O-])c1,non-mutagenic +CCCCN(N=O)\C(=N\O)\C=O,mutagenic +CNc1ccc(cc1)[N+](=O)[O-],mutagenic +C(CC[C@H]1CO1)C[C@H]2CO2,mutagenic +CC(C)CC=O,non-mutagenic +OC1C2OC2c3c(ccc4c5ccccc5c6ccccc6c34)C1O,mutagenic +CC(=O)Nc1ccc(Nc2ccc(cc2)[N+](=O)[O-])cc1,mutagenic +CC(C)O,non-mutagenic +CCl,mutagenic +O=C1CNC(=O)N1,non-mutagenic +Oc1ccc2C(=O)c3c(O)ccc(O)c3C(=O)c2c1O,mutagenic +COC[C@H]1CO1,mutagenic +COc1ccc(CN(CC[N+](C)(C)[O-])c2ccccn2)cc1,non-mutagenic +Cc1ccc(cc1)N(N)c2ccc(C)cc2,mutagenic +Cc1cc(cc(C)n1)c2cc3N(C4CC4)C5=CC(=O)NC(=O)N5c3cc2F,mutagenic +OC(=O)CCl,non-mutagenic +ClCC(Br)CCl,mutagenic +CO\N=C(/C(=O)NC1C2SCC(=C(N2C1=O)C(=O)OCOC(=O)C(C)(C)C)\C=C\c3scnc3C)\c4csc(N)n4,non-mutagenic +CN(N=O)C(=O)c1c(ncn1C)N(C)N=O,mutagenic +c1ccc2c(c1)c3cccc4cc5ccccc5c2c34,mutagenic +Cc1ccccc1NC(=O)c2csc(c2)[N+](=O)[O-],mutagenic +CC(=N)S,non-mutagenic +COc1nsc2cc(N)ccc12,mutagenic +Oc1ccccc1[N+](=O)[O-],non-mutagenic +Cc1cnc2c(C)cc3c(nc(N)n3C)c2n1,mutagenic +Nc1ccc(\C=C\c2ccccc2)cc1,mutagenic +Cc1cc2CCC(=O)c2c3ccc4ccccc4c13,mutagenic +OC1CCCc2c1cc3ccc4ccc(c5ccc2c3c45)[N+](=O)[O-],mutagenic +CCCCCCC1CO1,non-mutagenic +c1ccc2c(c1)ccc3nc4c(ccc5ccccc45)cc23,mutagenic +NNC(=O)N,non-mutagenic +CC1CC2C(Cc3cn(C4CCCC4)c5cccc2c35)N(C)C1,mutagenic +Nn1nnc2c3ccccc3nc2c1O,mutagenic +OCC(O)C(O)C(O)C(O)CN=N#N,mutagenic +NC(=O)N\N=C\c1oc(cc1)[N+](=O)[O-],mutagenic +C1N(\N=C\c2ccc(Oc3ccccc3)cc2)N=Nc4c1[nH]c5ccccc45,non-mutagenic +Nc1ccc(\C=C\c2cccc(c2)C#N)cc1,mutagenic +COc1cc(O)ccc1Nc2c3ccccc3nc4ccccc24,mutagenic +Cc1c2C3NC3c4ccccc4c2c(C)c5ccccc15,mutagenic +O=C1Oc2ccccc2C=C1,mutagenic +Clc1nncc2ncccc12,non-mutagenic +CCN(N=O)C(=O)N(C)C,mutagenic +O=NN1CCCCCCCCCCCC1,mutagenic +Cc1c(C)c(N)c(cc1N)[N+](=O)[O-],mutagenic +CN(Cc1ccc(C)cc1)N=O,non-mutagenic +Cc1ccc(cc1N=O)[N+](=O)[O-],mutagenic +Cc1cccc(C)c1N,mutagenic +Cc1cc(ccc1N)[N+](=O)[O-],mutagenic +CC(C)(Oc1ccc(cc1)C(=O)c2ccc(Cl)cc2)C(=O)O,non-mutagenic +CC(=O)Nc1ccc(Oc2ccc(N)cc2)cc1,mutagenic +NNc1ccccc1,mutagenic +O=C1c2ccccc2CCc3ccccc13,non-mutagenic +CC(C)(C)N,non-mutagenic +O=C1OC(=O)C=C1,non-mutagenic +o1ccc2c1cc3ccc4cccc5ccc2c3c45,mutagenic +Cc1cccc2cccnc12,mutagenic +CCCC[C@H](CC)COC(=O)c1cccc(c1)C(=O)OC[C@@H](CC)CCCC,non-mutagenic +C1OC1Oc2ccccc2,mutagenic +CC(C)(C)c1cc(O)ccc1O,non-mutagenic +COc1cc2c(CC3c4c(CC[N+]3(C)C)cc(OC)c(O)c24)cc1O,non-mutagenic +CC\C=C\C=C\C=C\C=C\OCC(O)CO,mutagenic +O=Nc1cccc(c1)c2ccccc2,mutagenic +CCN(C(=O)CCCl)c1snc2ccccc12,mutagenic +Cc1cc2CCCc2c3ccc4C(O)C(O)C5OC5c4c13,mutagenic +CC(C)C1=C(C)N(C)N(C1=O)c2ccccc2,non-mutagenic +C(SSCc1ccccc1)c2ccccc2,mutagenic +Cc1cc2cc3cc(C)c(N)cc3nc2cc1N,mutagenic +[O-][N+](=O)c1ccc2ccc3cc4CCCCc4c5ccc1c2c35,mutagenic +OCCNC(=O)N(CCCl)N=O,mutagenic +[CH2-][N+](=O)[O-],non-mutagenic +Cc1cc(N=Nc2ccccc2)c(N)cc1N,mutagenic +Cc1cc(c(C)cc1O)C2(OS(=O)(=O)c3ccccc23)c4cc(C)c(O)cc4C,non-mutagenic +CCN(CC)S(=O)(=O)c1ccc(NC(=O)C)cc1,non-mutagenic +CN(C)c1ccc2cc3ccc(cc3nc2c1)N(C)C,mutagenic +Clc1cccc2C(=O)c3c(NC(=O)c4ccccc4)cccc3C(=O)c12,mutagenic +OC(=O)C1CC=C(OP2(NP(NP(N2)(Oc3ccc(cc3)C(=O)O)Oc4ccc(cc4)C(=O)O)(Oc5ccc(cc5)C(=O)O)Oc6ccc(cc6)C(=O)O)Oc7ccc(cc7)C(=O)O)C=C1,non-mutagenic +CCCCCCCCCc1ccccc1C(CO)OS(=O)(=O)O,non-mutagenic +Oc1ccc2cc(cc(c2c1)S(=O)(=O)O)S(=O)(=O)O,non-mutagenic +IC(I)I,mutagenic +ClCBr,mutagenic +Oc1ccc(cc1)C2(NC(=O)NC2=O)c3ccccc3,non-mutagenic +CCCCC(=O)Nc1snc2ccc(Cl)cc12,non-mutagenic +C=CC(=O)OCCCCCOC(=O)C=C,non-mutagenic +CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@H]2C[C@H]1C[C@H]4NCCc5cc(OC)c(OC)cc45,non-mutagenic +CCNc1cc(O)ccc1C,mutagenic +Cc1ccc2cc3ccc4cccc5ccc(c2c1)c3c45,mutagenic +c1ccc2[nH]ccc2c1,non-mutagenic +COc1ccc(OC)cc1,non-mutagenic +O=NN1CCC[C@@H]1c2cccnc2,mutagenic +CCCCCCCCO,non-mutagenic +[O-][N+](=O)c1cccc(Cl)c1Cl,non-mutagenic +O=C\C=C\C=O,mutagenic +Nc1ccccc1N,mutagenic +Cc1cccc2c1cc(C)c3c4ccccc4ccc23,mutagenic +[O-][N+](=O)c1c2CCC=Cc2c3ccc4cccc5ccc1c3c45,non-mutagenic +O=C1N2Cc3ccccc3C(=O)N2Cc4ccccc14,non-mutagenic +[O-][N+](=O)c1ccc2Oc3ccccc3Oc2c1,mutagenic +CC1CS1,non-mutagenic +NC(=O)c1csc(c1)[N+](=O)[O-],mutagenic +c1cnc2c(c1)ccc3cccnc23,non-mutagenic +C1=Cc2c3cc4ccccc4cc3cc5cccc1c25,mutagenic +C\C=C\C,non-mutagenic +O[C@H]([C@@H]1CO1)c2ccc3OCOc3c2,mutagenic +O1C2C1c3c4ccc5ccccc5c4cc6cccc2c36,mutagenic +CC(=O)Nc1ccc(Cc2ccc(N)cc2)cc1,non-mutagenic +OC(C1CC1)(c2ccc(Cl)cc2)c3ccc(Cl)cc3,non-mutagenic +[O-][N+](=O)c1ccc2snc(Cl)c2c1,mutagenic +[O-][N+](=O)c1ccc2nc3c(cc2c1)c4cccc5cccc3c45,mutagenic +O=C1c2ccccc2Cc3ccccc13,mutagenic +Nc1ccc(Cl)c(N)c1,mutagenic +Fc1ccccn1,mutagenic +Oc1ccc2c(O)c3ccccc3cc2c1O,mutagenic +CC(=O)Nc1ccc(Oc2ccc(NC(=O)C)cc2)cc1,non-mutagenic +COC(=O)C(=C)C#N,mutagenic +O=Nc1ccc(Oc2ccccc2)cc1,mutagenic +[O-][N+](=O)c1ccccc1,non-mutagenic +O=C=S,mutagenic +NC(CSC(F)(F)C(Cl)Br)C(=O)O,mutagenic +C[C@@H](O)CN(C[C@@H](C)O)C[C@@H](C)O,non-mutagenic +CC(N(C)C)c1ccccc1,non-mutagenic +COC[C@@H](O)Cn1cc(nc1Cl)[N+](=O)[O-],mutagenic +[O-][N+](=O)c1ccc2c(cc3cccc(c3c2c1)[N+](=O)[O-])[N+](=O)[O-],mutagenic +CN(C)c1ccc(cc1)N=Nc2ccc(cc2)N(C)C(=O)C,mutagenic +[O-][N+](=O)C1=Cc2cccc3c4cc5ccccc5cc4cc1c23,mutagenic +CCCC[C@@H](CC)COC(=O)c1ccccc1C(=O)O,non-mutagenic +NNc1nc(cs1)c2ccc(N)cc2,mutagenic +Cc1ccc(NN=NCc2ccccc2)cc1,mutagenic +CCCCCCCCCCCCCCCCCC(=O)NCCCCC(NC(=O)CCC(NC(=O)C(C)NC(=O)C(C)OC(C(O)C(O)CO)C(NC(=O)C)C=O)C(=O)N)C(=O)O,non-mutagenic +C[C@H]1CO1,mutagenic +OC1=C\C(=N/c2ccc(cc2)[N+](=O)[O-])\C(=O)C=C1c3nnc(NC(=O)c4ccccc4)s3,mutagenic +Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-],mutagenic +FC(F)(F)C(=O)C(F)(F)F,non-mutagenic +CN(C)C(=O)Nc1cccc(c1)C(F)(F)F,non-mutagenic +COCCc1ccc(OCC(O)CNC(C)C)cc1,non-mutagenic +OS(=O)(=O)c1ccc2ccc3cccc4ccc1c2c34,mutagenic +CC1(CO1)c2ccc(cc2)c3ccccc3,mutagenic +OC(=O)\C(=C(/Cl)\C=O)\Cl,mutagenic +CCCCCC(=O)O,non-mutagenic +Clc1ccc2Oc3cc(Cl)ccc3Oc2c1,non-mutagenic +Nc1c(Cl)cc(cc1Cl)[N+](=O)[O-],mutagenic +CC(C)[N+](C)(CCOC(=O)C1c2ccccc2Oc3ccccc13)C(C)C,non-mutagenic +Cc1ccc2C(=O)c3ccccc3C(=O)c2c1,non-mutagenic +CC(=O)Nc1ccc(Sc2ccccc2)cc1,mutagenic +CN(CCC#N)c1ccc(cc1)N=Nc2ccc3ncsc3c2,mutagenic +ClC(=C(c1ccc(Cl)cc1)c2ccc(Cl)cc2)Cl,non-mutagenic +CCCCCCCOc1ccccc1NC(=O)OCCN2CCCCC2,non-mutagenic +OC(=O)C(F)(F)C(F)(Cl)C(F)(F)C(F)(Cl)C(F)(F)C(F)(Cl)C(F)(F)Cl,non-mutagenic +COc1ccccc1N=Nc2c(O)ccc3ccccc23,mutagenic +ON(C=O)c1ccc2ccccc2c1,mutagenic +CC(=O)c1occc1,mutagenic +CCCCNCC,non-mutagenic +[O-][N+](=O)c1ccc2cccc3c4ccccc4c1c23,mutagenic +Cn1cnc2cc(ccc12)[N+](=O)[O-],non-mutagenic +COc1ccccc1c2ccccc2,non-mutagenic +CC(C)CC(=O)CC(C)C,non-mutagenic +Brc1ccc(\C=C\C(=O)c2ccccc2)cc1,non-mutagenic +CNP1(NC)NP(NC)(NC)NP(NC)(NC)N1,non-mutagenic +Nc1ccc(CCc2ccccc2)cc1,mutagenic +CCOC(=O)Nc1cccc2c3c[nH]ccc3nc12,non-mutagenic +CC1c2ccccc2c3ccc(F)cc13,mutagenic +Nc1cccc2C(=O)c3c(N)cccc3C(=O)c12,mutagenic +CCn1c2ccccc2c3cc(N)ccc13,mutagenic +CC1C2C(=Nc3ccccc23)N(C)c4c(C)cccc14,mutagenic +CNc1ccc(NCCO)c2C(=O)c3ccccc3C(=O)c12,mutagenic +CCCCN(CCC(=O)OC)N=O,mutagenic +Nc1cc(Cl)ccc1[N+](=O)[O-],mutagenic +COCC=O,mutagenic +Cc1nc(cs1)c2oc(cc2)[N+](=O)[O-],mutagenic +CN(C)N=Nc1ccc(cc1)[N+](=O)[O-],mutagenic +Cc1ccc(C)c(NO)c1,mutagenic +N1[C@@H]2[C@H]1c3c(ccc4ccccc34)c5ccccc25,mutagenic +O=NN1CN2CN(CN(C2)N=O)C1,mutagenic +NNc1nc2ccc3nc4ccccc4c(O)c3c2s1,mutagenic +OC(=O)[C@@H](Cl)Br,mutagenic +NC(=O)C1CO1,mutagenic +COC(=O)C(C)(C)Oc1ccc(cc1)c2ccc(Cl)cc2,non-mutagenic +Nc1ccc2nc3ccc(N)cc3[s+]c2c1,mutagenic +[O-][N+](=O)c1ccc2c3ccc(cc3C(=O)c2c1)[N+](=O)[O-],mutagenic +COc1cccc2c1cc3N([C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(=O)c5cc6OCOc6c2c35,non-mutagenic +CC(=O)N[C@@H](CS)C(=O)O,mutagenic +CC1=Cc2nc3c(ccc4ccccc34)c(C)c2C(O)C1O,mutagenic +CCCCON=O,mutagenic +ClC[C@@H]1O[C@H](CCl)O[C@H](CCl)O1,mutagenic +Fc1ccc2ccccc2n1,non-mutagenic +C1CN(CCN1)c2ccccc2,non-mutagenic +COC(C)(C)C,non-mutagenic +CN(C)CCNS(=O)(=O)c1cccc2cccnc12,non-mutagenic +OC1=C(Oc2cc(O)cc(O)c2C1=O)c3ccccc3,non-mutagenic +Oc1ccccc1c2ccccc2O,non-mutagenic +COc1ccc(C=O)cc1OC,non-mutagenic +ClCc1ccc(CCl)cc1,non-mutagenic +Cc1cc(N)c(C)c2c3cc(O)ccc3[nH]c12,mutagenic +Cc1ccc(cc1)S(=O)(=O)N2N=CC(=C(Cl)C2=O)Cl,non-mutagenic +CN(COC(=O)C)[N+](=O)[O-],mutagenic +CC(C)c1c(N)ccc2c1Cc3ccccc23,mutagenic +CC1c2ccccc2c3cccc(C)c13,mutagenic +[O-][N+](=O)OCC(CO[N+](=O)[O-])O[N+](=O)[O-],mutagenic +CCOP(=S)(OCC)Oc1ccc(cc1)S(=O)C,non-mutagenic +CCCCON(OC(=O)C)C(=O)c1ccc(OC)cc1,mutagenic +Br[C@@H]1CC[C@H](Br)[C@H](Br)CC[C@@H](Br)[C@@H](Br)CC[C@H]1Br,non-mutagenic +CN(C)C(=O)\C=C\c1oc(cc1)[N+](=O)[O-],mutagenic +CN(C)CCCNc1c2ccccc2nc3cccc(c13)[N+](=O)[O-],mutagenic +O1C2C1c3c(ccc4ccccc34)c5ccccc25,mutagenic +CCN(CC)C(=O)\C(=C(\C)/OP(=O)(OC)OC)\Cl,mutagenic +NC(CS\C(=C(/Cl)\C(=C(Cl)Cl)Cl)\Cl)C(=O)O,mutagenic +COc1cc(OC)c(Cl)c(c1)N2C(=CC(=O)C(=C2c3ccc(F)cc3)C)c4ccccc4,non-mutagenic +Cc1ccc2nc3ccc(C)cc3c(N)c2c1,mutagenic +FC(F)C(F)C(F)(F)F,non-mutagenic +Cc1ccc(c(O)c1C(O)c2ncc([N+](=O)[O-])n2C)C(C)(C)C,non-mutagenic +CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C,mutagenic +CC\C=C\C=C\C=C\C=C\C=C\C=C\OCC(O)CO,mutagenic +CC(=O)Nc1cccc(N=Nc2cccc(NC(=O)C)c2C)c1C,non-mutagenic +CNC(=O)NC,non-mutagenic +CCCC[C@@H](CC)COCCC#N,non-mutagenic +CC1(C)CC(C(=O)NCCCCCCCCCCCC(=O)O)C(C)(C)N1O,non-mutagenic +Cc1cc2C(=O)CCCc2c3ccc4ccccc4c13,mutagenic +COc1cc(C=O)ccc1O,non-mutagenic +CCNS(=O)(=O)c1ccc(C)cc1,non-mutagenic +C[C@H](CCC#N)C#N,mutagenic +Cc1c2ccccc2nc3c1ccc4ccccc34,mutagenic +CC1=C(COC(=O)C2N3C(SC2(C)C)C(NC(=O)C(N)c4ccccc4)C3=O)OC(=O)O1,non-mutagenic +CC1(C)OC1COc2c3C=CC(=O)Oc3cc4occc24,non-mutagenic +CNCCCN1c2ccccc2CCc3ccccc13,non-mutagenic +[O-][N+](=O)c1ccc(Nc2ccc(Cl)cc2)cc1,mutagenic +CCOC(=O)C(=NNc1ccc(cc1)c2ccc(NN=C(C(=O)OCC)C(=O)OCC)cc2)C(=O)OCC,non-mutagenic +Cc1ccc(C)c(C)c1C,non-mutagenic +CN(N=O)C(OC(=O)C)C(=O)C,mutagenic +[O-][N+](=O)C1=Cc2cc3cc4ccccc4cc3c5cccc1c25,mutagenic +CC1=CC(=O)Oc2c3CCCN4CCCc(cc12)c34,mutagenic +Oc1cc2C(=O)c3ccccc3C(=O)c2c(O)c1C=O,non-mutagenic +CCCCCC(C)(O)\C=C\C1C(O)CC(=O)C1C\C=C\CCCC(=O)O,non-mutagenic +CC(=O)Nc1ccc(O)cc1,non-mutagenic +[O-][N+](=O)C([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-],mutagenic +CC(C)(C)OC(=O)NC(CN=N#N)C(=O)OC(C)(C)C,mutagenic +CC1SC2=C(C(=O)O)C(=O)c3cc(F)c(cc3N12)N4CCN(CC5=C(C)OC(=O)O5)CC4,non-mutagenic +OC(=O)Cc1cccc(c1)[N+](=O)[O-],non-mutagenic +Cc1cc(C)c(C)c(C)c1,non-mutagenic +CC(=O)N,non-mutagenic +OC(=O)\C(=C(/CCl)\C=O)\Cl,mutagenic +CC(=O)N1N=CC(=C(Cl)C1=O)Cl,non-mutagenic +ClCC(=O)Nc1snc2cc(Cl)ccc12,mutagenic +[O-][N+](=O)c1c(Cl)c(Cl)cc(Cl)c1Cl,non-mutagenic +CC(C)(C)c1ccc(OC[C@H]2CO2)cc1,mutagenic +ONc1cc2ccccc2[nH]1,mutagenic +Cc1cnc2c(n1)c(C)c(C)c3c2nc(N)n3C,mutagenic +CC1CN(CC(C)N1C(=O)c2ccccc2)N=O,non-mutagenic +Cc1cc(ccc1N)S(=O)(=O)O,non-mutagenic +OC(=O)c1c(O)cc2C(=O)c3ccccc3C(=O)c2c1O,non-mutagenic +Cc1cc(N)c(c(C)c1N)[N+](=O)[O-],non-mutagenic +CC(C)(C)O,non-mutagenic +CC(C)CC(=O)Nc1snc2ccc(Cl)cc12,non-mutagenic +CC(=C[C@H]1[C@H](C(=O)OCN2C(=O)C3=C(CCCC3)C2=O)C1(C)C)C,mutagenic +NCN,mutagenic +ClCC1C(CCl)C2(Cl)C(=C(Cl)C1(Cl)C2(Cl)Cl)Cl,non-mutagenic +CC[C@@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@@H](C)O2)[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@@H]([C@H]3O)N(C)C)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O,non-mutagenic +CCCCOCCOCCO,non-mutagenic +CCCCCCCCCCCCCC(=O)N(O)c1ccc2c(Cc3ccccc23)c1,mutagenic +OP(=O)(OCC(Br)CBr)OCC(Br)CBr,mutagenic +OCc1oc(C=O)cc1,mutagenic +Cn1ccc2ccc3ccc4ccc(O)cc4c3c12,mutagenic +CCCCC(CC)COC(=O)c1ccc(cc1)C(=O)OCC(CC)CCCC,non-mutagenic +C[C@@H](O)CN,mutagenic +ClN1C2C1c3ccccc3c4ccccc24,mutagenic +CCN(CCCl)CCCNc1c2ccc(Cl)cc2nc3ccc(OC)cc13,mutagenic +ClCc1ccc2c3ccccc3c4cccc1c24,mutagenic +CC1(C)SSCC(NC1=O)C(=O)O,non-mutagenic +[O-][N+](=O)c1cccc2c1oc3ccccc23,mutagenic +COc1cc2OC3OCCC3c2c4OC(=O)C5=C(CCC5=O)c14,mutagenic +[O-][N+](=O)c1ccc(cc1)C(=O)Cl,mutagenic +CC(C)NCC(O)COc1cccc2[nH]c3ccccc3c12,non-mutagenic +ClC1(Cl)C2(Cl)C3(Cl)C4(Cl)C(=O)C5(Cl)C(Cl)(C1(Cl)C35Cl)C24Cl,non-mutagenic +Oc1ccccc1C=O,non-mutagenic +OC[C@H]1O[C@@H](Oc2cccc3C(=O)c4cccc(O)c4C(=O)c23)[C@H](O)[C@@H](O)[C@@H]1O,mutagenic +CCOc1cccc(N)c1,mutagenic +CCOC[C@@H](O)COc1ccc(NC(=O)CC[S+](C)C)cc1,non-mutagenic +OC1=C(Oc2cc(O)cc(O)c2C1=O)c3ccc(O)c(O)c3,mutagenic +CC(C)(C)COC(=O)C=C,non-mutagenic +Nc1cc2c(cc1[N+](=O)[O-])[nH]c3ccccc23,mutagenic +Cc1ccc2C(=O)c3ccccc3C(=O)c2c1[N+](=O)[O-],mutagenic +Oc1ccc(Cl)c(Cl)c1,non-mutagenic +C(OCc1ccccc1)c2ccccc2,non-mutagenic +Cc1ccc(CC[C@H]2CO2)cc1,mutagenic +OC1C2OC2c3c(ccc4ccc5c6ccccc6ccc5c34)C1O,mutagenic +OC(=O)c1ccc2C(=O)OC(=O)c2c1,non-mutagenic +C[n+]1c2ccccc2c(N)c3ccccc13,mutagenic +O[C@@H]1C=Cc2c([C@H]1O)c3ccc4ccccc4c3cc2[N+](=O)[O-],mutagenic +Cc1ccc(cc1)S(=O)(=O)OCc2ccc(cc2)[N+](=O)[O-],mutagenic +O=C(\C=C\c1ccc(Oc2ccccc2)cc1)c3ccccc3,non-mutagenic +COc1ccc(C)cc1N,mutagenic +CCCCC=C,non-mutagenic +CC(=O)Nc1ccc(\C=C/c2ccccc2)cc1,mutagenic +FC(Cl)(Cl)C(F)(Cl)Cl,mutagenic +CC\C=C\CC\C=C\C=O,non-mutagenic +OC1C=Cc2c(ccc3ncccc23)C1O,non-mutagenic +CCCC[C@@H](CC)COC[C@H]1CO1,mutagenic +Oc1ccc2c(OC(=O)c3c2oc4cc(O)ccc34)c1,non-mutagenic +CCN(Cc1ccccc1)c2ccccc2,non-mutagenic +COc1ccc(cc1)C(c2ccc(OC)cc2)C(Cl)(Cl)Cl,non-mutagenic +CCCCN(C[C@@H](O)C1=CC(=[N+]=[N-])C(=O)C=C1)N=O,mutagenic +Oc1cccc(O)c1O,mutagenic +COS(=O)(=O)OC,mutagenic +CN(C)c1ccc(cc1)N=Nc2ccc3ncsc3c2,mutagenic +NN(c1ccccc1)c2ccccc2,non-mutagenic +CCN=[N+](C)[O-],non-mutagenic +[O-][N+](=O)c1ccc2c(CCc3cc4c(CCc5ccccc45)cc23)c1,mutagenic +C[C@@H]1CC[C@H](CC1)C(C)(C)OO,mutagenic +OC(=O)\C=C\C=C\C(=O)O,non-mutagenic +OC1C(O)c2cc3cc(ccc3cc2CC1=O)[N+](=O)[O-],non-mutagenic +CC(C)CCON=O,mutagenic +CCNC(=O)CCC(N)C(=O)O,non-mutagenic +CCCCC\C=C/C=C\C=O,non-mutagenic +CCCN(N=O)C(=O)N,mutagenic +CCCCCCCC\C=C/CCCCCCCC(=O)OC,non-mutagenic +Nc1ccc(F)cc1F,mutagenic +[O-][N+](=O)c1cc(cc(c1Cl)[N+](=O)[O-])C(F)(F)F,non-mutagenic +CC(C)NCC(O)COc1cccc2CC=Cc12,non-mutagenic +c1ccc2c(c1)ccc3c2ccc4cccnc34,mutagenic +CN(C(=O)CCl)c1snc2ccccc12,non-mutagenic +CCCCCCCCS(=O)[C@H](C)Cc1ccc2OCOc2c1,non-mutagenic +CCCCC(=C)C=O,mutagenic +Nc1ccc(Sc2ccc(N)cc2)cc1,mutagenic +COc1ccc(N)c(OC)c1,mutagenic +CN(C)C(=O)C,non-mutagenic +COc1cc2O[C@H]3OC=C[C@H]3c2c4OC(=O)C5=C([C@@H](Cl)[C@@H](Cl)C5=O)c14,mutagenic +OC1C(O)c2ccc(c3c4ccccc4c5cccc1c5c23)[N+](=O)[O-],mutagenic +OC1C(Oc2cccc3c4ccc5cccc6ccc(cc23)c4c56)OC(C(O)C1O)C(=O)O,non-mutagenic +CCN(CC)CCOc1ccc2c(c1)C(=O)c3cc(OCCN(CC)CC)ccc23,mutagenic +C1COCCOCCOCCOCCOCCO1,non-mutagenic +CCOC(=O)C[C@@H](SP(=O)(OC)OC)C(=O)OCC,non-mutagenic +O=C1C(C(=O)c2ccccc12)c3ccc4ccccc4n3,mutagenic +CC(=O)O,non-mutagenic +Cc1ccc(cc1N)N=Nc2ccc(C)c(N)c2,mutagenic +ClC1=C(Cl)C(Cl)(Cl)C(=C1Cl)Cl,non-mutagenic +CCN(CC)CC,non-mutagenic +BrCc1cccc2c3cccc4cccc(c12)c34,mutagenic +Nc1nc(N)c2ncn(CC(O)CN=N#N)c2n1,mutagenic +O=C=NC1CCCCC1,non-mutagenic +C=CC(=O)OCCCCCCOC(=O)C=C,non-mutagenic +O=C1N(CC2CO2)Sc3cc(OCC4CO4)ccc13,mutagenic +CCCNC(=O)NS(=O)(=O)c1ccc(Cl)cc1,non-mutagenic +Oc1ccc(C=O)cc1,non-mutagenic +CCCSSCC=C,non-mutagenic +OC(Nc1snc2ccccc12)C(Cl)(Cl)Cl,non-mutagenic +CC(Cc1ccc(O)c(O)c1)(NN)C(=O)O,mutagenic +Brc1c(Br)c(Br)c(Oc2c(Br)c(Br)c(Br)c(Br)c2Br)c(Br)c1Br,non-mutagenic +Nc1cc(Cl)cc(c1O)S(=O)(=O)O,non-mutagenic +c1ccc2c(c1)c3nc4ccccc4c5c6ccccc6nc2c35,non-mutagenic +C1CCCC1,non-mutagenic +ClC(Cl)C(Cl)(Cl)Cl,non-mutagenic +Cc1ccc(NO)c(C)c1,mutagenic +CSSC,non-mutagenic +COc1cccc2c(OC)c3ccoc3nc12,mutagenic +Cc1cccc(C)c1C,mutagenic +Oc1cccc2Oc3cc4OC5OC=CC5c4c(O)c3C(=O)c12,non-mutagenic +N[C@H](Cc1ccc(F)cc1)C(=O)O,non-mutagenic +NC(CSC(F)(F)C(Br)Br)C(=O)O,mutagenic +Oc1cc2C(=O)Oc3c(O)c(O)cc4C(=O)Oc(c1O)c2c34,non-mutagenic +C[C@@H]1O[C@@H](O[C@H]2C[C@](O)(CO)Cc3c(O)c4C(=O)c5ccccc5C(=O)c4c(O)c23)[C@H](I)[C@H](O)[C@@H]1O,mutagenic +COc1nncc2cccnc12,non-mutagenic +Cc1c2ccncc2c(C)c3c4cc(N)ccc4[nH]c13,mutagenic +COc1cc(ccc1N=Nc2cc(c3ccccc3c2O)S(=O)(=O)O)c4ccc(N=Nc5c(O)c6ccc(N)cc6cc5S(=O)(=O)O)c(OC)c4,mutagenic +CSc1ncnc2c1ncn2CC(O)CN=N#N,mutagenic +COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC,non-mutagenic +BrCCC(=O)N1CCN(CC1)C(=O)CCBr,mutagenic +Clc1ccc(cc1)c2oc3ccccc3n2,non-mutagenic +OC1CCCCC1,non-mutagenic +[O-][N+](=O)c1cc(ccc1F)N=N#N,mutagenic +OC(=O)c1cc2OCOc2c3c4ccccc4cc(c13)[N+](=O)[O-],mutagenic +CCCCN(CC)CC,non-mutagenic +CC(C)COC(=O)C(=C)C,non-mutagenic +Clc1ccc(c(Cl)c1)C(Cl)(Cl)Cl,mutagenic +Oc1cc2c3ccccc3cc4ccc5cccc1c5c24,mutagenic +O[C@H]1C=Cc2ccc3nc4ccc5ccccc5c4cc3c2[C@@H]1O,mutagenic +CC(C)C(NC(=O)C)C(=O)N(CC(=O)O)N=O,mutagenic +[O-][N+](=O)c1ccccc1Nc2ccccc2,non-mutagenic +Oc1ccc(Cl)cc1Cl,non-mutagenic +C[C@@H]1CN(N=O)[C@@H](C)CN1N=O,mutagenic +ClC(=O)c1ccc(Cl)cc1,non-mutagenic +Oc1ccccc1C(=O)OCc2ccccc2,non-mutagenic +OS(=O)(=O)c1ccc(NN=Nc2ccc(cc2)S(=O)(=O)O)cc1,non-mutagenic +ClC(=O)CCc1ccccc1,mutagenic +Nc1ccc2c(N)c3ccccc3nc2c1,mutagenic +NCC(=O)NCC(=O)NCC(=O)NCC(=O)O,non-mutagenic +CCc1ccc2C(=O)c3ccccc3C(=O)c2c1[N+](=O)[O-],mutagenic +FC(C(F)(F)F)C(F)(F)F,non-mutagenic +CC(Br)(CCl)CBr,non-mutagenic +Nc1ccc(cc1)N=Nc2ccc(N)cc2,mutagenic +CC(=O)CC(=O)Nc1ccccc1,non-mutagenic +c1ccc2c(c1)c3ccc4ccc5cccc6cc2c3c4c56,mutagenic +[O-][N+](=O)c1cc(cs1)C(=O)Nc2ccccc2F,mutagenic +[O-][N+](=O)c1ccc2ccc3c4c(ccc1c24)c5ccccc5[n+]3[O-],mutagenic +[O-][N+](=O)c1cc(cs1)C(=O)Nc2ccc(Br)cc2,mutagenic +ClC\C=C\CCl,mutagenic +ONc1ccc2c(Cc3ccccc23)c1,mutagenic +Cc1ccccc1Br,non-mutagenic +OCCN=N#N,mutagenic +Nc1ccc(N)cc1,mutagenic +CC(=O)c1c(O)cc(O)c2C(=O)c3c(O)cc(O)cc3C(=O)c12,non-mutagenic +Oc1ccc(cc1[N+](=O)[O-])c2ccccc2,non-mutagenic +CN(Cc1ccc(cc1)[N+](=O)[O-])N=O,mutagenic +Nc1ccc(N)c2C(=O)c3c(N)ccc(N)c3C(=O)c12,mutagenic +Oc1cccc(Cl)c1Cl,non-mutagenic +[O-][N+](=O)c1ccccc1C(=O)Cl,mutagenic +CCNC(=O)Nc1ccc(OCC(O)CNC(C)(C)C)c(c1)C(=O)C,non-mutagenic +Nc1nc2c(Cl)cccc2s1,non-mutagenic +CC(C)c1cc(N)c(cc1N)[N+](=O)[O-],mutagenic +[O-][N+](=O)c1cc(cs1)C(=O)Nc2ccccc2Cl,mutagenic +CCn1c(N)nc2c3ncc(C)nc3ccc12,mutagenic +CCCCCCN(N=O)C(=N)N[N+](=O)[O-],mutagenic +Nc1ccc(\C=C\c2ccc(cc2)[N+](=O)[O-])cc1,mutagenic +CC(OP(=O)(C)Cl)C(C)(C)C,non-mutagenic +CC(C)(C)C1=CC(=O)C=CC1=O,mutagenic +CCCCON(OC(=O)C)C(=O)c1ccc(Br)cc1,mutagenic +CC1c2ccccc2c3c(C)cccc13,mutagenic +Cc1cc2ccccc2c3ccc4C(=O)C(=O)C=Cc4c13,mutagenic +CN(CCO)CCO,non-mutagenic +C\C=C/C=C\C(=O)O,non-mutagenic +C[C@@H]1CCc2c1ccc3c2ccc4ccccc34,mutagenic +Sc1nc2ccccc2[nH]1,non-mutagenic +[O-][N+](=O)c1ccc(N\N=C(\N=Nc2ccc(I)cc2)/c3ccccc3)cc1,non-mutagenic +[O-][n+]1cccc2C=CC3OC3c12,non-mutagenic +ON1c2ccccc2\C(=N/c3ccccc3)\C1(c4ccccc4)c5ccccc5,non-mutagenic +Cc1ccc2cc(C)c3c4C5OC5C(O)C(O)c4ccc3c2c1,mutagenic +C[N+](C)(C)NCCC(=O)O,non-mutagenic +[O-][N+](=O)C1=Cc2cccc3cccc(O1)c23,mutagenic +BrCCC(Br)Br,mutagenic +CC1=CC(=O)C(=CC1=O)C,non-mutagenic +Cc1ccc(NC2OC[C@@H](O)[C@H](O)[C@H]2O)cc1,mutagenic +OC(CC(=O)OCCBr)C(=O)OCCBr,mutagenic +CC(=O)OCc1c2ccccc2c(C)c3ccc4ccccc4c13,mutagenic +CCSC(=O)Cl,non-mutagenic +CCN(CC)c1ccccc1,non-mutagenic +OC1(O)C(=O)c2ccccc2C1=O,non-mutagenic +CCCCN(N=O)C(=O)N,mutagenic +CN1CCC(=CC1)c2ccccc2,non-mutagenic +[O-][N+](=O)c1oc2cc(ccc2c1)N(CCCl)CCCl,mutagenic +CN(\C=N\C=N\c1ccc(C)cc1C)c2ccc(C)cc2C,non-mutagenic +CCC1(O)CC(OC2CC(C(O)C(C)O2)N(C)C)c3c(O)c4C(=O)c5c(O)cccc5C(=O)c4cc3C1C(=O)OC,mutagenic +COc1ccccc1NC(=O)[C@H](N=Nc2ccc(cc2OC)[N+](=O)[O-])C(=O)C,non-mutagenic +OC1C=Cc2cc3ccc(cc3cc2C1O)[N+](=O)[O-],mutagenic +CC(=O)CN(COC(=O)C)N=O,mutagenic +COc1ccc(cc1)\C(=C/C(=O)O)\Br,mutagenic +C[C@H](CCl)O[C@H](C)CCl,mutagenic +Cc1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1,non-mutagenic +COC(=O)c1ccc(C)cc1,non-mutagenic +CC(=O)OCc1occc1,mutagenic +CC(C)(C)OOC(C)(C)c1cccc(c1)C(C)(C)OOC(C)(C)C,non-mutagenic +CNS(=O)(=O)c1ccc(N)cc1,non-mutagenic +Cc1cccc2c(C)c3ccc4ccccc4c3nc12,mutagenic +CCc1ccccc1N,non-mutagenic +O1C=CC=Cc2c1c3ccccc3c4cc5ccccc5cc24,mutagenic +C1Cc2cc3ccc4cccc5ccc(c2C=C1)c3c45,mutagenic +[O-][N+](=O)c1ccc(cc1)N=Nc2ccccc2,mutagenic +CC(=CCCC(=C)C=C)C,non-mutagenic +Cc1cc(C)cc(c1)[N+](=O)[O-],mutagenic +Oc1cc(O)c2C(=O)c3ccccc3C(=O)c2c1O,mutagenic +CCCOC(=O)c1cc(O)c(O)c(O)c1,non-mutagenic +ClCCN(CCCl)c1ccc2ccccc2c1,mutagenic +Cc1ccc(cc1)N(CC2(O)OCC(O)C(O)C2O)N=O,mutagenic +Cc1ccc(cc1N=C=O)N=C=O,mutagenic +ClC(=C)C#N,non-mutagenic +COc1ccc2c3CCN=C(C)c3[nH]c2c1,non-mutagenic +COc1cccc(\C=C\c2ccc(N)cc2)c1,mutagenic +CCN(CCO)N=O,mutagenic +Cn1c(N)nc2cc(Cl)ccc12,mutagenic +Cc1c(cccc1[N+](=O)[O-])C(=O)O,mutagenic +NC(CCC(=O)NC(CSC(=O)NCCCCl)C(=O)NCC(=O)O)C(=O)O,mutagenic +Nc1nc(O)nc2c1ncn2C3CC(O)C(CO)O3,non-mutagenic +Oc1ncnc2ccccc12,non-mutagenic +ClC(Cl)C(=C(Cl)Cl)C=O,mutagenic +CC(=O)OCc1ccc2OCOc2c1,non-mutagenic +OC(=O)\C(=C(\C(Cl)Cl)/C(=O)O)\Cl,mutagenic +OCc1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1,mutagenic +Nc1ccc2sncc2c1,mutagenic +Nc1[nH]c(nc2ncnc12)c3ccc(cc3)[N+](=O)[O-],mutagenic +Sc1nc2ccccc2s1,non-mutagenic +BrC[C@](Br)(CCC#N)C#N,non-mutagenic +COc1ccc(cc1)N=[N+]([O-])c2ccc(OC)cc2,mutagenic +COP(=S)(OC)Oc1ccc(c(C)c1)[N+](=O)[O-],mutagenic +CCOc1ccc(cc1)[N+](=O)[O-],mutagenic +NCCCC[C@H](N[C@@H](CCc1ccccc1)C(=O)O)C(=O)N2CCC[C@H]2C(=O)O,non-mutagenic +Nc1cc(Cl)c(cc1Cl)c2cc(Cl)c(N)cc2Cl,mutagenic +ClCCN(N=O)C(=O)NC1CCCCC1,mutagenic +CN(C)c1ccc(cc1)N=Nc2ccccc2C,non-mutagenic +[O-][N+](=O)c1ccc2ccc3c(c4ccccc4c5ccc1c2c35)[N+](=O)[O-],mutagenic +[O-][N+](=O)c1ccc2Oc3ccc(cc3Oc2c1)[N+](=O)[O-],mutagenic +O[C@@H]1[C@@H]2O[C@@H]2c3c(ccc4c5cccc6cccc(c34)c56)[C@H]1O,mutagenic +Nc1ccc(c(Cl)c1)c2ccc(N)cc2Cl,mutagenic +CC12CCCC(C)(C1CCC34CC(=C)C(O)(CCC23)C4)C(=O)O,mutagenic +O=C1C=CC(=O)N1c2ccc(Cc3ccc(cc3)N4C(=O)C=CC4=O)cc2,non-mutagenic +CCCC[C@H](CC)C(=O)O,non-mutagenic +Cc1ccc(OP(=O)(Oc2ccc(C)cc2C)Oc3ccc(C)cc3C)c(C)c1,non-mutagenic +CCCCCCCCCCCCCOC(=O)C[N+](CC)(CC)CC,non-mutagenic +COC(=O)c1ccc(C=O)cc1,non-mutagenic +CC(O)C1C2SC(=C(N2C1=O)C(=O)O)C3CCCO3,non-mutagenic +ClC1=CC(=O)C(Cl)(Cl)C1=O,mutagenic +CC1(C)CCCC2(C)C1CCC3(C)C2CC=C(C=O)C3C=O,non-mutagenic +Cn1c(N=N#N)nc2ccccc12,mutagenic +CN(C)CCN(Cc1ccc(O)cc1)c2ccccn2,non-mutagenic +CC1Cc2ccc(C(=O)NC(Cc3ccccc3)C(=O)O)c(O)c2C(=O)O1,non-mutagenic +OC(=O)CC(O)(CC(=O)O)C(=O)O,non-mutagenic +[O-][N+](=O)c1csc(c1)c2csc(NC=O)n2,mutagenic +CCC(=O)\C=C\C1C(=CCCC1(C)C)C,non-mutagenic +N(Nc1ccccc1)c2ccccc2,mutagenic +CCCCCOc1cccc(NC(=O)OC2CCCCC2N3CCCC3)c1,non-mutagenic +CCCN(CCC)CCC,non-mutagenic +ClC(=C1CC(=O)NC1=O)Cl,mutagenic +CC(C)C(N)C(=O)O,non-mutagenic +CCCCCC(=O)OCC=C,non-mutagenic +Nc1cccc(c1)C(F)(F)F,non-mutagenic +COc1cc(ccc1NC(=O)C)[N+](=O)[O-],mutagenic +CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC4([C@@H]5C[C@@H](Br)CC[C@]5(C)[C@@H]3CC[C@]12C)S(=O)(=O)CCS4(=O)=O,mutagenic +CNS(=O)(=O)c1ccc(NC(=O)C)cc1,non-mutagenic +CC1=CN([C@@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)C(=O)NC1=O,mutagenic +[O-][N+](=O)c1cc(c2c3CCCCc3c4cccc5ccc1c2c45)[N+](=O)[O-],mutagenic +CN(N=O)c1ccncc1,non-mutagenic +COC1=C[C@@H]2[C@@H]3Cc4ccc(OC)c(O)c4[C@]2(CCN3C)CC1=O,non-mutagenic +CNC(=O)O\N=C/C(C)(C)SC,non-mutagenic +CC(=O)Nc1snc2ccccc12,mutagenic +C=CCN(CC=C)C1C(N2C3C2c4ccccc4c5ccccc35)c6ccccc6c7ccccc17,non-mutagenic +CC(=O)c1oc(c(Cl)c1Cl)[N+](=O)[O-],mutagenic +CC(O)C(NC(=O)C(C)C(O)C(C)NC(=O)C(NC(=O)c1nc(nc(N)c1C)C(CC(=O)N)NCC(N)C(=O)N)C(OC2OC(CO)C(O)C(O)C2OC3OC(CO)C(O)C(OC(=O)N)C3O)c4c[nH]cn4)C(=O)NCCc5nc(cs5)c6nc(cs6)C(=O)NCCc7c[nH]cn7,mutagenic +[O-][N+](=O)c1cc(cs1)C(=O)Nc2ccc(F)cc2,mutagenic +OC(=O)\C(=C(/CCl)\C(=O)O)\Cl,non-mutagenic +CCCNc1snc2ccccc12,non-mutagenic +Cn1c(N)nc2cc(ccc12)C#N,mutagenic +O=C(NCc1ccccc1)C2CO2,mutagenic +Cn1cncc1[N+](=O)[O-],mutagenic +O=S1(=O)OCCCO1,mutagenic +OC(=O)Cc1ccc(Cl)cc1,non-mutagenic +CN(C)c1cccc(O)c1,mutagenic +Nc1c2ccccc2cc3ccccc13,mutagenic +[O-][N+](=O)c1ccc(cc1)S(=O)(=O)Cl,mutagenic +CCc1cccc(CC)c1N,mutagenic +Cc1cc2ccccc2cc1[N+](=O)[O-],non-mutagenic +CC(=O)OC1COC(Nc2ccc(cc2)[N+](=O)[O-])C(OC(=O)C)C1OC(=O)C,mutagenic +CC1(CO)C(O)CCC2(C)C1CCC3CC4CC23CCC4(O)CO,non-mutagenic +CCC(=O)NCc1ccccc1,non-mutagenic +C[C@@H](Cl)CCl,mutagenic +OC(=O)[C@H]1[C@@H](C(=O)O)[C@@]2(Cl)C(=C(Cl)[C@]1(Cl)C2(Cl)Cl)Cl,non-mutagenic +ClC1(Cl)C(=O)C=CC1=O,mutagenic +CNC(=O)N(O)C(=O)NC,non-mutagenic +BrCC#N,non-mutagenic +[O-][N+](=O)c1ccc(s1)c2nc(N3CCOCC3)c4ccccc4n2,mutagenic +C\C=N/O,mutagenic +Fc1ccc(CN2C3C2c4ccccc4c5ccccc35)cc1,mutagenic +C(COCC1CO1)OCC2CO2,mutagenic +Nc1cc(cc2cc(c(N=Nc3ccccc3)c(O)c12)S(=O)(=O)O)S(=O)(=O)O,non-mutagenic +[O-][N+](=O)c1ccc(Nc2ccccc2)cc1,non-mutagenic +O=C1C=Cc2c(ccc3c2ccc4ccccc34)C1=O,non-mutagenic +CC(=O)N(OC(=O)c1ccccc1)c2ccc3c(Cc4ccccc34)c2,mutagenic +NC[C@@H]1CC[C@H](CC1)C(=O)c2ccc(CCC(=O)O)cc2,non-mutagenic +Cn1cc(CC2(O)C(=O)CC3C(O)COC23O)c4ccccc14,mutagenic +CCC(=O)C(=O)CC,mutagenic +ClCCSCCCl,mutagenic +CS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc4ccc(cc24)N=N#N)cc1,mutagenic +CCOP(=S)(OCC)Oc1cnc2ccccc2n1,non-mutagenic +CCCCOC(=O)COc1cc(Cl)c(Cl)cc1Cl,non-mutagenic +CCCC(=O)Nc1ccc(OC[C@H](O)CNC(C)C)c(c1)C(=O)C,non-mutagenic +[O-][N+](=O)c1ccc(\C=C\c2cccc(c2)[N+](=O)[O-])cc1,mutagenic +OC(=O)c1ccc(\C=C\c2oc(cc2)[N+](=O)[O-])cc1,mutagenic +Oc1cc(O)c2ccccc2c1,mutagenic +C\C(=C\c1ccccc1)\C=O,non-mutagenic +Cc1cc2[nH]c(C)nc2c3c1ccc4ccc(O)cc34,mutagenic +Cc1cc(O)c2C(=O)c3c(O)ccc(O)c3C(=O)c2c1O,mutagenic +COc1ccc2cc(ccc2c1)C(C)C(=O)O,non-mutagenic +COc1ccc2[C@H](OC(=O)c2c1OC)[C@@H]3N(C)CCc4cc5OCOc5cc34,non-mutagenic +C\C(=C(\Cl)/C(=O)O)\C(=O)O,non-mutagenic +Cc1cc(Cl)ccc1O,non-mutagenic +CC(C)CCCC(C)C1CCC2C3CC=C4CCCCC4(C)C3CCC12C,non-mutagenic +Cc1nn(C)c(N)c1C(=O)c2ccccc2F,mutagenic +C1C\C=C\CCC2OC2CC\C=C/1,non-mutagenic +Nc1c2[nH]cnc2nc[n+]1[O-],mutagenic +CC(=O)Nc1ccc(cc1)S(=O)(=O)c2ccc(N)cc2,non-mutagenic +COc1ccc2c(c1)c3cc(OC)ccc3c4c5ccc(OC)cc5c6cc(OC)ccc6c24,mutagenic +Nc1ccc(Cl)cc1Cl,mutagenic +CCCCCCCCCCCCCCCCCCCCCCCCCCCCO,non-mutagenic +CC(=C)C#N,non-mutagenic +CN,non-mutagenic +NCCc1c[nH]c2ccccc12,non-mutagenic +CC1=Nc2ccccc2C1(C)C,non-mutagenic +CS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc4cc(ccc24)N=N#N)cc1,mutagenic +BrC\C=C/CBr,mutagenic +CCCCN1C2C1c3ccccc3c4ccccc24,mutagenic +Nc1snc2cc(Cl)ccc12,mutagenic +CO\N=C(/C(=O)NC1C2SCC(=C(N2C1=O)C(=O)O)C[n+]3ccn4ncccc34)\c5nsc(N)n5,non-mutagenic +CC[C@@H](C)ON=O,mutagenic +CC(C)C(=O)Nc1ccccc1,non-mutagenic +Cc1cc(C)c2nsnc2c1[N+](=O)[O-],mutagenic +Nc1cc(Cl)ccc1Cl,non-mutagenic +[O-][N+](=O)c1ccccc1\C=C\c2ccccn2,mutagenic +Cc1nc2c(ccc3ccc4ccc(O)cc4c23)n1C,mutagenic +CCOc1ccccc1OCC2CNCCO2,non-mutagenic +CCC\C=C\C(=O)OC1C(C)(C)CC2C1(O)C=C(C=O)C34CC23C(=O)OC4O,mutagenic +COc1cc2O[C@H]3OC=C[C@H]3c2c4OC(=O)C5=C(CC[C@@H]5O)c14,mutagenic +C1c2ccccc2Cc3c1c4ccccc4c5ccccc35,mutagenic +OCC12COC(N1C(OC2)c3ccc(cc3)[N+](=O)[O-])c4ccc(cc4)[N+](=O)[O-],mutagenic +CCN(CCO[N+](=O)[O-])[N+](=O)[O-],mutagenic +CN(Cc1cnc2nc(N)nc(N)c2n1)c3c(Cl)cc(cc3Cl)C(=O)N[C@@H](CCC(=O)O)C(=O)O,non-mutagenic +Nc1cc(cc(Cl)c1O)[N+](=O)[O-],mutagenic +Cc1cc2C(=O)c3cc(O)cc(O)c3C(=O)c2c(O)c1O,mutagenic +Cc1cccc2cc3c(ccc4ccccc34)cc12,mutagenic +Cc1cc2CCCc2c3ccc4ccccc4c13,non-mutagenic +CON(C)C(=O)Nc1ccc(Br)cc1,non-mutagenic +CC(=O)c1cc(NC(=O)Nc2ccc(OCC(O)CNC(C)(C)C)c(c2)C(=O)C)ccc1OCC(O)CNC(C)(C)C,non-mutagenic +Nc1ccc(cc1Cl)[N+](=O)[O-],mutagenic +Cn1c2ccc3ccccc3c2c4c5ccccc5ccc14,mutagenic +Clc1cnc2ccccc2c1,non-mutagenic +COP(=S)(OC)Oc1ccc(cc1)[N+](=O)[O-],mutagenic +C1CCC2CC3(CCC2C1)CO3,non-mutagenic +Oc1ccc(cc1)C2Oc3ccc4cc3C2C(=O)N5CCCCNCCCNC4CC(=O)NCCC5,mutagenic +Cc1nnc(O)nc1O,non-mutagenic +Clc1ccc(COC(=O)c2cccc3cccnc23)c(Cl)c1,non-mutagenic +OCC(O)C(O)C(O)C(O)C=O,non-mutagenic +Oc1cc2ccccc2c3ccccc13,mutagenic +CC1(C)CC(N)CC(C)(CN)C1,non-mutagenic +OC(=O)CCCCCCCCC(=O)O,non-mutagenic +Nc1ccc(O)c(N)c1,mutagenic +OC1CCC(O)(CN(N=O)C(C(=O)O)C(=O)O)C(O)C1O,non-mutagenic +OC1C(O)c2c(Br)c3ccccc3cc2c4ccccc14,non-mutagenic +CN(C)CCNC(=O)c1ccc2nc3ccccc3c(N)c2c1,non-mutagenic +Cc1ccc2[nH]c(N)nc2c1,mutagenic +Nc1cc(cnc1O)c2ccncc2,non-mutagenic +ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]4C[C@H](C=C4)[C@@H]3[C@]1(Cl)C2(Cl)Cl,non-mutagenic +CN(CCO[N+](=O)[O-])[N+](=O)[O-],mutagenic +Cc1c2ccccc2c(CBr)c3c1ccc4ccccc34,mutagenic +Cc1ccc(C)c2c1ccc3ccccc23,mutagenic +C1CCc2c(C1)ccc3nc4ccc5ccccc5c4cc23,mutagenic +CC(=O)[C@@H](N=Nc1ccc(cc1Cl)c2ccc(N=N[C@H](C(=O)C)C(=O)Nc3ccccc3)c(Cl)c2)C(=O)Nc4ccccc4,non-mutagenic +CNC(=O)N(C)c1nc2ccccc2s1,non-mutagenic +COC1=CC=CC=CC1,mutagenic +CC(C)N1C(=O)c2ccccc2NS1(=O)=O,non-mutagenic +CC(CN=N#N)c1ccccc1,mutagenic +NP(=O)(O)N(CCCl)CCCl,mutagenic +O=C1Nc2cc3ccccc3c4c5OCOc5cc1c24,mutagenic +CN(C)CCCNc1c2ccccc2nc3cc(ccc13)[N+](=O)[O-],mutagenic +CCc1cccc2c3CCOC(C)(CC)c3[nH]c12,non-mutagenic +Cc1ccccc1C=O,non-mutagenic +CC1=CC(=O)Oc2cc(O)ccc12,non-mutagenic +CS(=O)(=O)C,non-mutagenic +CN(N=O)C(=O)Oc1cccc2ccccc12,mutagenic +Cc1ccc2C(=O)c3c(cccc3[N+](=O)[O-])C(=O)c2c1[N+](=O)[O-],mutagenic +CCN1N=C(C(=O)O)C(=O)c2cc3OCOc3cc12,mutagenic +Cc1cc(N)ccc1c2ccc(O)cc2,mutagenic +Clc1ccc(COC(=O)c2cccc3cccnc23)cc1,non-mutagenic +Cc1c2ccccc2c(CCl)c3ccccc13,mutagenic +C[C@@]12CCC3[C@@](CCC4[C@@]3(C)CCC[C@@]4(C)C(=O)O)(CC1=O)C2,non-mutagenic +c1ccc2c(c1)c3cc4ccccc4c5cc6ccccc6c2c35,mutagenic +CC(=O)Nc1cccc(N=[N+]([O-])c2cccc(NC(=O)C)c2C)c1C,non-mutagenic +Cc1ccc(\C=C\c2ccc(N)cc2)cc1,mutagenic +Cc1cc(ccc1[N+](=O)[O-])[N+](=O)[O-],mutagenic +Clc1ccc(cc1)S(=O)(=O)c2cc(Cl)c(Cl)cc2Cl,non-mutagenic +[O-][N+](=O)c1ccc2nc3ccc(cc3nc2c1)[N+](=O)[O-],mutagenic +ClC#N,non-mutagenic +c1ccc2cc3c(ccc4c5ccccc5ccc34)cc2c1,non-mutagenic +CC(C)COP(=S)(OCC(C)C)SCCl,non-mutagenic +[O-][N+](=O)c1oc2c(c1)cc3ccc4cccc5ccc2c3c45,mutagenic +CN(C)P(=O)(N(C)C)N(C)C,non-mutagenic +OC1C=Cc2cc3ccc4ccc(c5ccc(c2C1O)c3c45)[N+](=O)[O-],mutagenic +Oc1ccc2cc3ccc4cccc5ccc(c2c1)c3c45,mutagenic +CC(=O)\C=C\c1occc1,non-mutagenic +CNC(=S)N(C)C,non-mutagenic +C\C(=C(\OCCOc1ccc(Cl)cc1)/c2ccc(Cl)cc2Cl)\n3ccnc3,non-mutagenic +Cc1ccc2c(C)c3ccc4C(O)C(O)C=Cc4c3nc2c1,mutagenic +O=C(OC1CCCCC1)c2ccccc2C(=O)OC3CCCCC3,non-mutagenic +O=C(C1OC1c2ccccc2)c3ccc(cc3)c4ccccc4,non-mutagenic +Cn1c2ccccc2c3cc(ccc13)[N+](=O)[O-],mutagenic +Nc1nc(O)nc2c1ncn2C3OC(CO)C(O)C3O,non-mutagenic +Cc1ccc2cccnc2c1,mutagenic +OC(=O)Cc1ccc(cc1)[N+](=O)[O-],mutagenic +CC(C)c1c(C(=O)Nc2ccccc2)c(c3ccccc3)c(c4ccc(F)cc4)n1CCC(O)CC(O)CC(=O)O,non-mutagenic +CC(=O)Nc1ccc(\C=N\n2nnc3ccnc3c2O)cc1,mutagenic +CC(=O)c1cc(NC(=O)N)ccc1OC[C@H](O)CNC(C)(C)C,mutagenic +OC1COC(C(O)C1O)N(N=O)c2ccc(cc2)C(=O)O,mutagenic +CCOP(=O)(NC(C)CC)Oc1cc(C)ccc1[N+](=O)[O-],non-mutagenic +NCCc1cc(O)c(O)cc1O,mutagenic +OC(=O)COc1ccccc1,non-mutagenic +CC(=O)OCC=C,mutagenic +[O-][N+](=O)c1ccccc1Br,mutagenic +CCSC(=O)N1CCCCCC1,non-mutagenic +COC(=C1C(C(=C(C)N=C1C)C(=O)OC)c2ccccc2[N+](=O)[O-])O,non-mutagenic +Nc1nc(nc2c1ncn2C3CC(O)C(CO)O3)c4ccc(cc4)[N+](=O)[O-],mutagenic +ClCc1ccc(cc1)C#N,non-mutagenic +ClCCOP(OCCCl)OCCCl,mutagenic +CN(C)c1ccc(cc1)C(=O)c2ccc(cc2)N(C)C,mutagenic +Oc1ccc(\C=N\n2nnc3c4ccccc4nc3c2O)cc1,mutagenic +Nc1cc2c(O)c(N=Nc3ccc(N=Nc4ccc(cc4)S(=O)(=O)O)c5ccc(cc35)S(=O)(=O)O)c(cc2cc1S(=O)(=O)O)S(=O)(=O)O,non-mutagenic +CCS(=O)CCSP(=O)(OC)OC,mutagenic +COP(=S)(OC)SCC(=O)N(C)C=O,non-mutagenic +Oc1ccc(cc1)C2=CC(=O)c3c(O)cc(O)cc3O2,non-mutagenic +Cc1ccc(cc1C(=O)O)[N+](=O)[O-],mutagenic +OC1C=Cc2cc3cc(ccc3cc2C1O)[N+](=O)[O-],mutagenic +COP(=S)(OC)Oc1ccc(N)c(C)c1,mutagenic +C[CH-][N+](=O)[O-],non-mutagenic +CC(C)(C)OC(=O)\C=C\c1oc(cc1)[N+](=O)[O-],mutagenic +COc1ccc(C=O)cc1,non-mutagenic +c1cc2ccc3ccnc4ccc(c1)c2c34,mutagenic +COP(=O)(OC)O\C(=C/Cl)\c1cc(Cl)c(Cl)cc1Cl,non-mutagenic +Cc1cnc2ccccc2c1,mutagenic +COc1cc(ccc1N)N=Nc2ccccc2,mutagenic +Cc1ccc2ccccc2c1[N+](=O)[O-],mutagenic +OCC(Br)(CO)[N+](=O)[O-],non-mutagenic +OC(=O)\C=C\c1oc(cc1)[N+](=O)[O-],mutagenic +CCc1ccccc1O,non-mutagenic +CCc1cccc(CC)c1NC(=O)CO,mutagenic +C(Oc1nsc2ccccc12)C3CO3,mutagenic +CC[C@H](C)[C@@H]1NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](CCSC)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CSSC[C@@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H](CCC(=O)N)NC(=O)[C@@H](C)NC(=O)CNC1=O)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CO)C(=O)N[C@H](Cc3ccccc3)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc4ccc(O)cc4)C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](CO)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CO,non-mutagenic +C1COC1,mutagenic +CCN(CC)CCNc1ccc(COC(=O)c2occc2)c3Sc4ccccc4C(=O)c13,mutagenic +ClCC(=C)Cl,mutagenic +COCC1CN(C)C2Cc3cn(C)c4cccc(C2=C1)c34,mutagenic +C[C@@H](CCN(C)C)N(C)C,non-mutagenic +OC(=O)CCC(=O)Nc1cc(Cl)cc(Cl)c1,non-mutagenic +CN(C)\C=N\c1ccc(Cl)cc1C,non-mutagenic +Cc1c(cccc1[N+](=O)[O-])N=O,non-mutagenic +Nc1ccc(cc1[N+](=O)[O-])c2ccc(N)c(c2)[N+](=O)[O-],mutagenic +CCC1(O)CC(OC2CC(C(OC3CC(O)C(OC4CCC(=O)C(C)O4)C(C)O3)C(C)O2)N(C)C)c5c(O)c6C(=O)c7c(O)cccc7C(=O)c6cc5C1C(=O)OC,mutagenic +Nc1n[nH]c(N)n1,non-mutagenic +Nc1ccc2cc3ccccc3nc2c1,mutagenic +CCN1C=C(C(=O)O)C(=O)c2cc3OCOc3cc12,mutagenic +Oc1c2nc3ccccc3c2nnn1\N=C\c4ccc(cc4)c5ccccc5,non-mutagenic +CCCCCCCCCC,non-mutagenic +CN(C)CCCNc1c2ccccc2nc3ccc(cc13)[N+](=O)[O-],mutagenic +COc1cc(N[C@H](C)CCCN)c2ncccc2c1,mutagenic +O=C1CN(CCN2CC(=O)N(CN3CCOCC3)C(=O)C2)CC(=O)N1CN4CCOCC4,mutagenic +ClC1C(Br)C(Br)C(Br)C(Br)C1Br,non-mutagenic +NCCNCCNCCNCCNCCN,mutagenic +O=C1CCCCCO1,non-mutagenic +Oc1cccc(Cl)c1,non-mutagenic +Cc1c2C3OC3c4ccccc4c2c(C)c5ccccc15,mutagenic +Oc1cc2OCOc2cc1N=O,mutagenic +NC(=S)Nc1ccccc1,non-mutagenic +NCc1cccc(CN)c1,non-mutagenic +NCc1ccc(CN)cc1,non-mutagenic +CCCCC\C(=C\c1ccccc1)\C=O,non-mutagenic +OCCN(CC(=O)O)N=O,mutagenic +Fc1cccc2c3c(ccc12)c4cccc5cccc3c45,mutagenic +CN(C)CCC(c1ccc(Cl)cc1)c2ccccn2,non-mutagenic +Cc1cccc(C)c1Nc2cc(Cl)nc(SCC(=O)NCCO)n2,non-mutagenic +Oc1ccc(CC=C)cc1O,mutagenic +CC(C)OC(=O)CCl,non-mutagenic +Cc1nc2cc(Cl)ccc2[nH]1,mutagenic +Oc1ccccc1,non-mutagenic +CC[C@@H]([C@@H](C)O)[N+](=O)[O-],non-mutagenic +OCC(CO)(CBr)CBr,mutagenic +Nc1nc2ccc(cc2s1)[N+](=O)[O-],mutagenic +CCS(=O)(=O)CCn1c(C)ncc1[N+](=O)[O-],mutagenic +CNC1C(O)C(CCC1(C)O)OC2C(O)C(OC3CC(CN)C(O)C(O)C3O)C(N)CC2NC(=O)C(O)CN,non-mutagenic +[O-][N+](=O)c1ccc(cc1)c2ccc(cc2[N+](=O)[O-])[N+](=O)[O-],mutagenic +Cc1ccc(cc1N)N=[N+]([O-])c2ccc(C)c(N)c2,mutagenic +OCc1ccc(cc1)C#N,non-mutagenic +CCc1ccc(C)nc1,non-mutagenic +[O-][N+](=O)c1ccc(\C=N\c2snc3ccccc23)cc1,mutagenic +[O-][N+](=O)c1ccc2c(c1)cc(c3ccccc23)[N+](=O)[O-],mutagenic +COc1c(C=O)c(O)cc2C(=O)c3ccccc3C(=O)c12,non-mutagenic +[O-][N+](=O)\C=C\c1ccccc1,mutagenic +CC(=C)[C@@H]1CC=C(C)C(=O)C1,non-mutagenic +CC\C(=C(\CC)/c1ccc(OP(=O)(O)O)cc1)\c2ccc(OP(=O)(O)O)cc2,non-mutagenic +Cc1c2ccccc2c(CO)c3ccc4ccccc4c13,mutagenic +Fc1cnc2c(ccc3ccccc23)c1,non-mutagenic +CCOC(=O)\C=C\c1oc(cc1)[N+](=O)[O-],mutagenic +CC(=O)Nc1nc2c3cccnc3cc(C)c2n1C,mutagenic +OC(CCl)CCl,mutagenic +NC1CCN(C1)c2nc3N(C=C(C(=O)O)C(=O)c3cc2F)c4ccc(F)cc4F,mutagenic +CCCCCCCCCC(=O)OCCN1CCN(CCCN2c3ccccc3Sc4ccc(cc24)C(F)(F)F)CC1,non-mutagenic +CCCC(=O)Cl,mutagenic +COc1c(Cl)cc2c(N(C)C3N4C(=O)C5(C)SSC4(C(O)C23O)C(=O)N5C)c1OC,non-mutagenic +CCCCC(CC)COC(=O)COc1ccc(Cl)cc1Cl,non-mutagenic +Nc1nnc(S)s1,non-mutagenic +CC(C)(C)c1cc(ccc1[N+](=O)[O-])c2ccccc2,non-mutagenic +CN1N(C(=O)C(=C1C)N)c2ccccc2,non-mutagenic +OC(O)C(Cl)(Cl)Cl,mutagenic +COc1ccc2[nH]cc(CCNC(=O)C)c2c1,non-mutagenic +CC(=O)CN(CC(=O)C)N=O,mutagenic +[O-][N+](=O)c1ccc(CN2C3C2c4ccccc4c5ccccc35)cc1,mutagenic +ClCC(=O)Nc1snc2ccc(Cl)cc12,mutagenic +Cn1ccnc1S,non-mutagenic +OCCc1c[nH]c2cc(ccc12)[N+](=O)[O-],mutagenic +OCC#CCO,non-mutagenic +OC(=O)CCc1ccccc1,non-mutagenic +O=Nc1ccc2ccc3cccc4ccc1c2c34,mutagenic +Cc1ccc(NCC2(O)OCC(O)C(O)C2O)cc1,non-mutagenic +CCN(C)N=O,mutagenic +CC(C)COC(=O)CCCCC(=O)OCC(C)C,non-mutagenic +OC(=O)c1cc(O)nc(O)n1,non-mutagenic +C(CCOC[C@H]1CO1)COC[C@H]2CO2,mutagenic +COc1nsc2ccc(OCC3CO3)cc12,mutagenic +CCN=[N+]([O-])CC,non-mutagenic +CCCC(=O)Nc1snc2ccc(Cl)cc12,non-mutagenic +FC(F)(F)c1cccc(Cl)c1,non-mutagenic +CC(C)c1cc(N)cc(c1N)[N+](=O)[O-],non-mutagenic +[O-][N+](=O)c1cccc(c1)C(=O)Cl,mutagenic +COc1cc(CC=C)cc2OCOc12,non-mutagenic +Nc1ccccc1SCSc2ccccc2N,mutagenic +CN(N=O)c1ccccn1,mutagenic +Nc1ccc2Cc3ccccc3c2c1,mutagenic +NCCCNCCCCN(CCCN)N(O)N=O,mutagenic +[O-][N+](=O)c1ccc(\C=C\c2ccccc2)cc1,mutagenic +CC(=CCl)C,mutagenic +CN(C)c1ccc(cc1)N=Nc2ccccc2COC(=O)C,mutagenic +CCOCOCC,non-mutagenic +C[C@@H]1CC[C@H]2[C@@H](C)[C@H]3[C@@H](C[C@H]4[C@H]5CC=C6C[C@H](CC[C@]6(C)[C@@H]5CC[C@]34C)O[C@@H]7O[C@H](CO)[C@@H](O[C@H]8O[C@@H](C)[C@H](O)[C@@H](O)[C@H]8O[C@H]9O[C@@H](C)[C@H](O)[C@@H](O)[C@H]9O)[C@H](O)[C@H]7O)N2C1,non-mutagenic +CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C,non-mutagenic +O(P(Oc1ccccc1)Oc2ccccc2)c3ccccc3,non-mutagenic +CCCCCCCCCCCCOC(=O)CCSCCC(=O)OCCCCCCCCCCCC,non-mutagenic +CC(=O)OC(OC(=O)C)c1oc(cc1)[N+](=O)[O-],mutagenic +CC(C)(C)N(CCO)CCO,non-mutagenic +OC1OC(=O)C(=C1CBr)Br,mutagenic +COc1ccc(cc1)C(=O)ON(OCc2ccccc2)C(=O)c3ccccc3,mutagenic +CCCC(c1cc(c(O)cc1C)C(C)(C)C)c2cc(c(O)cc2C)C(C)(C)C,non-mutagenic +CCc1c2ccccc2cc3c4C5OC5C(O)C(O)c4ccc13,mutagenic +CCC1(C(=O)NCNC1=O)c2ccccc2,mutagenic +[O-][N+](=O)c1ccc2ccc3c4ccccc4[n+]([O-])c5ccc1c2c35,mutagenic +CC1(Cn2ccnn2)C(N3C(CC3=O)S1(=O)=O)C(=O)O,non-mutagenic +C[C@H]1CCCN(C1)N=O,mutagenic +CSCCC(NC(=O)C(N)Cc1c[nH]c2ccccc12)C(=O)NC(CC(=O)O)C(=O)NC(Cc3ccccc3)C(=O)N,non-mutagenic +CCOC(C)(C)C,non-mutagenic +OCCN(CCO)c1nc(nc2ccccc12)c3ccc(s3)[N+](=O)[O-],mutagenic +ClC(=O)Cc1ccccc1,mutagenic +CCC1(CC(=O)O)OCCc2c1[nH]c3c(cccc23)C(C)O,non-mutagenic +BrCC(=O)c1ccccc1,non-mutagenic +Cc1ccc2cccc(c2c1)[N+](=O)[O-],mutagenic +Cc1ccccc1NO,mutagenic +COc1cc(\C=C\C(=O)O)ccc1O,non-mutagenic +CC(CN1CC(=O)NC(=O)C1)N2CC(=O)NC(=O)C2,non-mutagenic +CN1c2ccccc2C(=O)c3c(O)cc4OC(Cc4c13)C5(C)CO5,mutagenic +O=C1C=C2c3cc4ccccc4cc3c5cccc(C1=O)c25,mutagenic +CC12CCC3C(CCc4cc(O)ccc34)C1CCC2(O)C#C,non-mutagenic +CCC(C)(C)C,non-mutagenic +c1ccc2c(c1)ccc3c2ccc4c5ccccc5ccc34,mutagenic +[O-][N+](=O)c1cccc2c1cc(c3cccc(c23)[N+](=O)[O-])[N+](=O)[O-],mutagenic +C[C@@H](O)CN(C[C@H](O)CO)N=O,mutagenic +CC(C)COC(=O)c1ccccc1N,non-mutagenic +COc1cccc(c1)C(=O)ON(OCc2ccccc2)C(=O)c3ccccc3,mutagenic +CC1CCC2C(OC(=O)C2=C)C3(C)C1C=CC3=O,non-mutagenic +[O-][N+](=O)c1ccc2ccc3c4ccccc4cc5ccc1c2c35,mutagenic +Cc1c(C)c2c3C4OC4C(O)C(O)c3ccc2c5ccccc15,mutagenic +[O-][N+](=O)c1ccc2c3ccccc3c4c(ccc5ccc1c2c45)[N+](=O)[O-],mutagenic +COC(=O)C(N)Cc1ccc(Cl)cc1,non-mutagenic +N1[C@@H]2[C@H]1c3c(c4ccccc24)c5ccccc5c6ccccc36,mutagenic +COc1cc2C(=O)c3ccccc3C(=O)c2c(OC)c1CO,non-mutagenic +Cc1nc2ccc3ccc4ccc(O)cc4c3c2n1C,mutagenic +COc1ccc2cc(CCC(=O)C)ccc2c1,non-mutagenic +CC(C)COS(=O)(=O)C,mutagenic +OC(=O)c1ccc(c(c1)[N+](=O)[O-])[N+](=O)[O-],mutagenic +CC(=O)N[C@@H](CS\C(=C(/Cl)\C(=C(Cl)Cl)Cl)\Cl)C(=O)O,mutagenic +Cc1ccc2ccc3cccc4ccc1c2c34,mutagenic +CN(C)[N+](=O)[O-],mutagenic +Nc1ccc(Cc2ccc(N)c(Cl)c2)cc1Cl,mutagenic +OC1C2OC2c3c(ccc4c3ccc5ccc(O)cc45)C1O,mutagenic +CCCCN(CC(CO)OCc1ccccc1)N=O,mutagenic +Cc1ccc(NC(=O)c2csc(c2)[N+](=O)[O-])cc1,mutagenic +O[C@@H]1C=Cc2c(ccc3c2ccc4ccccc34)[C@H]1O,mutagenic +OC1=C(O)C(=O)C1=O,non-mutagenic +C[C@]12CC[C@H]3[C@@H](CC=C4NC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2OC(=O)CCCc5ccc(cc5)N(CCCl)CCCl,mutagenic +CC(=[N+]([O-])[O-])C,mutagenic +Cc1ccc(cc1)S(=O)(=O)N2C3C2c4ccccc4c5ccccc35,mutagenic +ONc1cc[n+]([O-])c2ccccc12,mutagenic +CC1=CC(=O)c2[nH]c(C)c3c4ccccc4nc3c2C1=O,mutagenic +[O-][N+](=O)c1ccc2ccc3cccc(c3c2c1)[N+](=O)[O-],mutagenic +CCOC(=O)C(O)(c1ccc(Cl)cc1)c2ccc(Cl)cc2,non-mutagenic +CCOC(=O)C(C#N)c1snc2c(cccc12)[N+](=O)[O-],mutagenic +OC(=O)CC(NC(=O)COc1cc(Cl)c(Cl)cc1Cl)C(=O)O,non-mutagenic +CCN(CCCl)CCCNc1c2ccccc2nc3c1ccc4ccccc34,mutagenic +Clc1cccc(Cl)c1C#N,non-mutagenic +[O-][N+](=O)c1cc2cccc3ccc4cccc1c4c23,mutagenic +Cl[C@H]1CCCN(C1)N=O,mutagenic +Cn1c(N)nc2cc3ccccc3cc12,mutagenic +CC(=O)Nc1ccc2c3cc(O)ccc3c4cccc1c24,mutagenic +CC(C)OC(=O)CC(=O)OC(C)C,non-mutagenic +Oc1cc(O)ncn1,non-mutagenic +Cc1ccccc1N=Nc2ccc(N)c(C)c2N,mutagenic +NS(=O)(=O)c1cccc2cccnc12,non-mutagenic +OCc1ccc(cc1)C(F)(F)F,non-mutagenic +Clc1cc(Cl)c(Cl)c(Cl)c1,non-mutagenic +Sc1[nH]cnc2ncnc12,mutagenic +Cc1cccc2c1cc(C)c3c4C5OC5C(O)C(O)c4ccc23,mutagenic +[O-][N+](=O)c1cccc(I)c1,non-mutagenic +COC(=O)c1ccc(cc1)C(=O)OC,non-mutagenic +NNc1nncc2ncccc12,mutagenic +Oc1c([nH]c2ccc(cc12)S(=O)(=O)O)C3=Nc4ccc(cc4C3=O)S(=O)(=O)O,non-mutagenic +NNc1ccccc1[N+](=O)[O-],mutagenic +Cc1c(N)cccc1Cl,non-mutagenic +CCCC(=O)C,non-mutagenic +Cc1c2ccc3ccccc3c2nc4ccc(CO)cc14,mutagenic +CC(=C)C1CCC2(C)OC2C1,non-mutagenic +O=C(CCNNC(=O)c1ccncc1)NCc2ccccc2,mutagenic +[O-][N+](=O)c1cc(c2c3ccccc3c4cccc5ccc1c2c45)[N+](=O)[O-],mutagenic +C\C=C\c1ccc2OCOc2c1,non-mutagenic +N1C2C1c3cc4c(cc3c5ccccc25)C6NC6c7ccccc47,mutagenic +CC1=CC[C@H]2C[C@@H]1C2(C)C,non-mutagenic +OC1C=Cc2ccc3ncccc3c2C1O,non-mutagenic +[O-][N+](=O)c1c(Cl)cc(Cl)cc1Cl,non-mutagenic +C1CCC2OCCOCCOC3CCCCC3OCCOCCOC2C1,non-mutagenic +CN1CCN=N1,mutagenic +COCCCN,non-mutagenic +Clc1ccc2ccccc2n1,non-mutagenic +OC1C=CC2=C(C1O)c3cccc4cccc2c34,mutagenic +CCCC(=O)Nc1snc2ccccc12,non-mutagenic +CC(=C)[C@H]1CCC(=CC1)C,non-mutagenic +O=C(C(=O)c1ccccc1)c2ccccc2,non-mutagenic +Nc1cccc2c3cccc4cccc(c12)c34,mutagenic +CC(=O)ON(OCc1ccc(Cl)cc1)C(=O)c2ccccc2,mutagenic +OC(=O)COc1ccc2ccccc2c1,non-mutagenic +C=COC(=O)C=C,non-mutagenic +C1CCc2ccccc2C1,non-mutagenic +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(/C)\C=C\C2=C(C)CCCC2(C)C,mutagenic +CCCCCCCCCCCCCN1CC(C)OC(C)C1,non-mutagenic +Nc1ccc2cccnc2c1,mutagenic +N\C(=N/O)\c1oc(cc1)[N+](=O)[O-],mutagenic +c1cc2ccc3ccc4ccc5cccc6c(c1)c2c3c4c56,mutagenic +BrCc1ccc2c3cccc4cccc(c2c1)c34,mutagenic +CCCBr,non-mutagenic +[O-][N+](=O)c1cnc(s1)N2CCNC2=O,mutagenic +Oc1ccc2ccccc2c1N=Nc3ccc(cc3)S(=O)(=O)O,non-mutagenic +CCCC[C@@H](CC)COC(=O)c1ccccc1C(=O)OC[C@H](CC)CCCC,non-mutagenic +NCCO,non-mutagenic +CCCCCCCCCCCCCCCCN,non-mutagenic +ONc1ccccc1c2ccccc2,mutagenic +COc1cc2nc3cc(N)ccc3nc2cc1N,mutagenic +Cc1cc2ccc3cc4ccccc4c5ccc(c1)c2c35,mutagenic +ONc1ncnc2c1ncn2Cc3ccccc3,mutagenic +Nc1nc2c(ccc3ncccc23)s1,mutagenic +CC(C)(C)c1ccc(cc1)C(=O)ON(OCc2ccccc2)C(=O)c3ccccc3,mutagenic +OC1C2OC2c3c(ccc4nc5c(ccc6ccccc56)cc34)C1O,non-mutagenic +COc1cc(O)c2C(=O)c3c(O)cc(C)c(O)c3C(=O)c2c1,mutagenic +CCCCCCOC(=O)c1ccccc1C(=O)OCCCCCC,non-mutagenic +Cc1ccc2ccc3c4ccccc4ccc3c2c1,mutagenic +OC1C2OC2c3c(ccc4cccnc34)C1O,mutagenic +OC\C(=C(\Cl)/C(=O)O)\C(Cl)Cl,mutagenic +C1CN1c2nc(nc(n2)N3CC3)N4CC4,mutagenic +CN(C(=O)c1csc(c1)[N+](=O)[O-])c2ccccc2,mutagenic +CCCCCCC(=O)O,non-mutagenic +Oc1ccc2ccccc2c1N=Nc3ccc(cc3[N+](=O)[O-])[N+](=O)[O-],mutagenic +OC1=C(O)C23CCCCC2(O3)c4cc5ccc6ccccc6c5nc14,non-mutagenic +OC1c2ccccc2Oc3ccccc13,mutagenic +CCN(CC)c1ccc(N=O)c(O)c1,non-mutagenic +COc1nsc2c(cccc12)[N+](=O)[O-],mutagenic +CN1CCC=C2C1CCc3sc(N)nc23,mutagenic +CC(C)(N)[C@@H]1CC[C@](C)(N)CC1,non-mutagenic +[O-][N+](=O)c1ccc2ccc3cc4CCC=Cc4c5ccc1c2c35,mutagenic +CC(C)CCCCCCCOC(=O)C(=C)C,non-mutagenic +CN1CCC(=C2c3ccccc3C=Cc4ccccc24)CC1,non-mutagenic +Nc1cc(ccc1O)[N+](=O)[O-],mutagenic +CN(C)CCNC(=O)c1cccc2nc3ccccc3cc12,mutagenic +NC=O,non-mutagenic +CCN(CC)c1ccc(cc1)N=Nc2ccc(cc2Cl)[N+](=O)[O-],mutagenic +NC1(CCCC1)C(=O)O,non-mutagenic +c1ccc2cc3c(cc2c1)c4cccc5cccc3c45,mutagenic +O=C1c2cccc3ccc4cccc1c4c23,mutagenic +[O-][N+](=O)c1ccc2CCNc2c1,mutagenic +COc1ccc(\C=N\n2nnc3c4ccccc4nc3c2O)cc1,mutagenic +C1CCOC1,non-mutagenic +CC1C(C)C(C)(O)C(=O)OCC2=CCN3CCC(OC(=O)C1=C)C23,non-mutagenic +Cc1cc(ccc1N=Nc2ccc(N)cc2)N(CCO)CCO,non-mutagenic +BrCC(=O)c1ccc(Br)cc1,non-mutagenic +CCCC(=O)Nc1snc2ccc(C)cc12,non-mutagenic +C\C=C\C=C\CCCCCCCO,non-mutagenic +CC(C)(Br)C(Br)COP(=O)(OCC(Br)C(C)(C)Br)OCC(Br)C(C)(C)Br,non-mutagenic +CC(=O)CC(=O)\C=C\C(=O)O,non-mutagenic +CCc1cc(Cc2cc(C)c(N)c(CC)c2)cc(C)c1N,non-mutagenic +CC(=C[C@H]1[C@H](C(=O)O[C@@H]2CC(=O)C(=C2C)CC=C)C1(C)C)C,mutagenic +Clc1ccccc1Cl,non-mutagenic +O=C(\C=C\C=C\c1ccc2OCOc2c1)N3CCCCC3,non-mutagenic +ClCC(=O)Nc1snc2ccccc12,mutagenic +CN(C)CCCl,mutagenic +N#CCC#N,non-mutagenic +Oc1cccc2Cc3cc(ccc3c12)[N+](=O)[O-],mutagenic +ON(C(=O)c1ccccc1)c2ccc3c(Cc4ccccc34)c2,mutagenic +OCCOCCO,non-mutagenic +CCCCNC(=O)NS(=O)(=O)c1ccc(C)cc1,non-mutagenic +Fc1ccccc1,mutagenic +CC1(C)C2CCC1(C)C(C)(O)C2,non-mutagenic +Cc1cnc2ccc3c(nc(NS(=O)(=O)O)n3C)c2n1,non-mutagenic +C=CC(=O)OCCOCCOC(=O)C=C,non-mutagenic +OCCCc1ccccc1,non-mutagenic +OCc1ccc2c3ccccc3c4cccc1c24,non-mutagenic +CCC(C)C1NC(=O)C(=C1O)C(=O)C,non-mutagenic +Cc1cc2cccc3ccc4cc5ccccc5c1c4c23,mutagenic +CCCN(CCC)C(=O)SCC,non-mutagenic +CN(N=O)C(=O)N,mutagenic +C=CC(=O)N(C[C@H]1CO1)C[C@H]2CO2,mutagenic +C[C@@H]1CNC[C@@H](C)O1,mutagenic +N#Cc1ccccc1,non-mutagenic +Cc1ccc(cc1)c2nc3SCCn3c2[N+](=O)[O-],mutagenic +[O-][N+](=O)c1ccc2c(cc3c(cccc3c2c1)[N+](=O)[O-])[N+](=O)[O-],mutagenic +Nc1ccc(O)cc1,non-mutagenic +ClCc1ccc(Cl)cc1,non-mutagenic +CC(CNC(=O)c1cccnc1)NC(=O)c2cccnc2,non-mutagenic +CC[C@H](CO)NCCN[C@H](CC)CO,non-mutagenic +Cc1ccccc1N=Nc2cc(C)c(N)cc2N,mutagenic +CCCCCCCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1,non-mutagenic +CN1C(CCC1=O)c2ccc[n+]([O-])c2,non-mutagenic +CC(C)(N=NC(C)(C)C(=N)N)C(=N)N,mutagenic +ClC1=C(Cl)C(=O)N(N=C1)C(=O)c2ccccc2,non-mutagenic +[O-][N+](=O)c1ccc(\C=C\C=C\C=O)cc1,mutagenic +Cc1ccc(c2ccccc12)[N+](=O)[O-],mutagenic +COc1ccc(CC=C)cc1OC,non-mutagenic +Nc1c2ccccc2nc3ccc(cc13)[N+](=O)[O-],mutagenic +C1c2ccccc2c3ccccc13,non-mutagenic +COc1cc(OC)c2cc(c3c(cc4OCOc4c3c2c1)C(=O)O)[N+](=O)[O-],non-mutagenic +Oc1nc(Cl)nc(Cl)n1,non-mutagenic +CC12CCCC(C)(C1CCC34CC(CCC23)C(=C)C4O)C(=O)O,non-mutagenic +CC1=C(O)C(=O)C(O)CO1,mutagenic +Cc1ccc(C)c(N)c1,mutagenic +Nc1ccc2c(c3ccccc3C(=O)O)c4ccc(N)cc4[o+]c2c1,non-mutagenic +ClCCNCCCNc1c2ccccc2nc3ccccc13,mutagenic +ClC1=C(Cl)C(=O)N(N=C1)S(=O)(=O)c2ccccc2,non-mutagenic +CSCC(NC(=O)C(C)(C)SC)C(=O)O,non-mutagenic +Cc1ccc2cc3c4C=C[C@@H](O)[C@H](O)c4ccc3c5CCc1c25,mutagenic +COC1C(N)CC(OC2CC(O)(Cc3c(O)c4C(=O)c5cccc(OC)c5C(=O)c4c(O)c23)C(=O)CO)OC1C,mutagenic +CC(=O)O[C@@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4ccccc4)[C@@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c6ccccc6)c7ccccc7)C(=C1C5(C)C)C,non-mutagenic +CC(C)Oc1ccc2C(=O)C(=COc2c1)c3ccccc3,non-mutagenic +CCC(C)OS(=O)(=O)C,mutagenic +ClSC(Cl)(Cl)Cl,mutagenic +c1ccc(nc1)c2ccncc2,mutagenic +O=C(OOC(=O)c1ccccc1)c2ccccc2,non-mutagenic +[O-][N+](=O)c1cccc(C=O)c1,mutagenic +Cc1ccc(cc1)C(C)(C)C,non-mutagenic +C[C@@H]1CCCCN1CCCNCC(=O)Nc2c(C(=O)c3ccccc3F)c(C)nn2C,mutagenic +COC1=CC=C2C(=CC1=O)[C@@H](CCc3cc(OC)c(OC)c(OC)c23)NC(=O)C,non-mutagenic +COc1ccc2c(c1)C(=O)c3nccc4cc(OC)c(OC)c2c34,mutagenic +CN1CC(CBr)CC2C1Cc3c[nH]c4cccc2c34,mutagenic +[O-][N+](=O)c1ccc2c3cc4ccccc4cc3c5cccc1c25,mutagenic +COc1cc(NS(=O)(=O)C)ccc1Nc2c3ccccc3nc4ccc(cc24)N=N#N,mutagenic +C[C@@H](O)c1cc2ccc3cccc4ccc(c1)c2c34,mutagenic +OCCN1C(=O)N(CCO)C(=O)N(CCO)C1=O,non-mutagenic +CC(=O)CCl,non-mutagenic +Clc1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1,non-mutagenic +Cc1cccc(c1)[N+](=O)[O-],non-mutagenic +CN(C)CCC=C1c2ccccc2CCc3ccccc13,non-mutagenic +[O-][N+](=O)c1ccc2nc3c(cccc3nc2c1)[N+](=O)[O-],mutagenic +BrCC1=C(Br)C(=O)OC1,mutagenic +ONc1cnc2c(c1)nc3ccccn23,mutagenic +Nc1nc(cs1)c2oc(cc2)[N+](=O)[O-],mutagenic +CC(C=C)C#N,non-mutagenic +Oc1ccc2C(=O)c3ccccc3C(=O)c2c1O,mutagenic +N[C@@H](CCC(=O)N[C@@H](CSC(=C(Cl)Cl)Cl)C(=O)NCC(=O)O)C(=O)O,mutagenic +Nc1cccc2ccc3ccccc3c12,non-mutagenic +Oc1ccc(N=Nc2ccc(cc2)S(=O)(=O)O)c3ccccc13,non-mutagenic +CO[C@@H](C)[C@](O)(C(=O)OCC1=CCN2CC[C@H](OC(=O)\C(=C/C)\C)[C@@H]12)C(C)(C)O,mutagenic +[O-][N+](=O)c1ccc2c3cccc4ccc(c(c5cccc1c25)c34)[N+](=O)[O-],mutagenic +CC(C)(C)OC(=O)N\N=C\C1=CN(O)c2ccccc2N1O,mutagenic +Cc1cc(Cc2cc(C)cc(c2O)C(C)(C)C)c(O)c(c1)C(C)(C)C,non-mutagenic +N\C(=N/O)\c1ccc(O)c(O)c1,mutagenic +Oc1c2ccccc2c(O)c3c1ccc4nc5c6C(=O)c7ccccc7C(=O)c6ccc5nc34,non-mutagenic +CC(=O)Nc1ccc(C)c(N)c1,mutagenic +C1Cc2cccnc2C3OC13,non-mutagenic +CCOP(=S)(OCC(C)C)SCCl,non-mutagenic +OC(=O)CNCP(=O)(O)O,non-mutagenic +C(Cc1ccccc1)C2CO2,mutagenic +Cc1ccc(cc1)C(=O)O,non-mutagenic +CC1OC(CC(N)C1O)OC2CC(O)(Cc3c(O)c4C(=O)c5cccc(O)c5C(=O)c4c(O)c23)C(=O)C,mutagenic +ClCCC(Br)CBr,non-mutagenic +CC1OC(OC2C(O)C(O)C(CO)OC2OC34CCC5C6(C)CCCC(C)(C6CCC5(CC3=C)C4)C(=O)OC7OC(CO)C(O)C(O)C7O)C(O)C(O)C1O,non-mutagenic +COC(=O)\C(=C\c1oc(Br)cc1)\[N+](=O)[O-],non-mutagenic +CCOc1ccc(cc1)N=O,mutagenic +CN(C)CCN1C=CN(C)C1\C=N\O,non-mutagenic +ClC[C@H](Cl)CBr,mutagenic +CC(Br)c1ccccc1,non-mutagenic +Clc1ccccc1C=O,non-mutagenic +CCCCCCCCCCCCN(C)N=O,mutagenic +CCCCCCC(CCCC)COc1ccc(cc1)c2ccc(cc2)c3ccc(cc3)c4ccc(OCC(CCCC)CCCCCC)cc4,non-mutagenic +Cc1ccc(N)cc1[N+](=O)[O-],mutagenic +ClC[C@H]1CO1,mutagenic +CCN(CC)c1ccc2C(=C3C=CC(=[N+](CC)CC)C=C3Oc2c1)c4ccccc4C(=O)O,non-mutagenic +COCC1CN(C(=O)O1)c2ccc3nc(sc3c2)C(O)CCC#N,non-mutagenic +COC(=O)C(=C)Cl,mutagenic +CNC(=O)ON(C(=O)NC)C(=O)NC,non-mutagenic +COc1cc(O)c2c(O)c3C(=O)OC(=Cc3c(OC)c2c1)C,mutagenic +CC1(C)CCCC(C)(C)N1O,non-mutagenic +C1Cc2c(ccc3ncccc23)C4OC14,non-mutagenic +Nc1ccc2c(ccc3c4ccccc4ccc23)c1,mutagenic +CCCCOCCO,non-mutagenic +CCOC(=O)C(=NNc1ccc(cc1OC)c2ccc(NN=C(C(=O)OCC)C(=O)OCC)c(OC)c2)C(=O)OCC,non-mutagenic +Oc1ccc2ccccc2c1N=Nc3ccc4ccccc4c3S(=O)(=O)O,non-mutagenic +OC(=O)c1cccc2cccnc12,non-mutagenic +COc1ccc2c(OC)c3CCOc3nc2c1OC,mutagenic +CC(C)c1c(O)c(O)c(C=O)c2c(O)c(c(C)cc12)c3c(C)cc4c(C(C)C)c(O)c(O)c(C=O)c4c3O,non-mutagenic +CCN(CC)c1ccc2C(=CC(=O)Oc2c1)C(F)(F)F,non-mutagenic +CC(=O)Nc1ccc2c3ccc(O)cc3c4cccc1c24,mutagenic +[O-][N+](=O)c1c(nc2SCCn12)c3ccc(Cl)cc3,mutagenic +Nc1nc(cs1)c2ccc(s2)[N+](=O)[O-],mutagenic +O=C1Oc2cc3occc3cc2C=C1,non-mutagenic +COC(=O)c1oc(c(Cl)c1Cl)[N+](=O)[O-],mutagenic +[O-][N+](=O)c1ccc(\C=C\c2ccc(Cl)cc2)cc1,mutagenic +COC(=O)[C@]12O[C@@]1(C)[C@@](C)(O)OC2=O,mutagenic +CCCCN(CCCC)N=O,mutagenic +COc1cc(O)c2C(=O)c3c(OC)cc4OC5OCCC5c4c3Oc2c1OC,non-mutagenic +CCCCCCCC\C=C\CCCCCCCC(=O)OCCOCC1(OCCOC)OCC(OCCOC)C1OCCOC,non-mutagenic +CN(C)c1ccc(Cc2ccc(cc2)N(C)C)cc1,mutagenic +[O-][N+](=O)c1ccc(Br)c(c1)[N+](=O)[O-],mutagenic +COc1cc(Oc2ccc(Cl)cc2Cl)cc(c1)[N+](=O)[O-],non-mutagenic +Nc1ccccc1c2ccccc2,mutagenic +CCc1ccc(C)cc1,non-mutagenic +Oc1cccc2c1c(cc3[nH]c4ccc5ccccc5c4c23)[N+](=O)[O-],mutagenic +Fc1ccc2ccc3cccnc3c2c1,mutagenic +OC1C=Cc2c(ccc3c4CCCc4ccc23)C1O,mutagenic +[O-][N+](=O)c1ccc(c2ccc(c(c2)[N+](=O)[O-])[N+](=O)[O-])c(c1)[N+](=O)[O-],mutagenic +CC(=C[C@H]1[C@H](C(=O)OCc2oc(CC#C)cc2)C1(C)C)C,mutagenic +Nc1nc(Cl)c2ncn(CC(O)CN=N#N)c2n1,mutagenic +Oc1cc(O)c2ccccc2n1,mutagenic +O=C(Nc1ccccc1)Nc2ccccc2,non-mutagenic +Cc1ccc2c(c1)nc(N)n2C,mutagenic +CCOC(=O)[C@@H]1O[C@H]1c2ccccc2,non-mutagenic +OC(=O)CBr,mutagenic +Clc1cc(Cl)cc(NS(=O)(=O)c2cccc3cccnc23)c1,non-mutagenic +OCCC#N,non-mutagenic +[O-][N+](=O)c1ccc2ccc3c(cccc3c2c1)[N+](=O)[O-],mutagenic +CN(C)C(=O)Cl,mutagenic +CN1CCN(CC1)c2ccc3[nH]c(nc3c2)c4ccc5[nH]c(nc5c4)c6ccc(cc6)N(CCCl)CCCl,non-mutagenic +OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c3ccc(Cl)cc3,non-mutagenic +CCN1C=C(C(=O)O)C(=O)c2cc(F)c(cc12)N3CCN(C)CC3,mutagenic +[O-][n+]1cc2ccccc2cn1,non-mutagenic +CCC(Br)(CC)C(=O)NC(=O)N,non-mutagenic +CCOC(=O)CSc1ccc2c3ccccc3C(=O)c4cccc1c24,mutagenic +CC(=O)Nc1ccc(cc1)[C@H]2O[C@H]2C(=O)c3ccccc3,mutagenic +CCN(CCCO)N=O,mutagenic +NC1=NC(=O)N(CC(O)CN=N#N)C=C1,mutagenic +Cc1ccc(C=C)cc1,non-mutagenic +CC(=O)OC1C2CC(C)(C)CC2=C(C=O)C3(CC13C)C=O,non-mutagenic +[O-][N+](=O)c1ccc2c(ccc3c4ccccc4ccc23)c1,mutagenic +Nc1ccc2nc3ccc(N)cc3nc2c1,mutagenic +C[C@@H]1c2ccccc2c3ccc(C)cc13,mutagenic +Nc1ccc(Cc2ccc(N)cc2[N+](=O)[O-])c(c1)[N+](=O)[O-],mutagenic +COc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)c3ccc(Cl)cc3,non-mutagenic +[O-][N+](=O)c1ccc2c(CCc3cc(ccc23)[N+](=O)[O-])c1,mutagenic +Cc1c(Cn2ccnc2)c3cc(ccc3n1Cc4ccccc4)[N+](=O)[O-],mutagenic +[O-][N+](=O)c1cccc(NC(=O)c2csc(c2)[N+](=O)[O-])c1,mutagenic +OCCCBr,mutagenic +CCCOC(=O)C(=C)C,non-mutagenic +Oc1cccc2c1ccc3nc4ccc5ccccc5c4cc23,non-mutagenic +CCCC[C@@H](CC)COP(OC[C@H](CC)CCCC)OC[C@H](CC)CCCC,non-mutagenic +[O-][N+](=O)c1cc2CCc3cc(cc4ccc(c1)c2c34)[N+](=O)[O-],mutagenic +CCC(C)(C)c1ccc(O)cc1,non-mutagenic +ClC(=C(Cl)Cl)Cl,non-mutagenic +NC(Cn1ccnc1)C(=O)O,mutagenic +CC(C)c1ccc(OP(=O)(Oc2ccccc2)Oc3ccccc3)cc1,non-mutagenic +O1C2C1c3cc4ccccc4c5ccc6cccc2c6c35,mutagenic +Cc1c2ccccc2cc3ccccc13,mutagenic +CCCCOC(=O)CCCCCCCCC(=O)OCCCC,non-mutagenic +CC(NC(=O)COc1ccc(Cl)cc1Cl)C(=O)O,non-mutagenic +C1Cc2ccc3cc4CCCc5ccc6cc(C1)c2c3c6c45,mutagenic +CCCCCCCC(=O)CCc1ccc(O)c(OC)c1,non-mutagenic +[O-][N+](=O)c1cnc(NC(=O)NCCCl)s1,mutagenic +CCCCOC(=O)c1ccccc1C(=O)OC2CCCCC2,non-mutagenic +CCc1nc2c(ccc3ccc4ccc(O)cc4c23)[nH]1,mutagenic +ClC(=O)c1ccccc1C(=O)Cl,mutagenic +CCc1cccc2cccnc12,mutagenic +CN(C)C(=O)Nc1ccc(Cl)c(Cl)c1,mutagenic +Cc1ccc(N)cc1Cl,mutagenic +[O-][N+](=O)c1ccc2CCc3cccc1c23,mutagenic +Nc1ccc2cc3ccc(N)cc3nc2c1,mutagenic +CC(=O)NC1=NC(=NOC1)c2oc(cc2)[N+](=O)[O-],mutagenic +COc1c2ccoc2nc3c(O)cccc13,mutagenic +OC1C=CC=CC1O,mutagenic +CC(C)(c1ccccc1)c2ccc(O)cc2,non-mutagenic +[O-][N+](=O)c1ccc2ccc3c4ccccc4nc5ccc1c2c35,mutagenic +Oc1c(I)cc(Cl)c2cccnc12,non-mutagenic +Fc1cccc(F)n1,non-mutagenic +Cc1nccc2c3ccc(O)cc3[nH]c12,mutagenic +Cc1cc(O)ccc1Cl,non-mutagenic +CCCCN(CC(=O)CC)N=O,mutagenic +Oc1ccc(cc1)c2ccc(O)cc2,non-mutagenic +C(Oc1ccccc1c2ccccc2)C3CO3,mutagenic +COc1c(C)c2COC(=O)c2c(O)c1C\C=C(/C)\CCC(=O)O,mutagenic +OCc1ccc(Br)cc1,non-mutagenic +OCCN(CCO)c1ccc(cc1)N=Nc2cccnc2,non-mutagenic +COC(=O)CNC(=O)C(CSCCCl)NC(=O)CCC(N)C(=O)O,mutagenic +C[n+]1c2cc(N)ccc2cc3ccc(N)cc13,mutagenic +Cc1oc2c(ccc3ccc4ccc(O)cc4c23)n1,mutagenic +[O-][N+](=O)c1ccc2nc3cc(ccc3nc2c1)[N+](=O)[O-],mutagenic +O=Nc1ccc(Sc2ccccc2)cc1,mutagenic +c1ccc2cc3cc4ccccc4cc3cc2c1,mutagenic +OCC(CO)(CO)CO,non-mutagenic +CC1COC2(CC1OC(=O)\C=C\c3ccccc3)OC4CC(CCC4C25CO5)C(=O)OC6OC(C)C(O)C(OC(=O)C)C6OC7OC(C)C(O)C(OC(=O)C)C7O,non-mutagenic +CC(C)CC(C)O,non-mutagenic +Cc1cc(C)c(CN2C3C2c4ccccc4c5ccccc35)c(C)c1,mutagenic +Cc1cc(c(C)c2c3ccccc3n(C)c12)[N+](=O)[O-],mutagenic +COc1cc2nc3occc3c(OC)c2cc1OC,mutagenic +CCCOO,mutagenic +COc1c(OCC2OC2(C)C)ccc3c(OC)c4ccoc4nc13,non-mutagenic +CN(CCCCO)N=O,mutagenic +CN(C)CCNC(=O)C1=CC=CN2C(=O)c3ccccc3N=C12,mutagenic +OC(=O)c1cc2OCOc2c3c4cccc(O)c4cc(c13)[N+](=O)[O-],mutagenic +CC(C)c1ccc(C)cc1O,non-mutagenic +CC(C)C1(NC(=O)C2CC3C(Cc4c[nH]c5cccc3c45)N(C)C2)OC6(O)C7CCCN7C(=O)C(Cc8ccccc8)N6C1=O,non-mutagenic +CNc1ccc(cc1)N=Nc2ccc3ncsc3c2,mutagenic +CCCCCOC(=O)\C=C\c1oc(cc1)[N+](=O)[O-],mutagenic +NNc1nncc2ccccc12,mutagenic +ClCCOC(=O)C=C,mutagenic +Cc1nccnc1C,non-mutagenic +CNc1ccccc1N,mutagenic +[O-][N+](=O)c1ccc2c(CCc3c4CCCCc4ccc23)c1,mutagenic +OC(CC(=O)OCCBr)(CC(=O)OCCBr)C(=O)OCCBr,mutagenic +ClCCN[P@]1(=O)OCCCN1CCCl,mutagenic +CCOC(=O)CNC(=O)CBr,non-mutagenic +Cc1cccc(O)c1C,non-mutagenic +CC[C@H](O)CN,non-mutagenic +Clc1ccc(CC2CO2)cc1,mutagenic +COC(=O)CC(=O)C,non-mutagenic +CCN1CCN=N1,mutagenic +O=C1c2ccccc2C(=O)c3c(cccc13)[N+]#N,mutagenic +O1C2C1c3ccc4c5ccccc5c6cc7cccc2c7c3c46,mutagenic +OC(=O)CCCOc1ccc(Cl)cc1Cl,non-mutagenic +CC(C)CCCC(C)CCCC(C)CCCC1(C)CCc2c(C)c(O)c(C)c(C)c2O1,non-mutagenic +CC(=O)CCC1C2CC3C(CC12C)OC(=O)C3=C,non-mutagenic +CN(C)CCN(Cc1ccc(Cl)s1)c2ccccn2,non-mutagenic +CC(C)(Cl)[N+](=O)[O-],mutagenic +[O-][N+](=O)c1ccc(COC(=O)c2ccccc2)cc1,mutagenic +CCCCC\C=C\C(=O)CCc1ccc(O)c(OC)c1,mutagenic +Nc1ccc(cc1)S(=O)(=O)N,non-mutagenic +Nc1ccccn1,non-mutagenic +CCc1cccc(C)c1N,mutagenic +OC(=O)\C=C\c1ccc(cc1)[N+](=O)[O-],mutagenic +COc1cc2OC3OC=CC3(O)c2c4OC(=O)C5=C(CCC5=O)c14,mutagenic +CCN(CCCl)CCCNc1c2ccccc2nc3c(OC)cccc13,mutagenic +CCN(N=O)c1ccccc1,non-mutagenic +CN(C)c1ccc(cc1)N=Nc2ccc(C=O)cc2,mutagenic +NC(CCC(=O)NC(CSCCCl)NC(=O)CC(=O)O)C(=O)O,mutagenic +NC(=N)c1ccc(cc1)c2cc3ccc(cc3[nH]2)C(=N)N,non-mutagenic +Oc1ccc(Cl)cc1Sc2cc(Cl)ccc2O,non-mutagenic +CN(C)c1ccc(cc1)N=Nc2ccc(COC(=O)C)cc2,mutagenic +CC(=O)Nc1ccc2[nH]c3c(C)c4ccncc4c(C)c3c2c1,non-mutagenic +CC(=O)\N=C\1/SN(C(=O)C)c2ccc(cc12)[N+](=O)[O-],mutagenic +CC(=O)OC1(CCC2C3C(CCC12C)C4(C)C5CC5C(=O)C=C4C6(Cl)CC36)C(=O)C,non-mutagenic +OS(=O)(=O)OCc1cc2ccccc2c3ccc4ccccc4c13,mutagenic +OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c2ccc3C(=O)c4ccccc4C(=O)c3c2O,mutagenic +COc1ccc(CON(OC(=O)C)C(=O)c2ccccc2)cc1,mutagenic +CC(C)CCCCCCOC(=O)CCCCC(=O)OCCCCCCC(C)C,non-mutagenic +Nc1ccc2ncsc2c1,mutagenic +CCOP(=O)(OCC)Oc1ccc(cc1)[N+](=O)[O-],mutagenic +OCc1cccc2c3cccc4cccc(c12)c34,non-mutagenic +NC(=O)N(CCCC(=O)O)N=O,mutagenic +c1ccc2sncc2c1,non-mutagenic +ON(C=O)c1ccc(\C=C\c2ccccc2)cc1,mutagenic +CN1CC[C@@H](CN2c3ccccc3Sc4ccccc24)C1,non-mutagenic +Oc1c2ccccc2c3ccc4cccc5ccc1c3c45,mutagenic +CCCCN(CC(=O)C)N=O,mutagenic +NCC(=O)O,non-mutagenic +CCCCCCCCCCCC(=O)C,non-mutagenic +OC1C=Cc2c(ccc3cc4c5C=CC(O)C(O)c5ccc4cc23)C1O,non-mutagenic +COC(=O)\C(=C\C=C\C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C)\C)\C,non-mutagenic +Cc1cc2nccnc2c3nc(N)n(C)c13,mutagenic +CC1=NN(C(=O)C1)c2ccccc2,non-mutagenic +C[C@@H]1COc2c(N3CCN(C)CC3)c(F)c(C(=O)O)c4C(=O)C=CN1c24,mutagenic +CC(=O)OC1(CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C)C#C,non-mutagenic +O=C1CCc2ccc3c(ccc4ccccc34)c12,mutagenic +CN(C)CCNC(=O)c1cc2ccccc2c3cccnc13,mutagenic +Cc1ccc(N)cc1N=[N+]([O-])c2cc(N)ccc2C,mutagenic +C1CCC=CC1,non-mutagenic +CC1(CO1)C(=O)NCc2ccccc2,mutagenic +Fc1ccc2c3c(ccc4ccccc34)c5cccc1c25,mutagenic +CC(=O)CC(=O)Nc1ccc(C)cc1,non-mutagenic +COC(=O)C12Oc3ccc(c(O)c3C(=C1C(=O)CC(C)C2O)O)c4ccc5OC6(C(O)C(C)CC(=O)C6=C(O)c5c4O)C(=O)OC,non-mutagenic +C[C@H]1C[C@H](CC(C)(C)C1)OC(=O)c2ccccc2O,non-mutagenic +C=CCOC(=O)C=C,non-mutagenic +Fc1ccccc1C(=O)Cl,mutagenic +C=CCN1C(=O)N(CC=C)C(=O)N(CC=C)C1=O,non-mutagenic +Nc1ccc2c(no[n+]2[O-])n1,mutagenic +[O-][N+](=O)c1cccc(CO\N=C\c2nc3cc(ccc3n2Cc4ccc(F)cc4)[N+](=O)[O-])c1,non-mutagenic +Cc1ccc2nc3c(cc2c1)c4cccc5cccc3c45,non-mutagenic +CCC[C@](C)(COC(=O)N)COC(=O)NC(C)C,non-mutagenic +CC(C)Nc1cccc2C(=O)c3ccccc3C(=O)c12,mutagenic +CN(C)C=O,non-mutagenic +[O-][N+](=O)c1ccc(Nc2ccc(cc2)N=C=S)cc1,non-mutagenic +Oc1cc2ccc(c3ccc4cccc1c4c23)[N+](=O)[O-],mutagenic +COC(=O)c1oc(NOC(=O)C)c(c2ccccc2)c1c3ccccc3,non-mutagenic +CCN(C=O)N=O,mutagenic +OC(=O)c1ccc(cc1)S(=O)(=O)N(Cl)Cl,mutagenic +O=C1Oc2cc(ccc2C=C1c3ccccc3)n4nc5ccc6ccccc6c5n4,non-mutagenic +OC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)COc3ccc(Cl)cc3Cl,non-mutagenic +CC(=C)c1ccccc1,non-mutagenic +Cc1ncc([N+](=O)[O-])n1CC(=O)O,mutagenic +CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc2ccccn2,non-mutagenic +CCCCOC(=O)C(=C)C,non-mutagenic +COc1cc2OC3OCCC3c2c4OC(=O)C5=C(CCOC5=O)c14,non-mutagenic +CC1=CC(=O)C=CC1=O,non-mutagenic +O[C@@H]1OC(=O)C(=C1C(Cl)Cl)Cl,mutagenic +C\C=C\1/CC(C)C(C)(O)C(=O)OCC2=CCN3CCC(OC1=O)C23,non-mutagenic +CC1(C)C2CCC1(C)C(O)C2,non-mutagenic +Cc1ccc2nsc(NC(=O)CCl)c2c1,mutagenic +CCN(CCCl)c1ccc(cc1)c2nc3cc(ccc3[nH]2)c4nc5cc(ccc5[nH]4)N6CCN(C)CC6,non-mutagenic +COc1cc2OC3(C)OC4OC4C3(C)c2c5OC(=O)C6=C(CCC6=O)c15,non-mutagenic +CCCC[C@@H](CC)COC(=O)c1ccc(C(=O)OC[C@H](CC)CCCC)c(c1)C(=O)OC[C@H](CC)CCCC,non-mutagenic +OS(=O)(=O)c1ccc(Oc2ccc3c4ccccc4C(=O)c5cccc2c35)cc1,mutagenic +COc1c(OC)c2occc2c3OC(=O)C=Cc13,non-mutagenic +CC1OC(OC2C(O)C(O)C(CO)OC2OC3C(O)C(O)C(OC3OC4CCC5(C)C(CCC6(C)C5CC=C7C8CC(C)(C)CC(O)C8(C)CCC67C)C4(C)CO)C(=O)O)C(O)C(O)C1O,non-mutagenic +N#C[Se]Cc1ccccc1,mutagenic +[O-][N+](=O)c1ccc(OC=C)cc1,mutagenic +CCC(=O)N(O)c1ccc2ccccc2c1,mutagenic +COC=O,non-mutagenic +C[n+]1c(c2ccc(N)cc2)c3cc(N)ccc3c4ccc(N)cc14,mutagenic +[O-][N+](=O)c1ccc2sncc2c1,mutagenic +CCOC(=O)[C@H](C)O,non-mutagenic +COc1cc2O[C@H]3OC=C[C@H]3c2c4OC(=O)C5=C(CCC5=O)c14,mutagenic +NC(=O)NCC=C,mutagenic +CCCCCCCCCc1ccc(OP(=O)(Oc2ccccc2)Oc3ccccc3)cc1,non-mutagenic +ClC(Cl)c1ccccc1,mutagenic +C(Cc1cccc2ccccc12)C3CO3,mutagenic +O=NN1CCC(=O)CC1,mutagenic +Cc1ccnc2ccccc12,mutagenic +[O-][N+](=O)c1ccc2ccc3nc4ccccc4c5ccc1c2c35,mutagenic +NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1,non-mutagenic +CCNc1cc2OC3=CC(=NCC)C(=CC3=C(c4ccccc4C(=O)OCC)c2cc1C)C,non-mutagenic +C[N+]1(C)CCOCC1,non-mutagenic +CCN(Cc1cccc(c1)S(=O)(=O)O)c2ccc(cc2)C(=C3C=CC(=[N+](CC)Cc4cccc(c4)S(=O)(=O)O)C=C3)c5ccccc5S(=O)(=O)O,mutagenic +OCC=O,non-mutagenic +O[C@@H]1[C@H]2O[C@H]2c3cc4ccc5cccc6ccc(c3[C@@H]1O)c4c56,mutagenic +CC(=O)N(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c2ccc(Oc3ccc(Cl)cc3)cc2,mutagenic +Cc1cc(cc2ccccc12)[N+](=O)[O-],mutagenic +C\C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C)/C)\C=O,non-mutagenic +[O-][N+](=O)c1ccc2C(=O)C(=O)c3cccc4ccc1c2c34,mutagenic +CC(CCNC(=O)OCCOC(=O)C(=C)C)CC(C)(C)CNC(=O)OCCOC(=O)C(=C)C,non-mutagenic +CC(Cl)C(=O)O,non-mutagenic +CC(=C)C(=O)OCC(C)(C)C,non-mutagenic +[O-][N+](=O)c1ccc2c3CCCCc3c4cccc5ccc1c2c45,mutagenic +COc1nc2cc(cc(CBr)c2nc1OC)[N+](=O)[O-],mutagenic +C\C=C/1\CC(C)C(C)(OC(=O)C)C(=O)OCC2=CCN(C)CCC(OC1=O)C2=O,mutagenic +CC1(CO1)c2ccc(Cl)cc2,mutagenic +C\C=C(\C(=C\C)\c1ccc(O)cc1)/c2ccc(O)cc2,non-mutagenic +[O-][N+](=O)c1cc2C(=O)c3cc(cc(c3c2c(c1)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],mutagenic +CCCC[C@@H](CC)CNC[C@H](CC)CCCC,non-mutagenic +CCOC(=O)[C@@H]1O[C@]1(C)c2ccccc2,non-mutagenic +CC(=O)C1=C(C(=O)C(=C1)C(C)(C)C)C(C)(C)C,non-mutagenic +Oc1c(cc2ccc3cccc4ccc1c2c34)[N+](=O)[O-],mutagenic +CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCO,non-mutagenic +CC(C)Cc1nccs1,mutagenic +CCOC(=O)C(C)(C#N)c1snc2ccc(cc12)[N+](=O)[O-],mutagenic +BrCC(=O)Nc1ccccc1,non-mutagenic +Nc1nc2ncnc2c[nH]1,non-mutagenic +CC(=C)C(=O)OCC(O)COc1ccc(cc1)C(C)(C)c2ccc(OCC(O)COC(=O)C(=C)C)cc2,non-mutagenic +COc1ccc(Nc2c3ccccc3nc4ccccc24)cc1,mutagenic +OCC(=O)N(O)c1ccc(Cl)cc1,non-mutagenic +[O-][N+](=O)c1oc(\C=C\C=O)cc1,mutagenic +NC(CSCCCl)C(=O)O,mutagenic +Nc1ccc2ccc3c4ccccc4cc5ccc1c2c35,mutagenic +Cc1c2C(O)C(O)c3ccccc3c2cc4ccccc14,mutagenic +CCOCC=O,non-mutagenic +Br\C=C\Br,mutagenic +Brc1cccc(c1)c2ccccc2,non-mutagenic +O1[C@@H]2C=Cc3cc4ccc5cccc6ccc(c3[C@H]12)c4c56,mutagenic +O[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)O[N+](=O)[O-],non-mutagenic +[O-][N+](=O)c1ccc(\C=C\C=O)cc1,mutagenic +[O-][N+](=O)c1ccc(cc1)c2nc3sccn3c2N=O,mutagenic +ClC\C=C/Cl,mutagenic +CC1=C(SSC1=S)c2cnccn2,non-mutagenic +Cn1c(N=N#N)nc2ccc3ncccc3c12,mutagenic +COC1=CC(=O)C[C@@H](C)[C@]12Oc3c(Cl)c(OC)cc(OC)c3C2=O,non-mutagenic +[O-][N+](=O)c1cc(c2c(cc(cc2c1)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],mutagenic +CCC[C@@H](C)C[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O,non-mutagenic +CCC(CCC(=O)C)COC(=O)CCCCC(=O)O,non-mutagenic +NC(CC(=O)O)C(=O)O,non-mutagenic +BrCCCBr,non-mutagenic +CC(=O)C=C,mutagenic +CC1=CCC(=O)O1,non-mutagenic +NNc1nc(cs1)c2ccc(cc2)[N+](=O)[O-],mutagenic +Cc1ccc(cc1N)[N+](=O)[O-],mutagenic +NC(CO)C(=O)O,non-mutagenic +OCC(=O)O,non-mutagenic +COc1cc(ccc1N=Nc2cc(c3ccccc3c2O)S(=O)(=O)O)c4ccc(N=Nc5cc(c6ccccc6c5O)S(=O)(=O)O)c(OC)c4,non-mutagenic +C1COCOC1,mutagenic +Cc1cnc(C)cn1,non-mutagenic +Clc1cc2ccccc2c3ccccc13,mutagenic +N1[C@@H]2[C@H]1c3ccccc3c4c2ccc5ccccc45,mutagenic +COc1ccc(\C=C\C)cc1,non-mutagenic +Oc1cc2c3ccccc3c4cccc(c1[N+](=O)[O-])c24,mutagenic +OC(=O)c1cc(O)c2C(=O)c3c(O)cc(O)cc3C(=O)c2c1,non-mutagenic +CN(C)c1nc2c3cccnc3ccc2n1C,mutagenic +CN(C)CCCN1c2ccccc2CCc3ccccc13,non-mutagenic +Cn1cc2cccc(c2n1)[N+](=O)[O-],mutagenic +c1ccc2c(c1)c3cccc4ccc5cccc2c5c34,mutagenic +CC(=O)c1cc(cc2c1CCC2(C)C)C(C)(C)C,non-mutagenic +CC(C)CCCCCOC(=O)C=C,non-mutagenic +[O-][N+](=O)c1ccc2C(=O)NC(=O)c2c1,mutagenic +Cc1ccc2c(ccc3ccccc23)c1,mutagenic +Nc1cc(ccc1CO)[N+](=O)[O-],mutagenic +Fc1ccc(cc1)C(=O)CCCN2CCN(CC2)c3ccccn3,non-mutagenic +COc1ccc(CNCC(O)COc2ccc3nc(O)ccc3c2)cc1OC,non-mutagenic +CCC(Cl)CC(Cl)CC(C)Cl,non-mutagenic +OC(=O)c1cc(Br)cc2cccnc12,non-mutagenic +CCCCCN(N=O)C(=N)N[N+](=O)[O-],mutagenic +CN(C)CCCNc1c2ccccc2nc3c(ccc(c13)[N+](=O)[O-])N(C)C,mutagenic +CC1(OO)c2ccccc2c3ccccc13,mutagenic +Clc1nc2ccccc2nc1Cl,non-mutagenic +OC1C(O)c2ccc3c(ccc4ccccc34)c2C5OC15,mutagenic +[O-][N+](=O)c1ccc2c(Cc3cc(ccc23)[N+](=O)[O-])c1,mutagenic +OC(=O)c1cc(ccc1[N+](=O)[O-])[N+](=O)[O-],mutagenic +CNc1snc2ccccc12,non-mutagenic +OC(=O)C1CSCN1C(=O)C2CCC(=O)N2,non-mutagenic +[O-][N+](=O)c1ccc2c3ccccc3c4ccc(c1c24)[N+](=O)[O-],mutagenic +CCCOc1cc2C(=O)CCc2c3ccc4ccccc4c13,non-mutagenic +CNC(=O)c1c(ncn1C)N(C)N=O,non-mutagenic +COc1cc(cc(OC)c1O)C2C3C(COC3=O)C(OC4OC5COC(C)OC5C(O)C4O)c6cc7OCOc7cc26,non-mutagenic +OC(=O)C\C(=C\C(=O)O)\C(=O)O,non-mutagenic +OC1C=Cc2cccnc2C1O,non-mutagenic +OC1C=CC2OC2C1O,mutagenic +CC1(C)C2CCC1(C)C(=O)C2=O,non-mutagenic +Oc1c2nc3ccccc3c2nnn1\N=C\c4ccc(Cl)cc4,mutagenic +CC12CCC3C(CCC4CC(CCC34C)OC(=O)\C=C\c5cccc(c5)N(CCCl)CCCl)C1CCC(=O)N2,mutagenic +CC(=O)C(Cl)Cl,mutagenic +C[C@@H](O)CN(C[C@@H](C)O)N=O,mutagenic +OS(=O)(=O)c1ccc2NC(=O)C(=O)c2c1,mutagenic +CCCC(=O)OCc1cccc(c1)[N+](=O)[O-],non-mutagenic +CN(C)CCNC(=O)c1cccc2cc3ccccc3cc12,mutagenic +CC1=C(Cl)C(=O)OC1O,mutagenic +c1ccc2c(c1)[nH]c3cnccc23,mutagenic +N[C@H](CS)C(=O)O,mutagenic +[O-][N+](=O)c1cccc(CCl)c1,mutagenic +CCN(CC)CCC[C@@H](C)Nc1cc(OC)cc2cccnc12,mutagenic +CC(CC=O)c1ccc(cc1)C(C)(C)C,non-mutagenic +O=Nc1ccc2ccc3c4ccccc4cc5ccc1c2c35,mutagenic +CCc1nc(N)nc(N)c1c2ccc(Cl)cc2,non-mutagenic +Br\C(=C/c1ccccc1)\C=O,mutagenic +COC(=O)CCCCC(=O)OC,non-mutagenic +OS(=O)(=O)Oc1ccc2ccc3c4ccccc4cc5ccc1c2c35,non-mutagenic +CN(C)c1ccc(cc1)C(=N)c2ccc(cc2)N(C)C,mutagenic +Oc1c(cc(cc1[N+](=O)[O-])c2ccccc2)[N+](=O)[O-],mutagenic +Oc1ccc2c(ccc3c4ccccc4ccc23)c1,mutagenic +CC(C)(C)c1ccc(cc1)c2ccc(cc2)N=O,mutagenic +Cc1cc2ncccc2c3nc(N)n(C)c13,mutagenic +Clc1cc(Cl)nc(Cl)n1,non-mutagenic +Nc1c(N=Nc2ccc(cc2)[N+](=O)[O-])c(cc3cc(c(N=Nc4ccccc4)c(O)c13)S(=O)(=O)O)S(=O)(=O)O,mutagenic +CCOc1ccccc1[N+](=O)[O-],mutagenic +N1C2C1c3cc4ccccc4cc3c5ccccc25,mutagenic +C=C[C@H]1CO1,mutagenic +S=C(NC1CCCCC1)NC2CCCCC2,non-mutagenic +CCN(CC)CC#CCOC(=O)C(O)(C1CCCCC1)c2ccccc2,non-mutagenic +CCC(=O)\N=C\1/SN(C(=O)CC)c2ccc(cc12)[N+](=O)[O-],mutagenic +Nc1cc(ccc1O)S(=O)(=O)O,non-mutagenic +CCCCCCCCCCCCCCCCCCOC(=O)CCc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C,non-mutagenic +CCOc1ccc(cc1NC(=O)C(=O)Nc2ccccc2CC)C(C)(C)C,non-mutagenic +ON=C,non-mutagenic +Oc1c(Cl)cc(Cl)c2cccnc12,non-mutagenic +Nc1nc(c(CCO)c2ncnn12)c3ccccc3,non-mutagenic +Brc1cc(Br)c(OCCOc2c(Br)cc(Br)cc2Br)c(Br)c1,non-mutagenic +CC1(C(Cl)Cl)C2C(Cl)C(Cl)C1(C(Cl)Cl)C(Cl)C2Cl,non-mutagenic +Nc1ccc2ccc3ccccc3c2n1,mutagenic +ClC(=C1OC(=O)C(=C1Cl)Cl)Cl,mutagenic +CC12CCCC(C)(C1CCC34CC(CCC23)C(=C)C4)C(=O)O,non-mutagenic +Cn1c(N)nc2ccc(cc12)C#N,mutagenic +Oc1c(Br)cc(cc1Br)C#N,non-mutagenic +CC(C)N(N)C(C)C,mutagenic +CC1CN(CCN1)c2cc3N(C=C(C(=O)O)C(=O)c3c(C)c2F)C4CC4,non-mutagenic +C=C1CC(=O)O1,non-mutagenic +CC(=O)Nc1ccc(Oc2ccc(cc2)N(O)C(=O)C)cc1,mutagenic +CCCC[C@@H](CC)COCCCN,non-mutagenic +Cn1c(ncc1[N+](=O)[O-])[C@H]2NC(CO)(CO)CO2,mutagenic +CNc1ncn(C)c1C(=O)N(C)N=O,mutagenic +C[Si](C)(C)O,non-mutagenic +Oc1cc(ccc1[N+](=O)[O-])[N+](=O)[O-],mutagenic +COc1cc(ccc1N)c2ccc(N)c(OC)c2,mutagenic +CCOc1ccc(N)cc1N,mutagenic +[O-][N+](=O)c1cccc2c3ccccc3cc(c12)[N+](=O)[O-],mutagenic +CC12CCCC(C)(C1CCC34CC(O)(CCC23)C(=C)C4=O)C(=O)O,mutagenic +Cn1c(N)nc2nc3ccncc3cc12,non-mutagenic +c1ccc(nc1)c2cccnc2,mutagenic +CCOCCc1c(nc(N)n2ncnc12)c3ccccc3,non-mutagenic +COC(=O)c1ccc(CN(C)N=O)cc1,non-mutagenic +CCOC(=O)N(N=O)C(CCC=O)c1cccnc1,mutagenic +CN1C(CCC1=O)c2cccnc2,non-mutagenic +Nc1cc(c2cccc(c2c1)S(=O)(=O)O)S(=O)(=O)O,non-mutagenic +OC(=O)CCC(=O)O,non-mutagenic +Nc1cc(Cl)c(Cl)c(Cl)c1,non-mutagenic +CCNCC#CC(C)(C)OC(=O)C(O)(C1CCCCC1)c2ccccc2,non-mutagenic +CN1CCN(C)CC1,non-mutagenic +N\C(=N/O)\c1cc(O)c(O)c(O)c1,mutagenic +CNC,non-mutagenic +Cc1c(Br)c(Br)c(Br)c(Br)c1Br,non-mutagenic +O[C@@H]1c2ccccc2c3ccc(cc13)[N+](=O)[O-],mutagenic +OCCCN=N,mutagenic +CC=O,non-mutagenic +OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,non-mutagenic +O1C2C1c3cc4cc5ccccc5cc4c6cccc2c36,mutagenic +OCC#C,mutagenic +[O-][N+](=O)c1cc2CCc3cc(cc4CCc(c1)c2c34)[N+](=O)[O-],mutagenic +OCCCCN(CCO)N=O,mutagenic +[O-][N+](=O)c1oc(\C=N\c2snc3ccccc23)cc1,mutagenic +OCC(CN=N#N)Cc1ccccc1,mutagenic +Brc1ccc2C3CCCCC3C=Cc2c1,non-mutagenic +Cc1cc(N)sn1,mutagenic +CON(C)C(=O)Nc1ccc(Cl)c(Cl)c1,mutagenic +OC(CN=N#N)CN1C=CC(=O)NC1=O,mutagenic +O=NN(c1ccccc1)c2ccccc2,non-mutagenic +S=C1SSC2=NCCN12,non-mutagenic +COC(=O)[C@H]([C@H]1CCCCN1)c2ccccc2,non-mutagenic +Cc1ccc(CC2CO2)cc1,mutagenic +O=C1CCCCCN1,non-mutagenic +Cn1c(N)nc2c3cccnc3ccc12,mutagenic +C[C@@H](O)CN(C)N=O,mutagenic +Oc1cc2cccc3ccc4c(ccc1c4c23)[N+](=O)[O-],mutagenic +O1C=CC=Cc2c1c3cc4ccccc4cc3c5ccccc25,mutagenic +OC(=O)C1Cc2c([nH]c3ccccc23)C(N1)c4ccccc4,non-mutagenic +CC(=O)Nc1ccc(Cc2ccc(NC(=O)C)c(Cl)c2)cc1Cl,mutagenic +ClCCOC\C(=C/Cl)\Cl,mutagenic +O=Cc1cccc(c1)c2ccccc2,non-mutagenic +CC(O)Cc1cc(N)cc(c1N)[N+](=O)[O-],non-mutagenic +COC(=O)NC(=S)Nc1ccccc1NC(=S)NC(=O)OC,mutagenic +COC(=O)CC(=O)OC,non-mutagenic +Nc1cc(Cl)ccc1O,mutagenic +Cc1cc2nc(N)sc2cc1C,mutagenic +CC(C)(S)C(=O)NC(CS)C(=O)O,non-mutagenic +c1ccc2c(c1)ccc3c2ccc4ccc5ccccc5c34,mutagenic +Clc1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1Cl,non-mutagenic +Cc1nc2ccc3c(nc(N)n3C)c2nc1C,mutagenic +Nc1ccccc1[N+](=O)[O-],non-mutagenic +c1cc[nH]c1,non-mutagenic +FC(F)(F)I,mutagenic +Cc1nc2ccc(N)c(C)c2nc1C,mutagenic +COC1=CC(=O)C(=O)C(=C1)C(C)(C)C,non-mutagenic +Cc1c(N)cc(cc1N)[N+](=O)[O-],mutagenic +C[C@H]1C[C@H]2OC(=O)[C@H](C)[C@H]2C[C@@]3(C)[C@H](O)C[C@H](O)C[C@H]13,mutagenic +Cc1nc(O)c(cc1c2ccncc2)C#N,non-mutagenic +[O-][N+](=O)c1cc(c2ccc3cccc4ccc1c2c34)[N+](=O)[O-],mutagenic +CC(=O)NNc1ccc(CO)cc1,mutagenic +Clc1c(Cl)c(Cl)c2c(Cl)c(Cl)c(Cl)c(Cl)c2c1Cl,non-mutagenic +CC(=O)OC1Cc2cc3cccc4ccc5ccc1c2c5c34,mutagenic +Cc1cc(c(N)c(N=Nc2ccc(cc2C)c3ccc(N=Nc4ccc(O)c(c4)C(=O)O)c(C)c3)c1N)S(=O)(=O)O,mutagenic +NNc1ccc(cc1)[N+](=O)[O-],mutagenic +CC[C@@H](C)[C@H](C)CO,non-mutagenic +[O-][n+]1cc2cccnc2cn1,non-mutagenic +Nc1ccc(cc1Cl)c2cc(Cl)c(N)c(Cl)c2,mutagenic +[O-][n+]1cccc2C3OC3C=Cc12,non-mutagenic +Cl\C=C/Cl,non-mutagenic +CC(=O)Nc1cccc(O)c1,non-mutagenic +NC(=O)C1CCCN1C(=O)C(Cc2c[nH]cn2)NC(=O)C3CCC(=O)N3,non-mutagenic +Oc1ccc(\C=N\c2snc3ccccc23)cc1,mutagenic +CC(=O)c1ccc(cc1)N=O,mutagenic +CC(C)NC[C@@H]1CCc2cc(CO)c(cc2N1)[N+](=O)[O-],mutagenic +CC(C)(OO)c1ccccc1,mutagenic +Nc1ccc(N)c2C(=O)c3c(cccc3[N+](=O)[O-])C(=O)c12,mutagenic +OC(=O)CN(CC(=O)O)CC(=O)O,non-mutagenic +COC1=C(OC)C(=O)C(=C(C)C1=O)C\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CCC=C(C)C,non-mutagenic +C[C@H](CCc1ccccc1)c2ccccc2,non-mutagenic +Cc1ccc2nc3cc(C)c(N)cc3nc2c1N,mutagenic +CS(=O)C,non-mutagenic +CNC(=O)c1ccccc1,non-mutagenic +[O-][N+](=O)c1oc(cc1)c2csc(NNC=O)n2,mutagenic +COCCOC,mutagenic +Oc1cccc2c1ccc3[nH]c4ccc5ccccc5c4c23,mutagenic +COP(=O)(O)O,non-mutagenic +CCCCOC(=O)C,non-mutagenic +ClC1=C(Cl)C(Cl)(C(=C1Cl)Cl)C2(Cl)C(=C(Cl)C(=C2Cl)Cl)Cl,mutagenic +[O-][N+](=O)c1ccc2ccc3c4CCCCc4cc5ccc1c2c35,mutagenic +OC(=O)c1ccccc1Nc2cccc(c2)C(F)(F)F,non-mutagenic +COc1ccc(CCl)cc1,non-mutagenic +ClC(Cl)C(=O)C(Cl)Cl,mutagenic +OC1C(O)c2cc3ccc(cc3cc2CC1=O)[N+](=O)[O-],non-mutagenic +CC[C@H]1CO1,mutagenic +Cc1nc2c(C)c(C)c3c(nc(N)n3C)c2nc1C,mutagenic +C=CN=Nc1ccccc1,mutagenic +CN1C[C@@H](c2ccccc2)c3cccc(N)c3C1,non-mutagenic +CCOC(=O)C1=Cc2cc3CCCN4CCCc(c2OC1=O)c34,non-mutagenic +Oc1ccc(\C=C\C(=O)c2ccccc2)cc1,non-mutagenic +OC(=O)CC(NC(=O)COc1ccc(Cl)cc1Cl)C(=O)O,non-mutagenic +Oc1ccc(O)c(O)c1,mutagenic +CNC=O,non-mutagenic +Fc1cccc2c1ccc3cccnc23,mutagenic +NC1=NC(=O)N(C=C1O)C2CC(O)C(CO)O2,non-mutagenic +[O-][N+](=O)c1ccc2ccc3cccc4C(=O)Oc1c2c34,mutagenic +CC(NCc1ccccc1)C(=O)NCc2ccccc2,non-mutagenic +CC(C)(C)C(=O)C1C(=O)c2ccccc2C1=O,non-mutagenic +Cc1ccc(cc1C)[N+](=O)[O-],mutagenic +Cc1ccc2C(=O)N3C=C(CC3C(O)Nc2c1O)\C=C\C(=O)N,mutagenic +COC(=C1[C@H](C(=C(C)N=C1C)C(=O)OCC(=O)C)c2ccccc2[N+](=O)[O-])O,non-mutagenic +CS(=O)(=O)Nc1ccc(Nc2c3ccc(cc3nc4cc(ccc24)N=N#N)N=N#N)cc1,mutagenic +[O-][N+](=O)c1cccc(c1C=O)[N+](=O)[O-],mutagenic +Oc1ccc2c(c1)c3ccccc3c4cc5ccccc5cc24,mutagenic +C1CCc2c(C1)cc3c4ccccc4cc5c6ccccc6c2c35,mutagenic +N\C(=N/OC1OC(C(O)C(O)C1O)C(=O)O)\c2ccccc2,non-mutagenic +CN\C(=C\[N+](=O)[O-])\NCCSCc1oc(CN(C)C)cc1,non-mutagenic +O=Nc1c2ccccc2c3ccc4cccc5ccc1c3c45,mutagenic +OC(=O)c1cc(Cl)ccc1Cl,non-mutagenic +CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N(CC(=O)O)C2Cc3ccccc3C2,non-mutagenic +[O-][N+](=O)c1cccc2c3cccc4cccc(c12)c34,mutagenic +CC(=O)Oc1ccc(CCl)cc1,mutagenic +Oc1[nH]cnc2nncc12,non-mutagenic +Nc1ccccc1O,mutagenic +O=NN1CCSCC1,mutagenic +CC1(CO1)C=C,non-mutagenic +CNC1Cc2cccc3cccc(C1)c23,mutagenic +C[n+]1c2ccccc2cc3cc(N)ccc13,mutagenic +Oc1cc2ccccc2c3ccc4ccccc4c13,non-mutagenic +CN1CC(=C[C@@H]2[C@H]1Cc3cn(CC=C)c4cccc2c34)CO,mutagenic +Nc1ncnc2c1ncn2Cc3ccccc3,mutagenic +Nc1ccc(Cc2ccc(N)c(Cc3ccc(N)cc3)c2)cc1,mutagenic +CC(C)CON=O,mutagenic +Cc1ccc(cc1N(CCCl)CCCl)C(O)(P(=O)(O)O)P(=O)(O)O,mutagenic +CCOC(OCC)\C=C(\C)/CCC=C(C)C,non-mutagenic +CCCc1ccc2OCOc2c1,non-mutagenic +CC(C)n1c(\C=C\[C@H](O)C[C@@H](O)CC(=O)O)c(c2ccc(F)cc2)c3ccccc13,non-mutagenic +CC[N+](=C1C=CC2=Nc3c(OC2=C1)cc(N)c4ccccc34)CC,mutagenic +Nc1ccc(N)c2ccccc12,mutagenic +Cl\C=C(/Cl)\C(Cl)Cl,mutagenic +CCOC(=O)C(C)(C)Oc1ccc(Cl)cc1,non-mutagenic +OCC(O)C(O)C(O)C(NC(=O)N(CCCl)N=O)C=O,mutagenic +Cc1cc(O)c2C(=O)c3c(O)cc(O)c(O)c3C(=O)c2c1,mutagenic +Oc1cccc(O)c1,non-mutagenic +CC(=O)OCc1c2ccccc2cc3c1ccc4ccccc34,mutagenic +Cc1cc(cc(C)c1N)c2cc(C)c(N)c(C)c2,non-mutagenic +CC(=C)c1ccc(C)c2ccc(C=O)c2c1,mutagenic +COc1ccc2cc(c3C=CC(=O)Oc3c2c1)[N+](=O)[O-],mutagenic +CC(=O)C1=CCC2C3=CCC4=CC(O)C(O)CC4(C)C3CC(O)C12C,non-mutagenic +OC(=O)c1c(Cl)cccc1Cl,non-mutagenic +CC(C)(C)NC(=O)SCC(NC(=O)CCC(N)C(=O)O)C(=O)NCC(=O)O,non-mutagenic +CC(=O)Nc1ccc(cc1)C(=O)O,non-mutagenic +[O-][N+](=O)OCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-],non-mutagenic +[O-][N+](=O)\C=C\c1occc1,non-mutagenic +COC1=CC(=O)C=CC1=O,non-mutagenic +[O-][N+](=O)c1ccc(cc1)C(=O)OC[C@H]2CO2,mutagenic +CN(OC(=O)C)c1ccc(cc1)N=Nc2ccccc2,mutagenic +COc1ccc(\C=C\C)c(OC)c1,non-mutagenic +ClC1=C(CBr)COC1=O,mutagenic +Cc1cccc2ccc(cc12)[N+](=O)[O-],mutagenic +O[C@@H]1CCO[P@](=O)(N1)N(CCCl)CCCl,mutagenic +OC1(CCCCC1)C#N,non-mutagenic +ONC(=O)c1ccc(O)c(O)c1,mutagenic +CC(C)CC1NC(=O)CNC1=O,non-mutagenic +C(=C\c1ccccc1)/c2ccccc2,non-mutagenic +Cc1c(cc(cc1[N+](=O)[O-])N=[N+]([O-])c2cc(c(C)c(c2)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],mutagenic +Nc1nc(nc2c1ncn2c3ccc(cc3)[N+](=O)[O-])c4ccc(cc4)[N+](=O)[O-],mutagenic +Oc1c(Br)c(Br)c(Br)c(Br)c1Br,non-mutagenic +C[C@@H](O)COC(C)(C)C,mutagenic +CC(C)[C@@H]1NC(=O)[C@@H](NC(=O)C2=C(N)C(=O)C(=C3Oc4c(C)ccc(C(=O)N[C@H]5[C@@H](C)OC(=O)[C@@H](C(C)C)N(C)C(=O)CN(C)C(=O)[C@@H]6CCCN6C(=O)[C@@H](NC5=O)C(C)C)c4N=C23)C)[C@H](C)OC(=O)[C@H](C(C)C)N(C)C(=O)CN(C)C(=O)[C@@H]7CCCN7C1=O,non-mutagenic +O=NN1CCCCCCC1,mutagenic +Oc1ccc(cc1)S(=O)(=O)c2ccc(O)cc2,non-mutagenic +OC1(O)C(=O)NC(=O)NC1=O,non-mutagenic +CC(C(=O)O)c1ccc2c(c1)[nH]c3ccc(Cl)cc23,non-mutagenic +CC[C@@H](CO)[N+](=O)[O-],non-mutagenic +OC(=O)CCCc1ccc(NCCCl)cc1,mutagenic +Cc1ccc(Cl)cc1,non-mutagenic +OC(COc1cccc2OC(=CC(=O)c12)C(=O)O)COc3cccc4OC(=CC(=O)c34)C(=O)O,non-mutagenic +Fc1cc2cccnc2c3ncccc13,mutagenic +Cc1cc(C)c2nsnc2c1N,mutagenic +ONc1cccc(c1)c2ccccc2,non-mutagenic +Nc1ccc2ccccc2c1S(=O)(=O)O,mutagenic +OC(=O)Cc1ccccc1Nc2c(Cl)cccc2Cl,non-mutagenic +OC(=O)CCCc1c[nH]c2ccccc12,non-mutagenic +C1Cc2ccc3nc4ccc5ccccc5c4cc3c2C=C1,mutagenic +Oc1cc2c(ccc3ccc4cccc1c4c23)[N+](=O)[O-],mutagenic +Oc1c(Cl)cc(Cl)cc1Cl,non-mutagenic +Cc1occc1,non-mutagenic +C=CCNCC=C,non-mutagenic +Cc1cc(cc(c1O)[N+](=O)[O-])[N+](=O)[O-],non-mutagenic +OC1COC(Nc2ccc(cc2)C(=O)O)C(O)C1O,non-mutagenic +CC(=O)C1(C)OC12C(=O)C=Cc3ccccc23,non-mutagenic +CCc1c2ccccc2c(CC)c3c1ccc4ccccc34,non-mutagenic +CC(=O)c1ccc[nH]1,mutagenic +COc1cc(N)c(OC)cc1N,mutagenic +O1c2ccccc2Sc3ccccc13,non-mutagenic +[O-][N+](=O)c1ccc2c(c1)c3nc4ccccc4c5c6ccccc6nc2c35,mutagenic +COc1cc2C(=O)c3cc(C)cc(O)c3C(=O)c2c(O)c1O,mutagenic +C=Cc1cccnc1,non-mutagenic +CC1(C)S[C@@H]2[C@@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(=O)O,non-mutagenic +Nc1ccc2ccc3cccc4ccc1c2c34,mutagenic +CCCCCC[C@H](O)C\C=C/CCCCCCCC(=O)O,non-mutagenic +OCCSN=O,mutagenic +O=NN1CCNC1=O,mutagenic +CCc1cccc2c3CCOC(CC)(CC(=O)O)c3[nH]c12,non-mutagenic +C\C=C\Cl,mutagenic +Nc1c(cc(c2ccccc12)S(=O)(=O)O)N=Nc3ccc(cc3)c4ccc(cc4)N=Nc5cc(c6ccccc6c5N)S(=O)(=O)O,mutagenic +[O-][N+](=O)c1ccc(OC[C@H]2CO2)cc1,mutagenic +c1ccc2c(c1)ccc3c4ccccc4sc23,mutagenic +Oc1ccccc1Nc2ccc(cc2[N+](=O)[O-])[N+](=O)[O-],mutagenic +C1O[C@@H]1c2ccc3ccc4cccc5ccc2c3c45,mutagenic +CC(C)[N+](=O)[O-],mutagenic +OCC(O)COP(=O)(O)O,non-mutagenic +Oc1cc(cc(O)c1O)C(=O)OCC2OC(OC(=O)c3cc(O)c(OC(=O)c4cc(O)c(O)c(O)c4)c(O)c3)C(OC(=O)c5cc(O)c(O)c(O)c5)C(OC(=O)c6cc(O)c(O)c(O)c6)C2OC(=O)c7cc(O)c(O)c(O)c7,non-mutagenic +CCN(CC)N=O,mutagenic +CC(=O)c1ccc(cc1)[N+](=O)[O-],mutagenic +COc1c(O)c2N(CCc2c3cc([nH]c13)C(=O)N4CCc5c4c(O)c(OC)c6[nH]c(cc56)C(=O)N7CC8CC89C7=CC(=O)c%10[nH]cc(C)c9%10)C(=O)N,non-mutagenic +COC12OOC1(C)Oc3ccccc23,mutagenic +COc1cc2c(CCNC(=O)C)c[nH]c2cc1O,non-mutagenic +C[Si](C)(C)CN(N=O)C(=O)N,mutagenic +ClC(CBr)CBr,mutagenic +Cc1ccc(Nc2ccc(cc2)[N+](=O)[O-])cc1,mutagenic +CC(C)OC(=O)C[C@@](O)(CC(=O)O)C(=O)O,non-mutagenic +OC[C@H](O)[C@H]1OC(=C(O)C1=O)O,non-mutagenic +O[C@H]1C=C2c3ccc4ccccc4c3c5cccc([C@@H]1O)c25,mutagenic +CN(C)CNc1oc(\C=C\c2oc(cc2)[N+](=O)[O-])nn1,mutagenic +O=C1CCO1,mutagenic +NC(=O)c1ccccc1O,non-mutagenic +CC1CCN(CC1)N=O,mutagenic +C[Si](C)(CCCOCC1CO1)c2ccc(cc2)[Si](C)(C)CCCOCC3CO3,mutagenic +CC(C)(C)OC[C@H]1CO1,mutagenic +ClC(=O)c1ccc(Cl)cc1Cl,mutagenic +Cc1ccc(O)c(C)c1,mutagenic +CC(=O)ON(C(=O)C)c1ccc2c(Cc3ccccc23)c1,mutagenic +NCCCCCCCCCCC(=O)O,non-mutagenic +NCCCl,mutagenic +Oc1cccc2ccc[n+]([O-])c12,non-mutagenic +CCCCc1ccc(cc1)\N=C/c2ccc(OC)cc2,mutagenic +CN1C(=O)NC(=O)c2c1ncn2C,non-mutagenic +CC(O)CC(=O)Nc1ccc(O)cc1,non-mutagenic +OC(=O)c1ccc(cc1)[N+](=O)[O-],mutagenic +CC1CC23CCC4C(C)(CCCC4(C)C(=O)O)C2CCC1(O)C3,non-mutagenic +O=C1CCCCC1=O,mutagenic +CCC\C=C\C=O,mutagenic +[O-][N+](=O)c1cccc(NS(=O)(=O)c2cccc3cccnc23)c1,non-mutagenic +OC(=O)C(Cl)CCl,non-mutagenic +C=CC=O,mutagenic +[O-][N+](=O)c1cc(cs1)C(=O)Nc2ccccc2Br,mutagenic +CCCCCCCCCCCCCCCC(=O)OCC(O)C1OC(=C(O)C1=O)O,non-mutagenic +CC(=O)N(CC(O)CO)c1c(I)c(C(=O)NCCO)c(I)c(C(=O)NCC(O)CO)c1I,non-mutagenic +ClP(=O)(N1CCOC1=O)N2CCOC2=O,mutagenic +ClC1=C(Cl)C(=O)OC1,mutagenic +[O-][N+](=O)c1ccc2Oc3cc(Cl)c(Cl)cc3Oc2c1,mutagenic +NC(CSC(F)(F)C(F)(F)C(F)F)C(=O)O,non-mutagenic +COP(=O)(OC)O\C(=C/C(=O)O[C@@H](C)c1ccccc1)\C,non-mutagenic +COC(=O)c1occc1,non-mutagenic +OCc1ccc(O)cc1,non-mutagenic +CCCC[C@@H](CC)COP(=O)(Oc1ccccc1)Oc2ccccc2,non-mutagenic +c1ccc(nc1)c2cccc(n2)c3ccccn3,mutagenic +Nc1ccc(\C=C\c2cccc(Cl)c2)cc1,mutagenic +CS(=O)(=O)c1ccc(Cl)cc1,non-mutagenic +CN(C)C(=O)Oc1ccc[n+](C)c1,non-mutagenic +CC(Cc1ccc(O)c(O)c1)C(C)Cc2ccc(O)c(O)c2,non-mutagenic +c1ccc2c(c1)ncc3cnc4ccccc4c23,non-mutagenic +C=CC#N,mutagenic +COC(=O)Nc1nc2cc(O)ccc2[nH]1,non-mutagenic +OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(NO)ncnc23,mutagenic +CCN(CC)c1ccc(cc1)N=Nc2ccccc2,non-mutagenic +CCOCCOC(=O)\C=C/c1ccc(OC)cc1,non-mutagenic +Nc1nc2ccccc2[nH]1,non-mutagenic +N[C@H](Cc1c[nH]c2ccccc12)C(=O)O,non-mutagenic +CC(C)(C)OC(=O)CN=N#N,mutagenic +[O-][N+](=O)c1ccc2nc3ccccc3nc2c1,mutagenic +Nc1cccc(c1N)[N+](=O)[O-],mutagenic +CCN(C(=O)C)c1ccc2c(Cc3ccccc23)c1,mutagenic +C[C@H](I)[C@@H]1OC[C@@H](CO)O1,mutagenic +Cc1cc(c(C)c2c3ccccc3[nH]c12)[N+](=O)[O-],mutagenic +Oc1ccc2C3C4OC4C(=O)c5c(O)ccc(C6C7OC7C(=O)c1c26)c35,mutagenic +CCCCCCOC(=O)C(=C)C,non-mutagenic +CS(=O)(=O)OCCc1ccc(OCc2ccccc2)cc1,mutagenic +CC1(C)CCCC2(C)C1CC=C(C=O)C2C=O,non-mutagenic +Nc1ccc(Br)cc1,non-mutagenic +OC(=O)c1cc(ccc1O)N=Nc2ccc(cc2)[N+](=O)[O-],mutagenic +Cc1ccc2nc3c4ccccc4C(O)C(O)c3c(C)c2c1,non-mutagenic +Nc1cc2c3ccccc3ccc2c4ccccc14,mutagenic +CCCCON(OC(=O)C)C(=O)c1ccc(cc1)[N+](=O)[O-],mutagenic +NC(CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)C(=O)O,non-mutagenic +Cc1ccccn1,non-mutagenic +Clc1ccc(NS(=O)(=O)c2cccc3cccnc23)c(Cl)c1,non-mutagenic +CCCCCCCCCCCCCCCCCC(=O)OCC(O)CO,non-mutagenic +Cn1c(N)nc2ncc(cc12)c3ccccc3,mutagenic +Cc1ccc2cc3ccc4ccccc4c3nc2c1,mutagenic +CNCCCC(=O)O,non-mutagenic +O=C\C=C/c1ccccc1,mutagenic +ClC(Cl)(Cl)Cl,non-mutagenic +OC\C=C\c1ccccc1,non-mutagenic +O=C1CCCO1,non-mutagenic +Cc1ccc2ccc3ccccc3c2c1C,non-mutagenic +CC(C)(C)NCC(O)COc1cccc2CC(O)C(O)Cc12,non-mutagenic +COC1=NC(=O)N(CC(O)CN=N#N)C=C1C,mutagenic +CN[N+](=O)[O-],non-mutagenic +CC(=CCC1CCCC1=O)C,non-mutagenic +Fc1ccc2ncccc2c1F,mutagenic +Nc1cc(C(=O)O)c(O)c(c1)S(=O)(=O)O,non-mutagenic +CC(C)(c1ccc(O)cc1)c2ccc(O)cc2,non-mutagenic +Cc1c(C)c2c(N)c3ccccc3nc2c4ccccc14,mutagenic +CC(=O)OC1CC2C3(C)CCCC(C)(C)C3CCC2(C)C4CC=C(C=O)C(C=O)C14C,non-mutagenic +ClCCSCc1ccccc1,mutagenic +Cc1cc(C)cc(NO)c1,mutagenic +Nc1cccc2ncc(F)cc12,mutagenic +CCN(CCCl)c1ccc(CCCNc2c3ccccc3nc4ccccc24)cc1,mutagenic +C1COCCN1,non-mutagenic +Cc1ccc(cc1)N=Nc2c(O)ccc3ccccc23,non-mutagenic +O=Nc1cc2c3ccccc3ccc2c4ccccc14,mutagenic +S=C=Nc1cccc2ccccc12,mutagenic +CNC(=O)Oc1cc2ccccc2c3ccccc13,mutagenic +Oc1cc2C[C@@]3(O)COc4c(O)c(O)ccc4[C@@H]3c2cc1O,non-mutagenic +c1ccc2cc3c4ccccc4c5ccccc5c3cc2c1,mutagenic +ClC1=C(Cl)C(=O)N(N=C1)S(=O)(=O)c2ccc(Cl)cc2Cl,non-mutagenic +CC(C)NCC(O)COc1ccc(NC(=O)C)cc1,non-mutagenic +CC(=C)C(=O)OCC(C)(C)COC(=O)C(=C)C,non-mutagenic +CC(=O)OC1C(O)C(OC(=O)\C=C\c2ccc(O)cc2)C(CO)OC1OC34CC(C)(C)C(=O)C3C(C)(O)C5(CC5)C(=C4)C,mutagenic +CO\C(=C/C(=O)O)\C(=O)C(=C)C,mutagenic +O=C1CCc2ccc3ccc4ccccc4c3c12,non-mutagenic +CCCCOCCCC,non-mutagenic +CCNC(=N)N(N=O)[N+](=O)[O-],mutagenic +CNc1ccc2ncc(nc2c1C)c3ccccc3,mutagenic +CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC,non-mutagenic +CN1C(=O)N(C)c2ncn(C)c2C1=O,non-mutagenic +CN1CCc2cc3OCOc3c4c5ccccc5C(O)C1c24,mutagenic +CC(=C)C,non-mutagenic +CC1=CC(=O)Oc2c3OC4(C)OOC4(C)c3ccc12,mutagenic +Clc1ccc(C=O)cc1,non-mutagenic +CCCC(=O)OCc1ccc(cc1)[N+](=O)[O-],mutagenic +CC(Br)C(=O)NC(C)(C)C,non-mutagenic +CC1CCC2C(C)C3C(CC4C5CC=C6CC(O)CCC6(C)C5CCC34C)N2C1,non-mutagenic +Oc1cccc2c1ccc3[nH]c4cc(c5ccccc5c4c23)[N+](=O)[O-],mutagenic +OC1C=Cc2c(cc3c4ccccc4cc5c6ccccc6c2c35)C1O,mutagenic +Oc1cc2ccc3cc4ccccc4c5ccc(c1)c2c35,mutagenic +Oc1c2c3ccccc3c4ccc5ccc6cccc1c6c5c24,non-mutagenic +NNC(=O)c1[nH]c2ccccc2c1N,mutagenic +CCN(CC)CCNc1ccc2ncn3c4ccc(O)cc4C(=O)c1c23,mutagenic +C[Si](C)(C)O[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C,non-mutagenic +CCN(CC)c1cc(NC(=O)C)c(cc1OC)N=Nc2c(Br)cc(cc2[N+](=O)[O-])[N+](=O)[O-],mutagenic +CC(=O)OCC12CCC(=CC1OC3C(O)C(OC(=O)C)C2(C)C34CO4)C,non-mutagenic +CCN(CC)CCCN(C1Cc2ccccc2C1)c3ccccc3,non-mutagenic +CCOP(=S)(OCC)Oc1ccc2C(=C(Cl)C(=O)Oc2c1)C,non-mutagenic +Clc1cc(Cl)c(Cl)cc1Cl,non-mutagenic +Nc1ccc2c(c1)[nH]c3ccccc23,mutagenic +CC1(C)S[C@@H]2[C@@H](NC(=O)[C@@H](N)c3ccccc3)C(=O)N2[C@H]1C(=O)O,non-mutagenic +[O-][N+](=O)c1ccc2c(ccc3cc4c(ccc5ccccc45)cc23)c1,mutagenic +CC(=C)C1CO1,non-mutagenic +CCN1C=C(C(=O)O)C(=O)c2cc(F)c(nc12)N3CCNCC3,mutagenic +O=C1c2ccccc2c3ccc4ccccc4c13,non-mutagenic +C[C@@]12CC[C@@H](CC1)C(C)(C)O2,non-mutagenic +CCN(CC)C(=S)SSC(=S)N(CC)CC,non-mutagenic +CN1C(=O)CN=C(c2ccccc2F)c3cc(ccc13)[N+](=O)[O-],mutagenic +[O-][N+](=O)c1oc(C(=O)CBr)c(Cl)c1Cl,mutagenic +Cc1cc(O)cc2OC(=O)c3c(O)cc(O)cc3c12,non-mutagenic +CN(C)c1[nH]cnc2ncnc12,mutagenic +FC(F)(F)C(F)(F)C(Cl)Cl,non-mutagenic +Cc1ccc(cc1)S(=O)(=O)NC(=O)NN2CCCCCC2,non-mutagenic +Nc1cccc2nc3c(N)cccc3nc12,mutagenic +Cc1ncc(CNC(=O)N(CCCl)N=O)c(N)n1,mutagenic +CC(=O)Nc1ccc2ccc3cccc4ccc1c2c34,mutagenic +C1C=C[C@@H]2[C@@H]3C[C@@H](C=C3)[C@H]12,non-mutagenic +COCCOCCOCCOC,mutagenic +COC1(CCC(C)COC2OC(CO)C(O)C(O)C2O)OC3CC4C5CC=C6CC(CCC6(C)C5CCC4(C)C3C1C)OC7OC(CO)C(OC8OC(C)C(O)C(O)C8O)C(O)C7OC9OC(C)C(O)C(O)C9O,non-mutagenic +COC(=O)C(N)CSCCCl,mutagenic +c1ccc(cc1)N=Nc2ccccc2,mutagenic +Nc1ccccc1Cl,non-mutagenic +ClCCOP(=O)(OCCCl)OCCCl,non-mutagenic +C[C@]12[C@@H](O)C=C[C@@]3(OC1=O)[C@H]4CC[C@]5(O)C[C@]4(CC5=C)[C@H]([C@H]23)C(=O)O,non-mutagenic +CCC1=C(CC2NCCc3cc(OC)c(OC)cc23)CC4N(CCc5cc(OC)c(OC)cc45)C1,non-mutagenic +Clc1ccc2oc3ccccc3c2c1,mutagenic +OC(=O)COc1ccc(Cl)cc1Cl,non-mutagenic +CCN1C=C(C(=O)O)C(=O)c2ccc(C)nc12,non-mutagenic +CCCCCCCCOc1ccc(cc1)C(=O)O,non-mutagenic +ClCCl,mutagenic +Cc1cccc2C3NC3c4cc5ccccc5cc4c12,mutagenic +O=Nn1cc(CC#N)c2ccccc12,mutagenic +CC(C)CC(=O)C,non-mutagenic +OC(=O)COc1ccc(Cl)cc1,non-mutagenic +COc1ccc(cc1)c2nc(c3ccc(OC)cc3)c([nH]2)c4ccc(OC)cc4,mutagenic +ClC(=O)c1ccc(cc1)C(=O)Cl,mutagenic +CCCCCCCCC(=O)OCC=C,non-mutagenic +[O-][N+](=O)c1ccc2N(S\C(=N/C(=O)c3cccc(Cl)c3)\c2c1)C(=O)c4cccc(Cl)c4,mutagenic +Nc1c(O)cccc1C(=O)O,non-mutagenic +ClC1c2cccc3ccc4c5ccccc5cc1c4c23,mutagenic +COC(=O)c1cc2c3ccccc3[nH]c2c(n1)c4ccc5C(=O)C=CC(=O)c5n4,mutagenic +c1ccc2c(c1)ccc3ncccc23,mutagenic +CCN(CCCl)CCCNc1c2ccc(Cl)cc2nc3ccc(OC)nc13,mutagenic +C[C@@H](O)C[N+](C)(C)NC(=O)C(=C)C,non-mutagenic +ClCC(CCl)OP(=O)(OC(CCl)CCl)OC(CCl)CCl,mutagenic +COc1cc(c2ncccc2c1)[N+](=O)[O-],mutagenic +CCC(CCOCN1C=CN(C)C1\C=N\O)[N+](=O)[O-],non-mutagenic +CN(C)CCN(Cc1ccsc1)c2ccccn2,non-mutagenic +CCOC(=O)C(=O)C,non-mutagenic +Clc1ccc(Br)cc1,non-mutagenic +CCC(=O)C,non-mutagenic +CCC1(O)CC(OC2CC(C(OC3CC(O)C(OC4CC(O)C(O)C(C)O4)C(C)O3)C(C)O2)N(C)C)c5c(O)c6C(=O)c7c(O)ccc(O)c7C(=O)c6cc5C1C(=O)OC,mutagenic +O=C1CCc2ccccc2O1,non-mutagenic +N#C\C=C/C#N,non-mutagenic +Brc1ccc(cc1)C(=O)C2OC2c3ccccc3,non-mutagenic +OC[C@H](O)CI,mutagenic +CCCCC[C@@H](CC)OC(=O)c1cccc(c1)C(=O)O[C@H](CC)CCCCC,non-mutagenic +COC(=O)[C@@]1(O[C@@]1(C)[C@H](O)C(C)C)C(=O)N,mutagenic +Cc1cccc(NS(=O)(=O)c2cccc3cccnc23)c1,non-mutagenic +O1c2ccccc2Oc3ccccc13,non-mutagenic +[O-][N+](=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-],mutagenic +Cc1cccc2c1ccc3ccccc23,mutagenic +Cc1ccc(N=Nc2c(O)c(cc3cc(ccc23)S(=O)(=O)O)S(=O)(=O)O)c(C)c1,mutagenic +OCC1OC(CC1O)N2C=C(COO)C(=O)NC2=O,mutagenic +Cc1ccc2nc3c(ccc4ccccc34)c(CO)c2c1,mutagenic +Nc1ccccc1C(=O)O,non-mutagenic +COc1cccc2C(=O)c3c(O)c4CC(O)(CC(OC5CC(N)CC(C)O5)c4c(O)c3C(=O)c12)C(=O)CO,mutagenic +Nc1cccc(c1O)[N+](=O)[O-],non-mutagenic +COc1c(O)cc2CCN(C)C3Cc4ccccc4c1c23,mutagenic +CC1(C)C2CC3OC3(C)C1C2,non-mutagenic +Cn1c2ccccc2c3ccc(cc13)[N+](=O)[O-],mutagenic +CC(=O)Nc1ccc2ncccc2c1,mutagenic +Oc1cccc2C(=O)c3c(O)cccc3C(=O)c12,mutagenic +CC1(C)CC(C(=O)O)C(C)(C)N1O,non-mutagenic +OCCN(CCO)c1ccc(cc1)N=Nc2ccc(nc2)N(CCO)CCO,non-mutagenic +CCCCCN(CCCCC)CCCCC,non-mutagenic +COc1cc(OC)c2C3C(OC4OC34)Oc2c1,mutagenic +Clc1nncc2cccnc12,mutagenic +CC(C)CCCCCOC(=O)c1ccccc1C(=O)OCCCCCC(C)C,non-mutagenic +Cc1cccc(C)c1,non-mutagenic +CC(C)NC[C@@H](O)COc1cccc2ccccc12,non-mutagenic +OCc1ccc2c(CO)c3ccc4ccccc4c3nc2c1,non-mutagenic +Nc1ccc(Cl)cc1[N+](=O)[O-],mutagenic +CCCCCNC(=O)\C=C\c1oc(cc1)[N+](=O)[O-],mutagenic +BrCc1ccc(CBr)cc1,non-mutagenic +Clc1ccc(Oc2ccc(NC=O)cc2)c(Cl)c1,mutagenic +C[C@@H]1CC2C3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO,non-mutagenic +Oc1nc2ccccc2n1C3CCN(CCCC(c4ccc(F)cc4)c5ccc(F)cc5)CC3,non-mutagenic +Clc1nncc2ccncc12,non-mutagenic +Sc1ccccc1,non-mutagenic +Clc1cccnc1,non-mutagenic +Clc1ccc(CSc2ccc(Cl)cc2)cc1,non-mutagenic +CC(=O)\C(=N/O)\C,non-mutagenic +BrCBr,mutagenic +CCN(CC)CCCN,non-mutagenic +CC(\C=C(/C#N)\c1ccc(F)cc1)C(C(C#N)c2ccc(F)cc2)c3ccccc3,non-mutagenic +COc1c(Cl)c(Cl)c(c(Cl)c1Cl)[N+](=O)[O-],non-mutagenic +Cc1[nH]c2C(=O)C=C(N3CC3)C(=O)c2c4nc5ccccc5c14,mutagenic +CC(Cl)C(Br)CBr,mutagenic +Oc1c(cc(c(O)c1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],non-mutagenic +CN(C)c1nc(nc(n1)N(C)C)N(C)C,non-mutagenic +C1CCCCC1,non-mutagenic +OCC(O)C(O)C(O)C1SCCN1N=O,non-mutagenic +CN(C)CCO[C@@](C)(c1ccccc1)c2ccccn2,non-mutagenic +O1C2C1c3nc4ccc5ccccc5c4cc3c6ccccc26,mutagenic +CN(C)N=Nc1ccc(C)cc1,mutagenic +CC(=CCC[C@](C)(OC(=O)c1ccccc1N)C=C)C,non-mutagenic +Oc1ccc2ccc3c(ccc4ccc1c2c34)[N+](=O)[O-],mutagenic +CN(Cc1cccc(c1)C#N)N=O,mutagenic +c1cscn1,mutagenic +Cc1cc2c3cc4ccccc4cc3c5cccc(c1)c25,mutagenic +Clc1ccncc1,non-mutagenic +C[C@@H](O)COC[C@@H](C)O,non-mutagenic +CC(=O)Nc1ccc2c(Cc3ccccc23)c1OC(=O)c4ccccc4,non-mutagenic +Cc1c(C)c2c(ccc3ccccc23)c4CCC(=O)c14,mutagenic +C[C@@H](N)CN,non-mutagenic +CCC(=C)C(=O)c1ccc(OCC(=O)O)c(Cl)c1Cl,non-mutagenic +OC1C=Cc2cc3c(ccc4ccccc34)c(Br)c2C1O,non-mutagenic +NS(=O)(=O)c1cc(C(=O)O)c(NCc2occc2)cc1Cl,non-mutagenic +Oc1cccc2c3ccccc3c4cc5ccccc5cc4c12,non-mutagenic +CC(O)C(NC(=O)C(C)C(O)C(C)NC(=O)C(NC(=O)c1nc(nc(N)c1C)C(CNCC(N)C(=O)N)C(=O)N)C(OC2OC(CO)C(O)C(O)C2OC3OC(CO)C(O)C(OC(=O)N)C3O)c4c[nH]cn4)C(=O)NCCc5nc(cs5)c6nc(cs6)C(=O)NCCCN(C)CCCNC(=N)CC7CCC(Cl)CC7,mutagenic +CCN(Cc1cccc(c1)S(=O)(=O)O)c2ccc(cc2)C(=C3C=CC(=[N+](CC)Cc4cccc(c4)S(=O)(=O)O)C=C3)c5ccc(O)cc5S(=O)(=O)O,non-mutagenic +Fc1cccc2ncccc12,mutagenic +Cc1ccc(Cl)cc1N,non-mutagenic +C1COCCOCCOCCOCCOCCOCCO1,non-mutagenic +CC(C)(C)NCC(O)COc1ccccc1C2CCCC2,mutagenic +C1CS1,mutagenic +O=C1OCC=C1,non-mutagenic +OC1COC(C(O)C1O)N(CCc2c[nH]c3ccccc23)N=O,mutagenic +CN(CC(=O)NN)c1ccc2ccccc2c1,non-mutagenic +COc1nsc2cc(ccc12)[N+](=O)[O-],mutagenic +CC\C(=C(\c1ccc(OCCN(C)C)cc1)/c2ccc(OP(=O)(O)O)cc2)\c3ccc(cc3)C(C)C,non-mutagenic +[O-][N+](=Nc1ccc2c(Cc3ccccc23)c1)c4ccc5c(Cc6ccccc56)c4,non-mutagenic +CCC(=O)C(=O)C,non-mutagenic +CCCCC#N,non-mutagenic +CC(=O)N(O)c1ccc(Br)cc1,non-mutagenic +Cc1cccc(C)c1NO,mutagenic +CC(=O)C1=C(O)C=C(C)OC1=O,non-mutagenic +O1[C@@H]2[C@H]1c3ccccc3c4c2ccc5ccccc45,mutagenic +CC(C)C[C@@H](C)Nc1ccc(Nc2ccccc2)cc1,non-mutagenic +BrCc1c2ccccc2cc3c1ccc4ccccc34,mutagenic +C1Cc2ccc3c(ccc4ccccc34)c2C1,non-mutagenic +CC(C)(C)C1CCC2(CC1)CO2,non-mutagenic +Cc1cccc2cc(ccc12)[N+](=O)[O-],mutagenic +COc1cc(cc(OC)c1OC)C2OCC3C2COC3c4cc(OC)c(OC)c(OC)c4,non-mutagenic +CCC(CCC(C)O)COC(=O)c1ccccc1C(=O)O,non-mutagenic +CC1c2ccccc2c3cc(C)c(C)cc13,mutagenic +Cc1c2ccccc2c(C)c3ccccc13,mutagenic +OC(=O)Cc1c[nH]c2ccc(O)cc12,non-mutagenic +N#CSCSC#N,non-mutagenic +Cc1nc(N)c(C)c2[nH]c3ccccc3c12,mutagenic +[O-][N+](=O)c1cccc2nc3c(cccc3nc12)[N+](=O)[O-],non-mutagenic +Nc1ncnc2c1ncn2C[C@H](O)CN=[N+]=[N-],mutagenic +COc1ccc(\C=C\c2ccc(N)cc2)cc1,mutagenic +OC1C(Oc2c3ccccc3c4ccc5cccc6ccc2c4c56)OC(C(O)C1O)C(=O)O,non-mutagenic +Oc1ccc2ccc3[nH]c4cc(c5ccccc5c4c3c2c1)[N+](=O)[O-],mutagenic +O=C(ON=C1C=CC(=NOC(=O)c2ccccc2)C=C1)c3ccccc3,mutagenic +O=C1c2ccccc2c3c4OCOc4cc5ccnc1c35,mutagenic +BrCC#C,mutagenic +Cc1ccncc1,non-mutagenic +CC(N)CCN,non-mutagenic +CCCC(CCC)C(=O)O,non-mutagenic +CC(=O)Oc1cc(c2ccc3cccc4ccc1c2c34)[N+](=O)[O-],mutagenic +CCSCCOP(=S)(OC)OC,non-mutagenic +CC(C)COS(=O)(=O)c1ccccc1,mutagenic +N#N=NCCC(c1ccccc1)c2ccccc2,mutagenic +[O-][N+](=O)c1ccc2ccccc2c1,mutagenic +CN1CCN(CC1)c2c(F)cc3C(=O)C(=CN4N(C)COc2c34)C(=O)O,mutagenic +CCNC(=S)NCC,non-mutagenic +CCCC[C@@H](CC)CO,non-mutagenic +Oc1ccc(OP2(NP(NP(N2)(Oc3ccc(O)cc3)Oc4ccc(O)cc4)(Oc5ccc(O)cc5)Oc6ccc(O)cc6)Oc7ccc(O)cc7)cc1,non-mutagenic +ClCCNC(=O)Sc1[nH]cnc2ncnc12,mutagenic +CCCCCCCCCCCCC=C,non-mutagenic +CN(C)c1ccc(\C=C\C2=CC(=C(C#N)C#N)C=C(C)O2)cc1,mutagenic +Nc1c([nH]c2ccccc12)C(=O)N\N=C\c3ccccc3,non-mutagenic +CCOC1=CC(N(O)c2ccccc12)(c3ccccc3)c4ccccc4,non-mutagenic +CN(C)CCCNc1c2ccccc2nc3c(C)ccc(c13)[N+](=O)[O-],mutagenic +[O-][N+](=O)c1cccc2c3ccccc3[nH]c12,mutagenic +CCON(OC(=O)C)C(=O)c1ccccc1,mutagenic +Nc1cccc2nc3ccccc3cc12,mutagenic +O=C1Oc2cccc3ccc4c5ccccc5cc1c4c23,mutagenic +Oc1c(Br)cc(Br)cc1C(=O)Nc2ccc(Br)cc2,non-mutagenic +O=Cc1ccccc1,non-mutagenic +CCCCCCCCCCCC=C,non-mutagenic +CC(O)CN(CCN(CC(C)O)CC(C)O)CC(C)O,non-mutagenic +CC(C)c1ccc2Oc3nc(N)c(cc3C(=O)c2c1)C(=O)O,non-mutagenic +CC(=O)OCc1ccccc1,non-mutagenic +OCCNc1ccc(cc1)N=Nc2ccc(NCCO)cc2,mutagenic +COc1ccc(cc1)N=Nc2ccc(cc2)N(C)C,mutagenic +COC(=O)c1ccccc1C(=O)OC,non-mutagenic +BrCc1cccc(CBr)c1,non-mutagenic +[Se]([Se]c1ccccc1)c2ccccc2,mutagenic +Oc1c(Cl)cccc1Cl,non-mutagenic +Cc1cc2cc3ccccc3cc2c4ccccc14,mutagenic +[O-][N+](=O)c1cnc(s1)N2CCN(C(=O)C(Cl)Cl)C2=O,mutagenic +OCC(O)CN=N#N,mutagenic +Cc1c(cc(N)cc1[N+](=O)[O-])[N+](=O)[O-],mutagenic +CCc1ccc2c3ccccc3c4cccc1c24,non-mutagenic +FC(F)(F)c1cc2C(=O)CCc2c3ccc4ccccc4c13,mutagenic +O=C1NC(=O)[C@H]2CC=CC[C@@H]12,non-mutagenic +CN1CCC[C@@H]1c2cccnc2,non-mutagenic +Oc1ccc2Oc3cc(O)cc(O)c3C(=O)c2c1,mutagenic +NC(=S)c1c(Cl)cccc1Cl,mutagenic +CN(C(=O)C)c1snc2ccccc12,non-mutagenic +C(=N\c1snc2ccccc12)/c3ccccc3,non-mutagenic +C(Oc1cccc2cnsc12)C3CO3,mutagenic +OCNC(=O)NCO,mutagenic +Cc1ccc(cc1)N(N=O)C2OCC(O)C(O)C2O,mutagenic +CN(c1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],mutagenic +CCNCC,non-mutagenic +O=C[C@H]1CO1,mutagenic +COc1cc(NC(=O)C)ccc1NC(=O)C,non-mutagenic +CC(C)(c1ccc(OC[C@H]2CO2)cc1)c3ccc(OC[C@H]4CO4)cc3,mutagenic +[O-][N+](=O)c1ccc2c(c1)c3cc4ccccc4c5cccc2c35,mutagenic +CN(C)[C@@H]1[C@@H]2[C@H](O)[C@H]3C(=C(O)[C@@]2(O)C(=C(C(=O)N)C1=O)O)C(=O)c4c(O)cccc4[C@]3(C)O,non-mutagenic +CC1(CO1)C2CO2,mutagenic +Cc1ccc(CCl)cc1,non-mutagenic +COC1=CC(=O)C=C/C/1=N\c2c3ccccc3nc4ccccc24,non-mutagenic +CC1CC2(OC2C)C(=O)OC3CCN(C)CC=C(COC(=O)C1(C)O)C3=O,mutagenic +CC(C)(OOC(C)(C)c1ccccc1)c2ccccc2,non-mutagenic +OC[C@H](Br)CBr,mutagenic +Nc1ccc(c(O)c1)[N+](=O)[O-],mutagenic +ClCc1ccc2cccc3c4ccccc4c1c23,mutagenic +Nc1c(N=Nc2ccc(cc2)c3ccc(cc3)N=Nc4ccc(O)cc4)c(cc5cc(c(N=Nc6ccccc6)c(O)c15)S(=O)(=O)O)S(=O)(=O)O,mutagenic +Nc1ccc2nc3ccccc3nc2c1,mutagenic +O[C@H](C(=O)c1ccccc1)c2ccccc2,non-mutagenic +OCCOC(=O)C=C,non-mutagenic +CC(=O)CCC(=O)C,non-mutagenic +Cc1cccc2c(cccc12)[N+](=O)[O-],mutagenic +C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(=O)O[C@@H]6O[C@H](CO[C@@H]7O[C@H](CO)[C@@H](O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O)[C@H]8O)[C@H](O)[C@H]7O)[C@@H](O)[C@H](O)[C@H]6O,non-mutagenic +O=NN(Cc1ccccc1)Cc2ccccc2,non-mutagenic +COc1ccc(NOS(=O)(=O)O)cc1N,mutagenic +C1CN(CCO1)Sc2nc3ccccc3s2,non-mutagenic +CC[C@@]1(CC(=O)O)OCCc2c1n(C)c3ccccc23,non-mutagenic +CC(C)(S)C(N)C(=O)O,mutagenic +CC(C)NC[C@@H](O)COc1cccc2C[C@@H](COc12)O[N+](=O)[O-],non-mutagenic +O=C1CCCCC1,non-mutagenic +ClCCNC(=O)N(CCCl)N=O,mutagenic +C1Cc2scnc2c3cccnc13,non-mutagenic +COC(=O)\C(=C(/OP(=O)(OC)OC)\c1ccc(Cl)cc1Cl)\Br,non-mutagenic +O=C(Nc1ccc2c(Cc3ccccc23)c1)c4ccccc4,mutagenic +CC(Cl)c1ccccc1,non-mutagenic +CN(C)CCNC(=O)c1cccc2Oc3ccccc3Nc12,mutagenic +C1Cc2ccccc2CN1,non-mutagenic +CCCCc1cc(C)cc(CCCC)c1O,non-mutagenic +C1CCC2C(C1)CCc3ccccc23,non-mutagenic +CC(C)CC1NC(=O)C(C)N(C)C(=O)CNC(=O)\C(=C/c2ccccc2)\N(C)C1=O,non-mutagenic +COC(=O)C(CSCC(C)Br)NC(=O)C,mutagenic +Cc1cc(ccc1N=Nc2cccnc2)N(CCO)CCO,non-mutagenic +CN(C)CCNC(=O)c1cccc2c(N)c3ccccc3nc12,mutagenic +Cc1ccc(NO)cc1[N+](=O)[O-],non-mutagenic +COc1cc(C=C)ccc1O,non-mutagenic +CCc1cccc2cc(oc12)[C@H](O)CNC(C)(C)C,non-mutagenic +CCCCC(CC)COC(=O)c1ccc(cc1)N(C)N=O,non-mutagenic +COP(=O)(O)OC,non-mutagenic +CC(=O)c1ccccc1[N+](=O)[O-],non-mutagenic +Cc1ccc2nc(sc2c1)c3ccc(N)cc3,mutagenic +Cc1cccc(c1C(O)O)[N+](=O)[O-],mutagenic +CN1C(=O)CN=C(c2ccccc2)c3cc(Cl)ccc13,non-mutagenic +Oc1[nH]nc2ccccc12,non-mutagenic +CN1CCNCC1,non-mutagenic +O=C1c2ccc3c4nc5ccccc5n4C(=O)c6ccc(c7nc8ccccc8n17)c2c36,mutagenic +c1ccc2c(c1)ccc3c4ccncc4ccc23,mutagenic +[O-][N+](=O)c1cc(c(Nc2c(cc(cc2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])c(c1)[N+](=O)[O-])[N+](=O)[O-],mutagenic +Cc1ccc2ccccc2c1,non-mutagenic +[O-][N+](=O)c1ccc2c(CCc3ccccc23)c1,mutagenic +CCCCCCCCCCCCCC(=O)ON(C(=O)C)c1ccc2c(Cc3ccccc23)c1,mutagenic +CCCCOC(=O)c1ccccc1C(=O)OCc2ccccc2,non-mutagenic +OCN=N,mutagenic +CN(C)C,non-mutagenic +NC1CCCCC1,non-mutagenic +CCc1ccc(cc1)C(C(Cl)Cl)c2ccc(CC)cc2,mutagenic +CCN(CC)C(=S)SSCC(NC(=O)C)C(=O)O,non-mutagenic +COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC,non-mutagenic +O=C(Nc1cccc2C(=O)c3c(ccc4c5cc(NC(=O)c6ccccc6)c7C(=O)c8ccccc8C(=O)c7c5[nH]c34)C(=O)c12)c9ccccc9,non-mutagenic +C(CC1CO1)C2CO2,mutagenic +CCCCCN(CCCCO)N=O,mutagenic +CC(=O)Nc1ccc(cc1)[N+](=O)[O-],non-mutagenic +Clc1ccc2cc3ccccc3cc2c1,mutagenic +CCCC[CH-][N+](=O)[O-],non-mutagenic +Cc1cc2c3ccccc3[nH]c2nc1N,mutagenic +COc1ccc(CN(CCN(C)C)c2ncccn2)cc1,non-mutagenic +CC(Br)C(=O)N,mutagenic +Nc1cc2ccc3cccc4ccc(c1)c2c34,mutagenic +NC(=N)N,non-mutagenic +OC1C=Cc2c(cc3ccc4ccc(c5ccc2c3c45)[N+](=O)[O-])C1O,mutagenic +NC(=O)CI,non-mutagenic +Cc1c(N)cc(N)cc1[N+](=O)[O-],mutagenic +CC(C)CNC(=O)\C=C\c1oc(cc1)[N+](=O)[O-],mutagenic +CCCn1cc2CC3C(CC(C)CN3C#N)c4cccc1c24,mutagenic +Cc1cccc(c1)N=O,non-mutagenic +COC(=O)Nc1nc2cc(ccc2[nH]1)C(=O)c3ccccc3,mutagenic +CC1(C)C[C@H]2C=C(CO)[C@]3(C[C@@]3(C)[C@@H]2C1)C=O,mutagenic +OC(=O)c1occ(c2ccccc2)c1c3ccccc3,non-mutagenic +O=C(Nc1snc2ccccc12)c3ccccc3,mutagenic +[O-][N+](=O)c1ccc(Oc2ccccc2)cc1,mutagenic +CC(Oc1cc(Cl)c(Cl)cc1Cl)C(=O)O,non-mutagenic +Cc1cc(C)nc(SC(=O)OC(C)(C)C)n1,non-mutagenic +Fc1ccc(F)c2c1ccc3cccnc23,mutagenic +CCOC(=O)CBr,mutagenic +Cc1ccc(O)cc1,non-mutagenic +COc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],mutagenic +Cc1cccc2ccc3cc4ccccc4cc3c12,mutagenic +Nc1ncnc2c1ncn2c3ccc(cc3[N+](=O)[O-])[N+](=O)[O-],mutagenic +Cc1c2ccccc2c([C@@H]3CO3)c4ccccc14,mutagenic +CN(C)c1ccc(N)cc1,mutagenic +N1[C@@H]([C@H]1c2ccccc2)c3ccccc3,mutagenic +COc1ccc(c2c(NCCCN(C)C)c3ccccc3nc12)[N+](=O)[O-],mutagenic +Nc1ccc2[nH]c3ccccc3c2c1[N+](=O)[O-],mutagenic +CCCCN(CCO)N=O,mutagenic +O=CC=O,mutagenic +O=C1C=Cc2c(ccc3cc4ccccc4cc23)C1=O,non-mutagenic +OC(=O)C(=O)O,non-mutagenic +CC[C@@H](C)Nc1ccc(N[C@H](C)CC)cc1,non-mutagenic +Cc1cc2C(=O)CCc2c3ccc4ccccc4c13,mutagenic +O=CCCCC=O,mutagenic +C[C@@H]1O[C@H](C[C@H](N)[C@H]1O)O[C@H]2C[C@@](O)(Cc3c(O)c4C(=O)c5ccccc5C(=O)c4c(O)c23)C(=O)CO,mutagenic +Cn1c(COC(=O)N)ncc1[N+](=O)[O-],mutagenic +CC1C(O)CCC2=CC(=O)C3(OC3C12C)C4(CO)CO4,mutagenic +CN(CCCl)CCCl,mutagenic +O=C1C=CC(=O)c2ccccc12,mutagenic +OC(=O)Cc1cccc2ccccc12,non-mutagenic +CC12CCC(=O)C=C1C3CC3C4C2CCC5(C)C4C6CC6C57CCC(=O)O7,non-mutagenic +CNc1ccc2ncc(C)nc2c1N,non-mutagenic +CN(C)C(=S)SSC(=S)N(C)C,mutagenic +OCc1ccccc1,non-mutagenic +Oc1c2ccccc2nc3ccc4OCCOc4c13,mutagenic +CC(C)(CO)C(O)C(=O)NCCCO,non-mutagenic +CC(C)(C)CBr,non-mutagenic +CCCCN(N=O)[C@@H](CCC)OC(=O)C,mutagenic +OC1C(O)c2cccnc2C3OC13,non-mutagenic +C(C1CO1)c2cccc3ccccc23,mutagenic +CC(=O)Nc1cnc2ccccc2c1,non-mutagenic +CCC(=O)N1N=CC(=C(Cl)C1=O)Cl,non-mutagenic +Clc1nncc2ccccc12,non-mutagenic +Cc1ccc(N)c(c1)[N+](=O)[O-],mutagenic +CCN(CC)c1ccc(N)cc1,mutagenic +CC1CCCC1,non-mutagenic +Cc1cc(O)c2C(=O)C=C(C(=O)c2c1)c3c(C)cc4C(=O)C=CC(=O)c4c3O,non-mutagenic +O[C@H]1C=Cc2cc3ccc4c(ccc5ccc(c2[C@@H]1O)c3c45)[N+](=O)[O-],mutagenic +c1ccc2c3c(ccc2c1)c4cccc5cccc3c45,mutagenic +CC\C=C\C=C\C=C\C=C\C=C\SCC(O)CO,non-mutagenic +COc1ccc(cc1OC)c2nc(c3ccccc3)c([nH]2)c4ccccc4,mutagenic +CC(O)C(O)C(O)C(O)C1SCCN1N=O,non-mutagenic +CCCCOCCOC(=O)COc1ccc(Cl)cc1Cl,non-mutagenic +CC(=CC1C(C(=O)O)C1(C)C)C,non-mutagenic +Oc1c(Cl)c(Cl)cc(Cl)c1Cl,non-mutagenic +COP(=O)(NC(=O)C)SC,non-mutagenic +c1cnc2c(c1)ccc3ncccc23,mutagenic +COC(=O)COc1ccc(Cl)cc1Cl,non-mutagenic +Oc1cccc2cc3cccc(O)c3c(O)c12,non-mutagenic +OC(=O)c1cccnc1Nc2cccc(c2)C(F)(F)F,non-mutagenic +O=NN1CCNCC1,mutagenic +BrCc1ccc2c3ccccc3c4cccc1c24,mutagenic +CC(Cl)Cl,non-mutagenic +[O-][N+](=O)c1oc(\C=N\N2CCCNC2=O)cc1,mutagenic +COc1ccccc1\C=C/C=O,mutagenic +CCNc1snc2ccccc12,non-mutagenic +Cc1c2ccccc2c(C)c3c4C=CC(=O)C(=O)c4ccc13,non-mutagenic +CC(C)NCC(O)c1ccc(NS(=O)(=O)C)cc1,non-mutagenic +CCOC(=O)Cc1c(C(=O)O)c2ccccc2n1C,non-mutagenic +COc1ccc(cc1)[C@H](OC(=O)C)C=C,mutagenic +C\C=C\C1=CC2=C(C(=O)O1)C(=O)C(O)C(C)O2,non-mutagenic +CC(=O)C(=O)C,mutagenic +CC(=O)Nc1cc2Cc3ccccc3c2cc1Cl,mutagenic +OC(=O)\C=C/C(=O)O,non-mutagenic +CC1C(C)(C)C2=C(C(=O)CCC2)C1(C)C,non-mutagenic +ClCCCBr,mutagenic +CN1N(C(=O)C=C1C)c2ccccc2,non-mutagenic +CC1(O)C=Cc2cc3c(ccc4ccccc34)c5CCC1(O)c25,mutagenic +Cc1cc(C)cc(O)c1,non-mutagenic +CS(=O)(=O)N1N=CC(=C(Cl)C1=O)Cl,mutagenic +C1CCC(CC1)NSc2nc3ccccc3s2,non-mutagenic +OCC1NC(Cc2c1[nH]c3ccccc23)C(=O)O,non-mutagenic +COC(=O)C1=C(C)C(C)(O)OC1=O,non-mutagenic +Nc1nc(\C=C/c2oc(cc2)[N+](=O)[O-])cs1,mutagenic +CN(C)CCNC(=O)c1cccc2cc3ccccc3nc12,mutagenic +Clc1cc(Cl)cc(Cl)c1,non-mutagenic +CCOP(=S)(OCC)SCCl,non-mutagenic +Oc1cnc2ccccc2c1,non-mutagenic +CCCCCO,non-mutagenic +Cc1c2ccc3C(O)C(O)C=Cc3c2nc4ccc(CO)cc14,mutagenic +Oc1ccc2[nH]ccc2c1,non-mutagenic +CCC1=C(OC)C(=O)c2c(O)c(OC)c(OC)c(O)c2C1=O,non-mutagenic +CC(=O)NS(=O)(=O)c1ccc(N)cc1,non-mutagenic +CC(C)(C)N(CC(O)c1ccc(O)c(CO)c1)Cc2ccccc2,mutagenic +O\N=C\C(=O)Nc1ccccc1,non-mutagenic +CC(Br)C(=O)NCc1ccccc1,mutagenic +c1cc2cccc3c4cccc5cccc(c(c1)c23)c45,mutagenic +Oc1c2ccccc2nc3ccccc13,non-mutagenic +CC(=O)Nc1ccc(C)c(c1)N=Nc2cc(NC(=O)C)ccc2C,non-mutagenic +Cc1cc2C(=O)[C@@H](O)Cc2c3ccc4ccccc4c13,mutagenic +Nc1ccc(O)c(c1)[N+](=O)[O-],mutagenic +CC#N,non-mutagenic +O=C1C=Cc2ccc3C=CC(=O)c4ccc1c2c34,mutagenic +Oc1ccc(c2cccnc12)S(=O)(=O)O,mutagenic +CCC(C)C(C(CC(=O)N1CCCC1C(OC)C(C)C(=O)NC(Cc2ccccc2)c3nccs3)OC)N(C)C(=O)C(NC(=O)C(C(C)C)N(C)C)C(C)C,non-mutagenic +Clc1ccc(N2C(=O)CCC2=O)c(Cl)c1Cl,non-mutagenic +Clc1ccc2c(c1)C(=NCc3nncn23)c4ccccc4,non-mutagenic +NC(CCC(=O)NC(CS\C(=C\Cl)\Cl)C(=O)NCC(=O)O)C(=O)O,mutagenic +CC(C)CCCCCOC(=O)Cc1ccc(Cl)cc1Cl,non-mutagenic +C(C1CO1)c2ccccc2,mutagenic +N[C@@H](CS\C(=C\Cl)\Cl)C(=O)O,mutagenic +C=CCOC(=O)c1ccccc1C(=O)OCC=C,non-mutagenic +CCC(=O)Nc1ccc(Cl)c(Cl)c1,non-mutagenic +Cc1cccc2ccc3c4ccccc4ccc3c12,mutagenic +CC(=O)Nc1nc(\C=C/c2oc(cc2)[N+](=O)[O-])cs1,mutagenic +NC(=O)Cc1cccc2ccccc12,mutagenic +Nc1ncnc2c1ncn2c3ccc(cc3)[N+](=O)[O-],mutagenic +Cc1cc2c(nc(N)n2C)c3nccnc13,mutagenic +CN(C)C(=O)Nc1ccc(C)c(Cl)c1,non-mutagenic +O[C@H]1C=Cc2cc3c(cc2[C@@H]1O)c4cccc5cccc3c45,mutagenic +C[Si](C)(CCl)C=C,non-mutagenic +O1[C@@H]2[C@H]1c3cccc4ccc5cc6ccccc6c2c5c34,mutagenic +Cc1cccc(NO)c1,mutagenic +CCNc1nc(Cl)nc(NCC)n1,non-mutagenic +C1CC2CCc3ccccc3C24OC4C1,non-mutagenic +CNC(=O)Oc1ccccc1,non-mutagenic +Oc1ccc(cc1)C2(OC(=O)c3ccccc23)c4ccc(O)cc4,non-mutagenic +Fc1c(F)c(Cl)c(F)c(Cl)c1F,non-mutagenic +Nc1ccc(C=C)cc1,mutagenic +CO[C@H]1[C@@H](C[C@H]2CN3CCc4c([nH]c5cc(OC)ccc45)[C@H]3C[C@@H]2[C@@H]1C(=O)OC)OC(=O)c6cc(OC)c(OC)c(OC)c6,non-mutagenic +OC(C(F)(F)F)C(F)(F)F,non-mutagenic +[O-][N+](=O)c1ccc(Nc2ncnc3c2ncn3c4ccc(cc4)[N+](=O)[O-])cc1,mutagenic +CC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-],non-mutagenic +Cc1cccc(C)c1N=Nc2c(O)ccc3ccccc23,non-mutagenic +C\C=C\C1OC(=O)C=CC1O,non-mutagenic +OC(=O)c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],mutagenic +C1CSCSC1,mutagenic +CN(C)c1ccc(cc1)C2(OC(=O)c3cc(ccc23)N(C)C)c4ccc(cc4)N(C)C,non-mutagenic +Oc1c2ccoc2nc3ccccc13,non-mutagenic +CN(C)CCNC(=O)c1cccc2ccc(nc12)c3ccccc3,mutagenic +Nc1ccc2c3ccccc3[nH]c2c1[N+](=O)[O-],mutagenic +C(CSc1ccccc1)Sc2ccccc2,non-mutagenic +Cc1onc(NS(=O)(=O)c2ccc(N)cc2)c1,non-mutagenic +Oc1c(N=Nc2ccc(cc2)S(=O)(=O)O)c3ccc(cc3cc1S(=O)(=O)O)S(=O)(=O)O,mutagenic +[O-][N+](=O)c1ccc2[nH]ncc2c1,mutagenic +ClC(=O)OCC1c2ccccc2c3ccccc13,mutagenic +Cc1cc2ccccc2c3ccc4C(O)C(O)C5OC5c4c13,mutagenic +CN(CCCC(O)c1cccnc1)N=O,mutagenic +Brc1c(Br)c(Br)c2C(=O)N(CCN3C(=O)c4c(Br)c(Br)c(Br)c(Br)c4C3=O)C(=O)c2c1Br,non-mutagenic +CC12CCCC(C)(C1CCC34CC(=C)C(CCC23)(C4)OC5OC(CO)C(O)C(O)C5O)C(=O)O,mutagenic +C[C@H]1CN(CCN1N=O)N=O,mutagenic +c1ccncc1,non-mutagenic +ClCCBr,mutagenic +c1cc2ccc3ccc4ccc5ccc6ccc1c7c6c5c4c3c27,mutagenic +[O-][N+](=O)c1cc(cc(c1)[N+](=O)[O-])C(=O)Cl,mutagenic +[O-][N+](=O)c1ccccc1CC#N,mutagenic +CC(C)(C)NCC(O)c1ccc(O)c(NC(=O)N)c1,non-mutagenic +CC(CCO)CCC=C(C)C,non-mutagenic +OCc1c(O)cc2C(=O)c3ccccc3C(=O)c2c1O,mutagenic +CCOC(=O)C,non-mutagenic +CC(C)CN(N=O)C(=N)N[N+](=O)[O-],mutagenic +OC(=O)Cc1c[nH]c2ccccc12,non-mutagenic +ClC1=CC(=O)C=CC1=O,non-mutagenic +[O-][N+](=O)c1ccc(CCl)cc1,mutagenic +CCC#N,non-mutagenic +CC(=O)Nc1nc2C3=CCCN(CC=C)C3CCc2s1,non-mutagenic +O1C=CC2OC2C=C1,non-mutagenic +Cn1c(N)nc2c3ncccc3ccc12,mutagenic +CO[C@H]1[C@@H](C[C@H]2CN3CCc4c([nH]c5cc(OC)ccc45)[C@H]3C[C@@H]2[C@@H]1C(=O)OC)OC(=O)\C=C\c6cc(OC)c(OC)c(OC)c6,non-mutagenic +CC(C)NC(=O)NS(=O)(=O)c1cnccc1Nc2cccc(C)c2,non-mutagenic +O1OC2c3ccccc3C1c4ccccc24,non-mutagenic +ClCc1cc2cc3ccccc3c4ccc5cccc1c5c24,mutagenic +CCC\C=N/O,mutagenic +COC(=O)c1cc(ccc1N)c2ccc(N)c(c2)C(=O)OC,mutagenic +CSC(C)(C)\C=N/O,non-mutagenic +ClCC(=C)Br,mutagenic +C1=Cc2cc3c4ccccc4ccc3c5cccc1c25,mutagenic +BrC[C@@H](Br)[C@@H]1CC[C@@H](Br)[C@@H](Br)C1,non-mutagenic +c1ccc2scnc2c1,non-mutagenic +COCCOC(=O)c1ccccc1C(=O)OCCOC,mutagenic +COC1OC1(C)C,mutagenic +OCC1OC(O)C(O)C(Op2(OC3C(O)C(O)OC(CO)C3O)np(OC4C(O)C(O)OC(CO)C4O)(OC5C(O)C(O)OC(CO)C5O)np(OC6C(O)C(O)OC(CO)C6O)(OC7C(O)C(O)OC(CO)C7O)n2)C1O,non-mutagenic +CC(=O)NC(CS\C(=C(/F)\C(F)(F)F)\F)C(=O)O,non-mutagenic +CC(C)OC1OC(=O)C(=C1Cl)Cl,mutagenic +COC(=O)\C=C\c1oc(cc1)[N+](=O)[O-],mutagenic +CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCCC(C)O,non-mutagenic +[O-][N+](=Nc1ccc(Cl)c(Cl)c1)c2ccc(Cl)c(Cl)c2,non-mutagenic +O[C@@H]1CO[C@@](O)(CN(CC(=O)O)N=O)[C@H](O)[C@@H]1O,non-mutagenic +Cc1noc(NS(=O)(=O)c2ccc(N)cc2)c1C,non-mutagenic +[O-][N+](=O)c1cccc(CBr)c1,non-mutagenic +C1O[C@@H]1c2ccc3ccccc3c2,mutagenic +OCC1OC(C(O)C1O)n2cnc3c(NCc4ccc(cc4)[N+](=O)[O-])ncnc23,mutagenic +CCCCCCCCCCSCn1cc[n+](C)c1,mutagenic +Cc1nc(cc2c3cc(cc(c3[nH]c12)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],mutagenic +Nc1ccc2C(=O)c3cc(N)ccc3C(=O)c2c1,mutagenic +Cn1c(N)nc2c3ccc(O)nc3ccc12,mutagenic +COP(=S)(OC)Oc1nc(Cl)c(Cl)cc1Cl,non-mutagenic +CC(C)(C)Br,mutagenic +CN(C)CCNC(=O)c1cccc2[nH]c(nc12)c3ccccc3,mutagenic +CC(=O)C1(C)OC12C=Cc3ccccc3C2=O,non-mutagenic +COc1ccc(\C=C\C(=O)c2ccccc2)cc1,non-mutagenic +CC(CCC(=O)O)C1CCC2C3CCc4cc(O)ccc4C3CCC12C,non-mutagenic +CN(C)CCCN,non-mutagenic +CC(=O)OCc1c2ccccc2c(C)c3ccccc13,mutagenic +OC1C(Oc2ccc3ccc4cc5ccccc5c6ccc2c3c46)OC(C(O)C1O)C(=O)O,non-mutagenic +CCN(CC)c1ccc2C=C(C(=O)Oc2c1)c3nc4ccccc4n3C,non-mutagenic +COc1cc(cc(OC)c1OC)C(=O)OCCCN2CCCN(CCCOC(=O)c3cc(OC)c(OC)c(OC)c3)CC2,non-mutagenic +CC(C)(C)OC(=O)OC(=O)OC(C)(C)C,non-mutagenic +[O-][N+](=O)c1oc(cc1)c2csc(NC=O)n2,mutagenic +COc1cc(O)c2C(=O)Oc3cc(O)cc(C)c3c2c1,non-mutagenic +CC(=O)C1C(=O)C=C2Oc3c(C(=O)C)c(O)c(C)c(O)c3C2(C)C1=O,non-mutagenic +CCOC(=O)c1cccc2cccnc12,non-mutagenic +CCN(CC)c1ccc(cc1)N=O,mutagenic +OC(=O)c1oc(c(c2ccccc2)c1c3ccccc3)[N+](=O)[O-],mutagenic +[O-][N+](=O)c1ccccc1[N+](=O)[O-],mutagenic +CCCC[C@@H](CC)COC(=O)CCCCC(=O)O,non-mutagenic +C=CN1CCCC1=O,non-mutagenic +CC1=C(O)C(=O)C=CO1,mutagenic +Nc1ccc2ccccc2n1,mutagenic +C=CCc1ccc2OCOc2c1,non-mutagenic +C1COCCO1,non-mutagenic +Cc1c2ccccc2c(COS(=O)(=O)O)c3ccc4ccccc4c13,mutagenic +CC(Oc1ccc(Cl)cc1Cl)C(=O)O,non-mutagenic +CC(=O)OCN(CCCl)N=O,mutagenic +COC(=O)CC1Cc2cc3cc(OC)c(c(O)c3c(O)c2C(=O)O1)c4c(O)c5c(O)c6C(=O)OC(CC(=O)OC)Cc6cc5cc4OC,non-mutagenic +Cc1ccc2nc3c(ccc4ccccc34)cc2c1,mutagenic +Nc1ccc(cc1Cl)c2ccc(N)c(Cl)c2,mutagenic +CCCC1(O)CCC2C3CCC4CC(=O)CC(C)C4(C)C3CCC12C,non-mutagenic +CCOS(=O)(=O)c1ccc(C)cc1,mutagenic +CC(=O)OC(=O)C,non-mutagenic +Nc1c2ccccc2nc3ccc(O)cc13,mutagenic +CCC1=CN(C2CC(O)C(CO)O2)C(=O)NC1=O,non-mutagenic +O=C(\C=C\c1ccccc1)c2ccc(cc2)c3ccccc3,non-mutagenic +COc1cc2c3CCC(=O)c3cc(C)c2c4ccccc14,mutagenic +Oc1ccc2OCOc2c1,non-mutagenic +c1ccc2ncccc2c1,mutagenic +NC(=O)c1cc(N2CC2)c(cc1[N+](=O)[O-])[N+](=O)[O-],mutagenic +CC(=C)C(=O)OC[C@H](Br)CBr,mutagenic +CC\C=C\[C@@H](CC)C=O,non-mutagenic +ClCc1c2ccccc2c3ccc4cccc5ccc1c3c45,non-mutagenic +C1CCC(CC1)NC2CCCCC2,non-mutagenic +CC(=O)Nc1cc(O)c2ccc3cccc4ccc1c2c34,mutagenic +NNc1ccc(cc1)C(=O)O,non-mutagenic +CCOP(=O)(OCC)N1C2C1c3ccccc3c4ccccc24,mutagenic +CSc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],mutagenic +CC(C)NCC(O)COc1ccc(CC(=O)N)cc1,non-mutagenic +Cc1cccc(c1)C#N,non-mutagenic +CCCCC\C=C\C\C=C\CCCCCCCC(=O)O,non-mutagenic +COC(=O)CCl,non-mutagenic +OC(=O)c1cccc(Cl)c1,non-mutagenic +Clc1ccc(Cl)cc1,non-mutagenic +OCc1cc2ccc3cccnc3c2[nH]1,non-mutagenic +CCN(CC)CCNc1ccc(COS(=O)(=O)C)c2Sc3ccccc3C(=O)c12,mutagenic +Oc1ccc2c3ccccc3[nH]c2c1[N+](=O)[O-],non-mutagenic +Clc1ccc(C=O)c(Cl)c1,non-mutagenic +Oc1ccc2c(c1)c3cc4ccccc4c5cc6ccccc6c2c35,mutagenic +ClC(=O)c1ccccc1Cl,mutagenic +CC(=O)OCN(CCCCl)N=O,mutagenic +COc1cc(O)c2C(=O)c3c(OC)cc4O[C@@H]5OC=C[C@H]5c4c3Oc2c1OC,mutagenic +COc1ccc2c(cc3N(C)C(=O)C(=O)c4cc5OCOc5c2c34)c1OC,mutagenic +CC(C)(C)c1ccc(OP(=O)(Oc2ccccc2)Oc3ccccc3)cc1,non-mutagenic +C[C@@H](Br)CBr,mutagenic +Nc1cc2nc3ccccc3nc2cc1O,mutagenic +Cc1cccc2cc3ccc4ccccc4c3cc12,mutagenic +OCC(CO)(CCBr)CCBr,mutagenic +OC(=O)C(Cl)(Cl)Cl,non-mutagenic +OS(=O)(=O)OCc1ccc2ccc3cccc4ccc1c2c34,mutagenic +[O-][N+](=O)c1ccccc1\C=C\C(=O)c2ccccc2,non-mutagenic +Nc1ccc2cc(c(N=Nc3ccc(cc3)c4ccc(cc4)N=Nc5c(O)c6c(N)cc(cc6cc5S(=O)(=O)O)S(=O)(=O)O)c(O)c2c1)S(=O)(=O)O,mutagenic +CCCCCCCCCC[C@H]1CO1,non-mutagenic +ClC1OC1CBr,mutagenic +Cc1ccc2ccccc2c1C,non-mutagenic +Cc1cc(ccc1N)c2ccc(N)c(C)c2,mutagenic +CCC1(C(=O)NC(=O)NC1=O)c2ccccc2,mutagenic +[O-][N+](=O)c1ccc2Cc3ccccc3c2c1,mutagenic +CC(C)(c1ccc(OCC(O)CCl)cc1)c2ccc(OCC(O)CCl)cc2,non-mutagenic +O=C1CCc2c1ccc3c2ccc4ccccc34,mutagenic +c1ccc(cc1)c2nc(c3ccccc3)c([nH]2)c4ccccc4,mutagenic +Cn1cnc(N=O)c1c2ccccc2,mutagenic +CC12CCCC(C)(C1CCC34CC(O)(CCC23)C(=C)C4O)C(=O)O,non-mutagenic +CC(=C)C1CCC(=CC1)C=O,non-mutagenic +Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl,non-mutagenic +CC\C=C\C=C\C=C\C=C\C=C\OCCCO,mutagenic +CC(C)Nc1snc2ccccc12,non-mutagenic +COc1ccc(CC2CO2)cc1,mutagenic +NNc1nncc2cccnc12,mutagenic +CCN(CC)c1cccc(O)c1,mutagenic +OCNC(=O)C=C,non-mutagenic +COc1cc2nc3cc(N)c(OC)cc3nc2cc1N,mutagenic +Cc1cccn2c1nc3c(C)c(cnc23)[N+](=O)[O-],mutagenic +Oc1c(cccc1[N+](=O)[O-])c2ccccc2,non-mutagenic +OCc1ccc(cc1)[N+](=O)[O-],non-mutagenic +Clc1cc(Cl)c(Oc2ccc(NC=O)cc2)c(Cl)c1,mutagenic +COC1=CC(=O)c2c([nH]cc3c4CCCCc4nc23)C1=O,mutagenic +CCCOC(=O)\C=C\c1oc(cc1)[N+](=O)[O-],mutagenic +CCCC(=C)C=O,mutagenic +CC(C)N,non-mutagenic +CCCCN(CCO[N+](=O)[O-])[N+](=O)[O-],mutagenic +C(Oc1ccc(cc1)c2ccccc2)C3CO3,mutagenic +Cc1cccc2sc(N)nc12,non-mutagenic +Cc1cccc(c1)c2oc3ccccc3n2,non-mutagenic +CCn1c(N)nc2c3nc(C)cnc3ccc12,mutagenic +O=C1N(C[C@H]2CO2)C(=O)N(C[C@H]3CO3)C(=O)N1C[C@H]4CO4,mutagenic +O=C1c2cccc3ccc4c5ccccc5cc1c4c23,mutagenic +COC(C1Cc2cc3cc(OC4CC(OC5CC(O)C(OC)C(C)O5)C(OC(=O)C)C(C)O4)c(C)c(O)c3c(O)c2C(=O)C1OC6CC(OC7CC(OC8CC(C)(O)C(OC(=O)C)C(C)O8)C(O)C(C)O7)C(O)C(C)O6)C(=O)C(O)C(C)O,non-mutagenic +CCn1c(N)nc2c3cccnc3ccc12,mutagenic +FC(F)OC(F)(F)C(F)Cl,non-mutagenic +Cl\C=C(/Cl)\c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl,non-mutagenic +COC(=O)Nc1nc2cc(OS(=O)(=O)c3ccc(F)cc3)ccc2[nH]1,non-mutagenic +COc1cc(N)cc(OC)c1N,non-mutagenic +ClCCCC(=O)\N=C\1/SN(C(=O)CCCCl)c2ccccc12,non-mutagenic +CC(C)(Cl)Cl,non-mutagenic +CCOC(=O)[C@@H](C)C[C@](C)(C[C@H](C[C@@](C)(C[C@@H](C[C@](C)(CC)C(=O)O)C(=O)OCC)C(=O)O)C(=O)OCC)C(=O)O,mutagenic +Clc1ccc(cc1Cl)C(Cl)(Cl)Cl,mutagenic +CC(C)(C)ON=O,mutagenic +Oc1ccc(cc1)N=O,mutagenic +CC1=NC(=C[C@H]2[C@@H]1Nc3ccccc23)N,mutagenic +C\C=C\1/CC(C)C(C)(O)C(=O)OCC2=CC[N+]3(C)CCC(OC1=O)C23O,mutagenic +CC(=CCC1=C(O)C(=O)c2ccccc2C1=O)C,non-mutagenic +OCc1cc(O)c2C(=O)c3c(O)cc(O)cc3C(=O)c2c1,mutagenic +Nc1ccc(Oc2c(Cl)cc(Cl)cc2Cl)cc1,mutagenic +Cc1cc2nc(C)c(C)nc2c3nc(N)n(C)c13,mutagenic +CC(=O)Nc1cc2Cc3ccccc3c2cc1OC(=O)c4ccccc4,non-mutagenic +CCNc1cc2OC(=O)C=C(C)c2cc1C,non-mutagenic +OC(=O)C1CSCN1N=O,non-mutagenic +CN(C)c1ccncc1,non-mutagenic +Oc1ccc(Nc2c3ccccc3nc4ccccc24)cc1,mutagenic +CN(C)C(=O)c1nc2CN=C(c3ccccc3Cl)c4cc(Cl)ccc4n2n1,non-mutagenic +OC(=O)CS,non-mutagenic +CCCCCCCC(=O)OCC(COC(=O)CCCCCCC)OC(=O)CCCCCCC,mutagenic +[O-][N+](=O)c1ccc2C(=O)OC(=O)c2c1,mutagenic +NC(=O)C[C@H]1CO1,mutagenic +COc1cc(CNC(=O)CCCCCCC(C)C)ccc1O,mutagenic +O[C@H](C#N)c1ccccc1,non-mutagenic +CC(=O)Nc1ccc2ccccc2n1,non-mutagenic +CC1=C(O)C(=O)CC1,non-mutagenic +CCCCCCCCCCCCCCCCCC(=O)NCCNC(=O)CCCCCCCCCCCCCCCCC,non-mutagenic +Nc1nc(Cl)cc(Cl)n1,non-mutagenic +[O-][N+](=O)c1cccc2c(Cl)nsc12,mutagenic +CCN(CC)C(=O)c1cc(Cc2ccc(N)c(c2)C(=O)N(CC)CC)ccc1N,non-mutagenic +CC(Cl)C(=O)NCc1ccccc1,non-mutagenic +CN1C(=O)C23CC4=CC=CC(O)C4N2C(=O)C1(CO)SS3,non-mutagenic +Cc1cc(ccc1N)C(=C2C=CC(N)C=C2)c3ccc(N)cc3,mutagenic +Nc1ccc(Cc2ccc(N)c(c2)C(=O)O)cc1C(=O)O,non-mutagenic +CC(=O)O[C@H](C=C)c1ccc2OCOc2c1,mutagenic +[O-][N+](=O)c1ccc2ccc3ccc(cc3c2c1)[N+](=O)[O-],mutagenic +CC(C)(C)NC(=O)C1CCC2C3CC=C4C=C(CCC4(C)C3CCC12C)C(=O)O,non-mutagenic +CCN1C=C(C(=O)O)C(=O)c2cc(F)c(c(F)c12)c3ccncc3,non-mutagenic +OCc1cc2c3ccccc3cc4ccc5cccc1c5c24,non-mutagenic +Oc1cc(Cl)ccc1Cl,non-mutagenic +[O-][N+](=O)c1ccc(cc1)c2nc3sccn3c2[N+](=O)[O-],mutagenic +CCCCCCCCCCCCCC(=O)O[C@@H]1[C@H](C)[C@]2(O)[C@@H](C=C(CO)C[C@]3(O)[C@H]2C=C(C)C3=O)[C@H]4C(C)(C)[C@@]14OC(=O)C,non-mutagenic +CCCCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O)C(CC(C)CC(O)CCCCCCC(O)C(C)N)OC(=O)CC(CC(=O)O)C(=O)O,non-mutagenic +CC1CCC2(OC1)OC3CC4C5CC=C6CC(CCC6(C)C5CCC4(C)C3C2C)OC7OC(CO)C(OC8OC(C)C(O)C(O)C8O)C(O)C7OC9OC(C)C(O)C(O)C9O,non-mutagenic +C1CC2OC2CCC3OC13,non-mutagenic +O=Cc1cccc2cccnc12,mutagenic +Nc1c(Br)cc(cc1[N+](=O)[O-])[N+](=O)[O-],mutagenic +OC1C(O)C(OC1COP(=O)(O)O)N2C=CC(=O)NC2=O,non-mutagenic +Oc1c(Cl)cc(Cl)cc1S(=O)(=O)c2cc(Cl)cc(Cl)c2O,non-mutagenic +CC1=CN(CC(O)CN=N#N)C(=O)NC1=O,mutagenic +Cc1ccc(N)cc1C,mutagenic +CC1CC2C(CCC3(C)C2CCC3(OC(=O)C)C(=O)C)C4(C)CCC(=O)C=C14,non-mutagenic +OC(=O)c1cc(O)c2ccccc2n1,non-mutagenic +OC(CN=N#N)C(O)C(O)C(O)C(=O)O,mutagenic +CCCCN=NC(C)(C)OO,mutagenic +[O-][n+]1c2ccccc2nc3ccccc13,mutagenic +[O-][N+](=O)c1cc(c2cccc3c4ccccc4c1c23)[N+](=O)[O-],mutagenic +CN1c2ccccc2C(=O)c3c(O)cc4O[C@H](Cc4c13)C(=C)C,mutagenic +COC1=C(N)C(=O)c2nc(ccc2C1=O)c3nc(C(=O)O)c(C)c(c3N)c4ccc(OC)c(OC)c4O,mutagenic +CC(C)[C@@](O)([C@@H](C)O)C(=O)O,non-mutagenic +OC(=O)C1=NN(C(=O)[C@H]1N=Nc2ccc(cc2)S(=O)(=O)O)c3ccc(cc3)S(=O)(=O)O,non-mutagenic +NC(=O)C12OC1C(O)(NC2=O)c3ccccc3,non-mutagenic +Oc1ccc2ccccc2c1N=Nc3ccc(cc3Cl)[N+](=O)[O-],mutagenic +CC(=O)Nc1ccc2ccc3ccc(O)c4ccc1c2c34,mutagenic +c1ccc(cc1)c2ccc(cc2)c3ccccc3,non-mutagenic +CCCC[C@@H](CC)COS(=O)(=O)O,non-mutagenic +o1cccc1,non-mutagenic +N1C2C1c3cc4ccccc4c5ccc6cccc2c6c35,mutagenic +NC(CCC(=O)NC(CSC(=O)NCCO)C(=O)NCC(=O)O)C(=O)O,non-mutagenic +CCOC(=O)N(CCCC(=O)c1cccnc1)N=O,mutagenic +CC(=O)Nc1cc2Cc3ccccc3c2cc1OC(=O)C,non-mutagenic +CCCn1cc2CC3C(C=C(C)CN3C)c4cccc1c24,mutagenic +Oc1cc(O)c2C(=O)c3c(O)ccc(O)c3Oc2c1,mutagenic +OC(=O)C(Br)Br,mutagenic +Cc1ccc(cc1S(=O)(=O)O)N=Nc2c(O)c(cc3ccccc23)C(=O)O,non-mutagenic +NCCN(CCCl)c1c2ccccc2nc3c1ccc4ccccc34,mutagenic +O=NN1CCCNC1=O,mutagenic +S=C(Nc1ccccc1)Nc2ccccc2,non-mutagenic +CCCC(=O)c1cc(O)c(O)cc1O,mutagenic +CN(C)CCNC(=O)c1cccc2C(=O)c3ccccc3Oc12,mutagenic +CC(C)CCCC(C)C1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(=O)C,non-mutagenic +CCCCCCCCCCCCCCCC(=O)OC\C=C(/C)\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C,non-mutagenic +Cc1c2ccccc2cc3ccc4C(=O)C(=O)C=Cc4c13,mutagenic +COc1ccc(cc1OC)c2nc(c3ccc(C)cc3)c([nH]2)c4ccc(C)cc4,mutagenic +C(OCc1cccc2ccccc12)C3CO3,mutagenic +OC(=O)CC[N+](=O)[O-],mutagenic +[O-][N+](=O)c1c2ccccc2c3ccc4cccc5ccc1c3c45,mutagenic +O=C1N(CC2CO2)Sc3ccccc13,non-mutagenic +O=CNc1ccc2c(Cc3ccccc23)c1,mutagenic +CN(C)c1ccc(cc1)C(=C2C=CC(=N)C=C2)c3ccc(cc3)N(C)C,non-mutagenic +Cc1cc(N)c(cc1N)[N+](=O)[O-],mutagenic +Nc1c(O)ccc2ccccc12,non-mutagenic +COc1cccc2c1ccc3c(cc4OCOc4c23)C(=O)O,mutagenic +CN(CCO)C(=O)Nc1ccc(Cl)c(Cl)c1,non-mutagenic +CCn1c(N)nc2c3cccnc3cc(C)c12,mutagenic +C[n+]1c2ccccc2cc3c(N)cccc13,mutagenic +C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](CC[C@]34C)OC(=O)\C=C\c5cccc(c5)N(CCCl)CCCl)[C@@H]1CCC(=O)N2,mutagenic +CN(C)CCNC(=O)c1ccc2ccc3cccnc3c2n1,mutagenic +OS(=O)(=O)c1cccc2cccnc12,non-mutagenic +c1ccc2c(c1)ccc3cc4ccc5ccncc5c4cc23,mutagenic +NCCCCC(N)C(=O)O,mutagenic +[O-][N+](=O)c1cc2CCc3cccc4CCc(c1)c2c34,mutagenic +COc1ccc(cc1)C(=O)C2OC2c3ccccc3,non-mutagenic +FC(Cl)C(F)(F)C(F)(F)Cl,non-mutagenic +COc1cc2OC3OC=CC3c2c4OC(=O)C5=C(C(O)CC5=O)c14,mutagenic +CC1C(OC(=O)C)C2OC2C3=CC(=O)C4(CC13C)OC4(C)C=O,mutagenic +Cc1ccc(cc1)c2nc([nH]c2c3ccc(C)cc3)c4ccc(C)cc4C,mutagenic +Oc1cc(c2ccc3cccc4ccc1c2c34)[N+](=O)[O-],mutagenic +CCCCN(C)N=O,mutagenic +COc1cc(C)cc2C(=O)C(=CC(=O)c12)c3c(C)cc4C(=O)C=CC(=O)c4c3OC,non-mutagenic +O=Cc1occc1,mutagenic +CCN(N=O)C(=N)N[N+](=O)[O-],mutagenic +Cl\C=C\c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl,non-mutagenic +Oc1cc(Cl)c(Cl)c(Cl)c1,non-mutagenic +CCCCOCN(C(=O)CCl)c1c(CC)cccc1CC,mutagenic +ON1CN(Cl)CN(Cl)C1,non-mutagenic +CCCC[C@@H](CC)C=O,non-mutagenic +COC(=O)C1=CCCN(C1)N=O,mutagenic +CN(CCO)C(=O)Nc1ccccc1,non-mutagenic +CCSCCSP(=S)(OC)OC,non-mutagenic +Cc1c2ccccc2cc3c4C=CC(=O)C(=O)c4ccc13,mutagenic +CC(C)NCC(O)COc1cccc2[nH]ccc12,non-mutagenic +OC1C=Cc2c(cc3ccc4cccc5ccc2c3c45)C1O,mutagenic +CC\C(=C(\c1ccccc1)/c2ccc(OCCN(C)C)cc2)\c3ccccc3,non-mutagenic +O=C1C=Cc2cccc3cccc1c23,mutagenic +CCCCCCN(N=O)C(=O)N,mutagenic +CCOC(=O)C(=C)C,non-mutagenic +CC1C(C)(C)Nc2ccccc2C1(C)C3C(C)(C)Nc4ccccc4C3(C)C,non-mutagenic +CC(=O)Nc1ccc(Oc2ccc(cc2)[N+](=O)[O-])cc1,mutagenic +CNC(=O)Oc1ccc2N(C)C3N(C)CCC3(C)c2c1,non-mutagenic +[O-][N+](=O)c1ccc(cc1)C#N,non-mutagenic +CC(C)Nc1ccccc1,non-mutagenic +Cc1nc2C(=O)C(=CC(=O)c2c3[nH]c4ccccc4c13)N5CC5,mutagenic +CC(=O)n1ccnc1,non-mutagenic +CC1(C)C[C@H](C[C@](C)(CN=C=O)C1)N=C=O,non-mutagenic +Cn1c(N)nc2c3ccncc3ccc12,mutagenic +CC(=CCC\C(=C/C=O)\C)C,non-mutagenic +COc1cc2c(CCN[C@]23CSC4[C@H]5[C@@H]6N(C)[C@@H](Cc7cc(C)c(OC)c(O)c67)[C@H](O)N5[C@@H](COC3=O)c8c9OCOc9c(C)c(OC(=O)C)c48)cc1O,mutagenic +O1C2C1c3cc4ccccc4cc3c5ccccc25,mutagenic +BrC(Br)C1=C(Br)C(=O)OC1,mutagenic +CC1(CO1)C(=O)N,mutagenic +N(c1ccccc1)c2ccccc2,non-mutagenic +OCc1c2ccccc2cc3c1ccc4ccccc34,mutagenic +Cc1ccc(cc1N=[N+]([O-])c2cc(ccc2C)[N+](=O)[O-])[N+](=O)[O-],non-mutagenic +C[C@@H]1CNC(=O)N1c2ncc(s2)[N+](=O)[O-],mutagenic +CCCC[C@@H](CC)COP(=O)(OC[C@H](CC)CCCC)OC[C@H](CC)CCCC,non-mutagenic +ONc1ccc(cc1)N=O,mutagenic +Clc1ccc(Oc2ccc(NC=O)cc2)cc1,mutagenic +OC1OC(=O)C(=C1CCl)Cl,mutagenic +Oc1c(Cl)cc(Cl)c(Cl)c1[N+](=O)[O-],non-mutagenic +Oc1ccc2ccccc2c1[N+](=O)[O-],mutagenic +CCOP(=S)(OCC)Oc1ccc(cc1)[N+](=O)[O-],non-mutagenic +Nc1[nH]ccc2nc3ccccc3c12,mutagenic +CN(CCCC(=O)c1cccnc1)N=O,mutagenic +CCOC(=O)C(Cl)C(=O)C,non-mutagenic +CC1=CC(=O)Oc2ccc3OC4(C)OOC4(C)c3c12,mutagenic +C1CCC(CC1)N=C=NC2CCCCC2,non-mutagenic +CC1CCC2CC1C2(C)C,non-mutagenic +[O-][N+](=O)c1cccc2c1ncc3cnc4ccccc4c23,mutagenic +CCOc1ccc2NC(C)(C)C=C(C)c2c1,non-mutagenic +C[n+]1ccsc1N=Nc2c(c3ccccc3)n(C)c4ccccc24,mutagenic +CCCCC1C(=O)N(N(C1=O)c2ccccc2)c3ccccc3,non-mutagenic +Nc1ccc(cc1Br)c2ccc(N)c(Br)c2,mutagenic +CC(C)Cc1ccc(cc1)C(C)C(=O)O,non-mutagenic +CCc1c2ccccc2c(C)c3ccc4ccccc4c13,non-mutagenic +[O-][N+](=O)c1ccc(Oc2ccc(Cl)cc2Cl)cc1,mutagenic +CNCC(O)c1ccc(O)c(O)c1,non-mutagenic +Cc1cnccn1,non-mutagenic +C1O[C@@H]1c2c3ccccc3cc4ccccc24,mutagenic +c1ccc2c(c1)ccc3cccnc23,mutagenic +N(c1ccccc1)c2ccc3ccccc3c2,non-mutagenic +Cc1ccc(cc1)N=Nc2ccc(cc2)N(CCO)CCO,non-mutagenic +CNC(=O)N(O)C(=O)C,mutagenic +CC12CCC3C(CCc4cc(O)ccc34)C1CC(O)C2O,non-mutagenic +CCC(C)(C)OC,non-mutagenic +CC\C=C\C=O,mutagenic +Cc1ccc(CO)cc1,non-mutagenic +CCCCON(OC(=O)C)C(=O)c1ccc(Cl)cc1,mutagenic +CCCCC(CC)COC(=O)c1ccc(cc1)C(=O)O,non-mutagenic +CO[C@@H]1C[C@](C)(O)Cc2cc3C(=O)c4c5O[C@@H]6O[C@@](C)([C@H](O)[C@H]([C@H]6O)N(C)C)c5cc(O)c4C(=O)c3c(O)c12,mutagenic +CCOc1cc(C=O)ccc1O,non-mutagenic +CNc1ccc(cc1)C(=C2C=CC(=NC)C=C2)c3ccc(cc3)N(C)C,non-mutagenic +CN(C)CCNC(=O)c1cccc2c(O)c3ccccc3nc12,mutagenic +O=NN1CC(=O)NC1=O,mutagenic +Cc1cn2c(c(nc2s1)c3ccc(cc3)[N+](=O)[O-])[N+](=O)[O-],mutagenic +OC(=O)CCCCC(=O)O,non-mutagenic +C=CCN=C=S,mutagenic +COc1cc(cc(OC)c1OC)C2C3C(COC3=O)C(O)c4cc5OCOc5cc24,non-mutagenic +COC(=O)CCC(=O)OC,non-mutagenic +COc1ccc(cc1)C(=O)\C=C\c2ccccc2,non-mutagenic +Cc1nnc2CN=C(c3ccccc3Cl)c4cc(Cl)ccc4n12,non-mutagenic +CN=NC(C)(C)OO,mutagenic +CC(=O)CC(=O)Nc1ccccc1C,non-mutagenic +CCOC(=O)C1=C(C)N=C(C)C(=C(O)OCC2COC3(CCCC3)O2)C1c4cccc(Cl)c4,non-mutagenic +CC1C2C(=Nc3ccc(C)cc23)N(C)c4ccc(C)cc14,mutagenic +CC\C=C\C=C\C=C\C=C\C=C\OCC(O)c1ccccc1,mutagenic +CCCCOC(=O)CC(CC(=O)OCCCC)(OC(=O)C)C(=O)OCCCC,non-mutagenic +CC(C)c1cc(cc(C(C)C)c1N)c2ccccc2,non-mutagenic +O=S1(=O)c2cccc3ccc4c5ccccc5cc1c4c23,mutagenic +O=Cc1ccc(cc1)C(=O)ON(OCc2ccccc2)C(=O)c3ccccc3,mutagenic +CC1(C)CC2=C(C=O)C3(CC3(C)C(O)C2(O)C1)C=O,mutagenic +[O-][N+](=O)c1cccc(Br)c1,mutagenic +Cc1cc(cc(C)n1)c2cc3N(C4CC4)C5=CC(=O)N(O)C(=O)N5c3cc2F,mutagenic +CN1CCN(CC1)c2ccc3[nH]c(CCCCCCc4ccc5[nH]c(nc5c4)c6ccc(cc6)N(CCCl)CCCl)nc3c2,non-mutagenic +Cn1c(N)nc2nc3cccnc3cc12,non-mutagenic +COC(=O)C[C@H]1[C@@]2(C)[C@H](OC3C[C@H](C(=C23)C)c4cocc4)[C@@H]5OC(=O)[C@]6(C)C=CC(=O)[C@@]1(C)C56,non-mutagenic +CC1(C)C(C=C(Cl)Cl)C1C(=O)OC(C#N)c2cccc(Oc3ccccc3)c2,non-mutagenic +OC1CC=Cc2c1cc3ccc4cccc5ccc2c3c45,mutagenic +COc1ccc(cc1)C(O)C=C,non-mutagenic +CN(Cc1ccccc1)C(=O)CBr,non-mutagenic +Oc1ccc2ncccc2c1,non-mutagenic +S=C=S,non-mutagenic +CCO[Si](C)(OCC)OCC,non-mutagenic +ON(C=O)c1ccc(cc1)c2ccccc2,mutagenic +OCC1=CCN2CC[C@@H](O)[C@@H]12,non-mutagenic +CCOC(=O)c1[nH]c2ccccc2c1\N=C\c3ccc(cc3)[N+](=O)[O-],mutagenic +CC(=O)OC1COC(Nc2ccc(cc2)C(=O)O)C(OC(=O)C)C1OC(=O)C,non-mutagenic +CCN(N=O)C(=O)N,mutagenic +[O-][N+](=O)c1cc2[nH]c3cc(c4ccccc4c3c2c5ccccc15)[N+](=O)[O-],mutagenic +Cc1cccc2nc3c(ccc4ccccc34)cc12,mutagenic +O1C2C1c3cc4c(cc3c5ccccc25)C6OC6c7ccccc47,mutagenic +[O-][N+](=O)C(Br)(Br)Br,mutagenic +OCC1OC(CC1O)n2cnc3c2ncn4ccnc34,non-mutagenic +CC(=C)C(=O)OCCOCCOCCOC(=O)C(=C)C,non-mutagenic +NC(=O)OC1CO1,mutagenic +Clc1cccc(NS(=O)(=O)c2cccc3cccnc23)c1,non-mutagenic +Cc1ncc([N+](=O)[O-])n1C,mutagenic +CCOc1ccc(NC(=O)C)cc1N,mutagenic +CN(C)Cc1ccccc1,non-mutagenic +C[C@H]1OC=C2C(=C(C(=O)O)C(=O)C(=C2[C@@H]1C)C)O,non-mutagenic +CCCCCCCCCC\C=C\[C@H]1CC(=O)OC1=O,non-mutagenic +O=C1NCNC(=O)N1,mutagenic +ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]4C[C@H]([C@H]5O[C@@H]45)[C@@H]3[C@]1(Cl)C2(Cl)Cl,non-mutagenic +CNc1ccc2nc(C)c(C)nc2c1C,mutagenic +COC(=O)c1oc(NO)c(c2ccccc2)c1c3ccccc3,non-mutagenic +OC1c2cccc3ccc4c5ccccc5cc1c4c23,mutagenic +COC(=O)c1oc(N)c(Cl)c1Cl,non-mutagenic +C1CC2=CC3OC3C=C(C1)O2,non-mutagenic +CC[N+](=NC)[O-],non-mutagenic +O=C(Nc1ccccc1)C2C(=O)NC(=S)NC2=O,non-mutagenic +CCCNc1c(C(=O)O)c(Cl)ccc1[N+](=O)[O-],non-mutagenic +c1ccc2c3ccccc3c4ccccc4c2c1,mutagenic +CCCC(=O)OC1C(C)OC(CC1(C)OC(=O)CC)OC2C(C)OC(OC3C(CC=O)CC(C)C(O)\C=C/C=C\CC(C)OC(=O)CC(O)C3OC)C(O)C2N(C)C,non-mutagenic +Nc1cccc(c1CO)[N+](=O)[O-],non-mutagenic +Oc1cccc(c1[N+](=O)[O-])[N+](=O)[O-],mutagenic +ClCCOCCCl,mutagenic +[O-][N+](=O)c1ccc(cc1)c2csc(NC=O)n2,mutagenic +Cc1ccc2c(C)c3ccc4ccccc4c3nc2c1,mutagenic +[O-][N+](=O)c1cccc2csnc12,mutagenic +Cc1cc(cc(c1C)[N+](=O)[O-])[N+](=O)[O-],non-mutagenic +CC(Cl)CO,mutagenic +CC\C=C\C=C\C=C\C=C\C=C\OC,mutagenic +CCCCCN1C2C1c3ccccc3c4ccccc24,mutagenic +CCCCN(CCC(=O)C)N=O,mutagenic +Cc1ccc2ccc3cc4ccccc4c5ccc1c2c35,mutagenic +COC1=CC(=O)c2[nH]c(C)c3c4ccccc4nc3c2C1=O,mutagenic +[O-][N+](=O)C1=Cc2ccc3ccc4cccc5cc1c2c3c45,mutagenic +ONS(=O)(=O)c1cccc2cccnc12,non-mutagenic +COc1c2[C@@H]3C=CO[C@H]3Oc2cc4Oc5c(CCC(C)(C)O)ccc(O)c5C(=O)c14,mutagenic +Nc1ccc2C(=O)c3ccccc3C(=O)c2c1N,mutagenic +C[C@@H]1CCCCN1N=O,mutagenic +Oc1ccc(Cl)cc1C(=O)Nc2ccc(cc2Cl)[N+](=O)[O-],mutagenic +OCC1OC(C(O)C1O)n2cnc3c2ncn4ccnc34,non-mutagenic +Cc1ccc(cc1NO)[N+](=O)[O-],non-mutagenic +Cc1cccc2[nH]nnc12,non-mutagenic +CC(O)C(C)[N+](=O)[O-],non-mutagenic +CC(=C)OC(=O)C,non-mutagenic +NCCNC(=O)c1ccc(Cl)cn1,non-mutagenic +CN(C)[C@H]1[C@H]2C[C@H]3C(=C(O)[C@]2(O)C(=C(C(=O)N)C1=O)O)C(=O)c4c(O)cccc4[C@@]3(C)O,non-mutagenic +C1=Cc2c3c1cccc3cc4ccc5ccccc5c24,mutagenic +CC(=O)Nc1cccc2Cc3ccccc3c12,mutagenic +Cc1c(C)c(Br)c(Br)c(Br)c1Br,non-mutagenic +COc1ccc(N(CCCl)CCCl)c2oc(cc12)[N+](=O)[O-],mutagenic +CC(=O)Nc1ccc(Oc2ccc(NO)cc2)cc1,mutagenic +CCN(CC)C(=S)SC1OC(CO)C(O)C(O)C1O,non-mutagenic +ON(C=O)c1ccccc1,non-mutagenic +CCOC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,mutagenic +CN1C(=O)CC(=O)N(c2ccccc2)c3cc(Cl)ccc13,non-mutagenic +CC(=O)OCC(=O)[C@]1(CC[C@H]2[C@@H]3C[C@@H](F)C4=CC(=O)C(=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C)Br)OC(=O)C,non-mutagenic +CC(=C)C(=O)OCCO,non-mutagenic +CC(C)NCC(O)COc1cccc2CC(O)COc12,non-mutagenic +NC1=NC(=O)N(C=C1)[C@@H]2CC[C@H](CO)O2,mutagenic +Clc1cccc(c1)c2oc3ccccc3n2,non-mutagenic +Nc1cccc(O)c1,mutagenic +CCOS(=O)(=O)c1ccccc1,mutagenic +COc1ccc(cc1N=Nc2c(O)c(cc3ccccc23)C(=O)Nc4cccc(c4)[N+](=O)[O-])[N+](=O)[O-],mutagenic +Fc1cc2cccnc2c3ccccc13,mutagenic +N\N=C\1/N=NC=C2C=CC=C[C@H]12,mutagenic +[O-][N+](=O)c1cc(c(Cl)c(c1)[N+](=O)[O-])[N+](=O)[O-],mutagenic +CCC(C)C,non-mutagenic +NC(CCN=[N+]=[N-])C(=O)O,mutagenic +CC1(C)C(CCC2(C)C1CCC3(C)C2C(=O)C=C4C5CC(C)(CCC5(C)CCC34C)C(=O)O)OC6OC(C(O)C(O)C6OC7OC(C(O)C(O)C7O)C(=O)O)C(=O)O,non-mutagenic +NNc1nncc2cnccc12,mutagenic +[O-][N+](=O)c1cccc(c1)[N+](=O)[O-],mutagenic +Nc1cccc2C(=O)c3ccccc3C(=O)c12,mutagenic +[O-][N+](=O)c1ccc2N(S\C(=N/C(=O)c3ccccc3[N+](=O)[O-])\c2c1)C(=O)c4ccccc4[N+](=O)[O-],mutagenic +Oc1c(Br)cc(Br)cc1c2cc(Br)cc(Br)c2OP(=O)(O)O,non-mutagenic +Cc1cc(C)c2nc3c(ccc4ccccc34)c(C)c2c1,mutagenic +CCCC[C@@H](CC)COC(=O)C(=C(c1ccccc1)c2ccccc2)C#N,non-mutagenic +COc1ccc(cn1)N=Nc2ccc(cc2)N(C)C,mutagenic +O=C1Oc2cccc3ccc4cccc1c4c23,non-mutagenic +NC1=N[C@@H](CS1)C(=O)O,non-mutagenic +[O-][N+](=O)c1ccc(I)c(c1)[N+](=O)[O-],mutagenic +Nc1nc2c(CCc3ncccc23)s1,mutagenic +Cc1cccc(O)c1N,non-mutagenic +Nc1ccc2ccc3cc4ccccc4c5ccc1c2c35,mutagenic +[O-][N+](=O)c1cc(c2[nH]c3cnc(cc3c2c1)[N+](=O)[O-])[N+](=O)[O-],mutagenic +OCCOCCOCCO,mutagenic +CCCCCCCCOP(=O)(OCCCCCCCC)OCCCCCCCC,non-mutagenic +CCCCCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCCCCCC,non-mutagenic +CCCCCCCCCCCC(=O)NCCO,non-mutagenic +CC(C)C1=CC2=CCC3C(C)(CCCC3(C)C(=O)O)C2CC1,non-mutagenic +Cc1cccc2cc3ccc4cccc5ccc(c12)c3c45,mutagenic +CNc1ccc(cc1)N=Nc2ccccc2,mutagenic +Cc1cc(N)c(C)c(c1N)[N+](=O)[O-],mutagenic +CN(C)C(=O)Nc1ccc(Cl)cc1,non-mutagenic +[O-][N+](=O)O[C@H]1CO[C@@H]2[C@@H](CO[C@H]12)O[N+](=O)[O-],non-mutagenic +CCOC(=O)C(CCc1ccccc1)NC(C)C(=O)N2C3CCCCC3CC2C(=O)O,non-mutagenic +ClC(Cl)C(c1ccc(Cl)cc1)c2ccc(Cl)cc2,non-mutagenic +C(C(C1CCCCC1)C2CCCCC2)[C@H]3CCCCN3,non-mutagenic +ClC1=C(Cl)C(=O)C(Cl)(Cl)C1=O,non-mutagenic +CCOC(=O)C(=NNc1ccc(cc1Cl)c2ccc(NN=C(C(=O)OCC)C(=O)OCC)c(Cl)c2)C(=O)OCC,non-mutagenic +CN(C)c1ccc(\C=C\c2ccccc2)cc1,mutagenic +Cn1nc(cc1N)C2CC2,mutagenic +C[C@@H](Oc1ccc(Cl)cc1C)C(=O)O,non-mutagenic +CCN(CCCCO)N=O,mutagenic +CC(=O)c1ccc(cc1)S(=O)(=O)NC(=O)NC2CCCCC2,non-mutagenic +[O-][N+](=O)c1ccc2[C@H]3O[C@H]3c4cccc5c6ccccc6c1c2c45,mutagenic +CCOC(=O)C(=C)C#N,non-mutagenic +OCCNc1nc(nc2ccccc12)c3ccc(s3)[N+](=O)[O-],mutagenic +Cc1ccc(NN=NCc2ccc(cc2)[N+](=O)[O-])cc1,mutagenic +CC(C)N=C=NC(C)C,non-mutagenic +Nc1ccc(\C=C\c2ccc(Cl)cc2)cc1,mutagenic +N(c1ccccc1)c2cccc3ccccc23,non-mutagenic +NC(=O)c1[nH]cnc1[N+]#N,mutagenic +C(Oc1cccc2ccccc12)C3CO3,mutagenic +Cc1ccc(cc1S(=O)(=O)O)N=Nc2c(O)ccc3ccccc23,non-mutagenic +O=C1NC2(CCCCC2)C(=O)N1CCN3CC3,mutagenic +OC1C2OC2c3c(ccc4ncccc34)C1O,non-mutagenic +OC[C@H](O)CCl,mutagenic +CC(C)CC(=O)O[C@@H]1OC=C(COC(=O)C)C2=C[C@H](OC(=O)CC(C)C)[C@]3(CO3)[C@@H]12,mutagenic +CC(=O)c1ccc(Cl)c(Cl)c1Cl,mutagenic +Cn1c(N)nc2ccccc12,mutagenic +OC1COC2(O)C1OC(=O)C2(O)Cc3c[nH]c4ccccc34,non-mutagenic +C1=Cc2cc3ccccc3c4cccc1c24,mutagenic +O=Cc1ccc2OCOc2c1,non-mutagenic +COc1ccc2c(c1)C(=O)c3nccc4cc5OCOc5c2c34,mutagenic +CN(C)c1ccc(N=Nc2cccnc2)c(NC(=O)C)c1,non-mutagenic +CCN(CC)CCN1C(=O)CN=C(c2ccccc2F)c3cc(Cl)ccc13,non-mutagenic +OC(=O)CCCCCCCBr,mutagenic +Nc1ccc(cc1F)c2ccc(N)c(F)c2,mutagenic +Nc1ccccc1C(=O)OCCc2ccccc2,non-mutagenic +Nc1c(Oc2ccccc2)cc(O)c3C(=O)c4ccccc4C(=O)c13,mutagenic +Cc1ccc(N=Nc2c(O)ccc3ccccc23)c(C)c1,mutagenic +OCc1c2ccccc2c3ccc4cccc5ccc1c3c45,mutagenic +Cc1cc2ccccc2c3cc4C=CC(O)C(O)c4cc13,mutagenic +Nc1cc2nc3ccc(Cl)cc3nc2cc1N,mutagenic +Clc1ccc(cc1Cl)N=Nc2ccc(Cl)c(Cl)c2,non-mutagenic +Nc1cccc2c(Cl)nsc12,mutagenic +C(Oc1ccc2ccccc2c1)C3CO3,mutagenic +CN(C)CCN(C)N=O,mutagenic +Cc1ccc2c(Cc3cc(C)ccc23)c1,non-mutagenic +COC(=O)c1ccccc1,non-mutagenic +CN(Cc1cccc(c1)C(F)(F)F)N=O,mutagenic +Clc1cccc(C=O)c1Cl,non-mutagenic +CCOc1ccc(NC(=O)N)cc1,non-mutagenic +Nc1ccc(CO)c(c1)[N+](=O)[O-],mutagenic +ON(C=O)c1ccc(Cl)c(Cl)c1,non-mutagenic +Cc1ccc(Nc2ccc(N)c3C(=O)c4ccccc4C(=O)c23)c(c1)S(=O)(=O)O,mutagenic +Oc1ccc2ccc3ccc(c4ccc1c2c34)[N+](=O)[O-],mutagenic +CC1=CC(=O)C=C2CCC3C4CCC(=O)C4(C)CCC3C12C,non-mutagenic +OC(CN=N#N)Cn1cnc2c(Cl)ncnc12,mutagenic +O=C1c2ccccc2c3ccc4C(=O)c5ccccc5c6ccc1c3c46,non-mutagenic +Cc1c2ccc(CO)cc2nc3c1ccc4ccccc34,mutagenic +Cc1ccc(C)c2c3cc(ccc3[nH]c12)[N+](=O)[O-],mutagenic +COc1ccc(cc1)C(=O)N2N=CC(=C(Cl)C2=O)Cl,non-mutagenic +CCC1OC1c2ccccc2,non-mutagenic +CC(C)Oc1ccc(Nc2ccccc2)cc1,non-mutagenic +[O-][N+](=O)c1oc(\C=N\n2cccn2)cc1,mutagenic +O[C@@H]1CC(=O)c2c(O)ccc3c4ccc(O)c5C(=O)CC[C@H](c45)[C@@]1(O)c23,mutagenic +[O-][N+](=O)C1=Cc2c3ccc4ccccc4c3cc5cccc1c25,mutagenic +OC(=O)Cc1ccc(O)c(O)c1,mutagenic +ONC(=O)CNC(=O)c1ccccc1,mutagenic +FC(=C(F)Cl)F,non-mutagenic +CN1[C@@H](CSCC(F)(F)F)Nc2cc(Cl)c(cc2S1(=O)=O)S(=O)(=O)N,non-mutagenic +O[C@@H]1C=Cc2c(ccc3c4ccccc4c(cc23)[N+](=O)[O-])[C@H]1O,mutagenic +C1CN(CCO1)SSN2CCOCC2,non-mutagenic +CC(C)C(=O)N(O)c1ccc(Cl)cc1,mutagenic +OCCN(CCO)c1nc(nc2ccccc12)c3cccs3,non-mutagenic +OCCNCCN1C(=O)c2ccccc2C3=C1c4ccccc4C3=O,non-mutagenic +CCOC(=O)CNC(=O)C=[N+]=[N-],mutagenic +Nc1ccc2c(ccc3ccccc23)c1,mutagenic +C1C[C@@H]2O[C@@H]2[C@H]1O[C@H]3CC[C@@H]4O[C@H]34,non-mutagenic +Nc1ccc(Oc2ccccc2)cc1,mutagenic +NCCCN1CCN(CCCN)CC1,non-mutagenic +CCOC(=O)N(C)C,mutagenic +Cc1cccs1,non-mutagenic +Cl[Si](Cl)(Cl)Cl,non-mutagenic +CO,non-mutagenic +Nc1ccc(Cl)c(c1)C(F)(F)F,non-mutagenic +CC=C,mutagenic +Cc1ccc(NC(=O)CBr)cc1,non-mutagenic +CC(C)NC(=O)\C=C/c1oc(cc1)[N+](=O)[O-],mutagenic +COc1ccc(CNC(=O)C(C)Br)cc1OC,mutagenic +Oc1cccc2c1ccc3c4C=Cc5cccc(cc23)c45,mutagenic +N[C@H](CN=[N+]=[N-])C(=O)O,mutagenic +CC(=C\C(=N\Nc1nncc2ccccc12)\C)C,mutagenic +CC(=O)NC(CSCCCl)C(=O)O,mutagenic +[O-][N+](=O)c1ccc2c(c1)c3ccc(c4cccc2c34)[N+](=O)[O-],mutagenic +CCCCCCCCCCCCCCCCCC(=O)O,non-mutagenic +[O-][N+](=O)c1ccc(SSc2ccc(cc2)[N+](=O)[O-])cc1,mutagenic +CCc1occc1,non-mutagenic +ClC(=C(Cl)\C(=C(/Cl)\SCc1ccccc1)\Cl)Cl,mutagenic +CC(C)C(O)(C(C)O)C(=O)OCC1=CCN2CCC(O)C12,non-mutagenic +N(c1ccc(Nc2ccc3ccccc3c2)cc1)c4ccc5ccccc5c4,mutagenic +Clc1ccccc1C=C(C#N)C#N,mutagenic +Brc1ccc(cc1)C2OC2C(=O)c3ccccc3,non-mutagenic +ClCCN(CCCl)P1(=O)NC(=O)CCO1,mutagenic +BrCC(Br)c1ccccc1,mutagenic +C1CCC2OCCOCCOC3CCCCC3OCCOCCOCCOC2C1,non-mutagenic +Cc1c(c(C)c(c(c1[N+](=O)[O-])C(C)(C)C)[N+](=O)[O-])[N+](=O)[O-],non-mutagenic +Cc1c(C)c(N)c(C)c(C)c1N,non-mutagenic +c1c[nH]cn1,non-mutagenic +Cc1ccccc1NS(=O)(=O)c2cccc3cccnc23,non-mutagenic +OCc1c2ccccc2c(CO)c3c1ccc4ccccc34,mutagenic +COc1cccc(c1)C(=O)CBr,non-mutagenic +Cc1ccc2cc3c4[C@H](O)[C@H](O)C=Cc4ccc3c5CCc1c25,mutagenic +CC(=O)Nc1cccc2cc(F)cnc12,mutagenic +Nc1ccc(\C=C\c2cccc(N)c2)cc1,mutagenic +CC(C)OC(=O)\C=C\c1oc(cc1)[N+](=O)[O-],mutagenic +OC1=CC(=O)C(=O)c2ccccc12,mutagenic +Cl\C=C/C[N+]12CN3CN(CN(C3)C1)C2,mutagenic +Cc1ccc(cc1[N+](=O)[O-])C(=O)O,mutagenic +C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](CC[C@]34C)OC(=O)Cc5ccc(cc5)N(CCCl)CCCl)[C@@H]1CCC(=O)N2,mutagenic +On1nnc2ccccc12,non-mutagenic +CCc1c(Br)c(Br)c(Br)c(Br)c1Br,non-mutagenic +O=C1C=CC(=O)C=C1,non-mutagenic +ClCl,non-mutagenic +Oc1cccc2ccccc12,non-mutagenic +Cc1cc(O)c2C(=O)c3ccccc3C(=O)c2c1O,mutagenic +CC(C)CC(=O)OCc1cocc2c(C=O)ccc12,mutagenic +O[C@@H]1[C@@H](O)c2cccc3c4c(ccc5ccccc45)[C@]6(O[C@H]16)c23,mutagenic +CCCCOCCOCCOCc1cc2OCOc2cc1CCC,non-mutagenic +Cc1cccc(OP(=O)(Oc2cccc(C)c2)Oc3cccc(C)c3)c1,non-mutagenic +ClCC(CCl)(CCl)CCl,non-mutagenic +OC1C=Cc2ccc3c4ccccc4sc3c2C1O,non-mutagenic +C=Cc1ccncc1,non-mutagenic +CCCCCCCCC(Cl)CCC(Cl)CC(Cl)C(Cl)C(Cl)CC(=O)OC,non-mutagenic +COP(=O)(OC)Oc1ccc(c(C)c1)[N+](=O)[O-],mutagenic +CC(C)NCC(O)c1ccc2ccccc2c1,non-mutagenic +N[C@@H]1CC[C@@H](N)CC1,non-mutagenic +Nc1nc(NO)c2[nH]cnc2n1,mutagenic +[O-][N+](=O)c1cccc2c1OC(=O)c3ccccc23,mutagenic +ClC1(Cl)[C@@]2(Cl)[C@]3(Cl)[C@@]4(Cl)C(Cl)(Cl)[C@]5(Cl)[C@@](Cl)([C@@]1(Cl)[C@]35Cl)[C@@]24Cl,non-mutagenic +NC(CS)C(=O)NCC(=O)O,mutagenic +CNC(=O)ONC(=O)C,mutagenic +Cc1ccc(c(N)c1)[N+](=O)[O-],non-mutagenic +Cc1ccc2cc3c4ccccc4C5NC5c3c6CCc1c26,mutagenic +Fc1ccnc2ccccc12,mutagenic +CCN(CC)CCNc1ccc(C)c2Sc3ccccc3C(=O)c12,mutagenic +Cc1cccc(C)c1O,non-mutagenic +COCOC,non-mutagenic +NCCCS(=O)(=O)Nc1ccc(Nc2c3ccc(cc3nc4cc(ccc24)N=N#N)N=N#N)cc1,mutagenic +CCOC(=O)CNC(=O)C(C)(C)Br,non-mutagenic +Oc1ccc(O)nn1,non-mutagenic +Cc1cccc(N)c1C,mutagenic +Oc1ccc(c(c1)[N+](=O)[O-])[N+](=O)[O-],mutagenic +Cc1ccccc1C#N,non-mutagenic +COc1ccc(CC=C)cc1,non-mutagenic +COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)\C(=N\NC(=O)c6ccccc6)\C,mutagenic +CCOC(=O)NNc1nncc2ccccc12,mutagenic +CCCCNC(=O)\C=C\c1oc(cc1)[N+](=O)[O-],mutagenic +CC(=O)OC1(CCC2C3C=C(Cl)C4=CC(=O)C5CC5C4(C)C3CCC12C)C(=O)C,non-mutagenic +OCC(O)CO,non-mutagenic +COP(=S)(OC)Oc1ccc(N=O)c(C)c1,mutagenic +CN1C=CN(COCCC(C)(C)[N+](=O)[O-])C1\C=N\O,non-mutagenic +O=C(C1OC1c2ccc(Oc3ccccc3)cc2)c4ccccc4,non-mutagenic +CN(C)N=Nc1ccc(Cl)cc1,mutagenic +CCCCCCCCCCCCCCCCCCCC,non-mutagenic +OC(=O)c1ccccc1Cl,non-mutagenic +CN(C)C(=O)c1nc(CNC(=O)CN)n(n1)c2ccc(Cl)cc2C(=O)c3ccccc3Cl,non-mutagenic +CCCC\C=C\C=C\C=C\C=C\C=C\OC,mutagenic +CCCCOS(=O)(=O)C,mutagenic +[O-][N+](=O)c1ccc2cccc3CCc1c23,mutagenic +Nc1ccccc1,non-mutagenic +Oc1ccc2C(=O)c3cccc4c(O)ccc(c2c1)c34,mutagenic +ClC1=C(Cl)C(=O)C(=C(C#N)C1=O)C#N,non-mutagenic +CCOC(=O)N,mutagenic +C(N1CCN=N1)c2ccccc2,mutagenic +CN1C=CN(CCS(=O)(=O)C)C1\C=N\O,non-mutagenic +NC1=NC(=O)N(C=N1)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O,mutagenic +BrC(Br)C#N,mutagenic +[O-][N+](=O)c1c(nc2sccn12)c3ccc(Cl)cc3,mutagenic +CCN1C=C(C(=O)O)C(=O)c2cnc(nc12)N3CCNCC3,mutagenic +O=NN1CCCCCC1,mutagenic +Nc1ccc2ccc3ccc(c4ccc1c2c34)[N+](=O)[O-],mutagenic +FC(F)(F)c1ccc(Cl)cc1,non-mutagenic +CC(=O)C=O,mutagenic +[O-][N+](=O)c1ccc(Cl)cc1Cl,mutagenic +CN(C)c1ccc(cc1)C(=C2C=CC(=[N+](C)C)C=C2)c3c(O)c(cc4cc(ccc34)S(=O)(=O)O)S(=O)(=O)O,non-mutagenic +CC(=O)Oc1c(OC(=O)C)c2c(ccc3c4ccccc4c5cccc1c5c23)[N+](=O)[O-],mutagenic +CCCCCCCCCCCCc1ccccc1,non-mutagenic +CCc1cccc(CC)c1N(COC)C(=O)CO,non-mutagenic +CC1CC2=C(C3C(C=C(C)C2=O)C(CCC3=C)C(=C)C)C1=O,non-mutagenic +[O-][N+](=O)c1cccc(Cl)c1,non-mutagenic +OCC1=CC(=O)C(=CO1)O,mutagenic +Oc1ccc(Cl)cc1,non-mutagenic +O=C([C@H]1O[C@@H]1c2ccccc2)c3ccccc3,mutagenic +ONc1ccc(Cl)cc1,non-mutagenic +C[C@@H]1CCCC[C@H]1NC(=O)Nc2ccccc2,non-mutagenic +Clc1cccc2c1oc3ccccc23,non-mutagenic +[O-][N+](=O)c1cc(Cl)c(Cl)c(Cl)c1,mutagenic +CC(=O)Nc1ccc2c(Cc3cc(O)ccc23)c1,mutagenic +COC1COC(COCC2COC(OC)C(OS(=O)(=O)O)C2OS(=O)(=O)O)C(OS(=O)(=O)O)C1OS(=O)(=O)O,non-mutagenic +OC(Cc1cn(N=O)c2ccccc12)C(=O)O,mutagenic +COC(=O)Nc1nc2ccccc2[nH]1,mutagenic +ClCc1cccc2c3cccc4cccc(c12)c34,mutagenic +CCCN(CCC)N=O,mutagenic diff --git a/classification/mutagenicity.json b/classification/mutagenicity.json new file mode 100644 index 0000000..b7344d7 --- /dev/null +++ b/classification/mutagenicity.json @@ -0,0 +1,5 @@ +{ + "species": "Salmonella typhimurium", + "endpoint": "Mutagenicity", + "source": "http://pubs.acs.org/doi/full/10.1021/ci900161g" +} |