Mutagenicity download
authorhelma@in-silico.ch <helma@in-silico.ch>
Mon, 12 Nov 2018 19:43:46 +0000 (20:43 +0100)
committerhelma@in-silico.ch <helma@in-silico.ch>
Mon, 12 Nov 2018 19:43:46 +0000 (20:43 +0100)
data/Mutagenicity-Salmonella_typhimurium.csv [new file with mode: 0644]
data/Mutagenicity-Salmonella_typhimurium.json [new file with mode: 0644]
data/parts/cas_4337.sdf [new file with mode: 0644]
data/parts/cas_4337.zip [new file with mode: 0644]
data/parts/efsa.tsv [new file with mode: 0644]
data/parts/efsa.xls [new file with mode: 0644]
data/parts/hansen-original.csv [new file with mode: 0644]
data/parts/hansen.csv [new file with mode: 0644]
lib/download.rb
test/use_cases.rb

diff --git a/data/Mutagenicity-Salmonella_typhimurium.csv b/data/Mutagenicity-Salmonella_typhimurium.csv
new file mode 100644 (file)
index 0000000..0694a94
--- /dev/null
@@ -0,0 +1,8282 @@
+Canonical SMILES,Mutagenicity
+O=C1c2ccccc2C(=O)c2c1c1[nH]c3c(c1c1c2[nH]c2c1ccc1c2C(=O)c2ccccc2C1=O)ccc1c3C(=O)c2ccccc2C1=O,non-mutagenic
+NNC(=O)CNC(=O)/C=N#N,mutagenic
+N1C(=O)/C(=N#N)/C=NC1=O,mutagenic
+NC(=O)CNC(=O)/C=N#N,mutagenic
+CCCCN(CC(C1=C/C(=N#N)/C(=O)C=C1)O)N=O,mutagenic
+NC(C(=O)O)COC(=O)/C=N#N,mutagenic
+CCN(CC(C1=CC(=O)/C(=N#N)/C=C1)O)N=O,mutagenic
+O=C1OCC2(C(=C1)C(=CC1C2CCC2(C1CCC2(OC(=O)C)C(=O)C)C)Cl)C,non-mutagenic
+Nc1nc(N)nc(n1)N,non-mutagenic
+Cc1ccc(c(c1)[N+](=O)[O-])N=Nc1c(O)ccc2c1cccc2,mutagenic
+CC(CC(=O)Nc1snc2c1cccc2)C,non-mutagenic
+[O-][N+](=O)c1cccc(c1C)C,mutagenic
+CCCCCCC(=O)OC1(C#C)CCC2C1(C)CCC1C2CCC2=CC(=O)CCC12,non-mutagenic
+[O-][N+](=O)CCC,non-mutagenic
+OC(=O)c1cc(cc2c1nccc2)[N+](=O)[O-],mutagenic
+OC1C=Cc2c(C1O)ccc1c2cc2ccccc2c1Br,mutagenic
+NC(=O)Nc1nc2c([nH]1)cccc2,mutagenic
+C[C@H](CCC(=O)c1cocc1)O,non-mutagenic
+Nc1ccc2c(c1)oc1c2cccc1,mutagenic
+Cc1ccc2c(c1)c1cc(C)ccc1cc2,mutagenic
+Cc1cc2c(c3c1nc(cn3)c1ccccc1)nc(n2C)N,mutagenic
+CCN(/C(=N/O)/C=O)N=O,mutagenic
+NNc1nnc(c2c1cccc2)NN,mutagenic
+C=CC(=O)NCNC(=O)C=C,mutagenic
+OCc1cc2cccc3-c4c(-c(c1)c23)cccc4,non-mutagenic
+Cc1ccccc1c1ccccc1,non-mutagenic
+Cc1cc(O)c2c(c1)C(=O)C13C4(C2=O)C(=O)C2C(C1C1C(C3C(=O)C34C(=O)c4c(O)cc(cc4C(=O)C213)C)C)C,non-mutagenic
+Cc1nc(N)nc(n1)N,non-mutagenic
+CCNc1nc(N)nc(n1)Cl,non-mutagenic
+C1CCC(CC1)N1C2C1c1ccccc1-c1c2cccc1,mutagenic
+CCCCB(CCCC)CCCC,mutagenic
+CC(=O)NC(C(=O)O)CSC(=C(Cl)Cl)Cl,mutagenic
+C[C@H]1CC[C@@H]2[C@@H](C1)[C@@H](CC[C@@H]2C)C(C)C,mutagenic
+CCNN=NCC,mutagenic
+Oc1cccc(c1)[N+](=O)[O-],mutagenic
+[O-][N+](=O)c1ccc2-c3c4c(-c2c1)cccc4ccc3,mutagenic
+OCc1ccco1,non-mutagenic
+c1ccc(cc1)c1ccc(cc1)CC[C@@H]1OC1,mutagenic
+Oc1cc2c(c3c1cccc3)ccc1c2cccc1,mutagenic
+Oc1ccc2c(c1N=Nc1ccccc1)cccc2,mutagenic
+N[C@@H]1CC[C@H](CC1)C[C@@H]1CC[C@H](CC1)N,non-mutagenic
+COC(=O)C12CC2(C=O)C(=CC2C1CC(C2)(C)C)C=O,mutagenic
+CCOC(=O)C(Br)C,mutagenic
+COC1(CCCC1)OC1CCC2C1(C)CCC1C2CCC2C1(C)CC1SC1C2,non-mutagenic
+ClCCN(CCCNc1c2CCCCc2nc2c1cccc2)CC,mutagenic
+OCCC1(O)NC(=O)C2(C1O2)C(=O)/C(=C/C=C/C(=C/C(=C/C1=CCOC1=O)/C)/C)/C,mutagenic
+CC[P@](=S)(Sc1ccccc1)OCC,non-mutagenic
+Nc1ccc(c(c1)N)[N+](=O)[O-],mutagenic
+CCSCCSP(=O)(OC)OC,non-mutagenic
+OC(=O)c1ccccc1C,non-mutagenic
+CC(=CC1C(C1(C)C)C(=O)OCc1cccc(c1)Oc1ccccc1)C,mutagenic
+Brc1ccccc1,non-mutagenic
+Cc1cc(N)c(cc1Cl)S(=O)(=O)O,non-mutagenic
+Oc1ccc2c(c1)ccc(c2)SSc1ccc2c(c1)ccc(c2)O,non-mutagenic
+CN(CCNC(=O)c1cccc2c1C(=O)c1ccccc1C2=O)C,mutagenic
+Clc1cc(Cl)c2c(c1)c(N)sn2,mutagenic
+ClCC1(C(Cl)Cl)C2CC(C1(CC2(Cl)Cl)C(Cl)Cl)(Cl)Cl,non-mutagenic
+Cc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1c1c(O)cc(c2c1C(=O)c1cc(C)cc(c1C2=O)O)O)O,non-mutagenic
+COCCl,non-mutagenic
+O=NN1CCOCC1,mutagenic
+Nc1ccc(cc1)Oc1cccc(c1)Oc1ccc(cc1)N,mutagenic
+Nc1ccc(cc1)Nc1ccccc1,non-mutagenic
+CCCCCOC(=O)C(=C)C,non-mutagenic
+OC(=O)c1ccccc1,non-mutagenic
+[O-][N+](=O)c1ccc(cc1)Cn1cnc2c1ncnc2N,mutagenic
+c1cc2Cc3c4c2c(c1)ccc4ccc3,mutagenic
+Fc1ccccc1c1ccccc1,non-mutagenic
+Clc1ccc(cc1Cl)c1ccc(c(c1Cl)Cl)Cl,non-mutagenic
+CC(=CCc1ccc(c2c1oc1cc3OC4C(c3c(c1c2=O)O)(O)C=CO4)O)C,mutagenic
+CC1COCc2c1cc1c(c2)C(C(C1(C)C)C)(C)C,non-mutagenic
+OC(=O)CSc1nc(cc(n1)Cl)Nc1cccc(c1C)C,non-mutagenic
+Nc1ccc2c(c1N=Nc1ccc(cc1)[N+](=O)[O-])cccc2,mutagenic
+OCC(=O)C1(O)CC(OC2CC(N)C(C(O2)C)O)c2c(C1)c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2OC,mutagenic
+Oc1ccc(cc1)Cc1ccccc1O,non-mutagenic
+CC(OC)CCO,non-mutagenic
+CC(=O)N(c1ccc(cc1)Oc1ccccc1)O,mutagenic
+OP(Oc1ccc(cc1)C(c1ccc(cc1)OP(O)O)(C)C)O,non-mutagenic
+CCCCCCCC(=O)Cl,mutagenic
+BrC(C(C)(C)C)C(=O)Nc1ccccc1,non-mutagenic
+CCN(CCNc1ccc2c3c1c(=O)c1cc(O)ccc1n3c(n2)C)CC,mutagenic
+[O-][N+](=O)c1cnc(s1)NC(=O)NCC,mutagenic
+COc1ccc(c2c1oc1c3c(O[C@H]4[C@H]3C=CO4)cc(c1c2=O)OC)O,mutagenic
+Clc1cc2Oc3cc([N+](=O)[O-])c(cc3Oc2cc1Cl)Cl,mutagenic
+COC(=O)C(=C)C,non-mutagenic
+Oc1ccc2-c3ccc(c4c3[C@@]([C@H]3c2c1C(=O)[C@@H]1O[C@H]31)(O)C=CC4=O)O,mutagenic
+COC(=O)N,non-mutagenic
+NNc1n[nH]c(c2-c1c1ccccc1n2)n1nc(cc1C)C,non-mutagenic
+Fc1cnc2c(c1)c1ncccc1cc2,mutagenic
+O=C(NC(c1nc2c(s1)cccc2)S)NC(c1nc2c(s1)cccc2)S,mutagenic
+BrCc1c2ccccc2c(c2c1cccc2)C,mutagenic
+Nc1cccc2c1nc1CCCCc1c2,mutagenic
+COC(=O)C=C,non-mutagenic
+CC(=O)Nc1c(O)cc2-c3c(-c4c2c1ccc4)cccc3,mutagenic
+OC1C=Cc2c(C1)cc1c3c2ccc2c3c(cc1)ccc2,mutagenic
+Oc1ccc2-c3c4c(-c2c1)ccc(c4ccc3)[N+](=O)[O-],mutagenic
+OC1C=Cc2c(C1O)c([N+](=O)[O-])c1c(c2)cccc1,non-mutagenic
+Cc1ccc(c(c1)S(=O)(=O)O)N=Nc1c(O)c(cc2c1cccc2)C(=O)O,non-mutagenic
+CN=C1C=CC(=C(c2ccc(cc2)N(C)C)c2ccc(cc2)N(C)C)C=C1,non-mutagenic
+CCCCN(COC(=O)C)N=O,mutagenic
+C1CCC2=C(C1)c1c3ccccc3cc3c1c2cc1c3cccc1,mutagenic
+ClCCN(P(=O)(OCCC(=O)O)N)CCCl,mutagenic
+Clc1cc(Cc2cc(O)c(c(c2)Cl)N)cc(c1N)OS(=O)(=O)O,non-mutagenic
+C1COCCS1,non-mutagenic
+Cc1ccccc1N,mutagenic
+O=C1c2ccccc2-c2c1cccc2,non-mutagenic
+C1CCCC2C(CC1)O2,non-mutagenic
+C1=Cc2c(CC1)c1cc3c(nc1cc2)ccc1c3cccc1,mutagenic
+N#N=Nc1ccc2c(c1)c(Nc1ccc(cc1)NS(=O)(=O)C)c1c(n2)cc(cc1)N=N#N,non-mutagenic
+CN(CCN(c1ccccn1)Cc1ccccc1)C,non-mutagenic
+C/C=C(/C1=CC(=O)C23C(C1=O)(O)OC(C3C2)(C)C)\Cl,mutagenic
+OC(=O)CCC(C(=O)O)NC(=O)c1ccc(cc1)N(Cc1cnc2c(n1)c(N)nc(n2)N)C,non-mutagenic
+CCNc1ccccc1,non-mutagenic
+Nc1ccccc1SCCSc1ccccc1N,mutagenic
+ONC(=O)c1ccccc1O,mutagenic
+[O-][N+](=O)c1cccc(c1N)O,non-mutagenic
+Nc1ccc(cc1)/C=C/c1ccc(cc1)C(C)(C)C,non-mutagenic
+OC(=O)[C@H]([C@H](C(=O)O)CC(=O)O)CC(=O)O,mutagenic
+c1cc2cccc3c2c(c1)CC3,non-mutagenic
+OCCN(c1ccc(c2c1nc1ccccc1c2NCCCN(C)C)[N+](=O)[O-])CCO,mutagenic
+CCCCOc1ccc(cc1)N=O,mutagenic
+Nc1cc(Cl)c(cc1S(=O)(=O)O)C,mutagenic
+COC(=O)C1=CCCN(C1)C,mutagenic
+CNC(=O)ON,mutagenic
+OC(=O)C=C,non-mutagenic
+OC(=O)CC(=O)O,non-mutagenic
+CCCCC=O,non-mutagenic
+O=Nc1ccccc1c1ccccc1,mutagenic
+Fc1ccc(cc1)Cn1c(nc2c1cccc2)N1CCC(CC1)N(c1nccc(n1)O)C,non-mutagenic
+SCC(C(=O)O)NC(=O)C(SC)(C)C,non-mutagenic
+C[n+]1ccc(cc1)c1cc[n+](cc1)C,non-mutagenic
+N#N=NCC(C(C(C(C=O)O)O)O)O,mutagenic
+CCCCCNc1snc2c1cccc2,non-mutagenic
+CCCCCCCCCCCC(=O)OOC(=O)CCCCCCCCCCC,non-mutagenic
+[O-][N+](=O)c1ccc(c(c1)S(=O)(=O)O)C,non-mutagenic
+[O-][N+](=O)c1cccc(c1)S(=O)(=O)O,non-mutagenic
+COc1ccc(c(c1)C(C)(C)C)O,non-mutagenic
+ClCN1C(=O)c2c(C1=O)cc(cc2)[N+](=O)[O-],mutagenic
+CC1CC(C)(C)c2c(C1(C)C)cc(c(c2)C(=O)C)C,non-mutagenic
+OCc1cc2ccc3c4c2c(c1)ccc4ccc3,mutagenic
+CCCCON(C(=O)c1ccc(cc1)c1ccccc1)OC(=O)C,mutagenic
+C#C[C@]1(O)CC[C@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=C1CCC(=O)C2,non-mutagenic
+N#Cc1ccccc1C#N,non-mutagenic
+CC(=O)Nc1cc(ccc1C)N=[N+](c1ccc(c(c1)NC(=O)C)C)[O-],non-mutagenic
+CC(OC(=O)C1=C(C)N=C(C(=C(OC2CN(C2)C(c2ccccc2)c2ccccc2)O)C1c1cccc(c1)[N+](=O)[O-])N)C,non-mutagenic
+C1CN=C(N1)c1ccc(cc1)c1[nH]c2c(c1)ccc(c2)C1=NCCN1,non-mutagenic
+CC1CN(C)C2C(C1)c1cccc3c1c(C2)c[nH]3,mutagenic
+CCCCCCOC(=O)C=C,non-mutagenic
+CN(N=Nc1ccc(cc1)C(=O)O)C,non-mutagenic
+ClC(c1ccccc1)(Cl)Cl,mutagenic
+CCCCCCCCCCCCCCCCCCNC(=O)CCCCCCCCCCC/C=C/CCCCCCCC,non-mutagenic
+O=c1ccc2c(o1)c(OCC1OC1(C)C)c1c(c2)cco1,non-mutagenic
+CCC([N+](=O)[O-])CC,non-mutagenic
+CCCC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)CCC,mutagenic
+N#Cc1ccc(cc1)C,non-mutagenic
+[O-][N+](=O)c1ccc2c3c1c1ccccc1c1c3c(cc2)ccc1[N+](=O)[O-],non-mutagenic
+COc1nsc2c1ccc(c2)OCC1CO1,mutagenic
+Oc1c(Br)cc2c(c1Br)oc1c(c2=O)c(C(=O)O)c(c(c1Cl)Cl)Cl,non-mutagenic
+[O-][N+](=O)NC(=N)N(N=O)CCCC,mutagenic
+CCCON=O,mutagenic
+CN(S(=O)(=O)N(c1ccccc1)SC(Cl)(Cl)F)C,non-mutagenic
+OC1C2OC2C2=C(C1O)C=CC1C2c2cccc3c2c1ccc3,mutagenic
+O=C1OC(=O)c2c1c(Cl)c(c(c2Cl)Cl)Cl,non-mutagenic
+c1ccc2c(c1)ccc1c2c2CCCc2cc1,mutagenic
+NCCC#N,non-mutagenic
+Clc1cccc2c1c1ccccc1o2,non-mutagenic
+C[C@@H]1C=Cc2c1ccc1c2ccc2c1cccc2,mutagenic
+CCCCC,non-mutagenic
+Cc1cccc(c1)O,non-mutagenic
+CCCC(=O)OCc1ccccc1[N+](=O)[O-],non-mutagenic
+BrCc1ccccc1,mutagenic
+N#N=NCCC(C(=O)O)N,mutagenic
+ClCCN(c1c(OC)ccc2c1cc(o2)[N+](=O)[O-])CCCl,mutagenic
+CC(CCOC(=O)/C=C\c1ccccc1)C,non-mutagenic
+Clc1ccccc1C(F)(F)F,non-mutagenic
+NNS(=O)(=O)c1ccc(cc1)C,mutagenic
+FC(C(F)(F)F)F,non-mutagenic
+Cc1ccccc1S(=O)(=O)N,non-mutagenic
+Sc1ncc(c(n1)O)C,non-mutagenic
+[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])Cl,mutagenic
+c1cc2ccc3c4c2c(c1)ccc4cnc3,mutagenic
+ClC(=C1C(=O)NC(=O)C1(Cl)Cl)Cl,mutagenic
+c1ccc2c(c1)cc1c(c2)c2ncccc2cc1,mutagenic
+CC(N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C)C,mutagenic
+Cc1ccc(c(c1)C)N,mutagenic
+CN(N=O)C[C@@H](CO)O,mutagenic
+OC(c1cc(Cl)c(c(c1)C(F)(F)F)N)CNC(C)(C)C,non-mutagenic
+ClC1=C(Cl)C(=O)C(=C(C1=O)Cl)Cl,mutagenic
+C=CC(=O)OCC(COC(=O)C=C)(COC(=O)C=C)CC,mutagenic
+OC(=O)C1(C)CCCC2(C1CCC13C2CCC(C3)(C2(C1)OC2)O)C,non-mutagenic
+O[C@H]1C=Cc2c([C@@H]1O)ccc1-c3c4c(-c21)cccc4ccc3,mutagenic
+Cc1ccc2c(c1)C(C)C1C(=Nc3c1cccc3)N2C,mutagenic
+OC(=O)/C=C/c1ccc(cc1)Cl,non-mutagenic
+CCc1ccc(cc1)[N+](=O)[O-],non-mutagenic
+NC(=O)CCCCC(=O)N,non-mutagenic
+[O-][N+](=O)c1cccc2c1ccc1c2c(ccc1)[N+](=O)[O-],mutagenic
+CCCCOC(=O)c1ccccc1C(=O)OCCCC,non-mutagenic
+OC(=O)C1NCc2c(C1)c1ccccc1[nH]2,non-mutagenic
+NCC(=O)NCC(=O)NC(C(=O)NC(C(=O)O)CC(C)C)Cc1ccccc1,non-mutagenic
+NC(C(=O)O)CS/C(=C(/C(Cl)(Cl)Cl)\Cl)/Cl,mutagenic
+O=C(c1ccc(cc1)[N+](=O)[O-])ON(C(=O)c1ccccc1)OCc1ccccc1,mutagenic
+COc1cccc(c1)N,mutagenic
+CCCNC(=O)/C=C/c1ccc(o1)[N+](=O)[O-],mutagenic
+O=P1(OCc2c(O1)cccc2)Oc1ccccc1,mutagenic
+Cc1cc(ccc1N=Nc1c(O)c2c(O)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O)c1ccc(c(c1)C)N=Nc1c(O)c2c(O)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O,non-mutagenic
+O=Nc1ccc(cc1)N(C)C,mutagenic
+CN(N=Nc1ccc(cc1)Br)C,mutagenic
+CC(=C)C(=O)OC(C)(C)C,non-mutagenic
+CCc1ccccc1,non-mutagenic
+OCC1OC(C(C1O)O)n1c(O)nc2c1nc(N)nc2O,non-mutagenic
+Nc1ccc2-c3c(-c4c2c1ccc4)cccc3,mutagenic
+CNCc1ccc(o1)CSCCN=C(NS(=O)(=O)C)NC[C@@H](c1ccc(cc1)O)O,non-mutagenic
+N#Cc1cc(ccc1N)[N+](=O)[O-],mutagenic
+Nc1c(C)cccc1N,mutagenic
+CCOC(=O)C[C@@H](C(=O)OCC)SP(=S)(OC)OC,non-mutagenic
+Nc1cccc2c1nccc2,mutagenic
+Cc1ccc(c(c1)C)NC(=O)C(C(=O)C)N=Nc1ccc(cc1Cl)c1ccc(c(c1)Cl)N=NC(C(=O)Nc1ccc(cc1C)C)C(=O)C,non-mutagenic
+N#CCCNCCC#N,non-mutagenic
+O=CC(C)C,non-mutagenic
+Nc1sc2c(n1)cc(c(c2)Cl)Cl,non-mutagenic
+COc1ccc(cc1)C=C,non-mutagenic
+CCC(=O)OC1(C(C)CC2C1(C)CC(O)C1C2C(Cl)CC2=CC(=O)C=CC12C)C(=O)COC(=O)CC,non-mutagenic
+Clc1ccnc2c1cccc2,mutagenic
+COC1=CC(=O)c2c(C1=O)[nH]cc1-c2nc2c1cncc2,mutagenic
+ClCC1=C(Br)C(=O)OC1,mutagenic
+CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2,non-mutagenic
+COc1cc2Oc3c4c(CCN([C@H]4Cc4ccc(c(c4)Oc4ccc(C[C@H]5c2c(c1)CCN5C)cc4)OC)C)cc(c3OC)OC,mutagenic
+CN1CCN(CC1)c1ccc2c(c1)nc([nH]2)c1ccc2c(c1)nc([nH]2)c1ccc(cc1)O,non-mutagenic
+O=C1C(=O)C=C(c2c1cccc2)S(=O)(=O)O,mutagenic
+O=C(NS(=O)(=O)c1ccc(cc1)C)Nc1ncc(s1)[N+](=O)[O-],non-mutagenic
+NC(=N)S(=O)O,non-mutagenic
+[O-][N+](=O)c1ccc2c(c1C)cccc2,mutagenic
+CC(=O)ON(C(=O)c1ccccc1)OCc1ccc(cc1)Br,mutagenic
+CP1(C)NP(C)(C)NP(N1)(C)C,non-mutagenic
+C=CCOC(=O)COCCC(C)C,non-mutagenic
+Cl[C@@H]1[C@H](Cl)[C@H](Cl)[C@H]([C@H]([C@H]1Cl)Cl)Cl,non-mutagenic
+OC1C(O)C2OC2c2c1ccc1c2nc2c(c1)ccc1c2cccc1,mutagenic
+Oc1ccc2c(c1)CC[C@@H]1[C@H]2CC[C@]2([C@@H]1CC[C@@H]2O)C,non-mutagenic
+CC(Nc1nc(NC(C)C)nc(n1)Cl)C,non-mutagenic
+CNC(=O)CSP(=S)(OC)OC,mutagenic
+OCc1ccc(c2c1sc1ccccc1c2=O)NCC[N+](CC)(CC)[O-],mutagenic
+COc1cc2C(=O)CCc2c2c1c1ccccc1cc2C,mutagenic
+CCOc1ccccc1C(=O)N,non-mutagenic
+OS(=O)(=O)c1ccc2c(c1)ccc(c2)Oc1ccc2c(c1)ccc(c2)S(=O)(=O)O,non-mutagenic
+Clc1ccc(cc1)S(=O)C,non-mutagenic
+CCCCCCCC/C=C\CCCCCCCCN,mutagenic
+NCCCNCCCN,non-mutagenic
+NCCNCCO,mutagenic
+COC(=O)[C@@]12O[C@@]2(C)[C@](NC1=O)(O)C(C)C,mutagenic
+CCOS(=O)(=O)OCC,mutagenic
+COc1cc2Cc3cc(C)cc(c3C(=O)c2c(c1)O)O,mutagenic
+C#C[C@@]1(O)CC[C@@H]2[C@]1(CC)CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@H]12,non-mutagenic
+Cc1ccc(cc1)OC[C@@H]1OC1,mutagenic
+[O-][N+](=O)c1cc2ccccc2c2c1cc(cc2)[N+](=O)[O-],mutagenic
+O=C1C=C(C)C(=O)c2c1cccc2,mutagenic
+CCCCCCCCc1ccc(cc1)Nc1ccc(cc1)CCCCCCCC,non-mutagenic
+Clc1ccc(c(c1)[N+](=O)[O-])C,non-mutagenic
+O=C(c1ccc2c(c1)OCO2)[C@@H]1CO1,mutagenic
+CCCC(=O)OC1CCCCC1,non-mutagenic
+CC1Cc2c(C1=O)c1C(=C)CCC3C(c1c(c2O)C)C3(C)C,non-mutagenic
+COC(=O)C1c2cc3c(c(c2C(CC1(O)CC)OC1OC(C)C(C(C1)N(C)C)OC1CC(O)C(C(O1)C)O)O)C(=O)c1c(C3=O)c(O)ccc1O,mutagenic
+CCCCCCCCC=O,non-mutagenic
+OC(=O)C(CCS(=O)(=N)C)N,non-mutagenic
+CSCNc1ccccc1OC,mutagenic
+O=Cc1cccc(c1)Cl,non-mutagenic
+CCC1=C(c2ccc(cc2)O)C(c2c1ccc(c2)O)C,non-mutagenic
+CCCCCCCCn1sccc1=O,non-mutagenic
+CC(CCCC1(C)CCc2c(O1)c(C)c(c(c2C)OC(=O)C)C)CCCC(CCCC(C)C)C,non-mutagenic
+OC[C@H]1O[C@@H](Oc2cc(O)c(c(c2)O)C(=O)CCc2ccc(c(c2)O)OC)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O,non-mutagenic
+c1ccc2c(c1)cnnc2,non-mutagenic
+OS(=O)(=O)OCc1c2ccccc2c2c3c1ccc1c3c(cc2)ccc1,mutagenic
+O=CC(=O)c1ccccc1,mutagenic
+[O-][N+](=O)c1cc(ccc1O)c1ccc(c(c1)[N+](=O)[O-])O,non-mutagenic
+O=C(c1ccccc1)OCc1cccc(c1)[N+](=O)[O-],non-mutagenic
+N#C/C(=C\c1ccccc1Br)/C(=O)OC,non-mutagenic
+[O-][N+](=O)c1ccc2c(c1)oc1c2cc(cc1)[N+](=O)[O-],mutagenic
+[O-][N+](=O)c1cc(N=[N+](c2cc(cc(c2C)[N+](=O)[O-])[N+](=O)[O-])[O-])c(c(c1)[N+](=O)[O-])C,mutagenic
+C1NCCS1,mutagenic
+OCCc1cn(c2c1cccc2)N=O,mutagenic
+O=NN(Cc1cccc(c1)C)C,mutagenic
+OCC(CO)(C)C,non-mutagenic
+O=c1n(Cl)c(=O)[nH]c(=O)n1Cl,non-mutagenic
+N#C/C(=C\c1ccco1)/C(=O)OC,non-mutagenic
+COc1cc(c(c(c1)c1cc(OC)cc(c1O)C(C)(C)C)O)C(C)(C)C,non-mutagenic
+OC(=O)c1ccc(cc1)N,non-mutagenic
+COC(=O)Nc1cccc(c1)OC(=O)Nc1cccc(c1)C,mutagenic
+OC(=O)/C=C/c1ccccc1,non-mutagenic
+N#Cc1cccc(c1)[N+](=O)[O-],mutagenic
+COc1c(OC)cc2c3c1c1cc4OCOc4cc1cc3N(CC2)C,non-mutagenic
+N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C(c1ccc(cc1)Cl)C(C)C,non-mutagenic
+CCN(c1ccc(cc1)[N+](=O)[O-])CC,mutagenic
+CCCCON(C(=O)c1ccc(cc1)C(C)(C)C)OC(=O)C,mutagenic
+C/C(=C\C)/CCl,mutagenic
+COc1cc(ccc1O)CC1CO1,mutagenic
+OC1C2OC2c2c(C1O)ccc1c2cc2ccccc2c1C,mutagenic
+COCCO,non-mutagenic
+Fc1cc2ccccc2c2c1cccn2,mutagenic
+Cc1ccc2c3c1CCc3c1c(c2)c2ccccc2cc1,mutagenic
+N#Cc1ccc(cc1)C1(C)OC1,mutagenic
+OCCNc1ccc(c(c1)O)C,non-mutagenic
+O1Cc2c(C1)cccc2,mutagenic
+N#C/C(=C\C=C\c1ccccc1)/c1ccc(cc1)F,mutagenic
+COc1ccn(c(=O)n1)CC(CN=N#N)O,mutagenic
+S=C=Nc1ccc(cc1)Oc1ccc(cc1)[N+](=O)[O-],mutagenic
+CC(C(C)C)C,non-mutagenic
+c1ccc2c(c1)nc1c(c2)c2ccccc2c2c1cccc2,mutagenic
+OC[C@H]1O[C@H](C[C@@H]1O)n1cc(c(=O)[nH]c1=O)C(F)(F)F,mutagenic
+CNc1ccccc1,non-mutagenic
+O=C(C(=O)O)C(=O)O,non-mutagenic
+c1ccc2c(c1)c1ccc3c4c1c(c2)Cc4ccc3,mutagenic
+CC(=O)Oc1ccc2c(c1)OC1(C2(C)OO1)C,mutagenic
+CCOc1ccc(cc1[N+](=O)[O-])NC(=O)C,mutagenic
+C/C=C/1\C[C@H]2C[C@@H]1C=C2,non-mutagenic
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)c2c(c1)C=CCC2,mutagenic
+Nc1ncnc2c1nc(n2c1ccc(cc1)[N+](=O)[O-])c1ccc(cc1)[N+](=O)[O-],mutagenic
+ON=C1CCCCC1,mutagenic
+COC1=CC(=O)c2c(C1=O)[nH]cc1-c2nc2c1cccc2,mutagenic
+NC(=N)NNc1ccc(cc1)N=NC(=S)N,mutagenic
+CCc1c2ccc3c(c2cc2c1cccc2)cccc3,mutagenic
+Cc1cnc2c(n1)ccc1c2nc(n1C)N,mutagenic
+BrC(=C)C=O,mutagenic
+[O-][N+](=O)c1ccnc2c1cccc2,mutagenic
+Nc1nc2c(n1C)cc1c(n2)nccc1,non-mutagenic
+OC1C=CC2C34C1Oc1c4c(CC2N(CC3)C)ccc1O,non-mutagenic
+Oc1ccc2c(c1)c1c(cc2)[nH]c2c1c1ccccc1cc2,mutagenic
+CCCCCCCCCCO,non-mutagenic
+[O-][N+](=O)c1cc(ccc1c1ccccc1[N+](=O)[O-])[N+](=O)[O-],mutagenic
+Cc1cccc(c1)C(=O)Cl,mutagenic
+ClCCc1cn(C2CC(C(O2)CO)O)c(=O)[nH]c1=O,mutagenic
+Nc1cccc2c1snc2,mutagenic
+COc1c2ccccc2[n+](c2c1cco2)[O-],non-mutagenic
+COc1cc2O[C@H]3[C@H](c2c2c1c(=O)c1c(o2)cccc1O)C=CO3,mutagenic
+CCCCCCCCCCCCCCCCCC[N+](CCCCCCCCCCCCCCCCCC)(C)C,non-mutagenic
+OCC1OC(OC2C(O)CC3(C(C2(C)C(=O)O)CCC2(C3CC=C3C2(C)CCC2(C3CC(C)(C)CC2)C(=O)O)C)C)C(C(C1O)O)O,non-mutagenic
+O=C(Nc1ccc(cc1)Cl)CCC(=O)O,non-mutagenic
+OC(c1ccc(cc1)CCc1ccccc1)Cn1cncc1,non-mutagenic
+CCCCOP(=O)(OCCCC)OCCCC,non-mutagenic
+COC(=O)/C(=C/c1ccc(o1)Br)/C#N,non-mutagenic
+OCC(C(C(=O)NCCC(=O)O)O)(C)C,non-mutagenic
+ClCc1ccc2c3c1ccc1c3c(cc2)ccc1,mutagenic
+O[C@@H]1C=Cc2c([C@H]1O)cc1c3c2ccc2c3c(cc1)c(cc2)[N+](=O)[O-],mutagenic
+c1ccc2c(c1)nccn2,mutagenic
+N#CC1=Cc2c3c1cccc3ccc2,mutagenic
+CN1CCc2c3C1Cc1ccccc1-c3c1c(c2)OCO1,mutagenic
+C=C1CCC2CC1C2(C)C,non-mutagenic
+NC(=N)NS(=O)(=O)c1ccc(cc1)N,non-mutagenic
+CN(c1ccc(cc1)N=Nc1ccc(cc1)N(C)C)C,non-mutagenic
+CC(CCCC(C1CCC2C1(C)CCC1C2CC2C3(C1(C)CCC(C3)O)O2)C)C,mutagenic
+Nc1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])c1ccccc1,mutagenic
+OCCBr,mutagenic
+OOC1C=C2CC(O)CCC2(C2C1C1CCC(C1(C)CC2)C(CCCC(C)C)C)C,mutagenic
+CN(c1ccc(nn1)NN)C[C@H](O)C,mutagenic
+Oc1ccc(cc1)c1ccccc1,mutagenic
+CC(=O)/C=C\C1=C(C)CCCC1(C)C,non-mutagenic
+COc1cccc2c1C(=O)c1c(C2=O)c(O)c2c(c1O)[C@@H](O[C@@H]1O[C@@H](C)[C@@H]([C@H](C1)N(C)C)O)C[C@](C2)(O)C(=O)C,mutagenic
+COc1cc(ccc1N)[N+](=O)[O-],mutagenic
+C/C=C\1/C[C@H](C)[C@](O)(CO)C(=O)OCC2=CC[N@@+]3([C@H]2[C@H](OC1=O)CC3)[O-],non-mutagenic
+COC1(NC(=O)CSCC(C(=O)O)N)C(=O)N2C1SCC(=C2C(=O)O)CSc1nnnn1C,non-mutagenic
+O/N=C/C1N(CCCN(C)C)C=CN1C,non-mutagenic
+CC12OOC2(C)c2c(O1)ccc1c2cccc1,non-mutagenic
+CN(CCNC(=O)c1cccc2c1oc(n2)c1ccccc1)C,non-mutagenic
+OCCCCl,mutagenic
+OC(=O)COc1ccc(c(c1Cl)Cl)C(=O)c1cccs1,non-mutagenic
+CC(=O)OC[C@@H](CO)O,mutagenic
+COCC(=O)O,non-mutagenic
+O=Nc1c(O)ccc2c1cccc2,non-mutagenic
+Cc1c(N)cccc1N=Nc1cccc(c1C)N,mutagenic
+[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])O,non-mutagenic
+Clc1ccc(cc1)C(Cl)(Cl)Cl,mutagenic
+CC(=O)c1ccc([nH]1)[N+](=O)[O-],mutagenic
+Nc1ncnc2c1cnn2CC(CN=N#N)O,mutagenic
+NC(=O)c1cnccn1,non-mutagenic
+OC1C2OC2c2c(C1O)ccc1c2cccc1,mutagenic
+C=CC(=O)OCCOCCOCCOCCOC(=O)C=C,non-mutagenic
+O=C1CCC(=O)N1c1cc(Cl)c(c(c1)Cl)Cl,non-mutagenic
+CSc1cc(SC)c(c(c1N)C)N,mutagenic
+CCN(c1ccccc1)N,mutagenic
+CCOCCOCCOCC,non-mutagenic
+COP(=S)(Oc1ccccc1C(=O)OC(C)C)NC(C)C,non-mutagenic
+CC(OOC(C)(C)C)(C)C,non-mutagenic
+CC(=O)Nc1ccc(cc1)S(=O)(=O)c1ccc(cc1)NC(=O)C,non-mutagenic
+O[C@@H]1C=Cc2c([C@H]1O)ccc1c2cc(N)c2c1cccc2,mutagenic
+N/C(=N\OS(=O)(=O)O)/c1ccccc1,non-mutagenic
+ClCc1cc2cccc3c2c2c1cc1ccccc1c2cc3,mutagenic
+O[C@H]1CC(=C[C@H]([C@@H]1O)O)C(=O)O,non-mutagenic
+Cc1ccc2-c3c(C(c2c1)C)cc(cc3)C,non-mutagenic
+CC(=O)OC1Cc2c3c1cc1cccc4c1c3c(cc2)cc4,mutagenic
+CC(=O)Nc1ccc(cc1)N=Nc1cc(C)ccc1O,mutagenic
+CNC(=O)ONC(=O)NC,mutagenic
+O=S1(=O)CCCO1,mutagenic
+Nc1nc2c(n1C)ccc1c2cncc1,mutagenic
+ClC(C1=C(Cl)C(=O)OC1O)Br,mutagenic
+Cc1ccc(cc1)CN1C2C1c1ccccc1-c1c2cccc1,mutagenic
+Nc1ccc(cc1)Sc1ccccc1,mutagenic
+CC(=O)N(c1ccc2c(c1)cccc2)O,mutagenic
+[O-][N+](=O)c1ccc(o1)/C=C/C(=O)NC,mutagenic
+[O-][N+](=O)c1c2ccccc2c2c3c1ccc1c3c(cc2)ccc1[N+](=O)[O-],mutagenic
+[O-][N+](=O)c1ccc2c(c1)oc1c2cccc1,mutagenic
+CCCCCC(=O)N,non-mutagenic
+Cc1c(NC)ccc2c1nccn2,mutagenic
+O=C(c1ccccc1)/C=C/c1ccc(cc1)c1ccccc1,non-mutagenic
+Clc1cnc2c(c1C)cccc2,non-mutagenic
+O=C(C(F)(F)F)Nc1scc(n1)c1ccc(o1)[N+](=O)[O-],mutagenic
+CS(=O)(=O)OCCCCOS(=O)(=O)C,mutagenic
+O=C(NC(C)(C)C)/C=C/c1ccc(o1)[N+](=O)[O-],mutagenic
+CCOC[C@H]1CO1,mutagenic
+c1cc2ccc3c4c2c(c1)ccc4cc1c3C=C[C@@H]2[C@H]1O2,mutagenic
+Clc1ccc(cc1)S(=O)(=O)c1ccc(cc1)Cl,non-mutagenic
+COP(=O)(OC)OC,mutagenic
+OC1Cc2c3c1c(C)ccc3cc1c2ccc2c1cccc2,non-mutagenic
+ClC(C(=O)Nc1snc2c1cc(C)cc2)Cl,mutagenic
+ClCc1cccc(c1)CCl,non-mutagenic
+O=C(Nc1snc2c1cccc2)Nc1ccccc1,non-mutagenic
+CCC(c1cc(n2nc3c(n2)cccc3)c(c(c1)C(CC)(C)C)O)(C)C,non-mutagenic
+O1CCOCCOC2CCCCC2OCCOCCOCCOCCOC2C(OCCOCC1)CCCC2,non-mutagenic
+C/C=C/c1cc(OC)ccc1OC,non-mutagenic
+OC(=O)c1cc(N=Nc2ccc(cc2)S(=O)(=O)Nc2ccccn2)ccc1O,non-mutagenic
+n1ccc2c(c1)cnnc2,non-mutagenic
+CC/C=C/C,non-mutagenic
+Oc1ccc2c3c1ccc1c3c(cc2)cc2c1cccc2,mutagenic
+O=C(C(=C)C)OCCCCCCOC(=O)C(=C)C,non-mutagenic
+CC(=O)c1ccc2c(c1)cccc2,non-mutagenic
+ClCC(=O)c1ccccc1,non-mutagenic
+[O-][N+](=O)c1cccc2-c3c4c(-c12)cccc4c(cc3)[N+](=O)[O-],mutagenic
+O=C/C(=C(\C(=O)O)/Cl)/C(Cl)Cl,mutagenic
+Nc1cccc2c1c(O)nnc2O,non-mutagenic
+CCC(=O)Nc1snc2c1cc(C)cc2,non-mutagenic
+OCC1OC(C(C1O)O)n1cc(O)c(nc1=O)N,non-mutagenic
+Nc1ccc(c(c1)S(=O)(=O)O)/C=C\c1ccc(cc1S(=O)(=O)O)N,non-mutagenic
+COc1ccc(cc1)C(=C(c1ccc(cc1)OC)Cl)c1ccc(cc1)OC,non-mutagenic
+O=NN(C(=O)Oc1ccccc1OC(C)C)C,mutagenic
+Oc1ccc2c3c1-c1ccccc1-c3ccc2[N+](=O)[O-],mutagenic
+CC1=CC[C@H]2[C@H](C1)[C@@H](CC=C2C)C(C)C,non-mutagenic
+O=NN(c1ccccc1)C,mutagenic
+CN(CCNC(=O)c1cccc2c1nc(o2)c1ccccc1)C,non-mutagenic
+CCCC[C@H](COC(=O)c1ccc(c(c1)[N+](=O)[O-])N(C)C)CC,mutagenic
+O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(cc1)Cl,non-mutagenic
+ClCCNC(=O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N,mutagenic
+c1cc2ccc3c4c2c(c1)ccc4cc1c3occ1,mutagenic
+Nc1ccc(cc1)c1ccc(cc1)c1ccc(cc1)N,mutagenic
+COc1cc(ccc1O)c1oc2cc(O)cc(c2c(=O)c1O)O,non-mutagenic
+C[Si](O[Si](C)(C)C)(C)C,non-mutagenic
+CCCCCCCCCCCCCCCCCC(=O)N,non-mutagenic
+OC(=O)C1OC(Nc2nc3c(n2C)ccc2c3nc(C)cn2)C(C(C1O)O)O,non-mutagenic
+CC[Si](CC)(Cl)Cl,non-mutagenic
+Cc1ccc(cc1)S(=O)(=O)OCc1ccccc1,non-mutagenic
+[O-][N+](=O)c1cc(O)c(c(c1)[N+](=O)[O-])C,non-mutagenic
+CC(=O)Nc1ccc(cc1)OC(=O)c1ccccc1OC(=O)C,non-mutagenic
+COc1cc2OC3C(c2c2c1c1CCOC(=O)c1c(=O)o2)C=CO3,mutagenic
+CC(CCCC(C1CCC2C1(C)CCC1C2CC2C3(C1(C)CCC(C3)Cl)N2N1C(=O)c2c(C1=O)cccc2)C)C,non-mutagenic
+O=CN1CCc2c3c1cc1ccccc1c3c(c(c2)OC)OC,mutagenic
+C1CCCCCC2C(CCCC1)O2,non-mutagenic
+OCCc1ccc(cc1)N(C)C,mutagenic
+Oc1c2c(OC3C2CCO3)cc2c1c(=O)c1c(o2)cccc1O,non-mutagenic
+ClCCN(c1ccc(cc1)OCCCCCNc1c2ccccc2nc2c1cccc2)CC,mutagenic
+CC(=O)OCc1c2ccccc2cc2c1c1ccccc1cc2,mutagenic
+OC(=O)c1cc(O)c2c(n1)c(O)ccc2,non-mutagenic
+O=C1CCCN1C,non-mutagenic
+Oc1c(cccc1[N+](=O)[O-])[N+](=O)[O-],non-mutagenic
+N#CC(O)(C)C,non-mutagenic
+CC(C[C@H](N)C)C,non-mutagenic
+NCCc1c[nH]cn1,non-mutagenic
+CN(NC(=O)CCC(=O)O)C,non-mutagenic
+Oc1ccc2c(c1)cccc2O,mutagenic
+Cc1cc(ccc1N=Nc1ccc2c(c1O)c(N)c(cc2S(=O)(=O)O)S(=O)(=O)O)c1ccc(c(c1)C)N=Nc1ccc2c(c1O)c(N)c(cc2S(=O)(=O)O)S(=O)(=O)O,mutagenic
+O=CCCN(C(=O)OCC)N=O,mutagenic
+CCOC(C(=O)C(O)O)C,mutagenic
+CC(COC(=O)C=C)O,non-mutagenic
+OC1C=Cc2c(C1O)cc1c(c2Br)ccc2c1cccc2,non-mutagenic
+Oc1ccc(cc1)Nc1ccc2c(c1)cccc2,non-mutagenic
+COc1ccc(c(c1)N=Nc1c(O)ccc2c1cccc2)OC,mutagenic
+O[C@H]1CCCCCc2cc(O)cc(c2C(=O)O[C@H](CCC1)C)O,non-mutagenic
+[O-][N+](=O)c1cccc2c1c(ccc2)[N+](=O)[O-],mutagenic
+CCC#C[C@H]([C@@]1(CC=C)C(=O)NC(=O)N(C1=O)C)C,non-mutagenic
+CC(=O)ON(C(=O)c1ccccc1)OCc1ccc(cc1)C,mutagenic
+[O-][N+](=O)c1nc2c(n1C)ccc1c2cccn1,mutagenic
+CC(=O)Nc1ccc2-c3c(Cc2c1O)cccc3,non-mutagenic
+CSCCC(C(=O)O)NC(=O)COc1ccc(cc1Cl)Cl,non-mutagenic
+COc1ccc(cc1)C(=C(C#N)CCC(=O)O)c1ccc(cc1)OC,non-mutagenic
+COc1cc(ccc1OC)CC1CO1,mutagenic
+Cl/C(=C(\C(=C(Cl)Cl)Cl)/Cl)/SSc1ccccc1[N+](=O)[O-],mutagenic
+CC(=O)c1ccc2c(c1)CN1C(=N2)c2c(C1=O)cccc2,mutagenic
+O=C(N1CC(=O)N2[C@H](C1)c1ccccc1CC2)C1CCCCC1,non-mutagenic
+Fc1ccc2-c3c(C(c2c1)C)cc(cc3)F,mutagenic
+Nc1ccc2c(c1)c1ccccc1cc2,mutagenic
+CC(=O)ON(C(=O)c1ccccc1)OCc1ccc(cc1)c1ccccc1,mutagenic
+c1ccc(cc1)O[Si](Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1,non-mutagenic
+COc1ccc(cc1[N+](=O)[O-])c1oc2ccccc2c(=O)c1[N+](=O)[O-],mutagenic
+CCCOS(=O)(=O)C,mutagenic
+[O-][N+](=O)c1cccc(c1C)N,mutagenic
+Nc1cnc2c(c1)cccc2,mutagenic
+OC(=O)CCCCC1SCC2C1NC(=O)N2,non-mutagenic
+O=C(c1ccccc1)OOC(C)(C)C,mutagenic
+CC(=O)C1(CCNCC1)c1ccccc1,non-mutagenic
+NCCCCC(C(=O)NC(C(=O)NC(C(=O)O)CCCCN)Cc1c[nH]c2c1cccc2)N,non-mutagenic
+O=c1n(Cl)c(=O)n(c(=O)n1Cl)Cl,non-mutagenic
+CC1CN(C)C2C(C1)c1cc(Br)cc3c1c(C2)cn3CC1CC1,non-mutagenic
+Cn1cnc2c1ccc1c2cccn1,mutagenic
+Clc1ccc(cc1)CN1C2C1c1ccccc1-c1c2cccc1,mutagenic
+Nc1cc(ccc1c1ccc(cc1)[N+](=O)[O-])[N+](=O)[O-],mutagenic
+C=C,non-mutagenic
+Nc1ccc(cc1)c1nc2c(s1)c(c(cc2)C)S(=O)(=O)O,mutagenic
+OCN1[C@H](O)[C@H](N(C1=O)CO)O,mutagenic
+[O-][N+](=O)c1cccc(c1)c1ccc(c(c1)[N+](=O)[O-])O,mutagenic
+OC(=O)c1c(N)cccc1N,mutagenic
+Oc1ccc2c(c1)c1cc3ccccc3cc1c1c2cccc1,mutagenic
+Cc1ccc(cc1)Br,non-mutagenic
+CC(CN1CC(OC1=O)C)O,non-mutagenic
+CCNS(=O)(=O)c1ccccc1C,mutagenic
+Nc1ccc2c(c1N=Nc1ccccc1)cccc2,non-mutagenic
+Clc1ccc2c(c1)cccn2,mutagenic
+CC(=O)O[C@@H](c1ccc2c(c1)OCO2)[C@@H]1CO1,mutagenic
+CCCCOC(=O)C=C,non-mutagenic
+CCOP(=S)(Oc1nc(Cl)c(cc1Cl)Cl)OCC,non-mutagenic
+Oc1cc(O)c2c(c1)oc(=O)cc2C,non-mutagenic
+O=C1c2ccccc2C(=O)c2c1c(O)c(c(c2)O)C,mutagenic
+[O-][n+]1cnc2c(c1N)ncn2C(c1ccccc1)(c1ccccc1)c1ccccc1,mutagenic
+O=C1NC(=O)N(C1)/N=C/C=C/c1ccc(o1)[N+](=O)[O-],mutagenic
+ONc1ccc(cc1)Sc1ccccc1,mutagenic
+O1CCOCCOCCOCC1,non-mutagenic
+BrCc1c2ccccc2cc2c1cccc2,mutagenic
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)ccc1[N+](=O)[O-],mutagenic
+C=CC(=O)NCCCN(C)C,non-mutagenic
+Nc1cccc2c1c(N)c1c(n2)cccc1,mutagenic
+O=Nc1ccc2c3c1ccc1c3c(cc2)c(cc1)[N+](=O)[O-],mutagenic
+Nc1ccc(cc1)[N+](=O)[O-],mutagenic
+COc1ccccc1NC(=O)C(C(=O)C)N=Nc1ccc(cc1Cl)c1ccc(c(c1)Cl)N=NC(C(=O)Nc1ccccc1OC)C(=O)C,non-mutagenic
+Clc1cccc(c1)Cl,non-mutagenic
+CCc1c2ccccc2cc2c1c1ccccc1cc2,non-mutagenic
+CC(=O)NCCc1ccc(c(c1)c1c(O)c(O)c2c(c1O)C(=O)c1c(C2=O)cc(c(c1C(=O)O)C(=O)O)O)O,non-mutagenic
+Nc1ccc(cc1O)c1ccc(c(c1)O)N,mutagenic
+CS(=O)(=O)OC1CN(C1)C(c1ccccc1)c1ccccc1,mutagenic
+NCCS,non-mutagenic
+CN(c1ccc(cc1)N=Nc1ccc(cc1)N(C(=O)C)C)C(=O)C,non-mutagenic
+C[n+]1c2ccccc2nc2c1cccc2,mutagenic
+O=NC([N+](=O)[O-])(C)C,mutagenic
+C1CCCCNC1,non-mutagenic
+Cc1cccc(c1)Br,non-mutagenic
+Clc1ccc(c(c1)Cc1ccccc1)O,non-mutagenic
+COc1ccc(cc1)N,mutagenic
+ClCCN(C(=O)N[C@@H](P(=O)(OCC)OCC)C)N=O,mutagenic
+[O-][N+](=O)c1ccc2c(c1)c1cccc(c1[nH]2)[N+](=O)[O-],mutagenic
+OC(=O)[C@H](O)C,non-mutagenic
+OC(=O)c1ccc(cc1)/C=N/n1nnc2-c(c1O)nc1c2cccc1,mutagenic
+CCCCCCCCCCCCCCCCCC1=NCCN1CCO,non-mutagenic
+Nc1cccc(c1)c1ccccc1,mutagenic
+ONC(=O)c1ccccc1,mutagenic
+NCCN1CCNCC1,non-mutagenic
+ClCCN(c1ccc(cc1)C)CCCl,non-mutagenic
+OC1C=Cc2c(C1O)c1ccccc1c1c2cc2ccccc2c1,mutagenic
+COC(=O)c1cc2c([nH]1)c1ncccc1cc2,non-mutagenic
+[O-][N+](=O)c1ccc2c3c1c1CCCCc1c1c3c(cc2)ccc1,mutagenic
+Clc1cc(Cl)c(c(c1Cl)Cl)Cl,non-mutagenic
+Oc1ccc(cc1)C(=O)N/N=C/c1ccc(o1)[N+](=O)[O-],mutagenic
+CC(=O)Nc1ccc(c(c1)N=[N+](c1cc(ccc1C)NC(=O)C)[O-])C,non-mutagenic
+O=C1O[C@H]2CCN3[C@@H]2C(=CC3)COC(=O)[C@]([C@]([C@H]1C)(C)O)(C)O,non-mutagenic
+O=Nc1ccc(cc1)Oc1ccc(cc1)NC(=O)C,mutagenic
+ClCC[N+](CCCl)(C)[O-],mutagenic
+Cc1ccc2c(c1)nn[nH]2,non-mutagenic
+ONc1cc(NO)c(c(c1)[N+](=O)[O-])C,mutagenic
+CCOC(=O)c1[nH]c2c(c1/N=C/c1ccc(cc1)C)cccc2,non-mutagenic
+c1ccc2-c3cc4ccc5c(c4cc3C3C(c2c1)N3)cccc5,mutagenic
+COC(=O)C1OC1c1ccccc1,mutagenic
+CN(C1CCCCC1)C,non-mutagenic
+CC(C(=O)Nc1ccccc1)Br,mutagenic
+OC(=O)C1CSC(N1C(=O)CCSSCCC(=O)N1C(CSC1c1ccccc1O)C(=O)O)c1ccccc1O,non-mutagenic
+O=C([C@H]1CN(C)[C@@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@@]1(C)O[C@]2(N(C1=O)[C@H](Cc1ccccc1)C(=O)N1[C@@H]2CCC1)O,non-mutagenic
+[O-][N+](=O)c1ccc2-c3c(Cc2c1)cccc3,mutagenic
+O=C1C(O)CC(N1C)c1cccnc1,non-mutagenic
+CC(=O)Nc1ccc(cc1)C(=O)/C=C/c1ccccc1,non-mutagenic
+[O-][N+](=O)c1ccc2-c3c(-c4c2c1ccc4)cccc3,mutagenic
+CCCCCCCCC,non-mutagenic
+CCN(C(=S)SSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)CC,non-mutagenic
+CC(=O)Oc1ccc(cc1)C(c1ccccn1)c1ccc(cc1)OC(=O)C,non-mutagenic
+Cc1ccc(c(c1)S(=O)(=O)O)N=Nc1c(O)ccc2c1cccc2,non-mutagenic
+CNCCN(c1ccccn1)Cc1ccc(cc1)OC,non-mutagenic
+CCCO/C=C/C=C/C=C/C=C/C=C/CC,mutagenic
+[O-][N+](=O)c1nccn1C[C@H](COC)O,mutagenic
+CCCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCCCC,non-mutagenic
+CC/C=C/C=C/C=C/C=C/C=C/OCC(CO)O,mutagenic
+CC(=C)C(Cl)C,mutagenic
+COc1c(C(=O)O)c(O)nc2c1cccc2,non-mutagenic
+CC(Cc1ccccc1)N,non-mutagenic
+O=C1CCC(=O)O1,non-mutagenic
+[O-][N+](=Nc1ccccc1)c1ccccc1,mutagenic
+COC(=O)[C@@H]1c2cc3c(c(c2[C@H](C[C@]1(O)CC)O[C@@H]1O[C@@H](C)[C@H]([C@H](C1)N(C)C)O[C@H]1C[C@H](O)[C@@H]([C@@H](O1)C)O[C@@H]1O[C@@H](C)C(=CC1=N)O)O)C(=O)c1c(C3=O)c(O)ccc1O,mutagenic
+O=C(/C=C/c1ccc(o1)[N+](=O)[O-])NCC(C)(C)C,mutagenic
+Cc1cccc2c1cccc2,non-mutagenic
+CCOC(=O)C(CS)N,mutagenic
+C1=C[C@H]2[C@@H](O1)Oc1c2cccc1,mutagenic
+ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)(Cl)Cl,non-mutagenic
+CS(=O)(=O)Nc1ccc(cc1)Nc1c2ccccc2nc2c1cccc2,mutagenic
+NC(=S)N,non-mutagenic
+Clc1ccc(c(c1)N)N,mutagenic
+COc1c(OC)ccc2c1cc1N(C)CCc3c1c2c1OCOc1c3,mutagenic
+OCCOc1cc(O)c2c(c1)oc(c(c2=O)O)c1ccc(c(c1)OCCO)OCCO,non-mutagenic
+O=Nc1ccc(cc1)c1ccccc1,mutagenic
+C=CCN(CC=C)CC=C,non-mutagenic
+ClC(=O)C(Cl)Cl,mutagenic
+COc1cc(OC)c2c(c1)oc1c(c2=O)cc(cc1)OC,mutagenic
+CC(=O)c1ccccn1,non-mutagenic
+O=C(c1ccccc1)N(OC(=O)C)OCc1ccc(cc1)[N+](=O)[O-],mutagenic
+Nc1cc(N)c(cc1N=Nc1ccc(cc1)S(=O)(=O)N)N=Nc1ccc(cc1)S(=O)(=O)N,mutagenic
+CC(C(=O)OC)CN=N#N,mutagenic
+c1ccc2c(c1)ccc1c2cc([C@H]2OC2)c2c1cccc2,mutagenic
+O=NN1CCCCC1,mutagenic
+CSCCC(=O)N1C(CSC1c1ccccc1O)C(=O)O,non-mutagenic
+ClCCN(c1ccc2c(c1)ccc1c2cc(o1)[N+](=O)[O-])CCCl,mutagenic
+N#N=NCC1OC(O)C(C(C1O)O)O,mutagenic
+FC(OC(C(F)(F)F)Cl)F,non-mutagenic
+Nc1ccc(cc1)S(=O)(=O)O,non-mutagenic
+Clc1ccc(cc1)S(=O)(=O)n1ncc(c(c1=O)Cl)Cl,non-mutagenic
+CCCCCCCCCc1ccc(cc1)O,non-mutagenic
+O=NN1CCc2c(C1)cc(c(c2)OC)OC,mutagenic
+C/C=C/C(=O)OC1CC2C3(C1(C)C1(C)CC(=O)C(=CC1O2)C)CO3,non-mutagenic
+CC(=O)c1oc(c(c1c1ccccc1)c1ccccc1)[N+](=O)[O-],mutagenic
+OC1CC2(C)C(C(C1O)(C)C(=O)O)CCC1(C2CC=C2C1(C)CCC1(C2CC(C)(C)CC1)C(=O)O)C,non-mutagenic
+COc1ccc2c(c1)c(=O)c1c(o2)cc(cc1O)O,mutagenic
+CC/C(=C(\c1ccc(cc1)OC(=O)CC)/CC)/c1ccc(cc1)OC(=O)CC,non-mutagenic
+NC(=O)/C=C/c1ccc(o1)[N+](=O)[O-],mutagenic
+OC1CCN(CC1)c1c(F)cc2c3c1CCC(n3cc(c2=O)C(=O)O)C,non-mutagenic
+C/C(=C/CC/C=C(\CC/C=C(\CCC=C(C)C)/C)/C)/CC/C=C(\CCC=C(C)C)/C,non-mutagenic
+CN(c1c(C)n(n(c1=O)c1ccccc1)C)C,mutagenic
+C/C(=N/O)/CC,mutagenic
+Nc1nc2c(s1)cccc2,non-mutagenic
+CCCCOO,mutagenic
+COc1cc(ccc1O)c1nc(c([nH]1)c1ccccc1)c1ccccc1,mutagenic
+Nc1nc(N)c2c(n1)nc(c(n2)c1ccccc1)N,non-mutagenic
+c1ccc2c(-c3ccccc3C3C2O3)c1,mutagenic
+OC[C@@H]1O[C@@H]1[C@@]12O[C@H]2[C@@]2(C(=CC1=O)CC[C@H]([C@H]2C)O)C,mutagenic
+BrCCOC(=O)C(=O)OCCBr,mutagenic
+Oc1cc2O[C@H]3[C@H](c2c2c1c(=O)c1c(o2)cccc1O)C=CO3,mutagenic
+C[n+]1ccc(cc1)c1ccccc1,non-mutagenic
+Brc1cc(Br)c(c(c1)Br)O,non-mutagenic
+COC(=O)c1cc(OC)c2c(c1c1c(cc(c3c1OCO3)OC)C(=O)OC)OCO2,non-mutagenic
+[O-][N+](=O)c1ccc2c(c1)c(/C=N/OCc1cccc(c1)[N+](=O)[O-])c(n2Cc1ccccc1)C,mutagenic
+Cc1cc2c3c4c1cccc4ccc3cc1c2cccc1,mutagenic
+C1CN2CCN1CC2,non-mutagenic
+COc1cc(/C=C/C(=O)CC(=O)/C=C/c2ccc(c(c2)OC)O)ccc1O,non-mutagenic
+Nc1ccc2c(c1)nc(c(n2)C)C,mutagenic
+Cl[C@H]1C=C[C@@H]2[C@@H]1[C@@]1(Cl)C(=C([C@@]2(C1(Cl)Cl)Cl)Cl)Cl,non-mutagenic
+O=C(c1cccc(c1)[N+](=O)[O-])/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)c1cccc(c1)[N+](=O)[O-],mutagenic
+Nc1ccc(c(c1)N)N=Nc1ccccc1,mutagenic
+OC[C@H](O)C,non-mutagenic
+CCC(COC(=O)c1ccccc1C(=O)O)CCCC(=O)O,non-mutagenic
+Cl/C=C(/SCC(C(=O)O)NC(=O)C)\Cl,mutagenic
+C=CC(=O)OCC(C)C,non-mutagenic
+CCc1ccc(cc1)/C=C/c1ccc(cc1)[N+](=O)[O-],mutagenic
+Nc1c(cccc1[N+](=O)[O-])[N+](=O)[O-],mutagenic
+OC(=O)C(Cl)(Cl)C,non-mutagenic
+ClC(SN1C(=O)c2c(C1=O)cccc2)(Cl)Cl,mutagenic
+CN(CCOC(c1ccccc1)c1ccccc1)C,non-mutagenic
+C1=Cc2c(C1)ccc1c2ccc2c1cccc2,mutagenic
+CC(=O)OCc1c2ccccc2cc2c1cccc2,mutagenic
+COCCOC(=O)C=C,non-mutagenic
+OCc1ccccc1N=Nc1ccc(cc1)N(C)C,mutagenic
+OCC=C,non-mutagenic
+Clc1c(O)cc(c(c1Cl)Cl)Cl,non-mutagenic
+CC(=O)Nc1ccc(cc1)S(=O)(=O)Cl,non-mutagenic
+Nc1ccc(c(c1C)N)N=Nc1ccccc1,mutagenic
+BrCCCCCBr,mutagenic
+CCN,non-mutagenic
+OCCCl,mutagenic
+CCCCCCCCCCCCO,non-mutagenic
+O=C1C=Cc2c3c1ccc1c3c(cc2)C(=O)C=C1,mutagenic
+BrC1=C(Br)C(=O)OC1,mutagenic
+Clc1cc(Cl)c(c(c1)Cl)N,non-mutagenic
+c1ccc2c(c1)c1c3ccccc3c3c4c1c(c2)ccc4ccc3,mutagenic
+CC(CNCC(C)C)C,non-mutagenic
+COc1ccc2c(-c3nccc4c3c(C2=O)c(O)c(c4)OC)c1,mutagenic
+Nc1n[nH]cn1,non-mutagenic
+CCOC(=O)CNC(=O)C(Br)C,mutagenic
+NCCCS(=O)(=O)Nc1ccc(cc1)Nc1c2cc(N=N#N)ccc2nc2c1ccc(c2)N=N#N,mutagenic
+ClCc1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-],mutagenic
+OC[C@@H]1O[C@H](O[C@H]([C@@H](C(=O)N[C@H]([C@H]([C@H](C(=O)N[C@H](C(=O)NCCc2scc(n2)c2scc(n2)C(=O)NCCCN[C@@H](c2ccccc2)C)[C@H](O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)c2nc[nH]c2)[C@H]([C@@H]([C@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)OC(=O)N)O,mutagenic
+CCCCOC(=O)c1ccccc1N,non-mutagenic
+CCc1c2ccc3c(c2c(c2c1cccc2)C)cccc3,non-mutagenic
+c1ccc2c(c1)C1=C3OC3=C3C1C(=c1ccccc1=C3)C2,mutagenic
+CCCCCOC(=O)C=C,non-mutagenic
+CC(OS(=O)(=O)C)C,mutagenic
+Cc1c2ccccc2cc2c1c1ccccc1cc2,mutagenic
+O=C1c2ccc3c(c2-c2c1ccc1c2cccc1)cccc3,mutagenic
+OS(=O)(=O)CNc1ccc(cc1)N=Nc1cccnc1,non-mutagenic
+Nc1cc2c(cc1C)nc1c([n+]2c2ccccc2)cc(c(c1)C)N,mutagenic
+CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C,non-mutagenic
+COC(=C1C(=NC(=C([C@H]1c1cccc(c1Cl)Cl)C(=O)OC(C)C)COC(=O)N)C)O,non-mutagenic
+BrCc1c2ccc3c(c2c(c2c1cccc2)C)cccc3,mutagenic
+c1cc(/C=C/c2ccccc2)cc(c1)/C=C/c1ccccc1,non-mutagenic
+[O-][N+](=O)c1ccc2c(c1)c1ccccc1cc2,mutagenic
+Nc1cnc2c(c1C)nc1n2cccc1C,mutagenic
+O=C(NC(=O)c1c(F)cccc1F)Nc1cc(Cl)c(c(c1)Cl)Oc1ncc(cc1Cl)C(F)(F)F,non-mutagenic
+CCCCCCCCCCCCOC[C@@H]1OC1,non-mutagenic
+CN1C2=Nc3c(C2C(c2c1cccc2)C)cccc3,mutagenic
+Cc1cc2ccccc2c2c1c1ccccc1cc2,mutagenic
+Clc1cc(Cl)c(c(c1)S(=O)c1cc(Cl)cc(c1O)Cl)O,mutagenic
+O=C1C=C(C(=O)C(=C1)C1=CC(=O)C=C(C1=O)C(C)(C)C)C(C)(C)C,mutagenic
+OC(=O)Cc1ccccc1Cl,non-mutagenic
+C=CCCC(C=O)CC,non-mutagenic
+Nc1cnn(c(=O)c1Cl)c1ccccc1,non-mutagenic mutagenic
+COc1cccc2c1C(=O)c1c(C2=O)c(O)c2c(c1O)C(OC1CC(N)C(C(O1)C)O)CC(C2)(O)C(=O)C,mutagenic
+c1ccc2c(-c3ccccc3C3C2N3)c1,mutagenic
+c1ccc2c(c1)cc1c3c2[C@H]2O[C@H]2c3cc2c1cccc2,mutagenic
+C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@@H](c1ccnc2c1cc(OC)cc2)O,non-mutagenic
+CC(C(=O)NCc1ccc(cc1)Cl)Br,mutagenic
+NNC(=O)CNc1ccc2c(c1)cccc2,non-mutagenic
+[O-][N+](=O)c1cc2ccc3c4c2c(c1)ccc4cc1c3cccc1,mutagenic
+O=C(C1(C)OC1)Nc1ccccc1,mutagenic
+Oc1ccnc(n1)O,non-mutagenic
+COC(=O)C1O/C(=N\O)/C(=C1Cl)Cl,non-mutagenic
+OCC(C(CO)O)NC(=O)C1CC([N+](=O)C1(C)C)(C)C,non-mutagenic
+N#N=NCC(Cn1cnc2c1ncnc2N)O,mutagenic
+ClCCN(c1ccc(cc1)OCC(=O)O)CCCl,mutagenic
+OC(=O)c1occc(=O)c1O,non-mutagenic
+[O-][N+](=O)c1c(C)cccc1[N+](=O)[O-],mutagenic
+CC(=O)Oc1ccc2c(c1)C1(C)OOC1(O2)C,mutagenic
+CCCCCN(C(=O)C(NC(=O)c1ccc(c(c1)Cl)Cl)CCC(=O)O)CCCOC,non-mutagenic
+C=CC(=O)c1ccc2c(c1)OCO2,non-mutagenic
+OCC1(O)C[C@@]23CC1CCC3[C@]1(C(CC2)c2ccoc2CC1)C,non-mutagenic
+COc1c2c(CC=C(C)C)c3OCOc3c(c2nc2c1cco2)O,non-mutagenic
+O/N=C/c1ccncc1,non-mutagenic
+C=C/C/1=C/C(C)C(C)(OC(=O)C)C(=O)OCC2=CC[N+]3(C2(C(OC1=O)CC3)O)C,mutagenic
+CCCNCCC,non-mutagenic
+O=C(N[C@@H](C(=O)NCC(=O)O)CSc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])CC[C@H](C(=O)O)N,mutagenic
+CCN(c1ccc2c(c1)[o+]c1c(n2)ccc(c1)N(CC)CC)CC,mutagenic
+ClCCN(c1ccc(c2c1cc(o2)[N+](=O)[O-])OC)CCCl,mutagenic
+CCCCCCCCON(C(=O)c1ccccc1)OC(=O)C,mutagenic
+COc1cc2OC3C(c2c2c1c(=O)c1c(o2)cccc1O)CCO3,non-mutagenic
+Nc1ccc(cc1)c1ccc(cc1)N,mutagenic
+Cc1ccc(o1)C,non-mutagenic
+CCCCCN(CCCC)N=O,mutagenic
+ONc1cnc2c(c1C)nc1n2cccc1C,mutagenic
+C[C@@H]1OC(=O)c2c(C1)c(Cl)cc(c2O)C(=O)N[C@@H](C(=O)O)Cc1ccccc1,non-mutagenic
+N1C2C1c1cscc1-c1c2csc1,mutagenic
+Clc1ccc(cc1)CC[C@@H]1OC1,mutagenic
+Cc1ccc(c(c1)C(=O)O)/N=C/c1cccc2c1nccc2,non-mutagenic
+CN(c1ccccc1)C,non-mutagenic
+c1ccc2c(n1)cnnc2,non-mutagenic
+OCC(=O)CO,mutagenic
+OC(=O)c1ccc(cc1)C(=O)O,non-mutagenic
+[O-][N+](=O)c1ccc2c(c1)c1ccccc1o2,mutagenic
+CN(c1ccc2c(c1)nc1c(n2)cc(c(c1)N)C)C,mutagenic
+COc1cccc2-c3c(C(Cc12)[N+](=O)[O-])ccc1c3OCO1,mutagenic
+O=Cc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],mutagenic
+CCN(c1ccc(cc1)[N+]#N)CC,mutagenic
+[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])C,mutagenic
+CCNc1nc(NC(C)C)nc(n1)Cl,non-mutagenic
+COc1nncc2c1cncc2,non-mutagenic
+OC(=O)[C@H](Cc1ccc(c(c1)[N+](=O)[O-])O)N,non-mutagenic
+O=NN(c1cccnc1)C,non-mutagenic
+CC(Nc1ccc(cc1)Nc1ccccc1)C,non-mutagenic
+OC1C=Cc2c(C1O)ccc1c2cc2C(O)C(O)c3c(-c2c1)cccc3,non-mutagenic
+ON1C(C)(C)CC(C1(C)C)C(=O)N,non-mutagenic
+[O-][N+](=O)c1ccc2c(c1)ccc1c2cc(cc1)[N+](=O)[O-],mutagenic
+ClC(C(Cl)(Cl)Cl)COCC(C(Cl)(Cl)Cl)Cl,mutagenic
+O=C(c1ccccc1)/C=C/c1ccc(cc1)[N+](=O)[O-],mutagenic
+c1cc2ccc3c4c2c(c1)cnc4ccc3,mutagenic
+OCc1cc2ccccc2c2c1c1ccccc1cc2,mutagenic
+[O-][N+](=O)c1ccc2c(c1)c(/C=N/OCc1ccccc1)c(n2Cc1cccc(c1)[N+](=O)[O-])C,mutagenic
+c1cc(cc(c1)c1ccccc1)c1ccccc1,non-mutagenic
+NCCNCC,non-mutagenic
+Cc1c2ccccc2c(c2c1cccc2)COS(=O)(=O)O,mutagenic
+c1ccc2c(n1)c1c(cc2)CCC2C1O2,mutagenic
+CN(CCN(c1ccccc1)Cc1ccccc1)C,non-mutagenic
+CCCCCCCCCCCCCCCCCCO,non-mutagenic
+COc1ccc(cc1N)c1oc2ccccc2c(=O)c1N,mutagenic
+Oc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)c2c(c1)O[C@@H]1[C@H]2C=CO1,mutagenic
+CSCNc1ccccc1C(=O)C,non-mutagenic
+OC[C@H]1O[C@@H](Oc2cc3ccc(=O)oc3cc2O)[C@@H]([C@H]([C@@H]1O)O)O,non-mutagenic
+Nc1ccc2c(c1)C(=O)c1c(C2=O)cccc1,mutagenic
+Oc1ccc(cc1N)S(=O)(=O)C,non-mutagenic
+C/C(=C\C(=O)OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CCC2=CC(=O)C=CC12C)/CC/C=C(/CCC=C(C)C)\C,non-mutagenic
+COc1ccc(cc1)[C@H]1O[C@@H]1C(=O)c1ccccc1,mutagenic
+[O-][N+](=O)c1ccccc1C(F)(F)F,non-mutagenic
+Fc1ccc(c2c1nccc2)F,mutagenic
+CCN(CCn1nc2-c3ccc(cc3Sc3c2c1ccc3CO)Cl)CC,mutagenic
+[O-][n+]1c2ccc3c4c2c(c2c1cccc2)ccc4ccc3,mutagenic
+CN1C=CN(C1/C=N/O)CCOCC#C,non-mutagenic
+CC(=O)OCc1c2cccc3c2c2c4c1ccc1c4c(cc2cc3)ccc1,mutagenic
+CC(=O)N/N=C/C1=CN(O)c2c(N1O)cccc2,mutagenic
+Cl[C@@H]1CN(C[C@H]1Cl)N=O,mutagenic
+Nc1cccc2c1cccc2N,mutagenic
+OCC(C(=O)NNCc1ccc(c(c1O)O)O)N,mutagenic
+O=Nc1ccccc1C,mutagenic
+Oc1cccc(c1)/C=N/c1snc2c1cccc2,mutagenic
+Cc1ccc(cc1)c1nc2c(o1)cccc2,non-mutagenic
+CNc1ccc2c(c1N)cccn2,non-mutagenic
+ONc1ccc(cc1)[N+](=O)[O-],mutagenic
+CC(=O)Nc1ccc(cc1)N,mutagenic
+Clc1c2ccccc2cc2c1cccc2,mutagenic
+CCCCOC[C@H]1CO1,mutagenic
+CCN(C(=O)N(c1ccccc1)CC)c1ccccc1,non-mutagenic
+Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C,non-mutagenic
+O=C1CC2CCC3C(C2(CC1C)C)CCC1(C3CCC1O)C,non-mutagenic
+CC[C@H](N)C,non-mutagenic
+CCC(c1cccc(c1)OC(=O)N(N=O)C)CC,mutagenic
+CC(=O)c1cc(ccc1N)Cc1ccc(c(c1)C(=O)C)N,mutagenic
+Clc1cc(Sc2cc(Cl)cc(c2O)Cl)c(c(c1)Cl)O,non-mutagenic
+CCCCN(CCC)N=O,mutagenic
+O=Nc1nccn1C,mutagenic
+c1cnc2c(c1)C1OC1C=C2,non-mutagenic
+COc1ccc2-c3ccccc3C(=O)c3c2c1ccc3,mutagenic
+CCN(c1ccc(cc1)N=Nc1ccc(cc1C#N)[N+](=O)[O-])CC,mutagenic
+OCC1OC(OC2C(OC3C(O)C(O)C(C(C3N=C(N)N)O)N=C(N)N)OC(C2(O)C=O)C)C(C(C1O)O)NC,mutagenic
+Nc1ccc2c(c1)oc(=O)cc2C,non-mutagenic
+CC(=O)N(c1ccc2c3c1ccc1c3c(cc2)ccc1)O,mutagenic
+O=C(C1CSC(C(=O)N1)C)NC(C(=O)N1CCCC1C(=O)N)Cc1c[nH]cn1,non-mutagenic
+CC(=O)Nc1ccc(cc1)c1ccc(cc1)N,mutagenic
+NC(=NC(=N)N)NCCc1ccccc1,non-mutagenic
+Cc1c2C3OC3c3c(-c2cc2c1cccc2)cccc3,mutagenic
+OC1C=Cc2c(C1O)c1cc3ccccc3cc1c1c2cccc1,mutagenic
+CCCC[C@H](COC(=O)CCCCCCCCC(=O)OC[C@@H](CCCC)CC)CC,non-mutagenic
+Cc1ccc(c2c1n(C)c1c2cccc1)C,mutagenic
+O1C[C@H]1c1ccc(cc1)c1ccccc1,mutagenic
+CC1=C(C)C(=O)C(=C(C1=O)C)C,non-mutagenic
+Cc1ccc(cc1)C,non-mutagenic
+O=C1CN=C(c2c(N1)ccc(c2)[N+](=O)[O-])c1ccccc1,non-mutagenic
+ClCc1c2ccc3c(c2cc2c1cccc2)cccc3,mutagenic
+COc1cc(ccc1O)C(=O)C,non-mutagenic
+Cc1ccc(c(c1)O)C,non-mutagenic
+ClCc1c2ccc3c(c2c(c2c1cccc2)C)cccc3,mutagenic
+CCc1cc(cc(c1N)CC)c1ccccc1,non-mutagenic
+CC1=CC2CCCCC2c2c1cccc2,mutagenic
+OC1C2OC2c2c(C1O)ccc1c2cc(C)c2c1cccc2,non-mutagenic
+CCCO,non-mutagenic
+COc1cc(O)c2c(c1)oc1c(c2=O)c(O)ccc1O,mutagenic
+Nc1cccc(c1)[N+](=O)[O-],mutagenic
+Cc1ccc2c3c1ccc1c3c(cc2)c2c(c1)cccc2,mutagenic
+COc1cc(/C=C/C(=O)OC2CCC34C(C2(C)C)CCC2C4(C3)CCC3(C2(C)CCC3C(CCC=C(C)C)C)C)ccc1O,non-mutagenic
+CC(=O)OC1Cc2c3c1c1ccc4c(c1cc3ccc2C)cccc4,mutagenic
+OC[C@H]1O[C@@H](O[C@H]([C@H](C(=O)N[C@@H]([C@@H]([C@@H](C(=O)N[C@H](C(=O)NCCc2scc(n2)c2scc(n2)C(=O)NCCCCN=C(N)N)[C@H](O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)[C@H](CC(=O)N)NC[C@H](C(=O)N)N)c2nc[nH]c2)[C@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)OC(=O)N)O,mutagenic
+CCOC(=O)CNC(=O)CCCCSc1[nH]cnc2-c1ncn2,non-mutagenic
+CCCCCCCCCCCCCC[C@@H]1OC1,non-mutagenic
+[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])F,mutagenic
+[O-][N+](=O)c1cc2c(cc1)ncn2C,mutagenic
+O=NN1CC[C@@H]([C@H](C1)Br)Br,mutagenic
+CCC(=O)Nc1snc2c1cccc2,non-mutagenic
+CCN(Cc1cc(ccc1O)Nc1ccnc2c1ccc(c2)Cl)CC,non-mutagenic
+O[C@H]1[C@@H](O[C@@H]([C@H]([C@@H]1O)O)C)Oc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1)C,mutagenic
+ClC(Cl)Cl,non-mutagenic
+COc1ccc(cc1)CNC(=O)C(Br)C,mutagenic
+CNC1CCc2c(-c3c1cc(=O)c(cc3)OC)c(OC)c(c(c2)OC)OC,non-mutagenic
+Clc1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl,non-mutagenic
+O=NN1CCOC(C1)O,mutagenic
+O=C1CCC(=O)N1c1ccc(cc1)Cl,non-mutagenic
+Clc1ccc(cc1)C(=O)ON(C(=O)c1ccccc1)OCc1ccccc1,mutagenic
+O=C1c2cc(ccc2C(=O)c2c1cccc2[N+](=O)[O-])S(=O)(=O)O,mutagenic
+C#CC(c1ccccc1)(c1ccccc1)OC(=O)NC1CCCCC1,mutagenic
+ClCc1c2ccccc2c(c2c1cccc2)CCl,mutagenic
+O=NN1C[C@H](C)N([C@@H](C1)C)N=O,mutagenic
+[O-][N+](=O)c1cccc(c1)C(F)(F)F,non-mutagenic
+OC1COC(C(C1O)O)NCCc1c[nH]c2c1cccc2,mutagenic
+O=C(O[C@@H]1C[C@@](O)(C[C@@H]([C@H]1O)O)C(=O)O)/C=C\c1ccc(c(c1)O)O,non-mutagenic
+[O-][N+](=O)c1c(C)c(cc2c1C(C)(C)CC2(C)C)[N+](=O)[O-],non-mutagenic
+COC(=O)c1oc(c(c1c1ccccc1)c1ccccc1)N(C(=O)C)O,non-mutagenic
+O[C@@H]1[C@H](O)[C@@H](O)CO[C@H]1N(c1ccc(cc1)[N+](=O)[O-])N=O,mutagenic
+OC(=O)C(CC(=O)c1cccc(c1N)O)N,non-mutagenic
+C=O,mutagenic
+O=NN1CC[C@H](C1)O,mutagenic
+Oc1ccccc1c1ccccc1,non-mutagenic mutagenic
+CC(=O)C1=C(O)C2N(C1=O)C(C1C2c2c[nH]c3c2c(C1)ccc3)(C)C,mutagenic
+[O-][N+](=O)C1=Cc2c3c1cccc3cc1c2c2ccccc2cc1,mutagenic
+c1cc2ccc3c4c2c(c1)ccc4nc1c3cccc1,mutagenic
+O=C[C@@H](c1c(O)cc2c(c1O)C(=O)c1c(C2=O)cc(cc1O)O)CCOC(=O)C,mutagenic
+COc1ccc(cc1)NC(=O)c1csc(c1)[N+](=O)[O-],mutagenic
+O=C/C=C(\C=C/C=C(\C=C/C1=C(C)CCCC1(C)C)/C)/C,mutagenic
+CC(=CCC[C@]([C@H]1CCC=CC1=O)(O)C)C,mutagenic
+CCN(CCn1nc2c3c1Sc1cc(Cl)ccc1-c3c(cc2)CO)CC,mutagenic
+CCOc1ccc2c(c1)sc(n2)N,mutagenic
+OC[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)c1c(O)c2c(c(c1O)O)C(=O)c1c(C2=O)c(C)c(c(c1)O)C(=O)O,mutagenic
+COc1c(Cl)ccc(c1C(=O)O)Cl,non-mutagenic
+OC(COc1ccc(cc1C(=O)C)N)CNC(C)(C)C,non-mutagenic
+O=C1OC2(c3c1cccc3)c1cc(I)c(c(c1Oc1c2cc(I)c(c1I)O)I)O,non-mutagenic
+OCc1c2ccccc2cc2c1cccc2,mutagenic
+CS(=O)(=O)O,non-mutagenic
+CCCCCNCCCCC,non-mutagenic
+OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F,non-mutagenic
+Nc1ccc2c(c1)c(N)c1c(n2)cccc1,mutagenic
+[O-][Cl](=O)(=O)=O,non-mutagenic
+CC1=CCC(CC1)C(O)(C)C,non-mutagenic
+OC1CC(C)(C)N(C(C1)(C)C)O,mutagenic
+COc1ccc(cc1)CN1C2C1c1ccccc1-c1c2cccc1,mutagenic
+O[C@@H](c1ccccc1)[C@H](N)C,non-mutagenic
+O=CCC(CCC=C(C)C)C,non-mutagenic
+Cn1cc2c(n1)cc(cc2)[N+](=O)[O-],mutagenic
+Fc1ccc(cc1)C(=O)[C@H]1O[C@@H]1c1ccccc1,mutagenic
+CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC,non-mutagenic
+C[C@H]1CCCC(=O)CCC/C=C\c2c(C(=O)O1)c(O)cc(c2)O,non-mutagenic
+Oc1cc2ccc(cc2cc1S(=O)(=O)O)S(=O)(=O)O,non-mutagenic
+[O-][N+](=O)c1cccc2c1snc2,mutagenic
+Clc1cc(Sc2cc(Cl)cc(c2O)[N+](=O)[O-])c(c(c1)[N+](=O)[O-])O,non-mutagenic
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)cc2c1cccc2,mutagenic
+COC(=O)c1ccc(cc1)/C=N/n1nnc2-c(c1O)nc1c2cccc1,mutagenic
+CCCCCCC(=O)OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F,non-mutagenic
+[O-][N+](=O)c1cc2c(o1)cc1c3c2ccc2c3c(cc1)ccc2,mutagenic
+CCN(N(N=O)O)CC,mutagenic
+O=Cc1ccc(c(c1)Cl)Cl,non-mutagenic
+COc1ccc2c(c1)ccc1c2cc(o1)[N+](=O)[O-],mutagenic
+O=NN1CCN(CC1)C,mutagenic
+CNc1ccc(cc1)N=Nc1ccc(cc1)NC,non-mutagenic
+Nc1ccc(cc1)Nc1ccc(cc1)[N+](=O)[O-],mutagenic
+OC(=O)CCCOc1ccc(cc1C)Cl,non-mutagenic
+OCCOCC,non-mutagenic
+O=C1OC(=O)c2c1c(Br)c(c(c2Br)Br)Br,non-mutagenic
+[O-][N+](=O)c1ccc2c(c1)nc[nH]2,mutagenic
+O=Cc1ccccc1[N+](=O)[O-],mutagenic
+Oc1ccc(cc1)C(=O)O,non-mutagenic
+C#CC1(O)CCC2C1(C)CCC1C2CCC2=CC(=O)CCC12,non-mutagenic
+OC(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-],mutagenic
+Nc1ccc(cc1)NC(=O)c1ccc(cc1)C(=O)O,non-mutagenic
+C/C(=C\C)/C(=O)OC1CCN2C1C(=CC2)CO,non-mutagenic
+ClC=C(Cl)Cl,non-mutagenic
+N#Cc1cccc2c1cccc2[N+](=O)[O-],mutagenic
+O=C(c1ccc(cc1)[N+](=O)[O-])[C@H]1O[C@@H]1c1ccccc1,mutagenic
+OCC[N+](C)(C)C,non-mutagenic
+OCC1OC(C(C1O)O)n1cnc2c1ncnc2NCC(COc1cccc2c1cccc2)O,non-mutagenic
+Cc1cc2c(cc1C)nc1c(c2C)ccc2c1cccc2,mutagenic
+O=CC=C(C)C,non-mutagenic
+O=CC=C(Cl)Cl,mutagenic
+c1ccc(cc1)c1ccc(cc1)CC1CO1,mutagenic
+CCCCCCCCCCCCCCCC[C@H]1CO1,non-mutagenic
+OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC(=O)/C(=C/C=C/C(=C/C=C/C=C(\C=C\C=C(/C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@H]([C@@H]([C@H]4O)O)O)[C@H]([C@@H]([C@H]3O)O)O)\C)/C)/C)/C)[C@@H]([C@H]([C@@H]2O)O)O)[C@@H]([C@H]([C@@H]1O)O)O,non-mutagenic
+CC(CCC[C@H]([C@@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C[C@H]2[C@@]3([C@]1(C)CC[C@@H](C3)OC(=O)C)N2N1C(=O)c2c(C1=O)cccc2)C)C,mutagenic
+Nc1ccc(c(c1)C(=O)O)O,non-mutagenic
+c1ccc(cc1)N(c1ccccc1)c1ccccc1,non-mutagenic
+OC1CC(O)C(=C)/C(=C/C=C/2\CCCC3(C2CCC3C(CCC(C(C)C)O)C)C)/C1,non-mutagenic
+Oc1cc(Cl)c(cc1Cl)O,non-mutagenic
+CCC(CO)(CO)CO,non-mutagenic
+CC(OC(=O)Cc1ccccc1)C,non-mutagenic
+CO/N=C(/c1csc(n1)N)\C(=O)NC1C(=O)N2C1SCC(=C2C(=O)O)CSC(=O)c1ccco1,non-mutagenic
+ClC([N+](=O)[O-])Cl,mutagenic
+CCOC(=O)c1ccccc1N,non-mutagenic
+ClCCNCCCNc1c2ccccc2nc2c1ccc1c2nccc1,mutagenic
+COc1cc2oc(c3ccc(cc3)O)c(c(=O)c2cc1OC)O,non-mutagenic
+CC(=O)Nc1ccccc1C,mutagenic
+COc1cc2N(C)C3C4(c2cc1C1(CC2CN(CCc5c1[nH]c1c5cccc1)CC(C2)(O)CC)C(=O)OC)CCN1C4C(C(C3(O)C(=O)OC)OC(=O)C)(CC)C=CC1,non-mutagenic
+N#N=Nc1ccc2c(c1)nc1c(c2Nc2ccc(cc2OC)NS(=O)(=O)C)cccc1C,mutagenic
+O=c1[nH]c(=O)n(cc1F)C1CCCO1,non-mutagenic
+N1CC1,mutagenic
+CCCCC(C(C(OC(=O)CC(C(=O)O)CC(=O)O)CC(CCCCCCC(CC(C(N)C)O)O)C)OC(=O)CC(C(=O)O)CC(=O)O)C,non-mutagenic
+Cc1cnc2c(n1)c1ncn(c1cc2)C,non-mutagenic
+OC1C=Cc2c(C1O)c(Cl)c1c(c2)c2ccccc2cc1,non-mutagenic
+c1ccc2c(c1)oc1c2cccc1,non-mutagenic
+ClC(=O)c1ccc(cc1)C,mutagenic
+C1CCCN1,non-mutagenic
+CC(=O)Nc1ccc(cc1)c1ccccc1,mutagenic
+CC1(OC1)c1ccccc1,mutagenic
+N#N=Nc1nc2c(n1C)ccc1c2cccc1,mutagenic
+NC(=N)c1ccc2c(c1)[nH]c(c2N)C(=N)N,non-mutagenic
+O=C1Nc2ccc(cc2C(=N[C@@H]1O)c1ccccc1)Cl,non-mutagenic
+COc1nsc2c1cccc2N,mutagenic
+CC(=O)OCN=[N+](C)[O-],non-mutagenic
+OC(COc1cccc2c1cccc2)CNC(=O)C,non-mutagenic
+Nc1cc2cccc3c2c2c1cccc2cc3,mutagenic
+CCCCCON=O,mutagenic
+CCCCOC(=O)CCC,non-mutagenic
+COc1ccc(cc1C(C)(C)C)O,non-mutagenic
+[O-][N+](=O)c1cccc2c1cc([N+](=O)[O-])c(c2)[N+](=O)[O-],mutagenic
+OCC(CBr)(Br)C,non-mutagenic
+C[N+](CC1OC1)(C)C,mutagenic
+O=C(Nc1ccc(cc1)Cl)OCC12OOC2(C)c2c(O1)cccc2,mutagenic
+CN1CCOCC1,non-mutagenic
+Cc1cc(ccc1C)N=Nc1c(O)ccc2c1cccc2,non-mutagenic
+O=c1ccc2c(o1)c1CCCN3c1c(c2)CCC3,mutagenic
+O=C1C=CC(=O)N1,mutagenic
+ClCc1cc2cccc3-c4c(-c(c1)c23)cccc4,mutagenic
+N#C/C(=C\C=C\c1ccccc1)/c1ccc(cc1)Cl,mutagenic
+Nc1ccc2c(c1N=Nc1ccc(cc1)c1ccc(cc1)N=Nc1c(N)ccc3c1c(O)cc(c3)S(=O)(=O)O)c(O)cc(c2)S(=O)(=O)O,mutagenic
+ClCC(=O)CCl,mutagenic
+Cc1ccc(cc1)C(=O)c1cc(O)c(c(c1)[N+](=O)[O-])O,non-mutagenic
+CC[n+]1c(c2ccccc2)c2cc(N)ccc2c2c1cc(N)cc2,mutagenic
+[O-][N+](=O)c1cc2cccc(c2c2c1cccc2)[N+](=O)[O-],mutagenic
+C/C(=C\C=C\C=C(\C=C\C=C(\C=C\C=C(\CCC=C(C)C)/C)/C)/C)/C=C/C=C(/C=C/C=C(/CCC=C(C)C)\C)\C,non-mutagenic
+Clc1ccc(c(c1)Nc1ccccc1C(=O)O)C(=O)O,non-mutagenic
+Oc1cc(O)cc(c1)O,non-mutagenic
+Nc1ccc(cc1)S(=O)(=O)Nc1nccs1,non-mutagenic
+C=CC(c1cc2cc3CC(Oc3cc2oc1=O)C(O)(C)C)(C)C,mutagenic
+Clc1cncc(c1)Cl,non-mutagenic
+CC(C(=O)N(Cc1ccccc1)C)Br,non-mutagenic
+COP(=O)(OC)C,non-mutagenic
+CC(=O)C,non-mutagenic
+OC[C@H]1O[C@H]2[C@H]([C@@H]1O)Oc1n2ccc(=N)n1,non-mutagenic
+OCCS,non-mutagenic
+[O-][N+](=O)c1ccc(cc1)/C=C/c1ccc(cc1)[N+](=O)[O-],mutagenic
+CC(=O)N(c1ccccc1C)O,mutagenic
+OS(=O)(=O)Oc1ccc2c3c1ccc1c3c(cc2)cc2c1cccc2,mutagenic
+N[C@@H](C(=O)OC(C)(C)C)CN=[N+]=[N-],mutagenic
+COc1cc(N)ccc1C,mutagenic
+n1ccc2c(c1)cc1c(c2)c2ccccc2c2c1cccc2,mutagenic
+CCC(=O)OCc1ccccc1[N+](=O)[O-],non-mutagenic
+Clc1ccccc1NS(=O)(=O)c1cccc2c1nccc2,non-mutagenic
+Nc1ccc2c(c1)c(Cl)ns2,mutagenic
+OC(COc1nsnc1N1CCOCC1)CNC(C)(C)C,non-mutagenic
+O=Nc1c(nc2n1ccs2)c1ccc(cc1)Cl,mutagenic
+OCC12OOC2(CO)Oc2c1cccc2,non-mutagenic
+CC[C@H](NC(=O)/C=C/c1ccc(o1)[N+](=O)[O-])C,mutagenic
+O=C1c2ccccc2C(=O)c2c1cccc2,mutagenic
+OC(=O)[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)N(c1ccc(cc1)c1ccccc1)O,mutagenic
+COc1c2ccccc2nc2c1cco2,mutagenic
+OC(COc1ccccc1C1=CCCC1)CNC(C)(C)C,non-mutagenic
+C/C=C/CC#N,non-mutagenic
+OC[C@H]1O[C@@H](O[C@@]23CC[C@@H]4[C@@](C2)(CC3=C)CC[C@H]2[C@@]4(C)CCC[C@@]2(C)C(=O)O)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O,non-mutagenic
+CCBr,mutagenic
+Cc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)c(c(c1)O)O,non-mutagenic
+C[C@H](CBr)O,mutagenic
+OCC1OC(C(C1O)O)n1cnc2c1nc(nc2N)c1cccc(c1)[N+](=O)[O-],mutagenic
+COc1nc2c(CBr)cccc2nc1OC,mutagenic
+CCCN(CCCCO)N=O,mutagenic
+Cc1ccc(cc1)[N+]#N,mutagenic
+OCC12C(C=C(C(=O)C1O)C)OC1C3(C2(C)C(O)C1O)OC3,non-mutagenic
+ClCc1ccccc1[N+](=O)[O-],mutagenic
+COc1cccc2c1C(=O)c1c(O)c3C(O)CC(Cc3c(c1C2=O)O)(O)C(=O)CO,mutagenic
+ClCCN(c1ccc(cc1)c1[nH]c2c(n1)cc(cc2)Cc1nc2c([nH]1)ccc(c2)N1CCN(CC1)C)CCCl,non-mutagenic
+CN=C=O,non-mutagenic
+OC(=O)CI,mutagenic
+Oc1ccc2c3c1ccc1c3c(cc2)c2c(c1)cccc2,mutagenic
+CCCC,non-mutagenic
+CNc1ccc2c(c1C)ncc(n2)C,mutagenic
+C1CC23C(C1)(O3)C=CC=C2,mutagenic
+[O-][N+](=O)c1ccc(cc1)/C=N/n1nnc2-c(c1O)nc1c2cccc1,mutagenic
+OC1CCC2(C(C1)CCC1C2CC(O)C2(C1CCC2C(CCC(=O)O)C)C)C,mutagenic
+Brc1ccc(cc1)c1ccccc1,non-mutagenic
+[O-][N+](=O)c1ccc2c(c1)snc2Cl,mutagenic
+CN[C@H](Cc1ccccc1)C,non-mutagenic
+Cc1ccc(cc1)[N+](=O)[O-],non-mutagenic
+CCOCCOC(=O)c1cc(ccc1N)Cc1ccc(c(c1)C(=O)OCCOCC)N,non-mutagenic
+COc1cc(N)c(cc1N)[N+](=O)[O-],mutagenic
+Nc1c2C(=O)c3ccccc3C(=O)c2c(cc1S(=O)(=O)O)Nc1cccc(c1)S(=O)(=O)CCOS(=O)(=O)O,mutagenic
+CC(C#N)O,non-mutagenic
+C=CCn1cc2c3c1cccc3C1C(C2)N(C#N)CC(C1)C,mutagenic
+OC1C(O)c2cccc3c2c2c1cccc2cc3,non-mutagenic
+NC(=O)/C(=C\c1ccc(o1)[N+](=O)[O-])/c1ccco1,mutagenic
+BrCCOC(=O)C(C(C(=O)OCCBr)O)O,mutagenic
+OC[C@H]([C@H]([C@@H]([C@H](CO)O)O)O)O,non-mutagenic
+c1cnc2c(c1)c1c(cc2)CCC2C1O2,mutagenic
+BrC(=C)C(=O)C,mutagenic
+S(Cc1ccccc1)Cc1ccccc1,non-mutagenic
+Fc1cnc2c(c1)cc(c1c2cccc1)F,non-mutagenic
+O=C/C=C/C(O)C,mutagenic
+Clc1ccc(cc1)CO/N=C/c1c(C)n(c2c1cc(cc2)[N+](=O)[O-])Cc1ccccc1,non-mutagenic
+Oc1cccc2c1c1ccc3c(c1cc2)cccc3,mutagenic
+ClCCN([P@]1(=O)NCCCO1)CCCl,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/c1ccc(o1)[N+](=O)[O-],mutagenic
+Nc1ccc(c2c1C(=O)c1c(O)ccc(c1C2=O)N)O,mutagenic
+CCC1(C)CO1,non-mutagenic
+CCC(=C)C=O,mutagenic
+Oc1ccc(cc1)/C=N/c1snc2c1cc(Cl)cc2Cl,mutagenic
+O=C(c1ccccc1N)OC/C=C/c1ccccc1,non-mutagenic
+Cc1ccc2c(n1)cccc2,mutagenic
+ClC(Br)Br,non-mutagenic
+Cc1ccc2c(c1)cc(cc2)[N+](=O)[O-],mutagenic
+CC1(OC1)c1ccc(cc1)Br,non-mutagenic
+Oc1cc(C)c2c3c1C(=O)c1c(O)cc(c4c1c3c1c3c2c(C)cc(c3C(=O)c2c1c4c(O)cc2O)O)O,non-mutagenic
+CC(NC(C)C)C,non-mutagenic
+NC(=N)NC(=O)c1nc(Cl)c(nc1N)N,mutagenic
+C/C(=C/C)/C#N,non-mutagenic
+Cc1ccc(cc1)Cc1ccccc1,non-mutagenic
+O=NN(Cc1cccc(c1)Br)C,mutagenic
+CC(=O)N(c1ccc(cc1)Sc1ccccc1)OC(=O)C,mutagenic
+CCC[C@H]([C@H](CO)CC)O,non-mutagenic
+CNC(=O)N(c1ccccc1)c1ccccc1,non-mutagenic
+C1O[C@H]1[C@@H]1CC[C@H]2[C@@H](C1)O2,mutagenic
+Clc1ccccc1,non-mutagenic
+COc1ccc(cc1[N+](=O)[O-])C(=O)Nc1ccccc1,mutagenic
+[O-][N+](=O)c1c(C)cccc1C,non-mutagenic
+ClC(=C(SSc1ccccc1[N+](=O)[O-])Cl)Cl,mutagenic
+Nc1ccc(cc1C)NOS(=O)(=O)O,mutagenic
+OCC1OC(C(C1O)O)n1ccc(nc1=O)N,non-mutagenic
+CC(COS(=O)(=O)c1ccc(cc1)C)C,non-mutagenic
+CN(CCNC(=O)c1cccc2c1sc1ccccc1c2=O)C,mutagenic
+Oc1ccc(c2c1c(=O)c1c(o2)cc2c(c1O)C1(O)C=COC1O2)CCC(O)(C)C,mutagenic
+BrCc1ccccc1CBr,non-mutagenic
+COC(=O)c1ccccc1O,mutagenic
+BrCCCCBr,mutagenic
+c1ccc(cc1)Cn1cncc1,mutagenic
+CCC12OC2O1,mutagenic
+OCCc1sc[n+](c1C)Cc1cnc(nc1N)C,non-mutagenic
+OCC1OC(CC1O)n1cc(C)c(=O)[nH]c1=O,non-mutagenic
+[O-][N+](=O)c1c2ccccc2c2c(c1C)c1ccccc1cc2,mutagenic
+CC1CCc2c(C1)occ2C,non-mutagenic
+CN(C1Cc2cccc3c2c(C1)ccc3)C,mutagenic
+COCCOCCOP1(OCCOCCOC)NP(OCCOCCOC)(OCCOCCOC)NP(N1)(OCCOCCOC)OCCOCCOC,non-mutagenic
+O=Nc1c(CC)cccc1CC,mutagenic
+O=C(c1ccccc1O)Oc1ccccc1,non-mutagenic
+COc1ccc2c(c1)C1CCCCC1C1C2O1,non-mutagenic
+O=C/C=C/C=C/C=C/C=C/[C@@H](CC)O,mutagenic
+Nc1ccc2c(c1)cc1c(n2)cccc1,mutagenic
+[CH-]1Nc2c(C(=N)[N+]1=O)ncn2C,mutagenic
+Fc1cccc2c1nccc2,mutagenic
+OC1CC=Cc2c1nccc2,non-mutagenic
+Oc1ccc2c3c1ccc1c3c(c3c2cccc3)c(cc1)[N+](=O)[O-],mutagenic
+O=C(Cn1c(=O)sc2c1cccc2)OCc1ccccc1,non-mutagenic
+ON(c1ccccc1)C(=O)C,non-mutagenic
+Clc1c(Cl)c(Cl)c(c2c1cccc2)Cl,non-mutagenic
+COc1ccc2c(c1)nc(n2C)N,mutagenic
+CCOC(=O)c1[n+]([O-])nnc2c1n(C)c1c2cccc1,mutagenic
+c1ccc(cc1)CN1C2C1c1ccccc1-c1c2cccc1,mutagenic
+O=C1c2ccccc2-c2c1ccc1c2cccc1,mutagenic
+CCCCCCCCCCC,non-mutagenic
+OCC1OC(CC1O)n1cc(I)c(nc1=O)N,non-mutagenic
+COC(=O)/C(=C(/c1cc(Cl)ccc1Cl)\OP(=O)(OC)OC)/Cl,non-mutagenic
+OCC1CC(C(O1)n1cnc2c1ncnc2N)O,mutagenic
+O=CC1=C(CC(C2=CCC(C2)(C)C)C)C(OC1)O,non-mutagenic
+OC[C@@H](CCl)Cl,mutagenic
+CCOC(=O)OC(=O)OCC,non-mutagenic
+NC(=N)c1ccc(cc1)c1cc2c(s1)cc(cc2)C(=N)N,non-mutagenic
+N#N=NC(c1ccccc1)c1ccccc1,mutagenic
+Cc1cncc(n1)C,mutagenic
+CCCCCCCCCC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)CCCCCCCCC,mutagenic
+FC[C@H]1CO1,mutagenic
+OC(=O)c1ccccc1c1c2cc(Br)c(c(c2oc2-c1cc(Br)c(=O)c2Br)Br)O,mutagenic
+CC1NCCN(C1)c1cc2n(cc(c(=O)c2cc1F)C(=O)O)c1ccc(cc1F)F,mutagenic
+Fc1cccc2c1ccc1c2cccn1,mutagenic
+CCCc1cc(O)nc(n1)S,non-mutagenic
+[O-][N+](=O)c1cc2cccc3c2c2c1cccc2c1c3CCCC1,mutagenic
+Cc1ccc(c(c1O)C)C,non-mutagenic
+COc1ccc(cc1)c1[nH]c(nc1c1ccc(cc1)OC)c1ccc(cc1C)C,mutagenic
+ClCC1=C(Cl)C(=O)OC1,mutagenic
+Clc1cc(NC(=O)c2c(O)c(Cl)cc(c2Cl)Cl)c(c(c1)Cl)O,non-mutagenic
+NC(=O)c1cccnc1,non-mutagenic
+O[C@H]1C=Cc2c([C@@H]1O)ccc1c2c(cc2c1CCC2=O)C(F)(F)F,mutagenic
+CCCCCCC(OC(=O)C)C/C=C/CCCCCCCC(=O)OC,non-mutagenic
+CCOP(=S)(OCC)SCSP(=S)(OCC)OCC,non-mutagenic
+CCCCCCCCBr,non-mutagenic
+CCO[C@@H]1O[C@H](OCC)C[C@H]2[C@@]1(C)C[C@H]1[C@@H](C[C@@H]2C)OC(=O)C1=C,mutagenic
+CCOO,mutagenic
+Cc1ccc2c(c1)cccc2C,non-mutagenic
+O=C(c1ccc(cc1)[N+](=O)[O-])/C=C/c1ccccc1,mutagenic
+CC(C(C)(C)C)OP(=O)(F)C,non-mutagenic
+CN([C@H](CN1c2ccccc2Sc2c1cccc2)C)C,non-mutagenic
+O=C1c2ccccc2-c2c3c1cccc3c(cc2)O,mutagenic
+[O-][N+](=O)c1cccc(c1)/C=N/c1snc2c1cccc2,mutagenic
+CC(=O)ON(C(=O)c1ccccc1)OCc1ccc(cc1)Oc1ccccc1,mutagenic
+FC(C(F)(F)F)(Cl)F,non-mutagenic
+Cc1cnc2c(n1)cc(c1c2nc(n1C)N)C,mutagenic
+O=C1c2c(-c3c1c1ccccc1cc3)ccc1c2cccc1,non-mutagenic
+ClCCNCCCNc1c2ccccc2nc2c1cccc2OC,mutagenic
+C/C=C\1/CC(=C)[C@@](C)(O)C(=O)OCC2=CCN3[C@H]2[C@@H](OC1=O)CC3,mutagenic
+[O-][N+](=O)c1ccc2c(c1)oc(=O)c1c2cccc1,mutagenic
+COc1c2oc(=O)ccc2cc2c1occ2,mutagenic
+SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N,mutagenic
+Clc1ccc(c(c1Cl)O)Cl,non-mutagenic
+OS(=O)(=O)Oc1ccc2c(c1)c1ccc3c4c1c(c2)ccc4ccc3,non-mutagenic
+O1C[C@@H]1COc1cccc(c1)OC[C@@H]1OC1,mutagenic
+Clc1c(S)c(Cl)c(c(c1Cl)Cl)Cl,non-mutagenic
+c1cnc2c(c1)C=C[C@H]1[C@@H]2O1,mutagenic
+CC(=O)Oc1ccccc1C(=O)Oc1ccccc1C(=O)O,non-mutagenic
+CCP(=O)(OCC)OCC,non-mutagenic
+CC(c1ccc(cc1)O)(CC(C)(C)C)C,non-mutagenic
+Br/C=C(/c1ccc(cc1Cl)Cl)\OP(=O)(OC)OC,non-mutagenic
+Cc1cc(N)c(cc1C)C,mutagenic
+Brc1cc(Br)c(c2c1C(=O)c1ccccc1C2=O)N,mutagenic
+CCCCCCCC[C@H]1CO1,non-mutagenic
+O=S1(=O)CCCC1,non-mutagenic
+CCc1cc2ccccc2c2c1c1C3OC3C(C(c1cc2)O)O,mutagenic
+CC(=O)OCc1c(O)cc2c(c1O)C(=O)c1c(C2=O)cccc1,mutagenic
+CCc1ccccc1Nc1ccc(c2c1C(=O)c1c(C2=O)c(O)ccc1O)Nc1ccccc1CC,mutagenic
+C1CCC2C(C1)c1ccccc1C1C2O1,non-mutagenic
+COc1cc(OC)c2c(c1)c(OC)c1c(n2)occ1,mutagenic
+Cc1ccc2c(c1)c1c(C)ccc(c1[nH]2)C,mutagenic
+Nc1ccc2c(c1N=Nc1ccc(cc1S(=O)(=O)O)[N+](=O)[O-])c(O)cc(c2)S(=O)(=O)O,non-mutagenic
+CN=NO,mutagenic
+[O-][N+](=O)c1ccc2c(c1)c(cc1c2cccc1[N+](=O)[O-])[N+](=O)[O-],mutagenic
+Nc1ccc(cc1)Cc1ccc(cc1)N,mutagenic
+NCCCCCCN,non-mutagenic
+O=Cc1ccc2c3c1ccc1c3c(cc2)ccc1,mutagenic
+NC(=S)NCC=C,non-mutagenic
+Oc1ccc(c2c1c(=O)c1c(o2)cc2c(c1O)C1C=COC1O2)CCC(O)(C)C,mutagenic
+CN(c1ccc(cc1)/C=C/C(=O)c1ccccc1)C,non-mutagenic
+CCOCc1c(O)cc2c(c1O)C(=O)c1c(C2=O)cccc1,mutagenic
+CCO[P@@](=O)(Oc1ccc(c(c1)C)SC)NC(C)C,non-mutagenic
+OC1C=Cc2c(C1O)cc1c(c2)c(C)cc2c1cccc2O,mutagenic
+O=Nc1c(C)n(n(c1=O)c1ccccc1)C,mutagenic
+O=C(C1=C(C)OCCS1)Nc1ccccc1,non-mutagenic
+Nc1cccc(c1C)N,mutagenic
+[N-]=[N+]=NCC(C(=O)O)(N)C,mutagenic
+Cc1c2cc(C)c(cc2c(c2c1cccc2)C)C,mutagenic
+COc1cc(OC)c2c(c1)oc1c(c2=O)c(O)ccc1OC,mutagenic
+O=CC1=C(O)C[C@H]2[C@@](C1)(C)[C@H]1CC[C@]3([C@@H]([C@@H]1CC2)CC[C@]3(C)O)C,non-mutagenic
+OCCNc1ccc(c2c1C(=O)c1c(C2=O)c(O)ccc1O)NCCO,mutagenic
+[O-][N+](=O)c1cc2CCc3c4c2c(c1)ccc4ccc3,mutagenic
+O=NN(COC(=O)C)C,mutagenic
+COC(=O)/C(=C/c1ccc(o1)[N+](=O)[O-])/[N+](=O)[O-],mutagenic
+OC(=O)c1c(C(=O)O)c(Br)c(c(c1Br)Br)Br,non-mutagenic
+O=C(c1cccc2c1nccc2)OCc1ccccc1,non-mutagenic
+CN1CCN(CC1)C1=CC(=O)c2c(C1=O)c1-c(c([nH]2)C)c2c(n1)cccc2,mutagenic
+C1=C[C@@H]2[C@H](C=C1)O2,mutagenic
+OC(=O)C(CC(=O)c1ccccc1N)N,non-mutagenic
+Nc1ccc(cc1)S(=O)(=O)Nc1nc(C)cc(n1)C,non-mutagenic
+c1ccc2c(-c3ccc4c(c3C2)c2ccccc2cc4)c1,mutagenic
+Nc1ccc2c(c1)cccc2,mutagenic
+ONc1ccc2c(c1)cccc2,mutagenic
+BrC(C1=C(Cl)C(=O)OC1)Br,mutagenic
+COC(=O)c1ccc(cc1)O,non-mutagenic
+Cc1ccc(cc1)N(C(=O)C)O,non-mutagenic
+CCCCNCCCC,non-mutagenic
+OCCN(C(=O)OCC)N=O,mutagenic
+CCCOC(=O)c1cc(ccc1N)Cc1ccc(c(c1)C(=O)OCCC)N,non-mutagenic
+Oc1ccc2c(c1)cccc2,non-mutagenic
+Brc1c(Br)c(Br)c(c(c1Br)Br)Br,non-mutagenic
+CN(CCNC(=O)c1ccc2c(c1)nc1c(c2N)cccc1)C,non-mutagenic
+OC(CNC(C)(C)C)COc1ccc(cc1C(=O)C)NC(=O)NC(C)(C)C,non-mutagenic
+CN(C(c1ccccc1)(c1ccccc1)N(C)C)C,non-mutagenic
+Nc1ccc(cc1)S(=O)(=O)Nc1nnc(s1)C,non-mutagenic
+Oc1ccc2c(c1)nccc2,non-mutagenic
+OC(=O)C(Oc1ccc(cc1)[C@H]1CCCc2c1cccc2)(C)C,non-mutagenic
+CCCC/C=C/C=C/C=C/C=C/C=C/OCC(CO)O,mutagenic
+O=c1c2cccc3c2c2c(c1=O)cccc2cc3,non-mutagenic
+O=NN(CC(=O)C)C,mutagenic
+Cc1cccc(c1)OP(=O)(Oc1ccccc1)Oc1ccccc1,non-mutagenic
+[N-]=[N+]=NCCc1ccccc1,mutagenic
+Nc1ccc(cc1)c1ccc(cc1)[N+](=O)[O-],mutagenic
+CN(CCNC(=O)c1cccc2c1Oc1ccccc1O2)C,mutagenic
+Nc1ccc(cc1)S(=O)(=O)Nc1ccccn1,non-mutagenic
+OCCOc1cc(Cl)c(cc1Cl)Cl,non-mutagenic
+O1CC1,mutagenic
+O=NN(Cc1ccc(cc1)Cl)C,mutagenic
+COP(=S)(OC)OC,non-mutagenic
+CC[C@@H](C(C)C)CC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CC[C@@H](C2)O)C,non-mutagenic
+O=NN(C(=O)[C@@H]1CCCN1C(=O)C)CC(=O)O,mutagenic
+O=CC1=CC(C)C2C(C=C1C=O)CC(C2)(C)C,non-mutagenic
+Cc1cc2ccccc2c2c1c1ccccc1c(c2)[N+](=O)[O-],mutagenic
+COc1cccc(c1)CN1C2C1c1ccccc1-c1c2cccc1,mutagenic
+CC(c1cccc(c1O)C(C)(C)C)(C)C,non-mutagenic
+COc1ccc(ccc1=O)[N+](=O)[O-],mutagenic
+C[C@@H]1O[C@H]1c1ccccc1,non-mutagenic
+c1ccc(cc1)CNc1[nH]cnc2-c1ncn2,non-mutagenic
+CC(Cc1ccc(cc1)C(=O)C)C,non-mutagenic
+CCN1CCN(C(=O)C1=O)C(=O)NC(C(=O)NC1C(=O)N2C1SC(C2C(=O)O)(C)C)c1ccccc1,non-mutagenic
+Clc1ccc(c(c1)Cl)Oc1ccc(cc1)N(C(=O)C)O,mutagenic
+Nc1ccc2-c3c(Cc2c1)cc(cc3)N,mutagenic
+CCN(c1ccc(cc1)c1ccc(cc1)c1ccc(cc1)c1ccc(cc1)N(CC)CC)CC,non-mutagenic
+CCC(=O)N(c1ccc(cc1)c1ccccc1)O,mutagenic
+COCc1c(O)cc2c(c1O)C(=O)c1c(C2=O)cccc1,mutagenic
+Nc1cnc2c(c1)c1ccccc1cc2,mutagenic
+CNc1ccc(cc1)O,mutagenic
+C/C=C\C=C/C=O,mutagenic
+O=C1C=Cc2c(C1=O)cccc2,mutagenic
+OC1C2OC2c2c(C1O)cc1c(c2)c2ccccc2c2c1cccc2,mutagenic
+CCCCCCCCCCCCCCCCCC(=O)NCCCC[C@@H](C(=O)O)NC(=O)CC[C@H](C(=O)N)NC(=O)[C@@H](NC(=O)[C@H](O[C@@H]1[C@H](NC(=O)C)[C@H](O)O[C@@H]([C@H]1O)CO)C)C,non-mutagenic
+S=c1scc(s1)c1ccccc1,non-mutagenic
+c1ccccc1,non-mutagenic
+CC(COC(=O)COc1cc(Cl)c(cc1Cl)Cl)C,non-mutagenic
+Clc1cc(O)c(c(c1)Cl)Cl,non-mutagenic
+O=NN(N(C(=O)/C(=N\O)/C(=O)C)c1ccccc1)C,mutagenic
+CSc1ccc(cc1C)OP(=S)(OC)OC,non-mutagenic
+C=CCOC(=O)c1ccccc1N,non-mutagenic
+COc1ccc(cc1O)C1CC(=O)c2c(O1)cc(cc2O)OC1OC(COC2OC(C)C(C(C2O)O)O)C(C(C1O)O)O,non-mutagenic
+C=C[C@H]1CCC=CC1,non-mutagenic
+C1CCC2C(C1)c1ccccc1C=C2,mutagenic
+Cc1cc2nc3-c(n(c2cc1C)C)nc(=O)[nH]c3=O,mutagenic
+NC(=O)CN1C[C@@H](CC1=O)O,non-mutagenic
+OC(=O)CCCC(=O)O,non-mutagenic
+C=CCc1ccc(c(c1)OC)O,non-mutagenic
+Clc1cc2c(c3c1cccc3)ccc1c2cccc1,mutagenic
+CC(C=O)CC,non-mutagenic
+CCOP(=S)(SCSC(C)(C)C)OCC,non-mutagenic
+Cc1ccc(cc1C)S(=O)(=O)O,non-mutagenic
+CC(=O)Nc1ccc(cc1)/C=C/C(=O)c1ccccc1,mutagenic
+C=CC(=O)OCC(COC(=O)C=C)(COC(=O)C=C)CO,non-mutagenic
+Oc1ccccc1O,non-mutagenic
+Cl/C=C/CSCC(C(=O)O)N,non-mutagenic
+CC(=O)O[C@@H]1Cc2c3c1c(C)ccc3cc1c2ccc2c1cccc2,mutagenic
+Brc1c2ccc3c(c2cc2c1cccc2)cccc3,mutagenic
+Clc1cc([N+](=O)[O-])c(c(c1Cl)Cl)Cl,non-mutagenic
+O1CC1COc1ccc(cc1)Cc1ccccc1,mutagenic
+O=NN1CCC=CC1,mutagenic
+O=Nc1ccc(cc1C(C)(C)C)c1ccccc1,mutagenic
+O=N#Cc1cc(C)cc(c1)C#N=O,mutagenic
+O[C@@H]1C=Cc2c([C@H]1O)ccc1c2cc2ccccc2c1,mutagenic
+ClCc1c2ccccc2c(c2c1cccc2)Cl,mutagenic
+O=NN(C(=O)N)CCC[C@H](C(=O)O)N,mutagenic
+O=CN(c1cccc(c1)Cl)O,non-mutagenic
+C1COCCOC2CCCCC2OCCOCCOCCOC2C(OCCO1)CCCC2,non-mutagenic
+CCC(COC(=O)C(=C)C)(COC(=O)C(=C)C)COC(=O)C(=C)C,mutagenic
+CCCCN(CC(c1ccc(cc1)O)O)N=O,non-mutagenic
+CNc1ccc(cc1)N=Nc1ccc(cc1)N(C(=O)C)C,mutagenic
+[O-][N+](=O)c1ccc(o1)/C=C/C(=O)NCC,mutagenic
+CC(COC(=O)c1ccccc1C(=O)OCC(C)C)C,non-mutagenic
+COc1ccc2c(c1)c1c(C)c(N)cc(c1[nH]2)C,mutagenic
+Cc1cccc(c1)N=Nc1ccc(cc1)N(C)C,mutagenic
+CC(=O)OCc1cc(ccc1OC(=O)C)C(=O)C,mutagenic
+CCN(C(=O)Nc1ccc(c(c1)C(=O)C)OCC(CNC(C)(C)C)O)CC,non-mutagenic
+Nc1c2CCCCc2nc2c1cccc2,mutagenic
+C[n+]1cccc(c1)C(=O)O,non-mutagenic
+[O-][N+](=O)c1ccccc1c1ccccc1,non-mutagenic
+C#C[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@H]12)OC(=O)C,non-mutagenic
+OCC1OC(CC1O)n1c(O)nc2c1nc(N)nc2O,non-mutagenic
+N#Cc1cccc2c1nccc2,mutagenic
+O=C(c1ccc(cc1)[N+](=O)[O-])/C=C/c1ccc(cc1)[N+](=O)[O-],mutagenic
+ClC(C(=O)C(Cl)(Cl)Cl)Cl,mutagenic
+O=NN(C(=O)N)CCC(=O)O,mutagenic
+OCc1ccc(cc1)OC,non-mutagenic
+Oc1ccc2c(c1)cc1c(c2)c2ccccc2c2c1cccc2,mutagenic
+Brc1ccc(cc1)C(=O)/C=C/c1ccccc1,non-mutagenic
+Sc1ccc(cc1)[N+](=O)[O-],mutagenic
+N#Cc1ccc(cc1)/C=C/c1ccc(cc1)N,mutagenic
+COc1ccc(cc1N)[N+](=O)[O-],mutagenic
+O[C@@H]1[C@@H](O)C[C@@](C[C@H]1O)(O)C(=O)O,non-mutagenic
+BrC(=C)C(=O)O,non-mutagenic
+CN1CC(O)c2c3C1Cc1ccccc1-c3c1c(c2)OCO1,mutagenic
+Nc1cc(N)c(cc1N=Nc1cccnc1)C,mutagenic
+CCCCOP(=O)(Oc1ccccc1)OCCCC,non-mutagenic
+OCCC(C)C,non-mutagenic
+Nc1ccc(cc1)N=Nc1ccccc1,mutagenic
+OC(=O)CSc1ccc2-c3ccccc3C(=O)c3c2c1ccc3,mutagenic
+Nc1nc(N)c2c(n1)nc[nH]2,non-mutagenic
+N#Cc1ccccc1[N+](=O)[O-],non-mutagenic
+OC(=O)c1ccc(cc1)N=Nc1ccc(c(c1)C(=O)O)O,non-mutagenic
+OC(=O)/C=C/c1ccccc1[N+](=O)[O-],non-mutagenic
+Nc1ccc(c2c1cccc2)S(=O)(=O)O,non-mutagenic
+CCOC(=O)OC(c1ccnc2c1cc(OC)cc2)C1CC2CCN1CC2C=C,non-mutagenic
+CCOP(=O)(Oc1noc(c1)c1ccccc1)OCC,non-mutagenic
+CCCCON(C(=O)c1ccc(cc1)C)OC(=O)C,mutagenic
+C/C=C(/C=O)\Cl,mutagenic
+OC(=O)CCC(=O)Nc1ccc(c(c1Cl)Cl)Cl,non-mutagenic
+OC(=O)CCC(=O)CC(=O)C,non-mutagenic
+ClC(C1=C(Cl)C(=O)OC1)Cl,mutagenic
+O=C(C(=C)C)OCCCCOC(=O)C(=C)C,non-mutagenic
+CCOP(=O)(Oc1nc(Cl)c(cc1Cl)Cl)OCC,non-mutagenic
+CCN(c1ccc(cc1)C(=C1C=CC(=[N+](CC)CC)C=C1)c1ccccc1)CC,mutagenic
+NCCNCCN,non-mutagenic
+COc1ccc(cc1)S(=O)(=O)n1ncc(c(c1=O)Cl)Cl,non-mutagenic
+N=C1C=CC(=C(c2ccc(cc2)N)c2ccc(cc2)N)C=C1,mutagenic
+c1ccc2c(c1)[nH]nn2,mutagenic
+CC(=O)/C=C\c1ccc2c(c1)OCO2,non-mutagenic
+O=NN(C(=O)c1n(C)cnc1N(C(=O)OC(C)(C)C)C)C,mutagenic
+Cc1ccc2c(c1)c1cc3ccccc3cc1cc2,mutagenic
+Fc1ccc(cc1)C(=O)/C=C/c1ccccc1,non-mutagenic
+O[C@H]1Cc2c3c1c1ccc4c(c1cc3ccc2C)cccc4,mutagenic
+COC(=O)[C@H]1c2cc3C(=O)c4cccc(c4C(=O)c3c(c2[C@@H](C[C@@]1(O)CC)O)O)O,mutagenic
+C=Cc1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl,non-mutagenic
+OCCc1ccccc1,non-mutagenic
+CCC=O,non-mutagenic
+O=C(C1CCC2C(C1)O2)OCC1CCC2C(C1)O2,mutagenic
+OC1C=Cc2c(C1O)ccc1c2cc2ccc3c(c2c1)cccc3,mutagenic
+ClCC[N+](C)(C)C,non-mutagenic
+COC(=O)c1ccccc1NC,non-mutagenic
+CCOc1cccc(c1)[N+](=O)[O-],non-mutagenic
+FCCn1cc(C(=O)O)c(=O)c2c1c(F)c(N1CCN(CC1)C)c(c2)F,mutagenic
+CC(COC(=O)C(=C)C)O,non-mutagenic
+ONc1ccc2c(n1)n1cccc(c1n2)C,mutagenic
+COc1cc(C=O)c(cc1OC)OC,non-mutagenic
+COc1nsc2c1cccc2OCC1CO1,mutagenic
+Clc1cc2NCNS(=O)(=O)c2cc1S(=O)(=O)N,non-mutagenic
+OC1C=Cc2c(C1O)c1cc3ccc4c(c3cc1cc2)cccc4,mutagenic
+Cc1cscc1,non-mutagenic
+CN(C#N)C,non-mutagenic
+CCCCCCNC(=O)n1cc(F)c(=O)[nH]c1=O,non-mutagenic
+COC(=O)c1cc2OCOc2c2c1ccc1c2cccc1OC,mutagenic
+CCOC1=CC(=O)C(=CC1=O)NC(=O)C,mutagenic
+BrC(C(Br)(Br)Br)Br,non-mutagenic
+CNC(=O)Nc1ccccc1,non-mutagenic
+Cc1cc(C)c(c(c1N)C)N,mutagenic
+CCNc1nc(NC(C)C)nc(n1)O,non-mutagenic
+C[C@H](CCl)O,mutagenic
+Nc1ccc2-c3c4c(-c2c1)cccc4ccc3,mutagenic
+[O-][N+](=O)CCO,mutagenic
+COc1ccc(c(c1)O)C(=O)c1ccccc1,non-mutagenic
+OC(=O)c1ccccc1C(=O)O,non-mutagenic
+CN(CCCNc1c2ccccc2nc2c1c(ccc2F)[N+](=O)[O-])C,mutagenic
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)cc2c1CCC=C2,mutagenic
+Nc1sc2c(-c3cccnc3CC2(C)C)n1,mutagenic
+CCCC[C@H](COC(=O)C=C)CC,non-mutagenic
+Oc1ccccc1/C=N/c1snc2c1cccc2,non-mutagenic
+CC(=O)N(c1ccc2-c3c(Cc2c1)cccc3)O,mutagenic
+Oc1cccc(c1)Nc1ccccc1,non-mutagenic
+CCN(C(=S)SCC(=C)Cl)CC,mutagenic
+Oc1c(Br)cc(cc1Br)C1(OS(=O)(=O)c2c1cccc2)c1cc(Br)c(c(c1)Br)O,non-mutagenic
+CCN(C#N)N=O,mutagenic
+OCOC(C)(C)C,non-mutagenic
+BrCC(COP(=O)(OCC(CBr)(Br)C)OCC(CBr)(Br)C)(Br)C,non-mutagenic
+CO[C@@]12[C@H]3N[C@H]3CN2C2=C([C@@H]1COC(=O)N)C(=O)C(=C(C2=O)C)N,mutagenic
+CCCCCCCC(=O)O,non-mutagenic
+Oc1ccc2c(c1)c1c(cc2)ccc2c1ccn2C,mutagenic
+CC(=O)OCc1c2ccccc2c(c2c1ccc1c2cccc1)C,mutagenic
+[O-][N+](=O)c1c(N)cccc1O,non-mutagenic
+c1ccc2c(n1)c1ccc3c(c1cc2)nccc3,mutagenic
+OC[C@H]1O[C@H]([C@@H]([C@@H]1OP(=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1ccc(nc1=O)N)O)O)n1cnc2c1ncnc2N,non-mutagenic
+c1ccc2-c3c4c(-c2c1)cc1ccccc1c4ccc3,mutagenic
+O[C@H](COc1cccc(c1C)C)CNC(C)(C)C,non-mutagenic
+O=Cc1cc(OC(=O)C)c2c(c1)N1CC3C(C(C2COC(=O)N)(O1)OC(=O)C)N3C(=O)C,mutagenic
+OC1C2OC2c2c(C1O)c1cccnc1cc2,non-mutagenic
+CN(c1ccc(cc1)N(C)C)C,mutagenic
+CCCN(c1snc2c1cccc2)C(=O)CCCl,mutagenic
+ClCCN(CCCl)CCCC(Nc1c2cc(OC)ccc2nc2c1ccc(c2)Cl)C,mutagenic
+[O-][N+](=O)c1cnc(s1)N,mutagenic
+[O-][N+](=O)c1cc2CCc3c4-c2c(c1)CCc4cc1c3CCCC1,mutagenic
+CCCCCCCCCCCCCCCCCCN,non-mutagenic
+[O-][N+](=O)c1cc(N)c(c(c1)S(=O)(=O)O)O,non-mutagenic
+c1ccc2c(c1)cc1c(c2[C@@H]2CO2)ccc2c1cccc2,mutagenic
+Oc1ccc(cc1)CCC(=O)c1c(O)cc(cc1O)O,non-mutagenic
+CCCCCCC=O,non-mutagenic
+COc1cc(cc(c1O)OC)[C@H]1[C@@H]2C(=O)OC[C@@H]2[C@@H](c2c1cc1OCOc1c2)O[C@@H]1O[C@@H]2CO[C@H](O[C@H]2[C@@H]([C@@H]1O)O)c1cccs1,mutagenic
+ClC(Br)(Cl)Cl,mutagenic
+CC[C@@H]1NC(=O)c2c(N1)cc(c(c2)S(=O)(=O)N)Cl,non-mutagenic
+Oc1nc2c(C)cccc2nc1O,mutagenic
+[O-][N+](=O)c1cccc2c1nc1ccccc1n2,mutagenic
+[O-][N+](=O)c1cc(ccc1c1cccc(c1)[N+](=O)[O-])[N+](=O)[O-],mutagenic
+O=NN(Cc1ccc(cc1)Br)C,mutagenic
+CNc1ncnc(c1)Oc1ccc(cc1)N,mutagenic
+CC(=O)Nc1ccc(cc1)c1ccc(cc1)NC(=O)C,mutagenic
+CC(=O)Nc1ccc(cc1)Oc1ccccc1,mutagenic
+[O-][N+](=O)c1ccc2c(c1)c1cc(ccc1[nH]2)[N+](=O)[O-],mutagenic
+COc1c(O)cc2c(c1O)c(=O)cc(o2)c1ccc(cc1)O,non-mutagenic
+CC(=O)ON(c1ccc(cc1)Oc1ccc(cc1)NC(=O)C)C(=O)C,mutagenic
+CCCCCCCCCCCCCCCC(=O)O,non-mutagenic
+OC(=O)Cc1ccc(cc1)NC(=O)C,non-mutagenic
+COc1ccccc1O,non-mutagenic
+Cc1ccc2c(c1)nc1-c3ccccc3C(C(c1c2C)O)O,non-mutagenic
+COC1=CC(=O)c2c(C1=O)nc(c1c2[nH]c2c1CCCC2)C,mutagenic
+O=C1CCCCCCCCCCCCCCO1,non-mutagenic
+OC[C@@H]1O[C@H](CN=[N+](C)[O-])[C@H]([C@@H]([C@H]1O)O)O,non-mutagenic
+ClCC=C,mutagenic
+NC(C(=O)O)CSC(C(F)F)(F)F,non-mutagenic
+C/C=C/c1cccc(c1OC)OC,mutagenic
+[O-][N+](=O)c1ccc(cc1)[N+](=O)[O-],mutagenic
+Oc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1O)C,mutagenic
+NC(=O)c1ccccc1,non-mutagenic
+CCCCN(CCCC)CCCC,non-mutagenic
+Oc1ccc2c(c1)c1ccc3c(c1cc2)cccc3,mutagenic
+c1ccc2c(c1)nc1-c3cccc4c3c(-c1c2)ccc4,non-mutagenic
+CN(CCNC(=O)c1cccc2c1nc1ccccc1n2)C,mutagenic
+ClC[C@@]12[C@H](Cl)[C@@H]([C@H]([C@]2(CCl)C(Cl)Cl)CC1(Cl)Cl)Cl,mutagenic
+Oc1ccc2c(c1)nc([nH]2)N,mutagenic
+CCC/C=C(\C=O)/CC,non-mutagenic
+Nc1cccc(n1)N,mutagenic
+Cc1cc(ccc1N=Nc1cc(c2c(c1N)cccc2)S(=O)(=O)O)c1ccc(c(c1)C)N=Nc1cc(c2c(c1N)cccc2)S(=O)(=O)O,non-mutagenic
+[O-][N+](=O)c1cc(ccc1c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],mutagenic
+OCc1cc(ccc1O)C(=O)CN(C(C)(C)C)Cc1ccccc1,mutagenic
+C/C(=C\C=O)/Cl,mutagenic
+CC(=O)NCc1onc(n1)c1ccc(o1)[N+](=O)[O-],mutagenic
+[O-][N+](=O)c1ccc2c(c1)nc(n2Cc1ccccc1)/C=N/OCc1ccccc1[N+](=O)[O-],mutagenic
+Nc1ccc(cc1)S(=O)(=O)Nc1cnc2c(n1)cccc2Cl,non-mutagenic
+[O-][N+](=O)c1cccc2c1n[nH]c2,mutagenic
+ClCCNCCCNc1c2ccc(cc2nc2c1nc(OC)cc2)Cl,mutagenic
+[O-][n+]1cnc2c(c1N)ncn2C(c1ccccc1)c1ccccc1,mutagenic
+CCCCCN,non-mutagenic
+CC/C=C/1\OC(=O)c2c1cccc2,mutagenic
+CN(CCNC(=O)c1cccc2c1nc(cn2)c1ccccc1)C,mutagenic
+COc1cc(ccc1Nc1c2ccccc2nc2c1cccc2)NS(=O)(=O)C,mutagenic
+CCCCCCCOc1ccccc1NC(=O)OC(CN(CC)CC)C,non-mutagenic
+O=C1C=CC(=N#N)C=C1,mutagenic
+OC(=O)c1ccc(c(c1)C)[N+](=O)[O-],mutagenic
+C=CCOC[C@H]1CO1,mutagenic
+CC[C@H](OC(=O)/C=C/c1ccc(o1)[N+](=O)[O-])C,mutagenic
+OC1C(O)C2OC2c2c1ccc1c2c2ccccc2cc1,mutagenic
+CCCCOCC(=O)O,non-mutagenic
+CN([P+](N(C)C)(N(C)C)On1nnc2c1cccc2)C,non-mutagenic
+COc1ccc2c(c1)C1CCCCC1C=C2,mutagenic
+Cc1ccccc1C,non-mutagenic
+Clc1ccc(c(c1)Cl)Cn1nc(c2c1cccc2)C(=O)O,non-mutagenic
+CC(c1cc(Cc2cc(c(c(c2)C(C)(C)C)O)C(C)(C)C)cc(c1O)C(C)(C)C)(C)C,non-mutagenic
+CC(=O)C(=C)C,non-mutagenic
+CCOc1ccc(cc1)NC(=O)C[C@H](O)C,mutagenic
+N#N=Nc1ccc2c(c1)nc1c(c2Nc2ccc(cc2)C(=O)O)cccc1,mutagenic
+ICC[C@@H]1OC[C@H](O1)CO,mutagenic
+O=C(c1csc(c1)[N+](=O)[O-])Nc1ccccc1,mutagenic
+CC(CCOC(=O)CC(C)C)C,non-mutagenic
+ClCc1ccncc1,non-mutagenic
+COc1c2C(=O)c3ccccc3C(=O)c2cc(c1CO)O,mutagenic
+Cc1ccc(cc1)COS(=O)(=O)c1ccc(cc1)C,non-mutagenic
+OC(=O)COc1cc(Cl)c(cc1Cl)Cl,non-mutagenic
+ClC([N+](=O)[O-])(Cl)Cl,mutagenic
+Brc1ccc2c(c1)C1OC1C1C2CCCC1,non-mutagenic
+CCCCCCCCCCCCCCCC(=O)OCC1(O)CC23CC1CCC3C1(C(CC2)c2ccoc2C=C1)C,non-mutagenic
+O=Cc1ccc(o1)[N+](=O)[O-],mutagenic
+OCc1cccc(c1)[N+](=O)[O-],non-mutagenic
+Oc1ccc(c(c1)C)C,non-mutagenic
+O=CC1=CCCC2(C1(C=O)C2)C,mutagenic
+CSc1ccc(cc1)Cl,non-mutagenic
+ONc1ccc(cc1)C(=O)C,mutagenic
+OC(=O)c1cc(O)c(c(c1)O)O,non-mutagenic
+C=CCN1C2C1c1ccccc1-c1c2cccc1,mutagenic
+Oc1ccc2c(c1O)c(C)c1c(c2)c2ccccc2cc1,mutagenic
+CCC(COC(=O)CCCCC(=O)O)CCC(O)C,non-mutagenic
+[O-][N+](=O)c1ccc(c(c1)N)N,mutagenic
+OCc1c2ccccc2c(c2c1c1ccccc1cc2)COS(=O)(=O)O,mutagenic
+Nc1ccc2c(c1N=Nc1ccc(cc1)c1ccc(cc1)N=Nc1cc(c3c(c1N)cccc3)S(=O)(=O)O)c(O)cc(c2)S(=O)(=O)O,mutagenic
+Oc1cccc2c1C(=O)c1c(C2=O)cccc1O,mutagenic
+OCCCCCCCCCCCCCCCCCC(=O)O,non-mutagenic
+OC1C=Cc2c(C1O)ccc1c2sc2c1cccc2,mutagenic
+CN(c1ccc(cc1)c1ccc(cc1)N(C)C)C,non-mutagenic
+O/N=C(/c1ccc2c(c1)nc([nH]2)NC(=O)OC)\c1ccc(cc1)F,mutagenic
+COc1c(O)c2OC3C(c2c2c1c1CCC(=O)c1c(=O)o2)C=CO3,mutagenic
+Fc1ccc2c(c1)cc1-c3cccc4c3c(-c1c2)ccc4,mutagenic
+N#CC(N=NC(C#N)(C)C)(C)C,non-mutagenic
+C=CC(=O)NCCC[N+](C)(C)C,non-mutagenic
+OC(=O)C[N+](C)(C)C,non-mutagenic
+OCCNCCO,non-mutagenic
+Oc1ccc2c(c1)C(=O)c1c(C2=O)cc(cc1)O,non-mutagenic
+Nc1cc([N+](=O)[O-])c(cc1Cl)N,mutagenic
+COP(=O)([C@@H](C(Cl)(Cl)Cl)O)OC,mutagenic
+O=C1OCCN1/N=C/c1ccc(o1)[N+](=O)[O-],mutagenic
+Clc1cc2Oc3c(Oc2cc1Cl)cc(c(c3Cl)[N+](=O)[O-])Cl,non-mutagenic
+CCCCOCC=O,non-mutagenic
+CCCC[C@H](COC(=O)/C=C/c1ccc(cc1)OC)CC,non-mutagenic
+CS(=O)CCC(=O)N1C(CSC1c1ccccc1O)C(=O)O,non-mutagenic
+CCCCOC(=O)c1ccc(cc1)O,non-mutagenic
+OC1C=Cc2c(C1O)ccc1c2cc2ccccc2c1[N+](=O)[O-],mutagenic
+O/N=C(/c1ccccc1)\N,mutagenic
+Clc1cc(N)c(c(c1)C(=O)O)Cl,mutagenic
+CCOP(=O)(O/C(=C\Cl)/c1ccc(cc1Cl)Cl)OCC,mutagenic non-mutagenic
+Nc1ccc(cc1)N=Nc1cccc(c1N)N,mutagenic
+CC1=C[C@]2(O[C@@H](C1)[C@@H](/C=C/[C@H]1CC[C@]3(O1)CC[C@@H]1[C@@H](O3)[C@H](O)C(=C)[C@H](O1)[C@H](C[C@@H]([C@H]1O[C@@]3(CCCCO3)CC[C@H]1C)C)O)C)O[C@@H](CC[C@@H]2O)C[C@](C(=O)O)(O)C,non-mutagenic
+OC(=O)C(Oc1ccc(cc1)[C@@H]1CC1(Cl)Cl)(C)C,non-mutagenic
+O=C(c1ccc(cc1)N)OCCCOC(=O)c1ccc(cc1)N,non-mutagenic
+CC(COC(=O)/C=C/c1ccc(o1)[N+](=O)[O-])C,mutagenic
+Oc1cnnc(n1)O,mutagenic
+C=Cc1ccccc1C=C,non-mutagenic
+Oc1ccc2c(c1)Oc1c(C32OC(=O)c2c3cccc2)ccc(c1)O,non-mutagenic
+O=C(C(=C)C)OCCOC(=O)C(=C)C,non-mutagenic
+CCCCCCCCCCCC(=O)O,non-mutagenic
+Nc1ccc(cc1)c1ccccc1C,mutagenic
+OC(=O)C(Br)(Br)Br,mutagenic
+CN(c1c(C)n(n(c1=O)c1ccccc1)C)CS(=O)(=O)O,mutagenic
+Ic1cc2cccnc2c(c1)C(=O)O,non-mutagenic
+ClC([C@H]1OC1)(Cl)Cl,mutagenic
+O=S(=O)(N1C2C1c1ccccc1-c1c2cccc1)Cc1ccccc1,mutagenic
+OC1CCCc2c1c([N+](=O)[O-])c1c3c2ccc2c3c(cc1)ccc2,non-mutagenic
+OCc1c(CO)cnc(c1O)C,non-mutagenic
+CC(CCOS(=O)(=O)C)C,mutagenic
+BrC(c1ccccc1)C(=O)NCc1ccccc1,non-mutagenic
+ClC(=O)c1c(Cl)cccc1Cl,mutagenic
+O=C1C=C(N)c2c(C1=O)cccc2,mutagenic
+Cc1cc2ccccc2c(c1)[N+](=O)[O-],mutagenic
+COS(=O)(=O)F,mutagenic
+Clc1ccc(cc1)OC(C(=O)C(C)(C)C)n1cncc1,non-mutagenic
+OCC1OC(C(C1O)O)n1cnc2c1ncnc2N,non-mutagenic
+ClCC(Cl)(Cl)Cl,non-mutagenic
+O=C(c1csc(c1)[N+](=O)[O-])Nc1ccccc1[N+](=O)[O-],mutagenic
+CC(=C)C=O,mutagenic
+c1ccc2c(c1)cc1c(c2)c2Oc2c2c1cccc2,mutagenic
+Clc1cc(Cl)cc(c1Oc1ccc(cc1)[N+](=O)[O-])Cl,mutagenic non-mutagenic
+CC[C@H](c1ccccc1O)C,non-mutagenic
+c1ccc(cc1)Cc1ccccc1OCC1CO1,mutagenic
+CC[n+]1c2ccccc2nc2c1cccc2,mutagenic
+O=CC1=C2C=C(C)OC=C2[C@H]([C@@](C1=O)(C)O)O,mutagenic
+Nc1ccc2c(c1)[n+](C)c1c(c2)cccc1,mutagenic
+[O-][N+](=O)c1cccc2c1cccc2[N+](=O)[O-],mutagenic
+CC(=O)C1c2cccc(c2C(=O)c2c1cccc2O)O,mutagenic
+Clc1cc2Oc3cc(Cl)c(cc3Oc2cc1Cl)Cl,non-mutagenic
+OCC(C(C(C(C1SCC(N1N=O)C(=O)O)O)O)O)O,non-mutagenic
+CCCN(S(=O)(=O)c1ccc(cc1)C(=O)O)CCC,non-mutagenic
+[O-][N+](=O)c1cc(ccc1Cl)C(=O)O,mutagenic
+Clc1cccc(c1NC1=NCCN1)Cl,non-mutagenic
+N#CCCC#N,non-mutagenic
+OC(=O)CN=N#N,non-mutagenic
+C=COCC(F)(F)F,mutagenic
+[O-][N+](=O)c1ccc(cc1)Nc1[nH]cnc2-c1ncn2,non-mutagenic
+OC(=O)C[C@@H](C(=O)O)Cl,non-mutagenic
+Oc1ccc(cc1)C(=O)/C=C/c1ccccc1,non-mutagenic
+Clc1ccccn1,mutagenic
+OC1=C(C2=C(O)C(=C(C(=O)C2=O)C)O)C(=O)C(=O)C(=C1O)C,non-mutagenic
+COc1cc(N)c2c(c1N)C(=O)c1c(C2=O)cccc1,mutagenic
+C[C@H](OC(=O)C)CN(C[C@@H](OC(=O)C)C)N=O,mutagenic
+Oc1cc2ccc3c4c2c(n1)ccc4ccc3,mutagenic
+[O-][N+](=O)c1ccc2c3c1c1CCCCc1c1c3c(cc2)ccc1[N+](=O)[O-],mutagenic
+C[Si](N[Si](C)(C)C)(C)C,non-mutagenic
+Cc1ccc2c(c1)c(C)c1c(n2)c2ccccc2cc1,mutagenic
+ClCc1cnc(nc1Cl)Cl,mutagenic
+COc1cccc(c1)NC(=O)c1csc(c1)[N+](=O)[O-],mutagenic
+Oc1ccc(c2c1C(=O)c1ccccc1C2=O)N,mutagenic
+c1ccc(cc1)c1ccccc1,non-mutagenic
+[O-][N+](=O)c1ccc2c(c1)Oc1c(O2)cc(cc1)[N+](=O)[O-],mutagenic
+OC1C(O)c2cc3c(cc2-c2c1cccc2)ccc1c3cccc1,mutagenic
+CCC1=C(O)C(=O)c2c(C1=O)c(O)c(c(c2O)O)O,mutagenic
+N1CCNCC1,non-mutagenic
+O=C1C=CC(=O)c2c1nc(C)c1c2[nH]c2c1cccc2,mutagenic
+Cc1ccc2c(c1)cccc2[N+](=O)[O-],mutagenic
+O1CCOCCOCCOCCOCC1,non-mutagenic
+C=CCc1ccccc1OCC(CNC(C)C)O,non-mutagenic
+[O-][N+](=O)c1ccc2c3c1c1ccccc1c1c3c(cc2)ccc1,mutagenic
+CCOP(=S)(S[C@@H]1OCCO[C@H]1SP(=S)(OCC)OCC)OCC,mutagenic
+OC/C=C(/CCC=C(C)C)\C,non-mutagenic
+Clc1ccc(c(c1)[N+](=O)[O-])Cl,mutagenic
+Nc1cccc2c1-c1ccccc1C2,mutagenic
+OC1CCC2(C(C1)CCC1C2CCC2(C1CCC(=O)N2)C)C,non-mutagenic
+OCCCNP(=O)(N(CCCl)CCCl)O,mutagenic
+OCC(Cl)(Cl)Cl,mutagenic
+CCCCNc1snc2c1cccc2,non-mutagenic
+O=CNc1ccccc1,non-mutagenic
+CCCCOc1ccc(cc1)/C=N/c1ccc(cc1)CC,mutagenic
+CC(C1=CC(=O)C(=CC1=O)C)C,non-mutagenic
+OC1OC(=O)C(=C1Cl)Cl,mutagenic
+Fc1ccc2c(c1)cccn2,mutagenic
+C=Cc1ccc(cc1)[N+](=O)[O-],mutagenic
+COC(=O)c1occ(c1c1ccccc1)c1ccccc1,non-mutagenic
+CN=[N+](C)[O-],mutagenic
+CCC(=O)OCc1ccc(cc1)[N+](=O)[O-],mutagenic
+CCC(c1cc(cc(c1O)[N+](=O)[O-])[N+](=O)[O-])C,non-mutagenic
+CSCC[C@@H](C(=O)OCC)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(cc1)F)N)Cc1cccc(c1)N(CCCl)CCCl,mutagenic
+O1C2C1c1cscc1-c1c2csc1,mutagenic
+CC(OC(=O)c1cc(ccc1N)Cc1ccc(c(c1)C(=O)OC(C)C)N)C,non-mutagenic
+OC1C=Cc2c(C1O)ccc1c2nccc1,mutagenic
+c1ccc2c(c1)cc1c(c2)c2cnccc2cc1,mutagenic
+Oc1cccc2c1C(=O)c1c(C2)cccc1O,non-mutagenic
+Nc1cccc2c1c(N)ccc2,mutagenic
+CC(=O)c1cccn1[N+](=O)[O-],mutagenic
+SCc1ccccc1,non-mutagenic
+Nc1ccc(c(c1)[N+](=O)[O-])c1ccc(cc1N)[N+](=O)[O-],mutagenic
+Brc1cc2c(c(c1O)Br)Oc1c(C32OS(=O)(=O)c2c3cccc2)cc(c(c1Br)O)Br,mutagenic
+CC(=O)Nc1ccc(cc1)C,mutagenic
+Nc1ncnc2c1ncn2C(c1ccccc1)c1ccccc1,mutagenic
+Br/C=C/c1cn(C2CC(C(O2)CO)O)c(=O)[nH]c1=O,non-mutagenic
+N#Cc1ccc(cc1)C(=O)ON(C(=O)c1ccccc1)OCc1ccccc1,mutagenic
+OCC1C=CC(C1)n1cnc2c1nc(N)nc2O,non-mutagenic
+COC(=O)c1c2C=CC(Oc2c2c(c1O)cccc2)(C)C,mutagenic
+C=CC(=O)OC(C)(C)C,non-mutagenic
+Nc1c2C(=O)c3ccccc3C(=O)c2c(cc1S(=O)(=O)O)NC1CCCCC1,non-mutagenic
+CCCC[C@@H]1C(=O)N(N(C1=O)c1ccc(cc1)O)c1ccccc1,mutagenic
+BrC[C@H]([C@@H]([C@@H]([C@H](CBr)O)O)O)O,mutagenic
+CCc1nc2c(nc1CC)ccc(c2C)NC,mutagenic
+O=C(C(Br)(C)C)NCc1ccccc1,non-mutagenic
+COP(=O)OC,mutagenic
+NC(=O)NO,mutagenic
+CC(CCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCC(C)C)C,non-mutagenic
+[O-][N+](=O)c1n(C)cnc1c1ccccc1,mutagenic
+CNc1ccc2c(c1)c1cc(O)ccc1cc2,mutagenic
+BrCC(=O)c1oc(c(c1c1ccccc1)c1ccccc1)[N+](=O)[O-],mutagenic
+CCN(c1ccc2c(c1)oc(=O)cc2C)CC,non-mutagenic
+Clc1cccc(c1)NC(=O)c1csc(c1)[N+](=O)[O-],mutagenic
+O=C1c2ccccc2C(=O)c2c1c(O)c(c(c2)O)O,mutagenic
+Oc1cc(Cl)cc(c1)Cl,non-mutagenic
+ClCc1c2ccccc2cc2c1cccc2,mutagenic
+CC(=C)C1CCC(=C)C2C1C=C(C)C(=O)C1=C2C(=O)C(C1)(C)O,non-mutagenic
+CCCCBr,mutagenic
+Cc1cc(C)c(cc1C)C,non-mutagenic
+Nc1cc(N)c(c(c1)[N+](=O)[O-])c1ccccc1,mutagenic
+CCc1cccc(c1)NC(=O)c1csc(c1)[N+](=O)[O-],mutagenic
+COc1ccc(cc1)[Se]c1ccc(cc1)OC,mutagenic
+c1cc2[C@@H]3N[C@@H]3c3c2c(c1)ccc3,mutagenic
+O=C1c2cc(ccc2-c2c1cc(cc2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],mutagenic
+CCOC(=O)COc1ccc2c(c1)oc(cc2=O)c1ccccc1,non-mutagenic
+Clc1ccc(cc1)CO[C@@H](c1ccc(cc1Cl)Cl)Cn1cncc1,non-mutagenic
+c1cccs1,non-mutagenic
+CC(F)(F)F,non-mutagenic
+CCCCOB(OCCCC)OCCCC,non-mutagenic
+O=C1CCCCCCCCCCCC(=O)OCCO1,non-mutagenic
+[O-][N+](=O)NC(=N)N(N=O)CCC,mutagenic
+OC=O,non-mutagenic
+OCC(COc1ccc(cc1)C(c1ccc(cc1)OCC1CO1)(C)C)O,mutagenic
+Oc1ccc(cc1Cc1cc(Cl)ccc1O)Cl,mutagenic
+CBr,mutagenic
+OCCCC1(O)CCC2C1(C)CC(c1ccc(cc1)N(C)C)C1=C3CCC(=O)C=C3CCC21,non-mutagenic
+ClCCCc1cn(C2CC(C(O2)CO)O)c(=O)[nH]c1=O,non-mutagenic
+CCCC=O,non-mutagenic
+CCCCCC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)CCCCC,mutagenic
+Cc1ccc2c(c1)ccc(c2)[N+](=O)[O-],mutagenic
+[O-][n+]1ccc(cc1)[N+](=O)[O-],mutagenic
+ClC(=C(Cl)Cl)C(=C(Cl)Cl)Cl,non-mutagenic
+n1ccc2c(c1)cc1c(c2)c2ccccc2cc1,mutagenic
+ClNc1ccc2-c3c(Cc2c1)cccc3,mutagenic
+[O-][N+](=O)c1cnc2c(c1)nc1n2cccc1,mutagenic
+Cc1ccc(c2c1c1ccccc1[nH]2)C,mutagenic
+Cc1cc2ncccc2c2c1n(C)cn2,non-mutagenic
+C/C=C\1/C[C@H](C)[C@@](O)(CO)C(=O)OCC2=CCN3[C@@H]2[C@H](OC1=O)CC3,mutagenic
+CC(CNc1snc2c1cccc2)C,non-mutagenic
+[O-][N+](=O)c1ccc2c(-c3ccccc3C2=O)c1,mutagenic
+Nc1ccc2-c3c(Cc2c1)cccc3,mutagenic
+CN(c1ccc(cc1)N=Nc1ccc2c(c1)cn[nH]2)C,mutagenic
+BrCc1c2ccc3c4c2c(c2c1cccc2)ccc4ccc3,mutagenic
+[O-][N+](=O)c1ccc(o1)/C=C(/C(=O)OC)\C#N,mutagenic
+Cc1cc(C)c2c(c1)ccc1c2cccc1,mutagenic
+OC(=O)c1ccc(cc1N)[N+](=O)[O-],mutagenic
+CC(C(O)C)O,non-mutagenic
+CCC1(OCCc2c1[nH]c1c2cccc1C)CC(=O)O,non-mutagenic
+Nc1cc(N)c(cc1N=Nc1ccc(cc1)c1ccc(cc1)N=Nc1ccc(c(c1)C(=O)O)O)N=Nc1ccc(cc1)S(=O)(=O)O,mutagenic
+[O-][N+]1(C)CCC(=CC1)c1ccccc1,non-mutagenic
+CC(=O)Nc1ccc(c2c1C(=O)c1c(C2=O)cccc1)NC(=O)C,mutagenic
+COc1cc2c(cc1OC)N1[C@@H]3[C@@]42CCN2[C@@H]4C[C@H]4[C@H]3[C@@H](CC1=O)OCC=C4C2,non-mutagenic
+CNc1c(C)cc2c(c1N)cccn2,non-mutagenic
+COc1nncc2c1cccc2,non-mutagenic
+CCC1OC(=O)C(C)C(OC2OC(C)C(C(C2)(C)OC)O)C(C)C(OC2OC(C)CC(C2O)N(C)C)C(CC(CN(C(C(C1(C)O)O)C)C)C)(C)O,non-mutagenic
+Clc1ccc(c(c1)C(=O)O)O,non-mutagenic
+O=NN1C[C@H](C)C(=O)NC1=O,mutagenic
+ClCc1cc2c3ccccc3cc3c2c2c1cccc2cc3,mutagenic
+CC(c1ccc(c2-c(c1)c(C)cc2S(=O)(=O)O)C)C,non-mutagenic
+COc1ccc(cc1)[N+](=O)[O-],mutagenic
+c1cc2C=Cc3c2c(c1)cc1c3ccc2c1C=C[C@@H]1[C@H]2O1,mutagenic
+O=C1CCCc2c1ccc1c2ccc2c1cccc2,mutagenic
+Nc1cccc(c1)N,mutagenic
+O=NN1CCN(CC1)N=O,mutagenic
+C[N+](Cc1ccccc1)(C)C,non-mutagenic
+O=C=Nc1cccc2c1cccc2N=C=O,non-mutagenic
+CCCCCCCCCCCCS,non-mutagenic
+COc1cccc2c1cc1NC(=O)c3c1c2c1OCOc1c3,mutagenic
+S1CCSCC1,mutagenic
+O=C([C@@H]1OC1(C(=O)N)C(=O)N)c1ccccc1,mutagenic
+CCCCCn1cc2c3c1cccc3[C@@H]1[C@@H](C2)N(C)CC(=C1)C,mutagenic
+Nc1ccc(cc1C)Cc1ccc(c(c1)C)N,mutagenic
+O=CC(Cl)(Cl)Cl,mutagenic
+CCCCCC/C=C\CCCCCCOC(=O)C,non-mutagenic
+Oc1ccc2c(c1)cccc2S(=O)(=O)O,non-mutagenic
+CC1CCCC(=O)CCCCCc2c(C(=O)O1)c(O)cc(c2)O,non-mutagenic
+CC/C(=C(\c1ccc(cc1)O)/CC)/c1ccc(cc1)O,non-mutagenic
+CCN(c1ccc(cc1)N=Nc1ccc(cc1)[N+](=O)[O-])CC,mutagenic
+Nc1ccc2c(c1)cccn2,non-mutagenic
+OC(=S)c1ccccc1,non-mutagenic
+CCOP(=O)(Oc1cc(C)nc(n1)C(C)C)OCC,mutagenic
+COC(CCOC(=O)C)C,non-mutagenic
+OCC(C(C(C(C(=O)O)O)O)O)O,non-mutagenic
+CCOC(=O)c1[nH]c2c(c1/N=C/c1ccc(cc1)O)cccc2,mutagenic
+OC(=O)CNC(=O)c1ccc(cc1)[N+](=O)[O-],mutagenic
+O=c1[nH]c(=O)[nH]c(=O)[nH]1,non-mutagenic
+Oc1ccc2c(c1N=Nc1ccc(cc1)S(=O)(=O)O)c(cc(c2)S(=O)(=O)O)S(=O)(=O)O,non-mutagenic
+CCCCCC(=O)OC1(CCC2C1(C)CCC1C2CCC2=CC(=O)CCC12)C(=O)C,non-mutagenic
+O=NN1CCC[C@@H](C1)O,mutagenic
+ClCC(=O)c1ccc(cc1Cl)Cl,mutagenic
+[O-][N+](=O)c1ccc(cc1)CNc1[nH]cnc2-c1ncn2,mutagenic non-mutagenic
+Nc1ccc2c3c1-c1ccccc1-c3ccc2,mutagenic
+CC(=O)OCc1ccc(cc1)N=Nc1ccc(cc1)COC(=O)C,mutagenic
+BrCC(C(OP(=O)(OC(C(CBr)Br)C)OC(C(CBr)Br)C)C)Br,mutagenic
+O[C@@H]1C=Cc2c([C@H]1O)c1ccc3c(c1cc2)cccc3,mutagenic
+O(CC1CCC2C(C1)O2)CC1CCC2C(C1)O2,mutagenic
+ON1c2ccccc2C(=O)C1(C)c1ccccc1,non-mutagenic
+c1ccc2c(c1)ccc1c2cc2c(c1)ccc1c2cccc1,mutagenic
+COc1cc(OC)c2c(c1)OC1C2C=CO1,mutagenic
+BrCC(Br)(Br)Br,mutagenic
+C[n+]1cccc2c1C=C[C@@H]1[C@H]2O1,mutagenic
+CNN=NC,mutagenic
+N#N=Nc1nc2c(n1C)c(C)cc1c2cccn1,mutagenic
+COC(=O)C1=C(C)N=C(C(=C(OCCc2ccc(cc2)N2CCN(CC2)C(c2ccccc2)c2ccccc2)O)C1c1cccc(c1)[N+](=O)[O-])C,non-mutagenic
+OC1C=Cc2c(C1O)ccc1c2cc2ccccc2c1Cl,mutagenic
+O=c1c2cc3ccccc3c3c2c2c(c1=O)cccc2cc3,mutagenic
+Cc1ccc2c(c1)ccc1c2c2c([nH]1)ccc1c2cccc1,mutagenic
+CN(C(=S)N(C)C)C,non-mutagenic
+CCCCCCCCCCCCCCN(c1ccc2-c3c(Cc2c1)cccc3)OC(=O)C,mutagenic
+C=C=O,mutagenic
+OC1C2OC2c2c(C1O)ccc1c2ccc[n+]1[O-],non-mutagenic
+C=Cc1ccccc1Cl,non-mutagenic
+BrCc1cc2cccc3-c4c(-c(c1)c23)cccc4,mutagenic
+ClCCc1cn(C2CC(C(O2)CO)O)c(=O)nc1N,non-mutagenic
+NC(=S(=O)=O)N,mutagenic
+Fc1cnc2c(c1)ccc1c2cc(F)cn1,non-mutagenic
+O=CN(/C(=C(\SC(=O)c1ccccc1)/CCOC(=O)c1ccccc1)/C)Cc1cnc(nc1N)C,non-mutagenic
+OC[C@@H]1O[C@H](O[C@H]([C@@H](C(=O)N[C@@H]([C@H]([C@@H](C(=O)N[C@H](C(=O)NCCc2scc(n2)c2scc(n2)C(=O)O)[C@H](O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)c2nc[nH]c2)[C@H]([C@H]([C@H]1O)O)O[C@H]1O[C@H](CO)[C@H]([C@@H]([C@@H]1O)OC(=O)N)O,non-mutagenic
+Nc1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-],mutagenic
+O=C1C=CC(=O)c2c1c(O)c(c(c2O)Cl)Cl,mutagenic
+OCCOCCOC1CCC2(C(=CCC3C2CCC2(C3CCC2C(CCCC(C)C)C)C)C1)C,non-mutagenic
+O=CN(c1ccc(cc1)Oc1ccc(cc1)NC(=O)C)O,mutagenic
+Brc1cccc(c1)NC(=O)c1csc(c1)[N+](=O)[O-],mutagenic
+Fc1cnc2c(c1)cccc2,non-mutagenic
+[O-][N+](=O)c1c(C)cccc1C(=O)O,mutagenic
+O=C(/C=C/c1ccccc1)OC/C=C/c1ccccc1,mutagenic
+CCOP(=S)(OP(=S)(OCC)OCC)OCC,mutagenic
+O/N=C/c1cccc[n+]1COC[n+]1ccc(cc1)C(=O)N,non-mutagenic
+O[C@H]1[C@H](O)c2nc3ccc4c(c3cc2-c2c1cccc2)cccc4,non-mutagenic
+CC(CN(CC(C)C)CC(C)C)C,non-mutagenic
+[O-][N+](=O)c1c2[nH]c3c(c2cc(c1O)[N+](=O)[O-])cccc3,mutagenic
+BrCc1ccc(cc1)Br,non-mutagenic
+O=Cc1c(Cl)cccc1Cl,non-mutagenic
+CNc1nc2c(n1C)ccc1c2cccn1,mutagenic
+ClCC1(C(Cl)Cl)C2C(C(C1(C(Cl)Cl)C(C2Cl)Cl)Cl)Cl,non-mutagenic
+NCCN,mutagenic
+Nc1sc2c(n1)C1CCCNC1CC2,non-mutagenic
+O[C@@H]([C@@H](C(=O)O)O)C(=O)O,non-mutagenic
+OC[C@H]1O[C@@H](Oc2cc(O)cc3c2c(=O)c2c(o3)c(O)ccc2O)[C@@H]([C@H]([C@@H]1O)O)O,mutagenic
+c1scc(n1)c1nc2c([nH]1)cccc2,mutagenic non-mutagenic
+CCCCOc1ccc(cc1)CC(=O)NO,mutagenic
+[O-][N+](=O)c1nc2c([nH]1)cccc2,mutagenic
+Nc1ccc2c(n1)n1cccc(c1n2)C,mutagenic
+Nc1ccc(c(c1)[N+](=O)[O-])c1ccc(cc1[N+](=O)[O-])N,mutagenic
+[O-][N+](=O)c1ccc2c(c1)cc(c1c2cc(cc1)[N+](=O)[O-])[N+](=O)[O-],mutagenic
+NC(=O)c1cccc(c1)[N+](=O)[O-],mutagenic
+Cc1ccc2c(c1)ccc(=O)o2,non-mutagenic
+OC1CCC2(C(=CCC3C2CCC2(C3CCC2=O)C)C1)C,non-mutagenic
+ONc1ccccc1,mutagenic
+[O-][N+](=O)c1ccc2c(c1)c1cc([N+](=O)[O-])c(c(c1[nH]2)[N+](=O)[O-])O,mutagenic
+ONc1ccc(cc1)C,mutagenic
+COc1ccccc1[N+](=O)[O-],mutagenic
+Oc1nncc2c1cccc2,non-mutagenic
+Cc1cc(C)c(c(c1)C)N,mutagenic
+CC(C1=CC(=CC=C2C=C(C(=O)C(=C2)C(C)(C)C)C(C)(C)C)C=C(C1=O)C(C)(C)C)(C)C,non-mutagenic
+[O-][N+](=O)c1ccc(o1)/C=N/n1c(=O)cc(cc1c1ccccc1)c1ccccc1,mutagenic
+O=C1COC(=C1O)C,mutagenic
+[O-][N+](=O)[C@@H](CC)Cl,mutagenic
+COC(=O)c1cc(ccc1N)Cc1ccc(c(c1)C(=O)OC)N,mutagenic
+[O-][N+](=O)c1ccc(o1)CNCCO,mutagenic
+COc1cc(c(c(c1)C(C)(C)C)O)C(c1ncc(n1C)[N+](=O)[O-])O,mutagenic
+[O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])O,mutagenic
+Oc1ccc(cc1)C1CC(=O)c2c(O1)cc(cc2O)O,non-mutagenic
+COc1cc(CCC(=O)C)ccc1O,non-mutagenic
+CN[C@@H]([C@H](c1ccccc1)O)C,non-mutagenic
+NCCc1ccc(c(c1)O)O,mutagenic
+CCCC/C=C/C=O,mutagenic
+COC(=O)c1cccc2c1c(=O)c1c(o2)c2c(cc1OC)O[C@H]1[C@H]2C=CO1,mutagenic
+CC1=CC(O)C2CC1C2(C)C,non-mutagenic
+ICCc1ccc(cc1)OCc1ccccc1,mutagenic
+CCOC(=O)c1[nH]c2c(c1/N=C/c1cc(OC)c(c(c1)OC)OC)cccc2,mutagenic
+O=C1N[C@H](Nc2c1cccc2)c1ccc(s1)[N+](=O)[O-],mutagenic
+C=CC(=O)N1CCN(CC1)c1ccccc1,non-mutagenic
+CC(=O)c1ccc(s1)[N+](=O)[O-],mutagenic
+n1ccncc1,non-mutagenic
+CC1c2ccccc2-c2c1cccc2,mutagenic
+CC(c1cc(Br)c(c(c1)Br)O)(c1cc(Br)c(c(c1)Br)O)C,non-mutagenic
+COC=C,non-mutagenic
+OC1C(OC(C(C1O)O)COC1OCC(C(C1O)O)O)Oc1ccc2c(c1O)C(=O)c1c(C2=O)cccc1,non-mutagenic
+ClC(C(=O)O)Cl,mutagenic
+O=C1c2ccccc2-c2c3c1cccc3ccc2,mutagenic
+BrC(C(Br)C)COP(=O)(OCC(C(Br)C)Br)OCC(C(Br)C)Br,mutagenic
+CCOCN(c1c(C)cccc1CC)C(=O)CCl,non-mutagenic
+[O-][N+](=O)c1ccccc1S(=O)(=O)O,non-mutagenic
+CCCCCCC(=O)OCC,non-mutagenic
+CC(OC(Cl)(C)C)(Cl)C,mutagenic
+CCOc1ccc(cc1)N=[N+](c1ccc(cc1)OCC)[O-],non-mutagenic
+Oc1ccc2c(c1)ccc1c2c2c([nH]1)ccc1c2cccc1,mutagenic
+O=C1c2c(cccc2C(=O)c2c1cccc2S(=O)(=O)O)[N+](=O)[O-],mutagenic
+CC(=C)C(=O)OC[C@H]1CO1,mutagenic
+Cc1ccc2c(c1)C1C(=N2)N(C)c2c(C1C)cccc2,mutagenic
+[O-][N+](=O)c1ccc(o1)/C=N/N1CC(NC1=O)C,mutagenic
+COC(=O)C(NC(=O)C)CSCC(c1ccccc1)Br,non-mutagenic
+Cc1cc(ccc1N=Nc1c(O)c2c(N)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O)c1ccc(c(c1)C)N=Nc1c(O)c2c(N)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O,mutagenic
+ClCC(=O)c1ccc(cc1)NC(=O)C,mutagenic
+OCNC(=O)CCl,non-mutagenic
+ClCc1ccc(cc1)c1nc2-c(c1)c([nH]cn2)N[C@@H](c1ccccc1)C,mutagenic
+O=CC1=CC2(O)CC(CC2C(C=C1C=O)C)(C)C,mutagenic
+COc1cc(c(cc1N=Nc1c(O)ccc2c1ccc(c2)S(=O)(=O)O)C)S(=O)(=O)O,non-mutagenic
+c1ccc2c(c1)c1Cc3ccc4c(c3Cc1cc2)cccc4,mutagenic
+OCC1(C)C=C2C(=C(C)C3(C(C2=O)(C)O)CC3)C1O,mutagenic
+OCCI,mutagenic
+C=CC(c1cc2cc3CC(Oc3cc2oc1=O)C(OC(=O)C)(C)C)(C)C,non-mutagenic
+Clc1ccc(cc1)S(=O)O,non-mutagenic
+O=C1NC(=O)NC1(c1ccccc1)c1ccccc1,non-mutagenic
+Oc1ccccc1c1nc2c(o1)cccc2,non-mutagenic
+ClCCC(=O)N(c1snc2c1cccc2)CC(C)C,non-mutagenic
+O=C=Nc1ccc(cc1OC)c1ccc(c(c1)OC)N=C=O,mutagenic
+ClCC(=O)OC(P(=O)(OC)OC)C(Cl)(Cl)Cl,non-mutagenic
+[O-][N+](=O)c1cc(cc(c1O)[N+](=O)[O-])C(F)(F)F,non-mutagenic
+CCCCN(CCC(=O)O)N=O,mutagenic
+Clc1ccc2c(c1)oc1c2cccc1,mutagenic
+COc1cc(OC)c(cc1C1OC1C)OC,mutagenic
+NNc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],mutagenic
+COc1c2OCOc2cc2c1nc1occc1c2OC,mutagenic
+Oc1ccc(cc1)Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],mutagenic
+CCC(=O)C1c2cccc(c2C(=O)c2c1cccc2O)O,mutagenic
+OS(=O)(=O)c1ccc2c(c1)c(N=Nc1ccc(c(c1)C(=O)O)O)ccc2N=Nc1ccc(cc1)c1ccc(cc1)N=Nc1ccc(c(c1)C(=O)O)O,mutagenic
+[O-][N+](=O)c1cc(ccc1Cl)NS(=O)(=O)c1cccc2c1nccc2,non-mutagenic
+CC(=O)N(c1ccc(cc1)[N+](=O)[O-])O,mutagenic
+CCCCCCCCCC(=O)O,non-mutagenic
+NC(C(=O)O)CSC(C(Cl)F)(F)F,non-mutagenic
+COc1c2ccc(=O)oc2c(c2c1cco2)OC,non-mutagenic
+CNC(=O)Oc1cccc2c1OC(C2)(C)C,non-mutagenic
+NC(C(=O)OC(C)(C)C)CN=N#N,mutagenic
+CCCCOC(=O)COc1ccc(cc1Cl)Cl,non-mutagenic
+Nc1ccc(c(c1Cl)Cl)Cl,non-mutagenic
+Cc1cc2cccc3c2c2c1cc1ccccc1c2cc3,mutagenic
+C/C=C\C=C,non-mutagenic
+Clc1cccc2c1nccc2,mutagenic
+OCCNCCNc1ccc(c2c1C(=O)c1c(C2=O)c(O)ccc1O)NCCNCCO,mutagenic
+CN(CCO[C@@H](c1ccccc1C)c1ccccc1)C,non-mutagenic
+CC[C@]1(OCCc2c1[nH]c1c2ccc(c1CC)O)CC(=O)O,mutagenic
+O=C1CC[C@]2(C(=C1)CC[C@@H]1[C@@H]2CC[C@]2([C@@H]1CC[C@@H]2C(=O)C)C)C,non-mutagenic
+[O-][N+](=O)c1ccc(c(c1C)[N+](=O)[O-])C,mutagenic
+Nc1cc(N)c(cc1N=Nc1ccc(cc1)S(=O)(=O)O)C,mutagenic
+CC[N+](=C1C=CC(=C(c2ccc(cc2)S(=O)(=O)O)c2ccc(cc2)N(Cc2cccc(c2)S(=O)(=O)O)CC)C=C1)Cc1cccc(c1)S(=O)(=O)O,mutagenic
+Nc1cc2cccc3-c4c(-c(c1)c23)cccc4,mutagenic
+Cc1c2cc(C)c3c(c2nc2c1cccc2)cccc3,mutagenic
+O=C/C(=C(/C(=O)O)\Br)/Br,mutagenic
+O=C1CSC(=S)N1,non-mutagenic
+N#C/C(=N\OC(=O)OC(C)(C)C)/c1ccccc1,non-mutagenic
+BrCC=C,mutagenic
+CCC(n1c(=O)[nH]c(c(c1=O)Br)C)C,non-mutagenic
+[O-][N+](=O)c1ccc(o1)c1cscn1,mutagenic
+NC(=N)NN=C(/C=C\c1ccc(o1)[N+](=O)[O-])/C=C\c1ccc(o1)[N+](=O)[O-],mutagenic
+O=S1OC[C@H]2[C@H](CO1)[C@@]1(C([C@@]2(Cl)C(=C1Cl)Cl)(Cl)Cl)Cl,non-mutagenic
+Clc1ccc(c(c1)Cl)Cl,non-mutagenic
+N#C[C@@H]1COCCN1[C@H]1C[C@@H](O[C@H]([C@H]1O)C)O[C@H]1C[C@@](O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)c(OC)ccc2)C(=O)CO,non-mutagenic
+O=NN(Cc1cccc(c1)OC)C,mutagenic
+[C-]#[O+],non-mutagenic
+CCCCOc1ccc2c(n1)c(NCCCNCCCl)c1c(n2)cc(cc1)Cl,mutagenic
+Cc1cc(C)cc(c1)N,mutagenic
+Oc1c(Cl)cc(c(c1Cl)Cl)Cl,non-mutagenic
+CC(=O)Oc1cccc2c1nccc2,non-mutagenic
+Fc1cc(F)c2c(c1)nccc2,mutagenic
+CCCCCCCCCCOC(=O)C(=C)C,non-mutagenic
+O=C(c1ccccc1)C(=O)C,non-mutagenic
+Cc1ccc2c(c1)c(C)c1c(c2)cccc1,mutagenic
+OCC1OC(CC1O)n1cnc2c1ncnc2N,non-mutagenic
+CC(S)C,non-mutagenic
+Clc1cccc2c1cc1ccccc1c2,non-mutagenic
+c1ccc2c(c1)c1ccc3c4c1c(c2)sc4ccc3,mutagenic
+CC(=O)Nc1ccc2c3c1ccc1c3c(cc2)c(cc1)O,mutagenic
+Cc1ccc(cc1)Nc1ccc(c2c1C(=O)c1ccccc1C2=O)O,non-mutagenic
+CC(=O)N(c1ccc(c(c1)Cl)Cl)O,non-mutagenic
+OCc1ccc2c(c1)c(CO)c1c(n2)c2ccccc2cc1,mutagenic
+ClC(c1ccccc1)C(=O)NCc1ccccc1,mutagenic
+O=C[C@H]([C@H]([C@@H]([C@H](O)C)N)O)O,non-mutagenic
+Clc1c2Oc3c(Oc2c(c(c1Cl)Cl)Cl)c(Cl)c(c(c3Cl)Cl)Cl,non-mutagenic
+OCC1OC(CC1O)n1cc(C=O)c(=O)[nH]c1=O,non-mutagenic
+O1C(C1c1ccccc1)c1ccccc1,non-mutagenic
+OCc1cc2cccc3c2c2c1c1ccccc1cc2cc3,non-mutagenic
+OC1C2OC2c2c(C1O)ccc1c2ccc2c1CCC2,mutagenic
+Cc1nccc2c1[nH]c1c2cccc1,mutagenic
+O=NN1C(Cc2c(C1C)[nH]c1c2cc(cc1)[N+](=O)[O-])C(=O)OC,mutagenic
+CCN(c1ccc(cc1)N=Nc1ccc(cc1Cl)[N+](=O)[O-])CC[N+](C)(C)C,mutagenic
+COc1ccc2c(c1)oc(=O)cc2CBr,non-mutagenic
+Nc1ccc2c(c1)nc1c(n2)cc(cc1)N,mutagenic
+Nc1ccc2-c3c(Cc2c1C(C)(C)C)cccc3,non-mutagenic
+c1ccc2c(c1)cccc2,non-mutagenic
+COc1ccc(cc1)O,non-mutagenic
+Oc1ccc2c(c1)c1c(cc2)ccc2c1CCN2C,mutagenic
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)c2c(c1)CCC=C2,mutagenic
+C[C@H](CNC[C@H](O)C)O,non-mutagenic
+c1ccc2c(c1)[nH]cn2,non-mutagenic
+OC(=O)C(NC(=O)COc1cc(Cl)c(cc1Cl)Cl)CCC(=O)O,non-mutagenic
+COP(=O)(SC)OC,non-mutagenic
+CCc1ccnc2c1cccc2,non-mutagenic
+CCCOC(c1ccccc1)(c1ccccc1)C(=O)OC1CCN(CC1)C,non-mutagenic
+[O-][N+](=O)[CH-]CCC,non-mutagenic
+Oc1ccc(cc1)C1(CCCCC1)c1ccc(cc1)O,non-mutagenic
+CCOP(=S)(Oc1nn(c(n1)Cl)C(C)C)OCC,mutagenic
+OC(=O)/C=C/c1ccc(cc1)N,non-mutagenic
+ClCc1ccc(cc1)F,non-mutagenic
+Cc1ccc(c(c1)C)C,non-mutagenic
+CCOCC(=O)O,non-mutagenic
+ONc1ccc(cc1)Oc1ccccc1,mutagenic
+NC(C(=O)O)Cc1ccccc1,non-mutagenic
+Nc1ccc(cc1N)c1ccc(c(c1)N)N,mutagenic
+Cc1cc2c(O)cccc2c2c1cc1ccccc1c2,mutagenic
+COc1ccc(cc1OC)C(=O)N1CCN(CC1)c1ccc2c(c1)CCC(=O)N2,non-mutagenic
+CCCC(=O)OCC,non-mutagenic
+OC1CCC2(C(C1)CCC1C2CC(=O)C2(C1CCC2C(CCC(=O)O)C)C)C,non-mutagenic
+[O-][N+](=O)c1ccc2c3c1C=Cc3ccc2,mutagenic
+C=CC(=O)OCC(COC(=O)C=C)(C)C,non-mutagenic
+O=C1C=Cc2c(C1=O)c1ccc3c(c1cc2)cccc3,mutagenic
+Oc1cccc(c1C)O,non-mutagenic
+Cc1cc(ccc1N=Nc1c(O)ccc2c1cccc2)N=Nc1ccccc1C,mutagenic
+N#N=Nc1ccc2c(c1)nc1c(c2Nc2ccc(cc2OC)NS(=O)(=O)C)cccc1,mutagenic
+C=C1C(=O)O[C@H]2[C@@H]1[C@H](O)[C@@]1(C)C(=O)C=C[C@H]1[C@@H](C2)C,non-mutagenic
+CC(OS(=O)(=O)c1ccc(cc1)C)C,mutagenic
+Nc1cccc2c1nc1c(N)cccc1n2,non-mutagenic
+CN(CC[C@H](c1ccccn1)c1ccccc1)C,non-mutagenic
+Clc1ccc(cc1)[N+](=O)[O-],mutagenic
+CCc1cnccn1,non-mutagenic
+Nc1scc(n1)c1scc(c1)[N+](=O)[O-],mutagenic
+ClC/C(=C(/C(=O)O)\Cl)/C(Cl)Cl,mutagenic
+O=Cc1ccc(cc1)N,non-mutagenic
+OS(=O)(=O)OCc1c2ccccc2cc2c1ccc1c2cccc1,mutagenic
+Oc1ccc(c2c1C(=O)c1c(Cl)ccc(c1C2=O)O)Cl,mutagenic
+OS(=O)(=O)ONNCCc1ccccc1,mutagenic
+OCc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],mutagenic
+CNc1ccc2c(c1C)nc(cn2)C,mutagenic
+CC(=O)Nc1cccc2c1cccn2,non-mutagenic
+OC(=O)CC(C(=O)O)O,non-mutagenic
+OC1C=Cc2c(C1O)ccc1c2nc2ccc(cc2c1C)C,mutagenic
+C1CN=C(N1)N/N=C/c1c2ccccc2c(c2c1cccc2)/C=N/NC1=NCCN1,mutagenic
+COc1c(OC)cc2c3c1-c1ccccc1C(=O)c3ncc2,mutagenic
+CCOc1cccc2c1nccc2,non-mutagenic
+O=C(c1ccccc1)/C=C/c1ccccc1,non-mutagenic
+CCOC(=O)CCl,non-mutagenic
+C#CCOCC[n+]1ccccc1/C=N/O,non-mutagenic
+O=C1C=C(C)C(=O)C(=C1)C,non-mutagenic
+ClCCN(CCCl)CCCl,non-mutagenic
+[O-][N+](=O)c1ccc2c(c1)c1ccccc1[nH]2,mutagenic
+NC(C(=O)O)CN=N#N,mutagenic
+Oc1ccc2c(c1)nc(n2C)N,non-mutagenic
+CS(=O)(=O)N1C2C1c1ccccc1-c1c2cccc1,mutagenic
+OCCn1c(CO)ncc1[N+](=O)[O-],mutagenic
+OCC(=O)[C@@]1(O)CC[C@@H]2[C@]1(C)C[C@H](O)[C@H]1[C@H]2CCC2=CC(=O)C=C[C@]12C,non-mutagenic
+CCN=NC(OO)(C)C,non-mutagenic
+COC(=O)C,non-mutagenic
+ClCC(Cl)Cl,non-mutagenic
+O=CC1=CC(C)C2C(C(C1C=O)O)CC(C2)(C)C,non-mutagenic
+[O-][N+](=O)c1c(C)c(C(=O)C)c(c(c1C(C)(C)C)[N+](=O)[O-])C,non-mutagenic
+CC(=O)NN,mutagenic
+Nc1ccc(c(c1)O)C,mutagenic
+CCCCOC(=O)c1cccc2c1nccc2,non-mutagenic
+COc1ccc2c(c1)[nH]c1c2ccnc1C,mutagenic
+OCC1OC(OC23CC(C(=O)C3C(C3(C(=C2)C)CC3)(C)O)C)C(C(C1O)O)O,mutagenic
+[O-][N+](=O)c1c2CCCCc2c2c3c1ccc1c3c(cc2)ccc1,non-mutagenic
+[O-][N+](=O)c1cnc(n1C)C(c1cc(cc(c1O)C(C)(C)C)C(C)(C)C)O,non-mutagenic
+CC(=O)Nc1cc2Cc3c(-c2cc1O)cccc3,non-mutagenic
+[O-][N+](=O)c1ccc2c(c1)n[nH]c2,mutagenic
+O=C(C(=C)C)OCCCCCOC(=O)C(=C)C,non-mutagenic
+Cc1cc2ccccc2c(c1)C,non-mutagenic
+CCCCCCCCCCCC[C@H]1CO1,non-mutagenic
+Cc1ccc(cc1)C(=O)n1ncc(c(c1=O)Cl)Cl,non-mutagenic
+OC1C2OC2c2c(C1O)ccc1c2nc2ccc3c(c2c1)cccc3,mutagenic
+Cc1ccc(cc1N=Nc1cc(N)ccc1C)N,mutagenic
+OC(=O)c1ccc(c(c1)Cl)Cl,non-mutagenic
+Cc1ncc2c(n1)CCC2,non-mutagenic
+CCCCON(C(=O)c1ccc2c(c1)cccc2)OC(=O)C,mutagenic
+CN(C#N)N=O,mutagenic
+N#Cc1c(Cl)c(C#N)c(c(c1Cl)Cl)Cl,non-mutagenic
+c1ccc2c(c1)occ2,non-mutagenic
+CCN(c1ccc2c(c1)[o+]c1c(c2c2ccccc2C(=O)O)ccc(c1)N(CC)CC)CC,mutagenic
+C1N2CN3CN1CN(C2)C3,mutagenic
+[O-][N@@+]1(C)CCC[C@@H]1c1cccnc1,non-mutagenic
+Nc1ccc(cc1)C(=O)N,non-mutagenic
+Cc1cc(C)c(cc1N=Nc1cc(c2c(c1O)cccc2)S(=O)(=O)O)S(=O)(=O)O,non-mutagenic
+COc1ccc(cc1)C1OC1C,mutagenic
+Nc1ccc(cc1)CCc1ccc(cc1)N,mutagenic
+c1ccc2c(c1)c1ccc3c(c1cc2)cccc3,mutagenic
+[O-][N+](=O)c1cccc2c1csn2,mutagenic
+C[N+](=C1C=CC(=C(c2ccc(cc2)N(C)C)c2ccccc2)C=C1)C,non-mutagenic
+Nc1ccc(c(c1)S(=O)(=O)O)c1ccc(cc1S(=O)(=O)O)N,non-mutagenic
+[O-][N+](=O)C1=Cc2c3c1cccc3ccc2,mutagenic
+CC(OC(=O)C)C,non-mutagenic
+O=CNc1scc(n1)/C=C\c1ccc(o1)[N+](=O)[O-],mutagenic
+COC(=O)c1ccc(c2c1nc1ccccc1c2NCCCN(C)C)[N+](=O)[O-],mutagenic
+OCc1ccc2c(c1)C(=O)c1c(C2=O)cccc1,non-mutagenic
+CCN(c1ccc(cc1)N=Nc1cccnc1)CC,non-mutagenic
+COCCOC(=O)C,mutagenic
+COCCOCO/N=C\1/C(C)CC(C)(O)C(OC2OC(C)CC(C2O)N(C)C)C(C)C(OC2OC(C)C(C(C2)(C)OC)O)C(C(=O)OC(C(C(C1C)O)(C)O)CC)C,non-mutagenic
+OC1C2C(=O)C3=C(O)c4c(C(=O)C53C1C1C32C(=C(O)c2c(C3=O)cc(cc2O)C)C(=O)C5C1O)cc(cc4O)C,non-mutagenic
+[O-][N+](=O)c1ccc2c(c1)cccn2,mutagenic
+Fc1cc2cccnc2c2c1nccc2,mutagenic
+CCCCCCCC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)CCCCCCC,mutagenic
+Nc1ccc(cc1)Oc1ccc(cc1)[N+](=O)[O-],mutagenic
+O=C(Nc1ccc(c(c1)Cl)Cl)CCC(=O)O,non-mutagenic
+CC(=C)C(=O)O,non-mutagenic
+CN(c1ccc(cc1)N=Nc1cccc2c1cccc2)C,mutagenic
+Cc1cc(ccc1N=Nc1ccccc1)N(C)C,mutagenic
+Clc1ccc2c(c1)c(N)c1c(n2)cccc1,mutagenic
+CCN1CCN(CC1)c1cc2c(cc1F)c(=O)c(cn2C1CC1)C(=O)O,mutagenic
+CCC(=O)N(c1ccc(cc1)/C=C/c1ccccc1)O,mutagenic
+BrC[C@H](COP(=O)(OC[C@@H](CBr)Br)OC[C@@H](CBr)Br)Br,mutagenic
+OC1C=Cc2c(C1O)cc1-c3ccccc3-c3c1c2cc1ccccc31,mutagenic
+CC(=O)N(c1ccc(cc1)c1ccccc1)O,mutagenic
+O=CC1=CC2CC(CC2C23C1(C2)C(O)OC3=O)(C)C,mutagenic
+[O-][N+](=O)c1ccc(cc1)[C@]1(C)OC1,mutagenic
+CN(c1ccc(cc1)N=Nc1ccccc1)CCC#N,mutagenic
+CCCCCCC(C(=O)OC[C@@H]1CO1)(C)C,mutagenic
+FC(=C(F)F)F,non-mutagenic
+[O-][N+](=O)[C@@H](CO)C,non-mutagenic
+CC[N+](=C1C=CC(=C(c2ccc(cc2)N(CC)CC)c2ccc(cc2)N(CC)CC)C=C1)CC,mutagenic
+C[C@H]1CC[C@@H]([C@H](C1)O)C(C)C,non-mutagenic
+OC1C(O)C=Cc2c1ccc1c2cc2c(n1)ccc1c2cccc1,mutagenic
+COC(=O)[C@@]12O[C@@]2(CC)[C@@H](OC1=O)C,mutagenic
+CCCCCCOC[C@H]1CO1,mutagenic
+ClCCN(C(=O)NCCS(=O)(=O)N(C)C)N=O,mutagenic
+OCC1OC(C(C1O)O)(CO)OC1OC(CO)C(C(C1O)O)O,non-mutagenic
+CCCCCCCCC/C=C/C[C@H]1CC(=O)OC1=O,non-mutagenic
+CC1C=Cc2c1c1c(cc2)ccc2c1cccc2,non-mutagenic
+OCC1OC(C(C1O)O)n1cnc2c1nc(nc2N)c1ccc(cc1)[N+](=O)[O-],mutagenic
+OC1C(O)C2OC32c2c1cccc2-c1c3cc2c(c1)cccc2,mutagenic
+COC(=O)c1cc2OCOc2c2c1c(cc1c2cccc1OC)[N+](=O)[O-],mutagenic
+C[C@@H]1C(C)(C)c2c(C1(C)C)cc(c(c2)C)C(=O)C,non-mutagenic
+OC1C(OCC(C1O)O)Nc1ccc(cc1)[N+](=O)[O-],non-mutagenic
+O=C(c1ccccc1)OCc1ccccc1[N+](=O)[O-],non-mutagenic
+OC(=O)/C=C/Cl,mutagenic
+O=NN(c1ccccc1)COC(=O)C,mutagenic
+Cn1cccc1,non-mutagenic
+OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2S,mutagenic
+[O-][N+](=O)c1ccc2-c3cc4CCCCc4cc3CCc2c1,mutagenic
+O=C(c1cccc(c1)[N+](=O)[O-])ON(C(=O)c1ccccc1)OCc1ccccc1,mutagenic
+Nc1ccccc1S,mutagenic
+Cc1ccc(c(c1)S(=O)(=O)O)N,non-mutagenic
+Oc1n(/N=C/c2ccccc2)nnc2-c1nc1c2cccc1,mutagenic
+Cc1cc(O)nc(n1)S,non-mutagenic
+ClC(SN1C(=O)[C@H]2[C@H](C1=O)CC=CC2)(Cl)Cl,mutagenic
+O=C/C=C/c1ccc(cc1)N(C)C,non-mutagenic
+C/C=N/N(C=O)C,non-mutagenic
+CCO[P@@](=O)(c1ccccc1)Oc1ccc(cc1)[N+](=O)[O-],mutagenic
+[O-][N+](=O)c1cc2ccc3c4c2c(c1)ccc4ccc3,mutagenic
+COC(=O)C12OC2(C)C(OC1=O)C,mutagenic
+O=C1C=Cc2c(C1=O)cc1c3c2ccc2c3c(cc1)ccc2,mutagenic
+OC(=O)C(C(C(C(C(Cl)(F)F)(Cl)F)(F)F)(Cl)F)(F)F,non-mutagenic
+Cc1ccc2c(c1)cc1c(c2)ccc2c1cccc2,mutagenic
+CC(S(=O)(=O)Cl)C,mutagenic
+OC(=O)/C=C/c1ccc(cc1)/C=C/C(=O)O,non-mutagenic
+O=C1CCc2c1c1ccc3c(c1c1c2CCC1)cccc3,non-mutagenic
+OC[C@H]1O[C@H](C[C@H]1O)n1cc(CO)c(=O)[nH]c1=O,mutagenic
+COc1cc(CC2NCCc3c2cc(O)c(c3)O)cc(c1OC)OC,non-mutagenic
+CC(CC(=O)OCC1=CO[C@H]([C@@H]2[C@@H]1C[C@@H]([C@@]12CO1)OC(=O)C)OC(=O)CC(C)C)C,mutagenic
+O=CC=CNCCCCC(C(=O)O)N,mutagenic
+CCCCCCCC1CCC(=O)O1,non-mutagenic
+N#CCc1ccccc1,non-mutagenic
+Nc1cnc2c(c1)nc1n2cccc1,mutagenic
+ClCN1C(=O)c2c(C1=O)cccc2,mutagenic
+CC(=O)N(c1ccc(cc1)/C=C/c1ccccc1)O,mutagenic
+ClCCN(CCCNc1c2ccccc2nc2c1cccc2)CC,mutagenic
+c1cc2CCc3c4c2c(c1)cc1c4c2c(c3)cccc2cc1,mutagenic
+CC(=O)Nc1cccc2c1nccc2,mutagenic
+[O-][N+](=O)c1ccc2c(c1)/c(=N/C(=O)c1ccccc1)/sn2C(=O)c1ccccc1,mutagenic
+OCc1ccccc1[N+](=O)[O-],non-mutagenic
+Cc1cccc2c1-c1cc3ccccc3cc1C1C2O1,mutagenic
+COC(=O)[C@@]12O[C@@]2(C)[C@@H](OC1=O)C(C)C,mutagenic
+O[C@@H]1C=Cc2c([C@@H]1O)c1cc3ccccc3c(c1cc2)C,mutagenic
+Cc1cccc(c1)NC(=O)c1csc(c1)[N+](=O)[O-],mutagenic
+Cc1ccccc1OC[C@H]1CO1,mutagenic
+CNC(=O)Oc1ccccc1OC(C)C,mutagenic
+Nc1ccc(c(c1)C)c1ccc(cc1C)N,mutagenic
+CC1CCC(C(C1)OC(=O)c1ccccc1N)C(C)C,non-mutagenic
+COC(=O)C1c2cc3c(c(c2C(CC1(O)CC)OC1OC(C)C(C(C1)N(C)C)O)O)C(=O)c1c(C3=O)c(O)ccc1O,mutagenic
+C=CC(=C)C,non-mutagenic
+ON(c1ccc(cc1)Oc1ccc(cc1)Cl)C(=O)C,mutagenic
+OCC12C(C=C(C(=O)C1O)C)OC1C3(C2(C)CC1O)CO3,non-mutagenic
+OC(=O)O,non-mutagenic
+COP1(=S)OCc2c(O1)cccc2,mutagenic
+C=C[C@@H]1CC[C@@]2([C@H](C1)O2)C,non-mutagenic
+ClC[C@H](OP(=O)(O[C@@H](CCl)C)O[C@@H](CCl)C)C,non-mutagenic
+CCC(c1ccc(cc1)C[N+](C)(C)C)CC(c1cccc(c1)C(CC)C)C,non-mutagenic
+[O-][N+](=O)c1ccc(o1)C(=O)OC,mutagenic
+ClC(=C(SSc1ccccc1[N+](=O)[O-])F)Cl,mutagenic
+Nc1nccs1,mutagenic
+O=NN(Cc1ccc(cc1)F)C,mutagenic
+Clc1c(Cl)cccc1Cl,non-mutagenic
+N#Cc1cc(I)c(c(c1)[N+](=O)[O-])O,non-mutagenic
+OCCOc1ccccc1,non-mutagenic
+CC(OC(=O)COc1ccc(cc1Cl)Cl)C,non-mutagenic
+CCCCCCOC(=O)c1ccccc1,non-mutagenic
+COC(=O)c1cc(ccc1[N+](=O)[O-])Oc1ccc(cc1Cl)Cl,mutagenic non-mutagenic
+Nc1cc(Cl)c(c(c1)Cl)N,mutagenic
+CNC(=O)/C=C(/OP(=O)(OC)OC)\C,mutagenic
+COC(=C1C(=NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OC/C=C/c1ccccc1)C)C)O,non-mutagenic
+Oc1ccc2-c3c4c(-c2c1)ccc1c4c2c(c3)cccc2cc1,mutagenic
+CC1=CC(=O)c2c(C1=O)cccc2O,mutagenic
+CCOC(=O)CC(=O)CCl,non-mutagenic
+ClC(C(Cl)(Cl)Cl)(Cl)Cl,non-mutagenic
+N#CCCN(c1ccc(cc1)N=Nc1c(Cl)cc(cc1Cl)[N+](=O)[O-])CC,mutagenic
+C=CC1CC2CC1C=C2,non-mutagenic
+O=NN(c1ccccc1)O,mutagenic
+CNCCS(=O)(=O)O,non-mutagenic
+CCOc1ccc(cc1)N,mutagenic
+n1sc2c(c1)cc(cc2)OC[C@H]1CO1,mutagenic
+CCN(CCC[C@H](Nc1ccnc2c1ccc(c2)Cl)C)CC,mutagenic
+NC(=N)c1ccc2c(c1)[nH]c(c2)C(=N)N,non-mutagenic
+C[C@H](c1ccccc1)O,non-mutagenic
+CC[C@]1(OCCc2c1[nH]c1c2cc(cc1CC)O)CC(=O)O,mutagenic
+COC1C(COC2OC(CO)C(C(C2O)O)O)OC(C(C1O)O)COCC1C(CO)OC(C(C1O)O)CC,non-mutagenic
+O=C(n1cncc1)n1cncc1,non-mutagenic
+O/N=C/C=N/O,non-mutagenic
+Clc1ccc2c(c1)nc([nH]2)N,non-mutagenic
+O=C1N(C)CCCN1C,non-mutagenic
+BrCc1ccc2c3c1-c1ccccc1-c3ccc2,mutagenic
+Clc1ccc(cc1)C(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)c1ccc(cc1)Cl,mutagenic
+[O-][N+](=Nc1cc(cc(c1C)[N+](=O)[O-])[N+](=O)[O-])c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])C,mutagenic
+O=NN(C(C(=O)O)C)CC1(O)CCC(C(C1O)O)O,non-mutagenic
+OCCOCCOCC,non-mutagenic
+O=Nc1ccc(cc1)Nc1ccccc1,mutagenic
+O=C/C=C/c1ccccc1[N+](=O)[O-],mutagenic
+COc1cc2OC3C(c2c2c1c1CCC(=O)c1c(=O)o2)C1C(O3)O1,mutagenic
+OOC12C=CC3C(C2(C)CCC(C1)O)CCC1(C3CCC1C(CCCC(C)C)C)C,mutagenic
+COc1cccc2c1nc(s2)N,mutagenic
+Clc1cccc(n1)Cl,non-mutagenic
+NCC(C)C,non-mutagenic
+Cc1cccc2c1cc1ccc3c4c1c2ccc4ccc3,mutagenic
+Cc1c(N)ccc(c1C)N,non-mutagenic
+O=C1c2c3ccccc3ccc2-c2c3c1cccc3ccc2,non-mutagenic
+COc1c(OC)ccc2c1c[n+]1CCc3c(-c1c2)cc1c(c3)OCO1,non-mutagenic
+CC(=O)Nc1ccc2-c3c(Cc2c1)cccc3O,mutagenic
+OC(=O)COc1ccc(cc1C)Cl,non-mutagenic
+[O-][N+](=O)c1cccc2c1ccc1c2cccc1,mutagenic
+ClCC(CCl)Cl,mutagenic
+OC1C=Cc2c(C1O)ccc1c2ccc2c1CCC2=O,mutagenic
+OC1CCC2(C(C1)CC(=O)C1C2CCC2(C1CCC2C(CCC(=O)O)C)C)C,non-mutagenic
+Nc1ccc(cc1)c1ccc(cc1[N+](=O)[O-])N,mutagenic
+COC(=O)C1CSC2N1C(=O)C(=C2Cl)Cl,mutagenic
+OC1C(N)CC(OC1C)OC1CC(O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2)C(=O)C,mutagenic
+COc1cc(F)ccc1[N+](=O)[O-],mutagenic
+OCc1ccc(o1)c1[nH]ccc2-c1nc1c2cccc1,mutagenic
+ClCCOC(=O)c1[n+]([O-])nnc2c1n(C)c1c2cccc1,mutagenic
+Cc1ccc2c3c1CC(c3c1c(c2)c2ccccc2cc1)OS(=O)(=O)O,mutagenic
+CCC(=O)OCc1cccc(c1)[N+](=O)[O-],non-mutagenic
+Nc1ccnc2c1cccc2,non-mutagenic
+Cc1cc(ccc1N)c1ccccc1C,mutagenic
+OC(=O)CN(CC(=O)O)CCN(CC(=O)O)CC(=O)O,non-mutagenic
+N#N=Nc1ccc(cc1)Nc1c2ccccc2nc2c1cccc2,mutagenic
+Oc1cccc2c1cc1c(c2)c2ccccc2c2c1cccc2,mutagenic
+Oc1c(N=Nc2ccc(c3c2cccc3)S(=O)(=O)O)c2ccc(cc2cc1S(=O)(=O)O)S(=O)(=O)O,non-mutagenic
+COc1ccc(c(c1)O)C(=O)c1ccccc1O,mutagenic
+CCc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C,non-mutagenic
+Cn1c(N)nc2c1cc1ccncc1n2,mutagenic
+OC(=O)C1OC1C(=O)O,non-mutagenic
+S=C1NCCN1,mutagenic
+ONc1cccc(c1C)C,mutagenic
+Clc1cc(Cl)c(cc1O)Cl,non-mutagenic
+Oc1cc2cccc3c2c2c1=C(O)C14C(c2cc3)(O4)CCCC1,mutagenic
+O[C@H]1C=C2c3c([C@@H]1O)cccc3-c1c2cc2ccccc2c1,mutagenic
+COc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1)C,mutagenic
+CC(=CCOc1c2occc2cc2c1oc(=O)cc2)C,mutagenic
+Nc1ccccc1C(F)(F)F,non-mutagenic
+Oc1ccc2-c3c4c(-c2c1)cccc4c(cc3)[N+](=O)[O-],mutagenic
+Oc1cc2ccc3-c4c(-c5c3c2c2c1cccc2c5)cccc4,non-mutagenic
+N#CC(=Cc1ccc(o1)[N+](=O)[O-])C#N,mutagenic
+COc1cccc2c1cc([N+](=O)[O-])c1c2c2OCOc2cc1C(=O)O,mutagenic
+ClCCC(=O)/N=c/1\sn(c2c1cccc2)C(=O)CCCl,non-mutagenic
+COc1cc(N)ccc1NC(=O)C,mutagenic
+OCc1ccc(cc1)OC(=O)C,non-mutagenic
+[N-]=[N+]=NC[C@@H](CO)O,mutagenic
+Nc1ccc(cc1Cl)Oc1ccc(c(c1)Cl)N,mutagenic
+O=C1N(SC2CCCCC2)C(=O)c2c1cccc2,non-mutagenic
+COc1ccccc1CC1CO1,mutagenic
+Cc1cc2c(c3c1ncc(n3)c1ccccc1)nc(n2C)N,mutagenic
+COc1ccc(cc1)Nc1ccc(cc1)OC,non-mutagenic
+CCCCN(C[C@@H](CC)O)N=O,mutagenic
+O=C/C=C/C=C/C=O,mutagenic
+OCc1c2ccc3c(c2nc2c1cc(C)cc2)C=CC(C3O)O,mutagenic
+Cc1cccnc1,non-mutagenic
+OCCN(CC)CC,non-mutagenic
+O=Nc1ccc2c3c1ccc1c3c(cc2)ccc1[N+](=O)[O-],mutagenic
+COc1c(N)cc(c(c1C)N)C,non-mutagenic
+OC[C@H]([C@H]([C@H]([C@H]([C@H]1SCCN1N=O)O)O)O)O,mutagenic
+CCOC(=O)c1[nH]c2c(c1/N=C/c1ccc(cc1)NC(=O)C)cccc2,mutagenic
+[O-][N+](=O)c1ccc2c(c1)/c(=N/C(=O)c1ccc(cc1)[N+](=O)[O-])/sn2C(=O)c1ccc(cc1)[N+](=O)[O-],mutagenic
+CCCCCc1cc(O)cc(c1)O,non-mutagenic
+O=C1CCC2=C3C=CC4(C(C3CCC2=C1)CCC4O)C,non-mutagenic
+CC(=O)N(c1ccc2-c3c(Cc2c1)cccc3)Nc1ccc2-c3c(Cc2c1)cccc3,mutagenic
+Nc1ccc2c(c1C(C)(C)C)cccc2,non-mutagenic
+CNc1ccc(cc1)Nc1c2ccccc2nc2c1cccc2,mutagenic
+CCC(=O)C=C,mutagenic
+O[C@@H]1C=Cc2c([C@H]1O)cc1c(c2[N+](=O)[O-])cccc1,mutagenic
+Cc1ccc2c(c1)c1ccc3c(c1cc2)ccc1c3cccc1C,non-mutagenic
+Fc1cccnc1,non-mutagenic
+OC(=O)C1NC(Cc2ccccc2O)c2c(C1)c1ccccc1[nH]2,non-mutagenic
+CON,non-mutagenic
+O=Cc1ccc(cc1)C,non-mutagenic
+BrC(C1=C(Cl)C(=O)OC1O)Br,mutagenic
+N#[N+]c1ccc(cc1)[N+](=O)[O-],mutagenic
+C1Oc2c(O1)cc(cc2)C[C@@H]1CO1,mutagenic
+Oc1cc(O)c2c(c1)C(=O)c1c(C2=O)cccc1,mutagenic
+CC(=O)c1ccncc1,non-mutagenic
+CCN(c1cc(NC(=O)C)c(cc1OC)N=Nc1ccc(cc1)[N+](=O)[O-])CC,mutagenic
+ClCc1cccc(c1)N=Nc1ccc(cc1)N(C)C,mutagenic
+N1C2C1c1cccc3c1-c1c2cccc1C1C3N1,mutagenic
+COc1cc(O)cc2c1cc([N+](=O)[O-])c1c2c2OCOc2cc1C(=O)O,non-mutagenic
+OC[C@H]1O[C@@H](Oc2ccc(c3c2C(=O)c2ccccc2C3=O)O)[C@@H]([C@H]([C@@H]1O)O)O,mutagenic
+FC(=C)F,mutagenic
+O=C1NC(=O)N(C1)/N=C/c1ccc(o1)[N+](=O)[O-],mutagenic
+CC(=O)NNc1ccccc1,mutagenic
+Nc1cccc2c1nc1ccccc1n2,mutagenic
+C=CC1CN2CCC1CC2C(c1ccnc2c1cc(OC)cc2)OC(=O)C(O)C,non-mutagenic
+COC(=O)C1=C(CC)C(OC1=O)C,mutagenic
+Clc1cccc2c1cccn2,mutagenic
+O=NN(CC(=O)C)C[C@H](O)C,mutagenic
+CCCC(=O)OC1C2OP(=O)(O)OCC2OC1n1cnc2c1ncnc2NC(=O)CCC,non-mutagenic
+O=C1c2cccc3c2c2c4c1cccc4ccc2cc3,non-mutagenic
+Cc1cccc(c1)N,non-mutagenic
+OCCN(c1ccc(cc1)N=Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])CCO,mutagenic
+O=NN1CCC(=O)NC1=O,mutagenic
+O=C1c2ccccc2-c2c1ccc1c2c2ccccc2cc1,non-mutagenic
+FC(C(C(C(I)(F)F)(F)F)(F)F)(F)F,non-mutagenic
+CCCCN(CC[C@H](O)C)N=O,mutagenic
+Cc1ccc2c(c1)cc1c(c2)cccc1,mutagenic
+OC1CC(O)C(=C)/C(=C/C=C/2\CCCC3(C2CCC3C(/C=C/C(C2CC2)O)C)C)/C1,non-mutagenic
+CC(=O)c1cccc(c1)[N+](=O)[O-],mutagenic
+C=C[Si](Cl)(Cl)C,mutagenic
+O=C1C[C@]2([C@@H]([C@@H]1C)C2)C(C)C,non-mutagenic
+OCc1c2ccccc2c(c2c1cccc2)C,mutagenic
+c1cc2ccc3c4c2c(c1)ccc4cc1c3[C@@H]2O[C@@H]2CC1,mutagenic
+Cc1cccc2c1cc1ccccc1c2,non-mutagenic
+BrCc1ccccc1[N+](=O)[O-],non-mutagenic
+OCC(C(c1ccccc1)N=N#N)O,mutagenic
+CCOCC,non-mutagenic
+O=C(c1ccccc1)/C=C/c1cccc(c1)[N+](=O)[O-],non-mutagenic
+[O-][n+]1cnc2c(c1N)ncn2Cc1ccccc1,mutagenic
+ClC(=O)c1ccccc1C,mutagenic
+OS(=O)(=O)Oc1c2ccccc2c2c3c1ccc1c3c(cc2)ccc1,non-mutagenic
+CCOc1ccc2c(c1)c(N)c1c(n2)cc(cc1)N,mutagenic
+CCCON(C(=O)c1ccccc1)OC(=O)C,mutagenic
+OC1C2(Cl)C3(C4(C1(Cl)C1(C2(C3(Cl)C(C41Cl)(Cl)Cl)Cl)Cl)Cl)Cl,non-mutagenic
+CC(=O)c1ccccc1,non-mutagenic
+CC1=CCCc2c1cc(C)c1c2ccc2c1cccc2,mutagenic
+CCCCC(C(C(OC(=O)CC(C(=O)O)CC(=O)O)CC(CC(CCCCC(CC(C(N)C)O)O)O)C)OC(=O)CC(C(=O)O)CC(=O)O)C,non-mutagenic
+CCCOc1cc(c(cc1N/N=C(/C(=O)Nc1ccc(cc1)[N+](=O)[O-])\C(=O)C)OC)c1cc(OCCC)c(cc1OC)N/N=C(/C(=O)Nc1ccc(cc1)[N+](=O)[O-])\C(=O)C,mutagenic
+COc1ccc(cc1)CCC1OC1,mutagenic
+[O-][N+](=O)c1ccc2c(c1)s[nH]c2=O,mutagenic
+OC(=O)[C@@H](Cc1ccc(c(c1)O)O)N,mutagenic
+Oc1nsc2c1cccc2,non-mutagenic
+O=c1ccc2c(o1)c1ccoc1cc2,non-mutagenic
+COc1ccc(cc1)c1coc2c(c1=O)c(O)cc(c2)O,non-mutagenic
+ON(c1ccc(cc1)Cl)C(=O)C,non-mutagenic
+OC(C1CO1)CO,mutagenic
+Oc1ccc(cc1)O,non-mutagenic
+CCN=NO,mutagenic
+CNC(=O)CC(C(=O)NC(c1ccc(cc1)O)C(=O)NC1C(=O)N2C1SC(C2C(=O)O)(C)C)N,non-mutagenic
+O1C2C1C1N=NC2C2C1O2,non-mutagenic
+CC(=O)ON(c1ccc(cc1)c1ccccc1)C(=O)C,mutagenic
+Fc1ccc(cc1)C1OC1C(=O)c1ccccc1,non-mutagenic
+CC(=O)Nc1ccccc1,non-mutagenic
+CCCCN(CCCC)CCO,non-mutagenic
+Cc1ccc2c(c1)c(N)sn2,mutagenic
+Cn1c(N)nc2c1c1cccnc1cc2,mutagenic
+Oc1ccc(cc1)c1oc2cc(O)cc(c2c(=O)c1O)O,mutagenic
+O=c1oc2cccc(c2cc1[C@@H]1CCc2c(C1)cccc2)O,non-mutagenic
+COc1c2ccc(=O)oc2cc2c1cco2,mutagenic
+Oc1ccc2c(c1)cc1c3c2ccc2c3c(cc1)ccc2,mutagenic
+CC(Sc1cc(ccc1N)Cc1ccc(c(c1)SC(C)C)N)C,mutagenic
+BrC(Br)Br,mutagenic
+OC(=O)c1ccccc1O,non-mutagenic
+CN(C(=O)NC)N=O,mutagenic
+Clc1ccc(cc1)C(=O)NC(C(=O)O)Cc1cc(O)nc2c1cccc2,non-mutagenic
+C#CCNC(=NCCSCc1nc[nH]c1C)NC#N,non-mutagenic
+CC(COC[C@@H]1OC1)(COC[C@@H]1OC1)C,mutagenic
+N=C(Nc1ccccc1)Nc1ccccc1,mutagenic
+CCOC(=O)CC(O)C,non-mutagenic
+CCCCOc1ccc2c(n1)c(NCCCN(CCCl)CC)c1c(n2)cc(cc1)Cl,mutagenic
+C=CC1(C)CC(O)C2(C(C1)CCC1C32CCCC1(C(=O)O3)C)C,non-mutagenic
+Cn1c2cc(cnc2nc1[N+](=O)[O-])c1ccccc1,mutagenic
+O=C1C=CC(=O)c2c1c(O)ccc2O,mutagenic
+CC(CC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)CC(C)C)C,mutagenic
+C[C@@H]1C[C@H]2OC(=O)[C@@]3([C@H]2[C@H]([C@@]2([C@H]1C=CC2=O)C)O[C@]3(C)O)C,non-mutagenic
+COc1cc(O)c2c(c1)oc1c(c2=O)cc(cc1)OC,mutagenic
+[O-][N+](=O)c1ccc2c(c1)sc1c2cccc1,mutagenic
+O1C[C@@H]1[C@@H]1OC1,mutagenic
+c1ccc2c(c1)cc(c1c2cccc1)[C@@H]1CO1,mutagenic
+CCC(=O)N(C1CCCC1N(C)C)c1ccc(c(c1)Cl)Cl,non-mutagenic
+Cc1cc(c(c(c1)C(C)(C)C)O)C(c1ncc(n1C)[N+](=O)[O-])O,non-mutagenic
+COc1cc(O)c2c(c1)oc1c(c2=O)cc(cc1)O,mutagenic
+CCCCCCCC/C=C/CCCCCCCC(=O)O,non-mutagenic
+CN(C(=S)SNCCNSC(=S)N(C)C)C,mutagenic
+CCOC(=O)C1C(C1(C)C)C=C(C)C,non-mutagenic
+Nc1ccc2c(c1)oc1-c(n2)c2ccccc2c(=N)c1,mutagenic
+O/N=C/C1N(CCC[n+]2ccc(cc2)C(=O)N)C=CN1C,non-mutagenic
+Nc1ccc2c(c1)s[nH]c2=O,non-mutagenic
+CNC(=O)c1cccc(c1)NCC(=O)NCCc1ccc(c(c1)OC)OC,non-mutagenic
+OCC#N,non-mutagenic
+Nc1ccc(cc1)Oc1ccc(c(c1)N)N,mutagenic
+OC(=O)[C@@H]1CSCN1,non-mutagenic
+Cc1cnc2c(n1)cccc2,non-mutagenic
+O=CN1c2cc(OC)c(cc2C23C1C(O)(C(=O)OC)C(OC(=O)C)C1(C3N(CC2)CC=C1)CC)C1(CC2CN(CCc3c1[nH]c1c3cccc1)CC(C2)(O)CC)C(=O)OC,non-mutagenic
+OCc1c2ccc(cc2nc2c1ccc1c2cccc1)C,non-mutagenic
+COc1cc(O)c2c(c1)oc(c(c2=O)O)c1ccc(c(c1)O)O,mutagenic
+Cc1cc2[nH]c3c(c2c2c1cccc2)c1ccccc1c(c3)C,mutagenic
+C=CCCC1CO1,mutagenic
+COc1cc2C(=O)CCc2c2c1c1ccccc1cc2,mutagenic
+OCC1CCCO1,non-mutagenic
+OCC1OC(Oc2ccc(cc2)N=Nc2ccc(cc2)N(C)C)C(C(C1O)O)O,non-mutagenic
+CCN([N+](=NO)[O-])CC,mutagenic
+Cc1ccc2c3c1ccc1c3c(c2=O)ccc1,mutagenic
+CCc1ccc(cc1)NC(=O)c1csc(c1)[N+](=O)[O-],mutagenic
+CCOP(=O)(Oc1ccccc1C(=O)OC(C)C)NC(C)C,mutagenic
+CC(=O)OC1C(=O)OC2C1OC(=O)C2OC(=O)C,non-mutagenic
+OCC12OOC2(C)c2c(O1)cccc2,non-mutagenic
+O=C1NC(=O)C(=C1Cl)Cl,mutagenic
+C=CCc1ccc(cc1)O,non-mutagenic
+CCOC(=O)C=C,non-mutagenic
+ClC[C@@H](CBr)Br,mutagenic
+CCN(C(=O)Cc1ccccc1)CC,non-mutagenic
+NC(=O)c1ccccc1C(=O)N,non-mutagenic
+OCCO,non-mutagenic
+O=Nc1c(nc2n1cc(s2)C)c1ccc(cc1)[N+](=O)[O-],mutagenic
+[O-][N+](=O)c1cc(n(c1C(=O)C)[N+](=O)[O-])[N+](=O)[O-],mutagenic
+Fc1ccc2c(c1F)nccc2,mutagenic
+Clc1ccc2c(c1)c(N)sn2,mutagenic
+Oc1cccc2c1c1ccccc1c1c2cc2ccccc2c1,mutagenic
+O=c1nc[nH]c(=O)[nH]1,non-mutagenic
+N#C/C(=C\C=C\c1ccccc1[N+](=O)[O-])/c1ccc(cc1)Br,mutagenic
+Cc1cccc(c1)C(=O)O,non-mutagenic
+C/C=C/c1cc(OC)c(cc1OC)OC,mutagenic
+NN1C(=O)c2c(C1=O)cccc2,non-mutagenic
+Nc1cc2nc3ccccc3nc2cc1N,mutagenic
+CC(CCNc1snc2c1cccc2)C,non-mutagenic
+Cc1ccc2c3c1CCc3c1c(-c3ccccc3C3C1O3)c2,mutagenic
+OC(=O)c1ccc(c(c1)N)C,mutagenic
+COc1ccc2c(-c3c(OC)c(OC)cc4c3c(C2=O)ncc4)c1,non-mutagenic
+CCCCN(C[C@@H](CCO)O)N=O,mutagenic
+Cc1c(N)cccc1N=[N+](c1cccc(c1C)N)[O-],mutagenic
+O=CC1=C2CC(C[C@]2(O)[C@@H]([C@]2([C@]1(C=O)C2)C)OC(=O)C)(C)C,mutagenic
+c1ccc2c(c1)c1cc3ccc4c(c3cc1cc2)cncc4,mutagenic
+COc1ccc(c(c1)C)N,mutagenic
+[O-][N+](=O)C1c2ccccc2C(=O)c2c1cccc2,non-mutagenic
+OC1C2OC2c2c(C1O)cc1c3c2ccc2c3c(cc1)ccc2,mutagenic
+Cc1ncc[nH]1,non-mutagenic
+Clc1cnc(c(c1)Cl)Oc1ccc(cc1)Oc1ncc(cc1Cl)Cl,non-mutagenic
+CCCCCN(N=O)CCCCC,mutagenic
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)c(cc1)[N+](=O)[O-],mutagenic
+CC(CC(=O)OC1CC2(COC(=O)C)C(C=C1C)OC1C3(C2(C)C(OC(=O)C)C1O)CO3)C,mutagenic
+CCCCCCCCCCCCCl,non-mutagenic
+ClCCOC(=O)Cc1c(C(=O)O)c2c(n1C)cccc2,mutagenic
+[O-][N+](=O)c1ccc(cc1)S(=O)(=O)Nc1ccccn1,non-mutagenic
+[O-][N+](=O)c1ccc2c(c1)CCN2,mutagenic
+O=C1c2c(ccc(c2C(=O)c2c1c(ccc2O)[N+](=O)[O-])O)[N+](=O)[O-],mutagenic
+O=C1c2ccccc2N=C1c1[nH]c2c(c1O)cccc2,mutagenic
+ONc1cc(cc(c1C)[N+](=O)[O-])[N+](=O)[O-],mutagenic
+O=C1CCCC=C1,non-mutagenic
+Cc1cccc2c1nc1c(c2)ccc2c1cccc2,non-mutagenic
+O=C1NCCN1/N=C/c1ccc(o1)[N+](=O)[O-],mutagenic
+ClCCN(C(=O)NC1CCC(CC1)C)N=O,mutagenic
+ClCCN(c1cccc(c1)/C=C/C(=O)OC1CCC2C1(C)CCC1C2CCC2=CC(=O)NCCC12C)CCCl,non-mutagenic
+COc1c(c(C)cc2c1c(O)ccc2O)c1cc(O)c2c(c1O)cc(cc2OC)C,non-mutagenic
+Nc1ccn(c(=O)n1)C1C=C(C(C1O)O)CO,non-mutagenic
+Nc1[nH]cnc2-c1nc(n2)c1ccc(cc1)[N+](=O)[O-],mutagenic
+O=NN(C(C(=O)O)Cc1ccccc1)CC1(O)CCC(C(C1O)O)O,non-mutagenic
+O=CNc1scc(n1)c1ccc(s1)[N+](=O)[O-],mutagenic
+Nc1cccc2-c3c(Cc12)cccc3,mutagenic
+O=Nc1[nH]cnc1c1ccccc1,mutagenic
+OCC1OC(O)C(C(C1O)O)NC(=O)N(N=O)C,mutagenic
+Cc1ccc2c(-c3ccccc3C2C)c1,mutagenic
+COP(=O)(N1CCOCC1)OC,non-mutagenic
+Cc1cc2cc3cccc(c3c(c2c(c1)O)O)O,mutagenic
+C/C(=C/COC(=O)C)/CCC=C(C)C,non-mutagenic
+[O-][N+](=O)c1cc(C)c2c(c1C)c1cc(ccc1[nH]2)C(=O)C,mutagenic
+Cl/C=C(\SCc1ccccc1)/Cl,mutagenic
+COC(=O)C(Cl)Cl,mutagenic
+COc1cc(N=Nc2ccccc2)ccc1[N+](=O)[O-],mutagenic
+CCCCNC(=O)n1c(NC(=O)OC)nc2c1cccc2,non-mutagenic
+COc1ccc2c(c1)sc(n2)N,mutagenic
+OCCN(C(=O)N)N=O,mutagenic
+O=c1cc(C)c2c(o1)cc1c(c2)C2(C(O1)(C)OO2)C,mutagenic
+[O-][N+](=O)c1ccc2c(c1)c1ccccc1cc2[N+](=O)[O-],mutagenic
+COc1cc2CCN(C3c2c(-c2cc4OCOc4cc2C3)c1O)C,non-mutagenic
+CCCCCCCC(=O)Nc1snc2c1cccc2,non-mutagenic
+COc1ccc(c2c1oc1c3c(OC4C3CCO4)cc(c1c2=O)OC)O,non-mutagenic
+[O-][N+](=O)c1ccc2c(c1)/c(=N/C(=O)c1ccccc1Cl)/sn2C(=O)c1ccccc1Cl,mutagenic
+OOC(C)(C)C,mutagenic
+ClC(=C1OC(=O)C(=C1)Cl)Cl,mutagenic
+O=C1CCCN1c1ncc(s1)[N+](=O)[O-],mutagenic
+ONc1nc2c(n1C)cc(cn2)c1ccccc1,mutagenic
+CCCCCCCCCCCCCC[N+](Cc1ccccc1)(C)C,non-mutagenic
+OC1C2C(=O)C3=C(O)c4c(C(=O)C53C1C1C32C(=C(O)c2c(C3=O)c(O)c(cc2O)C)C(=O)C5C1O)c(O)c(cc4O)C,non-mutagenic
+ClCCN(C(=O)NCC(=O)N)N=O,mutagenic
+[O-][N+](=O)c1ccc(cc1)c1ccc(cc1)C(C)(C)C,non-mutagenic
+CCCOP(=S)(OP(=S)(OCCC)OCCC)OCCC,non-mutagenic
+Nc1cc(C)c2c(c1C)c1ccccc1[nH]2,mutagenic
+O=C(c1ccccc1)OCC(COC(=O)c1ccccc1)(COC(=O)c1ccccc1)C,non-mutagenic
+CC12OOC2(C)Oc2c1ccc1c2nccc1,non-mutagenic
+CC(CCOC(=O)C)C,non-mutagenic
+CCCCCCCCCCCCCCCCCC(=O)OCC1=CC=C2C1=C[C@@H](CC=C2C)C(=C)C,mutagenic
+COc1c(OC)ccc2c1c(=O)n(C)c1c2ccc2c1cc1OCOc1c2,mutagenic
+Cc1ccc(cc1)C(=O)ON(C(=O)c1ccccc1)OCc1ccccc1,mutagenic
+N#N=Nc1nc2c([nH]1)cccc2,mutagenic
+Ic1ccc(cc1)[n+]1nc(nn1c1ccc(cc1)[N+](=O)[O-])c1ccccc1,non-mutagenic
+OCc1ccc(cc1)Cl,non-mutagenic
+CC(=O)OC/C=C(/C=C/C=C(/C=C/C1=C(C)CCCC1(C)C)\C)\C,non-mutagenic
+OCC(=O)C1(O)CC(OC2OC(C)C(C(C2)N(C)C)O)c2c(C1)c(O)c1c(c2O)C(=O)c2c(C1=O)c(OC)ccc2,mutagenic
+CN(CCCNc1c2ccccc2nc2c1c(ccc2N(CCOC(=O)C)CCOC(=O)C)[N+](=O)[O-])C,mutagenic
+ONc1ccc(cc1)c1ccccc1,mutagenic
+OS(=O)(=O)c1ccccc1,non-mutagenic
+[O-][N+](=O)c1ccc2c(c1)c(cc1c2c(ccc1)[N+](=O)[O-])[N+](=O)[O-],mutagenic
+N#C/C(=C\C=C\c1ccccc1[N+](=O)[O-])/c1ccc(cc1)C,mutagenic
+O=C1c2cc(ccc2OC21CC2)C(=O)C,non-mutagenic
+CC(=O)O[C@H]1C[C@H](CC=C1C)C(=C)C,non-mutagenic
+ONc1ccc(c(c1)Cl)Cl,non-mutagenic
+NC(=O)NNC(=O)N,non-mutagenic
+OC1CCN(CC1)N=O,mutagenic
+COc1ccc2-c3nccc4c3c(C(=O)c2c1)c(OC)c(c4)OC,mutagenic
+[O-][N+](=O)c1cnc(n1C)c1nnc(s1)N,mutagenic
+CN[C@H]1C[C@H](O[C@H]([C@@H]1O)C)O[C@H]1C[C@](O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)c(OC)ccc2)C(=O)C,mutagenic
+CCCCN(CCCC)N,non-mutagenic
+Cc1c(C)c2ccccc2c2c1c(Cl)c1ccccc1n2,mutagenic
+Nc1ccc(c2c1C(=O)c1ccccc1C2=O)N,mutagenic
+Cn1sc(cc1=O)Cl,mutagenic
+Clc1cccc(c1)Br,non-mutagenic
+CC(c1ccccc1)C,non-mutagenic
+NC(=O)C=C,non-mutagenic
+[O-][N+](=O)c1cc(ccc1Cl)C(F)(F)F,non-mutagenic
+OC(=O)C1NC(C)c2c(C1)c1ccccc1[nH]2,non-mutagenic
+Cc1nc2c(s1)cccc2,non-mutagenic
+O=NN1CSCC1,mutagenic
+CC12OC1C1CCCCC1c1c2cccc1,non-mutagenic
+CCCCOc1cc2C(=O)CCc2c2c1c1ccccc1cc2,non-mutagenic
+OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)N(c1ccc(cc1)[N+](=O)[O-])N=O,mutagenic
+Cl[C@@H]1CO1,mutagenic
+Nc1ccc(cc1)/C=C/c1ccc(cc1)N,mutagenic
+CC(Nc1nc(N)nc(n1)Cl)C,non-mutagenic
+CC[C@H](COC(=O)/C=C/c1ccc(cc1)/N=C/c1ccc(cc1)OC)C,mutagenic
+[O-][N+](=O)c1cccc2c1nccc2,mutagenic
+OC1C(O)C=Cc2c1cccn2,non-mutagenic
+Cc1ccc2c(c1)cccn2,mutagenic
+C1CCC2(CC1)CO2,non-mutagenic
+C1CC[C@H]2[C@@H](C1)O2,mutagenic
+Cc1cc(C)cc(c1)C,non-mutagenic
+[O-][N+](=O)c1ccccc1Cl,mutagenic
+Cc1c2ccccc2c2c3c1ccc1c3c(cc2)ccc1,mutagenic
+COP(=S)(SCn1nnc2c(c1=O)cccc2)OC,mutagenic
+O=NN(CC(=O)O)CC(=O)O,mutagenic
+[O-][N+](=O)c1cc2ccc3c4c2c(c1)ccc4cc(c3)[N+](=O)[O-],mutagenic
+COC(=O)/C(=C/c1ccco1)/[N+](=O)[O-],non-mutagenic
+CC(=O)NNC(=O)c1ccccn1,non-mutagenic
+O=C1NC(=O)C(=C(Cl)Cl)C1Cl,mutagenic
+Cc1cnc2c(n1)c1nc(n(c1cc2)C)N,mutagenic
+Fc1cccc2c1c1cccnc1cc2,mutagenic
+OC1CC(O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)c(O)ccc2)C(=O)C,mutagenic
+CC(COC(=O)C(=C)C#N)C,non-mutagenic
+CC(=O)OCc1ccc(cc1)[N+](=O)[O-],mutagenic
+OC[C@]12[C@H](C=C(C(=O)[C@@H]1O)C)O[C@@H]1[C@]3([C@@]2(C)[C@@H](OC(=O)C)[C@@H]1O)OC3,non-mutagenic
+O=C(C1OC1)Nc1ccccc1,mutagenic
+CC1=CC[C@H]2[C@H](C1)[C@H](CC=C2C)C(C)(C)C,non-mutagenic
+COC(=O)[C@@]12O[C@@]2(C)[C@@](NC1=O)(C)O,mutagenic
+[O-][N+](=O)c1ccc2c3c1cccc3c1c3c2cccc3ccc1,mutagenic
+Cn1cnc(c1Sc1[nH]cnc2-c1ncn2)[N+](=O)[O-],mutagenic
+CCc1cccc(c1NC(=O)C)CC,non-mutagenic
+O[C@@H]1[C@@H](O)[C@@H](O[C@@H]1n1ccc(nc1=O)N)COP(=O)(O)O,non-mutagenic
+[O-][N+](=O)c1[nH]cnc1c1ccccc1,mutagenic
+CCCC(=O)OCCC(C)C,non-mutagenic
+CN(c1ccc(cc1)N=Nc1ccccc1C(=O)O)C,mutagenic
+[O-][N+](=O)c1cc(ccc1S(=O)(=O)O)[N+](=O)[O-],non-mutagenic
+CCOCn1cc(F)c(=O)n(c1=O)C(=O)c1cccc(c1)C(=O)Oc1nc(ccc1C#N)OC(=O)c1ccccc1,non-mutagenic
+O=CC(=C(Cl)Cl)Cl,mutagenic
+NC(=O)N/N=C/C(=O)O,non-mutagenic
+Fc1cnc2c(c1)c1ccccc1cc2,mutagenic
+Clc1ccc(c(c1)Cl)C(=O)O,non-mutagenic
+CC(=O)Nc1ccc2-c3c(Cc2c1)cc(cc3)NC(=O)C,mutagenic
+OC/C=C/C1(O)CCC2C1(C)CC(c1ccc(cc1)N(C)C)C1=C3CCC(=O)C=C3CCC21,non-mutagenic
+Cc1cnc2c(n1)c1nc(n(c1c(c2)C)C)N,mutagenic
+CC(CC(C(=O)O)NC(=O)COc1ccc(cc1Cl)Cl)C,non-mutagenic
+Cc1ccc(c(c1)N)O,mutagenic
+ClCC1=CC(=O)OC1,mutagenic
+Nc1ccc(cc1)c1cc(Cl)c(c(c1)Cl)N,mutagenic
+OCC1OC(OC2CCC3(C(=CCC4C3CCC3(C4CC4C3C(C)C(O4)(OC)CCC(COC3OC(CO)C(C(C3O)O)O)C)C)C2)C)C(C(C1O)OC1OC(CO)C(C(C1O)O)O)OC1OC(C)C(C(C1O)O)O,non-mutagenic
+COc1cc(N=Nc2ccc(cc2)N)c(cc1N=Nc1c(O)c2cc(N)ccc2cc1S(=O)(=O)O)C,mutagenic
+CCOC(=O)N(CCOC(=O)C)N=O,mutagenic
+[O-][N+](=O)c1cc(Cl)c(c(c1)[N+](=O)[O-])N,mutagenic
+Cc1cc2cc3ccccc3c3c2c2c1cccc2cc3,mutagenic
+CCOc1ccccc1N,non-mutagenic
+CCOP(=O)(O/C(=C\Br)/c1ccc(cc1Cl)Cl)OCC,non-mutagenic
+O=C1NCCN1c1nccs1,mutagenic
+OCC1OC(OC2CCC3(C(=CCC4C3CCC3(C4CC4C3C(C)C3(O4)CCC(CO3)C)C)C2)C)C(C(C1O)OC1OC(CO)C(C(C1O)O)O)OC1OC(C)C(C(C1O)O)O,non-mutagenic
+OC1c2ccccc2-c2c(C1O)c(Cl)c1c(c2)cccc1,non-mutagenic
+Oc1cc2cccc3c2c2c1c(ccc2cc3)[N+](=O)[O-],mutagenic
+Clc1cc(Cl)c2c(c1)c(/N=C/c1ccc(cc1)[N+](=O)[O-])sn2,mutagenic
+OCc1c(cccc1[N+](=O)[O-])[N+](=O)[O-],non-mutagenic
+N#CC(=C(C#N)C#N)C#N,non-mutagenic
+CCn1cc(C(=O)O)c(=O)c2c1c(F)c(N1CCNC(C1)C)c(c2)F,mutagenic
+C/C/1=C/CCC(=C)[C@H]2[C@@H](CC1)C(C2)(C)C,non-mutagenic
+OC1c2cccc3c2c2c(C1O)c1ccccc1cc2cc3,mutagenic
+CCSCCOP(=S)(OCC)OCC,mutagenic
+Nc1ccc(c(c1)N)N=Nc1cccc(c1)N=Nc1ccc(cc1N)N,mutagenic
+CC(=O)C(Cl)(Cl)Cl,mutagenic
+CC(c1cc(Sc2cc(c(cc2C)O)C(C)(C)C)c(cc1O)C)(C)C,non-mutagenic
+NC1c2ccccc2-c2c1cccc2,non-mutagenic
+Cc1c[nH]cn1,non-mutagenic
+CCCC[C@H](CN)CC,non-mutagenic
+c1ccc(cc1)Cc1ccc(cc1)C[C@H]1CO1,mutagenic
+Clc1cc2NC=NS(=O)(=O)c2cc1S(=O)(=O)N,non-mutagenic
+c1ccc2-c3c([C@@H]4[C@H](c2c1)O4)c1ccccc1c1c3cccc1,mutagenic
+C=C1[C@H]2CC[C@@H](C1(C)C)C2,non-mutagenic
+C[C@@H]1CC[C@H](C(=O)C1)C(C)C,mutagenic
+CC(=O)Nc1ccc2c(c1)nccc2,mutagenic
+O[C@@H]1Cc2c3c1ccc1c3c3c(c2)cccc3cc1,mutagenic
+C[C@@H](Nc1ccc(cc1)N[C@@H](CCC(C)C)C)CCC(C)C,non-mutagenic
+CC(=O)Nc1snc2c1cc(Cl)cc2,mutagenic
+OC(=O)c1cc(Cl)cc(c1)Cl,non-mutagenic
+C=CC(=C)Cl,non-mutagenic
+Cc1ccc(cc1)S(=O)(=O)OCC1OC1,mutagenic
+C/C(=C\C=C\C=C(\C=C\C=C(\C=C\C1=C(C)C(=O)CCC1(C)C)/C)/C)/C=C/C=C(/C=C/C1=C(C)C(=O)CCC1(C)C)\C,non-mutagenic
+[O-][N+](=Nc1ccc(c(c1)[N+](=O)[O-])C)c1ccc(c(c1)[N+](=O)[O-])C,non-mutagenic
+Nc1ccc(cc1)c1ccc(cc1)c1ccc(cc1)c1ccc(cc1)N,non-mutagenic
+CS(=O)(=O)OCCCNCCCOS(=O)(=O)C,mutagenic
+COc1nsc2c1cc(cc2)[N+](=O)[O-],mutagenic
+C=CC=C,mutagenic
+Cc1ccc(c(c1)[N+](=O)[O-])[N+](=O)[O-],mutagenic
+C=CC(=O)NC(CC(=O)C)(C)C,non-mutagenic
+CCOP(=S)(SCn1c(=O)oc2c1ccc(c2)Cl)OCC,non-mutagenic
+CCOP(=O)(SCCN(C(C)C)C(C)C)C,non-mutagenic
+COc1cc(CNC(=O)C(Br)C)ccc1O,mutagenic
+CN1CN(C)CSC1=S,mutagenic non-mutagenic
+[O-][N+](=O)c1cccc(c1C)N=[N+](c1cccc(c1C)[N+](=O)[O-])[O-],non-mutagenic
+OC(C(Cl)(Cl)Cl)(c1ccc(cc1)Cl)c1ccc(cc1)Cl,non-mutagenic
+C=CCN(CC=C)N=O,mutagenic
+OCc1ccc(cc1)F,non-mutagenic
+COc1cc(Cl)c(cc1Cl)OC,mutagenic
+CN(CCN(C)C)C,non-mutagenic
+Oc1c(Br)cc(cc1Br)C1(OS(=O)(=O)c2c1c(Br)c(Br)c(c2Br)Br)c1cc(Br)c(c(c1)Br)O,non-mutagenic
+NCC(=O)Nc1ccccc1,mutagenic
+O[C@H]1C=Cc2c([C@@H]1O)ccc1c2cc2cccc3c2c1C=C3,mutagenic
+N#Cc1cccc(c1)C#N,non-mutagenic
+c1ccc(cc1)Oc1ccccc1,non-mutagenic
+[O-][N+](=O)c1ccc2c(c1)cc[nH]2,mutagenic
+CC(CC(C(=O)O)NC(=O)COc1cc(Cl)c(cc1Cl)Cl)C,non-mutagenic
+Nc1ccc(cc1)c1ccc(c(c1)[N+](=O)[O-])N,mutagenic
+O=C=Nc1cccc(c1C)N=C=O,mutagenic
+OCc1ccc2c3c1ccc1c3c(cc2)ccc1,mutagenic
+ClCc1cccc2c1c1ccc3c4c1c(c2)ccc4ccc3,mutagenic
+c1ccc2c(c1)cc1c(c2)ccc2c1cccc2,mutagenic
+[O-][N+](=O)c1cc2ccccc2c2c1cccc2[N+](=O)[O-],mutagenic
+OCCNc1ccc(cc1)N=Nc1ccc(cc1)N(CCO)CCO,non-mutagenic
+Cc1ccc(cc1)C(O)(C)C,non-mutagenic
+OCC1OC(C(C1O)O)n1cnc2c1nc(N)nc2NO,mutagenic
+[O-][N+](=O)c1ccc(cc1)S(=O)(=O)O,non-mutagenic
+OC(=O)C(Cc1ccc(c(c1)O)O)(N)C,non-mutagenic
+ClCc1ccccn1,mutagenic
+c1cc2cc3ccc4c(c3c3c2c(c1)C1OC31)cccc4,mutagenic
+CC(=O)/C=C\c1ccccc1,mutagenic
+CCc1ccccc1NC(=O)c1csc(c1)[N+](=O)[O-],mutagenic
+Clc1cccc(n1)C(Cl)(Cl)Cl,mutagenic
+NC(=N)NC#N,mutagenic
+OCCN(C)C,non-mutagenic
+CCCCCOc1ccc(cc1)N=O,mutagenic
+ClCCNc1ccc(cc1)C,mutagenic
+Cc1ccccc1O,non-mutagenic
+BrCC(CCOP(=O)(OCCC(CBr)Br)OCCC(CBr)Br)Br,non-mutagenic
+COc1ccc2c(c1)cc1-c3cccc4c3c(-c1n2)ccc4,mutagenic
+N#CC(Cl)(Cl)Cl,mutagenic
+O=C1C=CC(=O)c2c1c(O)ccc2,mutagenic
+O=c1oc2ccc(cc2c2c1cccc2)[N+](=O)[O-],mutagenic
+Clc1ccc(c(c1)Cl)Cn1c(/C=N/OCc2ccccc2[N+](=O)[O-])nc2c1ccc(c2)[N+](=O)[O-],mutagenic
+C[C@@H]1O[C@@H]1C,mutagenic
+ClCCN(c1ccc(cc1)C[C@H](C(=O)O)N)CCCl,mutagenic
+C[C@H](c1ccc2c3c1ccc1c3c(cc2)ccc1)O,mutagenic
+Oc1ncc(c(n1)O)F,non-mutagenic
+CCCCSCCC(C(=O)O)N,non-mutagenic
+O=C1c2ccccc2C(=O)c2c1ccc(c2N)C,mutagenic
+[O-][N+](=O)c1cc([N+](=O)[O-])c2c(c1O)cc(cc2)S(=O)(=O)O,mutagenic
+O=C(C1=C(O)c2sccc2S(=O)(=O)N1C)Nc1ccccn1,non-mutagenic
+CCN(c1ccc2c(c1)oc1-c(c2c2ccc(cc2S(=O)(=O)O)S(=O)(=O)O)ccc(=[N+](CC)CC)c1)CC,mutagenic
+COC(=O)C1(OC1(CC)C(O)C)C(=O)N,non-mutagenic
+Nc1ccc(cc1)S(=O)(=O)c1ccc(cc1)N,non-mutagenic
+Oc1ccc2-c3c(Cc2c1)cc(cc3)[N+](=O)[O-],mutagenic
+OS(=O)(=O)c1cc2cc(c(c(c2c(c1N=Nc1ccc(cc1)N=Nc1ccc(cc1N)N)O)N)N=Nc1ccc(cc1)N=Nc1ccc(cc1N)N)S(=O)(=O)O,mutagenic
+OC1C(O)c2cccc3c2c2c1ccc(c2cc3)[N+](=O)[O-],mutagenic
+Oc1ccc2c(c1)c1c(cc2)ccc2c1nc([nH]2)C,mutagenic
+c1ccc(cc1)c1nc2c(o1)cccc2,non-mutagenic
+CC(ON(C(=O)c1ccccc1)OC(=O)C)C,mutagenic
+CC(c1cc(ccc1N)c1ccccc1)C,mutagenic
+ClCc1cc2cccc3c2c2c1c1ccccc1cc2cc3,mutagenic
+COC1=CC(=O)c2c(C1=O)nc(c1c2[nH]c2c1cccc2)C,mutagenic
+[O-][N+](=O)c1cc2c(cc1N)[nH]c1c2cccc1,mutagenic
+CCS,non-mutagenic
+FC(Br)(Cl)F,non-mutagenic
+N#N=NCc1ccccc1,mutagenic
+Cn1c2ccccc2c2c1cccc2,mutagenic
+CC/C=C\C#N,non-mutagenic
+O=Nc1ccc2c3c1ccc1c3c(cc2)c2c(c1)CCCC2,mutagenic
+COc1cc2c(cc1OC)OC[C@H]1[C@H]2C(=O)c2c(O1)c1C[C@H](Oc1cc2)C(=C)C,non-mutagenic
+OCc1ccc2-c3c4c(-c2c1)cccc4ccc3,mutagenic
+COC(=O)CCCC(=O)OC,non-mutagenic
+NC(=N)c1ccccc1,non-mutagenic
+CN(c1ccc2c(c1)ccc([n+]2C)/C=C/c1cc(n(c1C)c1ccccc1)C)C,mutagenic
+BrN1C(=O)CCC1=O,mutagenic
+S=c1c2cc3OCCOCCOCCOCCOCCOCCOc4cc1c(n(c2cc3)C)cc4,non-mutagenic
+CNC(=O)NO,non-mutagenic
+Cc1ccc(c(c1)C(=O)O)[N+](=O)[O-],mutagenic
+[O-][N+](=O)c1ccc(cc1)O[C@@H]1OC1,mutagenic
+NCCS(=O)(=O)O,non-mutagenic
+Nc1ccccc1S(=O)(=O)O,mutagenic
+[O-][n+]1ncc2c(c1)nccc2,non-mutagenic
+Cc1ccc2-c3c4c(-c2c1)cc1ccccc1c4cc1c3cccc1,mutagenic
+Cc1ccc2c(c1)ccc1c2cc2ccccc2c1,mutagenic
+CN(N)C,mutagenic
+c1ccc2-c3c(Cc2c1)ccc1c3c2ccccc2cc1,non-mutagenic
+c1ccc2c(c1)cncc2,non-mutagenic
+O=C(Cn1ccnc1[N+](=O)[O-])NCc1ccccc1,mutagenic
+CCCCCCCCC1OC1CCCCCCCC(=O)OCC(CCCC)CC,non-mutagenic
+Nc1cccc(c1)S(=O)(=O)O,non-mutagenic
+[O-][N+](=O)c1ccc2c(c1)CC=C2,mutagenic
+OC(=O)CCN=N#N,mutagenic
+Oc1ccc2c(c1N=Nc1ccc(c(c1)S(=O)(=O)O)c1ccc(cc1S(=O)(=O)O)N=Nc1c(O)ccc3c1cccc3)cccc2,non-mutagenic
+OC1C2OC2c2c(C1O)c1ccc3c(c1cc2)cccc3,mutagenic
+OC(COc1ccc(cc1C1CCCC1)O)CNC(C)(C)C,non-mutagenic
+CCCCC(CCCC)(CCC)S,non-mutagenic
+FC(c1ccccc1)(F)F,non-mutagenic
+O=C(c1ccccc1N)OC1CCCCC1,non-mutagenic
+N#N=Nc1nc2c(n1C)c1ccccc1cc2,mutagenic
+NC1CC(C)(C)N(C(C1)(C)C)O,mutagenic
+ON1C(=O)CCC1=O,non-mutagenic
+CCOC(=O)CC(=O)C,non-mutagenic
+CC(=O)ON(C(=O)c1ccccc1)OCc1ccccc1,mutagenic
+C=C[C@H](c1ccc(c2c1cccc2)OC)OC(=O)C,mutagenic
+c1ccc2c(c1)ccc1c2c2C=CCc2cc1,mutagenic
+[O-][N+](=O)c1cc(ccc1O)c1cccc(c1O)[N+](=O)[O-],non-mutagenic
+Nc1ccc(cc1)c1ccccc1,mutagenic
+CCc1c2C3OC3c3c(-c2cc2c1cccc2)cccc3,mutagenic
+OC(c1ccccc1)CN=N#N,mutagenic
+CC(Br)C,mutagenic
+N#CSc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],mutagenic
+OCCn1c(C)ncc1[N+](=O)[O-],mutagenic
+O=NSCC(C(=O)N(C(=O)CCC(C(=O)O)N)CC(=O)O)N,mutagenic
+NC(=O)N(c1ccccc1)c1ccccc1,non-mutagenic
+ONc1cccc2c1cccc2,mutagenic
+OC1C(O)C2OC2c2c1ccc1c2cc2c(n1)ccc1c2cccc1,mutagenic
+C=CC(=O)OC[C@H]1CO1,mutagenic
+O=Nc1ccc2c3c1ccc1c3c(cc2)cc2c1cccc2,mutagenic
+CCCCCCc1ccc(cc1)c1ccc(cc1)C#N,non-mutagenic
+SCCC(=O)N1C(CSC1c1ccccc1O)C(=O)O,non-mutagenic
+CC1=CC(C)(C)Nc2c1cccc2,non-mutagenic
+CCCCCCCCCCCCCC(=O)O,non-mutagenic
+C[C@@H]1OCCc2c1cc1c(c2)C([C@@H](C1(C)C)C)(C)C,non-mutagenic
+O=NN(C(=O)c1ccccc1)C,mutagenic
+COC(=O)[C@@H]1c2cc3c(c(c2[C@H](C[C@@]1(O)CC)O[C@@H]1C[C@H](N)[C@H]([C@@H](O1)C)O)O)C(=O)c1c(C3=O)c(O)ccc1O,mutagenic
+CCn1cc(C(=O)O)c(=O)c2c1c(F)c(c1ccc(cc1)O)c(c2)F,mutagenic
+NC(=O)N(c1ccccc1)c1ccc(cc1)C(=O)O,mutagenic
+OCCN(c1ccc(c(c1)Cl)N=Nc1c(Cl)cc(cc1Cl)[N+](=O)[O-])CCO,mutagenic
+COc1ccc2c(-c3nccc4c3c(C2=O)c(OC)c(c4)OC)c1,mutagenic
+Cc1cccc2c1ccc1c2ccc2c1cccc2,mutagenic
+Cc1cnc2c(n1)c(C)cc1c2nc(n1C)N,mutagenic
+Oc1cccc2c1cccn2,mutagenic
+Oc1cc2cccc3c2c2c1cc1ccccc1c2cc3,mutagenic
+CN(CCNC(=O)c1cccc2c1oc(c2)c1ccccc1)C,mutagenic
+O=c1oc2ccc(c3c2c2c1cccc2cc3)[N+](=O)[O-],mutagenic
+OCc1ccc2-c1cc(ccc2C)C(=C)C,mutagenic
+C[C@@H]1CC[C@H](CC1)C(C)C,non-mutagenic
+O=C1C(=O)c2ccccc2-c2c1cccc2,non-mutagenic
+CC(=O)Nc1ccc2c3c1ccc1c3c(c(=O)c2=O)ccc1,mutagenic
+ONc1ccc(cc1C(C)(C)C)c1ccccc1,mutagenic
+O/N=C/c1ccccn1,non-mutagenic
+ClCCCCN(COC(=O)C)N=O,mutagenic
+COc1cc2O[C@@H]3[C@H](c2c2c1c1[C@@H](O)C[C@@H](c1c(=O)o2)O)C=CO3,mutagenic
+CNC(=O)Oc1cccc2c1cccc2,mutagenic non-mutagenic
+Nc1cc(C)c(c(c1)[N+](=O)[O-])N,mutagenic
+ClCc1ccc2c3c1ccc1c3c(cc2)cc2c1cccc2,non-mutagenic
+CC(=O)Nc1nc(NC(=O)C)nc(n1)c1ccc(o1)[N+](=O)[O-],mutagenic
+BrC(C(Br)Br)Br,non-mutagenic
+Nc1cccc2c1ccc1c2cccc1,mutagenic
+CN1CCN(CC1)c1cc2c(cc1F)n1c(n2C2CC2)cc(=O)[nH]c1=O,mutagenic
+Cc1ccccc1,non-mutagenic
+COc1nncc2c1cccn2,non-mutagenic
+OCc1ccc(cc1)NNC(=O)CC[C@@H](C(=O)O)N,mutagenic
+[O-][N+](=O)c1c2C=CCCc2c2c3c1ccc1c3c(cc2)ccc1,mutagenic
+COC(=O)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(\C=C\C(=O)OC)/C)\C)/C)/C,mutagenic
+O=Nc1n(C)cnc1c1ccccc1,mutagenic
+c1ccc2c(c1)c1ccc3c(c1cc2)cccn3,mutagenic
+C1C2SCC=CN2C1=O,non-mutagenic
+CSCCC=O,non-mutagenic
+OCC(CNC(=O)c1c(I)c(N(C(=O)C)CC(CN(c2c(I)c(C(=O)NCC(CO)O)c(c(c2I)C(=O)NCC(CO)O)I)C(=O)C)O)c(c(c1I)C(=O)NCC(CO)O)I)O,non-mutagenic
+[O-][N+](=O)c1cc2c(cc1O)[nH]c1c2cccc1,mutagenic
+[O-][N+](=O)c1ccc(o1)/C=C(/C(=O)OC)\C,mutagenic
+COc1cccc2c1C(=O)c1c(C2=O)cccc1,mutagenic
+CN(c1ccc(cc1)C(c1ccc(cc1)N(C)C)c1ccccc1)C,non-mutagenic
+CCCCCCNCCCCCC,non-mutagenic
+O=C1[C@@]2(C)CC[C@@H](C1(C)C)C2,non-mutagenic
+ClC(=C)C=O,mutagenic
+[O-][N+](=O)c1c2ccccc2cc2c1cccc2,mutagenic
+CC(CCCCCOC(=O)Cc1cc(Cl)c(cc1Cl)Cl)C,non-mutagenic
+N#CC1=C(SCCS1)C#N,non-mutagenic
+BrC(C=O)CBr,mutagenic
+[O-][N+](=O)c1ccc(c(c1)O)N,mutagenic
+Cc1ccc(o1)C=O,non-mutagenic
+O=CN(N=O)C,mutagenic
+OCC(C(CO)O)O,non-mutagenic
+c1ccc(cc1)NN=Nc1ccccc1,mutagenic
+Clc1ccc(cn1)Cl,non-mutagenic
+OC(=O)C1=CC(N(C1(C)C)O)(C)C,non-mutagenic
+CC(CN(CC(C)C)N)C,mutagenic
+Cc1cc(C)c2c(n1)cc(c(c2)C)N,mutagenic
+N#Cc1ccc(cc1)C[C@]12C[C@@H](CN2C(=O)N(C1=O)c1cc(Cl)cc(c1)Cl)N=[N+]=[N-],mutagenic
+Cc1ccc(c(c1)[N+](=O)[O-])C,mutagenic
+O=C1C=CC(=O)C=C1c1ccccc1,non-mutagenic
+O=C(c1ccccc1)N(OC(=O)C)OCc1ccc(cc1)C(C)(C)C,mutagenic
+CC(=O)Nc1scc(n1)c1scc(c1)[N+](=O)[O-],mutagenic
+CCCN(c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])CCC,mutagenic non-mutagenic
+OC(=O)c1ccco1,non-mutagenic
+[O-][N+](=O)OOC(=O)C,mutagenic
+Cc1ccccc1N=Nc1c(O)ccc2c1cccc2,mutagenic
+OC(=O)CCC(=O)OC[C@@H]([C@H](c1ccc(cc1)[N+](=O)[O-])O)NC(=O)C(Cl)Cl,non-mutagenic
+CCOC(=O)CC(C)C,non-mutagenic
+COc1nsc2c1cc(N)cc2,mutagenic
+O=NN(C(=N)N[N+](=O)[O-])C,mutagenic
+O=C(c1ccccc1)[C@@H]1O[C@H]1c1ccc(cc1)[N+](=O)[O-],non-mutagenic
+O[C@@H]1[C@H]2O[C@H]2c2c([C@H]1O)cc1c(c2)c2ccccc2cc1,mutagenic
+OCc1ccc2c(c1)c(C)c1c(-c3ccccc3C3C1O3)n2,non-mutagenic
+Fc1cccc2c1cc1-c3cccc4c3c(-c1c2)ccc4,mutagenic
+Fc1ccc2-c3c(-c4c2c1ccc4)cc1c(c3)cccc1,mutagenic
+Br[C@H](CBr)COC(=O)C=C,mutagenic
+CC(=O)Nc1ccc(cc1)N=Nc1ccc(cc1)N(C)C,mutagenic
+Oc1ccccc1Cl,non-mutagenic
+Nc1cc2ccccc2c2c1cccc2,mutagenic
+[O-][N+](=O)c1cccc2c1c1cccc(c1c(c2)[N+](=O)[O-])[N+](=O)[O-],mutagenic
+OCCN(N=O)CCO,mutagenic
+O=C(c1csc(c1)[N+](=O)[O-])Nc1ccc(cc1)[N+](=O)[O-],mutagenic
+C=CC(=O)OCCN(C)C,non-mutagenic
+ClCCNCCCl,mutagenic
+O=C(Nc1cc(Cl)c(c(c1)Cl)Cl)CCC(=O)O,non-mutagenic
+COc1ccc2c(c1)c1c(OC)c(OC)cc3c1c(c2)N(C)CC3,non-mutagenic
+Fc1ccc(c2c1ccc1c2cccn1)F,mutagenic
+COc1ccc(cc1)c1nc(c([nH]1)c1ccccc1)c1ccccc1,mutagenic
+Clc1ccc(cc1)NS(=O)(=O)c1cccc2c1nccc2,non-mutagenic
+C1OCCO1,non-mutagenic
+CNc1ccc(cc1)C(=C1C=CC(=[N+](C)C)C=C1)c1ccc(cc1)N(C)C,mutagenic
+COC(=O)c1oc(c(c1c1ccccc1)c1ccccc1)N(C(=O)C)OC(=O)C,non-mutagenic
+BrCC(CBr)Br,mutagenic
+[O-][N+](=O)c1ccc2-c3c(C(=O)c2c1)cccc3,mutagenic
+CC/C=C/C/C=C/C/C=C/CCCCCCCC(=O)O,non-mutagenic
+CC(=O)Nc1scc(n1)c1ccc(o1)[N+](=O)[O-],mutagenic
+CC(=O)Nc1ccnc2c1cccc2,non-mutagenic
+CNP(=S)(N1CC1)N1CC1,mutagenic
+BrCc1c2ccc3c4c2c2c5c1cccc5ccc2cc4ccc3,mutagenic
+ClCCN(c1ccc(cc1)CCCC(=O)O)CCCl,mutagenic
+Nc1ccc2c(c1)nc1c(n2)c(N)ccc1,mutagenic
+CSCC(C(=O)NC(C(C(=O)N1CSCC1C(=O)NC(C)(C)C)O)Cc1ccccc1)NC(=O)COc1cccc2c1ccnc2,non-mutagenic
+CCCCN(CCCO)N=O,mutagenic
+[O-][N+](=O)c1cc(N)c(c(c1)[N+](=O)[O-])O,mutagenic
+CC(Br)Br,non-mutagenic
+BrCCOC(=O)C=C,mutagenic
+Cl/C(=C(\C(F)(F)F)/Cl)/SSc1ccccc1[N+](=O)[O-],mutagenic
+OCCCCO,non-mutagenic
+Cc1nc2c(nc1C)c(C)cc1c2nc(n1C)N,mutagenic
+COP(=S)(OC)Cl,non-mutagenic
+O=C(c1ccc(cc1)Cl)NCOC(=O)C,non-mutagenic
+[O-][N+](=O)c1c(nc2n1CCS2)c1ccc(cc1)[N+](=O)[O-],mutagenic
+COc1cccc(c1O)C=O,non-mutagenic
+[O-][N+](=O)c1ccc2c(c1)c1ccccc1s2,mutagenic
+OCCc1c[nH]c2c1cccc2CC,non-mutagenic
+CC12OOC2(C)c2c(O1)cccc2,mutagenic
+COC(=O)c1ccccc1N,non-mutagenic
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(c3c2cccc3)ccc1,mutagenic
+O=Cc1ccc(cc1)[N+](=O)[O-],mutagenic
+Cc1ccc(cc1)S(=O)(=O)NC1CCCCC1,non-mutagenic
+ICI,non-mutagenic
+CN1CCN(CC1)c1cc2c(cc1F)n1c(n2C2CC2)cc(=O)n(c1=O)O,mutagenic
+N#N=NCC(C(=O)O)NC(=O)OC(C)(C)C,mutagenic
+ClC([C@@H](c1ccccc1Cl)c1ccc(cc1)Cl)Cl,non-mutagenic
+BrC(C1=C(Br)C(=O)OC1O)Br,mutagenic
+CC(=O)Nc1cccc(c1C(=O)O)N,mutagenic
+OCCNC(=O)c1c(C)[n+]([O-])c2c([n+]1[O-])cccc2,mutagenic
+CCCCCC(=O)Cc1cc(O)cc2c1C(=O)Oc1c(O2)c(CCCCC)c(c(c1)O)C(=O)O,non-mutagenic
+C/C=C\C=O,mutagenic
+OC1C(O)c2ccc3c4c2c2=C1c1ccccc1-c2cc4ccc3,non-mutagenic
+OC(=O)/C=C/c1ccc(c(c1)O)O,non-mutagenic
+Fc1cnc2c(c1)c(F)ccc2,non-mutagenic
+N#CCCC(=O)CCc1ccc(cc1)C(=O)O,mutagenic
+CCCCCl,non-mutagenic
+NNCCO,mutagenic
+COc1cc(cc(c1O)OC)C(=O)C,non-mutagenic
+N#Cc1cccc(c1)/C=C/c1ccc(cc1)[N+](=O)[O-],mutagenic
+ClC(C[C@@H]1OC1)(Cl)Cl,mutagenic
+CC(=O)OC=C,non-mutagenic
+OC[C@H]([C@H]([C@@H]([C@H](CO)O)O)O[C@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)O,non-mutagenic
+C1CCc2c(C1)ccc1c2cc2-c3ccccc3CCc2c1,mutagenic
+[O-][N+](=O)c1cccc(c1N)C,mutagenic
+ClCC12C(Cl)C(C(C2(CCl)CCl)CC1(Cl)Cl)Cl,non-mutagenic
+C[Si](O[Si](C)(C)C)(O[Si](C)(C)C)C,non-mutagenic
+CCCN(CCCC(=O)O)N=O,mutagenic
+OC1C=Cc2c(C1O)cc(c1c2cc2ccccc2c1)C,mutagenic
+CCCCO,non-mutagenic
+ICCc1ccccc1,non-mutagenic
+O=NN(C(=O)O/N=C(\SC)/C)C,mutagenic
+O=C(c1ccc(c(c1)Cl)Cl)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)c1ccc(c(c1)Cl)Cl,mutagenic
+ClC(=C(c1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl)Cl)Cl,non-mutagenic
+CCCCCCCCSCN1C=CN(C1)C,non-mutagenic
+O1C2C1c1cccc3c1-c1c2cccc1C1C3O1,mutagenic
+O=S1(=O)CC=CC1,non-mutagenic
+CCCCCCC=C,non-mutagenic
+CCCCC1CO1,non-mutagenic
+S=P(N1CC1)(N1CC1)N1CC1,mutagenic
+Fc1c(F)c(F)c(c(c1F)Cl)F,non-mutagenic
+CNP(=O)(N(C)C)N(C)C,mutagenic
+Brc1cc(Br)cc(c1c1c(Br)cc(cc1Br)Br)Br,non-mutagenic
+CC(=O)Nc1ccc2-c3c(Cc2c1OC(=O)C)cccc3,non-mutagenic
+[O-][N+](=O)c1ccc2c(c1)c1cc(ccc1o2)[N+](=O)[O-],mutagenic
+ClCC#N,non-mutagenic
+CN(CCN(c1ccccn1)Cc1cccs1)C,non-mutagenic
+O=C1C(=C(Cl)C(=O)c2c1cccc2)Cl,mutagenic
+[O-][N+](=O)c1cc2ccccc2c2c1cccc2,mutagenic
+Oc1ccc(c2c1c(O)c1ccccc1c2O)O,mutagenic
+C[C@H]1C[C@@H](C)C(=O)[C@H](C1)[C@H](CC1CC(=O)NC(=O)C1)O,non-mutagenic
+OC(=O)c1cccc(c1)[N+](=O)[O-],mutagenic
+Clc1ccc(cc1N)C(F)(F)F,non-mutagenic
+c1cnc2c(c1)C1OC1CC2,non-mutagenic
+CCCCOC(=O)/C=C\C(=O)OCCCC,non-mutagenic
+CCCCN(CCCC(=O)O)N=O,mutagenic
+Nc1ccc(cc1Cl)Cc1cc(O)c(c(c1)Cl)N,non-mutagenic
+C1CCC2(CO1)CO2,mutagenic
+O[C@@H]1C=Cc2c([C@H]1O)ccc1c2cc2ccccc2c1C,mutagenic
+CCSc1cc(ccc1N)Cc1ccc(c(c1)SCC)N,mutagenic
+CC([N+](=O)[O-])(C)C,non-mutagenic
+CCCCCCCCCC=C,non-mutagenic
+CCC[C@H](C[C@@H]([C@@H](OC(=O)C[C@H](C(=O)O)CC(=O)O)C[C@@H](C[C@@H](CCCC[C@@H](C[C@@H]([C@@H](N)C)O)O)O)C)OC(=O)C[C@H](C(=O)O)CC(=O)O)C,non-mutagenic
+[O-][N+](=O)c1cc(cc2c1cccc2)[N+](=O)[O-],mutagenic
+CC(CCCCCCCOP(=O)(Oc1ccccc1)Oc1ccccc1)C,non-mutagenic
+OCC(CBr)(CBr)CBr,mutagenic
+Cc1c2cnccc2c(c2c1c1ccccc1[nH]2)C,mutagenic
+[O-][n+]1ncc2c(c1)ccnc2,non-mutagenic
+COc1ccc(cc1)N=O,mutagenic
+CCOP(=S)(Oc1cc(C)nc(n1)C(C)C)OCC,non-mutagenic
+N#CCCCCC#N,non-mutagenic
+COc1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl,mutagenic
+ONc1ccc(cc1Cl)Cc1ccc(c(c1)Cl)N,mutagenic
+COc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],mutagenic
+COc1ccc2c3c1cccc3OC(=C2)[N+](=O)[O-],mutagenic
+[O-][N+](=O)c1cc[n+](c2c1cccc2)[O-],mutagenic
+N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)(C)C,non-mutagenic
+CC(OC[C@@H]1OC1)C,mutagenic
+Cc1ccccc1Cl,non-mutagenic
+O=C1OC2=CCO[C@H](C2=C1)O,non-mutagenic
+O=C=Nc1ccc(cc1)N=C=O,non-mutagenic
+COP(=S)(SCN1C(=O)c2c(C1=O)cccc2)OC,mutagenic
+CCCCOCCOCCOCCCC,non-mutagenic
+C=Cc1ccccn1,non-mutagenic
+CN(CCOC(=O)C(=C)C)C,mutagenic
+ClCCCC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)CCCCl,mutagenic
+COc1cccc2c1C1(C)OOC1(O2)C,mutagenic
+Cc1cnc2c(n1)c(C)c1c(c2)nc(n1C)N,mutagenic
+Cc1ccc2c3c1ccc1c3c(C2)ccc1,mutagenic
+Cc1cnc2c(n1)c1nc(n(c1c(c2C)C)C)N,mutagenic
+Cc1ccc2c(c1)cc1c3c2ccc2c3c(cc1)ccc2,mutagenic
+CN(CCNC(=O)c1cccc2c1ncc1c2cccc1)C,mutagenic
+N#N=Nc1nc2c(n1C)cc(cn2)c1ccccc1,mutagenic
+Fc1cccc(c1)NC(=O)c1csc(c1)[N+](=O)[O-],mutagenic
+Br/C(=C\c1ccccc1)/[N+](=O)[O-],mutagenic
+CC(Cl)C,mutagenic
+CCO,non-mutagenic
+O=C1C(=CC(=O)c2c1cccc2)Nc1ccccc1,mutagenic
+OC(=O)C[C@@H](C(=O)O)C,non-mutagenic
+OC[C@@H]1SCCN1N=O,mutagenic
+OCCNC(=O)C(O)C,mutagenic
+Cc1cc2c(c3c1cccc3)ccc1c2cccc1,mutagenic
+O=C(NC(C(=O)O)Cc1c[nH]c2c1cccc2)COc1cc(Cl)c(cc1Cl)Cl,non-mutagenic
+OC1C(O)C=Cc2c1cc1ccc3c4c1c2ccc4ccc3O,mutagenic
+Cc1c(C)c2nccnc2c2c1n(C)c(n2)N,mutagenic
+CC(=O)OCCOCCOCCOC(=O)C,mutagenic
+CC(OOC(C)(C)C)(CCC(OOC(C)(C)C)(C)C)C,non-mutagenic
+Oc1ccc(cc1O)C(C)(C)C,non-mutagenic
+Clc1ccc2c(c1)cccc2,non-mutagenic
+CCCCCC(=O)OCC,non-mutagenic
+OCC(C)C,non-mutagenic
+OC(=O)C(CSc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])N,mutagenic
+CC(=O)N(c1ccc2-c3c(Cc2c1)cccc3)Cl,mutagenic
+[O-][N+](=O)c1ccc(o1)/C=C/C(=O)OCCCC,mutagenic
+O=Nc1ccc(cc1Cl)Cc1ccc(c(c1)Cl)N,non-mutagenic
+c1ccc2c(c1)c1ccc3c4c1c(c2)c1ccccc1c4ccc3,mutagenic
+COS(=O)(=O)C(F)(F)F,mutagenic
+NNC(=O)c1ccncc1,mutagenic
+CCOc1cc2C(=O)CCc2c2c1c1ccccc1cc2,non-mutagenic
+COc1c2c(OC3C2C=CO3)cc2c1c(=O)c1c(o2)ccc(c1OC)Cl,mutagenic
+c1ccc2c(n1)c1ccc3c(c1cc2)cccn3,mutagenic
+CC(=O)Nc1ccc(c2c1c(O)c(N=Nc1ccc(c3c1cc(cc3)S(=O)(=O)O)N=Nc1ccc(cc1)S(=O)(=O)O)c(c2)S(=O)(=O)O)S(=O)(=O)O,non-mutagenic
+C[C@H](C(=O)NCC(=O)O)S,non-mutagenic
+COc1c2c(ccc(c2cc(c1c1cc(OC(=O)C)c2c(c1OC(=O)C)cc(cc2OC)C)C)OC(=O)C)OC(=O)C,non-mutagenic
+OC(=O)Cc1ccccc1[N+](=O)[O-],mutagenic
+OCCN(CC(=O)N(C(Cc1ccccc1)(C)C)C)CC(=O)N(C(Cc1ccccc1)(C)C)C,non-mutagenic
+CCN(CCC[C@H](Nc1c2cc(OC)ccc2nc2c1ccc(c2)Cl)C)CC,mutagenic
+COS(=O)(=O)C,mutagenic
+Nc1ccc2c(c1)c(O)c(c(c2)S(=O)(=O)O)N=Nc1ccc(cc1)c1ccc(cc1)N=Nc1ccc(c(c1)C(=O)O)O,mutagenic
+[O-][N+](=O)c1c2ccc3c(c2cc2c1cccc2)cccc3,non-mutagenic
+OS(=O)(=O)c1cc(ccc1/C=C/c1ccc(cc1S(=O)(=O)O)Nc1nc(Nc2ccccc2)nc(n1)N1CCOCC1)Nc1nc(Nc2ccccc2)nc(n1)N1CCOCC1,non-mutagenic
+FC(C(F)(F)F)Cl,non-mutagenic
+CCCCCCCCCCCCOS(=O)(=O)O,non-mutagenic
+C[C@@H]1CCC(=C(C)C)C(=O)C1,non-mutagenic
+CC(=O)c1cccc2c1OC1(C2(C)OO1)C,mutagenic
+BrCc1c2ccccc2cc2c1c1ccccc1cc2,mutagenic
+ClCC=O,mutagenic
+CCC(Nc1snc2c1cccc2)C,non-mutagenic
+OCc1cc2ncc(nc2c2c1n(C)c(n2)N)C,mutagenic
+NC(=O)Nc1ccc(cc1)C,non-mutagenic
+CC(=O)OC[C@H]1O[C@@H](Oc2cccc3c2C(=O)c2c(C3=O)cccc2O)[C@@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)OC(=O)C,mutagenic
+ClCCC(=O)N(c1snc2c1cccc2)C,mutagenic
+CNC(=O)[C@H](SCCSP(=O)(OC)OC)C,mutagenic
+NC(=O)Nc1cccc2c1nccc2,non-mutagenic
+c1ccc2c(c1)c1ccc3c4c1c(c2)ccc4cc1c3cccc1,mutagenic
+OC1C2OC2c2c(C1O)ccc1c2cc2cccc3c2c1C=C3,mutagenic
+CC1CCCO1,non-mutagenic
+O=C(C(Cl)(Cl)Cl)Nc1snc2c1cc(C)cc2,mutagenic
+NC(=O)N,non-mutagenic
+Oc1ccc(cc1)[N+](=O)[O-],non-mutagenic
+C[C@H]1CC(=O)O1,mutagenic
+CSCCC(C(=O)O)N,non-mutagenic
+O=c1c2cccc3c2c2c(c1=O)c(ccc2cc3)[N+](=O)[O-],mutagenic
+ONc1nc2c(n1C)ccc1c2nc(C)cn1,mutagenic
+ClC(C(=CC(=O)O)C(Cl)Cl)Cl,mutagenic
+O=C1CCC(=O)N1c1cc(Cl)cc(c1)Cl,non-mutagenic
+CC1(C)C2CCC3(C1C2)CO3,non-mutagenic
+Clc1cc(ccc1N=Nc1c2ccc(cc2cc(c1N)S(=O)(=O)O)S(=O)(=O)O)c1ccc(c(c1)Cl)N=Nc1c2ccc(cc2cc(c1N)S(=O)(=O)O)S(=O)(=O)O,non-mutagenic
+Ic1ccc2c(c1)c(N)c1c(n2)cccc1,mutagenic
+O=NN(C(=O)N)CC(=O)O,non-mutagenic
+O[C@H]1O[C@@H](O)[C@]2([C@H](C1)[C@@H](C)C[C@@H]1[C@H](C2)C(=C)C(=O)O1)C,mutagenic
+CCCCCC[N+](=O)[O-],non-mutagenic
+CN(C(=O)OCC)N=O,mutagenic
+O=C(N(OC(=O)c1ccccc1)OCc1ccccc1)c1ccccc1,mutagenic
+COC(=O)c1ccc(cc1)N=Nc1ccc(cc1)N(OC(=O)C)C,mutagenic
+CC(=O)OCC12OOC2(C)c2c(O1)cccc2,mutagenic
+CCOC(=O)C1OC1C(=O)NC(C(=O)NCCC(C)C)CC(C)C,non-mutagenic
+[O-][N+](=O)c1nccn1C,mutagenic
+Fc1ccc(c(c1)[N+](=O)[O-])F,mutagenic
+CCCN=NC(OO)(C)C,mutagenic
+Fc1ccc2c(c1)nccc2,mutagenic
+BrC=C,mutagenic
+O=NN([C@@H](c1ccccc1)OC(=O)C)C,mutagenic
+O=C/C=C\c1ccco1,non-mutagenic
+N[C@H](C(=O)O)CCC(=O)NNc1ccccc1,mutagenic
+Cc1cc(ccc1N)N=Nc1ccccc1C,mutagenic
+CCOC(=O)[C@@H](c1ccccc1)SP(=S)(OC)OC,non-mutagenic
+C[n+]1c2ccccc2cc2c1cccc2,mutagenic
+Cc1cc(N)cc(c1)N,non-mutagenic
+N#CC(C(C#N)(C)C)(C)C,non-mutagenic
+Cc1ccc(c(c1)C)[N+](=O)[O-],mutagenic
+CN(c1ccc(cc1)N=Nc1ccc(cc1)S(=O)(=O)O)C,non-mutagenic
+CC(c1ccc(c(c1)O)C)C,non-mutagenic
+Oc1cccc2c1C(=O)c1ccccc1C2=O,mutagenic
+NCCNc1cccc2c1cccc2,mutagenic
+SC[C@H]([C@@H]1CC[C@H]([C@@H](C1)S)C)C,non-mutagenic
+CN(C[C@@H](Cl)C)C,mutagenic
+COc1cccc(c1)[N+](=O)[O-],non-mutagenic
+OCc1c(OC2OC(COC3OCC(C(C3O)O)O)C(C(C2O)O)O)cc2c(c1O)C(=O)c1c(C2=O)cccc1,mutagenic
+OC(=O)C(c1cccc(c1)C(=O)c1ccccc1)C,non-mutagenic
+CCOC(=O)C[C@@H](C(=O)OCC)S[P@](=O)(SC)OC,non-mutagenic
+C#C[C@](c1ccc(c(c1)C)C)(c1ccccc1)OC(=O)NC1CCCCC1,mutagenic
+COCC(COC(=O)c1ccccc1)(COC(=O)c1ccccc1)COC(=O)c1ccccc1,non-mutagenic
+ClCC(=O)Nc1c(CC)cccc1CC,mutagenic
+NN(C(=O)C)C(=O)C,non-mutagenic
+Nc1ccc2c(n1)n1ccccc1n2,mutagenic
+OCCc1ccc(cc1)Nc1ccc(c2c1C(=O)c1c(C2=O)c(O)ccc1[N+](=O)[O-])O,mutagenic
+OCCN(c1ccc2c(c1)cccc2)CCO,mutagenic
+O=C(c1ccccc1)c1ccccc1,non-mutagenic
+OCC(=O)C1(O)CCC2C1(C)CC(=O)C1C2CCC2=CC(=O)C=CC12C,mutagenic
+O=CN(c1ccc(cc1)Oc1ccc(cc1)Cl)O,mutagenic
+CC(=O)OO,non-mutagenic
+COCCOCCOC,non-mutagenic
+Nc1ccc2c(n1)[nH]c1c2cccc1,mutagenic
+OC(=O)CCCC[C@H]1SSCC1,non-mutagenic
+Cc1c(C)cccc1N=Nc1c(O)ccc2c1cccc2,non-mutagenic
+SCCc1cnccn1,non-mutagenic
+Nc1nc(nc(n1)N)c1ccc(o1)[N+](=O)[O-],mutagenic
+CNCC(=O)O,non-mutagenic
+N/N=c/1\sc2c(n1C)cccc2,mutagenic
+Oc1cccc2c1ccc1c2ccc2c1cccc2,mutagenic
+OC(=O)CCC(C1CCC2C1(C)CCC1C2C(=O)CC2C1(C)CCC(=O)C2)C,non-mutagenic
+OCC(COc1ccc(cc1)C(c1ccc(cc1)OCC(CO)O)(C)C)O,non-mutagenic
+O=C/C=C/c1ccccc1Cl,mutagenic
+CC(CCCC(C1CCC2C1(C)CCC1C2CC(C2(C1(C)CCC(C2)O)O)O)C)C,mutagenic
+NC1CCCC(C1)N,non-mutagenic
+c1ccc2c(c1)c1ccc3c4c1c1c2cccc1cc4C=C3,mutagenic
+CCCC(=O)C1c2cccc(c2C(=O)c2c1cccc2O)O,mutagenic
+CC(=C)[C@@H]1CC=C([C@H](C1)O)C,non-mutagenic
+C=CCOC(=O)CC(C)C,non-mutagenic
+COC(=O)Nc1[nH]c2c(n1)cc(cc2)Sc1ccccc1,non-mutagenic
+BrCc1ccc(cc1)[N+](=O)[O-],mutagenic
+[O-][N+](=O)c1cc2c(C(C(=O)OCC)C#N)snc2cc1,mutagenic
+Fc1ccc(cc1)/C=C/C(=O)c1ccccc1,non-mutagenic
+OC(=O)CCc1c[nH]c2c1cccc2,non-mutagenic
+OCc1ccnc2c1cccc2,non-mutagenic
+O=CN(C(=O)N(C)C)C,mutagenic
+ONc1ncnc2c1ncn2C,mutagenic
+O=C1OC(=O)c2c1cccc2,non-mutagenic
+N#Cc1ccc(cc1)/C=C/c1ccc(cc1)[N+](=O)[O-],mutagenic
+OCc1ccc2c3c1-c1ccccc1-c3ccc2,non-mutagenic
+NC(=O)OCC1C(NC(=O)/C(=N\OCC(=O)O)/c2csc(n2)N)C(=O)N1S(=O)(=O)O,non-mutagenic
+[O-][N+](=O)c1ccc2c(c1)c1c([nH]2)c(C)cc(c1C)[N+](=O)[O-],mutagenic
+NC(C(=O)O)CSC(=O)NCCCl,mutagenic
+[O-][N+](=O)c1ccc2c(c1)cc1c(c2)cccc1,mutagenic
+CCCCOCCOCCSC#N,non-mutagenic
+c1ccc2c(c1)ccc1c2c2c([nH]1)ccc1c2cccc1,mutagenic
+CCCCN,non-mutagenic
+[O-][N+](=O)c1c(cc2c3c1-c1ccccc1-c3ccc2)[N+](=O)[O-],mutagenic
+O(Cc1ccccc1)CC1OC1,mutagenic
+Nc1scc(n1)c1cccnc1,non-mutagenic
+O=C(Cc1ccccc1)OCc1ccccc1,non-mutagenic
+O=NN(C(=O)Oc1ccc(c(c1C)C)C)C,mutagenic
+O=C(COC(=O)C)NCCCOc1cccc(c1)CN1CCCCC1,non-mutagenic
+[O-][N+](=O)c1ccc2c3c1cccc3C=C2,mutagenic
+ClCc1cccnc1,mutagenic
+N[C@@H]1C[C@H]1c1ccccc1,non-mutagenic
+Cc1cccc2c1ccc1c2cc2c(c1)cccc2,mutagenic
+ClCc1ccccc1,mutagenic
+FC(c1cccc(c1)CN1C2C1c1ccccc1-c1c2cccc1)(F)F,mutagenic
+O=CN(c1ccc(cc1)[N+](=O)[O-])O,mutagenic
+COC(=O)C(Cl)C,mutagenic
+CN(CC/C=C\1/c2ccccc2OCc2c1cccc2)C,non-mutagenic
+C[C@H](CCc1ccccc1)NC[C@H](c1ccc(c(c1)C(=O)N)O)O,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)CCc2c2c1c1ccccc1cc2,mutagenic
+COc1cc2-c3c4OCOc4cc4c3C(Cc2cc1OC)N(C)CC4,mutagenic
+C[N+]1=CC=C(CC1)c1ccccc1,mutagenic
+Oc1cccc2c1nccc2,mutagenic
+O=NN(C(=O)C)C,mutagenic
+c1cc2ccc3c4c2c(c1)ccc4c1c2c3cccc2C=C1,mutagenic
+Clc1ccc2c3c1ccc1c3c(cc2)ccc1,mutagenic
+CCC(COC(=O)c1ccccc1C(=O)O)CCC(=O)C,non-mutagenic
+CCN(C(=O)c1cccc(c1)C)CC,non-mutagenic
+Clc1cc2S/C(=C/3\Sc4c(C3=O)c(C)cc(c4)Cl)/C(=O)c2c(c1)C,non-mutagenic
+OC1C2OC2c2c(C1O)ccc1c2c(C)ccc1C,mutagenic
+Cc1ccc2c(c1)cc1c(c2)c2ccccc2cc1,mutagenic
+[O-][N+](=O)c1ccc(c(c1)Cl)Cl,mutagenic
+Nc1ccc(cc1)N(c1ccc2c(c1)cccc2)c1ccc2c(c1)cccc2,non-mutagenic
+OC1c2cc3ccc4c5c3c(c2C(C(C1O)S(=O)(=O)O)O)ccc5ccc4,non-mutagenic
+ClCCN(c1ccc2c(c1)cc(o2)[N+](=O)[O-])CCCl,mutagenic
+CCCCON(C(=O)c1ccccc1)OC(=O)C,mutagenic
+c1ccc2c(c1)ccc1c2nc2c(c1)ccc1c2cccc1,mutagenic
+OC1C(O)C(OC1n1cnc2c1ncnc2O)COP(=O)(O)O,non-mutagenic
+CC(OP(=O)(F)C)C,non-mutagenic
+[O-][N+](=O)CCl,mutagenic
+Cn1c(N)nc2c1cc1ccccc1n2,mutagenic
+CCCCCCc1ccc(cc1O)O,non-mutagenic
+CC(C(=O)O)N,non-mutagenic
+Cc1c2ccc3c(c2cc2c1cccc2)cccc3,mutagenic
+ClCc1ccc(cc1)Br,non-mutagenic
+BrCCBr,mutagenic
+ClC(=O)c1ccccc1,mutagenic
+CCCCOC(=O)c1ccc(cc1)N,non-mutagenic
+OC1C=Cc2c(C1O)c([N+](=O)[O-])c1c(c2)c2ccccc2cc1,mutagenic
+Clc1cc([N+](=O)[O-])c(cc1Cl)Cl,mutagenic
+ClC(C#N)Cl,mutagenic
+CC(=O)OC(C(=O)c1ccccc1)c1ccccc1,non-mutagenic
+OCC(C(c1ccc(cc1)[N+](=O)[O-])O)NC(=O)C(Cl)Cl,non-mutagenic
+Oc1cc(O)c2c(c1)[o+]c(c(c2)O)c1cc(O)c(c(c1)O)O,non-mutagenic
+ONc1nc2[nH]c3c(c2cc1C)cccc3,mutagenic
+O=C(c1cccc(c1)C(=O)OC[C@@H]1OC1)OC[C@@H]1OC1,mutagenic
+ClCCCC(=O)N(c1snc2c1cccc2)C,non-mutagenic
+OS(=O)(=O)Oc1cccc2c1cc1ccc3c4c1c2ccc4ccc3,non-mutagenic
+CC(OC(=O)C(Oc1ccc(cc1)C(=O)c1ccc(cc1)Cl)(C)C)C,non-mutagenic
+Clc1c(Cl)ccc(c1Cl)Cl,non-mutagenic
+Fc1ccc(cc1)n1cc(C(=O)O)c(=O)c2c1cc(N1CCNCC1)c(c2)F,non-mutagenic
+CCSCSP(=S)(OCC)OCC,non-mutagenic
+COC(CC(=O)C)(C)C,non-mutagenic
+N#C/C(=C\C(C(C(c1ccc(c(c1)Cl)Cl)C#N)c1ccccc1)C)/c1ccc(c(c1)Cl)Cl,mutagenic
+c1ccc(cc1)c1ccccc1c1ccccc1,non-mutagenic
+OC(=O)c1cccc(c1Cl)Cl,non-mutagenic
+N#CCc1ccc(cc1)Cl,non-mutagenic
+C[N+](=C1C=CC(=C(c2ccc(cc2)N(C)C)c2ccc(cc2)N(C)C)C=C1)C,non-mutagenic
+NN(Cc1ccccc1)Cc1ccccc1,non-mutagenic
+O=C(C(C)C)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)C(C)C,mutagenic
+O=C1Nc2c(C1=O)cc(cc2)[N+](=O)[O-],mutagenic
+Oc1nc2c(o1)cccc2,non-mutagenic
+O=C(C(=C)C)OCCOCCOC(=O)C(=C)C,non-mutagenic
+OC(=O)C(CSC(=C(Cl)Cl)Cl)N,mutagenic
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(c3c2CCCC3)c(cc1)[N+](=O)[O-],mutagenic
+NC(=S)Nc1cccc2c1cccc2,mutagenic
+OC[C@H]1O[C@@H](O[C@H]2CC[C@]3(C(=CC[C@@H]4[C@@H]3CC[C@]3([C@H]4C[C@@H]4[C@@H]3[C@H](C)[C@@H]3N4C[C@H](CC3)C)C)C2)C)[C@H]([C@H]([C@H]1O)O[C@@H]1O[C@@H](CO)[C@H]([C@H]([C@H]1O)O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O,non-mutagenic
+CN(Nc1scc(n1)c1ccc(o1)[N+](=O)[O-])C,mutagenic
+CCCCCCCCC=C,non-mutagenic
+Nc1ccc(cc1)Nc1c2ccccc2nc2c1cccc2,mutagenic
+OC(=O)c1ccc(cc1)Cl,non-mutagenic
+COc1ccc(cc1)CN(N=O)C,non-mutagenic
+CCc1nccc(c1)C(=S)N,non-mutagenic
+[O-][N+](=O)c1ccc(cc1)c1ccc(cc1)[N+](=O)[O-],mutagenic
+C=CC1(C)CCC2(C(C1)C(=O)CC1C32CCCC1(C(=O)O3)C)C,non-mutagenic
+Cl[C@H](C#N)Br,mutagenic
+ClC(C(=C(C(=O)O)Cl)C(Cl)Cl)Cl,mutagenic
+COc1ccc(cc1)c1c(onc1c1ccc(cc1)OC)CC(=O)O,non-mutagenic
+[O-][N+](=O)c1ccc2c3c1ccc1c3c([C@H]3[C@@H]2O3)ccc1,mutagenic
+OC[C@@H]1O[C@@H](O[C@H]([C@@H](C(=O)N[C@@H]([C@H]([C@@H](C(=O)N[C@H](C(=O)NCCc2scc(n2)c2scc(n2)C(=O)NCCCNCCCNC(=N)CC2CCC(CC2)Cl)[C@@H](O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)c2nc[nH]c2)[C@@H]([C@@H]([C@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@@H]1O)OC(=O)N)O,mutagenic
+Cc1c2[C@H]3N[C@H]3c3c(-c2cc2c1cccc2)cccc3,mutagenic
+OCCN1CC1,mutagenic
+Nc1ccc(c(c1)[N+](=O)[O-])N,mutagenic
+FC(Cl)(Cl)Cl,non-mutagenic
+Cc1cccc2c1cccn2,mutagenic
+OC/C=C(\C(=O)OC)/C=C(/C=C(/C=C/C=C(/C(=O)C12OC2C(NC1=O)(O)CCO)\C)\C)\C,mutagenic
+O1C[C@@H]1COc1ccccc1,mutagenic
+Oc1ccc2c(c1)c1c([nH]2)c(C)cc(c1C)[N+](=O)[O-],mutagenic
+CCN1CCOCC1,mutagenic
+COC1=CC(=O)c2c(C1=O)nc(c1c2nc2-c1c[nH]cc2)C,mutagenic
+O=C1NC(=O)c2c1cccc2,non-mutagenic
+OCNC(=O)c1ccc(cc1)Cl,non-mutagenic
+OC1C=Cc2c(C1O)ccc1c2c(C)cc2c1CCC2,mutagenic
+ClCCN([C@@H](COc1ccccc1)C)Cc1ccccc1,mutagenic
+COC(=O)C1=C(C(OC1=O)C)c1ccccc1,non-mutagenic
+ClCC(F)(F)F,non-mutagenic
+Nc1ccc(cc1)c1ccc(cc1)Cl,mutagenic
+CC(=O)OCc1c2ccccc2c2c3c1ccc1c3c(cc2)ccc1,mutagenic
+CN(C(=N)N(C)C)C,non-mutagenic
+[O-][N+](=O)c1ccc2c(c1)c(=O)[nH][nH]c2=O,mutagenic
+O=C1c2ccc3c(c2C(=O)c2c1c1sc(nc1cc2)c1ccccc1)sc(n3)c1ccccc1,non-mutagenic
+O=CC1=CC2CC(CC2C2(C1(C=O)C2)C)(C)C,mutagenic
+Oc1ccc2c(c1N=Nc1ccc(cc1)N=Nc1ccccc1)cccc2,mutagenic
+OCC1OC(CC1O)n1ccc(=O)[nH]c1=O,non-mutagenic
+OCCc1cc(N)cc(c1N)[N+](=O)[O-],mutagenic
+NC(=O)c1ccccc1C,non-mutagenic
+OC(=O)c1c[n+]([O-])c2c([n+]1[O-])cccc2,mutagenic
+COC(=O)C1=C(C)C(OC1=O)C(C)C,mutagenic
+CC(=O)CC(O)(C)C,non-mutagenic
+OC(=O)c1cc(ccc1N)S(=O)(=O)O,non-mutagenic
+Cc1c2ccccc2c(c2-c3c4c(-c12)cccc4ccc3)C,mutagenic
+O[C@@H]1CC[C@@H](O)[C@H](O)C[C@H](O)C[C@]2(O)C[C@H](O)[C@@H]([C@H](O2)C[C@H](/C=C/C=C/C=C/C=C/C=C/C=C/C=C/[C@@H]([C@H]([C@H]([C@@H](OC(=O)C[C@@H](C1)O)C)C)O)C)O[C@H]1O[C@H](C)[C@@H]([C@@H]([C@@H]1O)N)O)C(=O)O,non-mutagenic
+[O-][N+](=O)c1ccc(cc1)Sc1ccccc1,mutagenic
+[O-][N+](=O)c1cc(N)c(c(c1)[N+](=O)[O-])C,mutagenic
+ClCC(C(=C)Cl)Cl,mutagenic
+CCOC(=O)N(N=O)CC,mutagenic
+Cc1cc2cccnc2c(c1)C(=O)O,non-mutagenic
+CCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCC,non-mutagenic
+OCCN(CCO)CCO,non-mutagenic
+Oc1ccc(c(c1)C)O[P@](=O)(Oc1c(C)cccc1O)Oc1cc(O)ccc1C,non-mutagenic
+NC(=O)CBr,non-mutagenic
+CC(=O)N(c1ccc(cc1)Sc1ccccc1)O,mutagenic
+ClN1C(=O)N(C(C1=O)(C)C)Cl,non-mutagenic
+OC[C@H]1CC[C@H](O1)n1cnc2c1ncnc2O,mutagenic
+N#CCCC(=O)/C=C/c1ccc(cc1)C(=O)O,non-mutagenic
+O=C1CCc2c1ccc1c2c(C)cc2c1cccc2,mutagenic
+Clc1cccc(c1)C(=O)Cl,mutagenic
+OC(=O)c1cn2C(C)COc3c2c(c1=O)cc(c3C1(N)CC1)F,non-mutagenic
+CC(OC(=O)C(=C)C)C,non-mutagenic
+Oc1ccc(c(c1)O)C(=O)O,non-mutagenic
+Nc1ccc(cc1)F,mutagenic
+CCOCCOC(=O)C,mutagenic
+O=C(C(Br)(C)C)Nc1ccccc1,non-mutagenic
+Nn1c2ccncc2c2c1cccc2,mutagenic
+O1CCC2(CC1)CO2,mutagenic
+Nc1scc(n1)c1ccccc1,mutagenic
+CC(C(CCl)Br)Br,mutagenic
+C=CCOc1ccccc1OCC(CNC(C)C)O,non-mutagenic
+Oc1ccc(cc1)c1coc2c(c1=O)ccc(c2)O,non-mutagenic
+ClC(C(Cl)Cl)Cl,non-mutagenic
+CCCOc1ccc(cc1N)N,mutagenic
+[O-][N+](=O)c1ccccc1C,non-mutagenic
+Nc1ccc(cc1)Cl,mutagenic
+COc1ccc(cc1)CN(c1ccccn1)CCN(C)C,non-mutagenic
+OC1C=Cc2c(C1O)cc1c(c2)c(C)cc2c1cccc2,mutagenic
+CC(=O)NO,mutagenic
+CSCCC(C(=O)O)NC(=O)COc1cc(Cl)c(cc1Cl)Cl,non-mutagenic
+c1cc2ccc3c4c2c(c1)cc1c4c(C=C1)cc3,mutagenic
+COc1c2ccc(cc2nc2c1cco2)O,non-mutagenic
+Clc1cccc(c1)/C=C/c1ccc(cc1)[N+](=O)[O-],mutagenic
+CSCCl,mutagenic
+O=C(c1cccc2c1oc(c1ccccc1)c(c2=O)C)OCCN1CCCCC1,non-mutagenic
+Nc1ccc(cc1Cl)NOS(=O)(=O)O,mutagenic
+ONc1ccc(c(c1)C)C,mutagenic
+Cc1cc(C)c2c(c1)c1ccccc1cc2,mutagenic
+ONC(=O)Cc1cn(cn1)N=O,mutagenic
+N#C/C(=C(/C#N)\N)/N,non-mutagenic
+O[C@@H]([C@@H](COS(=O)(=O)C)O)COS(=O)(=O)C,mutagenic
+OC(=O)/C=C/c1c[nH]cn1,non-mutagenic
+OCC1OC(CC1O)n1cc(Br)c(=O)[nH]c1=O,non-mutagenic
+Nc1cc([N+](=O)[O-])c(cc1F)N,mutagenic
+CC(=O)Nc1ccc(cc1)C(=O)[C@@H]1O[C@H]1c1ccccc1,mutagenic
+C1CC[C@@H]2[C@@H](C1)CCCC2,non-mutagenic
+Cc1ccc2c(c1)ccc1c2ccc2c1cccc2,mutagenic
+Clc1ccc(cc1)Cn1c2ccc(cc2c(c1C)/C=N/OCc1ccc(cc1Cl)Cl)[N+](=O)[O-],non-mutagenic
+N#CCCN(c1cc(NC(=O)C)c(cc1OC)n1nc2c(n1)c(Br)cc(c2Cl)N)CC,mutagenic
+COP(=O)(Oc1c(Cl)cc(cc1Cl)C)OC,non-mutagenic
+Clc1cc(N)c(c(c1)Cl)O,non-mutagenic
+O[C@@H]1C=Cc2c([C@H]1O)ccc1c2ccc2c1cc(cc2)O,mutagenic
+[O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1C)[N+](=O)[O-])N,mutagenic
+O=NN(CC1(O)CCC(C(C1O)O)O)CC(=O)O,non-mutagenic
+Clc1nncc2c1ccnc2,non-mutagenic
+COC(=O)c1oc(c(c1c1ccccc1)c1ccccc1)[N+](=O)[O-],mutagenic
+Nc1cccc2c1cc1ccccc1c2,mutagenic
+CSCC(C(=O)O)N,non-mutagenic
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)ccc1,mutagenic
+CC(=O)[C@H](O)C,non-mutagenic
+CC1CCC2(OC1)OC1C(C2C)C2(C(C1)C1CC=C3C(C1CC2)(C)CCC(C3)O)C,non-mutagenic
+OC(=O)c1cccc(c1)C(=O)O,non-mutagenic
+CC(C1c2cc(C(=O)C)c(cc2C(C1C)(C)C)C)C,non-mutagenic
+c1ccc(cc1)Nc1ccc(cc1)Nc1ccccc1,mutagenic
+COc1c2cc3OCOc3cc2nc2c1cco2,mutagenic
+c1ccc2c(c1)cc1c3c2C=Cc3ccc1,mutagenic
+CCCCC(=O)n1ncc(c(c1=O)Cl)Cl,non-mutagenic
+[O-][N+](=O)/C=C/c1ccc(o1)[N+](=O)[O-],mutagenic
+CCCCC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)CCCC,mutagenic
+COc1cc(N)c(cc1N)C,non-mutagenic
+OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc(n1)C(=O)N,non-mutagenic
+CC(=O)Nc1cccc(c1)C,non-mutagenic
+COc1nncc2c1ccnc2,non-mutagenic
+Nc1ncnc2c1ncn2C,mutagenic
+CN(c1ccc2c(c1C)nc(c(n2)C)C)C,mutagenic
+[O-][N+](=O)c1cc2c3ccccc3sc2c2c1cccc2,mutagenic
+CCCc1cc2ccccc2c2c1c1C3OC3C(C(c1cc2)O)O,non-mutagenic
+OCCc1ccccc1[N+](=O)[O-],mutagenic
+Cc1ccc(cc1)/C(=C\CN1CCCC1)/c1ccccn1,non-mutagenic
+O=C(C(C)C)Nc1snc2c1ccc(c2)Cl,non-mutagenic
+C[C@H]1CN1,mutagenic
+Oc1ccnc2c1cccc2,non-mutagenic
+[O-][N+](=O)c1ccc2c3c1cccc3c1c3c2c(ccc3ccc1)[N+](=O)[O-],mutagenic
+O=C(N[C@H](C(=O)NCC(=O)O)CS/C(=C(\C(=C(Cl)Cl)Cl)/Cl)/Cl)CC[C@@H](C(=O)O)N,mutagenic
+CC(=O)Nc1ccc(cc1)S(=O)(=O)N,non-mutagenic
+CC(=O)Nc1snc2c1cc(Cl)cc2Cl,non-mutagenic
+Oc1cccc2c1c1c(cc2)[nH]c2c1c1ccccc1cc2,non-mutagenic
+CC(CCC[C@H]([C@@H]1CC[C@H]2[C@@]1(C)CCC/C/2=C/C=C\1/C[C@@H](O)CCC1=C)C)C,non-mutagenic
+CCOCCOCC,mutagenic
+O=C(/C=C/c1ccc(o1)[N+](=O)[O-])N/N=C/c1ccc(o1)[N+](=O)[O-],mutagenic
+CCCCCC(/C=C/C=O)O,non-mutagenic
+OCCN(c1ccc(c(c1)[N+](=O)[O-])NC)CCO,mutagenic
+CCOc1ccc(cc1)NO,mutagenic
+CCN(CC#CC(OC(=O)C(c1ccccc1)(C1CCCCC1)O)(C)C)CC,non-mutagenic
+O=C1C[C@H]2C([C@]1(C)CC2)(C)C,non-mutagenic
+O=C([C@H]1CCCC[C@@H]1C(=O)OC[C@@H]1OC1)OC[C@@H]1OC1,mutagenic
+O=C1C(=O)c2c3c1cccc3ccc2,mutagenic
+CC(C(C(=O)OCC1CCN2C1CCC2)(C(O)C)O)C,non-mutagenic
+c1ccc2c(c1)nc1c(c2)cccc1,mutagenic
+OC1c2ccccc2-c2c(C1O)c1ccccc1cc2,non-mutagenic
+ClCCC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)CCCl,mutagenic
+Nc1ncnc2c1ncn2C(c1ccccc1)(c1ccccc1)c1ccccc1,mutagenic
+Nc1ccc2-c3c(Cc2c1)cc(cc3)[N+](=O)[O-],mutagenic
+OCNc1ncnc2c1ncn2C1OC(C(C1O)O)CO,mutagenic
+CNC[C@H](c1cccc(c1)O)O,non-mutagenic
+NC(C(=O)O)CSC(C(Cl)Cl)(F)F,non-mutagenic
+Clc1c(Cl)c([N+](=O)[O-])c(c(c1Cl)Cl)Cl,non-mutagenic
+COc1ccc2c(c1)nc([nH]2)N,non-mutagenic
+CCC1c2ccc(cc2C(=C1c1ccc(cc1)O)C)O,non-mutagenic
+[O-][N+](=O)c1ccc(cc1)c1ccccc1,mutagenic
+OC[C@H]1O[C@@H](Oc2cc(OC)cc3c2c(=O)c2c(o3)c(O)ccc2O)[C@@H]([C@H]([C@@H]1O)O)O,mutagenic
+OC1C2=C(C)C3(C(C(=O)C2=CC1(C)C)(C)O)CC3,mutagenic
+NC(C(=O)O)CCS/C(=C/Cl)/Cl,mutagenic
+CCOC(=O)C[n+]1csc2c1cccc2,non-mutagenic
+[O-][n+]1c2ccc3c(c2cc2c1ccc1c2cccc1)cccc3,non-mutagenic
+CCOC(=O)OCC,non-mutagenic
+NCCc1c[nH]c2c1cc(O)cc2,non-mutagenic
+OC[C@@H](c1ccccc1)C(=O)O[C@@H]1C[C@@H]2N([C@H](C1)[C@H]1[C@@H]2O1)C,non-mutagenic
+O=C(C(Cc1c[nH]cn1)NC(=O)C(CS(=O)(=O)C(C)(C)C)Cc1ccccc1)NC(C(C(C1CC1)O)O)CC1CCCCC1,non-mutagenic
+O=NN1CCCN(CC1)N=O,mutagenic
+[O-][N+](=O)c1cccc2-c3c4c(-c12)ccc1c4c2c(c3)cccc2cc1,mutagenic
+CN(c1ccc(cc1)/C=C/c1ccc(cc1)[N+](=O)[O-])C,mutagenic
+OC(=O)C(=O)Nc1cccc(c1)c1n[nH]nn1,non-mutagenic
+Oc1cc2OC3C(c2c2c1c(=O)c1c(o2)cccc1O)CCO3,non-mutagenic
+COc1ccccc1NC(=O)c1csc(c1)[N+](=O)[O-],mutagenic
+c1ccc2c(c1)ccc1c2cc2cccc3c2c1C=C3,mutagenic
+OC(=O)c1ccc(o1)[N+](=O)[O-],mutagenic
+O1C[C@@H]1c1ccccc1,mutagenic
+CN(CCCNc1c2ccccc2nc2c1cccc2)C,mutagenic
+CC1OC(C)CN(C1)N=O,mutagenic
+[O-][N+](=O)c1cc(cc(c1c1ccccc1)[N+](=O)[O-])[N+](=O)[O-],mutagenic
+[O-][n+]1cccc2c1cccc2,non-mutagenic
+c1ccc2c(c1)cc1c3c2C=Cc3c2c(c1)cccc2,mutagenic
+FC(C(Cl)(F)F)(Cl)F,non-mutagenic
+O=c1ccc2c(o1)cc1c(c2)CC(O1)C(O)(C)C,mutagenic
+[O-][N+](=O)c1ccc2c(c1)csn2,mutagenic
+CCCCCCCCCCCC(=O)N(CCO)CCO,non-mutagenic
+Fc1cc2cccnc2c(c1)F,mutagenic
+Brc1ccc2c(c1)[nH]c(c2)C(=N)N,non-mutagenic
+CCNc1cccc(c1)O,mutagenic
+C[C@@H]1CCc2c1cc(C)c1c2ccc2c1cccc2,mutagenic
+COc1cccc2c1OC1(C2(C)OO1)C,mutagenic
+CN(CCCNc1c2ccccc2nc2c1cccc2[N+](=O)[O-])C,mutagenic
+COC(=O)[C@@]12O[C@@]2(CC)[C@@](NC1=O)(C)O,mutagenic
+ONc1nc2c(n1C)ccc1c2cccn1,mutagenic
+Oc1ccc2c(n1)cccc2,non-mutagenic
+Nc1ccc2c(c1)CN1C(=N2)c2c(C1=O)cccc2,mutagenic
+Cc1ccc(c(c1)O)N,mutagenic
+Nc1[nH]cnc2-c1ncn2,mutagenic
+Cc1ccc(c(c1)N)N,mutagenic
+c1ccc2-c3cc4ccc5c(c4cc3[C@@H]3[C@H](c2c1)O3)cccc5,mutagenic
+C=CC(=O)OCCCCOC(=O)C=C,non-mutagenic
+O=C1C(=CC(C=C1C(C)(C)C)(C)OOC(C)(C)C)C(C)(C)C,non-mutagenic
+C=C[C@H](c1ccc2c(c1)OCO2)O,non-mutagenic
+ClCCN(CCCNc1c2ccccc2nc2c1ccc1c2nccc1)CC,mutagenic
+CC(=O)ON(c1ccccc1C)C(=O)C,non-mutagenic
+OCP(CO)(CO)CO,non-mutagenic
+OCC1OC(OC2CCC3(C(=CCC4C3CCC3(C4CC4C3C(C)C3N4CC(CC3)C)C)C2)C)C(C(C1OC1OC(C)C(C(C1O)O)O)O)OC1OC(C)C(C(C1O)O)O,non-mutagenic
+COc1cc2CCN([C@H]3c2cc1Oc1c2c(CCN([C@H]2Cc2ccc(Oc4cc(C3)ccc4OC)cc2)C)cc2c1OCO2)C,mutagenic
+NC(=O)NCC(=O)O,non-mutagenic
+CNCCO,non-mutagenic
+CCN(S(=O)(=O)c1ccc(cc1)N)CC,non-mutagenic
+OCc1ccc2c3c1Sc1cc(Cl)ccc1-c3nn2CC[N+](CC)(CC)[O-],mutagenic
+C/C=C\c1ccc(c(c1)OC)O,non-mutagenic
+CCN(CC)N,non-mutagenic
+OC1C(O)C(Oc2ccc3c(c2)c2ccc4c5c2c(c3)ccc5ccc4)OC(C1O)C(=O)O,non-mutagenic
+O=S1(=O)CCCCO1,mutagenic
+ON1c2ccccc2/C(=N\c2ccccc2)/C1(C)c1ccccc1,non-mutagenic
+OCC(N[C@@H]1C[C@](O)(CO)[C@@H]([C@H]([C@@H]1O)O)O)CO,non-mutagenic
+c1ccc2c(c1)sc(n2)SSc1nc2c(s1)cccc2,mutagenic
+C[C@@H]1O[C@@H](C)O[C@H](C1)OC(=O)C,mutagenic
+ClC(=C1C=CC(=O)O1)Cl,mutagenic
+CC(NCC(c1ccc(c(c1)O)O)O)C,non-mutagenic
+[O-][N+](=O)c1ccc(c(c1Cl)Cl)Cl,mutagenic
+ClC(=Cc1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl)Cl,non-mutagenic
+CCSCC[C@@H](C(=O)O)N,non-mutagenic
+c1cc2ccc3c4c2c(c1)ccc4cc1c3CC[C@@H]2[C@H]1O2,mutagenic
+COC1OC(=O)C(=C1C(Cl)Cl)Cl,mutagenic
+ClC1CCN(CC1)N=O,mutagenic
+[O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])C,mutagenic
+ONc1[nH]cnc2-c1ncn2,mutagenic
+CCOC(=O)c1ccccc1C(=O)OCC,non-mutagenic
+CN(CCCNc1c2ccccc2nc2c1c(ccc2Cl)[N+](=O)[O-])C,mutagenic
+c1ccc2c(c1)cc1c3c2cnc2c3c(cc1)ccc2,mutagenic
+Nc1nc(N)nc(n1)Cl,non-mutagenic
+Nc1cccc2c1cccc2,mutagenic
+[O-][N+](=O)c1ccc2-c3c(Cc2c1)cccc3[N+](=O)[O-],mutagenic
+ClC(=O)OCc1ccccc1,non-mutagenic
+COC1=C(OC)C(=O)C(=CC1=O)C,non-mutagenic
+Brc1ccc2c(c1)c(N)c1c(n2)cccc1,mutagenic
+C#CC1(O)CCC2C1(C)CCC1C2CCc2c1ccc(c2)OC,non-mutagenic
+[O-][N+](=O)c1cc2cccc3-c4c(-c(c1)c23)cccc4,mutagenic
+[O-][N+](=O)C1CCCC1,mutagenic
+CC(c1ccc2c(c1)ccc1c2cccc1C)C,non-mutagenic
+CNC(=O)ON(C(=O)NC)C(=O)C,mutagenic
+O[C@H]1CC[C@]2([C@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@H](CCC(=O)O)C)C)C,non-mutagenic
+ClCCN(c1cnc(nc1O)O)CCCl,mutagenic
+CCCCCCCCCCCCCO,non-mutagenic
+NNc1nncc2c1cncc2,mutagenic
+CC(COC(=O)Cc1ccccc1)C,non-mutagenic
+CCCCCCCCCCCl,non-mutagenic
+[O-][N+](=O)c1ccc2c(c1)[nH]c1c2cccc1,mutagenic
+CC(c1cc(ccc1OP1OCC2(CO1)COP(OC2)Oc1ccc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C)(C)C,non-mutagenic
+O=C1CCC(=O)N1c1ccc(c(c1)Cl)Cl,non-mutagenic
+CC(=O)Cl,non-mutagenic
+Clc1ncccc1Cl,mutagenic
+OCCNc1ccc(cc1[N+](=O)[O-])N(CCO)CCO,mutagenic
+Cc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1)O,mutagenic
+COc1ccc2c(c1)nc1c(c2OC)cco1,mutagenic
+COP(=O)(SC)SC,non-mutagenic
+COCCOCCO,non-mutagenic
+Nc1cc2ccccc2cc1N,mutagenic
+Oc1ccc2-c3ccc(c4c3C(C3c2c1C(=O)C1OC31)(O)CCC4=O)O,mutagenic
+CCOP(=O)(N(C)C)C#N,non-mutagenic
+ONc1ccc(cc1)c1ccc(cc1)C(C)(C)C,mutagenic
+O=P(Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1,non-mutagenic
+OC[C@H]1CO1,mutagenic
+[O-][N+](=O)c1ccccc1C(=O)N,mutagenic
+OC(CN=N#N)CN=N#N,mutagenic
+COCCN(c1cc(NC(=O)C)c(cc1OC)n1nc2c(n1)c(Br)cc(c2Cl)N)CCOC,mutagenic
+[O-][N+](=O)c1ccc2c(c1)c1cc(ccc1c(c2)[N+](=O)[O-])[N+](=O)[O-],mutagenic
+ClCc1ccc(cc1)C(F)(F)F,non-mutagenic
+Clc1cc(Cl)c(c(c1O)Cc1c(O)c(Cl)cc(c1Cl)Cl)Cl,non-mutagenic
+OC1C=Cc2c(C1O)ccc1c2cccc1,mutagenic
+Clc1c2ccc3c(c2cc2c1cccc2)cccc3,mutagenic
+COc1cccc(c1)/C=C/c1ccc(cc1)[N+](=O)[O-],mutagenic
+N#C/C(=C/C(C(C(c1ccc(cc1)Br)C#N)c1ccccc1)C)/c1ccc(cc1)Br,non-mutagenic
+[O-][N+](=O)c1nc2c(n1C)cccc2,mutagenic
+BrC[C@H]1CO1,mutagenic
+ClCCCC(=O)N(c1snc2c1cccc2)CC,non-mutagenic
+CSCNc1ccccc1,mutagenic
+[O-][N+](=O)c1cc2cccc3c2c2c1cccc2c1c3cccc1,mutagenic
+ClCCOC(=O)Cl,non-mutagenic
+O=C(C(C)C)Nc1snc2c1cccc2,non-mutagenic
+CC(=O)OCc1ccccc1[N+](=O)[O-],non-mutagenic
+CN(N=Nc1ccccc1)C,mutagenic
+CC(=O)Nc1nnc(s1)c1ccc(o1)[N+](=O)[O-],mutagenic
+O=C(C1OC1c1ccc(cc1)c1ccccc1)c1ccccc1,non-mutagenic
+Oc1ccc(c(c1)O)N=Nc1ccc(cc1)[N+](=O)[O-],non-mutagenic
+CCCCCCCCCCCCCC(=O)[N-][N+](CC(O)C)(C)C,non-mutagenic
+[O-][N+](=O)c1ccc2c3c1c1ccccc1c1c3c(cc2)ccc1O,mutagenic
+OC(=O)C(Cc1ccc(cc1)O)N,non-mutagenic
+BrCCSCC(C(=O)OC)NC(=O)C,mutagenic
+BrCC(=O)c1ccc(cc1)c1ccccc1,mutagenic
+O=C(Nc1ccc(cc1)O)CC(=O)C,non-mutagenic
+O=C1c2ccccc2-c2c1c1c(cc2)ccc2c1cccc2,non-mutagenic
+OCC[C@]1(O)NC(=O)[C@]2([C@@H]1O2)C(=O)/C(=C/C=C/C(=C/C(=C/C(=C\C)/C(=O)OC)/C)/C)/C,mutagenic
+CC(=O)N1CNC(=O)N(C1=O)C(=O)C,non-mutagenic
+CC1CCCC(N1CCCC(c1ccccn1)(c1ccccc1)O)C,non-mutagenic
+OCCN(c1ccc(cc1)N=Nc1ccc(cc1C#N)[N+](=O)[O-])CCO,mutagenic
+O=C1CN=C(c2c(N1)ccc(c2)Cl)c1ccccc1,non-mutagenic
+CCCCCCCCCCCCCC=C,non-mutagenic
+[O-][N+](=O)c1cccc2c1c(C)ccc2,mutagenic
+NC(=S)NNC(=S)N,non-mutagenic
+ONc1ccc(cc1)N=Nc1ccccc1,mutagenic
+O=C(OC[C@H]1CO1)CCCCCC(C)(C)C,mutagenic
+Nc1nc(O)c2c(n1)nn[nH]2,non-mutagenic
+CCCCOc1ccc(cn1)N=Nc1ccc(cc1)N(CC)CC,mutagenic
+CCCC(=O)Nc1snc2c1ccc(c2)Cl,non-mutagenic
+[O-][N+](=O)c1cccc(c1)S(=O)(=O)OC[C@H]1CO1,mutagenic
+O=C(Nc1ccc(cc1)[N+](=O)[O-])CCC(C(=O)O)N,non-mutagenic
+Oc1cc(cc2c1C(=O)c1c(C2=O)cccc1O)C(=O)O,mutagenic
+CCCCCC,non-mutagenic
+[O-][N+](=O)c1cccc2c1nc1c(n2)cccc1[N+](=O)[O-],mutagenic
+ClCc1ccc2-c3c4c(-c2c1)cccc4ccc3,mutagenic
+OCC(Cl)Cl,mutagenic
+CCc1c2C3NC3c3c(-c2cc2c1cccc2)cccc3,mutagenic
+CN(c1ccc2c(c1)[s+]c1c(n2)cc(c(c1)N)C)C,mutagenic
+CC(=O)Nc1nc2c(n1C)ccc1c2cccn1,mutagenic
+CC1=CC(=O)CC(C1)(C)C,non-mutagenic
+OC(=O)CC[C@@H](C(=O)O)N,non-mutagenic
+ClCCN(P1(=O)OCCCN1CCCl)CCCl,mutagenic
+O=Cc1ccc2-c1cocc2COC(=O)C,mutagenic
+ClCC(C(Br)(C)C)Br,non-mutagenic
+Cc1ccccc1c1nc2c(o1)cccc2,non-mutagenic
+COc1ccc2c3c1O[C@H]1[C@@]43CCN([C@H](C2)[C@@H]4C=C[C@@H]1O)C,non-mutagenic
+O=NN(Cc1ccccc1)C,mutagenic
+[O-][N+](=O)c1ccc2c3c1[C@@H]1O[C@@H]1c1c3c(cc2)ccc1,mutagenic
+Fc1cc(cc(c1N)F)c1cc(F)c(c(c1)F)N,mutagenic
+Cc1cc(C)cc(c1)N=Nc1c(O)ccc2c1cccc2,non-mutagenic
+O=C(Nc1c(C)cccc1C)CN1CCCC1=O,non-mutagenic
+C=C[C@@](CCC=C(C)C)(O)C,non-mutagenic
+CC(=O)Nc1ccc(cc1Cl)Cc1ccc(c(c1)Cl)N,mutagenic
+COc1c2cc(OC)ccc2nc2c1cco2,mutagenic
+CSCCC(C(=O)NC(C(=O)O)Cc1ccccc1)NC=O,non-mutagenic
+c1ccc2c(c1)c1cc3ccc4c(c3cc1cc2)cccc4,mutagenic
+CC(=O)OCc1ccc2c3c1ccc1c3c(cc2)ccc1,mutagenic
+c1ccc2c(n1)c1CCC3C(c1cc2)O3,non-mutagenic
+[C-]#N,non-mutagenic
+COc1c([N+](=O)[O-])c(C)c(cc1C(C)(C)C)[N+](=O)[O-],non-mutagenic
+Nc1ccc(c(c1)N)N=Nc1ccc2c(c1)c(O)c(c(c2)S(=O)(=O)O)N=Nc1ccc(cc1)Nc1ccc(cc1S(=O)(=O)O)N=Nc1c(O)c2cc(N=Nc3ccc(cc3N)N)ccc2cc1S(=O)(=O)O,mutagenic
+[O-][N+](=O)c1c(Cl)c(Cl)c2c(c1Cl)Oc1c(O2)c(Cl)c(cc1)Cl,mutagenic
+Brc1ccc(c(c1)Br)Oc1cc(Br)c(cc1Br)Br,non-mutagenic
+CCc1ccccc1[N+](=O)[O-],non-mutagenic
+ClC(c1ccccc1)C(=O)Cl,mutagenic
+OC(=O)Cc1ccc(cc1)N,mutagenic
+CCCSC(=O)Cl,mutagenic
+[O-][N+](=O)NC(=N)NC,mutagenic non-mutagenic
+Oc1ccc2c(c1N=Nc1ccccc1)ccc(c2)S(=O)(=O)O,non-mutagenic
+COC(C1=C(N2CC2)C(=O)C(=C(C1=O)N1CC1)C)COC(=O)N,mutagenic
+COCC12OOC2(C)c2c(O1)cccc2,mutagenic
+Brc1ccc(cc1)CN1C2C1c1ccccc1-c1c2cccc1,mutagenic
+O1COCOC1,non-mutagenic
+OCCOc1cc(O)c2c(c1)oc(c(c2=O)OC1OC(COC2OC(C)C(C(C2O)O)O)C(C(C1O)O)O)c1ccc(c(c1)OCCO)OCCO,non-mutagenic
+Cc1ccc2c(c1)c(C)c1c(c2C)cccc1,mutagenic
+[O-][N+](=O)c1cc2c(N)snc2cc1,mutagenic
+C/C=C/C1=CC(=O)C23C(C1=O)(O)OC(C3C2)(C)C,mutagenic
+Cl[C@@H](C(F)(F)F)Br,non-mutagenic
+NCCNCCNCCN,mutagenic
+CN(c1ccc(cc1)N=Nc1ccccc1)C,mutagenic
+CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2,non-mutagenic
+C=CCCCC[C@@H]1OC1,mutagenic
+NCCCN,non-mutagenic
+C1CC=C2C(C1)CCc1c2cccc1,mutagenic
+Cc1cc(C)c(cc1[N+](=O)[O-])[N+](=O)[O-],mutagenic
+ClCc1ccccc1CCl,non-mutagenic
+Cn1cnc(c1c1ccccc1)[N+](=O)[O-],non-mutagenic
+Cc1cc2-c3ccccc3Cc2cc1C,non-mutagenic
+O=Nc1ccc2-c3c(Cc2c1)cccc3,mutagenic
+Cc1ccc2c(c1Nc1ccccc1)C(=O)c1c(C2=O)cccc1,mutagenic
+Nc1ccc(cc1)Oc1ccc(cc1)N,mutagenic
+OC1CCC2(C(C1)CC(C1C2CC(O)C2(C1CCC2C(CCC(=O)O)C)C)O)C,mutagenic
+Cc1ccc(cc1)[C@H]1OC1,mutagenic
+N=C1CCC(=N)c2c1c(O)c1c(c2O)cccc1,mutagenic
+c1cc[n+]2c(-c3cccc[n+]3CC2)c1,non-mutagenic
+OC(=O)c1cccnc1,non-mutagenic
+Cl/C=C(/CSC(=O)N(C(C)C)C(C)C)\Cl,mutagenic
+OC1C(O)c2cccc3c2c2c1cc1ccccc1c2cc3,mutagenic
+NC(C(=O)O)CS/C=C/Cl,mutagenic
+Oc1cc2cc3ccccc3c3c2c2c1cccc2cc3,mutagenic
+O=c1[nH][nH]c(=O)c2c1cccc2,non-mutagenic
+[O-][N+](=O)c1ccc2c(c1)ccc1c2cccc1,mutagenic
+CC1=C[C@@H]2[C@H](N(C1)C)Cc1c3c2cccc3[nH]c1,mutagenic
+Oc1ccc2-c3c4c(-c2c1)cc1cccc2c1c4c(cc3)cc2,mutagenic
+C=CCN(c1cc(NC(=O)C)c(cc1OC)N=Nc1c(Br)cc(cc1[N+](=O)[O-])[N+](=O)[O-])CC=C,mutagenic
+c1ccc2c(c1)Sc1c(N2)cccc1,non-mutagenic
+c1ccc2-c3c4c(-c2c1)ccc1c4c(cc3)C=C1,mutagenic
+CCN(c1ccc(cc1)c1ccc(cc1)c1ccc(cc1)N(CC)CC)CC,mutagenic
+c1ccc2c(c1)ccc1c2cc2c(n1)ccc1c2cccc1,mutagenic
+Brc1ccc(cc1)[N+](=O)[O-],mutagenic
+ClCCCl,mutagenic
+ClCCNCCCNc1c2cc(OC)ccc2nc2c1ccc(c2)Cl,mutagenic
+CCN(CCn1nc2c3c1Sc1cc(Cl)ccc1-c3c(cc2)C)CC,mutagenic
+COc1cc2c(cc1OC)nc1c(c2O)cccc1,mutagenic
+O=C/C(=C(/C(=O)O)\Cl)/C,mutagenic
+OCCN1CCNCC1,non-mutagenic
+Cc1cc2ccccc2c2c1cc1ccccc1c2,mutagenic
+O=CC1C=COC=C1,non-mutagenic
+CN(C=O)N,non-mutagenic
+NC(=O)c1ccc(cc1)[N+](=O)[O-],mutagenic
+CCCC(=O)O,non-mutagenic
+OC/C=C(\C=C/C=C(\C=C/C1=C(C)CCCC1(C)C)/C)/C,mutagenic
+Oc1ccc2c(c1N=Nc1ccc(c3c1cccc3)S(=O)(=O)O)c(cc(c2)S(=O)(=O)O)S(=O)(=O)O,non-mutagenic
+Nc1ccc2c(c1)c1ccccc1n2C,mutagenic
+NC(=O)N=NC(=O)N,mutagenic
+CC([N+](=O)[O-])(Cl)Cl,mutagenic
+O=C1OCC1(C)C,mutagenic
+OC(=O)CC[C@@H](C(=O)O)NC(=O)c1ccc(cc1)NCc1cnc2c(n1)c(O)nc(n2)N,non-mutagenic
+[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])N,mutagenic
+NCCNCCNCCNCCN,mutagenic
+Oc1ncc2c3c1ccc1c3c(cc2)ccc1,non-mutagenic
+COc1ccc(cc1)/C=C/c1ccc(cc1)[N+](=O)[O-],mutagenic
+CN(CCNC(=O)c1cccn2c1nc(c2)c1ccccc1)C,mutagenic
+ClCCN(c1ccc(cc1)OCC(=O)O[C@H]1CC[C@]2([C@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CCC(=O)N2)C)C)CCCl,mutagenic
+O=C1NS(=O)(=O)c2c1cccc2,non-mutagenic
+C[C@H]1CCOS(=O)(=O)O1,mutagenic
+Clc1ccc(cc1)NC(=O)c1csc(c1)[N+](=O)[O-],mutagenic
+CCCC[C@H](COC(=O)CCCCC(=O)OC[C@@H](CCCC)CC)CC,non-mutagenic
+CC(=O)OC12CCC3[C@@](C1)(CC2=C)CCC1[C@@]3(C)CCC[C@@]1(C)C(=O)O,non-mutagenic
+CN(c1ccc(cc1)N=Nc1ccc2c(c1)cccc2)C,mutagenic
+COO,mutagenic
+N[C@H](C(=O)O)CSCc1ccccc1,non-mutagenic
+SC(=N/C=C/N=C(S)S)S,non-mutagenic
+OC[C@@H]1O[C@@H](O[C@H]([C@@H](C(=O)N[C@H]([C@H]([C@@H](C(=O)N[C@H](C(=O)NCCc2scc(n2)c2scc(n2)C(=O)NCCCN(CCC(N(c2ccc(c(c2)OCc2ccccc2)OCc2ccccc2)C)N(c2ccc(c(c2)OCc2ccccc2)OCc2ccccc2)C)C)[C@H](O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)c2nc[nH]c2)[C@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@@H]1O)OC(=O)N)O,mutagenic
+Cc1ccc(cc1)/C=C/c1ccc(cc1)[N+](=O)[O-],mutagenic
+OCCN(c1ccc(cc1O)[N+](=O)[O-])CCO,mutagenic
+CN(c1ccc(c2c1C(=O)c1c(C2=O)c(O)ccc1O)N(C)C)C,mutagenic
+CC(=O)Nc1cc(N=Nc2ccc(c(c2)NC(=O)C)C)ccc1C,non-mutagenic
+OCc1cnc2c(n1)c1nc(n(c1cc2)C)NS(=O)(=O)O,non-mutagenic
+CC1CCCC2(C1(O)CCCC2)C,non-mutagenic
+Clc1ccc(c(c1)N=Nc1c(O)c(cc2c1cccc2)C(=O)Nc1ccccc1)Cl,mutagenic
+Cc1ccc2c(c1)c(N)c1c(n2)cccc1,mutagenic
+Cn1c(N)nc2c1ccc1c2nc(c(n1)c1ccccc1)c1ccccc1,non-mutagenic
+COC(C(Cl)Cl)(F)F,non-mutagenic
+[O-][N+](=O)c1c2ccccc2c2c3c1CCc1c3c(cc2)ccc1,mutagenic
+O=CC(=O)O,mutagenic
+Nc1ccc(cc1)Oc1ccc(cc1Cl)Cl,mutagenic
+CC(=O)CCOOCCC(=O)C,non-mutagenic
+c1ccc(cc1)C(c1ccccc1)c1ccccc1,non-mutagenic
+OC[C@H]1CC[C@H](O1)n1cnc2c1ncnc2N,mutagenic
+O=NN(Cc1ccc(cc1)C(=O)O)C,non-mutagenic
+NC(C(=O)O)CCCCNCC(C(=O)O)N,non-mutagenic
+O=CC1=CC2(O)CC(CC2C2(C1(C=O)C2)C)(C)C,mutagenic
+Clc1cccc2c1cccc2,mutagenic
+CNNCc1ccc(cc1)C(=O)NC(C)C,non-mutagenic
+CCN1CCNC(=O)C1=O,non-mutagenic
+[O-][N+](=O)c1cccc2c1cccc2,mutagenic
+OC(=O)/C=C/c1cccc(c1)[N+](=O)[O-],mutagenic
+[O-][N+](=O)c1cccc2c1c1ccccc1o2,mutagenic
+Cn1c(=O)n(C)c2c(c1=O)nc[nH]2,non-mutagenic
+[O-][N+](=O)c1c2ccccc2c(c2c1cccc2)[N+](=O)[O-],non-mutagenic
+Oc1ccc(c2c1cccc2)O,mutagenic
+COP(=O)(OC=C(Cl)Cl)OC,mutagenic
+CC(CC(c1ccc(cc1)OCCOCC[N+](Cc1ccccc1)(C)C)(C)C)(C)C,non-mutagenic
+c1cc2ccc3c4c2c(c1)cc1c4c2c(c3)cccc2cc1,mutagenic
+c1ccc2c(n1)C1OC1C1C2O1,non-mutagenic
+CCCOC(=O)c1ccc(cc1)O,non-mutagenic
+O=C1C=CC(=NC(=O)C)C=C1,non-mutagenic
+FCC(F)(F)F,non-mutagenic
+O=C1c2ccccc2-c2c3c1ccc1c3c(cc2)c2c3c1ccc1c3c(-c3c(C1=O)cccc3)cc2,mutagenic
+Nc1cc(Cl)cc(c1)Cl,non-mutagenic
+O1CCOCCOc2c(OCCOCC1)cccc2,non-mutagenic
+COc1cc([N+](=O)[O-])c(c(c1)C(C)(C)C)O,non-mutagenic
+COC(=O)Nc1[nH]c2c(n1)cc(cc2)C(=O)c1ccc(cc1)F,non-mutagenic
+COc1cc(O)c2c(c1)C1=CC(O)C(CC1(OC2=O)C)O,non-mutagenic
+O=C1C=CC2=[N+](C(/C(=N/c3ccccc3)/C2=C1)(c1ccccc1)c1ccccc1)[O-],non-mutagenic
+OC1OC(=O)C=C1CCl,mutagenic
+CC(c1ccccc1)CCN=N#N,mutagenic
+CCOc1ccc(cc1)N(C(=O)C)O,mutagenic
+OC(=O)C(c1ccc(cc1)Oc1nccs1)C,non-mutagenic
+CCC(=O)O,non-mutagenic
+CCOC(=O)c1ccc(cc1)N(C=O)O,non-mutagenic
+CCN=C=S,non-mutagenic
+c1ccc2c(n1)c1[nH]ccc1cc2,non-mutagenic
+OO[C@@H]1CCCc2c1cccc2,mutagenic
+BrCC(=C)Br,mutagenic
+O=C1CCC(C(=O)N1)N1C(=O)c2c(C1=O)cccc2,non-mutagenic
+[O-][N+](=O)c1ccccc1C(=O)O,mutagenic
+Cc1ccc(c(c1)O)O,non-mutagenic
+CC(CCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC(C)C)C,non-mutagenic
+Cc1c(C)c([N+](=O)[O-])c(c(c1C)[N+](=O)[O-])C(C)(C)C,non-mutagenic
+Nc1cccc(c1)Cl,non-mutagenic
+CC/C=C/C=C/C=C/C=C/C=C/OCC(O)C,mutagenic
+C/C=C\1/CC(=C)[C@](O)(CO)C(=O)OCC2=CCN3[C@H]2[C@@H](OC1=O)CC3,mutagenic
+COc1ccc(c2c1C(=O)c1ccccc1C2=O)N,mutagenic
+Nc1ccc(cc1)Sc1ccc(cc1)[N+](=O)[O-],mutagenic
+COc1cccc2c1C(=O)c1c(C2=O)c(O)c2c(c1O)[C@@H](O)C[C@](C2)(O)C(=O)C,mutagenic
+C[Si](N=N#N)(C)C,mutagenic
+CC#CC(c1ccccc1)(c1ccccc1)OC(=O)NC1CCCCC1,mutagenic
+c1ccc(cc1)P(c1ccccc1)c1ccccc1,non-mutagenic
+ONC(=O)c1ccc2c(c1)cccc2,mutagenic
+N#Cc1ccc2c(c1)nc([nH]2)N,mutagenic
+CC12OOC1Oc1c2cccc1,mutagenic
+Oc1ccc(c(c1Cl)Cl)Cl,non-mutagenic
+Cc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)ccc1,mutagenic
+Clc1ccc(cc1)Cn1c(/C=N/OCc2cccc(c2)[N+](=O)[O-])nc2c1ccc(c2)[N+](=O)[O-],non-mutagenic
+CCCCN(/C(=N/O)/C=O)N=O,mutagenic
+CNc1ccc(cc1)[N+](=O)[O-],mutagenic
+C(C[C@@H]1OC1)CC[C@@H]1OC1,mutagenic
+O=CCC(C)C,non-mutagenic
+OC1C(O)C2OC2c2c1ccc1c2c2ccccc2c2c1cccc2,mutagenic
+CC(=O)Nc1ccc(cc1)Nc1ccc(cc1)[N+](=O)[O-],mutagenic
+CC(O)C,non-mutagenic
+CCl,mutagenic
+O=C1NCC(=O)N1,non-mutagenic
+Oc1c(O)ccc2c1C(=O)c1c(C2=O)c(O)ccc1O,mutagenic
+COC[C@H]1CO1,mutagenic
+COc1ccc(cc1)CN(c1ccccn1)CC[N+](C)(C)[O-],non-mutagenic
+NN(c1ccc(cc1)C)c1ccc(cc1)C,mutagenic
+Cc1nc(C)cc(c1)c1cc2c(cc1F)n1c(n2C2CC2)cc(=O)[nH]c1=O,mutagenic
+OC(=O)CCl,non-mutagenic
+ClCC(CCl)Br,mutagenic
+CO/N=C(/c1csc(n1)N)\C(=O)NC1C(=O)N2C1SCC(=C2C(=O)OCOC(=O)C(C)(C)C)/C=C/c1scnc1C,non-mutagenic
+O=NN(C(=O)c1n(C)cnc1N(N=O)C)C,mutagenic
+c1ccc2-c3c4c(-c2c1)c1ccccc1cc4ccc3,mutagenic
+O=C(c1csc(c1)[N+](=O)[O-])Nc1ccccc1C,mutagenic
+CC(=N)S,non-mutagenic
+COc1nsc2c1ccc(c2)N,mutagenic
+[O-][N+](=O)c1ccccc1O,non-mutagenic
+Cc1cnc2c(n1)c1nc(n(c1cc2C)C)N,mutagenic
+Nc1ccc(cc1)/C=C/c1ccccc1,mutagenic
+O=C1CCc2c1c1ccc3c(c1c(c2)C)cccc3,mutagenic
+OC1CCCc2c1cc1ccc3c4c1c2ccc4c(cc3)[N+](=O)[O-],mutagenic
+CCCCCCC1OC1,non-mutagenic
+c1ccc2c(c1)c1cc3ccc4c(c3nc1cc2)cccc4,mutagenic
+NNC(=O)N,non-mutagenic
+CC1CN(C)C2C(C1)c1cccc3c1c(C2)cn3C1CCCC1,mutagenic
+Nn1nnc2-c(c1O)nc1c2cccc1,mutagenic
+N#N=NCC(C(C(C(CO)O)O)O)O,mutagenic
+NC(=O)N/N=C/c1ccc(o1)[N+](=O)[O-],mutagenic
+c1ccc(cc1)Oc1ccc(cc1)/C=N/N1N=Nc2c(C1)[nH]c1c2cccc1,non-mutagenic
+N#Cc1cccc(c1)/C=C/c1ccc(cc1)N,mutagenic
+COc1cc(O)ccc1Nc1c2ccccc2nc2c1cccc2,mutagenic
+Cc1c2C3NC3c3c(-c2c(c2c1cccc2)C)cccc3,mutagenic
+O=c1ccc2c(o1)cccc2,mutagenic
+Clc1nncc2c1cccn2,non-mutagenic
+CCN(C(=O)N(C)C)N=O,mutagenic
+O=NN1CCCCCCCCCCCC1,mutagenic
+Nc1cc([N+](=O)[O-])c(c(c1C)C)N,mutagenic
+O=NN(Cc1ccc(cc1)C)C,non-mutagenic
+O=Nc1cc(ccc1C)[N+](=O)[O-],mutagenic
+Cc1cccc(c1N)C,mutagenic non-mutagenic
+[O-][N+](=O)c1ccc(c(c1)C)N,mutagenic
+Clc1ccc(cc1)C(=O)c1ccc(cc1)OC(C(=O)O)(C)C,non-mutagenic
+CC(=O)Nc1ccc(cc1)Oc1ccc(cc1)N,mutagenic
+NNc1ccccc1,mutagenic
+O=C1c2ccccc2CCc2c1cccc2,non-mutagenic
+CC(N)(C)C,non-mutagenic
+O=C1C=CC(=O)O1,non-mutagenic
+c1cc2ccc3c4c2c(c1)ccc4cc1c3cco1,mutagenic
+Cc1cccc2c1nccc2,mutagenic
+CCCC[C@@H](COC(=O)c1cccc(c1)C(=O)OC[C@H](CCCC)CC)CC,non-mutagenic
+O1CC1Oc1ccccc1,mutagenic
+Oc1ccc(c(c1)C(C)(C)C)O,non-mutagenic
+COc1cc2-c3c(O)c(OC)cc4c3C(Cc2cc1O)[N+](C)(C)CC4,non-mutagenic
+CC/C=C/C=C/C=C/C=C/OCC(CO)O,mutagenic
+O=Nc1cccc(c1)c1ccccc1,mutagenic
+ClCCC(=O)N(c1snc2c1cccc2)CC,mutagenic
+OC1C2OC2c2c(C1O)ccc1c2c(C)cc2c1CCC2,mutagenic
+CC(c1c(C)n(n(c1=O)c1ccccc1)C)C,non-mutagenic
+S(Cc1ccccc1)SCc1ccccc1,mutagenic
+Nc1cc2nc3cc(N)c(cc3cc2cc1C)C,mutagenic
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)cc2c1CCCC2,mutagenic
+OCCNC(=O)N(CCCl)N=O,mutagenic
+[CH2-][N+](=O)[O-],non-mutagenic
+Nc1cc(N)c(cc1N=Nc1ccccc1)C,mutagenic
+Cc1cc(O)c(cc1C1(OS(=O)(=O)c2c1cccc2)c1cc(C)c(cc1C)O)C,non-mutagenic
+CCN(S(=O)(=O)c1ccc(cc1)NC(=O)C)CC,non-mutagenic
+CN(c1ccc2c(c1)nc1c(c2)ccc(c1)N(C)C)C,mutagenic
+O=C(c1ccccc1)Nc1cccc2c1C(=O)c1c(C2=O)c(Cl)ccc1,mutagenic
+OC(=O)C1CC=C(C=C1)OP1(Oc2ccc(cc2)C(=O)O)NP(Oc2ccc(cc2)C(=O)O)(Oc2ccc(cc2)C(=O)O)NP(N1)(Oc1ccc(cc1)C(=O)O)Oc1ccc(cc1)C(=O)O,non-mutagenic
+CCCCCCCCCc1ccccc1C(OS(=O)(=O)O)CO,non-mutagenic
+Oc1ccc2c(c1)c(cc(c2)S(=O)(=O)O)S(=O)(=O)O,non-mutagenic
+IC(I)I,mutagenic
+ClCBr,mutagenic
+O=C1NC(=O)C(N1)(c1ccc(cc1)O)c1ccccc1,non-mutagenic
+CCCCC(=O)Nc1snc2c1cc(Cl)cc2,non-mutagenic
+C=CC(=O)OCCCCCOC(=O)C=C,non-mutagenic
+CC[C@H]1CN2CCc3c([C@H]2C[C@H]1C[C@H]1NCCc2c1cc(OC)c(c2)OC)cc(c(c3)OC)OC,non-mutagenic
+Cc1ccc(cc1NCC)O,mutagenic
+Cc1ccc2c(c1)c1ccc3c4c1c(c2)ccc4ccc3,mutagenic
+c1ccc2c(c1)[nH]cc2,non-mutagenic
+COc1ccc(cc1)OC,non-mutagenic
+O=NN1CCC[C@@H]1c1cccnc1,mutagenic
+CCCCCCCCO,non-mutagenic
+[O-][N+](=O)c1cccc(c1Cl)Cl,non-mutagenic
+O=C/C=C/C=O,mutagenic
+Nc1ccccc1N,mutagenic
+Cc1cc2c(C)cccc2c2c1c1ccccc1cc2,mutagenic
+[O-][N+](=O)c1c2CCC=Cc2c2c3c1ccc1c3c(cc2)ccc1,non-mutagenic
+O=C1c2ccccc2CN2N1Cc1ccccc1C2=O,non-mutagenic
+[O-][N+](=O)c1ccc2c(c1)Oc1c(O2)cccc1,mutagenic
+CC1CS1,non-mutagenic
+[O-][N+](=O)c1scc(c1)C(=O)N,mutagenic
+c1ccc2c(n1)c1ncccc1cc2,non-mutagenic
+c1ccc2c(c1)cc1c(c2)cc2c3c1C=Cc3ccc2,mutagenic
+C/C=C/C,non-mutagenic
+O[C@@H](c1ccc2c(c1)OCO2)[C@@H]1CO1,mutagenic
+c1ccc2c(c1)ccc1c2cc2cccc3c2c1C1OC31,mutagenic
+CC(=O)Nc1ccc(cc1)Cc1ccc(cc1)N,non-mutagenic
+OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C1CC1,non-mutagenic
+[O-][N+](=O)c1cc2c(Cl)nsc2cc1,mutagenic
+[O-][N+](=O)c1ccc2c(c1)cc1-c3cccc4c3c(-c1n2)ccc4,mutagenic
+O=C1c2ccccc2Cc2c1cccc2,mutagenic
+Nc1ccc(c(c1)N)Cl,mutagenic
+Fc1ccccn1,mutagenic
+Oc1c2ccccc2cc2c1ccc(c2O)O,mutagenic
+CC(=O)Nc1ccc(cc1)Oc1ccc(cc1)NC(=O)C,non-mutagenic
+COC(=O)C(=C)C#N,mutagenic
+O=Nc1ccc(cc1)Oc1ccccc1,mutagenic
+[O-][N+](=O)c1ccccc1,non-mutagenic
+O=C=S,mutagenic
+NC(C(=O)O)CSC(C(Br)Cl)(F)F,mutagenic
+C[C@H](CN(C[C@H](O)C)C[C@H](O)C)O,non-mutagenic
+CC(c1ccccc1)N(C)C,non-mutagenic
+[O-][N+](=O)c1cn(c(n1)Cl)C[C@@H](COC)O,mutagenic
+[O-][N+](=O)c1ccc2c(c1)c1c(cc2[N+](=O)[O-])cccc1[N+](=O)[O-],mutagenic
+CC(=O)N(c1ccc(cc1)N=Nc1ccc(cc1)N(C)C)C,mutagenic
+[O-][N+](=O)C1=Cc2c3c1cc1cc4ccccc4cc1c3ccc2,mutagenic
+CCCC[C@H](COC(=O)c1ccccc1C(=O)O)CC,non-mutagenic
+NNc1scc(n1)c1ccc(cc1)N,mutagenic
+Cc1ccc(cc1)NN=NCc1ccccc1,mutagenic
+CCCCCCCCCCCCCCCCCC(=O)NCCCCC(C(=O)O)NC(=O)CCC(C(=O)N)NC(=O)C(NC(=O)C(OC(C(C(CO)O)O)C(NC(=O)C)C=O)C)C,non-mutagenic
+C[C@H]1CO1,mutagenic
+OC1=C/C(=N\c2ccc(cc2)[N+](=O)[O-])/C(=O)C=C1c1nnc(s1)NC(=O)c1ccccc1,mutagenic
+Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-],mutagenic
+O=C(C(F)(F)F)C(F)(F)F,non-mutagenic
+O=C(N(C)C)Nc1cccc(c1)C(F)(F)F,non-mutagenic
+COCCc1ccc(cc1)OCC(CNC(C)C)O,non-mutagenic
+OS(=O)(=O)c1ccc2c3c1ccc1c3c(cc2)ccc1,mutagenic
+CC1(OC1)c1ccc(cc1)c1ccccc1,mutagenic
+O=C/C(=C(/C(=O)O)\Cl)/Cl,mutagenic
+CCCCCC(=O)O,non-mutagenic
+Clc1ccc2c(c1)Oc1c(O2)cc(cc1)Cl,non-mutagenic
+[O-][N+](=O)c1cc(Cl)c(c(c1)Cl)N,mutagenic
+O=C(C1c2ccccc2Oc2c1cccc2)OCC[N+](C(C)C)(C(C)C)C,non-mutagenic
+Cc1ccc2c(c1)C(=O)c1c(C2=O)cccc1,non-mutagenic
+CC(=O)Nc1ccc(cc1)Sc1ccccc1,mutagenic
+N#CCCN(c1ccc(cc1)N=Nc1ccc2c(c1)scn2)C,mutagenic
+ClC(=C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl,non-mutagenic
+CCCCCCCOc1ccccc1NC(=O)OCCN1CCCCC1,non-mutagenic
+OC(=O)C(C(C(C(C(C(C(Cl)(F)F)(Cl)F)(F)F)(Cl)F)(F)F)(Cl)F)(F)F,non-mutagenic
+COc1ccccc1N=Nc1c(O)ccc2c1cccc2,mutagenic
+O=CN(c1ccc2c(c1)cccc2)O,mutagenic
+CC(=O)c1ccco1,mutagenic
+CCCCNCC,non-mutagenic
+[O-][N+](=O)c1ccc2c3c1-c1ccccc1-c3ccc2,mutagenic
+[O-][N+](=O)c1ccc2c(c1)ncn2C,non-mutagenic
+COc1ccccc1c1ccccc1,non-mutagenic
+CC(CC(=O)CC(C)C)C,non-mutagenic
+Brc1ccc(cc1)/C=C/C(=O)c1ccccc1,non-mutagenic
+CNP1(NC)NP(NC)(NC)NP(N1)(NC)NC,non-mutagenic
+Nc1ccc(cc1)CCc1ccccc1,mutagenic
+CCOC(=O)Nc1cccc2c1nc1-c2c[nH]cc1,non-mutagenic
+Fc1ccc2-c3c(C(c2c1)C)cccc3,mutagenic
+Nc1cccc2c1C(=O)c1cccc(c1C2=O)N,mutagenic
+CCn1c2ccc(cc2c2c1cccc2)N,mutagenic
+Cc1cccc2c1N(C)C1=Nc3c(C1C2C)cccc3,mutagenic
+OCCNc1ccc(c2c1C(=O)c1ccccc1C2=O)NC,mutagenic
+CCCCN(CCC(=O)OC)N=O,mutagenic
+Clc1ccc(c(c1)N)[N+](=O)[O-],mutagenic
+COCC=O,mutagenic
+Cc1scc(n1)c1ccc(o1)[N+](=O)[O-],mutagenic
+CN(N=Nc1ccc(cc1)[N+](=O)[O-])C,mutagenic
+ONc1cc(C)ccc1C,mutagenic
+c1ccc2-c3ccc4c(c3[C@@H]3[C@H](c2c1)N3)cccc4,mutagenic
+O=NN1CN2CN(C1)CN(C2)N=O,mutagenic
+NNc1nc2c(s1)c1c(cc2)nc2c(c1O)cccc2,mutagenic
+OC(=O)[C@H](Br)Cl,mutagenic
+NC(=O)C1CO1,mutagenic
+COC(=O)C(Oc1ccc(cc1)c1ccc(cc1)Cl)(C)C,non-mutagenic
+Nc1ccc2c(c1)[s+]c1c(n2)ccc(c1)N,mutagenic
+O=C1c2cc(ccc2-c2c1cc(cc2)[N+](=O)[O-])[N+](=O)[O-],mutagenic
+OC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)N1C(=O)c2c3c1cc1c(OC)cccc1c3c1c(c2)OCO1,non-mutagenic
+SC[C@@H](C(=O)O)NC(=O)C,mutagenic
+CC1=Cc2nc3c(c(c2C(C1O)O)C)ccc1c3cccc1,mutagenic
+CCCCON=O,mutagenic
+ClC[C@@H]1O[C@H](CCl)O[C@@H](O1)CCl,mutagenic
+Fc1ccc2c(n1)cccc2,non-mutagenic
+N1CCN(CC1)c1ccccc1,non-mutagenic
+COC(C)(C)C,non-mutagenic
+CN(CCNS(=O)(=O)c1cccc2c1nccc2)C,non-mutagenic
+Oc1cc(O)c2c(c1)oc(c(c2=O)O)c1ccccc1,non-mutagenic
+Oc1ccccc1c1ccccc1O,non-mutagenic
+COc1cc(C=O)ccc1OC,non-mutagenic
+ClCc1ccc(cc1)CCl,non-mutagenic
+Oc1ccc2c(c1)c1c(C)c(N)cc(c1[nH]2)C,mutagenic
+Cc1ccc(cc1)S(=O)(=O)n1ncc(c(c1=O)Cl)Cl,non-mutagenic
+CC(=O)OCN([N+](=O)[O-])C,mutagenic
+CC(c1c(N)ccc2-c3c(Cc12)cccc3)C,mutagenic
+Cc1cccc2-c3c(C(c12)C)cccc3,mutagenic
+[O-][N+](=O)OC(CO[N+](=O)[O-])CO[N+](=O)[O-],mutagenic
+CCOP(=S)(Oc1ccc(cc1)S(=O)C)OCC,non-mutagenic
+CCCCON(C(=O)c1ccc(cc1)OC)OC(=O)C,mutagenic
+Br[C@@H]1CC[C@H](Br)[C@H](Br)CC[C@H]([C@H](CC[C@H]1Br)Br)Br,non-mutagenic
+CN(C(=O)/C=C/c1ccc(o1)[N+](=O)[O-])C,mutagenic
+CN(CCCNc1c2ccccc2nc2c1c(ccc2)[N+](=O)[O-])C,mutagenic
+c1ccc2-c3ccc4c(c3C3C(c2c1)O3)cccc4,mutagenic
+CCN(C(=O)/C(=C(\OP(=O)(OC)OC)/C)/Cl)CC,mutagenic
+OC(=O)C(CS/C(=C(/C(=C(Cl)Cl)Cl)\Cl)/Cl)N,mutagenic
+COc1cc(OC)c(c(c1)n1c(cc(=O)c(c1c1ccc(cc1)F)C)c1ccccc1)Cl,non-mutagenic
+Nc1c2cc(C)ccc2nc2c1cc(C)cc2,mutagenic
+FC(C(C(F)(F)F)F)F,non-mutagenic
+Cc1ccc(c(c1C(c1ncc(n1C)[N+](=O)[O-])O)O)C(C)(C)C,non-mutagenic
+CN(c1ccc2c(c1)[s+]c1c(n2)ccc(c1)N(C)C)C,mutagenic
+CC/C=C/C=C/C=C/C=C/C=C/C=C/OCC(CO)O,mutagenic
+CC(=O)Nc1cccc(c1C)N=Nc1cccc(c1C)NC(=O)C,non-mutagenic
+CNC(=O)NC,non-mutagenic
+CCCC[C@H](COCCC#N)CC,non-mutagenic
+OC(=O)CCCCCCCCCCCNC(=O)C1CC(N(C1(C)C)O)(C)C,non-mutagenic
+O=C1CCCc2c1cc(C)c1c2ccc2c1cccc2,mutagenic
+COc1cc(C=O)ccc1O,non-mutagenic
+CCNS(=O)(=O)c1ccc(cc1)C,non-mutagenic
+N#CCC[C@H](C#N)C,mutagenic
+Cc1c2ccc3c(c2nc2c1cccc2)cccc3,mutagenic
+O=C(C(c1ccccc1)N)NC1C(=O)N2C1SC(C2C(=O)OCc1oc(=O)oc1C)(C)C,non-mutagenic
+O=c1ccc2c(o1)cc1c(c2OCC2OC2(C)C)cco1,non-mutagenic
+CNCCCN1c2ccccc2CCc2c1cccc2,non-mutagenic
+Clc1ccc(cc1)Nc1ccc(cc1)[N+](=O)[O-],mutagenic
+CCOC(=O)C(=NNc1ccc(cc1)c1ccc(cc1)NN=C(C(=O)OCC)C(=O)OCC)C(=O)OCC,non-mutagenic
+Cc1c(C)ccc(c1C)C,non-mutagenic
+O=NN(C(C(=O)C)OC(=O)C)C,mutagenic
+[O-][N+](=O)C1=Cc2c3c1cccc3c1c(c2)cc2c(c1)cccc2,mutagenic
+O=c1cc(C)c2c(o1)c1CCCN3c1c(c2)CCC3,mutagenic
+O=Cc1c(O)cc2c(c1O)C(=O)c1c(C2=O)cccc1,non-mutagenic
+CCCCCC(/C=C/C1C(O)CC(=O)C1C/C=C/CCCC(=O)O)(O)C,non-mutagenic
+CC(=O)Nc1ccc(cc1)O,non-mutagenic
+[O-][N+](=O)C([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-],mutagenic
+N#N=NCC(C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C,mutagenic
+O=c1oc(c(o1)CN1CCN(CC1)c1cc2c(cc1F)c(=O)c(c1n2C(C)S1)C(=O)O)C,non-mutagenic
+OC(=O)Cc1cccc(c1)[N+](=O)[O-],non-mutagenic
+Cc1cc(C)c(c(c1)C)C,non-mutagenic
+CC(=O)N,non-mutagenic
+ClC/C(=C(\C(=O)O)/Cl)/C=O,mutagenic
+CC(=O)n1ncc(c(c1=O)Cl)Cl,non-mutagenic
+ClCC(=O)Nc1snc2c1ccc(c2)Cl,mutagenic
+Clc1cc(Cl)c(c(c1Cl)[N+](=O)[O-])Cl,non-mutagenic
+CC(c1ccc(cc1)OC[C@@H]1OC1)(C)C,mutagenic
+ONc1cc2c([nH]1)cccc2,mutagenic
+Cc1cnc2c(n1)c(C)c(c1c2nc(n1C)N)C,mutagenic
+CC1CN(N=O)CC(N1C(=O)c1ccccc1)C,non-mutagenic
+Nc1ccc(cc1C)S(=O)(=O)O,non-mutagenic
+O=C1c2ccccc2C(=O)c2c1c(O)c(c(c2)O)C(=O)O,non-mutagenic
+Nc1c(C)cc(c(c1C)[N+](=O)[O-])N,non-mutagenic
+CC(O)(C)C,non-mutagenic
+CC(CC(=O)Nc1snc2c1cc(Cl)cc2)C,non-mutagenic
+O=C([C@H]1[C@@H](C1(C)C)C=C(C)C)OCN1C(=O)C2=C(C1=O)CCCC2,mutagenic
+NCN,mutagenic
+ClCC1C(CCl)C2(C(C1(Cl)C(=C2Cl)Cl)(Cl)Cl)Cl,non-mutagenic
+CC[C@@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](C(=O)[C@@H]([C@H]([C@]1(C)O)O)C)C)(C)O,non-mutagenic
+CCCCOCCOCCO,non-mutagenic
+CCCCCCCCCCCCCC(=O)N(c1ccc2-c3c(Cc2c1)cccc3)O,mutagenic
+BrCC(COP(=O)(OCC(CBr)Br)O)Br,mutagenic
+OCc1ccc(o1)C=O,mutagenic
+Oc1ccc2c(c1)c1c(cc2)ccc2c1n(C)cc2,mutagenic
+CCCCC(COC(=O)c1ccc(cc1)C(=O)OCC(CCCC)CC)CC,non-mutagenic
+C[C@H](CN)O,mutagenic
+ClN1C2C1c1ccccc1-c1c2cccc1,mutagenic
+ClCCN(CCCNc1c2cc(OC)ccc2nc2c1ccc(c2)Cl)CC,mutagenic
+ClCc1ccc2-c3c(-c4c2c1ccc4)cccc3,mutagenic
+OC(=O)C1CSSC(C(=O)N1)(C)C,non-mutagenic
+[O-][N+](=O)c1cccc2c1oc1c2cccc1,mutagenic
+COc1cc2OC3C(c2c2c1c1CCC(=O)c1c(=O)o2)CCO3,mutagenic
+ClC(=O)c1ccc(cc1)[N+](=O)[O-],mutagenic
+OC(COc1cccc2c1c1ccccc1[nH]2)CNC(C)C,non-mutagenic
+O=C1C2(Cl)C3(C4(C1(Cl)C1(C2(C3(Cl)C(C41Cl)(Cl)Cl)Cl)Cl)Cl)Cl,non-mutagenic
+O=Cc1ccccc1O,non-mutagenic
+OC[C@H]1O[C@@H](Oc2cccc3c2C(=O)c2c(C3=O)cccc2O)[C@@H]([C@H]([C@@H]1O)O)O,mutagenic
+CCOc1cccc(c1)N,mutagenic
+CCOC[C@H](COc1ccc(cc1)NC(=O)CC[S+](C)C)O,non-mutagenic
+Oc1cc(O)c2c(c1)oc(c(c2=O)O)c1ccc(c(c1)O)O,mutagenic
+C=CC(=O)OCC(C)(C)C,non-mutagenic
+[O-][N+](=O)c1cc2[nH]c3c(c2cc1N)cccc3,mutagenic
+O=C1c2ccccc2C(=O)c2c1ccc(c2[N+](=O)[O-])C,mutagenic
+Oc1ccc(c(c1)Cl)Cl,non-mutagenic
+O(Cc1ccccc1)Cc1ccccc1,non-mutagenic
+Cc1ccc(cc1)CC[C@@H]1OC1,mutagenic
+OC1C2OC2c2c(C1O)ccc1c2c2ccc3c(c2cc1)cccc3,mutagenic
+O=C1OC(=O)c2c1cc(cc2)C(=O)O,non-mutagenic
+C[n+]1c2ccccc2c(c2c1cccc2)N,mutagenic
+O[C@@H]1C=Cc2c([C@H]1O)c1ccc3c(c1cc2[N+](=O)[O-])cccc3,mutagenic
+Cc1ccc(cc1)S(=O)(=O)OCc1ccc(cc1)[N+](=O)[O-],mutagenic
+O=C(c1ccccc1)/C=C/c1ccc(cc1)Oc1ccccc1,non-mutagenic
+COc1ccc(cc1N)C,mutagenic
+CCCCC=C,non-mutagenic
+CC(=O)Nc1ccc(cc1)/C=C\c1ccccc1,mutagenic
+FC(C(Cl)(Cl)F)(Cl)Cl,mutagenic
+CC/C=C/CC/C=C/C=O,non-mutagenic
+OC1C=Cc2c(C1O)ccc1c2cccn1,non-mutagenic
+CCCC[C@H](COC[C@H]1CO1)CC,mutagenic
+Oc1ccc2c(c1)oc(=O)c1c2oc2c1ccc(c2)O,non-mutagenic
+CCN(c1ccccc1)Cc1ccccc1,non-mutagenic
+COc1ccc(cc1)C(C(Cl)(Cl)Cl)c1ccc(cc1)OC,non-mutagenic
+CCCCN(C[C@H](C1=CC(=[N+]=[N-])C(=O)C=C1)O)N=O,mutagenic
+Oc1c(O)cccc1O,mutagenic
+COS(=O)(=O)OC,mutagenic
+CN(c1ccc(cc1)N=Nc1ccc2c(c1)scn2)C,mutagenic
+NN(c1ccccc1)c1ccccc1,non-mutagenic
+CCN=[N+](C)[O-],non-mutagenic
+[O-][N+](=O)c1ccc2-c3cc4CCc5c(-c4cc3CCc2c1)cccc5,mutagenic
+OOC([C@@H]1CC[C@H](CC1)C)(C)C,mutagenic
+OC(=O)/C=C/C=C/C(=O)O,non-mutagenic
+O=C1Cc2cc3ccc(cc3cc2C(C1O)O)[N+](=O)[O-],non-mutagenic
+CC(CCON=O)C,mutagenic
+CCNC(=O)CCC(C(=O)O)N,non-mutagenic
+CCCCC/C=C\C=C/C=O,non-mutagenic
+CCCN(C(=O)N)N=O,mutagenic
+CCCCCCCC/C=C\CCCCCCCC(=O)OC,non-mutagenic
+Fc1ccc(c(c1)F)N,mutagenic
+[O-][N+](=O)c1cc(cc(c1Cl)[N+](=O)[O-])C(F)(F)F,non-mutagenic
+OC(COc1cccc2c1C=CC2)CNC(C)C,non-mutagenic
+c1ccc2c(c1)c1ccc3c(c1cc2)nccc3,mutagenic
+ClCC(=O)N(c1snc2c1cccc2)C,non-mutagenic
+CCCCCCCCS(=O)[C@@H](Cc1ccc2c(c1)OCO2)C,non-mutagenic
+CCCCC(=C)C=O,mutagenic
+Nc1ccc(cc1)Sc1ccc(cc1)N,mutagenic
+COc1ccc(c(c1)OC)N,mutagenic
+CC(=O)N(C)C,non-mutagenic
+COc1cc2O[C@@H]3[C@H](c2c2c1c1[C@@H](Cl)[C@H](C(=O)c1c(=O)o2)Cl)C=CO3,mutagenic
+OC1C(O)c2ccc(c3c2c2c1cccc2c1c3cccc1)[N+](=O)[O-],mutagenic
+OC(=O)C1OC(Oc2cccc3c2cc2ccc4c5c2c3ccc5ccc4)C(C(C1O)O)O,non-mutagenic
+CCN(CCOc1ccc2-c3c(C(=O)c2c1)cc(cc3)OCCN(CC)CC)CC,mutagenic
+O1CCOCCOCCOCCOCCOCC1,non-mutagenic
+CCOC(=O)C[C@H](C(=O)OCC)SP(=O)(OC)OC,non-mutagenic
+O=C1C(c2ccc3c(n2)cccc3)C(=O)c2c1cccc2,mutagenic
+CC(=O)O,non-mutagenic
+Cc1ccc(cc1N)N=Nc1ccc(c(c1)N)C,mutagenic
+ClC1=C(Cl)C(C(=C1Cl)Cl)(Cl)Cl,non-mutagenic
+CCN(CC)CC,non-mutagenic
+BrCc1cccc2-c3c4c(-c12)cccc4ccc3,mutagenic
+N#N=NCC(Cn1cnc2c1nc(N)nc2N)O,mutagenic
+O=C=NC1CCCCC1,non-mutagenic
+C=CC(=O)OCCCCCCOC(=O)C=C,non-mutagenic
+O=c1n(CC2CO2)sc2c1ccc(c2)OCC1CO1,mutagenic
+CCCNC(=O)NS(=O)(=O)c1ccc(cc1)Cl,non-mutagenic
+O=Cc1ccc(cc1)O,non-mutagenic
+CCCSSCC=C,non-mutagenic
+OC(C(Cl)(Cl)Cl)Nc1snc2c1cccc2,non-mutagenic
+NNC(C(=O)O)(Cc1ccc(c(c1)O)O)C,mutagenic
+Brc1c(Oc2c(Br)c(Br)c(c(c2Br)Br)Br)c(Br)c(c(c1Br)Br)Br,non-mutagenic
+Clc1cc(N)c(c(c1)S(=O)(=O)O)O,non-mutagenic
+c1ccc2-c3c4c(-c2c1)nc1ccccc1c4c1c(n3)cccc1,non-mutagenic
+C1CCCC1,non-mutagenic
+ClC(C(Cl)(Cl)Cl)Cl,non-mutagenic
+ONc1ccc(cc1C)C,mutagenic
+CSSC,non-mutagenic
+COc1cccc2c1nc1occc1c2OC,mutagenic
+Cc1c(C)cccc1C,mutagenic
+Oc1c2c(OC3C2C=CO3)cc2c1c(=O)c1c(o2)cccc1O,non-mutagenic
+N[C@@H](C(=O)O)Cc1ccc(cc1)F,non-mutagenic
+NC(C(=O)O)CSC(C(Br)Br)(F)F,mutagenic
+Oc1cc2c(=O)oc3c4c2c(c1O)oc(=O)c4cc(c3O)O,non-mutagenic
+OC[C@@]1(O)C[C@H](O[C@@H]2O[C@@H](C)[C@H]([C@H]([C@H]2I)O)O)c2c(C1)c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2,mutagenic
+COc1nncc2c1nccc2,non-mutagenic
+Nc1ccc2c(c1)c1c(C)c3cnccc3c(c1[nH]2)C,mutagenic
+COc1cc(ccc1N=Nc1c(O)c2ccc(cc2cc1S(=O)(=O)O)N)c1ccc(c(c1)OC)N=Nc1cc(c2c(c1O)cccc2)S(=O)(=O)O,mutagenic
+N#N=NCC(Cn1cnc2c1ncnc2SC)O,mutagenic
+COc1ccc(cc1OC)Cc1nccc2c1cc(OC)c(c2)OC,non-mutagenic
+BrCCC(=O)N1CCN(CC1)C(=O)CCBr,mutagenic
+Clc1ccc(cc1)c1nc2c(o1)cccc2,non-mutagenic
+OC1CCCCC1,non-mutagenic
+N#N=Nc1ccc(c(c1)[N+](=O)[O-])F,mutagenic
+[O-][N+](=O)c1cc2ccccc2c2c1c(cc1c2OCO1)C(=O)O,mutagenic
+CCCCN(CC)CC,non-mutagenic
+CC(COC(=O)C(=C)C)C,non-mutagenic
+Clc1ccc(c(c1)Cl)C(Cl)(Cl)Cl,mutagenic
+Oc1cc2c3c4c1cccc4ccc3cc1c2cccc1,mutagenic
+O[C@H]1C=Cc2c([C@@H]1O)c1cc3c(nc1cc2)ccc1c3cccc1,mutagenic
+O=NN(C(=O)C(C(C)C)NC(=O)C)CC(=O)O,mutagenic
+[O-][N+](=O)c1ccccc1Nc1ccccc1,non-mutagenic
+Clc1ccc(c(c1)Cl)O,non-mutagenic
+C[C@@H]1CN(N=O)[C@H](CN1N=O)C,mutagenic
+Clc1ccc(cc1)C(=O)Cl,non-mutagenic
+O=C(c1ccccc1O)OCc1ccccc1,non-mutagenic
+OS(=O)(=O)c1ccc(cc1)NN=Nc1ccc(cc1)S(=O)(=O)O,non-mutagenic
+ClC(=O)CCc1ccccc1,mutagenic
+Nc1ccc2c(c1)nc1c(c2N)cccc1,mutagenic
+NCC(=O)NCC(=O)NCC(=O)NCC(=O)O,non-mutagenic
+CCc1ccc2c(c1[N+](=O)[O-])C(=O)c1c(C2=O)cccc1,mutagenic
+FC(C(F)(F)F)C(F)(F)F,non-mutagenic
+ClCC(CBr)(Br)C,non-mutagenic
+Nc1ccc(cc1)N=Nc1ccc(cc1)N,mutagenic
+O=C(Nc1ccccc1)CC(=O)C,non-mutagenic
+c1ccc2-c3c4c(-c2c1)cc1cccc2c1c4c(cc3)cc2,mutagenic
+O=C(c1csc(c1)[N+](=O)[O-])Nc1ccccc1F,mutagenic
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)[n+](c2c1cccc2)[O-],mutagenic
+Brc1ccc(cc1)NC(=O)c1csc(c1)[N+](=O)[O-],mutagenic
+ClC/C=C/CCl,mutagenic
+ONc1ccc2-c3c(Cc2c1)cccc3,mutagenic
+Cc1ccccc1Br,non-mutagenic
+OCCN=N#N,mutagenic
+Nc1ccc(cc1)N,mutagenic
+Oc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1C(=O)C)O,non-mutagenic
+[O-][N+](=O)c1cc(ccc1O)c1ccccc1,non-mutagenic
+O=NN(Cc1ccc(cc1)[N+](=O)[O-])C,mutagenic
+O=C1c2c(N)ccc(c2C(=O)c2c1c(N)ccc2N)N,mutagenic
+Clc1c(O)cccc1Cl,non-mutagenic
+[O-][N+](=O)c1ccccc1C(=O)Cl,mutagenic
+CCNC(=O)Nc1ccc(c(c1)C(=O)C)OCC(CNC(C)(C)C)O,non-mutagenic
+Nc1sc2c(n1)c(Cl)ccc2,non-mutagenic
+CC(c1cc(N)c(cc1N)[N+](=O)[O-])C,mutagenic
+O=C(c1csc(c1)[N+](=O)[O-])Nc1ccccc1Cl,mutagenic
+CCn1c(N)nc2c1ccc1c2ncc(n1)C,mutagenic
+[O-][N+](=O)NC(=N)N(N=O)CCCCCC,mutagenic
+Nc1ccc(cc1)/C=C/c1ccc(cc1)[N+](=O)[O-],mutagenic
+CC(C(C)(C)C)OP(=O)(Cl)C,non-mutagenic
+O=C1C=CC(=O)C(=C1)C(C)(C)C,mutagenic
+CCCCON(C(=O)c1ccc(cc1)Br)OC(=O)C,mutagenic
+Cc1cccc2c1-c1ccccc1C2C,mutagenic
+O=C1C=Cc2c(C1=O)ccc1c2c(C)cc2c1cccc2,mutagenic
+OCCN(CCO)C,non-mutagenic
+C/C=C\C=C/C(=O)O,non-mutagenic
+C[C@@H]1CCc2c1ccc1c2ccc2c1cccc2,mutagenic
+Sc1nc2c([nH]1)cccc2,non-mutagenic
+Ic1ccc(cc1)N=N/C(=N/Nc1ccc(cc1)[N+](=O)[O-])/c1ccccc1,non-mutagenic
+[O-][n+]1cccc2c1C1OC1C=C2,non-mutagenic
+ON1c2ccccc2/C(=N\c2ccccc2)/C1(c1ccccc1)c1ccccc1,non-mutagenic
+OC1C2OC2c2c(C1O)ccc1c2c(C)cc2c1cc(cc2)C,mutagenic
+OC(=O)CCN[N+](C)(C)C,non-mutagenic
+[O-][N+](=O)C1=Cc2c3c(O1)cccc3ccc2,mutagenic
+BrCCC(Br)Br,mutagenic
+CC1=CC(=O)C(=CC1=O)C,non-mutagenic
+O[C@H]1C(OC[C@H]([C@@H]1O)O)Nc1ccc(cc1)C,mutagenic
+BrCCOC(=O)CC(C(=O)OCCBr)O,mutagenic
+CC(=O)OCc1c2ccccc2c(c2c1c1ccccc1cc2)C,mutagenic
+CCSC(=O)Cl,non-mutagenic
+CCN(c1ccccc1)CC,non-mutagenic
+O=C1c2ccccc2C(=O)C1(O)O,non-mutagenic
+CCCCN(C(=O)N)N=O,mutagenic
+CN1CCC(=CC1)c1ccccc1,non-mutagenic
+ClCCN(c1ccc2c(c1)oc(c2)[N+](=O)[O-])CCCl,mutagenic
+Cc1ccc(c(c1)C)/N=C/N=C/N(c1ccc(cc1C)C)C,non-mutagenic
+COC(=O)C1c2cc3c(c(c2C(CC1(O)CC)OC1OC(C)C(C(C1)N(C)C)O)O)C(=O)c1c(C3=O)cccc1O,mutagenic
+COc1cc(ccc1N=N[C@@H](C(=O)Nc1ccccc1OC)C(=O)C)[N+](=O)[O-],non-mutagenic
+OC1C=Cc2c(C1O)cc1c(c2)ccc(c1)[N+](=O)[O-],mutagenic
+O=NN(CC(=O)C)COC(=O)C,mutagenic
+COc1ccc(cc1)/C(=C\C(=O)O)/Br,mutagenic
+ClC[C@H](O[C@@H](CCl)C)C,mutagenic
+Cc1ccc(cc1)NS(=O)(=O)c1cccc2c1nccc2,non-mutagenic
+COC(=O)c1ccc(cc1)C,non-mutagenic
+CC(=O)OCc1ccco1,mutagenic
+CC(c1cccc(c1)C(OOC(C)(C)C)(C)C)(OOC(C)(C)C)C,non-mutagenic
+CNS(=O)(=O)c1ccc(cc1)N,non-mutagenic
+Cc1c2cccc(c2nc2c1ccc1c2cccc1)C,mutagenic
+CCc1ccccc1N,non-mutagenic
+C1=COc2c(C=C1)c1cc3ccccc3cc1c1c2cccc1,mutagenic
+C1C=Cc2c(C1)cc1c3c2ccc2c3c(cc1)ccc2,mutagenic
+[O-][N+](=O)c1ccc(cc1)N=Nc1ccccc1,mutagenic
+C=CC(=C)CCC=C(C)C,non-mutagenic
+Cc1cc(cc(c1)C)[N+](=O)[O-],mutagenic
+Oc1c(O)cc(c2c1C(=O)c1ccccc1C2=O)O,mutagenic
+CCCOC(=O)c1cc(O)c(c(c1)O)O,non-mutagenic
+ClCCN(c1ccc2c(c1)cccc2)CCCl,mutagenic
+OC1C(O)C(O)COC1(O)CN(c1ccc(cc1)C)N=O,mutagenic
+O=C=Nc1ccc(c(c1)N=C=O)C,mutagenic
+ClC(=C)C#N,non-mutagenic
+COc1ccc2c(c1)[nH]c1c2CCN=C1C,non-mutagenic
+COc1cccc(c1)/C=C/c1ccc(cc1)N,mutagenic
+OCCN(N=O)CC,mutagenic
+Clc1ccc2c(c1)nc(n2C)N,mutagenic
+OC(=O)c1cccc(c1C)[N+](=O)[O-],mutagenic
+ClCCCNC(=O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N,mutagenic
+OCC1OC(CC1O)n1cnc2c1nc(O)nc2N,non-mutagenic
+Oc1ncnc2c1cccc2,non-mutagenic
+O=CC(=C(Cl)Cl)C(Cl)Cl,mutagenic
+CC(=O)OCc1ccc2c(c1)OCO2,non-mutagenic
+ClC(/C(=C(/C(=O)O)\Cl)/C(=O)O)Cl,mutagenic
+OCc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)ccc1,mutagenic
+Nc1ccc2c(c1)cns2,mutagenic
+[O-][N+](=O)c1ccc(cc1)c1nc2-c(c([nH]1)N)ncn2,mutagenic
+Sc1nc2c(s1)cccc2,non-mutagenic
+N#CCC[C@](C#N)(CBr)Br,non-mutagenic
+COc1ccc(cc1)N=[N+](c1ccc(cc1)OC)[O-],mutagenic
+COP(=S)(Oc1ccc(c(c1)C)[N+](=O)[O-])OC,mutagenic non-mutagenic
+CCOc1ccc(cc1)[N+](=O)[O-],mutagenic
+NCCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)O)N[C@H](C(=O)O)CCc1ccccc1,non-mutagenic
+Clc1cc(N)c(cc1c1cc(Cl)c(cc1Cl)N)Cl,mutagenic
+ClCCN(C(=O)NC1CCCCC1)N=O,mutagenic
+Cc1ccccc1N=Nc1ccc(cc1)N(C)C,non-mutagenic
+[O-][N+](=O)c1c2ccccc2c2c3c1ccc1c3c(cc2)c(cc1)[N+](=O)[O-],mutagenic
+[O-][N+](=O)c1ccc2c(c1)Oc1c(O2)ccc(c1)[N+](=O)[O-],mutagenic
+O[C@@H]1[C@@H]2O[C@@H]2c2c([C@H]1O)ccc1-c3c4c(-c21)cccc4ccc3,mutagenic
+Nc1ccc(c(c1)Cl)c1ccc(cc1Cl)N,mutagenic
+OC(=O)C1(C)CCCC2(C1CCC13C2CCC(C3)(C(=C)C1)O)C,mutagenic
+O=C1C=CC(=O)N1c1ccc(cc1)Cc1ccc(cc1)N1C(=O)C=CC1=O,non-mutagenic
+CCCC[C@@H](C(=O)O)CC,non-mutagenic
+Cc1ccc(c(c1)C)OP(=O)(Oc1ccc(cc1C)C)Oc1ccc(cc1C)C,non-mutagenic
+CCCCCCCCCCCCCOC(=O)C[N+](CC)(CC)CC,non-mutagenic
+COC(=O)c1ccc(cc1)C=O,non-mutagenic
+CC(C1C(=O)N2C1SC(=C2C(=O)O)C1CCCO1)O,non-mutagenic
+ClC1=CC(=O)C(C1=O)(Cl)Cl,mutagenic
+O=CC1C(=CCC2C1(C)CCC1C2(C)CCCC1(C)C)C=O,non-mutagenic
+N#N=Nc1nc2c(n1C)cccc2,mutagenic
+CN(CCN(c1ccccn1)Cc1ccc(cc1)O)C,non-mutagenic
+CC1OC(=O)c2c(C1)ccc(c2O)C(=O)NC(C(=O)O)Cc1ccccc1,non-mutagenic
+OC(=O)C(CC(=O)O)(CC(=O)O)O,non-mutagenic
+O=CNc1scc(n1)c1scc(c1)[N+](=O)[O-],mutagenic
+CCC(=O)/C=C/C1C(=CCCC1(C)C)C,non-mutagenic
+c1ccc(cc1)NNc1ccccc1,mutagenic
+CCCCCOc1cccc(c1)NC(=O)OC1CCCCC1N1CCCC1,non-mutagenic
+CCCN(CCC)CCC,non-mutagenic
+O=C1NC(=O)C(=C(Cl)Cl)C1,mutagenic
+NC(C(=O)O)C(C)C,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(CCC[C@H]([C@@H]1CC[C@H]2[C@]1(C)CC[C@@H]1[C@H]2CC2([C@H]3[C@]1(C)CC[C@@H](C3)Br)S(=O)(=O)CCS2(=O)=O)C)C,mutagenic
+CNS(=O)(=O)c1ccc(cc1)NC(=O)C,non-mutagenic
+OC[C@H]1O[C@@H](C[C@@H]1N=[N+]=[N-])n1cc(C)c(=O)[nH]c1=O,mutagenic
+[O-][N+](=O)c1cc([N+](=O)[O-])c2c3c1c1CCCCc1c1c3c(cc2)ccc1,mutagenic
+O=NN(c1ccncc1)C,non-mutagenic
+COC1=C[C@@H]2[C@@H]3Cc4c([C@@]2(CC1=O)CCN3C)c(O)c(cc4)OC,non-mutagenic
+CNC(=O)O/N=C\C(SC)(C)C,non-mutagenic
+CC(=O)Nc1snc2c1cccc2,mutagenic
+C=CCN(C1c2ccccc2-c2c(C1N1C3C1c1ccccc1-c1c3cccc1)cccc2)CC=C,non-mutagenic
+[O-][N+](=O)c1oc(c(c1Cl)Cl)C(=O)C,mutagenic
+OCC1OC(OC(C(C(=O)NC(C(C(C(=O)NC(C(=O)NCCc2scc(n2)c2scc(n2)C(=O)NCCc2nc[nH]c2)C(O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)C(CC(=O)N)NCC(C(=O)N)N)c2nc[nH]c2)C(C(C1O)O)OC1OC(CO)C(C(C1O)OC(=O)N)O,mutagenic
+Fc1ccc(cc1)NC(=O)c1csc(c1)[N+](=O)[O-],mutagenic
+ClC/C(=C(\C(=O)O)/Cl)/C(=O)O,non-mutagenic
+CCCNc1snc2c1cccc2,non-mutagenic
+N#Cc1ccc2c(c1)nc(n2C)N,mutagenic
+O=C(C1OC1)NCc1ccccc1,mutagenic
+[O-][N+](=O)c1cncn1C,mutagenic
+O=S1(=O)OCCCO1,mutagenic
+OC(=O)Cc1ccc(cc1)Cl,non-mutagenic
+Oc1cccc(c1)N(C)C,mutagenic
+Nc1c2ccccc2cc2c1cccc2,mutagenic
+[O-][N+](=O)c1ccc(cc1)S(=O)(=O)Cl,mutagenic
+CCc1cccc(c1N)CC,mutagenic
+[O-][N+](=O)c1cc2ccccc2cc1C,non-mutagenic
+CC(=O)OC1C(OCC(C1OC(=O)C)OC(=O)C)Nc1ccc(cc1)[N+](=O)[O-],mutagenic
+OCC1(O)CCC23CC1CC2CCC1C3(C)CCC(C1(C)CO)O,non-mutagenic
+CCC(=O)NCc1ccccc1,non-mutagenic
+ClC[C@H](Cl)C,mutagenic
+OC(=O)[C@@H]1[C@H](C(=O)O)[C@]2(C([C@]1(Cl)C(=C2Cl)Cl)(Cl)Cl)Cl,non-mutagenic
+O=C1C=CC(=O)C1(Cl)Cl,mutagenic
+CNC(=O)N(C(=O)NC)O,non-mutagenic
+BrCC#N,non-mutagenic
+[O-][N+](=O)c1ccc(s1)c1nc(N2CCOCC2)c2c(n1)cccc2,mutagenic
+C/C=N\O,mutagenic
+Fc1ccc(cc1)CN1C2C1c1ccccc1-c1c2cccc1,mutagenic
+O(CC1OC1)CCOCC1OC1,mutagenic
+Nc1cc(cc2c1c(O)c(c(c2)S(=O)(=O)O)N=Nc1ccccc1)S(=O)(=O)O,non-mutagenic
+[O-][N+](=O)c1ccc(cc1)Nc1ccccc1,non-mutagenic
+O=C1C=Cc2c(C1=O)ccc1c2ccc2c1cccc2,non-mutagenic
+CC(=O)N(c1ccc2-c3c(Cc2c1)cccc3)OC(=O)c1ccccc1,mutagenic
+NC[C@@H]1CC[C@H](CC1)C(=O)c1ccc(cc1)CCC(=O)O,non-mutagenic
+OC1COC2(C1CC(=O)C2(O)Cc1cn(c2c1cccc2)C)O,mutagenic
+CCC(=O)C(=O)CC,mutagenic
+ClCCSCCCl,mutagenic
+N#N=Nc1ccc2c(c1)c(Nc1ccc(cc1)NS(=O)(=O)C)c1c(n2)cccc1,mutagenic
+CCOP(=S)(Oc1cnc2c(n1)cccc2)OCC,non-mutagenic
+CCCCOC(=O)COc1cc(Cl)c(cc1Cl)Cl,non-mutagenic
+CCCC(=O)Nc1ccc(c(c1)C(=O)C)OC[C@@H](CNC(C)C)O,non-mutagenic
+[O-][N+](=O)c1ccc(cc1)/C=C/c1cccc(c1)[N+](=O)[O-],mutagenic
+[O-][N+](=O)c1ccc(o1)/C=C/c1ccc(cc1)C(=O)O,mutagenic
+Oc1cc2ccccc2c(c1)O,mutagenic
+O=C/C(=C\c1ccccc1)/C,non-mutagenic
+Oc1ccc2c(c1)c1c(cc2)c(C)cc2c1nc([nH]2)C,mutagenic
+Cc1cc(O)c2c(c1O)C(=O)c1c(C2=O)c(O)ccc1O,mutagenic
+COc1ccc2c(c1)ccc(c2)C(C(=O)O)C,non-mutagenic
+COc1c(OC)ccc2c1C(=O)O[C@@H]2[C@@H]1N(C)CCc2c1cc1OCOc1c2,non-mutagenic
+OC(=O)/C(=C(/C(=O)O)\C)/Cl,non-mutagenic
+Clc1ccc(c(c1)C)O,non-mutagenic
+CC(CCCC(C1CCC2C1(C)CCC1C2CC=C2C1(C)CCCC2)C)C,non-mutagenic
+Fc1ccccc1C(=O)c1c(C)nn(c1N)C,mutagenic
+C1C/C=C/CCC2C(CC/C=C\1)O2,non-mutagenic
+[O-][n+]1cnc2c(c1N)[nH]cn2,mutagenic
+CC(=O)Nc1ccc(cc1)S(=O)(=O)c1ccc(cc1)N,non-mutagenic
+COc1ccc2c(c1)c1cc(OC)ccc1c1c2c2ccc(cc2c2c1ccc(c2)OC)OC,mutagenic
+Clc1ccc(c(c1)Cl)N,mutagenic
+CCCCCCCCCCCCCCCCCCCCCCCCCCCCO,non-mutagenic
+CC(=C)C#N,non-mutagenic
+CN,non-mutagenic
+NCCc1c[nH]c2c1cccc2,non-mutagenic
+CC1=Nc2c(C1(C)C)cccc2,non-mutagenic
+N#N=Nc1ccc2c(c1)nc1c(c2Nc2ccc(cc2)NS(=O)(=O)C)cccc1,mutagenic
+BrC/C=C\CBr,mutagenic
+CCCCN1C2C1c1ccccc1-c1c2cccc1,mutagenic
+Clc1ccc2c(c1)nsc2N,mutagenic
+CO/N=C(/c1nsc(n1)N)\C(=O)NC1C(=O)N2C1SCC(=C2C(=O)O)C[n+]1ccn2c1cccn2,non-mutagenic
+C[C@@H](ON=O)CC,mutagenic
+CC(C(=O)Nc1ccccc1)C,non-mutagenic
+[O-][N+](=O)c1c(C)cc(c2c1nsn2)C,mutagenic
+Clc1ccc(c(c1)N)Cl,non-mutagenic
+[O-][N+](=O)c1ccccc1/C=C/c1ccccn1,mutagenic
+Oc1ccc2c(c1)c1c(cc2)ccc2c1nc(n2C)C,mutagenic
+CCOc1ccccc1OCC1CNCCO1,non-mutagenic
+CCC/C=C/C(=O)OC1C(C)(C)CC2C1(O)C=C(C=O)C13C2(C1)C(=O)OC3O,mutagenic
+COc1cc2O[C@@H]3[C@H](c2c2c1c1CC[C@@H](c1c(=O)o2)O)C=CO3,mutagenic
+c1ccc2c(c1)Cc1c(C2)c2ccccc2c2c1cccc2,mutagenic
+OCC12COC(N2C(OC1)c1ccc(cc1)[N+](=O)[O-])c1ccc(cc1)[N+](=O)[O-],mutagenic
+CCN([N+](=O)[O-])CCO[N+](=O)[O-],mutagenic
+OC(=O)CC[C@@H](C(=O)O)NC(=O)c1cc(Cl)c(c(c1)Cl)N(Cc1cnc2c(n1)c(N)nc(n2)N)C,non-mutagenic
+Nc1cc(cc(c1O)Cl)[N+](=O)[O-],mutagenic
+Oc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)c(c(c1)C)O,mutagenic
+Cc1cccc2c1cc1ccc3c(c1c2)cccc3,mutagenic
+Cc1cc2CCCc2c2c1c1ccccc1cc2,non-mutagenic
+CON(C(=O)Nc1ccc(cc1)Br)C,non-mutagenic
+OC(COc1ccc(cc1C(=O)C)NC(=O)Nc1ccc(c(c1)C(=O)C)OCC(CNC(C)(C)C)O)CNC(C)(C)C,non-mutagenic
+[O-][N+](=O)c1ccc(c(c1)Cl)N,mutagenic
+Cn1c2ccc3c(c2c2c1ccc1c2cccc1)cccc3,mutagenic
+Clc1cnc2c(c1)cccc2,non-mutagenic
+COP(=S)(Oc1ccc(cc1)[N+](=O)[O-])OC,mutagenic
+C1CCC2C(C1)CC1(CC2)CO1,non-mutagenic
+Oc1ccc(cc1)C1Oc2c3C1C(=O)N1CCCCNCCCNC(c(c3)cc2)CC(=O)NCCC1,mutagenic
+Oc1nnc(c(n1)O)C,non-mutagenic
+Clc1ccc(c(c1)Cl)COC(=O)c1cccc2c1nccc2,non-mutagenic
+OCC(C(C(C(C=O)O)O)O)O,non-mutagenic
+Oc1cc2ccccc2c2c1cccc2,mutagenic
+NCC1(C)CC(N)CC(C1)(C)C,non-mutagenic
+OC(=O)CCCCCCCCC(=O)O,non-mutagenic
+Nc1ccc(c(c1)N)O,mutagenic
+O=NN(C(C(=O)O)C(=O)O)CC1(O)CCC(C(C1O)O)O,non-mutagenic
+OC1c2ccccc2-c2c(C1O)c(Br)c1c(c2)cccc1,non-mutagenic
+CN(CCNC(=O)c1ccc2c(c1)c(N)c1c(n2)cccc1)C,non-mutagenic
+Cc1ccc2c(c1)nc([nH]2)N,mutagenic
+Oc1ncc(cc1N)c1ccncc1,non-mutagenic
+ClC1=C(Cl)[C@@]2(C([C@@]1(Cl)[C@@H]1[C@H]2[C@H]2C[C@@H]1C=C2)(Cl)Cl)Cl,non-mutagenic
+[O-][N+](=O)OCCN([N+](=O)[O-])C,mutagenic
+BrCc1c2ccccc2c(c2c1c1ccccc1cc2)C,mutagenic
+Cc1ccc(c2c1ccc1c2cccc1)C,mutagenic
+C1CCc2c(C1)ccc1c2cc2c(n1)ccc1c2cccc1,mutagenic
+CC(=O)[C@H](C(=O)Nc1ccccc1)N=Nc1ccc(cc1Cl)c1ccc(c(c1)Cl)N=N[C@@H](C(=O)Nc1ccccc1)C(=O)C,non-mutagenic
+CNC(=O)N(c1nc2c(s1)cccc2)C,non-mutagenic
+COC1=CC=CC=CC1,mutagenic
+CC(N1C(=O)c2ccccc2NS1(=O)=O)C,non-mutagenic
+CC(c1ccccc1)CN=N#N,mutagenic
+ClCCN(P(=O)(O)N)CCCl,mutagenic
+O=C1Nc2c3c1cc1OCOc1c3c1c(c2)cccc1,mutagenic
+CN(CCCNc1c2ccccc2nc2c1ccc(c2)[N+](=O)[O-])C,mutagenic
+CCc1cccc2c1[nH]c1c2CCOC1(C)CC,non-mutagenic
+O=Cc1ccccc1C,non-mutagenic
+Oc1ccc2c(c1)oc(=O)cc2C,non-mutagenic
+CS(=O)(=O)C,non-mutagenic
+O=NN(C(=O)Oc1cccc2c1cccc2)C,mutagenic
+O=C1c2c(ccc(c2[N+](=O)[O-])C)C(=O)c2c1cccc2[N+](=O)[O-],mutagenic
+CCn1nc(C(=O)O)c(=O)c2c1cc1OCOc1c2,mutagenic
+Oc1ccc(cc1)c1ccc(cc1C)N,mutagenic
+Clc1ccc(cc1)COC(=O)c1cccc2c1nccc2,non-mutagenic
+ClCc1c2ccccc2c(c2c1cccc2)C,mutagenic
+OC(=O)[C@]1(C)CCC[C@@]2(C1CC[C@]13C2CC[C@@](C3)(C(=O)C1)C)C,non-mutagenic
+c1ccc2-c3c4c(-c2c1)c1ccccc1cc4c1c(c3)cccc1,mutagenic
+CC(=O)Nc1cccc(c1C)N=[N+](c1cccc(c1C)NC(=O)C)[O-],non-mutagenic
+Cc1ccc(cc1)/C=C/c1ccc(cc1)N,mutagenic
+[O-][N+](=O)c1ccc(c(c1)C)[N+](=O)[O-],mutagenic
+Clc1ccc(cc1)S(=O)(=O)c1cc(Cl)c(cc1Cl)Cl,non-mutagenic
+[O-][N+](=O)c1ccc2c(c1)nc1c(n2)ccc(c1)[N+](=O)[O-],mutagenic
+ClC#N,non-mutagenic
+c1ccc2c(c1)cc1c(c2)c2ccc3c(c2cc1)cccc3,non-mutagenic
+ClCSP(=S)(OCC(C)C)OCC(C)C,non-mutagenic
+[O-][N+](=O)c1oc2c(c1)cc1c3c2ccc2c3c(cc1)ccc2,mutagenic
+CN(P(=O)(N(C)C)N(C)C)C,non-mutagenic
+OC1C=Cc2c(C1O)c1ccc3c4c1c(c2)ccc4ccc3[N+](=O)[O-],mutagenic
+Oc1ccc2c(c1)c1ccc3c4c1c(c2)ccc4ccc3,mutagenic
+CC(=O)/C=C/c1ccco1,non-mutagenic
+CNC(=S)N(C)C,non-mutagenic
+Clc1ccc(cc1)OCCO/C(=C(\n1cncc1)/C)/c1ccc(cc1Cl)Cl,non-mutagenic
+OC1C=Cc2c(C1O)ccc1c2nc2cc(C)ccc2c1C,mutagenic
+O=C(c1ccccc1C(=O)OC1CCCCC1)OC1CCCCC1,non-mutagenic
+O=C(C1OC1c1ccccc1)c1ccc(cc1)c1ccccc1,non-mutagenic
+[O-][N+](=O)c1ccc2c(c1)c1ccccc1n2C,mutagenic
+OCC1OC(C(C1O)O)n1cnc2c1nc(O)nc2N,non-mutagenic
+Cc1ccc2c(c1)nccc2,mutagenic
+OC(=O)Cc1ccc(cc1)[N+](=O)[O-],mutagenic
+OC(CC(CC(=O)O)O)CCn1c(C(C)C)c(c(c1c1ccc(cc1)F)c1ccccc1)C(=O)Nc1ccccc1,non-mutagenic
+CC(=O)Nc1ccc(cc1)/C=N/n1nnc2-c(c1O)ncc2,mutagenic
+O[C@@H](COc1ccc(cc1C(=O)C)NC(=O)N)CNC(C)(C)C,mutagenic
+O=NN(C1OCC(C(C1O)O)O)c1ccc(cc1)C(=O)O,mutagenic
+CCOP(=O)(Oc1cc(C)ccc1[N+](=O)[O-])NC(CC)C,non-mutagenic
+NCCc1cc(O)c(cc1O)O,mutagenic
+OC(=O)COc1ccccc1,non-mutagenic
+CC(=O)OCC=C,mutagenic
+[O-][N+](=O)c1ccccc1Br,mutagenic
+CCSC(=O)N1CCCCCC1,non-mutagenic
+COC(=C1C(=NC(=C(C1c1ccccc1[N+](=O)[O-])C(=O)OC)C)C)O,non-mutagenic
+OCC1OC(CC1O)n1cnc2c1nc(nc2N)c1ccc(cc1)[N+](=O)[O-],mutagenic
+ClCc1ccc(cc1)C#N,non-mutagenic
+ClCCOP(OCCCl)OCCCl,mutagenic
+CN(c1ccc(cc1)C(=O)c1ccc(cc1)N(C)C)C,mutagenic
+Oc1ccc(cc1)/C=N/n1nnc2-c(c1O)nc1c2cccc1,mutagenic
+Oc1c2cc(N)c(cc2cc(c1N=Nc1ccc(c2c1cc(cc2)S(=O)(=O)O)N=Nc1ccc(cc1)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O,non-mutagenic
+CCS(=O)CCSP(=O)(OC)OC,mutagenic
+COP(=S)(SCC(=O)N(C=O)C)OC,non-mutagenic
+Oc1ccc(cc1)c1cc(=O)c2c(o1)cc(cc2O)O,non-mutagenic
+[O-][N+](=O)c1ccc(c(c1)C(=O)O)C,mutagenic
+OC1C=Cc2c(C1O)cc1c(c2)cc(cc1)[N+](=O)[O-],mutagenic
+COP(=S)(Oc1ccc(c(c1)C)N)OC,mutagenic
+[O-][N+](=O)[CH-]C,non-mutagenic
+O=C(OC(C)(C)C)/C=C/c1ccc(o1)[N+](=O)[O-],mutagenic
+COc1ccc(cc1)C=O,non-mutagenic
+c1cc2ccc3c4c2c(n1)ccc4ccc3,mutagenic
+Cl/C=C(/c1cc(Cl)c(cc1Cl)Cl)\OP(=O)(OC)OC,non-mutagenic
+Cc1cnc2c(c1)cccc2,mutagenic
+COc1cc(N=Nc2ccccc2)ccc1N,mutagenic
+[O-][N+](=O)c1c(C)ccc2c1cccc2,mutagenic
+OCC([N+](=O)[O-])(CO)Br,non-mutagenic
+OC(=O)/C=C/c1ccc(o1)[N+](=O)[O-],mutagenic
+CCc1ccccc1O,non-mutagenic
+OCC(=O)Nc1c(CC)cccc1CC,mutagenic
+c1ccc2c(c1)c(OCC1CO1)ns2,mutagenic
+CSCC[C@H]1NC(=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](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC1=O)CC(=O)O)CCCN=C(N)N)[C@H](CC)C)C)CCC(=O)N)CO)CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)Cc1ccc(cc1)O)CCCN=C(N)N)Cc1ccccc1)CO)CC(=O)N)NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CO)N)CC(C)C)CCCN=C(N)N)CCCN=C(N)N)CO)CO,non-mutagenic
+C1CCO1,mutagenic
+CCN(CCNc1ccc(c2c1c(=O)c1c(s2)cccc1)COC(=O)c1ccco1)CC,mutagenic
+ClCC(=C)Cl,mutagenic
+COCC1CN(C)C2C(=C1)c1cccc3c1c(C2)cn3C,mutagenic
+CN(CC[C@@H](N(C)C)C)C,non-mutagenic
+O=C(Nc1cc(Cl)cc(c1)Cl)CCC(=O)O,non-mutagenic
+CN(/C=N/c1ccc(cc1C)Cl)C,non-mutagenic
+O=Nc1cccc(c1C)[N+](=O)[O-],non-mutagenic
+[O-][N+](=O)c1cc(ccc1N)c1ccc(c(c1)[N+](=O)[O-])N,mutagenic
+COC(=O)C1c2cc3c(c(c2C(CC1(O)CC)OC1OC(C)C(C(C1)N(C)C)OC1CC(O)C(C(O1)C)OC1CCC(=O)C(O1)C)O)C(=O)c1c(C3=O)cccc1O,mutagenic
+Nc1[nH]nc(n1)N,non-mutagenic
+Nc1ccc2c(c1)nc1c(c2)cccc1,mutagenic
+CCn1cc(C(=O)O)c(=O)c2c1cc1OCOc1c2,mutagenic
+Oc1n(/N=C/c2ccc(cc2)c2ccccc2)nnc2-c1nc1c2cccc1,non-mutagenic
+CCCCCCCCCC,non-mutagenic
+CN(CCCNc1c2ccccc2nc2c1cc(cc2)[N+](=O)[O-])C,mutagenic
+NCCC[C@H](Nc1cc(OC)cc2c1nccc2)C,mutagenic
+O=C1CN(CCN2CC(=O)N(C(=O)C2)CN2CCOCC2)CC(=O)N1CN1CCOCC1,mutagenic
+BrC1C(Cl)C(Br)C(C(C1Br)Br)Br,non-mutagenic
+NCCNCCNCCNCCNCCN,mutagenic
+O=C1CCCCCO1,non-mutagenic
+Oc1cccc(c1)Cl,non-mutagenic
+Cc1c2C3OC3c3c(-c2c(c2c1cccc2)C)cccc3,mutagenic
+O=Nc1cc2OCOc2cc1O,mutagenic
+NC(=S)Nc1ccccc1,non-mutagenic
+NCc1cccc(c1)CN,non-mutagenic
+NCc1ccc(cc1)CN,non-mutagenic
+CCCCC/C(=C/c1ccccc1)/C=O,non-mutagenic
+OCCN(CC(=O)O)N=O,mutagenic
+Fc1cccc2c1ccc1-c3c4c(-c21)cccc4ccc3,mutagenic
+CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C,non-mutagenic
+OCCNC(=O)CSc1nc(Cl)cc(n1)Nc1c(C)cccc1C,non-mutagenic
+C=CCc1ccc(c(c1)O)O,mutagenic
+ClCC(=O)OC(C)C,non-mutagenic
+Clc1ccc2c(c1)nc([nH]2)C,mutagenic
+Oc1ccccc1,non-mutagenic
+CC[C@H]([N+](=O)[O-])[C@H](O)C,non-mutagenic
+OCC(CBr)(CBr)CO,mutagenic
+Nc1nc2c(s1)cc(cc2)[N+](=O)[O-],mutagenic
+CCS(=O)(=O)CCn1c(C)ncc1[N+](=O)[O-],mutagenic
+NCC(C(=O)NC1CC(N)C(C(C1OC1CCC(C(C1O)NC)(C)O)O)OC1CC(CN)C(C(C1O)O)O)O,non-mutagenic
+[O-][N+](=O)c1cc(ccc1c1ccc(cc1)[N+](=O)[O-])[N+](=O)[O-],mutagenic
+[O-][N+](=Nc1ccc(c(c1)N)C)c1ccc(c(c1)N)C,mutagenic
+OCc1ccc(cc1)C#N,non-mutagenic
+CCc1ccc(nc1)C,non-mutagenic
+[O-][N+](=O)c1ccc(cc1)/C=N/c1snc2c1cccc2,mutagenic
+[O-][N+](=O)c1cc2cc(ccc2c2c1cccc2)[N+](=O)[O-],mutagenic
+COc1c2C(=O)c3ccccc3C(=O)c2cc(c1C=O)O,non-mutagenic
+[O-][N+](=O)/C=C/c1ccccc1,mutagenic
+CC(=C)[C@@H]1CC=C(C(=O)C1)C,non-mutagenic
+CC/C(=C(\c1ccc(cc1)OP(=O)(O)O)/CC)/c1ccc(cc1)OP(=O)(O)O,non-mutagenic
+OCc1c2ccc3c(c2c(c2c1cccc2)C)cccc3,mutagenic
+Fc1cnc2c(c1)ccc1c2cccc1,non-mutagenic
+[O-][N+](=O)c1ccc(o1)/C=C/C(=O)OCC,mutagenic
+CC(=O)Nc1nc2c(n1C)c(C)cc1c2cccn1,mutagenic
+ClCC(CCl)O,mutagenic
+NC1CCN(C1)c1nc2n(cc(c(=O)c2cc1F)C(=O)O)c1ccc(cc1F)F,mutagenic
+CCCCCCCCCC(=O)OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F,non-mutagenic
+CCCC(=O)Cl,mutagenic
+COc1c2N(C)C3C(c2cc(c1OC)Cl)(O)C(C12N3C(=O)C(C)(SS1)N(C2=O)C)O,non-mutagenic
+CCCCC(COC(=O)COc1ccc(cc1Cl)Cl)CC,non-mutagenic
+Nc1nnc(s1)S,non-mutagenic
+[O-][N+](=O)c1ccc(cc1C(C)(C)C)c1ccccc1,non-mutagenic
+Nc1c(C)n(n(c1=O)c1ccccc1)C,non-mutagenic
+OC(C(Cl)(Cl)Cl)O,mutagenic
+COc1ccc2c(c1)c(CCNC(=O)C)c[nH]2,non-mutagenic
+O=NN(CC(=O)C)CC(=O)C,mutagenic
+[O-][N+](=O)c1ccc(cc1)CN1C2C1c1ccccc1-c1c2cccc1,mutagenic
+ClCC(=O)Nc1snc2c1cc(Cl)cc2,mutagenic
+Cn1ccnc1S,non-mutagenic
+OCCc1c[nH]c2c1ccc(c2)[N+](=O)[O-],mutagenic
+OCC#CCO,non-mutagenic
+OC(=O)CCc1ccccc1,non-mutagenic
+O=Nc1ccc2c3c1ccc1c3c(cc2)ccc1,mutagenic
+OC1C(O)C(O)COC1(O)CNc1ccc(cc1)C,non-mutagenic
+CN(N=O)CC,mutagenic
+CC(COC(=O)CCCCC(=O)OCC(C)C)C,non-mutagenic
+Oc1nc(O)nc(c1)C(=O)O,non-mutagenic
+C(COC[C@@H]1OC1)CCOC[C@@H]1OC1,mutagenic
+COc1nsc2c1cc(OCC1CO1)cc2,mutagenic
+CCN=[N+](CC)[O-],non-mutagenic
+CCCC(=O)Nc1snc2c1cc(Cl)cc2,non-mutagenic
+Clc1cccc(c1)C(F)(F)F,non-mutagenic
+Nc1cc(C(C)C)c(c(c1)[N+](=O)[O-])N,non-mutagenic
+ClC(=O)c1cccc(c1)[N+](=O)[O-],mutagenic
+C=CCc1cc(OC)c2c(c1)OCO2,non-mutagenic
+Nc1ccccc1SCSc1ccccc1N,mutagenic
+O=NN(c1ccccn1)C,mutagenic
+Nc1ccc2c(-c3ccccc3C2)c1,mutagenic
+NCCCNCCCCN(N(N=O)O)CCCN,mutagenic
+[O-][N+](=O)c1ccc(cc1)/C=C/c1ccccc1,mutagenic
+ClC=C(C)C,mutagenic
+CC(=O)OCc1ccccc1N=Nc1ccc(cc1)N(C)C,mutagenic
+CCOCOCC,non-mutagenic
+OC[C@H]1O[C@@H](O[C@H]2CC[C@]3(C(=CC[C@H]4[C@H]3CC[C@]3([C@H]4C[C@@H]4[C@@H]3[C@H](C)[C@H]3N4C[C@@H](CC3)C)C)C2)C)[C@@H]([C@H]([C@@H]1O[C@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O[C@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O)O)O)O,non-mutagenic
+C/C=C/C[C@H]([C@H]([C@H]1C(=O)N[C@@H](CC)C(=O)N(C)CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N1C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)O)C,non-mutagenic
+c1ccc(cc1)OP(Oc1ccccc1)Oc1ccccc1,non-mutagenic
+CCCCCCCCCCCCOC(=O)CCSCCC(=O)OCCCCCCCCCCCC,non-mutagenic
+CC(=O)OC(c1ccc(o1)[N+](=O)[O-])OC(=O)C,mutagenic
+OCCN(C(C)(C)C)CCO,non-mutagenic
+BrCC1=C(Br)C(=O)OC1O,mutagenic
+COc1ccc(cc1)C(=O)ON(C(=O)c1ccccc1)OCc1ccccc1,mutagenic
+CCCC(c1cc(c(cc1C)O)C(C)(C)C)c1cc(c(cc1C)O)C(C)(C)C,non-mutagenic
+CCc1c2ccc3c(c2cc2c1cccc2)C1OC1C(C3O)O,mutagenic
+CCC1(C(=O)NCNC1=O)c1ccccc1,mutagenic
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)c2c([n+]1[O-])cccc2,mutagenic
+OC(=O)C1N2C(=O)CC2S(=O)(=O)C1(C)Cn1ccnn1,non-mutagenic
+O=NN1CCC[C@@H](C1)C,mutagenic
+CSCCC(C(=O)NC(C(=O)NC(C(=O)N)Cc1ccccc1)CC(=O)O)NC(=O)C(Cc1c[nH]c2c1cccc2)N,non-mutagenic
+CCOC(C)(C)C,non-mutagenic
+OCCN(c1nc(nc2c1cccc2)c1ccc(s1)[N+](=O)[O-])CCO,mutagenic
+ClC(=O)Cc1ccccc1,mutagenic
+CCC1(OCCc2c1[nH]c1c2cccc1C(O)C)CC(=O)O,non-mutagenic
+BrCC(=O)c1ccccc1,non-mutagenic
+Cc1ccc2c(c1)c(ccc2)[N+](=O)[O-],mutagenic
+ONc1ccccc1C,mutagenic
+COc1cc(/C=C/C(=O)O)ccc1O,non-mutagenic
+O=C1NC(=O)CN(C1)CC(N1CC(=O)NC(=O)C1)C,non-mutagenic
+Oc1cc2OC(Cc2c2c1c(=O)c1c(n2C)cccc1)C1(C)CO1,mutagenic
+O=C1C=C2c3c(C1=O)cccc3-c1c2cc2ccccc2c1,mutagenic
+C#CC1(O)CCC2C1(C)CCC1C2CCc2c1ccc(c2)O,non-mutagenic
+CCC(C)(C)C,non-mutagenic
+c1ccc2c(c1)c1ccc3c(c1cc2)ccc1c3cccc1,mutagenic
+[O-][N+](=O)c1cc2c(cccc2c2c1cccc2[N+](=O)[O-])[N+](=O)[O-],mutagenic
+OC[C@H](CN(C[C@H](O)C)N=O)O,mutagenic
+CC(COC(=O)c1ccccc1N)C,non-mutagenic
+COc1cccc(c1)C(=O)ON(C(=O)c1ccccc1)OCc1ccccc1,mutagenic
+CC1CCC2C(C3(C1C=CC3=O)C)OC(=O)C2=C,non-mutagenic
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)c2c(c1)cccc2,mutagenic
+OC1C2OC2c2c(C1O)ccc1c2c(C)c(C)c2c1cccc2,mutagenic
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(c3c2cccc3)c(cc1)[N+](=O)[O-],mutagenic
+COC(=O)C(Cc1ccc(cc1)Cl)N,non-mutagenic
+c1ccc2-c3c([C@@H]4[C@H](c2c1)N4)c1ccccc1c1c3cccc1,mutagenic
+OCc1c(OC)cc2c(c1OC)C(=O)c1c(C2=O)cccc1,non-mutagenic
+Oc1ccc2c(c1)c1c(cc2)ccc2c1n(C)c(n2)C,mutagenic
+COc1ccc2c(c1)ccc(c2)CCC(=O)C,non-mutagenic
+CC(COS(=O)(=O)C)C,mutagenic
+[O-][N+](=O)c1cc(ccc1[N+](=O)[O-])C(=O)O,mutagenic
+CC(=O)N[C@H](C(=O)O)CS/C(=C(/C(=C(Cl)Cl)Cl)\Cl)/Cl,mutagenic
+Cc1ccc2c3c1ccc1c3c(cc2)ccc1,mutagenic
+CN([N+](=O)[O-])C,mutagenic
+Nc1ccc(cc1Cl)Cc1ccc(c(c1)Cl)N,mutagenic
+OC1C2OC2c2c(C1O)ccc1c2ccc2c1cc(cc2)O,mutagenic
+CCCCN(CC(OCc1ccccc1)CO)N=O,mutagenic
+Cc1ccc(cc1)NC(=O)c1csc(c1)[N+](=O)[O-],mutagenic
+O[C@@H]1C=Cc2c([C@H]1O)ccc1c2ccc2c1cccc2,mutagenic
+OC1=C(O)C(=O)C1=O,non-mutagenic
+ClCCN(c1ccc(cc1)CCCC(=O)O[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CCC(=O)N2)CCCl,mutagenic
+CC(=[N+]([O-])[O-])C,mutagenic
+Cc1ccc(cc1)S(=O)(=O)N1C2C1c1ccccc1-c1c2cccc1,mutagenic
+ONc1cc[n+](c2c1cccc2)[O-],mutagenic
+CC1=CC(=O)c2c(C1=O)c1-c(c([nH]2)C)c2c(n1)cccc2,mutagenic
+[O-][N+](=O)c1ccc2c(c1)c1c(cc2)cccc1[N+](=O)[O-],mutagenic
+CCOC(=O)C(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)O,non-mutagenic
+[O-][N+](=O)c1cccc2c1nsc2C(C(=O)OCC)C#N,mutagenic
+OC(=O)C(NC(=O)COc1cc(Cl)c(cc1Cl)Cl)CC(=O)O,non-mutagenic
+ClCCN(CCCNc1c2ccccc2nc2c1ccc1c2cccc1)CC,mutagenic
+N#Cc1c(Cl)cccc1Cl,non-mutagenic
+[O-][N+](=O)c1cc2cccc3c2c2c1cccc2cc3,mutagenic
+O=NN1CCC[C@@H](C1)Cl,mutagenic
+Cn1c(N)nc2c1cc1ccccc1c2,mutagenic
+CC(=O)Nc1ccc2-c3c(-c4c2c1ccc4)ccc(c3)O,mutagenic
+CC(OC(=O)CC(=O)OC(C)C)C,non-mutagenic
+Oc1ncnc(c1)O,non-mutagenic
+Cc1ccccc1N=Nc1ccc(c(c1N)C)N,mutagenic
+NS(=O)(=O)c1cccc2c1nccc2,non-mutagenic
+OCc1ccc(cc1)C(F)(F)F,non-mutagenic
+Clc1cc(Cl)c(c(c1)Cl)Cl,non-mutagenic
+Sc1[nH]cnc2-c1ncn2,mutagenic
+OC1C2OC2c2c(C1O)ccc1c2c(C)cc2c1cccc2C,mutagenic
+Ic1cccc(c1)[N+](=O)[O-],non-mutagenic
+COC(=O)c1ccc(cc1)C(=O)OC,non-mutagenic
+NNc1nncc2c1cccn2,mutagenic
+O=C1c2cc(ccc2N=C1c1[nH]c2c(c1O)cc(cc2)S(=O)(=O)O)S(=O)(=O)O,non-mutagenic
+NNc1ccccc1[N+](=O)[O-],mutagenic
+Cc1c(N)cccc1Cl,non-mutagenic
+CCCC(=O)C,non-mutagenic
+OCc1ccc2c(c1)c(C)c1c(n2)c2ccccc2cc1,mutagenic
+CC(=C)C1CCC2(C(C1)O2)C,non-mutagenic
+O=C(NCc1ccccc1)CCNNC(=O)c1ccncc1,mutagenic
+[O-][N+](=O)c1cc([N+](=O)[O-])c2c3c1c1ccccc1c1c3c(cc2)ccc1,mutagenic
+C/C=C/c1ccc2c(c1)OCO2,non-mutagenic
+c1ccc2c(-c3cc4C5NC5c5c(-c4cc3C3C2N3)cccc5)c1,mutagenic
+CC1=CC[C@H]2C[C@@H]1C2(C)C,non-mutagenic
+OC1C=Cc2c(C1O)c1cccnc1cc2,non-mutagenic
+Clc1cc(Cl)cc(c1[N+](=O)[O-])Cl,non-mutagenic
+O1CCOC2CCCCC2OCCOCCOC2C(OCC1)CCCC2,non-mutagenic
+CN1CCN=N1,mutagenic
+COCCCN,non-mutagenic
+Clc1ccc2c(n1)cccc2,non-mutagenic
+OC1C=CC2=C(C1O)c1cccc3c1c2ccc3,mutagenic
+CCCC(=O)Nc1snc2c1cccc2,non-mutagenic
+CC1=CC[C@H](CC1)C(=C)C,non-mutagenic
+O=C(C(=O)c1ccccc1)c1ccccc1,non-mutagenic
+Nc1cccc2-c3c4c(-c12)cccc4ccc3,mutagenic
+CC(=O)ON(C(=O)c1ccccc1)OCc1ccc(cc1)Cl,mutagenic
+OC(=O)COc1ccc2c(c1)cccc2,non-mutagenic
+C=COC(=O)C=C,non-mutagenic
+C1CCc2c(C1)cccc2,non-mutagenic
+C/C(=C\C=C\C=C(\C=C\C=C(\C=C\C1=C(C)CCCC1(C)C)/C)/C)/C=C/C=C(/C=C/C1=C(C)CCCC1(C)C)\C,mutagenic
+CCCCCCCCCCCCCN1CC(C)OC(C1)C,non-mutagenic
+Nc1ccc2c(c1)nccc2,mutagenic
+[O-][N+](=O)c1ccc(o1)/C(=N/O)/N,mutagenic
+c1cc2ccc3c4c2c(c1)c1cccc2c1c4c(cc3)cc2,mutagenic
+BrCc1ccc2-c3c4c(-c2c1)cccc4ccc3,mutagenic
+CCCBr,non-mutagenic
+O=C1NCCN1c1ncc(s1)[N+](=O)[O-],mutagenic
+Oc1ccc2c(c1N=Nc1ccc(cc1)S(=O)(=O)O)cccc2,non-mutagenic
+CCCC[C@H](COC(=O)c1ccccc1C(=O)OC[C@@H](CCCC)CC)CC,non-mutagenic
+NCCO,non-mutagenic
+CCCCCCCCCCCCCCCCN,non-mutagenic
+ONc1ccccc1c1ccccc1,mutagenic
+COc1cc2nc3cc(N)ccc3nc2cc1N,mutagenic
+Cc1cc2ccc3c4c2c(c1)ccc4cc1c3cccc1,mutagenic
+ONc1ncnc2c1ncn2Cc1ccccc1,mutagenic
+Nc1nc2c(s1)ccc1c2cccn1,mutagenic
+O=C(c1ccc(cc1)C(C)(C)C)ON(C(=O)c1ccccc1)OCc1ccccc1,mutagenic
+OC1C2OC2c2c(C1O)ccc1c2cc2ccc3c(c2n1)cccc3,non-mutagenic
+COc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1O)C,mutagenic
+CCCCCCOC(=O)c1ccccc1C(=O)OCCCCCC,non-mutagenic
+Cc1ccc2c(c1)c1ccc3c(c1cc2)cccc3,mutagenic
+OC1C2OC2c2c(C1O)ccc1c2nccc1,mutagenic
+OC/C(=C(\C(=O)O)/Cl)/C(Cl)Cl,mutagenic
+C1CN1c1nc(nc(n1)N1CC1)N1CC1,mutagenic
+O=C(N(c1ccccc1)C)c1csc(c1)[N+](=O)[O-],mutagenic
+CCCCCCC(=O)O,non-mutagenic
+[O-][N+](=O)c1cc(ccc1N=Nc1c(O)ccc2c1cccc2)[N+](=O)[O-],mutagenic
+OC1=C(O)c2nc3c(cc2C24C1(CCCC4)O2)ccc1c3cccc1,non-mutagenic
+OC1c2ccccc2Oc2c1cccc2,mutagenic
+CCN(c1ccc(c(c1)O)N=O)CC,non-mutagenic
+COc1nsc2c1cccc2[N+](=O)[O-],mutagenic
+CN1CCC=C2C1CCc1c2nc(s1)N,mutagenic
+C[C@]1(N)CC[C@H](CC1)C(N)(C)C,non-mutagenic
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)cc2c1C=CCC2,mutagenic
+CC(CCCCCCCOC(=O)C(=C)C)C,non-mutagenic
+CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1,non-mutagenic
+[O-][N+](=O)c1ccc(c(c1)N)O,mutagenic
+CN(CCNC(=O)c1cccc2c1cc1ccccc1n2)C,mutagenic
+NC=O,non-mutagenic
+CCN(c1ccc(cc1)N=Nc1ccc(cc1Cl)[N+](=O)[O-])CC,mutagenic
+OC(=O)C1(N)CCCC1,non-mutagenic
+c1ccc2c(c1)cc1-c3cccc4c3c(-c1c2)ccc4,mutagenic
+O=c1c2cccc3c2c2c1cccc2cc3,mutagenic
+[O-][N+](=O)c1ccc2c(c1)NCC2,mutagenic
+COc1ccc(cc1)/C=N/n1nnc2-c(c1O)nc1c2cccc1,mutagenic
+C1CCCO1,non-mutagenic
+C=C1C(=O)OC2CCN3C2C(=CC3)COC(=O)C(C(C1C)C)(C)O,non-mutagenic
+OCCN(c1ccc(c(c1)C)N=Nc1ccc(cc1)N)CCO,non-mutagenic
+BrCC(=O)c1ccc(cc1)Br,non-mutagenic
+CCCC(=O)Nc1snc2c1cc(C)cc2,non-mutagenic
+OCCCCCCC/C=C/C=C/C,non-mutagenic
+BrC(C(Br)(C)C)COP(=O)(OCC(C(Br)(C)C)Br)OCC(C(Br)(C)C)Br,non-mutagenic
+OC(=O)/C=C/C(=O)CC(=O)C,non-mutagenic
+CCc1cc(Cc2cc(C)c(c(c2)CC)N)cc(c1N)C,non-mutagenic
+C=CCC1=C(C)[C@@H](CC1=O)OC(=O)[C@H]1[C@@H](C1(C)C)C=C(C)C,mutagenic
+Clc1ccccc1Cl,non-mutagenic
+O=C(N1CCCCC1)/C=C/C=C/c1ccc2c(c1)OCO2,non-mutagenic
+ClCC(=O)Nc1snc2c1cccc2,mutagenic
+ClCCN(C)C,mutagenic
+N#CCC#N,non-mutagenic
+[O-][N+](=O)c1ccc2-c3c(Cc2c1)cccc3O,mutagenic
+ON(C(=O)c1ccccc1)c1ccc2-c3c(Cc2c1)cccc3,mutagenic
+OCCOCCO,non-mutagenic
+CCCCNC(=O)NS(=O)(=O)c1ccc(cc1)C,non-mutagenic
+Fc1ccccc1,mutagenic
+CC12CCC(C2(C)C)CC1(C)O,non-mutagenic
+Cc1cnc2c(n1)c1nc(n(c1cc2)C)NS(=O)(=O)O,non-mutagenic
+C=CC(=O)OCCOCCOC(=O)C=C,non-mutagenic
+OCCCc1ccccc1,non-mutagenic
+OCc1ccc2-c3c(-c4c2c1ccc4)cccc3,non-mutagenic
+CCC(C1NC(=O)C(=C1O)C(=O)C)C,non-mutagenic
+Cc1cc2cccc3c2c2c1c1ccccc1cc2cc3,mutagenic
+CCCN(C(=O)SCC)CCC,non-mutagenic
+O=NN(C(=O)N)C,mutagenic
+C=CC(=O)N(C[C@@H]1OC1)C[C@@H]1OC1,mutagenic
+C[C@@H]1CNC[C@H](O1)C,mutagenic
+N#Cc1ccccc1,non-mutagenic
+Cc1ccc(cc1)c1nc2n(c1[N+](=O)[O-])CCS2,mutagenic
+[O-][N+](=O)c1ccc2c(c1)c1cccc(c1cc2[N+](=O)[O-])[N+](=O)[O-],mutagenic
+Nc1ccc(cc1)O,non-mutagenic
+ClCc1ccc(cc1)Cl,non-mutagenic
+CC(NC(=O)c1cccnc1)CNC(=O)c1cccnc1,non-mutagenic
+CC[C@@H](NCCN[C@@H](CO)CC)CO,non-mutagenic
+Nc1cc(N)c(cc1N=Nc1ccccc1C)C,mutagenic
+CCCCCCCCCCCCCCCCCC[N+](Cc1ccccc1)(C)C,non-mutagenic
+[O-][n+]1cccc(c1)C1CCC(=O)N1C,non-mutagenic
+NC(=N)C(N=NC(C(=N)N)(C)C)(C)C,mutagenic
+Clc1cnn(c(=O)c1Cl)C(=O)c1ccccc1,non-mutagenic
+O=C/C=C/C=C/c1ccc(cc1)[N+](=O)[O-],mutagenic
+[O-][N+](=O)c1ccc(c2c1cccc2)C,mutagenic
+C=CCc1ccc(c(c1)OC)OC,non-mutagenic
+[O-][N+](=O)c1ccc2c(c1)c(N)c1c(n2)cccc1,mutagenic
+c1ccc2-c3c(Cc2c1)cccc3,non-mutagenic
+COc1cc(OC)c2c(c1)c1c3OCOc3cc(c1c(c2)[N+](=O)[O-])C(=O)O,non-mutagenic
+Oc1nc(Cl)nc(n1)Cl,non-mutagenic
+C=C1C2CCC3C(C1O)(C2)CCC1C3(C)CCCC1(C)C(=O)O,non-mutagenic
+OC1COC(=C(C1=O)O)C,mutagenic
+Cc1ccc(c(c1)N)C,mutagenic
+Nc1ccc2c(c1)[o+]c1c(c2c2ccccc2C(=O)O)ccc(c1)N,non-mutagenic
+ClCCNCCCNc1c2ccccc2nc2c1cccc2,mutagenic
+Clc1cnn(c(=O)c1Cl)S(=O)(=O)c1ccccc1,non-mutagenic
+CSCC(C(=O)O)NC(=O)C(SC)(C)C,non-mutagenic
+O[C@H]1[C@H](O)C=Cc2c1ccc1c2cc2c3c1CCc3c(cc2)C,mutagenic
+COC1C(N)CC(OC1C)OC1CC(O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)c(OC)ccc2)C(=O)CO,mutagenic
+CC(=O)O[C@@H]1C(=O)[C@]2(C)[C@@H](O)C[C@@H]3[C@]([C@H]2[C@@H]([C@@]2(C(C1=C(C)[C@@H](OC(=O)[C@@H]([C@H](c1ccccc1)NC(=O)c1ccccc1)O)C2)(C)C)O)OC(=O)c1ccccc1)(CO3)OC(=O)C,non-mutagenic
+CC(Oc1ccc2c(c1)occ(c2=O)c1ccccc1)C,non-mutagenic
+CCC(OS(=O)(=O)C)C,mutagenic
+ClSC(Cl)(Cl)Cl,mutagenic
+n1ccc(cc1)c1ccccn1,mutagenic
+O=C(c1ccccc1)OOC(=O)c1ccccc1,non-mutagenic
+O=Cc1cccc(c1)[N+](=O)[O-],mutagenic
+Cc1ccc(cc1)C(C)(C)C,non-mutagenic
+O=C(Nc1n(C)nc(c1C(=O)c1ccccc1F)C)CNCCCN1CCCC[C@H]1C,mutagenic
+COc1c(OC)cc2c(-c3ccc(c(=O)cc3[C@@H](CC2)NC(=O)C)OC)c1OC,non-mutagenic
+COc1ccc2-c3c(OC)c(OC)cc4c3c(C(=O)c2c1)ncc4,mutagenic
+BrCC1CN(C)C2C(C1)c1cccc3c1c(C2)c[nH]3,mutagenic
+[O-][N+](=O)c1ccc2-c3c(-c4c2c1ccc4)cc1c(c3)cccc1,mutagenic
+N#N=Nc1ccc2c(c1)c(Nc1ccc(cc1OC)NS(=O)(=O)C)c1c(n2)cccc1,mutagenic
+C[C@H](c1cc2ccc3c4c2c(c1)ccc4ccc3)O,mutagenic
+OCCn1c(=O)n(CCO)c(=O)n(c1=O)CCO,non-mutagenic
+CC(=O)CCl,non-mutagenic
+O=C(Nc1ccc(c(c1)Cl)Cl)Nc1ccc(cc1)Cl,non-mutagenic
+Cc1cccc(c1)[N+](=O)[O-],non-mutagenic
+CN(CCC=C1c2ccccc2CCc2c1cccc2)C,non-mutagenic
+[O-][N+](=O)c1ccc2c(c1)nc1c(n2)c(ccc1)[N+](=O)[O-],mutagenic
+BrCC1=C(Br)C(=O)OC1,mutagenic
+ONc1cnc2c(c1)nc1n2cccc1,mutagenic
+Nc1scc(n1)c1ccc(o1)[N+](=O)[O-],mutagenic
+CC(C#N)C=C,non-mutagenic
+O=C1c2ccccc2C(=O)c2c1ccc(c2O)O,mutagenic
+O=C(N[C@H](C(=O)NCC(=O)O)CSC(=C(Cl)Cl)Cl)CC[C@@H](C(=O)O)N,mutagenic
+Nc1cccc2c1c1ccccc1cc2,non-mutagenic
+Oc1ccc(c2c1cccc2)N=Nc1ccc(cc1)S(=O)(=O)O,non-mutagenic
+CO[C@H]([C@@](C(O)(C)C)(C(=O)OCC1=CCN2[C@H]1[C@H](CC2)OC(=O)/C(=C\C)/C)O)C,mutagenic
+[O-][N+](=O)c1ccc2c3c1cccc3c1c3c2cccc3ccc1[N+](=O)[O-],mutagenic
+O=C(OC(C)(C)C)N/N=C/C1=CN(O)c2c(N1O)cccc2,mutagenic
+Cc1cc(Cc2cc(C)cc(c2O)C(C)(C)C)c(c(c1)C(C)(C)C)O,non-mutagenic
+O/N=C(/c1ccc(c(c1)O)O)\N,mutagenic
+O=C1c2ccccc2C(=O)c2c1ccc1c2nc2c(n1)c1c(cc2)c(O)c2c(c1O)cccc2,non-mutagenic
+CC(=O)Nc1ccc(c(c1)N)C,mutagenic
+c1cnc2c(c1)CCC1C2O1,non-mutagenic
+CCOP(=S)(OCC(C)C)SCCl,non-mutagenic
+OC(=O)CNCP(=O)(O)O,non-mutagenic
+C(C1OC1)Cc1ccccc1,mutagenic
+OC(=O)c1ccc(cc1)C,non-mutagenic
+NC1CC(OC(C1O)C)OC1CC(O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)c(O)ccc2)C(=O)C,mutagenic
+ClCCC(CBr)Br,non-mutagenic
+OCC1OC(OC23CCC4C(C2)(CC3=C)CCC2C4(C)CCCC2(C)C(=O)OC2OC(CO)C(C(C2O)O)O)C(C(C1O)O)OC1OC(C)C(C(C1O)O)O,non-mutagenic
+COC(=O)/C(=C/c1ccc(o1)Br)/[N+](=O)[O-],non-mutagenic
+CCOc1ccc(cc1)N=O,mutagenic
+O/N=C/C1N(CCN(C)C)C=CN1C,non-mutagenic
+ClC[C@@H](CBr)Cl,mutagenic
+CC(c1ccccc1)Br,non-mutagenic
+O=Cc1ccccc1Cl,non-mutagenic
+CCCCCCCCCCCCN(N=O)C,mutagenic
+CCCCCCC(COc1ccc(cc1)c1ccc(cc1)c1ccc(cc1)c1ccc(cc1)OCC(CCCCCC)CCCC)CCCC,non-mutagenic
+Nc1ccc(c(c1)[N+](=O)[O-])C,mutagenic
+ClC[C@H]1CO1,mutagenic
+CCN(c1ccc2c(c1)oc1-c(c2c2ccccc2C(=O)O)ccc(=[N+](CC)CC)c1)CC,non-mutagenic
+COCC1OC(=O)N(C1)c1ccc2c(c1)sc(n2)C(CCC#N)O,non-mutagenic
+COC(=O)C(=C)Cl,mutagenic
+CNC(=O)ON(C(=O)NC)C(=O)NC,non-mutagenic
+COc1c2cc(OC)cc(c2c(c2c1cc(C)oc2=O)O)O,mutagenic
+ON1C(C)(C)CCCC1(C)C,non-mutagenic
+c1cnc2c(c1)c1CCC3C(c1cc2)O3,non-mutagenic
+Nc1ccc2c(c1)ccc1c2ccc2c1cccc2,mutagenic
+CCCCOCCO,non-mutagenic
+CCOC(=O)C(=NNc1ccc(cc1OC)c1ccc(c(c1)OC)NN=C(C(=O)OCC)C(=O)OCC)C(=O)OCC,non-mutagenic
+Oc1ccc2c(c1N=Nc1ccc3c(c1S(=O)(=O)O)cccc3)cccc2,non-mutagenic
+OC(=O)c1cccc2c1nccc2,non-mutagenic
+COc1ccc2c(c1OC)nc1c(c2OC)CCO1,mutagenic
+O=Cc1c(O)c(O)c(c2c1c(O)c(c(c2)C)c1c(C)cc2c(c1O)c(C=O)c(c(c2C(C)C)O)O)C(C)C,non-mutagenic
+CCN(c1ccc2c(c1)oc(=O)cc2C(F)(F)F)CC,non-mutagenic
+CC(=O)Nc1ccc2-c3c(-c4c2c1ccc4)cc(cc3)O,mutagenic
+Clc1ccc(cc1)c1nc2n(c1[N+](=O)[O-])CCS2,mutagenic
+Nc1scc(n1)c1ccc(s1)[N+](=O)[O-],mutagenic
+O=c1ccc2c(o1)cc1c(c2)cco1,non-mutagenic
+COC(=O)c1oc(c(c1Cl)Cl)[N+](=O)[O-],mutagenic
+Clc1ccc(cc1)/C=C/c1ccc(cc1)[N+](=O)[O-],mutagenic
+COC(=O)[C@@]12O[C@@]2(C)[C@@](OC1=O)(C)O,mutagenic
+CCCCN(N=O)CCCC,mutagenic
+COc1cc(O)c2c(c1OC)oc1c(c2=O)c(OC)cc2c1C1CCOC1O2,non-mutagenic
+COCCOC1(COCCOC(=O)CCCCCCC/C=C/CCCCCCCC)OCC(C1OCCOC)OCCOC,non-mutagenic
+CN(c1ccc(cc1)Cc1ccc(cc1)N(C)C)C,mutagenic
+[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])Br,mutagenic
+COc1cc(Oc2ccc(cc2Cl)Cl)cc(c1)[N+](=O)[O-],non-mutagenic
+Nc1ccccc1c1ccccc1,mutagenic
+CCc1ccc(cc1)C,non-mutagenic
+Oc1cccc2c1c(cc1c2c2c([nH]1)ccc1c2cccc1)[N+](=O)[O-],mutagenic
+Fc1ccc2c(c1)c1ncccc1cc2,mutagenic
+OC1C=Cc2c(C1O)ccc1c2ccc2c1CCC2,mutagenic
+[O-][N+](=O)c1cc(ccc1c1ccc(c(c1)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],mutagenic
+C#CCc1ccc(o1)COC(=O)[C@H]1[C@@H](C1(C)C)C=C(C)C,mutagenic
+N#N=NCC(Cn1cnc2c1nc(N)nc2Cl)O,mutagenic
+Oc1cc(O)c2c(n1)cccc2,mutagenic
+O=C(Nc1ccccc1)Nc1ccccc1,non-mutagenic
+Cc1ccc2c(c1)nc(n2C)N,mutagenic
+CCOC(=O)[C@@H]1O[C@H]1c1ccccc1,non-mutagenic
+OC(=O)CBr,mutagenic
+Clc1cc(cc(c1)Cl)NS(=O)(=O)c1cccc2c1nccc2,non-mutagenic
+OCCC#N,non-mutagenic
+[O-][N+](=O)c1ccc2c(c1)c1cccc(c1cc2)[N+](=O)[O-],mutagenic
+CN(C(=O)Cl)C,mutagenic
+ClCCN(c1ccc(cc1)c1[nH]c2c(n1)cc(cc2)c1nc2c([nH]1)ccc(c2)N1CCN(CC1)C)CCCl,non-mutagenic
+Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl,non-mutagenic
+CCn1cc(C(=O)O)c(=O)c2c1cc(N1CCN(CC1)C)c(c2)F,mutagenic
+[O-][n+]1ncc2c(c1)cccc2,non-mutagenic
+CCC(C(=O)NC(=O)N)(CC)Br,non-mutagenic
+CCOC(=O)CSc1ccc2-c3ccccc3C(=O)c3c2c1ccc3,mutagenic
+CC(=O)Nc1ccc(cc1)[C@H]1O[C@H]1C(=O)c1ccccc1,mutagenic
+OCCCN(N=O)CC,mutagenic
+Nc1ccn(c(=O)n1)CC(CN=N#N)O,mutagenic
+C=Cc1ccc(cc1)C,non-mutagenic
+O=CC1=C2CC(CC2C(C2(C1(C=O)C2)C)OC(=O)C)(C)C,non-mutagenic
+[O-][N+](=O)c1ccc2c(c1)ccc1c2ccc2c1cccc2,mutagenic
+Nc1ccc2c(c1)nc1c(n2)ccc(c1)N,mutagenic
+Cc1ccc2-c3c([C@H](c2c1)C)cccc3,mutagenic
+Nc1ccc(c(c1)[N+](=O)[O-])Cc1ccc(cc1[N+](=O)[O-])N,mutagenic
+COc1ccc2c(c1)c(CC(=O)O)c(n2C(=O)c1ccc(cc1)Cl)C,non-mutagenic
+[O-][N+](=O)c1ccc2-c3ccc(cc3CCc2c1)[N+](=O)[O-],mutagenic
+[O-][N+](=O)c1ccc2c(c1)c(Cn1cncc1)c(n2Cc1ccccc1)C,mutagenic
+O=C(c1csc(c1)[N+](=O)[O-])Nc1cccc(c1)[N+](=O)[O-],mutagenic
+OCCCBr,mutagenic
+CCCOC(=O)C(=C)C,non-mutagenic
+Oc1cccc2c1ccc1c2cc2c(n1)ccc1c2cccc1,non-mutagenic
+CCCC[C@H](COP(OC[C@@H](CCCC)CC)OC[C@@H](CCCC)CC)CC,non-mutagenic
+[O-][N+](=O)c1cc2CCc3c4c2c(c1)ccc4cc(c3)[N+](=O)[O-],mutagenic
+CCC(c1ccc(cc1)O)(C)C,non-mutagenic
+ClC(=C(Cl)Cl)Cl,non-mutagenic
+OC(=O)C(Cn1cncc1)N,mutagenic
+CC(c1ccc(cc1)OP(=O)(Oc1ccccc1)Oc1ccccc1)C,non-mutagenic
+c1ccc2c(c1)c1ccc3c4c1c(c2)C1OC1c4ccc3,mutagenic
+Cc1c2ccccc2cc2c1cccc2,mutagenic
+CCCCOC(=O)CCCCCCCCC(=O)OCCCC,non-mutagenic
+O=C(NC(C(=O)O)C)COc1ccc(cc1Cl)Cl,non-mutagenic
+C1Cc2ccc3c4c2c(C1)cc1c4c2c(c3)CCCc2cc1,mutagenic
+CCCCCCCC(=O)CCc1ccc(c(c1)OC)O,non-mutagenic
+[O-][N+](=O)c1cnc(s1)NC(=O)NCCCl,mutagenic
+CCCCOC(=O)c1ccccc1C(=O)OC1CCCCC1,non-mutagenic
+CCc1[nH]c2c(n1)c1c(cc2)ccc2c1cc(O)cc2,mutagenic
+ClC(=O)c1ccccc1C(=O)Cl,mutagenic
+CCc1cccc2c1nccc2,mutagenic
+O=C(N(C)C)Nc1ccc(c(c1)Cl)Cl,mutagenic non-mutagenic
+Nc1ccc(c(c1)Cl)C,mutagenic
+[O-][N+](=O)c1ccc2c3c1cccc3CC2,mutagenic
+Nc1ccc2c(c1)nc1c(c2)ccc(c1)N,mutagenic
+CC(=O)NC1=NC(=NOC1)c1ccc(o1)[N+](=O)[O-],mutagenic
+COc1c2cccc(c2nc2c1cco2)O,mutagenic
+OC1C=CC=CC1O,mutagenic
+Oc1ccc(cc1)C(c1ccccc1)(C)C,non-mutagenic
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)c2c(n1)cccc2,mutagenic
+Ic1cc(Cl)c2c(c1O)nccc2,non-mutagenic
+Fc1cccc(n1)F,non-mutagenic
+Oc1ccc2c(c1)[nH]c1c2ccnc1C,mutagenic
+Oc1ccc(c(c1)C)Cl,non-mutagenic
+CCCCN(CC(=O)CC)N=O,mutagenic
+Oc1ccc(cc1)c1ccc(cc1)O,non-mutagenic
+c1ccc(cc1)c1ccccc1OCC1CO1,mutagenic
+COc1c(C/C=C(/CCC(=O)O)\C)c(O)c2c(c1C)COC2=O,mutagenic non-mutagenic
+OCc1ccc(cc1)Br,non-mutagenic
+OCCN(c1ccc(cc1)N=Nc1cccnc1)CCO,non-mutagenic
+ClCCSCC(C(=O)NCC(=O)OC)NC(=O)CCC(C(=O)O)N,mutagenic
+Nc1ccc2c(c1)[n+](C)c1c(c2)ccc(c1)N,mutagenic
+Oc1ccc2c(c1)c1c(cc2)ccc2c1oc(n2)C,mutagenic
+[O-][N+](=O)c1ccc2c(c1)nc1c(n2)cc(cc1)[N+](=O)[O-],mutagenic
+O=Nc1ccc(cc1)Sc1ccccc1,mutagenic
+c1ccc2c(c1)cc1c(c2)cc2c(c1)cccc2,mutagenic
+OCC(CO)(CO)CO,non-mutagenic
+CC(=O)OC1C(OC2OC(C)C(C(C2O)OC(=O)C)O)C(OC(=O)C2CCC3C(C2)OC2(C43CO4)OCC(C(C2)OC(=O)/C=C/c2ccccc2)C)OC(C1O)C,non-mutagenic
+CC(CC(O)C)C,non-mutagenic
+Cc1cc(C)c(c(c1)C)CN1C2C1c1ccccc1-c1c2cccc1,mutagenic
+Cc1cc([N+](=O)[O-])c(c2c1n(C)c1c2cccc1)C,mutagenic
+COc1cc2c(cc1OC)nc1c(c2OC)cco1,mutagenic
+CCCOO,mutagenic
+COc1c(OCC2OC2(C)C)ccc2c1nc1occc1c2OC,non-mutagenic
+OCCCCN(N=O)C,mutagenic
+CN(CCNC(=O)c1cccn2c1nc1ccccc1c2=O)C,mutagenic
+[O-][N+](=O)c1cc2c(O)cccc2c2c1c(cc1c2OCO1)C(=O)O,mutagenic
+Cc1ccc(c(c1)O)C(C)C,non-mutagenic
+CN1CC(CC2C1Cc1c[nH]c3c1c2ccc3)C(=O)NC1(OC2(N(C1=O)C(Cc1ccccc1)C(=O)N1C2CCC1)O)C(C)C,non-mutagenic
+CNc1ccc(cc1)N=Nc1ccc2c(c1)scn2,mutagenic
+[O-][N+](=O)c1ccc(o1)/C=C/C(=O)OCCCCC,mutagenic
+NNc1nncc2c1cccc2,mutagenic
+ClCCOC(=O)C=C,mutagenic
+Cc1nccnc1C,non-mutagenic
+CNc1ccccc1N,mutagenic
+[O-][N+](=O)c1ccc2-c3ccc4c(c3CCc2c1)CCCC4,mutagenic
+BrCCOC(=O)C(CC(=O)OCCBr)(CC(=O)OCCBr)O,mutagenic
+ClCCN[P@]1(=O)OCCCN1CCCl,mutagenic
+CCOC(=O)CNC(=O)CBr,non-mutagenic
+Cc1c(C)cccc1O,non-mutagenic
+CC[C@@H](CN)O,non-mutagenic
+Clc1ccc(cc1)CC1OC1,mutagenic
+COC(=O)CC(=O)C,non-mutagenic
+CCN1CCN=N1,mutagenic
+N#[N+]c1cccc2c1C(=O)c1c(C2=O)cccc1,mutagenic
+c1ccc2-c3c4c(-c2c1)cc1cccc2c1c4c(cc3)C1C2O1,mutagenic
+OC(=O)CCCOc1ccc(cc1Cl)Cl,non-mutagenic
+CC(CCCC1(C)CCc2c(O1)c(C)c(c(c2C)O)C)CCCC(CCCC(C)C)C,non-mutagenic
+CC(=O)CCC1C2C1(C)CC1C(C2)C(=C)C(=O)O1,non-mutagenic
+CN(CCN(c1ccccn1)Cc1ccc(s1)Cl)C,non-mutagenic
+CC([N+](=O)[O-])(Cl)C,mutagenic
+O=C(c1ccccc1)OCc1ccc(cc1)[N+](=O)[O-],mutagenic
+CCCCC/C=C/C(=O)CCc1ccc(c(c1)OC)O,mutagenic
+Nc1ccc(cc1)S(=O)(=O)N,non-mutagenic
+Nc1ccccn1,non-mutagenic
+CCc1cccc(c1N)C,mutagenic
+OC(=O)/C=C/c1ccc(cc1)[N+](=O)[O-],mutagenic
+COc1cc2OC3C(c2c2c1c1CCC(=O)c1c(=O)o2)(O)C=CO3,mutagenic
+ClCCN(CCCNc1c2ccccc2nc2c1cccc2OC)CC,mutagenic
+CCN(c1ccccc1)N=O,non-mutagenic
+O=Cc1ccc(cc1)N=Nc1ccc(cc1)N(C)C,mutagenic
+ClCCSCC(NC(=O)CC(=O)O)NC(=O)CCC(C(=O)O)N,mutagenic
+NC(=N)c1ccc(cc1)c1cc2c([nH]1)cc(cc2)C(=N)N,non-mutagenic
+Oc1ccc(cc1Sc1cc(Cl)ccc1O)Cl,non-mutagenic
+CC(=O)OCc1ccc(cc1)N=Nc1ccc(cc1)N(C)C,mutagenic
+CC(=O)Nc1ccc2c(c1)c1c(C)c3cnccc3c(c1[nH]2)C,non-mutagenic
+CC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)C,mutagenic
+CC(=O)OC1(CCC2C1(C)CCC1C2C2CC2(C2=CC(=O)C3C(C12C)C3)Cl)C(=O)C,non-mutagenic
+OS(=O)(=O)OCc1cc2ccccc2c2c1c1ccccc1cc2,mutagenic
+OC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)c1ccc2c(c1O)C(=O)c1c(C2=O)cccc1,mutagenic
+COc1ccc(cc1)CON(C(=O)c1ccccc1)OC(=O)C,mutagenic
+CC(CCCCCCOC(=O)CCCCC(=O)OCCCCCCC(C)C)C,non-mutagenic
+Nc1ccc2c(c1)scn2,mutagenic
+CCOP(=O)(Oc1ccc(cc1)[N+](=O)[O-])OCC,mutagenic
+OCc1cccc2-c3c4c(-c12)cccc4ccc3,non-mutagenic
+O=NN(C(=O)N)CCCC(=O)O,mutagenic
+c1ccc2c(c1)snc2,non-mutagenic
+O=CN(c1ccc(cc1)/C=C/c1ccccc1)O,mutagenic
+CN1CC[C@H](C1)CN1c2ccccc2Sc2c1cccc2,non-mutagenic
+Oc1c2ccccc2c2c3c1ccc1c3c(cc2)ccc1,mutagenic
+CCCCN(CC(=O)C)N=O,mutagenic
+NCC(=O)O,non-mutagenic
+CCCCCCCCCCCC(=O)C,non-mutagenic
+OC1C(O)C=Cc2c1ccc1c2cc2c(c1)c1C=CC(C(c1cc2)O)O,non-mutagenic
+COC(=O)/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C1=C(C)CCCC1(C)C)\C)\C)/C)/C,non-mutagenic
+Nc1nc2c(n1C)c(C)cc1c2nccn1,mutagenic
+O=C1CC(=NN1c1ccccc1)C,non-mutagenic
+CN1CCN(CC1)c1c(F)c(C(=O)O)c2c3c1OC[C@H](n3ccc2=O)C,mutagenic
+C#CC1(CCC2C1(C)CCC1C2CCC2=CC(=O)CCC12C)OC(=O)C,non-mutagenic
+O=C1CCc2c1c1ccc3c(c1cc2)cccc3,mutagenic
+CN(CCNC(=O)c1cc2ccccc2c2c1nccc2)C,mutagenic
+Nc1ccc(c(c1)N=[N+](c1cc(N)ccc1C)[O-])C,mutagenic
+C1CCC=CC1,non-mutagenic
+O=C(C1(C)OC1)NCc1ccccc1,mutagenic
+Fc1ccc2-c3c(-c4c2c1ccc4)ccc1c3cccc1,mutagenic
+O=C(Nc1ccc(cc1)C)CC(=O)C,non-mutagenic
+COC(=O)C12Oc3ccc(c(c3C(=C2C(=O)CC(C1O)C)O)O)c1ccc2c(c1O)C(=C1C(O2)(C(=O)OC)C(O)C(CC1=O)C)O,non-mutagenic
+C[C@H]1C[C@@H](OC(=O)c2ccccc2O)CC(C1)(C)C,non-mutagenic
+C=CCOC(=O)C=C,non-mutagenic
+ClC(=O)c1ccccc1F,mutagenic
+C=CCn1c(=O)n(CC=C)c(=O)n(c1=O)CC=C,non-mutagenic
+Nc1ccc2c(n1)no[n+]2[O-],mutagenic
+Fc1ccc(cc1)Cn1c(/C=N/OCc2cccc(c2)[N+](=O)[O-])nc2c1ccc(c2)[N+](=O)[O-],non-mutagenic
+Cc1ccc2c(c1)cc1-c3cccc4c3c(-c1n2)ccc4,non-mutagenic
+CCC[C@](COC(=O)N)(COC(=O)NC(C)C)C,non-mutagenic
+CC(Nc1cccc2c1C(=O)c1ccccc1C2=O)C,mutagenic
+O=CN(C)C,non-mutagenic
+S=C=Nc1ccc(cc1)Nc1ccc(cc1)[N+](=O)[O-],non-mutagenic
+Oc1cc2ccc(c3c2c2c1cccc2cc3)[N+](=O)[O-],mutagenic
+COC(=O)c1oc(c(c1c1ccccc1)c1ccccc1)NOC(=O)C,non-mutagenic
+CCN(N=O)C=O,mutagenic
+ClN(S(=O)(=O)c1ccc(cc1)C(=O)O)Cl,mutagenic
+O=c1oc2cc(ccc2cc1c1ccccc1)n1nc2c(n1)c1ccccc1cc2,non-mutagenic
+O=C(NC(C(=O)O)Cc1c[nH]c2c1cccc2)COc1ccc(cc1Cl)Cl,non-mutagenic
+CC(=C)c1ccccc1,non-mutagenic
+OC(=O)Cn1c(C)ncc1[N+](=O)[O-],mutagenic
+CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccccn1,non-mutagenic
+CCCCOC(=O)C(=C)C,non-mutagenic
+COc1cc2OC3C(c2c2c1c1CCOC(=O)c1c(=O)o2)CCO3,non-mutagenic
+O=C1C=CC(=O)C(=C1)C,non-mutagenic
+ClC(C1=C(Cl)C(=O)O[C@H]1O)Cl,mutagenic
+C/C=C/1\CC(C)C(C)(O)C(=O)OCC2=CCN3C2C(OC1=O)CC3,non-mutagenic
+OC1CC2C(C1(C)CC2)(C)C,non-mutagenic
+Cc1cc2c(NC(=O)CCl)snc2cc1,mutagenic
+ClCCN(c1ccc(cc1)c1[nH]c2c(n1)cc(cc2)c1nc2c([nH]1)ccc(c2)N1CCN(CC1)C)CC,non-mutagenic
+COc1cc2OC3(C(c2c2c1c1CCC(=O)c1c(=O)o2)(C)C1C(O3)O1)C,non-mutagenic
+CCCC[C@H](COC(=O)c1cc(ccc1C(=O)OC[C@@H](CCCC)CC)C(=O)OC[C@@H](CCCC)CC)CC,non-mutagenic
+O=C1c2ccccc2-c2c3c1cccc3c(cc2)Oc1ccc(cc1)S(=O)(=O)O,mutagenic
+COc1c(OC)c2occc2c2c1ccc(=O)o2,non-mutagenic
+OCC1OC(OC2C(OC(C(C2O)O)C(=O)O)OC2CCC3(C(C2(C)CO)CCC2(C3CC=C3C2(C)CCC2(C3CC(C)(C)CC2O)C)C)C)C(C(C1O)O)OC1OC(C)C(C(C1O)O)O,non-mutagenic
+N#C[Se]Cc1ccccc1,mutagenic
+C=COc1ccc(cc1)[N+](=O)[O-],mutagenic
+CCC(=O)N(c1ccc2c(c1)cccc2)O,mutagenic
+COC=O,non-mutagenic
+Nc1ccc(cc1)c1[n+](C)c2cc(N)ccc2c2c1cc(N)cc2,mutagenic
+[O-][N+](=O)c1ccc2c(c1)cns2,mutagenic
+CCOC(=O)[C@@H](O)C,non-mutagenic
+COc1cc2O[C@@H]3[C@H](c2c2c1c1CCC(=O)c1c(=O)o2)C=CO3,mutagenic
+NC(=O)NCC=C,mutagenic
+CCCCCCCCCc1ccc(cc1)OP(=O)(Oc1ccccc1)Oc1ccccc1,non-mutagenic
+ClC(c1ccccc1)Cl,mutagenic
+c1ccc2c(c1)c(CCC1CO1)ccc2,mutagenic
+O=NN1CCC(=O)CC1,mutagenic
+Cc1ccnc2c1cccc2,mutagenic
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)nc2c1cccc2,mutagenic
+NC(=N)c1ccc(cc1)OCCCCCOc1ccc(cc1)C(=N)N,non-mutagenic
+CCOC(=O)c1ccccc1c1c2-c(oc3c1cc(C)c(c3)NCC)cc(=NCC)c(c2)C,non-mutagenic
+C[N+]1(C)CCOCC1,non-mutagenic
+CC[N+](=C1C=CC(=C(c2ccccc2S(=O)(=O)O)c2ccc(cc2)N(Cc2cccc(c2)S(=O)(=O)O)CC)C=C1)Cc1cccc(c1)S(=O)(=O)O,mutagenic
+OCC=O,non-mutagenic
+O[C@@H]1[C@H]2O[C@H]2c2c([C@@H]1O)c1ccc3c4c1c(c2)ccc4ccc3,mutagenic
+OC[C@H]1O[C@@H](ON(c2ccc(cc2)Oc2ccc(cc2)Cl)C(=O)C)[C@@H]([C@H]([C@@H]1O)O)O,mutagenic
+[O-][N+](=O)c1cc(C)c2c(c1)cccc2,mutagenic
+O=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)/C)/C,non-mutagenic
+O=c1c2ccc(c3c2c2c(c1=O)cccc2cc3)[N+](=O)[O-],mutagenic
+O=C(NCCC(CC(CNC(=O)OCCOC(=O)C(=C)C)(C)C)C)OCCOC(=O)C(=C)C,non-mutagenic
+CC(C(=O)O)Cl,non-mutagenic
+CC(=C)C(=O)OCC(C)(C)C,non-mutagenic
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(c3c2CCCC3)ccc1,mutagenic
+COc1nc2cc(cc(c2nc1OC)CBr)[N+](=O)[O-],mutagenic
+C/C=C\1/CC(C)C(C)(OC(=O)C)C(=O)OCC2=CCN(CCC(OC1=O)C2=O)C,mutagenic
+CC1(OC1)c1ccc(cc1)Cl,mutagenic
+C/C=C(/C(=C/C)/c1ccc(cc1)O)\c1ccc(cc1)O,non-mutagenic
+O=C1c2cc(cc(c2-c2c1cc(cc2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],mutagenic
+CCCC[C@H](CNC[C@@H](CCCC)CC)CC,non-mutagenic
+CCOC(=O)[C@@H]1O[C@]1(C)c1ccccc1,non-mutagenic
+CC(=O)C1=C(C(=O)C(=C1)C(C)(C)C)C(C)(C)C,non-mutagenic
+[O-][N+](=O)c1cc2ccc3c4c2c(c1O)ccc4ccc3,mutagenic
+CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCO,non-mutagenic
+CC(Cc1nccs1)C,mutagenic
+[O-][N+](=O)c1cc2c(snc2cc1)C(C(=O)OCC)(C#N)C,mutagenic
+BrCC(=O)Nc1ccccc1,non-mutagenic
+Nc1[nH]cc2-c(n1)ncn2,non-mutagenic
+OC(COC(=O)C(=C)C)COc1ccc(cc1)C(c1ccc(cc1)OCC(COC(=O)C(=C)C)O)(C)C,non-mutagenic
+COc1ccc(cc1)Nc1c2ccccc2nc2c1cccc2,mutagenic
+OCC(=O)N(c1ccc(cc1)Cl)O,non-mutagenic
+O=C/C=C/c1ccc(o1)[N+](=O)[O-],mutagenic
+NC(C(=O)O)CSCCCl,mutagenic
+Nc1ccc2c3c1ccc1c3c(cc2)c2c(c1)cccc2,mutagenic
+OC1c2ccccc2-c2c(C1O)c(C)c1c(c2)cccc1,mutagenic
+CCOCC=O,non-mutagenic
+Br/C=C/Br,mutagenic
+Brc1cccc(c1)c1ccccc1,non-mutagenic
+c1cc2ccc3c4c2c(c1)ccc4cc1c3[C@@H]2O[C@@H]2C=C1,mutagenic
+[O-][N+](=O)O[C@@H]1CO[C@H]2[C@@H]1OC[C@H]2O,non-mutagenic
+O=C/C=C/c1ccc(cc1)[N+](=O)[O-],mutagenic
+O=Nc1c(nc2n1ccs2)c1ccc(cc1)[N+](=O)[O-],mutagenic
+ClC/C=C\Cl,mutagenic
+S=c1ssc(c1C)c1cnccn1,non-mutagenic
+N#N=Nc1nc2c(n1C)c1cccnc1cc2,mutagenic
+COC1=CC(=O)C[C@H]([C@@]21Oc1c(C2=O)c(OC)cc(c1Cl)OC)C,non-mutagenic
+[O-][N+](=O)c1cc2cc(cc(c2c(c1)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],mutagenic
+CCC[C@H](C[C@H]([C@H](OC(=O)C[C@H](C(=O)O)CC(=O)O)C[C@@H](CCCCCC[C@@H](C[C@@H]([C@H](N)C)O)O)C)OC(=O)C[C@H](C(=O)O)CC(=O)O)C,non-mutagenic
+CCC(COC(=O)CCCCC(=O)O)CCC(=O)C,non-mutagenic
+OC(=O)CC(C(=O)O)N,non-mutagenic
+BrCCCBr,non-mutagenic
+CC(=O)C=C,mutagenic
+O=C1CC=C(O1)C,non-mutagenic
+NNc1scc(n1)c1ccc(cc1)[N+](=O)[O-],mutagenic
+[O-][N+](=O)c1ccc(c(c1)N)C,mutagenic
+OCC(C(=O)O)N,non-mutagenic
+OCC(=O)O,non-mutagenic
+COc1cc(ccc1N=Nc1cc(c2c(c1O)cccc2)S(=O)(=O)O)c1ccc(c(c1)OC)N=Nc1cc(c2c(c1O)cccc2)S(=O)(=O)O,non-mutagenic
+C1CCOCO1,mutagenic
+Cc1ncc(nc1)C,non-mutagenic
+Clc1cc2ccccc2c2c1cccc2,mutagenic
+c1ccc2-c3c([C@H]4[C@@H](c2c1)N4)ccc1c3cccc1,mutagenic
+C/C=C/c1ccc(cc1)OC,non-mutagenic
+[O-][N+](=O)c1c(O)cc2-c3c(-c4c2c1ccc4)cccc3,mutagenic
+Oc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1)C(=O)O,non-mutagenic
+CN(c1nc2c(n1C)ccc1c2cccn1)C,mutagenic
+CN(CCCN1c2ccccc2CCc2c1cccc2)C,non-mutagenic
+Cn1cc2c(n1)c(ccc2)[N+](=O)[O-],mutagenic
+c1ccc2c(c1)c1cccc3c1c1c2cccc1cc3,mutagenic
+CC(=O)c1cc(cc2c1CCC2(C)C)C(C)(C)C,non-mutagenic
+C=CC(=O)OCCCCCC(C)C,non-mutagenic
+O=C1NC(=O)c2c1cc(cc2)[N+](=O)[O-],mutagenic
+Cc1ccc2c(c1)ccc1c2cccc1,mutagenic
+OCc1ccc(cc1N)[N+](=O)[O-],mutagenic
+Fc1ccc(cc1)C(=O)CCCN1CCN(CC1)c1ccccn1,non-mutagenic
+COc1cc(CNCC(COc2ccc3c(c2)ccc(n3)O)O)ccc1OC,non-mutagenic
+CCC(CC(CC(Cl)C)Cl)Cl,non-mutagenic
+Brc1cc2cccnc2c(c1)C(=O)O,non-mutagenic
+[O-][N+](=O)NC(=N)N(N=O)CCCCC,mutagenic
+CN(CCCNc1c2ccccc2nc2c1c(ccc2N(C)C)[N+](=O)[O-])C,mutagenic
+OOC1(C)c2ccccc2-c2c1cccc2,mutagenic
+Clc1nc2ccccc2nc1Cl,non-mutagenic
+OC1C2OC2c2c(C1O)ccc1c2ccc2c1cccc2,mutagenic
+[O-][N+](=O)c1ccc2-c3c(Cc2c1)cc(cc3)[N+](=O)[O-],mutagenic
+[O-][N+](=O)c1ccc(c(c1)C(=O)O)[N+](=O)[O-],mutagenic
+CNc1snc2c1cccc2,non-mutagenic
+O=C1CCC(N1)C(=O)N1CSCC1C(=O)O,non-mutagenic
+[O-][N+](=O)c1ccc2-c3c(-c4c2c1c(cc4)[N+](=O)[O-])cccc3,mutagenic
+CCCOc1cc2C(=O)CCc2c2c1c1ccccc1cc2,non-mutagenic
+O=NN(c1ncn(c1C(=O)NC)C)C,non-mutagenic
+COc1cc(cc(c1O)OC)C1C2C(=O)OCC2C(c2c1cc1OCOc1c2)OC1OC2COC(OC2C(C1O)O)C,non-mutagenic
+OC(=O)C/C(=C/C(=O)O)/C(=O)O,non-mutagenic
+OC1C=Cc2c(C1O)nccc2,non-mutagenic
+OC1C=CC2C(C1O)O2,mutagenic
+O=C1C(=O)C2(C(C1CC2)(C)C)C,non-mutagenic
+Clc1ccc(cc1)/C=N/n1nnc2-c(c1O)nc1c2cccc1,mutagenic
+ClCCN(c1cccc(c1)/C=C/C(=O)OC1CCC2(C(C1)CCC1C2CCC2(C1CCC(=O)N2)C)C)CCCl,mutagenic
+ClC(C(=O)C)Cl,mutagenic
+C[C@H](CN(C[C@H](O)C)N=O)O,mutagenic
+O=C1Nc2c(C1=O)cc(cc2)S(=O)(=O)O,mutagenic
+CCCC(=O)OCc1cccc(c1)[N+](=O)[O-],non-mutagenic
+CN(CCNC(=O)c1cccc2c1cc1ccccc1c2)C,mutagenic
+OC1OC(=O)C(=C1C)Cl,mutagenic
+c1ccc2c(c1)[nH]c1c2ccnc1,mutagenic
+N[C@@H](C(=O)O)CS,mutagenic
+ClCc1cccc(c1)[N+](=O)[O-],mutagenic
+CCN(CCC[C@H](Nc1cc(OC)cc2c1nccc2)C)CC,mutagenic
+O=CCC(c1ccc(cc1)C(C)(C)C)C,non-mutagenic
+O=Nc1ccc2c3c1ccc1c3c(cc2)c2c(c1)cccc2,mutagenic
+CCc1nc(N)nc(c1c1ccc(cc1)Cl)N,non-mutagenic
+O=C/C(=C/c1ccccc1)/Br,mutagenic
+COC(=O)CCCCC(=O)OC,non-mutagenic
+OS(=O)(=O)Oc1ccc2c3c1ccc1c3c(cc2)c2c(c1)cccc2,non-mutagenic
+CN(c1ccc(cc1)C(=N)c1ccc(cc1)N(C)C)C,mutagenic
+Oc1c(cc(cc1[N+](=O)[O-])c1ccccc1)[N+](=O)[O-],mutagenic
+Oc1ccc2c(c1)ccc1c2ccc2c1cccc2,mutagenic
+O=Nc1ccc(cc1)c1ccc(cc1)C(C)(C)C,mutagenic
+Cc1cc2ncccc2c2c1n(C)c(n2)N,mutagenic
+Clc1cc(Cl)nc(n1)Cl,non-mutagenic
+[O-][N+](=O)c1ccc(cc1)N=Nc1c(N)c2c(cc1S(=O)(=O)O)cc(c(c2O)N=Nc1ccccc1)S(=O)(=O)O,mutagenic
+CCOc1ccccc1[N+](=O)[O-],mutagenic
+c1ccc2-c3cc4ccccc4cc3C3C(c2c1)N3,mutagenic
+C=C[C@H]1CO1,mutagenic
+S=C(NC1CCCCC1)NC1CCCCC1,non-mutagenic
+CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC,non-mutagenic
+CCC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)CC,mutagenic
+Oc1ccc(cc1N)S(=O)(=O)O,non-mutagenic
+CCCCCCCCCCCCCCCCCCOC(=O)CCc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C,non-mutagenic
+CCOc1ccc(cc1NC(=O)C(=O)Nc1ccccc1CC)C(C)(C)C,non-mutagenic
+ON=C,non-mutagenic
+Clc1cc(Cl)c2c(c1O)nccc2,non-mutagenic
+OCCc1c(nc(n2c1ncn2)N)c1ccccc1,non-mutagenic
+Brc1cc(Br)cc(c1OCCOc1c(Br)cc(cc1Br)Br)Br,non-mutagenic
+ClC1C2C(Cl)C(C(C1Cl)(C2(C)C(Cl)Cl)C(Cl)Cl)Cl,non-mutagenic
+Nc1ccc2c(n1)c1ccccc1cc2,mutagenic
+ClC(=C1OC(=O)C(=C1Cl)Cl)Cl,mutagenic
+C=C1CC23CC1CCC3C1(C(CC2)C(C)(CCC1)C(=O)O)C,non-mutagenic
+N#Cc1ccc2c(c1)n(C)c(n2)N,mutagenic
+N#Cc1cc(Br)c(c(c1)Br)O,non-mutagenic
+CC(N(C(C)C)N)C,mutagenic
+CC1NCCN(C1)c1cc2c(c(c1F)C)c(=O)c(cn2C1CC1)C(=O)O,non-mutagenic
+C=C1CC(=O)O1,non-mutagenic
+CC(=O)Nc1ccc(cc1)Oc1ccc(cc1)N(C(=O)C)O,mutagenic
+CCCC[C@H](COCCCN)CC,non-mutagenic
+OCC1(CO)CO[C@H](N1)c1ncc(n1C)[N+](=O)[O-],mutagenic
+O=NN(C(=O)c1c(NC)ncn1C)C,mutagenic
+C[Si](O)(C)C,non-mutagenic
+[O-][N+](=O)c1ccc(c(c1)O)[N+](=O)[O-],mutagenic
+COc1cc(ccc1N)c1ccc(c(c1)OC)N,mutagenic
+CCOc1ccc(cc1N)N,mutagenic
+[O-][N+](=O)c1cc2ccccc2c2c1c(ccc2)[N+](=O)[O-],mutagenic
+O=C1C(=C)C2(CC31CCC1C(C3CC2)(C)CCCC1(C)C(=O)O)O,mutagenic
+Cn1c(N)nc2c1cc1cnccc1n2,non-mutagenic
+c1ccc(nc1)c1cccnc1,mutagenic
+CCOCCc1c(nc(n2c1ncn2)N)c1ccccc1,non-mutagenic
+COC(=O)c1ccc(cc1)CN(N=O)C,non-mutagenic
+O=CCCC(N(C(=O)OCC)N=O)c1cccnc1,mutagenic
+O=C1CCC(N1C)c1cccnc1,non-mutagenic
+Nc1cc2c(c(c1)S(=O)(=O)O)cccc2S(=O)(=O)O,non-mutagenic
+OC(=O)CCC(=O)O,non-mutagenic
+Nc1cc(Cl)c(c(c1)Cl)Cl,non-mutagenic
+CCNCC#CC(OC(=O)C(c1ccccc1)(C1CCCCC1)O)(C)C,non-mutagenic
+CN1CCN(CC1)C,non-mutagenic
+O/N=C(/c1cc(O)c(c(c1)O)O)\N,mutagenic
+CNC,non-mutagenic
+Brc1c(C)c(Br)c(c(c1Br)Br)Br,non-mutagenic
+[O-][N+](=O)c1ccc2-c3c([C@H](c2c1)O)cccc3,mutagenic
+OCCCN=N,mutagenic
+CC=O,non-mutagenic
+OC(=O)C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F,non-mutagenic
+c1cc2C3OC3c3c2c(c1)c1cc2ccccc2cc1c3,mutagenic
+OCC#C,mutagenic
+[O-][N+](=O)c1cc2CCc3c4-c2c(c1)CCc4cc(c3)[N+](=O)[O-],mutagenic
+OCCCCN(CCO)N=O,mutagenic
+[O-][N+](=O)c1ccc(o1)/C=N/c1snc2c1cccc2,mutagenic
+OCC(Cc1ccccc1)CN=N#N,mutagenic
+Brc1ccc2c(c1)C=CC1C2CCCC1,non-mutagenic
+Cc1nsc(c1)N,mutagenic
+CON(C(=O)Nc1ccc(c(c1)Cl)Cl)C,mutagenic
+OC(CN=N#N)Cn1ccc(=O)[nH]c1=O,mutagenic
+O=NN(c1ccccc1)c1ccccc1,non-mutagenic
+S=C1SSC2=NCCN12,non-mutagenic
+COC(=O)[C@@H](c1ccccc1)[C@H]1CCCCN1,non-mutagenic
+Cc1ccc(cc1)CC1OC1,mutagenic
+O=C1CCCCCN1,non-mutagenic
+Nc1nc2c(n1C)ccc1c2cccn1,mutagenic
+CN(N=O)C[C@H](O)C,mutagenic
+Oc1cc2cccc3c2c2c1ccc(c2cc3)[N+](=O)[O-],mutagenic
+C1=COc2c(C=C1)c1ccccc1c1c2cc2ccccc2c1,mutagenic
+OC(=O)C1NC(c2ccccc2)c2c(C1)c1ccccc1[nH]2,non-mutagenic
+CC(=O)Nc1ccc(cc1Cl)Cc1ccc(c(c1)Cl)NC(=O)C,mutagenic
+ClCCOC/C(=C\Cl)/Cl,mutagenic
+O=Cc1cccc(c1)c1ccccc1,non-mutagenic
+CC(Cc1cc(N)cc(c1N)[N+](=O)[O-])O,non-mutagenic
+COC(=O)NC(=S)Nc1ccccc1NC(=S)NC(=O)OC,mutagenic
+COC(=O)CC(=O)OC,non-mutagenic
+Clc1ccc(c(c1)N)O,mutagenic
+Nc1sc2c(n1)cc(c(c2)C)C,mutagenic
+SCC(C(=O)O)NC(=O)C(S)(C)C,non-mutagenic
+c1ccc2c(c1)ccc1c2ccc2c1c1ccccc1cc2,mutagenic
+Clc1cc(ccc1Cl)NS(=O)(=O)c1cccc2c1nccc2,non-mutagenic
+Cc1nc2c(nc1C)ccc1c2nc(n1C)N,mutagenic
+[O-][N+](=O)c1ccccc1N,non-mutagenic
+c1ccc[nH]1,non-mutagenic
+FC(I)(F)F,mutagenic
+Cc1nc2c(nc1C)ccc(c2C)N,mutagenic
+COC1=CC(=O)C(=O)C(=C1)C(C)(C)C,non-mutagenic
+[O-][N+](=O)c1cc(N)c(c(c1)N)C,mutagenic
+O[C@H]1C[C@@H](O)[C@]2([C@H](C1)[C@@H](C)C[C@@H]1[C@H](C2)[C@@H](C)C(=O)O1)C,mutagenic
+N#Cc1cc(c2ccncc2)c(nc1O)C,non-mutagenic
+[O-][N+](=O)c1cc([N+](=O)[O-])c2c3c1ccc1c3c(cc2)ccc1,mutagenic
+OCc1ccc(cc1)NNC(=O)C,mutagenic
+Clc1c(Cl)c(Cl)c(c2c1c(Cl)c(c(c2Cl)Cl)Cl)Cl,non-mutagenic
+CC(=O)OC1Cc2c3c1ccc1c3c3c(c2)cccc3cc1,mutagenic
+Cc1cc(ccc1N=Nc1ccc(c(c1)C(=O)O)O)c1ccc(c(c1)C)N=Nc1c(N)c(C)cc(c1N)S(=O)(=O)O,mutagenic
+NNc1ccc(cc1)[N+](=O)[O-],mutagenic
+CC[C@H]([C@@H](CO)C)C,non-mutagenic
+[O-][n+]1ncc2c(c1)cccn2,non-mutagenic
+Nc1ccc(cc1Cl)c1cc(Cl)c(c(c1)Cl)N,mutagenic
+[O-][n+]1cccc2c1C=CC1C2O1,non-mutagenic
+Cl/C=C\Cl,non-mutagenic
+CC(=O)Nc1cccc(c1)O,non-mutagenic
+O=C1CCC(N1)C(=O)NC(C(=O)N1CCCC1C(=O)N)Cc1nc[nH]c1,non-mutagenic
+Oc1ccc(cc1)/C=N/c1snc2c1cccc2,mutagenic
+O=Nc1ccc(cc1)C(=O)C,mutagenic
+OCc1cc2CC[C@H](Nc2cc1[N+](=O)[O-])CNC(C)C,mutagenic
+OOC(c1ccccc1)(C)C,mutagenic
+Nc1ccc(c2c1C(=O)c1c(C2=O)cccc1[N+](=O)[O-])N,mutagenic
+OC(=O)CN(CC(=O)O)CC(=O)O,non-mutagenic
+COC1=C(OC)C(=O)C(=C(C1=O)C/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)\C)\C)\C)\C)\C)\C)\C)C,non-mutagenic
+C[C@@H](c1ccccc1)CCc1ccccc1,non-mutagenic
+Nc1cc2nc3c(nc2cc1C)ccc(c3N)C,mutagenic
+CS(=O)C,non-mutagenic
+CNC(=O)c1ccccc1,non-mutagenic
+O=CNNc1scc(n1)c1ccc(o1)[N+](=O)[O-],mutagenic
+COCCOC,mutagenic
+Oc1cccc2c1ccc1c2c2c([nH]1)ccc1c2cccc1,mutagenic
+COP(=O)(O)O,non-mutagenic
+CCCCOC(=O)C,non-mutagenic
+ClC1=C(Cl)C(=C(C1(Cl)C1(Cl)C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)Cl,mutagenic
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)c2c(c1)CCCC2,mutagenic
+OC(=O)c1ccccc1Nc1cccc(c1)C(F)(F)F,non-mutagenic
+ClCc1ccc(cc1)OC,non-mutagenic
+ClC(C(=O)C(Cl)Cl)Cl,mutagenic
+O=C1Cc2cc3cc(ccc3cc2C(C1O)O)[N+](=O)[O-],non-mutagenic
+CC[C@H]1CO1,mutagenic
+Cc1nc2c(nc1C)c(C)c(c1c2nc(n1C)N)C,mutagenic
+C=CN=Nc1ccccc1,mutagenic
+CN1C[C@@H](c2ccccc2)c2c(C1)c(N)ccc2,non-mutagenic
+CCOC(=O)c1cc2cc3CCCN4c3c(c2oc1=O)CCC4,non-mutagenic
+Oc1ccc(cc1)/C=C/C(=O)c1ccccc1,non-mutagenic
+O=C(NC(C(=O)O)CC(=O)O)COc1ccc(cc1Cl)Cl,non-mutagenic
+Oc1ccc(c(c1)O)O,mutagenic
+CNC=O,non-mutagenic
+Fc1cccc2c1ccc1c2nccc1,mutagenic
+OCC1OC(CC1O)n1cc(O)c(nc1=O)N,non-mutagenic
+O=c1oc2c3c4c1cccc4ccc3ccc2[N+](=O)[O-],mutagenic
+CC(C(=O)NCc1ccccc1)NCc1ccccc1,non-mutagenic
+O=C(C(C)(C)C)C1C(=O)c2c(C1=O)cccc2,non-mutagenic
+[O-][N+](=O)c1ccc(c(c1)C)C,mutagenic
+Cc1ccc2c(c1O)NC(O)C1N(C2=O)C=C(C1)/C=C/C(=O)N,mutagenic
+COC(=C1C(=NC(=C([C@@H]1c1ccccc1[N+](=O)[O-])C(=O)OCC(=O)C)C)C)O,non-mutagenic
+N#N=Nc1ccc2c(c1)nc1c(c2Nc2ccc(cc2)NS(=O)(=O)C)ccc(c1)N=N#N,mutagenic
+O=Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-],mutagenic
+Oc1ccc2c(c1)c1ccccc1c1c2cc2ccccc2c1,mutagenic
+C1CCc2c(C1)c1-c3ccccc3-c3c1c(c2)c1ccccc1c3,mutagenic
+OC(=O)C1OC(O/N=C(/c2ccccc2)\N)C(C(C1O)O)O,non-mutagenic
+CN/C(=C/[N+](=O)[O-])/NCCSCc1ccc(o1)CN(C)C,non-mutagenic
+O=Nc1c2ccc3c4c2c(c2c1cccc2)ccc4ccc3,mutagenic
+Clc1ccc(c(c1)C(=O)O)Cl,non-mutagenic
+CCOC(=O)[C@@H](N[C@H](C(=O)N(C1Cc2c(C1)cccc2)CC(=O)O)C)CCc1ccccc1,non-mutagenic
+[O-][N+](=O)c1cccc2-c3c4c(-c12)cccc4ccc3,mutagenic
+ClCc1ccc(cc1)OC(=O)C,mutagenic
+Oc1[nH]cnc2-c1cnn2,non-mutagenic
+Nc1ccccc1O,mutagenic
+O=NN1CCSCC1,mutagenic
+CC1(CO1)C=C,non-mutagenic
+CNC1Cc2cccc3c2c(C1)ccc3,mutagenic
+Nc1ccc2c(c1)cc1c([n+]2C)cccc1,mutagenic
+Oc1cc2ccccc2c2c1c1ccccc1cc2,non-mutagenic
+C=CCn1cc2c3c1cccc3[C@H]1[C@@H](C2)N(C)CC(=C1)CO,mutagenic
+Nc1ncnc2c1ncn2Cc1ccccc1,mutagenic
+Nc1ccc(cc1)Cc1ccc(c(c1)Cc1ccc(cc1)N)N,mutagenic
+CC(CON=O)C,mutagenic
+ClCCN(c1cc(ccc1C)C(P(=O)(O)O)(P(=O)(O)O)O)CCCl,mutagenic
+CCOC(/C=C(\CCC=C(C)C)/C)OCC,non-mutagenic
+CCCc1ccc2c(c1)OCO2,non-mutagenic
+OC(=O)C[C@@H](C[C@H](/C=C/c1c(c2ccc(cc2)F)c2c(n1C(C)C)cccc2)O)O,non-mutagenic
+CC[N+](=c1ccc2-c(c1)oc1c(n2)c2ccccc2c(c1)N)CC,mutagenic
+Nc1ccc(c2c1cccc2)N,mutagenic
+Cl/C=C(/C(Cl)Cl)\Cl,mutagenic
+CCOC(=O)C(Oc1ccc(cc1)Cl)(C)C,non-mutagenic
+ClCCN(C(=O)NC(C(C(C(CO)O)O)O)C=O)N=O,mutagenic
+Cc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1O)O,mutagenic
+Oc1cccc(c1)O,non-mutagenic
+CC(=O)OCc1c2ccccc2cc2c1ccc1c2cccc1,mutagenic
+Cc1cc(cc(c1N)C)c1cc(C)c(c(c1)C)N,non-mutagenic
+O=Cc1ccc2-c1cc(ccc2C)C(=C)C,mutagenic
+COc1ccc2c(c1)c1oc(=O)ccc1c(c2)[N+](=O)[O-],mutagenic
+OC1C=C2CC=C3C(C2(CC1O)C)CC(C1(C3CC=C1C(=O)C)C)O,non-mutagenic
+OC(=O)c1c(Cl)cccc1Cl,non-mutagenic
+O=C(NC(C(=O)NCC(=O)O)CSC(=O)NC(C)(C)C)CCC(C(=O)O)N,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/c1ccco1,non-mutagenic
+COC1=CC(=O)C=CC1=O,non-mutagenic
+O=C(c1ccc(cc1)[N+](=O)[O-])OC[C@@H]1OC1,mutagenic
+CN(c1ccc(cc1)N=Nc1ccccc1)OC(=O)C,mutagenic
+C/C=C/c1ccc(cc1OC)OC,non-mutagenic
+BrCC1=C(Cl)C(=O)OC1,mutagenic
+[O-][N+](=O)c1ccc2c(c1)c(C)ccc2,mutagenic
+ClCCN([P@]1(=O)OCC[C@H](N1)O)CCCl,mutagenic
+N#CC1(O)CCCCC1,non-mutagenic
+ONC(=O)c1ccc(c(c1)O)O,mutagenic
+CC(CC1NC(=O)CNC1=O)C,non-mutagenic
+c1ccc(cc1)/C=C/c1ccccc1,non-mutagenic
+[O-][N+](=Nc1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])C)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])C,mutagenic
+Nc1nc(nc2c1ncn2c1ccc(cc1)[N+](=O)[O-])c1ccc(cc1)[N+](=O)[O-],mutagenic
+Brc1c(O)c(Br)c(c(c1Br)Br)Br,non-mutagenic
+C[C@H](COC(C)(C)C)O,mutagenic
+O=C1N[C@@H](C(C)C)C(=O)N2CCC[C@H]2C(=O)N(C)CC(=O)N([C@H](C(=O)O[C@H]([C@@H]1NC(=O)c1c2-c(oc3c(n2)c(ccc3C)C(=O)N[C@H]2[C@@H](C)OC(=O)[C@@H](C(C)C)N(C)C(=O)CN(C(=O)[C@H]3N(C(=O)[C@@H](NC2=O)C(C)C)CCC3)C)c(c(=O)c1N)C)C)C(C)C)C,non-mutagenic
+O=NN1CCCCCCC1,mutagenic
+Oc1ccc(cc1)S(=O)(=O)c1ccc(cc1)O,non-mutagenic
+O=C1NC(=O)NC(=O)C1(O)O,non-mutagenic
+OC(=O)C(c1ccc2c(c1)[nH]c1c2cc(cc1)Cl)C,non-mutagenic
+CC[C@H]([N+](=O)[O-])CO,non-mutagenic
+ClCCNc1ccc(cc1)CCCC(=O)O,mutagenic
+Cc1ccc(cc1)Cl,non-mutagenic
+OC(COc1cccc2c1c(=O)cc(o2)C(=O)O)COc1cccc2c1c(=O)cc(o2)C(=O)O,non-mutagenic
+Fc1cc2cccnc2c2c1cccn2,mutagenic
+Cc1cc(C)c2c(c1N)nsn2,mutagenic
+ONc1cccc(c1)c1ccccc1,non-mutagenic
+Nc1ccc2c(c1S(=O)(=O)O)cccc2,mutagenic
+OC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl,non-mutagenic
+OC(=O)CCCc1c[nH]c2c1cccc2,non-mutagenic
+C1C=Cc2c(C1)ccc1c2cc2c(n1)ccc1c2cccc1,mutagenic
+Oc1cc2c3c4c1cccc4ccc3ccc2[N+](=O)[O-],mutagenic
+Clc1cc(Cl)c(c(c1)Cl)O,non-mutagenic
+Cc1ccco1,non-mutagenic
+C=CCNCC=C,non-mutagenic
+[O-][N+](=O)c1cc(C)c(c(c1)[N+](=O)[O-])O,non-mutagenic
+OC1COC(C(C1O)O)Nc1ccc(cc1)C(=O)O,non-mutagenic
+O=C1C=Cc2c(C31OC3(C)C(=O)C)cccc2,non-mutagenic
+CCc1c2ccc3c(c2c(c2c1cccc2)CC)cccc3,non-mutagenic
+CC(=O)c1ccc[nH]1,mutagenic
+COc1cc(N)c(cc1N)OC,mutagenic
+c1ccc2c(c1)Sc1c(O2)cccc1,non-mutagenic
+[O-][N+](=O)c1ccc2-c3c4c(-c2c1)nc1ccccc1c4c1c(n3)cccc1,mutagenic
+COc1cc2C(=O)c3cc(C)cc(c3C(=O)c2c(c1O)O)O,mutagenic
+C=Cc1cccnc1,non-mutagenic
+O=C(Cc1ccccc1)N[C@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C,non-mutagenic
+Nc1ccc2c3c1ccc1c3c(cc2)ccc1,mutagenic
+CCCCCC[C@@H](C/C=C\CCCCCCCC(=O)O)O,non-mutagenic
+OCCSN=O,mutagenic
+O=NN1CCNC1=O,mutagenic
+CCC1(OCCc2c1[nH]c1c2cccc1CC)CC(=O)O,non-mutagenic
+C/C=C/Cl,mutagenic
+Nc1c(N=Nc2ccc(cc2)c2ccc(cc2)N=Nc2cc(c3c(c2N)cccc3)S(=O)(=O)O)cc(c2c1cccc2)S(=O)(=O)O,mutagenic
+[O-][N+](=O)c1ccc(cc1)OC[C@@H]1OC1,mutagenic
+c1ccc2c(c1)c1sc3c(c1cc2)cccc3,mutagenic
+[O-][N+](=O)c1cc(ccc1Nc1ccccc1O)[N+](=O)[O-],mutagenic
+c1cc2ccc3c4c2c(c1)ccc4ccc3[C@H]1OC1,mutagenic
+CC([N+](=O)[O-])C,mutagenic
+OCC(COP(=O)(O)O)O,non-mutagenic
+O=C(c1cc(O)c(c(c1)O)OC(=O)c1cc(O)c(c(c1)O)O)OC1OC(COC(=O)c2cc(O)c(c(c2)O)O)C(C(C1OC(=O)c1cc(O)c(c(c1)O)O)OC(=O)c1cc(O)c(c(c1)O)O)OC(=O)c1cc(O)c(c(c1)O)O,non-mutagenic
+CCN(N=O)CC,mutagenic
+CC(=O)c1ccc(cc1)[N+](=O)[O-],mutagenic
+COc1c(O)c2N(CCc2c2c1[nH]c(c2)C(=O)N1CC2C3(C1=CC(=O)c1c3c(C)c[nH]1)C2)C(=O)c1cc2c([nH]1)c(OC)c(c1c2CCN1C(=O)N)O,non-mutagenic
+COC12OOC2(C)Oc2c1cccc2,mutagenic
+COc1cc2c(CCNC(=O)C)c[nH]c2cc1O,non-mutagenic
+O=NN(C(=O)N)C[Si](C)(C)C,mutagenic
+BrCC(CBr)Cl,mutagenic
+Cc1ccc(cc1)Nc1ccc(cc1)[N+](=O)[O-],mutagenic
+CC(OC(=O)C[C@](C(=O)O)(CC(=O)O)O)C,non-mutagenic
+OC[C@@H]([C@H]1OC(=C(C1=O)O)O)O,non-mutagenic
+O[C@@H]1[C@@H](O)C=C2c3c1cccc3-c1c2ccc2c1cccc2,mutagenic
+CN(CNc1nnc(o1)/C=C/c1ccc(o1)[N+](=O)[O-])C,mutagenic
+C1COC1=O,mutagenic
+NC(=O)c1ccccc1O,non-mutagenic
+CC1CCN(CC1)N=O,mutagenic
+C[Si](c1ccc(cc1)[Si](CCCOCC1OC1)(C)C)(CCCOCC1OC1)C,mutagenic
+CC(OC[C@@H]1OC1)(C)C,mutagenic
+Clc1ccc(c(c1)Cl)C(=O)Cl,mutagenic
+Cc1ccc(c(c1)C)O,mutagenic
+CC(=O)ON(c1ccc2-c3c(Cc2c1)cccc3)C(=O)C,mutagenic
+NCCCCCCCCCCC(=O)O,non-mutagenic
+NCCCl,mutagenic
+[O-][n+]1cccc2c1c(O)ccc2,non-mutagenic
+CCCCc1ccc(cc1)/N=C\c1ccc(cc1)OC,mutagenic
+Cn1cnc2c1c(=O)[nH]c(=O)n2C,non-mutagenic
+CC(CC(=O)Nc1ccc(cc1)O)O,non-mutagenic
+OC(=O)c1ccc(cc1)[N+](=O)[O-],mutagenic
+OC(=O)C1(C)CCCC2(C1CCC13C2CCC(C3)(C(C1)C)O)C,non-mutagenic
+O=C1CCCCC1=O,mutagenic
+CCC/C=C/C=O,mutagenic
+[O-][N+](=O)c1cccc(c1)NS(=O)(=O)c1cccc2c1nccc2,non-mutagenic
+OC(=O)C(CCl)Cl,non-mutagenic
+C=CC=O,mutagenic
+O=C(c1csc(c1)[N+](=O)[O-])Nc1ccccc1Br,mutagenic
+CCCCCCCCCCCCCCCC(=O)OCC(C1OC(=C(C1=O)O)O)O,non-mutagenic
+OCCNC(=O)c1c(I)c(C(=O)NCC(CO)O)c(c(c1I)N(C(=O)C)CC(CO)O)I,non-mutagenic
+O=C1OCCN1P(=O)(N1CCOC1=O)Cl,mutagenic
+ClC1=C(Cl)C(=O)OC1,mutagenic
+Clc1cc2Oc3cc(ccc3Oc2cc1Cl)[N+](=O)[O-],mutagenic
+NC(C(=O)O)CSC(C(C(F)F)(F)F)(F)F,non-mutagenic
+COP(=O)(O/C(=C\C(=O)O[C@H](c1ccccc1)C)/C)OC,non-mutagenic
+COC(=O)c1ccco1,non-mutagenic
+OCc1ccc(cc1)O,non-mutagenic
+CCCC[C@H](COP(=O)(Oc1ccccc1)Oc1ccccc1)CC,non-mutagenic
+c1ccc(nc1)c1cccc(n1)c1ccccn1,mutagenic
+Nc1ccc(cc1)/C=C/c1cccc(c1)Cl,mutagenic
+Clc1ccc(cc1)S(=O)(=O)C,non-mutagenic
+C[n+]1cccc(c1)OC(=O)N(C)C,non-mutagenic
+CC(C(Cc1ccc(c(c1)O)O)C)Cc1ccc(c(c1)O)O,non-mutagenic
+c1ccc2c(c1)c1c(cn2)cnc2c1cccc2,non-mutagenic
+C=CC#N,mutagenic
+COC(=O)Nc1nc2c([nH]1)ccc(c2)O,non-mutagenic
+OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NO,mutagenic
+CCN(c1ccc(cc1)N=Nc1ccccc1)CC,non-mutagenic
+CCOCCOC(=O)/C=C\c1ccc(cc1)OC,non-mutagenic
+Nc1nc2c([nH]1)cccc2,non-mutagenic
+OC(=O)[C@@H](Cc1c[nH]c2c1cccc2)N,non-mutagenic
+O=C(OC(C)(C)C)CN=N#N,mutagenic
+[O-][N+](=O)c1ccc2c(c1)nc1c(n2)cccc1,mutagenic
+[O-][N+](=O)c1cccc(c1N)N,mutagenic
+CCN(c1ccc2-c3c(Cc2c1)cccc3)C(=O)C,mutagenic
+OC[C@@H]1CO[C@H](O1)[C@@H](I)C,mutagenic
+Cc1cc([N+](=O)[O-])c(c2c1[nH]c1c2cccc1)C,mutagenic
+O=C1C2OC2C2c3c1c(O)ccc3C1c3c2ccc(c3C(=O)C2C1O2)O,mutagenic
+CCCCCCOC(=O)C(=C)C,non-mutagenic
+CS(=O)(=O)OCCc1ccc(cc1)OCc1ccccc1,mutagenic
+O=CC1C(=CCC2C1(C)CCCC2(C)C)C=O,non-mutagenic
+Nc1ccc(cc1)Br,non-mutagenic
+[O-][N+](=O)c1ccc(cc1)N=Nc1ccc(c(c1)C(=O)O)O,mutagenic
+Cc1ccc2c(c1)c(C)c1c(-c3ccccc3C(C1O)O)n2,non-mutagenic
+Nc1cc2c(c3c1cccc3)ccc1c2cccc1,mutagenic
+CCCCON(C(=O)c1ccc(cc1)[N+](=O)[O-])OC(=O)C,mutagenic
+NC(C(=O)O)CSc1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl,non-mutagenic
+Cc1ccccn1,non-mutagenic
+Clc1ccc(c(c1)Cl)NS(=O)(=O)c1cccc2c1nccc2,non-mutagenic
+CCCCCCCCCCCCCCCCCC(=O)OCC(CO)O,non-mutagenic
+Cn1c(N)nc2c1cc(cn2)c1ccccc1,mutagenic
+Cc1ccc2c(c1)nc1c(c2)ccc2c1cccc2,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
+Cc1ccc2c(c1C)c1ccccc1cc2,non-mutagenic
+OC(COc1cccc2c1CC(O)C(C2)O)CNC(C)(C)C,non-mutagenic
+Cc1cn(CC(CN=N#N)O)c(=O)nc1OC,mutagenic
+[O-][N+](=O)NC,non-mutagenic
+CC(=CCC1CCCC1=O)C,non-mutagenic
+Fc1ccc2c(c1F)cccn2,mutagenic
+Nc1cc(C(=O)O)c(c(c1)S(=O)(=O)O)O,non-mutagenic
+CC(c1ccc(cc1)O)(c1ccc(cc1)O)C,non-mutagenic
+Cc1c(C)c2ccccc2c2c1c(N)c1ccccc1n2,mutagenic
+O=CC1C(=CCC2C1(C)C(OC(=O)C)CC1C2(C)CCC2C1(C)CCCC2(C)C)C=O,non-mutagenic
+ClCCSCc1ccccc1,mutagenic
+ONc1cc(C)cc(c1)C,mutagenic
+Fc1cnc2c(c1)c(N)ccc2,mutagenic
+ClCCN(c1ccc(cc1)CCCNc1c2ccccc2nc2c1cccc2)CC,mutagenic
+C1CNCCO1,non-mutagenic
+Cc1ccc(cc1)N=Nc1c(O)ccc2c1cccc2,non-mutagenic
+O=Nc1cc2c(c3c1cccc3)ccc1c2cccc1,mutagenic
+S=C=Nc1cccc2c1cccc2,mutagenic
+CNC(=O)Oc1cc2ccccc2c2c1cccc2,mutagenic
+Oc1cc2C[C@@]3([C@@H](c2cc1O)c1ccc(c(c1OC3)O)O)O,non-mutagenic
+c1ccc2c(c1)cc1c(c2)c2ccccc2c2c1cccc2,mutagenic
+Clc1ccc(c(c1)Cl)S(=O)(=O)n1ncc(c(c1=O)Cl)Cl,non-mutagenic
+OC(COc1ccc(cc1)NC(=O)C)CNC(C)C,non-mutagenic
+O=C(C(=C)C)OCC(COC(=O)C(=C)C)(C)C,non-mutagenic
+OCC1OC(OC23C=C(C)C4(C(C3C(=O)C(C2)(C)C)(C)O)CC4)C(C(C1OC(=O)/C=C/c1ccc(cc1)O)O)OC(=O)C,mutagenic
+CO/C(=C\C(=O)O)/C(=O)C(=C)C,mutagenic non-mutagenic
+O=C1CCc2c1c1c(cc2)ccc2c1cccc2,non-mutagenic
+CCCCOCCCC,non-mutagenic
+CCNC(=N)N([N+](=O)[O-])N=O,mutagenic
+CNc1ccc2c(c1C)nc(cn2)c1ccccc1,mutagenic
+CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC,non-mutagenic
+Cn1cnc2c1c(=O)n(C)c(=O)n2C,non-mutagenic
+CN1CCc2c3C1C(O)c1ccccc1-c3c1c(c2)OCO1,mutagenic
+CC(=C)C,non-mutagenic
+O=c1cc(C)c2c(o1)c1OC3(C(c1cc2)(C)OO3)C,mutagenic
+O=Cc1ccc(cc1)Cl,non-mutagenic
+CCCC(=O)OCc1ccc(cc1)[N+](=O)[O-],mutagenic
+O=C(C(Br)C)NC(C)(C)C,non-mutagenic
+OC1CCC2(C(=CCC3C2CCC2(C3CC3C2C(C)C2N3CC(CC2)C)C)C1)C,non-mutagenic
+Oc1cccc2c1ccc1c2c2c([nH]1)cc(c1c2cccc1)[N+](=O)[O-],mutagenic
+OC1C=Cc2c(C1O)cc1c3c2-c2ccccc2-c3cc2c1cccc2,mutagenic
+Oc1cc2ccc3c4c2c(c1)ccc4cc1c3cccc1,mutagenic
+Oc1c2-c3ccccc3-c3c2c2c4c1cccc4ccc2cc3,non-mutagenic
+NNC(=O)c1[nH]c2c(c1N)cccc2,mutagenic
+CCN(CCNc1ccc2c3c1c(=O)c1cc(O)ccc1n3cn2)CC,mutagenic
+C[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C,non-mutagenic
+CCN(c1cc(NC(=O)C)c(cc1OC)N=Nc1c(Br)cc(cc1[N+](=O)[O-])[N+](=O)[O-])CC,mutagenic
+CC(=O)OCC12CCC(=CC1OC1C3(C2(C)C(OC(=O)C)C1O)CO3)C,non-mutagenic
+CCN(CCCN(C1Cc2c(C1)cccc2)c1ccccc1)CC,non-mutagenic
+CCOP(=S)(Oc1ccc2c(c1)oc(=O)c(c2C)Cl)OCC,non-mutagenic
+Clc1cc(Cl)c(cc1Cl)Cl,non-mutagenic
+Nc1ccc2c(c1)[nH]c1c2cccc1,mutagenic
+N[C@@H](c1ccccc1)C(=O)N[C@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C,non-mutagenic
+[O-][N+](=O)c1ccc2c(c1)ccc1c2cc2ccc3c(c2c1)cccc3,mutagenic
+CC(=C)C1CO1,non-mutagenic
+CCn1cc(C(=O)O)c(=O)c2c1nc(N1CCNCC1)c(c2)F,mutagenic
+O=C1c2ccccc2-c2c1c1ccccc1cc2,non-mutagenic
+C[C@]12CC[C@H](CC1)C(O2)(C)C,non-mutagenic
+CCN(C(=S)SSC(=S)N(CC)CC)CC,non-mutagenic
+CN1C(=O)CN=C(c2c1ccc(c2)[N+](=O)[O-])c1ccccc1F,mutagenic
+BrCC(=O)c1oc(c(c1Cl)Cl)[N+](=O)[O-],mutagenic
+Oc1cc(C)c2c(c1)oc(=O)c1c2cc(O)cc1O,non-mutagenic
+CN(c1[nH]cnc2-c1ncn2)C,mutagenic
+ClC(C(C(F)(F)F)(F)F)Cl,non-mutagenic
+O=C(NS(=O)(=O)c1ccc(cc1)C)NN1CCCCCC1,non-mutagenic
+Nc1cccc2c1nc1cccc(c1n2)N,mutagenic
+ClCCN(C(=O)NCc1cnc(nc1N)C)N=O,mutagenic
+CC(=O)Nc1ccc2c3c1ccc1c3c(cc2)ccc1,mutagenic
+C1=C[C@H]2[C@@H](C1)[C@@H]1C=C[C@H]2C1,non-mutagenic
+COCCOCCOCCOC,mutagenic
+OCC1OC(OC2CCC3(C(=CCC4C3CCC3(C4CC4C3C(C)C(O4)(OC)CCC(COC3OC(CO)C(C(C3O)O)O)C)C)C2)C)C(C(C1OC1OC(C)C(C(C1O)O)O)O)OC1OC(C)C(C(C1O)O)O,non-mutagenic
+COC(=O)C(CSCCCl)N,mutagenic
+c1ccc(cc1)N=Nc1ccccc1,mutagenic
+Nc1ccccc1Cl,non-mutagenic
+ClCCOP(=O)(OCCCl)OCCCl,non-mutagenic
+OC(=O)[C@H]1[C@H]2[C@]3([C@@H]4[C@]51CC(=C)[C@](C5)(O)CC4)C=C[C@@H]([C@@]2(C)C(=O)O3)O,non-mutagenic
+CCC1=C(CC2NCCc3c2cc(OC)c(c3)OC)CC2N(C1)CCc1c2cc(c(c1)OC)OC,non-mutagenic
+Clc1ccc2c(c1)c1ccccc1o2,mutagenic
+OC(=O)COc1ccc(cc1Cl)Cl,non-mutagenic
+CCn1cc(C(=O)O)c(=O)c2c1nc(C)cc2,non-mutagenic
+CCCCCCCCOc1ccc(cc1)C(=O)O,non-mutagenic
+ClCCl,mutagenic
+Cc1cccc2c1-c1cc3ccccc3cc1C1C2N1,mutagenic
+N#CCc1cn(c2c1cccc2)N=O,mutagenic
+CC(CC(=O)C)C,non-mutagenic
+OC(=O)COc1ccc(cc1)Cl,non-mutagenic
+COc1ccc(cc1)c1nc(c([nH]1)c1ccc(cc1)OC)c1ccc(cc1)OC,mutagenic
+ClC(=O)c1ccc(cc1)C(=O)Cl,mutagenic
+CCCCCCCCC(=O)OCC=C,non-mutagenic
+Clc1cccc(c1)C(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)c1cccc(c1)Cl,mutagenic
+OC(=O)c1cccc(c1N)O,non-mutagenic
+ClC1c2cc3ccccc3c3c2c2c1cccc2cc3,mutagenic
+COC(=O)c1nc(c2ccc3c(n2)C(=O)C=CC3=O)c2c(c1)c1ccccc1[nH]2,mutagenic
+c1ccc2c(c1)ccc1c2cccn1,mutagenic
+ClCCN(CCCNc1c2ccc(cc2nc2c1nc(OC)cc2)Cl)CC,mutagenic
+C[C@H](C[N+](NC(=O)C(=C)C)(C)C)O,non-mutagenic
+ClCC(OP(=O)(OC(CCl)CCl)OC(CCl)CCl)CCl,mutagenic
+COc1cc2cccnc2c(c1)[N+](=O)[O-],mutagenic
+[O-][N+](=O)C(CC)CCOCN1C=CN(C1/C=N/O)C,non-mutagenic
+CN(CCN(c1ccccn1)Cc1cscc1)C,non-mutagenic
+CCOC(=O)C(=O)C,non-mutagenic
+Clc1ccc(cc1)Br,non-mutagenic
+CCC(=O)C,non-mutagenic
+COC(=O)C1c2cc3c(c(c2C(CC1(O)CC)OC1OC(C)C(C(C1)N(C)C)OC1CC(O)C(C(O1)C)OC1CC(O)C(C(O1)C)O)O)C(=O)c1c(C3=O)c(O)ccc1O,mutagenic
+O=C1CCc2c(O1)cccc2,non-mutagenic
+N#C/C=C\C#N,non-mutagenic
+Brc1ccc(cc1)C(=O)C1OC1c1ccccc1,non-mutagenic
+OC[C@@H](CI)O,mutagenic
+CCCCC[C@H](OC(=O)c1cccc(c1)C(=O)O[C@@H](CCCCC)CC)CC,non-mutagenic
+COC(=O)[C@@]1(O[C@@]1(C)[C@@H](C(C)C)O)C(=O)N,mutagenic
+Cc1cccc(c1)NS(=O)(=O)c1cccc2c1nccc2,non-mutagenic
+c1ccc2c(c1)Oc1c(O2)cccc1,non-mutagenic
+[O-][N+](=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-],mutagenic
+Cc1cccc2c1ccc1c2cccc1,mutagenic
+Cc1ccc(c(c1)C)N=Nc1c2ccc(cc2cc(c1O)S(=O)(=O)O)S(=O)(=O)O,mutagenic
+OOCc1cn(C2CC(C(O2)CO)O)c(=O)[nH]c1=O,mutagenic
+OCc1c2cc(C)ccc2nc2c1ccc1c2cccc1,mutagenic
+OC(=O)c1ccccc1N,non-mutagenic
+OCC(=O)C1(O)CC(OC2CC(N)CC(O2)C)c2c(C1)c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2OC,mutagenic
+[O-][N+](=O)c1cccc(c1O)N,non-mutagenic
+COc1c(O)cc2c3c1-c1ccccc1CC3N(CC2)C,mutagenic
+CC1(C)C2CC3C(C1C2)(C)O3,non-mutagenic
+[O-][N+](=O)c1ccc2c(c1)n(C)c1c2cccc1,mutagenic
+CC(=O)Nc1ccc2c(c1)cccn2,mutagenic
+Oc1cccc2c1C(=O)c1cccc(c1C2=O)O,mutagenic
+OC(=O)C1CC(N(C1(C)C)O)(C)C,non-mutagenic
+OCCN(c1ccc(cc1)N=Nc1ccc(nc1)N(CCO)CCO)CCO,non-mutagenic
+CCCCCN(CCCCC)CCCCC,non-mutagenic
+COc1cc(OC)c2c(c1)OC1C2C2OC2O1,mutagenic
+Clc1nncc2c1nccc2,mutagenic
+CC(CCCCCOC(=O)c1ccccc1C(=O)OCCCCCC(C)C)C,non-mutagenic
+Cc1cccc(c1)C,non-mutagenic
+O[C@@H](COc1cccc2c1cccc2)CNC(C)C,non-mutagenic
+OCc1ccc2c(c1)nc1c(c2CO)ccc2c1cccc2,non-mutagenic
+Clc1ccc(c(c1)[N+](=O)[O-])N,mutagenic
+[O-][N+](=O)c1ccc(o1)/C=C/C(=O)NCCCCC,mutagenic
+BrCc1ccc(cc1)CBr,non-mutagenic
+O=CNc1ccc(cc1)Oc1ccc(cc1Cl)Cl,mutagenic
+OCC(=O)[C@@]1(O)[C@H](C)CC2[C@]1(C)C[C@H](O)[C@]1(C2CCC2=CC(=O)C=C[C@]12C)F,non-mutagenic
+Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(O)nc2c1cccc2,non-mutagenic
+Clc1nncc2c1cncc2,non-mutagenic
+Sc1ccccc1,non-mutagenic
+Clc1cccnc1,non-mutagenic
+Clc1ccc(cc1)SCc1ccc(cc1)Cl,non-mutagenic
+C/C(=N/O)/C(=O)C,non-mutagenic
+BrCBr,mutagenic
+NCCCN(CC)CC,non-mutagenic
+N#C/C(=C\C(C(C(c1ccc(cc1)F)C#N)c1ccccc1)C)/c1ccc(cc1)F,non-mutagenic
+COc1c(Cl)c(Cl)c(c(c1Cl)Cl)[N+](=O)[O-],non-mutagenic
+O=C1C=C(N2CC2)C(=O)c2c1[nH]c(C)c1-c2nc2c1cccc2,mutagenic
+CC(C(CBr)Br)Cl,mutagenic
+[O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1O)[N+](=O)[O-])O,non-mutagenic
+CN(c1nc(nc(n1)N(C)C)N(C)C)C,non-mutagenic
+C1CCCCC1,non-mutagenic
+OCC(C(C(C1SCCN1N=O)O)O)O,non-mutagenic
+CN(CCO[C@](c1ccccn1)(c1ccccc1)C)C,non-mutagenic
+c1ccc2-c3cc4c(nc3C3C(c2c1)O3)ccc1c4cccc1,mutagenic
+Cc1ccc(cc1)N=NN(C)C,mutagenic
+C=C[C@@](OC(=O)c1ccccc1N)(CCC=C(C)C)C,non-mutagenic
+Oc1ccc2c3c1ccc1c3c(cc2)c(cc1)[N+](=O)[O-],mutagenic
+O=NN(Cc1cccc(c1)C#N)C,mutagenic
+c1nccs1,mutagenic
+Cc1cc2cccc3-c4c(-c(c1)c23)cc1ccccc1c4,mutagenic
+Clc1ccncc1,non-mutagenic
+C[C@H](COC[C@H](O)C)O,non-mutagenic
+CC(=O)Nc1ccc2-c3c(Cc2c1OC(=O)c1ccccc1)cccc3,non-mutagenic
+O=C1CCc2c1c(C)c(C)c1c2ccc2c1cccc2,mutagenic
+NC[C@H](N)C,non-mutagenic
+CCC(=C)C(=O)c1ccc(c(c1Cl)Cl)OCC(=O)O,non-mutagenic
+OC1C=Cc2c(C1O)c(Br)c1c(c2)c2ccccc2cc1,non-mutagenic
+OC(=O)c1cc(c(cc1NCc1ccco1)Cl)S(=O)(=O)N,non-mutagenic
+Oc1cccc2c1c1cc3ccccc3cc1c1c2cccc1,non-mutagenic
+OCC1OC(OC(C(C(=O)NC(C(C(C(=O)NC(C(=O)NCCc2scc(n2)c2scc(n2)C(=O)NCCCN(CCCNC(=N)CC2CCC(CC2)Cl)C)C(O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)C(C(=O)N)CNCC(C(=O)N)N)c2c[nH]cn2)C(C(C1O)O)OC1OC(CO)C(C(C1O)OC(=O)N)O,mutagenic
+CC[N+](=C1C=CC(=C(c2ccc(cc2S(=O)(=O)O)O)c2ccc(cc2)N(Cc2cccc(c2)S(=O)(=O)O)CC)C=C1)Cc1cccc(c1)S(=O)(=O)O,non-mutagenic
+Fc1cccc2c1cccn2,mutagenic
+Clc1ccc(c(c1)N)C,non-mutagenic
+O1CCOCCOCCOCCOCCOCCOCC1,non-mutagenic
+OC(COc1ccccc1C1CCCC1)CNC(C)(C)C,mutagenic
+S1CC1,mutagenic
+C1OC(=O)C=C1,non-mutagenic
+O=NN(C1OCC(C(C1O)O)O)CCc1c[nH]c2c1cccc2,mutagenic
+NNC(=O)CN(c1ccc2c(c1)cccc2)C,non-mutagenic
+COc1nsc2c1ccc(c2)[N+](=O)[O-],mutagenic
+CC/C(=C(\c1ccc(cc1)OP(=O)(O)O)/c1ccc(cc1)OCCN(C)C)/c1ccc(cc1)C(C)C,non-mutagenic
+[O-][N+](=Nc1ccc2-c3c(Cc2c1)cccc3)c1ccc2-c3c(Cc2c1)cccc3,non-mutagenic
+CCC(=O)C(=O)C,non-mutagenic
+CCCCC#N,non-mutagenic
+ON(c1ccc(cc1)Br)C(=O)C,non-mutagenic
+ONc1c(C)cccc1C,mutagenic
+Cc1cc(O)c(c(=O)o1)C(=O)C,non-mutagenic
+c1ccc2-c3c([C@H]4[C@@H](c2c1)O4)ccc1c3cccc1,mutagenic
+CC(C[C@H](Nc1ccc(cc1)Nc1ccccc1)C)C,non-mutagenic
+BrCc1c2ccc3c(c2cc2c1cccc2)cccc3,mutagenic
+C1Cc2c(C1)c1ccc3c(c1cc2)cccc3,non-mutagenic
+CC(C1CCC2(CC1)OC2)(C)C,non-mutagenic
+[O-][N+](=O)c1ccc2c(c1)cccc2C,mutagenic
+COc1cc(cc(c1OC)OC)C1OCC2C1COC2c1cc(OC)c(c(c1)OC)OC,non-mutagenic
+CCC(COC(=O)c1ccccc1C(=O)O)CCC(O)C,non-mutagenic
+CC1c2ccccc2-c2c1cc(C)c(c2)C,mutagenic
+Cc1c2ccccc2c(c2c1cccc2)C,mutagenic
+OC(=O)Cc1c[nH]c2c1cc(O)cc2,non-mutagenic
+N#CSCSC#N,non-mutagenic
+Nc1nc(C)c2c(c1C)[nH]c1c2cccc1,mutagenic
+[O-][N+](=O)c1cccc2c1nc1cccc(c1n2)[N+](=O)[O-],non-mutagenic
+[N-]=[N+]=NC[C@H](Cn1cnc2c1ncnc2N)O,mutagenic
+COc1ccc(cc1)/C=C/c1ccc(cc1)N,mutagenic
+OC1C(O)C(OC(C1O)C(=O)O)Oc1c2ccccc2c2c3c1ccc1c3c(cc2)ccc1,non-mutagenic
+Oc1ccc2c(c1)c1c(cc2)[nH]c2c1c1ccccc1c(c2)[N+](=O)[O-],mutagenic
+O=C(c1ccccc1)ON=C1C=CC(=NOC(=O)c2ccccc2)C=C1,mutagenic
+O=C1c2ccccc2-c2c3c1nccc3cc1c2OCO1,mutagenic
+BrCC#C,mutagenic
+Cc1ccncc1,non-mutagenic
+NCCC(N)C,non-mutagenic
+CCCC(C(=O)O)CCC,non-mutagenic
+CC(=O)Oc1cc([N+](=O)[O-])c2c3c1ccc1c3c(cc2)ccc1,mutagenic
+CCSCCOP(=S)(OC)OC,non-mutagenic
+CC(COS(=O)(=O)c1ccccc1)C,mutagenic
+N#N=NCCC(c1ccccc1)c1ccccc1,mutagenic
+[O-][N+](=O)c1ccc2c(c1)cccc2,mutagenic
+CN1CCN(CC1)c1c(F)cc2c3c1OCN(n3cc(c2=O)C(=O)O)C,mutagenic
+CCNC(=S)NCC,non-mutagenic
+CCCC[C@H](CO)CC,non-mutagenic
+Oc1ccc(cc1)OP1(Oc2ccc(cc2)O)NP(Oc2ccc(cc2)O)(Oc2ccc(cc2)O)NP(N1)(Oc1ccc(cc1)O)Oc1ccc(cc1)O,non-mutagenic
+ClCCNC(=O)Sc1[nH]cnc2-c1ncn2,mutagenic
+CCCCCCCCCCCCC=C,non-mutagenic
+N#CC(=C1C=C(/C=C/c2ccc(cc2)N(C)C)OC(=C1)C)C#N,mutagenic
+O=C(c1[nH]c2c(c1N)cccc2)N/N=C/c1ccccc1,non-mutagenic
+CCOC1=CC(c2ccccc2)(c2ccccc2)N(c2c1cccc2)O,non-mutagenic
+CN(CCCNc1c2ccccc2nc2c1c(ccc2C)[N+](=O)[O-])C,mutagenic
+[O-][N+](=O)c1cccc2c1[nH]c1c2cccc1,mutagenic
+CCON(C(=O)c1ccccc1)OC(=O)C,mutagenic
+Nc1cccc2c1cc1ccccc1n2,mutagenic
+O=c1oc2cccc3c2c2c1cc1ccccc1c2cc3,mutagenic
+Brc1ccc(cc1)NC(=O)c1cc(Br)cc(c1O)Br,non-mutagenic
+O=Cc1ccccc1,non-mutagenic
+CCCCCCCCCCCC=C,non-mutagenic
+CC(CN(CC(O)C)CCN(CC(O)C)CC(O)C)O,non-mutagenic
+CC(c1ccc2c(c1)c(=O)c1c(o2)nc(c(c1)C(=O)O)N)C,non-mutagenic
+CC(=O)OCc1ccccc1,non-mutagenic
+OCCNc1ccc(cc1)N=Nc1ccc(cc1)NCCO,mutagenic
+COc1ccc(cc1)N=Nc1ccc(cc1)N(C)C,mutagenic
+COC(=O)c1ccccc1C(=O)OC,non-mutagenic
+BrCc1cccc(c1)CBr,non-mutagenic
+c1ccc(cc1)[Se][Se]c1ccccc1,mutagenic
+Clc1cccc(c1O)Cl,non-mutagenic
+Cc1cc2cc3ccccc3cc2c2c1cccc2,mutagenic
+ClC(C(=O)N1CCN(C1=O)c1ncc(s1)[N+](=O)[O-])Cl,mutagenic
+OC(CO)CN=N#N,mutagenic
+Nc1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])C,mutagenic
+CCc1ccc2-c3c(-c4c2c1ccc4)cccc3,non-mutagenic
+O=C1CCc2c1cc(c1c2ccc2c1cccc2)C(F)(F)F,mutagenic
+O=C1NC(=O)[C@@H]2[C@H]1CC=CC2,non-mutagenic
+CN1CCC[C@@H]1c1cccnc1,non-mutagenic
+Oc1cc(O)c2c(c1)oc1c(c2=O)cc(cc1)O,mutagenic
+NC(=S)c1c(Cl)cccc1Cl,mutagenic
+CC(=O)N(c1snc2c1cccc2)C,non-mutagenic
+c1ccc(cc1)/C=N/c1snc2c1cccc2,non-mutagenic
+c1cc(OCC2CO2)c2c(c1)cns2,mutagenic
+OCNC(=O)NCO,mutagenic
+OC1C(O)C(O)COC1N(c1ccc(cc1)C)N=O,mutagenic
+CN(c1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],mutagenic
+CCNCC,non-mutagenic
+C1O[C@H]1C=O,mutagenic
+COc1cc(ccc1NC(=O)C)NC(=O)C,non-mutagenic
+CC(c1ccc(cc1)OC[C@@H]1OC1)(c1ccc(cc1)OC[C@@H]1OC1)C,mutagenic
+[O-][N+](=O)c1ccc2-c3c4c(-c2c1)cc1ccccc1c4ccc3,mutagenic
+CN([C@H]1C(=O)C(=C([C@]2([C@H]1[C@H](O)[C@H]1C(=C2O)C(=O)c2c([C@]1(C)O)cccc2O)O)O)C(=O)N)C,non-mutagenic
+CC1(CO1)C1CO1,mutagenic
+ClCc1ccc(cc1)C,non-mutagenic
+COC1=CC(=O)C=C/C/1=N\c1c2ccccc2nc2c1cccc2,non-mutagenic
+CN1CCC2OC(=O)C3(OC3C)CC(C(C(=O)OCC(=CC1)C2=O)(C)O)C,mutagenic
+CC(c1ccccc1)(OOC(c1ccccc1)(C)C)C,non-mutagenic
+OC[C@@H](CBr)Br,mutagenic
+Nc1ccc(c(c1)O)[N+](=O)[O-],mutagenic
+ClCc1ccc2c3c1-c1ccccc1-c3ccc2,mutagenic
+Oc1ccc(cc1)N=Nc1ccc(cc1)c1ccc(cc1)N=Nc1c(N)c2c(cc1S(=O)(=O)O)cc(c(c2O)N=Nc1ccccc1)S(=O)(=O)O,mutagenic
+Nc1ccc2c(c1)nc1c(n2)cccc1,mutagenic
+O[C@H](C(=O)c1ccccc1)c1ccccc1,non-mutagenic
+OCCOC(=O)C=C,non-mutagenic
+CC(=O)CCC(=O)C,non-mutagenic
+[O-][N+](=O)c1cccc2c1cccc2C,mutagenic
+OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC(=O)[C@@]34CC[C@H]([C@@H]([C@H]4C4=CC[C@H]5[C@@]([C@@]4(CC3)C)(C)CC[C@@H]3[C@]5(C)C[C@H]([C@@H]([C@@]3(C)CO)O)O)C)C)[C@@H]([C@H]([C@@H]2O)O)O)[C@@H]([C@H]([C@@H]1O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O)O,non-mutagenic
+O=NN(Cc1ccccc1)Cc1ccccc1,non-mutagenic
+COc1ccc(cc1N)NOS(=O)(=O)O,mutagenic
+O1CCN(CC1)Sc1nc2c(s1)cccc2,non-mutagenic
+CC[C@]1(OCCc2c1n(C)c1c2cccc1)CC(=O)O,non-mutagenic
+NC(C(S)(C)C)C(=O)O,mutagenic
+O[C@@H](COc1cccc2c1OC[C@H](C2)O[N+](=O)[O-])CNC(C)C,non-mutagenic
+O=C1CCCCC1,non-mutagenic
+ClCCNC(=O)N(CCCl)N=O,mutagenic
+c1ccc2-c3ncsc3CCc2n1,non-mutagenic
+COC(=O)/C(=C(/c1ccc(cc1Cl)Cl)\OP(=O)(OC)OC)/Br,non-mutagenic
+O=C(c1ccccc1)Nc1ccc2-c3c(Cc2c1)cccc3,mutagenic
+CC(c1ccccc1)Cl,non-mutagenic
+CN(CCNC(=O)c1cccc2c1Nc1ccccc1O2)C,mutagenic
+N1CCc2c(C1)cccc2,non-mutagenic
+CCCCc1cc(C)cc(c1O)CCCC,non-mutagenic
+C1CCC2C(C1)c1ccccc1CC2,non-mutagenic
+CC(CC1NC(=O)C(C)N(C)C(=O)CNC(=O)/C(=C\c2ccccc2)/N(C1=O)C)C,non-mutagenic
+COC(=O)C(NC(=O)C)CSCC(Br)C,mutagenic
+OCCN(c1ccc(c(c1)C)N=Nc1cccnc1)CCO,non-mutagenic
+CN(CCNC(=O)c1cccc2c1nc1ccccc1c2N)C,mutagenic
+ONc1ccc(c(c1)[N+](=O)[O-])C,non-mutagenic
+COc1cc(C=C)ccc1O,non-mutagenic
+CCc1cccc2c1oc(c2)[C@@H](CNC(C)(C)C)O,non-mutagenic
+CCCCC(COC(=O)c1ccc(cc1)N(N=O)C)CC,non-mutagenic
+COP(=O)(OC)O,non-mutagenic
+[O-][N+](=O)c1ccccc1C(=O)C,non-mutagenic
+Nc1ccc(cc1)c1nc2c(s1)cc(cc2)C,mutagenic
+OC(c1c(C)cccc1[N+](=O)[O-])O,mutagenic
+Clc1ccc2c(c1)C(=NCC(=O)N2C)c1ccccc1,non-mutagenic
+Oc1[nH]nc2c1cccc2,non-mutagenic
+CN1CCNCC1,non-mutagenic
+O=c1c2ccc3c4c2c(c2n1c1ccccc1n2)ccc4c(=O)n1c3nc2c1cccc2,mutagenic
+c1ccc2c(c1)ccc1c2ccc2c1ccnc2,mutagenic
+[O-][N+](=O)c1cc(cc(c1Nc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],mutagenic
+Cc1ccc2c(c1)cccc2,non-mutagenic
+[O-][N+](=O)c1ccc2-c3ccccc3CCc2c1,mutagenic
+CCCCCCCCCCCCCC(=O)ON(c1ccc2-c3c(Cc2c1)cccc3)C(=O)C,mutagenic
+CCCCOC(=O)c1ccccc1C(=O)OCc1ccccc1,non-mutagenic
+OCN=N,mutagenic
+CN(C)C,non-mutagenic
+NC1CCCCC1,non-mutagenic
+CCc1ccc(cc1)C(c1ccc(cc1)CC)C(Cl)Cl,mutagenic
+CCN(C(=S)SSCC(C(=O)O)NC(=O)C)CC,non-mutagenic
+COc1cc(Cc2cnc(nc2N)N)cc(c1OC)OC,non-mutagenic
+O=C(c1ccccc1)Nc1cccc2c1C(=O)c1ccc3c(c1C2=O)[nH]c1c3cc(c2c1C(=O)c1ccccc1C2=O)NC(=O)c1ccccc1,non-mutagenic
+C(C1OC1)CC1OC1,mutagenic
+CCCCCN(CCCCO)N=O,mutagenic
+CC(=O)Nc1ccc(cc1)[N+](=O)[O-],non-mutagenic
+Clc1ccc2c(c1)cc1c(c2)cccc1,mutagenic
+[O-][N+](=O)[CH-]CCCC,non-mutagenic
+Cc1cc2c(nc1N)[nH]c1c2cccc1,mutagenic
+COc1ccc(cc1)CN(c1ncccn1)CCN(C)C,non-mutagenic
+CC(C(=O)N)Br,mutagenic
+Nc1cc2ccc3c4c2c(c1)ccc4ccc3,mutagenic
+NC(=N)N,non-mutagenic
+OC1C=Cc2c(C1O)cc1c3c2ccc2c3c(cc1)ccc2[N+](=O)[O-],mutagenic
+NC(=O)CI,non-mutagenic
+Nc1cc(N)c(c(c1)[N+](=O)[O-])C,mutagenic
+CC(CNC(=O)/C=C/c1ccc(o1)[N+](=O)[O-])C,mutagenic
+CCCn1cc2c3c1cccc3C1C(C2)N(C#N)CC(C1)C,mutagenic
+O=Nc1cccc(c1)C,non-mutagenic
+COC(=O)Nc1[nH]c2c(n1)cc(cc2)C(=O)c1ccccc1,mutagenic
+OCC1=C[C@@H]2CC(C[C@H]2[C@]2([C@]1(C=O)C2)C)(C)C,mutagenic
+OC(=O)c1occ(c1c1ccccc1)c1ccccc1,non-mutagenic
+O=C(c1ccccc1)Nc1snc2c1cccc2,mutagenic
+[O-][N+](=O)c1ccc(cc1)Oc1ccccc1,mutagenic
+CC(C(=O)O)Oc1cc(Cl)c(cc1Cl)Cl,non-mutagenic
+O=C(OC(C)(C)C)Sc1nc(C)cc(n1)C,non-mutagenic
+Fc1ccc(c2c1ccc1c2nccc1)F,mutagenic
+CCOC(=O)CBr,mutagenic
+Cc1ccc(cc1)O,non-mutagenic
+COc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],mutagenic
+Cc1cccc2c1c1cc3ccccc3cc1cc2,mutagenic
+[O-][N+](=O)c1cc(ccc1n1cnc2c1ncnc2N)[N+](=O)[O-],mutagenic
+Cc1c2ccccc2c(c2c1cccc2)[C@@H]1CO1,mutagenic
+CN(c1ccc(cc1)N)C,mutagenic
+N1[C@@H]([C@H]1c1ccccc1)c1ccccc1,mutagenic
+COc1ccc(c2c1nc1ccccc1c2NCCCN(C)C)[N+](=O)[O-],mutagenic
+[O-][N+](=O)c1c(N)ccc2c1c1ccccc1[nH]2,mutagenic
+CCCCN(CCO)N=O,mutagenic
+O=CC=O,mutagenic
+O=C1C=Cc2c(C1=O)ccc1c2cc2ccccc2c1,non-mutagenic
+OC(=O)C(=O)O,non-mutagenic
+CC[C@H](Nc1ccc(cc1)N[C@@H](CC)C)C,non-mutagenic
+O=C1CCc2c1cc(C)c1c2ccc2c1cccc2,mutagenic
+O=CCCCC=O,mutagenic
+OCC(=O)[C@@]1(O)C[C@H](O[C@H]2C[C@H](N)[C@H]([C@@H](O2)C)O)c2c(C1)c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2,mutagenic
+NC(=O)OCc1ncc(n1C)[N+](=O)[O-],mutagenic
+OCC1(CO1)C12OC2C2(C(=CC1=O)CCC(C2C)O)C,mutagenic
+ClCCN(CCCl)C,mutagenic
+O=C1C=CC(=O)c2c1cccc2,mutagenic
+OC(=O)Cc1cccc2c1cccc2,non-mutagenic
+O=C1CCC2(C(=C1)C1CC1C1C2CCC2(C1C1CC1C12CCC(=O)O1)C)C,non-mutagenic
+CNc1ccc2c(c1N)nc(cn2)C,non-mutagenic
+CN(C(=S)SSC(=S)N(C)C)C,mutagenic
+OCc1ccccc1,non-mutagenic
+Oc1c2c(ccc3c2OCCO3)nc2c1cccc2,mutagenic
+OCCCNC(=O)C(C(CO)(C)C)O,non-mutagenic
+BrCC(C)(C)C,non-mutagenic
+CCCCN([C@H](OC(=O)C)CCC)N=O,mutagenic
+OC1C2OC2c2c(C1O)cccn2,non-mutagenic
+c1ccc2c(c1)c(ccc2)CC1CO1,mutagenic
+CC(=O)Nc1cnc2c(c1)cccc2,non-mutagenic
+CCC(=O)n1ncc(c(c1=O)Cl)Cl,non-mutagenic
+Clc1nncc2c1cccc2,non-mutagenic
+Cc1ccc(c(c1)[N+](=O)[O-])N,mutagenic
+CCN(c1ccc(cc1)N)CC,mutagenic
+CC1CCCC1,non-mutagenic
+Cc1cc(O)c2c(c1)C(=O)C(=CC2=O)c1c(C)cc2c(c1O)C(=O)C=CC2=O,non-mutagenic
+O[C@H]1C=Cc2c([C@@H]1O)c1ccc3c4c1c(c2)ccc4c(cc3)[N+](=O)[O-],mutagenic
+c1ccc2c(c1)ccc1-c3c4c(-c21)cccc4ccc3,mutagenic
+CC/C=C/C=C/C=C/C=C/C=C/SCC(CO)O,non-mutagenic
+COc1cc(ccc1OC)c1nc(c([nH]1)c1ccccc1)c1ccccc1,mutagenic
+O=NN1CCSC1C(C(C(C(O)C)O)O)O,non-mutagenic
+CCCCOCCOC(=O)COc1ccc(cc1Cl)Cl,non-mutagenic
+CC(=CC1C(C1(C)C)C(=O)O)C,non-mutagenic
+Clc1cc(Cl)c(c(c1Cl)O)Cl,non-mutagenic
+COP(=O)(NC(=O)C)SC,non-mutagenic
+c1cnc2c(c1)ccc1c2cccn1,mutagenic
+COC(=O)COc1ccc(cc1Cl)Cl,non-mutagenic
+Oc1cccc2c1c(O)c1c(c2)cccc1O,non-mutagenic
+OC(=O)c1cccnc1Nc1cccc(c1)C(F)(F)F,non-mutagenic
+O=NN1CCNCC1,mutagenic
+BrCc1ccc2-c3c(-c4c2c1ccc4)cccc3,mutagenic
+CC(Cl)Cl,non-mutagenic
+[O-][N+](=O)c1ccc(o1)/C=N/N1CCCNC1=O,mutagenic
+O=C/C=C\c1ccccc1OC,mutagenic
+CCNc1snc2c1cccc2,non-mutagenic
+O=C1C=Cc2c(C1=O)ccc1c2c(C)c2ccccc2c1C,non-mutagenic
+CC(NCC(c1ccc(cc1)NS(=O)(=O)C)O)C,non-mutagenic
+CCOC(=O)Cc1c(C(=O)O)c2c(n1C)cccc2,non-mutagenic
+C=C[C@H](c1ccc(cc1)OC)OC(=O)C,mutagenic
+C/C=C/c1cc2OC(C)C(C(=O)c2c(=O)o1)O,non-mutagenic
+CC(=O)C(=O)C,mutagenic
+CC(=O)Nc1cc2Cc3c(-c2cc1Cl)cccc3,mutagenic
+OC(=O)/C=C\C(=O)O,non-mutagenic
+O=C1CCCC2=C1C(C)(C)C(C2(C)C)C,non-mutagenic
+ClCCCBr,mutagenic
+O=c1cc(n(n1c1ccccc1)C)C,non-mutagenic
+CC1(O)C=Cc2c3C1(O)CCc3c1c(c2)c2ccccc2cc1,mutagenic
+Cc1cc(C)cc(c1)O,non-mutagenic
+Clc1c(Cl)cnn(c1=O)S(=O)(=O)C,mutagenic
+C1CCC(CC1)NSc1nc2c(s1)cccc2,non-mutagenic
+OCC1NC(Cc2c1[nH]c1c2cccc1)C(=O)O,non-mutagenic
+COC(=O)C1=C(C)C(OC1=O)(C)O,non-mutagenic
+Nc1scc(n1)/C=C\c1ccc(o1)[N+](=O)[O-],mutagenic
+CN(CCNC(=O)c1cccc2c1nc1ccccc1c2)C,mutagenic
+Clc1cc(Cl)cc(c1)Cl,non-mutagenic
+CCOP(=S)(SCCl)OCC,non-mutagenic
+Oc1cnc2c(c1)cccc2,non-mutagenic
+CCCCCO,non-mutagenic
+OCc1ccc2c(c1)c(C)c1c(n2)c2C=CC(C(c2cc1)O)O,mutagenic
+Oc1ccc2c(c1)cc[nH]2,non-mutagenic
+COC1=C(CC)C(=O)c2c(C1=O)c(O)c(c(c2O)OC)OC,non-mutagenic
+CC(=O)NS(=O)(=O)c1ccc(cc1)N,non-mutagenic
+OCc1cc(ccc1O)C(CN(C(C)(C)C)Cc1ccccc1)O,mutagenic
+O/N=C/C(=O)Nc1ccccc1,non-mutagenic
+CC(C(=O)NCc1ccccc1)Br,mutagenic
+c1cc2cccc3c2c(c1)c1cccc2c1c3ccc2,mutagenic
+Oc1c2ccccc2nc2c1cccc2,non-mutagenic
+CC(=O)Nc1ccc(c(c1)N=Nc1cc(ccc1C)NC(=O)C)C,non-mutagenic
+O[C@H]1Cc2c(C1=O)cc(c1c2ccc2c1cccc2)C,mutagenic
+Nc1ccc(c(c1)[N+](=O)[O-])O,mutagenic
+CC#N,non-mutagenic
+O=C1C=Cc2c3c1ccc1c3c(cc2)C=CC1=O,mutagenic
+Oc1ccc(c2c1nccc2)S(=O)(=O)O,mutagenic
+CCC(C(N(C(=O)C(C(C)C)NC(=O)C(N(C)C)C(C)C)C)C(CC(=O)N1CCCC1C(C(C(=O)NC(c1nccs1)Cc1ccccc1)C)OC)OC)C,non-mutagenic
+O=C1CCC(=O)N1c1ccc(c(c1Cl)Cl)Cl,non-mutagenic
+Clc1ccc2-n3cnnc3CN=C(c2c1)c1ccccc1,non-mutagenic
+Cl/C=C(/SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)\Cl,mutagenic
+CC(CCCCCOC(=O)Cc1ccc(cc1Cl)Cl)C,non-mutagenic
+O1CC1Cc1ccccc1,mutagenic
+N[C@H](C(=O)O)CS/C(=C/Cl)/Cl,mutagenic
+C=CCOC(=O)c1ccccc1C(=O)OCC=C,non-mutagenic
+CCC(=O)Nc1ccc(c(c1)Cl)Cl,non-mutagenic
+Cc1cccc2c1c1ccc3c(c1cc2)cccc3,mutagenic
+CC(=O)Nc1scc(n1)/C=C\c1ccc(o1)[N+](=O)[O-],mutagenic
+NC(=O)Cc1cccc2c1cccc2,mutagenic non-mutagenic
+[O-][N+](=O)c1ccc(cc1)n1cnc2c1ncnc2N,mutagenic
+Cc1cc2n(C)c(nc2c2c1nccn2)N,mutagenic
+O=C(N(C)C)Nc1ccc(c(c1)Cl)C,non-mutagenic
+O[C@H]1C=Cc2c([C@@H]1O)cc1-c3cccc4c3c(-c1c2)ccc4,mutagenic
+ClC[Si](C=C)(C)C,non-mutagenic
+c1ccc2c(c1)cc1c3c2[C@@H]2O[C@@H]2c2c3c(cc1)ccc2,mutagenic
+ONc1cccc(c1)C,mutagenic
+CCNc1nc(NCC)nc(n1)Cl,non-mutagenic
+C1CC2CCc3c(C42C(C1)O4)cccc3,non-mutagenic
+CNC(=O)Oc1ccccc1,non-mutagenic
+Oc1ccc(cc1)C1(OC(=O)c2c1cccc2)c1ccc(cc1)O,non-mutagenic
+Fc1c(F)c(F)c(c(c1Cl)F)Cl,non-mutagenic
+C=Cc1ccc(cc1)N,mutagenic
+COc1ccc2c(c1)[nH]c1c2CCN2[C@@H]1C[C@H]1[C@H](C2)C[C@H]([C@@H]([C@H]1C(=O)OC)OC)OC(=O)c1cc(OC)c(c(c1)OC)OC,non-mutagenic
+OC(C(F)(F)F)C(F)(F)F,non-mutagenic
+[O-][N+](=O)c1ccc(cc1)Nc1ncnc2c1ncn2c1ccc(cc1)[N+](=O)[O-],mutagenic
+CC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-],non-mutagenic
+Cc1cccc(c1N=Nc1c(O)ccc2c1cccc2)C,non-mutagenic
+C/C=C/C1OC(=O)C=CC1O,non-mutagenic
+[O-][N+](=O)c1cc(ccc1C(=O)O)[N+](=O)[O-],mutagenic
+C1CCSCS1,mutagenic
+CN(c1ccc(cc1)C1(OC(=O)c2c1ccc(c2)N(C)C)c1ccc(cc1)N(C)C)C,non-mutagenic
+Oc1c2ccccc2nc2c1cco2,non-mutagenic
+CN(CCNC(=O)c1cccc2c1nc(cc2)c1ccccc1)C,mutagenic
+[O-][N+](=O)c1c(N)ccc2c1[nH]c1c2cccc1,mutagenic
+C(Sc1ccccc1)CSc1ccccc1,non-mutagenic
+Nc1ccc(cc1)S(=O)(=O)Nc1noc(c1)C,non-mutagenic
+Oc1c(N=Nc2ccc(cc2)S(=O)(=O)O)c2ccc(cc2cc1S(=O)(=O)O)S(=O)(=O)O,mutagenic
+[O-][N+](=O)c1ccc2c(c1)cn[nH]2,mutagenic
+ClC(=O)OCC1c2ccccc2-c2c1cccc2,mutagenic
+OC1C2OC2c2c(C1O)ccc1c2c(C)cc2c1cccc2,mutagenic
+O=NN(CCCC(c1cccnc1)O)C,mutagenic
+O=C1N(CCN2C(=O)c3c(C2=O)c(Br)c(c(c3Br)Br)Br)C(=O)c2c1c(Br)c(c(c2Br)Br)Br,non-mutagenic
+OCC1OC(OC23CCC4C(C2)(CC3=C)CCC2C4(C)CCCC2(C)C(=O)O)C(C(C1O)O)O,mutagenic
+O=NN1CCN([C@H](C1)C)N=O,mutagenic
+c1cccnc1,non-mutagenic
+ClCCBr,mutagenic
+c1cc2ccc3c4c2c2c1ccc1c2c2c4c(cc3)ccc2cc1,mutagenic
+ClC(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-],mutagenic
+N#CCc1ccccc1[N+](=O)[O-],mutagenic
+NC(=O)Nc1cc(ccc1O)C(CNC(C)(C)C)O,non-mutagenic
+OCCC(CCC=C(C)C)C,non-mutagenic
+OCc1c(O)cc2c(c1O)C(=O)c1c(C2=O)cccc1,mutagenic
+CCOC(=O)C,non-mutagenic
+CC(CN(C(=N)N[N+](=O)[O-])N=O)C,mutagenic
+OC(=O)Cc1c[nH]c2c1cccc2,non-mutagenic
+O=C1C=CC(=O)C(=C1)Cl,non-mutagenic
+ClCc1ccc(cc1)[N+](=O)[O-],mutagenic
+CCC#N,non-mutagenic
+CC(=O)Nc1nc2c(s1)CCC1C2=CCCN1CC=C,non-mutagenic
+O1C=CC2C(C=C1)O2,non-mutagenic
+Nc1nc2c(n1C)ccc1c2nccc1,mutagenic
+COc1ccc2c(c1)[nH]c1c2CCN2[C@@H]1C[C@H]1[C@H](C2)C[C@H]([C@@H]([C@H]1C(=O)OC)OC)OC(=O)/C=C/c1cc(OC)c(c(c1)OC)OC,non-mutagenic
+CC(NC(=O)NS(=O)(=O)c1cnccc1Nc1cccc(c1)C)C,non-mutagenic
+O1OC2c3c(C1c1c2cccc1)cccc3,non-mutagenic
+ClCc1cc2cc3ccccc3c3c2c2c1cccc2cc3,mutagenic
+CCC/C=N\O,mutagenic
+COC(=O)c1cc(ccc1N)c1ccc(c(c1)C(=O)OC)N,mutagenic
+CSC(/C=N\O)(C)C,non-mutagenic
+ClCC(=C)Br,mutagenic
+c1ccc2c(c1)c1cc3C=Cc4c3c(c1cc2)ccc4,mutagenic
+BrC[C@H]([C@@H]1CC[C@H]([C@H](C1)Br)Br)Br,non-mutagenic
+c1ccc2c(c1)scn2,non-mutagenic
+COCCOC(=O)c1ccccc1C(=O)OCCOC,mutagenic
+COC1OC1(C)C,mutagenic
+OCC1OC(O)C(C(C1O)OP1(=NP(=NP(=N1)(OC1C(O)C(O)OC(C1O)CO)OC1C(O)C(O)OC(C1O)CO)(OC1C(O)C(O)OC(C1O)CO)OC1C(O)C(O)OC(C1O)CO)OC1C(O)C(O)OC(C1O)CO)O,non-mutagenic
+CC(=O)NC(C(=O)O)CS/C(=C(/C(F)(F)F)\F)/F,non-mutagenic
+CC(OC1OC(=O)C(=C1Cl)Cl)C,mutagenic
+[O-][N+](=O)c1ccc(o1)/C=C/C(=O)OC,mutagenic
+CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCCC(O)C,non-mutagenic
+[O-][N+](=Nc1ccc(c(c1)Cl)Cl)c1ccc(c(c1)Cl)Cl,non-mutagenic
+O=NN(C[C@]1(O)OC[C@H]([C@H]([C@H]1O)O)O)CC(=O)O,non-mutagenic
+Nc1ccc(cc1)S(=O)(=O)Nc1onc(c1C)C,non-mutagenic
+BrCc1cccc(c1)[N+](=O)[O-],non-mutagenic
+c1ccc2c(c1)cc(cc2)[C@@H]1CO1,mutagenic
+OCC1OC(C(C1O)O)n1cnc2c1ncnc2NCc1ccc(cc1)[N+](=O)[O-],mutagenic
+CCCCCCCCCCSCn1cc[n+](c1)C,mutagenic
+[O-][N+](=O)c1cc2c3cc(nc(c3[nH]c2c(c1)[N+](=O)[O-])C)[N+](=O)[O-],mutagenic
+Nc1ccc2c(c1)C(=O)c1c(C2=O)cc(cc1)N,mutagenic
+Oc1ccc2c(n1)ccc1c2nc(n1C)N,mutagenic
+COP(=S)(Oc1nc(Cl)c(cc1Cl)Cl)OC,non-mutagenic
+CC(Br)(C)C,mutagenic
+CN(CCNC(=O)c1cccc2c1nc([nH]2)c1ccccc1)C,mutagenic
+CC(=O)C1(C)OC21C=Cc1c(C2=O)cccc1,non-mutagenic
+COc1ccc(cc1)/C=C/C(=O)c1ccccc1,non-mutagenic
+OC(=O)CCC(C1CCC2C1(C)CCC1C2CCc2c1ccc(c2)O)C,non-mutagenic
+NCCCN(C)C,non-mutagenic
+CC(=O)OCc1c2ccccc2c(c2c1cccc2)C,mutagenic
+OC(=O)C1OC(Oc2ccc3c4c2ccc2c4c(cc3)cc3c2cccc3)C(C(C1O)O)O,non-mutagenic
+CCN(c1ccc2c(c1)oc(=O)c(c2)c1nc2c(n1C)cccc2)CC,non-mutagenic
+COc1cc(cc(c1OC)OC)C(=O)OCCCN1CCCN(CC1)CCCOC(=O)c1cc(OC)c(c(c1)OC)OC,non-mutagenic
+O=C(OC(C)(C)C)OC(=O)OC(C)(C)C,non-mutagenic
+O=CNc1scc(n1)c1ccc(o1)[N+](=O)[O-],mutagenic
+COc1cc(O)c2c(c1)c1c(C)cc(cc1oc2=O)O,non-mutagenic
+CC(=O)C1C(=O)C=C2C(C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O,non-mutagenic
+CCOC(=O)c1cccc2c1nccc2,non-mutagenic
+CCN(c1ccc(cc1)N=O)CC,mutagenic
+OC(=O)c1oc(c(c1c1ccccc1)c1ccccc1)[N+](=O)[O-],mutagenic
+[O-][N+](=O)c1ccccc1[N+](=O)[O-],mutagenic
+CCCC[C@H](COC(=O)CCCCC(=O)O)CC,non-mutagenic
+C=CN1CCCC1=O,non-mutagenic
+O=c1ccoc(c1O)C,mutagenic
+Nc1ccc2c(n1)cccc2,mutagenic
+C=CCc1ccc2c(c1)OCO2,non-mutagenic
+O1CCOCC1,non-mutagenic
+Cc1c2ccccc2c(c2c1c1ccccc1cc2)COS(=O)(=O)O,mutagenic
+OC(=O)C(Oc1ccc(cc1Cl)Cl)C,non-mutagenic
+CC(=O)OCN(N=O)CCCl,mutagenic
+COC(=O)CC1OC(=O)c2c(C1)cc1c(c2O)c(O)c(c(c1)OC)c1c(OC)cc2c(c1O)c(O)c1c(c2)CC(OC1=O)CC(=O)OC,non-mutagenic
+Cc1ccc2c(c1)cc1c(n2)c2ccccc2cc1,mutagenic
+Nc1ccc(cc1Cl)c1ccc(c(c1)Cl)N,mutagenic
+CCCC1(O)CCC2C1(C)CCC1C2CCC2C1(C)C(C)CC(=O)C2,non-mutagenic
+CCOS(=O)(=O)c1ccc(cc1)C,mutagenic
+CC(=O)OC(=O)C,non-mutagenic
+Oc1ccc2c(c1)c(N)c1c(n2)cccc1,mutagenic
+OCC1OC(CC1O)n1cc(CC)c(=O)[nH]c1=O,non-mutagenic
+O=C(c1ccc(cc1)c1ccccc1)/C=C/c1ccccc1,non-mutagenic
+COc1cc2c3CCC(=O)c3cc(c2c2c1cccc2)C,mutagenic
+Oc1ccc2c(c1)OCO2,non-mutagenic
+c1ccc2c(c1)nccc2,mutagenic
+NC(=O)c1cc(N2CC2)c(cc1[N+](=O)[O-])[N+](=O)[O-],mutagenic
+CC(=C)C(=O)OC[C@@H](CBr)Br,mutagenic
+CC/C=C/[C@H](C=O)CC,non-mutagenic
+ClCc1c2ccc3c4c2c(c2c1cccc2)ccc4ccc3,non-mutagenic
+C1CCC(CC1)NC1CCCCC1,non-mutagenic
+CC(=O)Nc1cc(O)c2c3c1ccc1c3c(cc2)ccc1,mutagenic
+NNc1ccc(cc1)C(=O)O,non-mutagenic
+CCOP(=O)(N1C2C1c1ccccc1-c1c2cccc1)OCC,mutagenic
+CSc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],mutagenic
+OC(COc1ccc(cc1)CC(=O)N)CNC(C)C,non-mutagenic
+N#Cc1cccc(c1)C,non-mutagenic
+CCCCC/C=C/C/C=C/CCCCCCCC(=O)O,non-mutagenic
+COC(=O)CCl,non-mutagenic
+Clc1cccc(c1)C(=O)O,non-mutagenic
+Clc1ccc(cc1)Cl,non-mutagenic
+OCc1cc2c([nH]1)c1ncccc1cc2,non-mutagenic
+CCN(CCNc1ccc(c2c1c(=O)c1c(s2)cccc1)COS(=O)(=O)C)CC,mutagenic
+[O-][N+](=O)c1c(O)ccc2c1[nH]c1c2cccc1,non-mutagenic
+O=Cc1ccc(cc1Cl)Cl,non-mutagenic
+Oc1ccc2-c3c4c(-c2c1)cc1ccccc1c4cc1c3cccc1,mutagenic
+ClC(=O)c1ccccc1Cl,mutagenic
+ClCCCN(COC(=O)C)N=O,mutagenic
+COc1cc(O)c2c(c1OC)oc1c(c2=O)c(OC)cc2c1[C@@H]1C=CO[C@H]1O2,mutagenic
+COc1c(OC)ccc2c1cc1N(C)C(=O)C(=O)c3c1c2c1OCOc1c3,mutagenic
+CC(c1ccc(cc1)OP(=O)(Oc1ccccc1)Oc1ccccc1)(C)C,non-mutagenic
+BrC[C@H](Br)C,mutagenic
+Nc1cc2nc3ccccc3nc2cc1O,mutagenic
+Cc1cccc2c1cc1c(c2)ccc2c1cccc2,mutagenic
+BrCCC(CCBr)(CO)CO,mutagenic
+OC(=O)C(Cl)(Cl)Cl,non-mutagenic
+OS(=O)(=O)OCc1ccc2c3c1ccc1c3c(cc2)ccc1,mutagenic
+O=C(c1ccccc1)/C=C/c1ccccc1[N+](=O)[O-],non-mutagenic
+Nc1ccc2c(c1)c(O)c(c(c2)S(=O)(=O)O)N=Nc1ccc(cc1)c1ccc(cc1)N=Nc1c(O)c2c(N)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O,mutagenic
+CCCCCCCCCC[C@@H]1OC1,non-mutagenic
+ClC1OC1CBr,mutagenic
+Cc1ccc2c(c1C)cccc2,non-mutagenic
+Nc1ccc(cc1C)c1ccc(c(c1)C)N,mutagenic
+CCC1(C(=O)NC(=O)NC1=O)c1ccccc1,mutagenic
+[O-][N+](=O)c1ccc2c(-c3ccccc3C2)c1,mutagenic
+ClCC(COc1ccc(cc1)C(c1ccc(cc1)OCC(CCl)O)(C)C)O,non-mutagenic
+O=C1CCc2c1ccc1c2ccc2c1cccc2,mutagenic
+c1ccc(cc1)c1nc(c([nH]1)c1ccccc1)c1ccccc1,mutagenic
+O=Nc1ncn(c1c1ccccc1)C,mutagenic
+OC1C(=C)C2(CC31CCC1C(C3CC2)(C)CCCC1(C)C(=O)O)O,non-mutagenic
+O=CC1=CCC(CC1)C(=C)C,non-mutagenic
+Clc1c(O)c(Cl)c(c(c1Cl)Cl)Cl,non-mutagenic
+OCCCO/C=C/C=C/C=C/C=C/C=C/CC,mutagenic
+CC(Nc1snc2c1cccc2)C,non-mutagenic
+COc1ccc(cc1)CC1OC1,mutagenic
+NNc1nncc2c1nccc2,mutagenic
+CCN(c1cccc(c1)O)CC,mutagenic
+OCNC(=O)C=C,non-mutagenic
+COc1cc2nc3cc(N)c(cc3nc2cc1N)OC,mutagenic
+[O-][N+](=O)c1cnc2c(c1C)nc1n2cccc1C,mutagenic
+[O-][N+](=O)c1cccc(c1O)c1ccccc1,non-mutagenic
+OCc1ccc(cc1)[N+](=O)[O-],non-mutagenic
+O=CNc1ccc(cc1)Oc1c(Cl)cc(cc1Cl)Cl,mutagenic
+COC1=CC(=O)c2c(C1=O)[nH]cc1-c2nc2c1CCCC2,mutagenic
+CCCOC(=O)/C=C/c1ccc(o1)[N+](=O)[O-],mutagenic
+CCCC(=C)C=O,mutagenic
+CC(N)C,non-mutagenic
+CCCCN([N+](=O)[O-])CCO[N+](=O)[O-],mutagenic
+c1ccc(cc1)c1ccc(cc1)OCC1OC1,mutagenic
+Nc1sc2c(n1)c(C)ccc2,non-mutagenic
+Cc1cccc(c1)c1nc2c(o1)cccc2,non-mutagenic
+CCn1c(N)nc2c1ccc1c2nc(cn1)C,mutagenic
+O=c1n(C[C@@H]2OC2)c(=O)n(c(=O)n1C[C@@H]1OC1)C[C@@H]1OC1,mutagenic
+O=c1c2cc3ccccc3c3c2c2c1cccc2cc3,mutagenic
+COC(C1Cc2cc3cc(OC4CC(OC5CC(O)C(C(O5)C)OC)C(C(O4)C)OC(=O)C)c(c(c3c(c2C(=O)C1OC1CC(OC2CC(OC3OC(C)C(C(C3)(C)O)OC(=O)C)C(C(O2)C)O)C(C(O1)C)O)O)O)C)C(=O)C(C(O)C)O,non-mutagenic
+CCn1c(N)nc2c1ccc1c2cccn1,mutagenic
+FC(OC(C(Cl)F)(F)F)F,non-mutagenic
+Cl/C=C(/c1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl)\Cl,non-mutagenic
+COC(=O)Nc1[nH]c2c(n1)cc(cc2)OS(=O)(=O)c1ccc(cc1)F,non-mutagenic
+COc1cc(N)cc(c1N)OC,non-mutagenic
+ClCCCC(=O)/N=c/1\sn(c2c1cccc2)C(=O)CCCCl,non-mutagenic
+CC(Cl)(Cl)C,non-mutagenic
+CCOC(=O)[C@@H](C[C@](C(=O)O)(C[C@H](C(=O)OCC)C[C@@](C(=O)O)(CC)C)C)C[C@](C(=O)O)(C[C@@H](C(=O)OCC)C)C,mutagenic
+Clc1ccc(cc1Cl)C(Cl)(Cl)Cl,mutagenic
+O=NOC(C)(C)C,mutagenic
+O=Nc1ccc(cc1)O,mutagenic
+NC1=C[C@H]2[C@@H](C(=N1)C)Nc1c2cccc1,mutagenic
+C/C=C/1\CC(C)C(C)(O)C(=O)OCC2=CC[N+]3(C2(C(OC1=O)CC3)O)C,mutagenic
+CC(=CCC1=C(O)C(=O)c2c(C1=O)cccc2)C,non-mutagenic
+OCc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1)O,mutagenic
+Nc1ccc(cc1)Oc1c(Cl)cc(cc1Cl)Cl,mutagenic
+Cc1nc2c(nc1C)cc(c1c2nc(n1C)N)C,mutagenic
+CC(=O)Nc1cc2Cc3c(-c2cc1OC(=O)c1ccccc1)cccc3,non-mutagenic
+CCNc1cc2oc(=O)cc(c2cc1C)C,non-mutagenic
+O=NN1CSCC1C(=O)O,non-mutagenic
+CN(c1ccncc1)C,non-mutagenic
+Oc1ccc(cc1)Nc1c2ccccc2nc2c1cccc2,mutagenic
+Clc1ccc2-n3nc(nc3CN=C(c2c1)c1ccccc1Cl)C(=O)N(C)C,non-mutagenic
+OC(=O)CS,non-mutagenic
+CCCCCCCC(=O)OC(COC(=O)CCCCCCC)COC(=O)CCCCCCC,mutagenic
+O=C1OC(=O)c2c1cc(cc2)[N+](=O)[O-],mutagenic
+NC(=O)C[C@H]1CO1,mutagenic
+COc1cc(CNC(=O)CCCCCCC(C)C)ccc1O,mutagenic
+O[C@@H](c1ccccc1)C#N,non-mutagenic
+CC(=O)Nc1ccc2c(n1)cccc2,non-mutagenic
+OC1=C(C)CCC1=O,non-mutagenic
+CCCCCCCCCCCCCCCCCC(=O)NCCNC(=O)CCCCCCCCCCCCCCCCC,non-mutagenic
+Clc1cc(Cl)nc(n1)N,non-mutagenic
+[O-][N+](=O)c1cccc2c1snc2Cl,mutagenic
+CCN(C(=O)c1cc(ccc1N)Cc1ccc(c(c1)C(=O)N(CC)CC)N)CC,non-mutagenic
+CC(C(=O)NCc1ccccc1)Cl,non-mutagenic
+OCC12SSC3(N(C1=O)C1C(O)C=CC=C1C3)C(=O)N2C,non-mutagenic
+NC1C=CC(=C(c2ccc(c(c2)C)N)c2ccc(cc2)N)C=C1,mutagenic
+OC(=O)c1cc(ccc1N)Cc1ccc(c(c1)C(=O)O)N,non-mutagenic
+C=C[C@H](c1ccc2c(c1)OCO2)OC(=O)C,mutagenic
+[O-][N+](=O)c1ccc2c(c1)c1cc(ccc1cc2)[N+](=O)[O-],mutagenic
+OC(=O)C1=CC2=CCC3C(C2(CC1)C)CCC1(C3CCC1C(=O)NC(C)(C)C)C,non-mutagenic
+CCn1cc(C(=O)O)c(=O)c2c1c(F)c(c1ccncc1)c(c2)F,non-mutagenic
+OCc1cc2c3ccccc3cc3c2c2c1cccc2cc3,non-mutagenic
+Clc1ccc(c(c1)O)Cl,non-mutagenic
+[O-][N+](=O)c1c(nc2n1ccs2)c1ccc(cc1)[N+](=O)[O-],mutagenic
+CCCCCCCCCCCCCC(=O)O[C@@H]1[C@H](C)[C@]2(O)[C@H]([C@@H]3[C@@]1(OC(=O)C)C3(C)C)C=C(C[C@@]1([C@H]2C=C(C1=O)C)O)CO,non-mutagenic
+CCCCC(C(C(OC(=O)CC(C(=O)O)CC(=O)O)CC(CC(CCCCCCC(C(N)C)O)O)C)OC(=O)CC(C(=O)O)CC(=O)O)C,non-mutagenic
+OCC1OC(OC2CCC3(C(=CCC4C3CCC3(C4CC4C3C(C)C3(O4)CCC(CO3)C)C)C2)C)C(C(C1OC1OC(C)C(C(C1O)O)O)O)OC1OC(C)C(C(C1O)O)O,non-mutagenic
+C1CC2OC2CCC2C1O2,non-mutagenic
+O=Cc1cccc2c1nccc2,mutagenic
+[O-][N+](=O)c1cc(Br)c(c(c1)[N+](=O)[O-])N,mutagenic
+OC1C(O)C(OC1n1ccc(=O)[nH]c1=O)COP(=O)(O)O,non-mutagenic
+Clc1cc(Cl)c(c(c1)S(=O)(=O)c1cc(Cl)cc(c1O)Cl)O,non-mutagenic
+Cc1cn(CC(CN=N#N)O)c(=O)[nH]c1=O,mutagenic
+Nc1ccc(c(c1)C)C,mutagenic
+O=C1CCC2(C(=C1)C(C)CC1C2CCC2(C1CCC2(OC(=O)C)C(=O)C)C)C,non-mutagenic
+OC(=O)c1cc(O)c2c(n1)cccc2,non-mutagenic
+N#N=NCC(C(C(C(C(=O)O)O)O)O)O,mutagenic
+CCCCN=NC(OO)(C)C,mutagenic
+[O-][n+]1c2ccccc2nc2c1cccc2,mutagenic
+[O-][N+](=O)c1cc([N+](=O)[O-])c2c3c1-c1ccccc1-c3ccc2,mutagenic
+CC(=C)[C@@H]1Oc2c(C1)c1c(c(c2)O)c(=O)c2c(n1C)cccc2,mutagenic
+COC1=C(N)C(=O)c2c(C1=O)ccc(n2)c1nc(C(=O)O)c(c(c1N)c1ccc(c(c1O)OC)OC)C,mutagenic
+CC([C@](C(=O)O)([C@H](O)C)O)C,non-mutagenic
+OC(=O)C1=NN(C(=O)[C@H]1N=Nc1ccc(cc1)S(=O)(=O)O)c1ccc(cc1)S(=O)(=O)O,non-mutagenic
+NC(=O)C12OC2C(NC1=O)(O)c1ccccc1,non-mutagenic
+Clc1cc(ccc1N=Nc1c(O)ccc2c1cccc2)[N+](=O)[O-],mutagenic
+CC(=O)Nc1ccc2c3c1ccc1c3c(cc2)ccc1O,mutagenic
+c1ccc(cc1)c1ccc(cc1)c1ccccc1,non-mutagenic
+CCCC[C@H](COS(=O)(=O)O)CC,non-mutagenic
+c1ccco1,non-mutagenic
+c1ccc2c(c1)c1ccc3c4c1c(c2)C1NC1c4ccc3,mutagenic
+OCCNC(=O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N,non-mutagenic
+CCOC(=O)N(CCCC(=O)c1cccnc1)N=O,mutagenic
+CC(=O)Nc1cc2Cc3c(-c2cc1OC(=O)C)cccc3,non-mutagenic
+CCCn1cc2c3c1cccc3C1C(C2)N(C)CC(=C1)C,mutagenic
+Oc1cc(O)c2c(c1)oc1c(c2=O)c(O)ccc1O,mutagenic
+BrC(C(=O)O)Br,mutagenic
+OC(=O)c1cc2ccccc2c(c1O)N=Nc1ccc(c(c1)S(=O)(=O)O)C,non-mutagenic
+NCCN(c1c2ccccc2nc2c1ccc1c2cccc1)CCCl,mutagenic
+C1CCNC(=O)N1N=O,mutagenic
+S=C(Nc1ccccc1)Nc1ccccc1,non-mutagenic
+CCCC(=O)c1cc(O)c(cc1O)O,mutagenic
+CN(CCNC(=O)c1cccc2c1oc1ccccc1c2=O)C,mutagenic
+CC(CCCC(C1CCC2C1(C)CCC1C2CC=C2C1(C)CCC(C2)OC(=O)C)C)C,non-mutagenic
+CCCCCCCCCCCCCCCC(=O)OC/C=C(/C=C/C=C(/C=C/C1=C(C)CCCC1(C)C)\C)\C,non-mutagenic
+O=C1C=Cc2c(C1=O)ccc1c2c(C)c2c(c1)cccc2,mutagenic
+COc1ccc(cc1OC)c1[nH]c(c(n1)c1ccc(cc1)C)c1ccc(cc1)C,mutagenic
+O(Cc1cccc2c1cccc2)CC1CO1,mutagenic
+[O-][N+](=O)CCC(=O)O,mutagenic
+[O-][N+](=O)c1c2ccc3c4c2c(c2c1cccc2)ccc4ccc3,mutagenic
+O=c1n(CC2CO2)sc2c1cccc2,non-mutagenic
+O=CNc1ccc2-c3c(Cc2c1)cccc3,mutagenic
+CN(c1ccc(cc1)C(=C1C=CC(=N)C=C1)c1ccc(cc1)N(C)C)C,non-mutagenic
+Nc1cc([N+](=O)[O-])c(cc1C)N,mutagenic
+Oc1ccc2c(c1N)cccc2,non-mutagenic
+COc1cccc2c1ccc1c2c2OCOc2cc1C(=O)O,mutagenic
+OCCN(C(=O)Nc1ccc(c(c1)Cl)Cl)C,non-mutagenic
+CCn1c(N)nc2c1c(C)cc1c2cccn1,mutagenic
+C[n+]1c2ccccc2cc2c1cccc2N,mutagenic
+ClCCN(c1cccc(c1)/C=C/C(=O)O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3CCC(=O)N2)C)C1)C)CCCl,mutagenic
+CN(CCNC(=O)c1ccc2c(n1)c1ncccc1cc2)C,mutagenic
+OS(=O)(=O)c1cccc2c1nccc2,non-mutagenic
+c1ccc2c(c1)c1cc3c(cc1cc2)ccc1c3cncc1,mutagenic
+NCCCCC(C(=O)O)N,mutagenic
+[O-][N+](=O)c1cc2CCc3c4-c2c(c1)CCc4ccc3,mutagenic
+COc1ccc(cc1)C(=O)C1OC1c1ccccc1,non-mutagenic
+FC(C(C(Cl)(F)F)(F)F)Cl,non-mutagenic
+COc1cc2OC3C(c2c2c1c1C(O)CC(=O)c1c(=O)o2)C=CO3,mutagenic
+O=CC1(C)OC21CC1(C)C(C)C(OC(=O)C)C3C(C1=CC2=O)O3,mutagenic
+Cc1ccc(cc1)c1[nH]c(nc1c1ccc(cc1)C)c1ccc(cc1C)C,mutagenic
+Oc1cc([N+](=O)[O-])c2c3c1ccc1c3c(cc2)ccc1,mutagenic
+CN(N=O)CCCC,mutagenic
+COc1cc(C)cc2c1C(=O)C=C(C2=O)c1c(C)cc2c(c1OC)C(=O)C=CC2=O,non-mutagenic
+O=Cc1ccco1,mutagenic
+CCN(C(=N)N[N+](=O)[O-])N=O,mutagenic
+Cl/C=C/c1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl,non-mutagenic
+Oc1cc(Cl)c(c(c1)Cl)Cl,non-mutagenic
+CCCCOCN(c1c(CC)cccc1CC)C(=O)CCl,mutagenic
+ON1CN(Cl)CN(C1)Cl,non-mutagenic
+CCCC[C@H](C=O)CC,non-mutagenic
+COC(=O)C1=CCCN(C1)N=O,mutagenic
+OCCN(C(=O)Nc1ccccc1)C,non-mutagenic
+CCSCCSP(=S)(OC)OC,non-mutagenic
+O=C1C=Cc2c(C1=O)ccc1c2cc2ccccc2c1C,mutagenic
+OC(COc1cccc2c1cc[nH]2)CNC(C)C,non-mutagenic
+OC1C=Cc2c(C1O)cc1c3c2ccc2c3c(cc1)ccc2,mutagenic
+CC/C(=C(/c1ccccc1)\c1ccc(cc1)OCCN(C)C)/c1ccccc1,non-mutagenic
+O=C1C=Cc2c3c1cccc3ccc2,mutagenic
+CCCCCCN(C(=O)N)N=O,mutagenic
+CCOC(=O)C(=C)C,non-mutagenic
+CC1C(C)(C)Nc2c(C1(C)C1C(C)(C)Nc3c(C1(C)C)cccc3)cccc2,non-mutagenic
+CC(=O)Nc1ccc(cc1)Oc1ccc(cc1)[N+](=O)[O-],mutagenic
+CNC(=O)Oc1ccc2c(c1)C1(C)CCN(C1N2C)C,non-mutagenic
+N#Cc1ccc(cc1)[N+](=O)[O-],non-mutagenic
+CC(Nc1ccccc1)C,non-mutagenic
+O=C1C(=CC(=O)c2c1nc(C)c1c2[nH]c2c1cccc2)N1CC1,mutagenic
+CC(=O)n1cncc1,non-mutagenic
+O=C=NC[C@@]1(C)C[C@H](N=C=O)CC(C1)(C)C,non-mutagenic
+Nc1nc2c(n1C)ccc1c2ccnc1,mutagenic
+O=C/C=C(\CCC=C(C)C)/C,non-mutagenic
+COc1cc2c(cc1O)CCN[C@@]12CSC2c3c(OC(=O)C)c(C)c4c(c3[C@H](COC1=O)N1[C@@H]2[C@@H]2N([C@H]([C@@H]1O)Cc1c2c(O)c(c(c1)C)OC)C)OCO4,mutagenic
+c1ccc2-c3cc4ccccc4cc3C3C(c2c1)O3,mutagenic
+BrC(C1=C(Br)C(=O)OC1)Br,mutagenic
+CC1(CO1)C(=O)N,mutagenic
+c1ccc(cc1)Nc1ccccc1,non-mutagenic
+OCc1c2ccc3c(c2cc2c1cccc2)cccc3,mutagenic
+Cc1ccc(cc1N=[N+](c1cc(ccc1C)[N+](=O)[O-])[O-])[N+](=O)[O-],non-mutagenic
+C[C@@H]1CNC(=O)N1c1ncc(s1)[N+](=O)[O-],mutagenic
+CCCC[C@H](COP(=O)(OC[C@@H](CCCC)CC)OC[C@@H](CCCC)CC)CC,non-mutagenic
+ONc1ccc(cc1)N=O,mutagenic
+O=CNc1ccc(cc1)Oc1ccc(cc1)Cl,mutagenic
+ClCC1=C(Cl)C(=O)OC1O,mutagenic
+[O-][N+](=O)c1c(O)c(Cl)cc(c1Cl)Cl,non-mutagenic
+[O-][N+](=O)c1c(O)ccc2c1cccc2,mutagenic
+CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])OCC,non-mutagenic
+Nc1[nH]ccc2-c1c1ccccc1n2,mutagenic
+O=NN(CCCC(=O)c1cccnc1)C,mutagenic
+CCOC(=O)C(C(=O)C)Cl,non-mutagenic
+O=c1cc(C)c2c(o1)ccc1c2C2(C)OOC2(O1)C,mutagenic
+C1CCC(CC1)N=C=NC1CCCCC1,non-mutagenic
+CC1CCC2CC1C2(C)C,non-mutagenic
+[O-][N+](=O)c1cccc2c1ncc1c2c2ccccc2nc1,mutagenic
+CCOc1ccc2c(c1)C(=CC(N2)(C)C)C,non-mutagenic
+C[n+]1ccsc1N=Nc1c(c2ccccc2)n(c2c1cccc2)C,mutagenic
+CCCCC1C(=O)N(N(C1=O)c1ccccc1)c1ccccc1,non-mutagenic
+Nc1ccc(cc1Br)c1ccc(c(c1)Br)N,mutagenic
+CC(Cc1ccc(cc1)C(C(=O)O)C)C,non-mutagenic
+CCc1c2ccccc2c(c2c1c1ccccc1cc2)C,non-mutagenic
+Clc1ccc(c(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-],mutagenic
+CNCC(c1ccc(c(c1)O)O)O,non-mutagenic
+Cc1cnccn1,non-mutagenic
+c1ccc2c(c1)cc1c(c2[C@@H]2CO2)cccc1,mutagenic
+c1ccc2c(c1)ccc1c2nccc1,mutagenic
+c1ccc(cc1)Nc1ccc2c(c1)cccc2,non-mutagenic
+OCCN(c1ccc(cc1)N=Nc1ccc(cc1)C)CCO,non-mutagenic
+CNC(=O)N(C(=O)C)O,mutagenic
+Oc1ccc2c(c1)CCC1C2CCC2(C1CC(C2O)O)C,non-mutagenic
+CCC(OC)(C)C,non-mutagenic
+CC/C=C/C=O,mutagenic
+OCc1ccc(cc1)C,non-mutagenic
+CCCCON(C(=O)c1ccc(cc1)Cl)OC(=O)C,mutagenic
+CCCCC(COC(=O)c1ccc(cc1)C(=O)O)CC,non-mutagenic
+CO[C@@H]1C[C@](C)(O)Cc2c1c(O)c1c(c2)C(=O)c2c(C1=O)c(O)cc1c2O[C@@H]2O[C@@]1(C)[C@@H]([C@H]([C@H]2O)N(C)C)O,mutagenic
+CCOc1cc(C=O)ccc1O,non-mutagenic
+CNc1ccc(cc1)C(=C1C=CC(=NC)C=C1)c1ccc(cc1)N(C)C,non-mutagenic
+CN(CCNC(=O)c1cccc2c1nc1ccccc1c2O)C,mutagenic
+O=NN1CC(=O)NC1=O,mutagenic
+Cc1cn2c(s1)nc(c2[N+](=O)[O-])c1ccc(cc1)[N+](=O)[O-],mutagenic
+OC(=O)CCCCC(=O)O,non-mutagenic
+C=CCN=C=S,mutagenic
+COc1cc(cc(c1OC)OC)C1C2C(=O)OCC2C(c2c1cc1OCOc1c2)O,non-mutagenic
+COC(=O)CCC(=O)OC,non-mutagenic
+COc1ccc(cc1)C(=O)/C=C/c1ccccc1,non-mutagenic
+Clc1ccc2-n3c(CN=C(c2c1)c1ccccc1Cl)nnc3C,non-mutagenic
+OOC(N=NC)(C)C,mutagenic
+O=C(Nc1ccccc1C)CC(=O)C,non-mutagenic
+CCOC(=O)C1=C(C)N=C(C(=C(OCC2COC3(O2)CCCC3)O)C1c1cccc(c1)Cl)C,non-mutagenic
+Cc1ccc2c(c1)C1C(C)c3cc(C)ccc3N(C1=N2)C,mutagenic
+CC/C=C/C=C/C=C/C=C/C=C/OCC(c1ccccc1)O,mutagenic
+CCCCOC(=O)C(OC(=O)C)(CC(=O)OCCCC)CC(=O)OCCCC,non-mutagenic
+CC(c1cc(cc(c1N)C(C)C)c1ccccc1)C,non-mutagenic
+O=S1(=O)c2cc3ccccc3c3c2c2c1cccc2cc3,mutagenic
+O=Cc1ccc(cc1)C(=O)ON(C(=O)c1ccccc1)OCc1ccccc1,mutagenic
+O=CC1=C2CC(CC2(O)C(C2(C1(C=O)C2)C)O)(C)C,mutagenic
+Brc1cccc(c1)[N+](=O)[O-],mutagenic
+Cc1nc(C)cc(c1)c1cc2c(cc1F)n1c(n2C2CC2)cc(=O)n(c1=O)O,mutagenic
+ClCCN(c1ccc(cc1)c1[nH]c2c(n1)cc(cc2)CCCCCCc1nc2c([nH]1)ccc(c2)N1CCN(CC1)C)CCCl,non-mutagenic
+Cn1c(N)nc2c1cc1ncccc1n2,non-mutagenic
+COC(=O)C[C@H]1[C@@]2(C)[C@H](OC3C2=C(C)[C@@H](C3)c2cocc2)[C@H]2C3[C@]1(C)C(=O)C=C[C@@]3(C)C(=O)O2,non-mutagenic
+N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)C=C(Cl)Cl,non-mutagenic mutagenic
+OC1CC=Cc2c1cc1ccc3c4c1c2ccc4ccc3,mutagenic
+COc1ccc(cc1)C(C=C)O,non-mutagenic
+BrCC(=O)N(Cc1ccccc1)C,non-mutagenic
+Oc1ccc2c(c1)cccn2,non-mutagenic
+S=C=S,non-mutagenic
+CCO[Si](OCC)(OCC)C,non-mutagenic
+O=CN(c1ccc(cc1)c1ccccc1)O,mutagenic
+OCC1=CCN2[C@H]1[C@H](O)CC2,non-mutagenic
+CCOC(=O)c1[nH]c2c(c1/N=C/c1ccc(cc1)[N+](=O)[O-])cccc2,mutagenic
+CC(=O)OC1C(OCC(C1OC(=O)C)OC(=O)C)Nc1ccc(cc1)C(=O)O,non-mutagenic
+CCN(C(=O)N)N=O,mutagenic
+[O-][N+](=O)c1cc2[nH]c3c(c2c2c1cccc2)c1ccccc1c(c3)[N+](=O)[O-],mutagenic
+Cc1cccc2c1cc1ccc3c(c1n2)cccc3,mutagenic
+c1ccc2c(-c3cc4C5OC5c5c(-c4cc3C3C2O3)cccc5)c1,mutagenic
+BrC([N+](=O)[O-])(Br)Br,mutagenic
+OCC1OC(CC1O)n1cnc2c1ncn1c2ncc1,non-mutagenic
+O=C(C(=C)C)OCCOCCOCCOC(=O)C(=C)C,non-mutagenic
+NC(=O)OC1CO1,mutagenic
+Clc1cccc(c1)NS(=O)(=O)c1cccc2c1nccc2,non-mutagenic
+[O-][N+](=O)c1cnc(n1C)C,mutagenic
+CCOc1ccc(cc1N)NC(=O)C,mutagenic
+CN(Cc1ccccc1)C,non-mutagenic
+C[C@H]1OC=C2C(=C(C)C(=O)C(=C2O)C(=O)O)[C@@H]1C,non-mutagenic
+CCCCCCCCCC/C=C/[C@H]1CC(=O)OC1=O,non-mutagenic
+O=C1NCNC(=O)N1,mutagenic
+ClC1=C(Cl)[C@@]2(C([C@@]1(Cl)[C@@H]1[C@H]2[C@H]2C[C@@H]1[C@@H]1[C@H]2O1)(Cl)Cl)Cl,non-mutagenic
+CNc1ccc2c(c1C)nc(c(n2)C)C,mutagenic
+ONc1oc(c(c1c1ccccc1)c1ccccc1)C(=O)OC,non-mutagenic
+OC1c2cc3ccccc3c3c2c2c1cccc2cc3,mutagenic
+COC(=O)c1oc(c(c1Cl)Cl)N,non-mutagenic
+C1CC2=CC3C(C=C(C1)O2)O3,non-mutagenic
+CC[N+](=NC)[O-],non-mutagenic
+O=C(C1C(=O)NC(=S)NC1=O)Nc1ccccc1,non-mutagenic
+CCCNc1c(ccc(c1C(=O)O)Cl)[N+](=O)[O-],non-mutagenic
+c1ccc2c(c1)c1ccccc1c1c2cccc1,mutagenic
+O=CCC1CC(C)C(O)/C=C\C=C/CC(OC(=O)CC(C(C1OC1OC(C)C(C(C1O)N(C)C)OC1OC(C)C(C(C1)(C)OC(=O)CC)OC(=O)CCC)OC)O)C,non-mutagenic
+OCc1c(N)cccc1[N+](=O)[O-],non-mutagenic
+[O-][N+](=O)c1c(O)cccc1[N+](=O)[O-],mutagenic
+ClCCOCCCl,mutagenic
+O=CNc1scc(n1)c1ccc(cc1)[N+](=O)[O-],mutagenic
+Cc1ccc2c(c1)nc1c(c2C)ccc2c1cccc2,mutagenic
+[O-][N+](=O)c1cccc2c1nsc2,mutagenic
+[O-][N+](=O)c1cc(C)c(c(c1)[N+](=O)[O-])C,non-mutagenic
+CC(CO)Cl,mutagenic
+CC/C=C/C=C/C=C/C=C/C=C/OC,mutagenic
+CCCCCN1C2C1c1ccccc1-c1c2cccc1,mutagenic
+CCCCN(CCC(=O)C)N=O,mutagenic
+Cc1ccc2c3c1ccc1c3c(cc2)cc2c1cccc2,mutagenic
+COC1=CC(=O)c2c(C1=O)c1-c(c([nH]2)C)c2c(n1)cccc2,mutagenic
+[O-][N+](=O)C1=Cc2c3c1cc1cccc4c1c3c(cc2)cc4,mutagenic
+ONS(=O)(=O)c1cccc2c1nccc2,non-mutagenic
+COc1c2c(O[C@H]3[C@H]2C=CO3)cc2c1c(=O)c1c(o2)c(CCC(O)(C)C)ccc1O,mutagenic
+O=C1c2ccccc2C(=O)c2c1ccc(c2N)N,mutagenic
+O=NN1CCCC[C@H]1C,mutagenic
+Clc1ccc(c(c1)C(=O)Nc1ccc(cc1Cl)[N+](=O)[O-])O,mutagenic
+OCC1OC(C(C1O)O)n1cnc2c1ncn1c2ncc1,non-mutagenic
+ONc1cc(ccc1C)[N+](=O)[O-],non-mutagenic
+Cc1cccc2c1nn[nH]2,non-mutagenic
+[O-][N+](=O)C(C(O)C)C,non-mutagenic
+CC(=C)OC(=O)C,non-mutagenic
+NCCNC(=O)c1ccc(cn1)Cl,non-mutagenic
+CN([C@@H]1C(=O)C(=C([C@@]2([C@@H]1C[C@H]1C(=C2O)C(=O)c2c([C@@]1(C)O)cccc2O)O)O)C(=O)N)C,non-mutagenic
+c1cc2C=Cc3c2c(c1)cc1c3c2ccccc2cc1,mutagenic
+CC(=O)Nc1cccc2c1-c1ccccc1C2,mutagenic
+Cc1c(C)c(Br)c(c(c1Br)Br)Br,non-mutagenic
+ClCCN(c1ccc(c2c1oc(c2)[N+](=O)[O-])OC)CCCl,mutagenic
+ONc1ccc(cc1)Oc1ccc(cc1)NC(=O)C,mutagenic
+OCC1OC(SC(=S)N(CC)CC)C(C(C1O)O)O,non-mutagenic
+O=CN(c1ccccc1)O,non-mutagenic
+CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OCC,mutagenic
+Clc1ccc2c(c1)N(C(=O)CC(=O)N2C)c1ccccc1,non-mutagenic
+CC(=O)O[C@@]1(CC[C@@H]2[C@]1(C)C[C@H](O)[C@]1([C@H]2C[C@H](C2=CC(=O)C(=C[C@]12C)Br)F)F)C(=O)COC(=O)C,non-mutagenic
+CC(=C)C(=O)OCCO,non-mutagenic
+OC(COc1cccc2c1OCC(C2)O)CNC(C)C,non-mutagenic
+Nc1ccn(c(=O)n1)[C@@H]1CC[C@@H](O1)CO,mutagenic
+Clc1cccc(c1)c1nc2c(o1)cccc2,non-mutagenic
+Nc1cccc(c1)O,mutagenic
+CCOS(=O)(=O)c1ccccc1,mutagenic
+COc1ccc(cc1N=Nc1c(O)c(cc2c1cccc2)C(=O)Nc1cccc(c1)[N+](=O)[O-])[N+](=O)[O-],mutagenic
+Fc1cc2cccnc2c2c1cccc2,mutagenic
+N/N=C/1\N=NC=C2[C@@H]1C=CC=C2,mutagenic
+[O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])Cl,mutagenic
+CCC(C)C,non-mutagenic
+[N-]=[N+]=NCCC(C(=O)O)N,mutagenic
+OC1C(OC2OC(C(=O)O)C(C(C2O)O)O)C(OC(C1O)C(=O)O)OC1CCC2(C(C1(C)C)CCC1(C2C(=O)C=C2C1(C)CCC1(C2CC(C)(CC1)C(=O)O)C)C)C,non-mutagenic
+NNc1nncc2c1ccnc2,mutagenic
+[O-][N+](=O)c1cccc(c1)[N+](=O)[O-],mutagenic
+Nc1cccc2c1C(=O)c1ccccc1C2=O,mutagenic
+[O-][N+](=O)c1ccc2c(c1)/c(=N/C(=O)c1ccccc1[N+](=O)[O-])/sn2C(=O)c1ccccc1[N+](=O)[O-],mutagenic
+Brc1cc(Br)c(c(c1)c1cc(Br)cc(c1O)Br)OP(=O)(O)O,non-mutagenic
+Cc1cc(C)c2c(c1)c(C)c1c(n2)c2ccccc2cc1,mutagenic
+CCCC[C@H](COC(=O)C(=C(c1ccccc1)c1ccccc1)C#N)CC,non-mutagenic
+COc1ccc(cn1)N=Nc1ccc(cc1)N(C)C,mutagenic
+O=c1oc2cccc3c2c2c1cccc2cc3,non-mutagenic
+NC1=N[C@@H](CS1)C(=O)O,non-mutagenic
+[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])I,mutagenic
+Nc1nc2-c3cccnc3CCc2s1,mutagenic
+Nc1c(C)cccc1O,non-mutagenic
+Nc1ccc2c3c1ccc1c3c(cc2)cc2c1cccc2,mutagenic
+[O-][N+](=O)c1ncc2c(c1)c1cc(cc(c1[nH]2)[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(C1=CC2=CCC3C(C2CC1)(C)CCCC3(C)C(=O)O)C,non-mutagenic
+Cc1cccc2c1c1ccc3c4c1c(c2)ccc4ccc3,mutagenic
+CNc1ccc(cc1)N=Nc1ccccc1,mutagenic
+Nc1cc(C)c(c(c1C)[N+](=O)[O-])N,mutagenic
+CN(C(=O)Nc1ccc(cc1)Cl)C,non-mutagenic
+[O-][N+](=O)O[C@@H]1CO[C@H]2[C@@H]1OC[C@@H]2O[N+](=O)[O-],non-mutagenic
+CCOC(=O)C(NC(C(=O)N1C2CCCCC2CC1C(=O)O)C)CCc1ccccc1,non-mutagenic
+ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl,non-mutagenic
+C1CC[C@@H](NC1)CC(C1CCCCC1)C1CCCCC1,non-mutagenic
+ClC1=C(Cl)C(=O)C(C1=O)(Cl)Cl,non-mutagenic
+CCOC(=O)C(=NNc1ccc(cc1Cl)c1ccc(c(c1)Cl)NN=C(C(=O)OCC)C(=O)OCC)C(=O)OCC,non-mutagenic
+CN(c1ccc(cc1)/C=C/c1ccccc1)C,mutagenic
+Nc1cc(nn1C)C1CC1,mutagenic
+OC(=O)[C@H](Oc1ccc(cc1C)Cl)C,non-mutagenic
+OCCCCN(N=O)CC,mutagenic
+O=C(NS(=O)(=O)c1ccc(cc1)C(=O)C)NC1CCCCC1,non-mutagenic
+[O-][N+](=O)c1ccc2c3c1c1ccccc1c1c3c([C@H]3[C@@H]2O3)ccc1,mutagenic
+CCOC(=O)C(=C)C#N,non-mutagenic
+OCCNc1nc(nc2c1cccc2)c1ccc(s1)[N+](=O)[O-],mutagenic
+Cc1ccc(cc1)NN=NCc1ccc(cc1)[N+](=O)[O-],mutagenic
+CC(N=C=NC(C)C)C,non-mutagenic
+Nc1ccc(cc1)/C=C/c1ccc(cc1)Cl,mutagenic
+c1ccc(cc1)Nc1cccc2c1cccc2,non-mutagenic
+N#[N+]c1nc[nH]c1C(=O)N,mutagenic
+c1ccc2c(c1)c(OCC1CO1)ccc2,mutagenic
+Oc1ccc2c(c1N=Nc1ccc(c(c1)S(=O)(=O)O)C)cccc2,non-mutagenic
+O=C1NC2(C(=O)N1CCN1CC1)CCCCC2,mutagenic
+OC1C2OC2c2c(C1O)ccc1c2cccn1,non-mutagenic
+OC[C@@H](CCl)O,mutagenic
+CC(=O)OCC1=CO[C@H]([C@H]2C1=C[C@@H]([C@]12OC1)OC(=O)CC(C)C)OC(=O)CC(C)C,mutagenic
+CC(=O)c1ccc(c(c1Cl)Cl)Cl,mutagenic
+Cn1c(N)nc2c1cccc2,mutagenic
+OC1COC2(C1OC(=O)C2(O)Cc1c[nH]c2c1cccc2)O,non-mutagenic
+c1ccc2c(c1)cc1c3c2cccc3C=C1,mutagenic
+O=Cc1ccc2c(c1)OCO2,non-mutagenic
+COc1ccc2-c3c4OCOc4cc4c3c(C(=O)c2c1)ncc4,mutagenic
+CC(=O)Nc1cc(ccc1N=Nc1cccnc1)N(C)C,non-mutagenic
+CCN(CCN1C(=O)CN=C(c2c1ccc(c2)Cl)c1ccccc1F)CC,non-mutagenic
+BrCCCCCCCC(=O)O,mutagenic
+Nc1ccc(cc1F)c1ccc(c(c1)F)N,mutagenic
+O=C(c1ccccc1N)OCCc1ccccc1,non-mutagenic
+Nc1c(Oc2ccccc2)cc(c2c1C(=O)c1ccccc1C2=O)O,mutagenic
+Cc1ccc(c(c1)C)N=Nc1c(O)ccc2c1cccc2,mutagenic
+OCc1c2ccc3c4c2c(c2c1cccc2)ccc4ccc3,mutagenic
+OC1C=Cc2c(C1O)cc1c(c2)c2ccccc2cc1C,mutagenic
+Clc1ccc2c(c1)nc1c(n2)cc(c(c1)N)N,mutagenic
+Clc1ccc(cc1Cl)N=Nc1ccc(c(c1)Cl)Cl,non-mutagenic
+Nc1cccc2c1snc2Cl,mutagenic
+c1ccc2c(c1)cc(cc2)OCC1CO1,mutagenic
+O=NN(CCN(C)C)C,mutagenic
+Cc1ccc2-c3c(Cc2c1)cc(cc3)C,non-mutagenic
+COC(=O)c1ccccc1,non-mutagenic
+O=NN(Cc1cccc(c1)C(F)(F)F)C,mutagenic
+O=Cc1cccc(c1Cl)Cl,non-mutagenic
+CCOc1ccc(cc1)NC(=O)N,non-mutagenic
+OCc1ccc(cc1[N+](=O)[O-])N,mutagenic
+O=CN(c1ccc(c(c1)Cl)Cl)O,non-mutagenic
+Cc1ccc(c(c1)S(=O)(=O)O)Nc1ccc(c2c1C(=O)c1ccccc1C2=O)N,mutagenic
+Oc1ccc2c3c1ccc1c3c(cc2)ccc1[N+](=O)[O-],mutagenic
+O=C1C=C(C)C2(C(=C1)CCC1C2CCC2(C1CCC2=O)C)C,non-mutagenic
+N#N=NCC(Cn1cnc2c1ncnc2Cl)O,mutagenic
+O=C1c2ccccc2-c2c3c1ccc1-c4ccccc4C(=O)c(c31)cc2,non-mutagenic
+OCc1ccc2c(c1)nc1c(c2C)ccc2c1cccc2,mutagenic
+[O-][N+](=O)c1ccc2c(c1)c1c(C)ccc(c1[nH]2)C,mutagenic
+COc1ccc(cc1)C(=O)n1ncc(c(c1=O)Cl)Cl,non-mutagenic
+CCC1OC1c1ccccc1,non-mutagenic
+CC(Oc1ccc(cc1)Nc1ccccc1)C,non-mutagenic
+[O-][N+](=O)c1ccc(o1)/C=N/n1cccn1,mutagenic
+O=C1CC[C@@H]2c3c1c(O)ccc3-c1c3[C@@]2(O)[C@H](O)CC(=O)c3c(cc1)O,mutagenic
+[O-][N+](=O)C1=Cc2c3c1cccc3cc1c2ccc2c1cccc2,mutagenic
+OC(=O)Cc1ccc(c(c1)O)O,mutagenic
+ONC(=O)CNC(=O)c1ccccc1,mutagenic
+FC(=C(F)F)Cl,non-mutagenic
+CN1[C@@H](CSCC(F)(F)F)Nc2c(S1(=O)=O)cc(c(c2)Cl)S(=O)(=O)N,non-mutagenic
+O[C@@H]1C=Cc2c([C@H]1O)ccc1c2cc([N+](=O)[O-])c2c1cccc2,mutagenic
+O1CCN(CC1)SSN1CCOCC1,non-mutagenic
+CC(C(=O)N(c1ccc(cc1)Cl)O)C,mutagenic
+OCCN(c1nc(nc2c1cccc2)c1cccs1)CCO,non-mutagenic
+OCCNCCn1c2-c3ccccc3C(=O)c2c2c(c1=O)cccc2,non-mutagenic
+CCOC(=O)CNC(=O)C=[N+]=[N-],mutagenic
+Nc1ccc2c(c1)ccc1c2cccc1,mutagenic
+C1C[C@H]2[C@@H]([C@H]1O[C@H]1CC[C@H]3[C@@H]1O3)O2,non-mutagenic
+Nc1ccc(cc1)Oc1ccccc1,mutagenic
+NCCCN1CCN(CC1)CCCN,non-mutagenic
+CCOC(=O)N(C)C,mutagenic
+Cc1cccs1,non-mutagenic
+Cl[Si](Cl)(Cl)Cl,non-mutagenic
+CO,non-mutagenic
+Nc1ccc(c(c1)C(F)(F)F)Cl,non-mutagenic
+CC=C,mutagenic
+BrCC(=O)Nc1ccc(cc1)C,non-mutagenic
+CC(NC(=O)/C=C\c1ccc(o1)[N+](=O)[O-])C,mutagenic
+COc1cc(CNC(=O)C(Br)C)ccc1OC,mutagenic
+Oc1cccc2c1ccc1c2cc2c3c1C=Cc3ccc2,mutagenic
+[N-]=[N+]=NC[C@H](C(=O)O)N,mutagenic
+CC(=C/C(=N/Nc1nncc2c1cccc2)/C)C,mutagenic
+CC(=O)NC(C(=O)O)CSCCCl,mutagenic
+[O-][N+](=O)c1ccc2-c3c4c(-c2c1)ccc(c4ccc3)[N+](=O)[O-],mutagenic
+CCCCCCCCCCCCCCCCCC(=O)O,non-mutagenic
+[O-][N+](=O)c1ccc(cc1)SSc1ccc(cc1)[N+](=O)[O-],mutagenic
+CCc1ccco1,non-mutagenic
+Cl/C(=C(\C(=C(Cl)Cl)Cl)/Cl)/SCc1ccccc1,mutagenic
+OC1CCN2C1C(=CC2)COC(=O)C(C(O)C)(C(C)C)O,non-mutagenic
+c1ccc2c(c1)cc(cc2)Nc1ccc(cc1)Nc1ccc2c(c1)cccc2,mutagenic
+N#CC(=Cc1ccccc1Cl)C#N,mutagenic
+Brc1ccc(cc1)C1OC1C(=O)c1ccccc1,non-mutagenic
+ClCCN(P1(=O)OCCC(=O)N1)CCCl,mutagenic
+BrCC(c1ccccc1)Br,mutagenic
+O1CCOC2CCCCC2OCCOCCOCCOC2C(OCC1)CCCC2,non-mutagenic
+[O-][N+](=O)c1c(C)c([N+](=O)[O-])c(c(c1C(C)(C)C)[N+](=O)[O-])C,non-mutagenic
+Cc1c(N)c(C)c(c(c1C)N)C,non-mutagenic
+c1ncc[nH]1,non-mutagenic
+Cc1ccccc1NS(=O)(=O)c1cccc2c1nccc2,non-mutagenic
+OCc1c2ccc3c(c2c(c2c1cccc2)CO)cccc3,mutagenic
+BrCC(=O)c1cccc(c1)OC,non-mutagenic
+O[C@@H]1C=Cc2c([C@@H]1O)c1cc3ccc(c4c3c(c1cc2)CC4)C,mutagenic
+CC(=O)Nc1cccc2c1ncc(c2)F,mutagenic
+Nc1ccc(cc1)/C=C/c1cccc(c1)N,mutagenic
+CC(OC(=O)/C=C/c1ccc(o1)[N+](=O)[O-])C,mutagenic
+O=C1C=C(O)c2c(C1=O)cccc2,mutagenic non-mutagenic
+Cl/C=C\C[N+]12CN3CN(C2)CN(C1)C3,mutagenic
+[O-][N+](=O)c1cc(ccc1C)C(=O)O,mutagenic
+ClCCN(c1ccc(cc1)CC(=O)O[C@H]1CC[C@]2([C@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CCC(=O)N2)C)C)CCCl,mutagenic
+On1nnc2c1cccc2,non-mutagenic
+CCc1c(Br)c(Br)c(c(c1Br)Br)Br,non-mutagenic
+O=C1C=CC(=O)C=C1,non-mutagenic
+ClCl,non-mutagenic
+Oc1cccc2c1cccc2,non-mutagenic
+Oc1c(C)cc(c2c1C(=O)c1ccccc1C2=O)O,mutagenic
+O=Cc1ccc2-c1cocc2COC(=O)CC(C)C,mutagenic
+O[C@@H]1[C@@H](O)[C@H]2O[C@]32c2c1cccc2-c1c3ccc2c1cccc2,mutagenic
+CCCCOCCOCCOCc1cc2OCOc2cc1CCC,non-mutagenic
+Cc1cccc(c1)OP(=O)(Oc1cccc(c1)C)Oc1cccc(c1)C,non-mutagenic
+ClCC(CCl)(CCl)CCl,non-mutagenic
+OC1C=Cc2c(C1O)c1sc3c(c1cc2)cccc3,non-mutagenic
+C=Cc1ccncc1,non-mutagenic
+CCCCCCCCC(CCC(CC(C(C(CC(=O)OC)Cl)Cl)Cl)Cl)Cl,non-mutagenic
+COP(=O)(Oc1ccc(c(c1)C)[N+](=O)[O-])OC,mutagenic
+CC(NCC(c1ccc2c(c1)cccc2)O)C,non-mutagenic
+N[C@@H]1CC[C@H](CC1)N,non-mutagenic
+ONc1nc(N)nc2c1[nH]cn2,mutagenic
+[O-][N+](=O)c1cccc2c1oc(=O)c1c2cccc1,mutagenic
+Cl[C@]12C(Cl)(Cl)[C@@]3([C@@]4([C@@]1(Cl)[C@@]1([C@@]2(Cl)[C@]3([C@]4(C1(Cl)Cl)Cl)Cl)Cl)Cl)Cl,non-mutagenic
+NC(C(=O)NCC(=O)O)CS,mutagenic
+CNC(=O)ONC(=O)C,mutagenic
+Cc1ccc(c(c1)N)[N+](=O)[O-],non-mutagenic
+Cc1ccc2c3c1CCc3c1c(-c3ccccc3C3C1N3)c2,mutagenic
+Fc1ccnc2c1cccc2,mutagenic
+CCN(CCNc1ccc(c2c1c(=O)c1c(s2)cccc1)C)CC,mutagenic
+Cc1cccc(c1O)C,non-mutagenic
+COCOC,non-mutagenic
+NCCCS(=O)(=O)Nc1ccc(cc1)Nc1c2ccc(cc2nc2c1ccc(c2)N=N#N)N=N#N,mutagenic
+CCOC(=O)CNC(=O)C(Br)(C)C,non-mutagenic
+Oc1ccc(nn1)O,non-mutagenic
+Cc1c(C)cccc1N,mutagenic
+Oc1ccc(c(c1)[N+](=O)[O-])[N+](=O)[O-],mutagenic
+N#Cc1ccccc1C,non-mutagenic
+COc1ccc(cc1)CC=C,non-mutagenic
+COc1cccc2c1C(=O)c1c(O)c3[C@@H](O[C@H]4C[C@H](N)[C@@H]([C@@H](O4)C)O)C[C@](Cc3c(c1C2=O)O)(O)/C(=N/NC(=O)c1ccccc1)/C,mutagenic
+CCOC(=O)NNc1nncc2c1cccc2,mutagenic
+[O-][N+](=O)c1ccc(o1)/C=C/C(=O)NCCCC,mutagenic
+CC(=O)OC1(CCC2C1(C)CCC1C2C=C(C2=CC(=O)C3C(C12C)C3)Cl)C(=O)C,non-mutagenic
+OCC(CO)O,non-mutagenic
+O=Nc1ccc(cc1C)OP(=S)(OC)OC,mutagenic
+O/N=C/C1N(COCCC([N+](=O)[O-])(C)C)C=CN1C,non-mutagenic
+O=C(C1OC1c1ccc(cc1)Oc1ccccc1)c1ccccc1,non-mutagenic
+CN(N=Nc1ccc(cc1)Cl)C,mutagenic
+CCCCCCCCCCCCCCCCCCCC,non-mutagenic
+OC(=O)c1ccccc1Cl,non-mutagenic
+NCC(=O)NCc1nc(nn1c1ccc(cc1C(=O)c1ccccc1Cl)Cl)C(=O)N(C)C,non-mutagenic
+CCCC/C=C/C=C/C=C/C=C/C=C/OC,mutagenic
+CCCCOS(=O)(=O)C,mutagenic
+[O-][N+](=O)c1ccc2c3c1CCc3ccc2,mutagenic
+Nc1ccccc1,non-mutagenic
+Oc1ccc2c(-c3ccc(c4c3c(C2=O)ccc4)O)c1,mutagenic
+N#CC1=C(C#N)C(=O)C(=C(C1=O)Cl)Cl,non-mutagenic
+CCOC(=O)N,mutagenic
+c1ccc(cc1)CN1CCN=N1,mutagenic
+O/N=C/C1N(CCS(=O)(=O)C)C=CN1C,non-mutagenic
+OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc(nc1=O)N,mutagenic
+BrC(C#N)Br,mutagenic
+Clc1ccc(cc1)c1nc2n(c1[N+](=O)[O-])ccs2,mutagenic
+CCn1cc(C(=O)O)c(=O)c2c1nc(nc2)N1CCNCC1,mutagenic
+O=NN1CCCCCC1,mutagenic
+Nc1ccc2c3c1ccc1c3c(cc2)ccc1[N+](=O)[O-],mutagenic
+FC(c1ccc(cc1)Cl)(F)F,non-mutagenic
+O=CC(=O)C,mutagenic
+Clc1ccc(c(c1)Cl)[N+](=O)[O-],mutagenic
+CN(c1ccc(cc1)C(=C1C=CC(=[N+](C)C)C=C1)c1c2ccc(cc2cc(c1O)S(=O)(=O)O)S(=O)(=O)O)C,non-mutagenic
+CC(=O)Oc1c(OC(=O)C)c2c(ccc3c2c2c1cccc2c1c3cccc1)[N+](=O)[O-],mutagenic
+CCCCCCCCCCCCc1ccccc1,non-mutagenic
+COCN(c1c(CC)cccc1CC)C(=O)CO,non-mutagenic
+CC(=C)C1CCC(=C)C2C1C=C(C)C(=O)C1=C2C(=O)C(C1)C,non-mutagenic
+Clc1cccc(c1)[N+](=O)[O-],non-mutagenic
+OCc1occ(c(=O)c1)O,mutagenic
+Oc1ccc(cc1)Cl,non-mutagenic
+O=C([C@H]1O[C@@H]1c1ccccc1)c1ccccc1,mutagenic
+ONc1ccc(cc1)Cl,non-mutagenic
+O=C(Nc1ccccc1)N[C@@H]1CCCC[C@H]1C,non-mutagenic
+Clc1cccc2c1oc1c2cccc1,non-mutagenic
+[O-][N+](=O)c1cc(Cl)c(c(c1)Cl)Cl,mutagenic
+CC(=O)Nc1ccc2-c3c(Cc2c1)cc(cc3)O,mutagenic
+COC1OCC(C(C1OS(=O)(=O)O)OS(=O)(=O)O)COCC1OCC(C(C1OS(=O)(=O)O)OS(=O)(=O)O)OC,non-mutagenic
+O=Nn1cc(c2c1cccc2)CC(C(=O)O)O,mutagenic
+COC(=O)Nc1nc2c([nH]1)cccc2,mutagenic
+ClCc1cccc2-c3c4c(-c12)cccc4ccc3,mutagenic
+CCCN(N=O)CCC,mutagenic
+c1ccc(cc1)CNc1ncnc2c1[nH]cn2,non-mutagenic
+OS(=O)(=O)O.Oc1cccc2c1nccc2.Oc1cccc2c1nccc2,mutagenic
+CO[C@H]1C[C@H](O[C@H]2[C@@H](C)/C=C/C=C/3\CO[C@H]4[C@]3(O)[C@@H](C=C([C@H]4O)C)C(=O)O[C@H]3C[C@@H](C/C=C/2\C)O[C@]2(C3)C=C[C@@H]([C@H](O2)[C@H](CC)C)C)O[C@H]([C@@H]1O[C@H]1C[C@H](OC)[C@H]([C@@H](O1)C)O)C,non-mutagenic
+N#C[C@H](c1cccc(c1)Oc1ccccc1)OC(=O)[C@@H]1[C@@H](C1(C)C)/C=C\C(=O)OC(C(F)(F)F)C(F)(F)F,non-mutagenic
+Clc1cc(N)c(c(n1)C(=O)O)Cl,non-mutagenic
+COc1nc(nc(c1)O)NC(=O)NS(=O)(=O)c1n(C)ncc1c1nnn(n1)C,non-mutagenic
+COc1cc(OC)nc(n1)N,non-mutagenic
+Cn1nnc(n1)c1cnn(c1S(=O)(=O)N)C,non-mutagenic
+O=C1NS(=O)(=O)Cc2c1cccc2,non-mutagenic
+COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)Cc1ccccc1C(=O)O,non-mutagenic
+COC(=O)c1ccccc1CS(=O)(=O)N,non-mutagenic
+CC(OC(=O)N[C@@H](C(=O)N[C@@H](c1nc2c(s1)cc(cc2)F)C)C(C)C)C,mutagenic
+OC(C(C)(C)C)C(n1cncn1)Oc1ccc(cc1)c1ccccc1,non-mutagenic
+Fc1ccc(c(c1)c1ccc(c(c1)Cl)Cl)NC(=O)c1cn(nc1C(F)F)C,non-mutagenic
+Brc1ccc(cc1)c1ccc(cc1)C(CC(c1c(=O)oc2c(c1O)cccc2)c1ccccc1)O,non-mutagenic
+BrC1COC(C1)(Cn1cncn1)c1ccc(cc1Cl)Cl,non-mutagenic
+CCCCc1c(C)nc(nc1OS(=O)(=O)N(C)C)NCC,non-mutagenic
+CCCCc1c(=O)nc([nH]c1C)NCC,non-mutagenic
+CC(N1C(=NC(C)(C)C)SCN(C1=O)c1ccccc1)C,non-mutagenic
+CCOP(=O)(SC(CC)C)SC(CC)C,non-mutagenic
+ClC(SN1C(=O)C2C(C1=O)CC=CC2)(Cl)Cl,mutagenic
+Cc1ccc(c2c1cccc2)C,non-mutagenic
+CC1=CC1,non-mutagenic
+[O-]C(=O)Cc1cccc2c1cccc2.[Na+],non-mutagenic
+COC1CC(OC2C(C)C=CC=C3COCC4C3(O)C(C=C(C4O)C)C(=O)OC3CC(CC=C2C)OC2(C3)C=CC(C(O2)C(CC)C)C)OC(C1OC1CC(OC)C(C(O1)C)O)C,non-mutagenic
+CO[C@H]1C[C@H](OC[C@]2(C)C=CC=C3CO[C@H]4[C@]3(O)[C@@H](C=C([C@H]4O)C)C(=O)O[C@H]3C[C@@H](CC=C2C)O[C@]2(C3)C=C[C@@H]([C@H](O2)[C@H](CC)C)C)O[C@H]([C@@H]1O[C@H]1C[C@H](OC)[C@H]([C@@H](O1)C)O)C,non-mutagenic
+CCCCCCCCCCCCC1=C(OC(=O)C)C(=O)c2c(C1=O)cccc2,non-mutagenic
+CCCCCCCCCCC(=O)C(=O)c1ccccc1C(=O)O,non-mutagenic
+CSC(=O)c1cccc2c1snn2,non-mutagenic
+OC(=O)c1cccc2c1snn2,mutagenic
+OC(=O)c1ccc(c2c1snn2)O,non-mutagenic
+Oc1cc2nnsc2c(c1)C(=O)O,non-mutagenic
+Clc1c(ccc(c1N)[N+](=O)[O-])Oc1ccccc1,non-mutagenic
+N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)/C=C\C(=O)O,non-mutagenic
+OC(=O)/C=C\C1C(C1(C)C)C(=O)O,non-mutagenic
+[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Al+3].O.O.O.O.O.O.O.O.O.O.O.O.[NH4+],non-mutagenic
+[Mg+2].[Mg+2].[Mg+2].[P-3].[P-3],non-mutagenic
+P,non-mutagenic
+[Al]#P,non-mutagenic
+COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)N(S(=O)(=O)C)C,non-mutagenic
+COc1nc(nc(c1)O)NC(=O)NS(=O)(=O)N(S(=O)(=O)C)C,non-mutagenic
+Oc1cc(=O)[nH]c(n1)N,non-mutagenic
+CCNC(=O)C(OC(=O)Nc1ccccc1)C,non-mutagenic
+Fc1ccc2c(c1)n(c(c2Br)C)S(=O)(=O)c1ncn(n1)S(=O)(=O)N(C)C,non-mutagenic
+Cc1c(Br)c2c(n1S(=O)(=O)C1=NN=C[N]1)cc(cc2)F,non-mutagenic
+CO/C=C(\c1ccccc1Oc1ncnc(c1)Oc1ccccc1C#N)/C(=O)OC,non-mutagenic
+N#Cc1ccccc1Oc1ncnc(c1)Oc1ccccc1/C(=C/C(=O)C)/C(=O)O,non-mutagenic
+OCC(C1OC(=O)C(=C1O)O)O,non-mutagenic
+C/C=C(/C(=O)OC1CC(OC(=O)C)C2(C3C41COC(C4C(C)(C(C3OC2)O)C12OC2(C)C2CC1OC1C2(O)C=CO1)(O)C(=O)OC)OC(=O)C)\C,non-mutagenic
+CCCCN(c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])CC,non-mutagenic
+COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)c1n(C)ncc1c1nnn(n1)C,non-mutagenic
+CCOC(=O)CCN(C(C)C)SN(C(=O)Oc1cccc2c1OC(C2)(C)C)C,non-mutagenic
+COc1nc(nc(c1)OC)NC(=O)NS(=O)(=O)Cc1ccccc1C(=O)OC,non-mutagenic
+CC(N1C(=O)c2ccccc2[N-]S1(=O)=O)C.[Na+],non-mutagenic
+CC(N1C(=O)c2cccc(c2NS1(=O)=O)O)C,non-mutagenic
+COC(=O)C(N(c1c(C)cccc1C)C(=O)Cc1ccccc1)C,non-mutagenic
+COC(=O)C(N(c1c(C)cccc1C)C(=O)CC(=O)O)C,non-mutagenic
+CC(N(c1c(C)cccc1C)C(=O)CC(=O)O)C(=O)O,non-mutagenic
+Fc1ccc2c(c1)sc(n2)O,non-mutagenic
+Fc1ccc2c(c1)sc(n2)C(O)C,non-mutagenic
+Fc1ccc2c(c1)sc(n2)C(=O)C,mutagenic
+CC(OC(=O)NC(C(=O)NC(c1sc2c(n1)cc(c(c2)F)O)C)C(C)C)C,non-mutagenic
+C#CCOC(=O)[C@H](Oc1ccc(cc1)Oc1ncc(cc1F)Cl)C,non-mutagenic
+O=C1N(OCC1(C)C)Cc1ccccc1Cl,non-mutagenic
+O=C1NOCC1(C)C,non-mutagenic
+COC(=O)C(Oc1ccc(cc1)Oc1ccc(cc1Cl)Cl)C,non-mutagenic
+COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c1ccccc1Cl,non-mutagenic
+Clc1ccccc1S(=O)(=O)N,non-mutagenic
+O=C(NS(=O)(=O)c1ccccc1Cl)NC(=N)/N=C(/O)\N,non-mutagenic
+Clc1ccc(c(n1)C(=O)O)Cl,non-mutagenic
+CCCCOC(=O)C(Oc1ccc(cc1)Oc1ccc(cc1F)C#N)C,non-mutagenic
+CC(C(=O)NC(=O)O)OC(=O)Nc1ccccc1,non-mutagenic
+O=S1CCOC(=C1C(=O)N)C,non-mutagenic
+OC(=O)[C@H](Oc1ccc(cc1Cl)Cl)C,non-mutagenic
+Fc1ccc(c(c1)F)NC(=O)c1cccnc1Oc1cccc(c1)C(F)(F)F,non-mutagenic
+OC(=O)c1cccnc1Oc1cccc(c1)C(F)(F)F,non-mutagenic
+Nc1nc(NC2CC2)nc(n1)N,non-mutagenic
+CCCCCCCCCC[N+](CCCCCCCCCC)(C)C.[Cl-],non-mutagenic
+Clc1ccccc1c1nnc(nn1)c1ccccc1Cl,non-mutagenic
+CCNC(=O)NC(=O)/C(=N/OC)/C#N,non-mutagenic
+O=C1NCC[n+]2c1cccc2,non-mutagenic
+CC1OC(C)CN(C1)C1CCCCCCCCCCC1.CC(=O)O,non-mutagenic
+CC(=O)O.CCCCCCCCCCCCNC(=N)N,non-mutagenic
+Fc1ccc(cc1)C1(Cn2cncn2)OC1c1ccccc1Cl,non-mutagenic
+COc1c(Cl)cc(c(c1C(=O)O)Cl)O,non-mutagenic
+N#CC(C(c1ccc(cc1)Cl)C(C)C)c1cccc(c1)Oc1ccccc1,non-mutagenic
+NC(=O)C(c1cccc(c1)Oc1ccccc1)OC(=O)C(c1ccc(cc1)Cl)C(C)C,non-mutagenic
+CCOc1snc(n1)C(Cl)(Cl)Cl,non-mutagenic
+CCOc1nc(ns1)C(=O)O,non-mutagenic
+O=C(N=C(c1c(F)c(F)ccc1C(F)(F)F)NOCC1CC1)Cc1ccccc1,non-mutagenic
+N/C(=N\OCC1CC1)/c1c(F)c(F)ccc1C(F)(F)F,non-mutagenic
+NC(=N)c1c(F)c(F)ccc1C(F)(F)F,non-mutagenic
+NC(=O)c1c(F)c(F)ccc1C(F)(F)F,non-mutagenic
+O=C(N/C(=N\OCC1CC1)/c1c(F)c(F)ccc1C(F)(F)F)CC(=O)O,non-mutagenic
+O=C(N/C(=N/OCC1CC1)/c1c(F)c(F)ccc1C(F)(F)F)Cc1ccccc1,non-mutagenic
+OC(=O)C1CC1,non-mutagenic
+OCC1CC1,non-mutagenic
+CC(C(c1ccc(cc1)Cl)(Cn1ncnc1)O)C1CC1,non-mutagenic
+OC(=O)/C=C/C(C(c1ccc(cc1)Cl)(Cn1cncn1)O)C,non-mutagenic
+OC(=O)CC(C(C(c1ccc(cc1)Cl)(Cn1cncn1)O)C)O,non-mutagenic
+Cc1nc(Nc2ccccc2)nc(c1)C1CC1,non-mutagenic
+Cc1cc(nc(n1)N)C1CC1,non-mutagenic
+Cc1nc(Nc2cccc(c2)O)nc(c1)C1CC1,non-mutagenic
+OCc1nc(N)nc(c1)C1CC1,non-mutagenic
+Cc1cc(nc(n1)O)C1CC1,non-mutagenic
+OCc1nc(Nc2ccccc2)nc(c1)C1CC1,non-mutagenic
+COc1cc(ccc1OC)/C(=C/C(=O)N1CCOCC1)/c1ccc(cc1)Cl,non-mutagenic
+COCCN(c1c(C)cccc1C)C(=O)CCl,non-mutagenic
+COCCN(c1c(C)cccc1C)C(=O)C(=O)O,non-mutagenic
+COCCN(c1c(C)cccc1C)C(=O)CS(=O)(=O)O[Na],non-mutagenic
+[Na]OS(=O)(=O)CC(=O)Nc1c(C)cccc1C,non-mutagenic
+COC(=O)CN(c1c(C)cccc1C)C(=O)CS(=O)(=O)O[Na],non-mutagenic
+OCC(=O)N(c1c(C)cccc1C)CCSCC(C(=O)O)O,non-mutagenic
+COCCN(c1c(C)cccc1C(=O)O)C(=O)CO,non-mutagenic
+CCOc1cc(ccc1OCC)NC(=O)OC(C)C,non-mutagenic
+CCOc1ccc(cc1)C(COCc1cccc(c1)Oc1ccccc1)(C)C,non-mutagenic
+CCOc1ccc(cc1)C(COC(=O)c1cccc(c1)Oc1ccccc1)(C)C,non-mutagenic
+CON=C(c1ccccc1COc1cc(C)ccc1C)C(=O)NC,non-mutagenic
+CO/N=C(\c1ccccc1CO)/C(=O)NC,non-mutagenic
+[O-]P(=O)=O.[Na+].[Na+],non-mutagenic
+O=C(C1C(C1(C)C)/C=C(/C(F)(F)F)\Cl)OCc1cccc(c1C)c1ccccc1,non-mutagenic
+Oc1cccc2c1OC(C2)(C)C,non-mutagenic
+CNC(=O)Oc1cccc2c1OC(C2O)(C)C,non-mutagenic
+COc1nc(Oc2cccc(c2C(=O)[O-])Oc2nc(OC)cc(n2)OC)nc(c1)OC.[Na+],non-mutagenic
+COc1cc(OC)[nH]c(=O)n1,non-mutagenic
+COc1cc(=O)[nH]c(=O)[nH]1,non-mutagenic
+COc1cc(OC)nc(n1)Oc1cccc(c1C(=O)O)Oc1nc(OC)c(c(n1)OC)O,non-mutagenic
+COc1nc(nc(c1)O)Oc1cccc(c1C(=O)[O-])O.[Na+],non-mutagenic
+COc1cc(OC)nc(n1)Oc1cccc(c1C(=O)O)O,non-mutagenic
+COc1cc(O)nc(n1)Oc1cccc(c1C(=O)[O-])Oc1nc(OC)cc(n1)OC.[Na+],non-mutagenic
+Fc1ccc2c(c1)sc(n2)c1nc2c(s1)cc(cc2)F,mutagenic
+Cl/C=C/CO/N=C(/C1=C(O)CC(CC1=O)CC(SCC)C)\CC,mutagenic
+CCC(=N)C1=C(O)CC(CC1=O)CC(S(=O)(=O)CC)C,non-mutagenic
+Cl/C=C/CO/N=C(/C1=C(O)CC(CC1=O)(O)CC(S(=O)(=O)CC)C)\CC,non-mutagenic
+Cl/C=C/CO/N=C(/C1=C(O)CC(CC1=O)CC(S(=O)(=O)CC)C)\CC,mutagenic
+CCc1oc2c(n1)C(=O)CC(C2)CC(S(=O)(=O)CC)C,non-mutagenic
+CCOc1nc(NC(=O)N)nc(n1)NC,non-mutagenic
+CCOc1nc(NC)nc(n1)N,non-mutagenic
+CCOc1nc(nc(n1)NC)NC(=O)NS(=O)(=O)c1ccccc1C(=O)O,non-mutagenic
+CNc1nc(nc(n1)O)NC(=O)NS(=O)(=O)c1ccccc1C(=O)OC,non-mutagenic
+COC(=O)c1ccccc1S(=O)(=O)NC(=O)Nc1nc(N)nc(n1)O,non-mutagenic
+CCOc1nc(nc(n1)N)NC(=O)NS(=O)(=O)c1ccccc1C(=O)O,non-mutagenic
+OC(=O)c1ccccc1S(=O)(=O)N,non-mutagenic
+CCOc1nc(N)nc(n1)N,non-mutagenic
+CCCSP(=O)(SCCC)OCC,non-mutagenic
+N#Cc1sc2=c(sc1C#N)c(=O)c1c(c2=O)cccc1,non-mutagenic
+COC(=O)c1c(Cl)c(Cl)c(c(c1Cl)Cl)C(=O)OC,non-mutagenic
+OC(=O)c1c(Cl)c(Cl)c(c(c1Cl)Cl)C(=O)O,non-mutagenic
+COC(=O)c1c(Cl)c(Cl)c(c(c1Cl)Cl)C(=O)O,non-mutagenic
+COC(=O)[C@H](N(c1c(C)cccc1C)C(=O)Cc1ccccc1)C,non-mutagenic
+N#Cc1cc(C)c(c(c1)C(=O)NC)NC(=O)c1cc(nn1c1ncccc1Cl)Br,non-mutagenic
+CNC(=O)c1cc(cc(c1NC(=O)c1cc(nn1c1ncccc1Cl)Br)C)C(=O)O,non-mutagenic
+Brc1nn(c(c1)c1nc(=O)c2c([nH]1)c(C)cc(c2)C(=O)O)c1ncccc1Cl,non-mutagenic
+CNC(=O)C1=NN=C([CH]1)Br,non-mutagenic
+N#Cc1cc(C)c2c(c1)c(=O)n1c(n2)c(Cl)ccc1,non-mutagenic
+OCC=C(CCC=C(C)C)C,non-mutagenic
+CNC(=O)c1cc(Cl)cc(c1NC(=O)c1cc(nn1c1ncccc1Cl)Br)C,non-mutagenic
+Clc1cc(C)c2c(c1)c(=O)n(c(n2)c1cc(nn1c1ncccc1Cl)Br)C,non-mutagenic
+Clc1cc(C)c2c(c1)c(=O)n(c(n2)C1=NN=C([CH]1)Br)C,non-mutagenic
+Clc1cc(C)c2c(c1)c(=O)n1c(n2)c(Cl)ccc1,non-mutagenic
+CCCCN(SN(C(=O)Oc1cccc2c1OC(C2)(C)C)C)CCCC,non-mutagenic
+Nc1cn[nH]c(=O)c1Cl,non-mutagenic
+Cn1ncc(c(c1=O)Cl)N,non-mutagenic
+Cc1cc(C)cc(c1)C(=O)N(C(C)(C)C)NC(=O)c1ccc2c(c1C)CCCO2,non-mutagenic
+Cc1cc(C)cc(c1)C(=O)N(C(C)(C)C)NC(=O)c1ccc2c(c1C)C(O)CCO2,non-mutagenic
+O=C1CCc2c(O1)ccc(c2C)C(=O)NN(C(C)(C)C)C(=O)c1cc(C)cc(c1)C,non-mutagenic
+Cc1cc(cc(c1)C(=O)O)C(=O)N(C(C)(C)C)NC(=O)c1ccc2c(c1C)C(O)CCO2,non-mutagenic
+ClCC[N+](C)(C)C.[Cl-],non-mutagenic
+COCCOC(=O)C(C(=O)c1ccccc1C(F)(F)F)(c1ccc(cc1)C(C)(C)C)C#N,non-mutagenic
+OC(=O)c1ccccc1C(F)(F)F,non-mutagenic
+NC(=O)c1ccccc1C(F)(F)F,mutagenic
+CCOC(=O)C(Cc1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C)Cl,non-mutagenic
+OC(=O)C(Cc1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C)Cl,non-mutagenic
+Fc1cc(Cl)c(cc1n1nc(n(c1=O)C(F)F)C)C(=O)O,non-mutagenic
+OC(=O)CCc1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C,non-mutagenic
+OC(=O)/C=C/c1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C,non-mutagenic
+OC(=O)C(Cc1cc(c(cc1Cl)F)n1ncn(c1=O)C(F)F)Cl,non-mutagenic
+OC(=O)C(S(=O)(=O)O)Cc1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C,non-mutagenic
+FC(n1c(C)n[nH]c1=O)F,non-mutagenic
+OCc1nn(c(=O)n1C(F)F)c1cc(C(=O)O)c(cc1F)Cl,non-mutagenic
+COc1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C,non-mutagenic
+OC(=O)c1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C(=O)O,non-mutagenic
+Clc1cccc(c1)NC(=O)N(C)C,non-mutagenic
+CN(C(=O)Nc1cc(Cl)cc(c1)Cl)C,non-mutagenic
+CCO/N=C(/C1=C(O)CC(CC1=O)C1CCCSC1)\CCC,non-mutagenic
+CCO/N=C(/C1=C(O)CC(CC1=O)(O)C1CCCS(=O)C1)\CCC,non-mutagenic
+CCO/N=C(/C1=C(O)CC(CC1=O)C1CCCS(=O)C1)\CCC,non-mutagenic
+OC(=O)CC(C1CCCS(=O)(=O)C1)CC(=O)O,non-mutagenic
+OC(=O)CC(C1CCCS(=O)C1)CC(=O)O,non-mutagenic
+CCOC1Oc2c(C1(C)C)cc(cc2)OS(=O)(=O)C,non-mutagenic
+OC(=O)C(c1cc(ccc1O)OS(=O)(=O)C)(C)C,non-mutagenic
+Clc1[nH]c(=O)c(cc1Cl)Cl,non-mutagenic
+COC(=O)Nc1nc2c([nH]1)cc(cc2)O,non-mutagenic
+CC(c1ccc(cc1)CCOc1ncnc2c1cccc2)(C)C,non-mutagenic
+CC(c1ccc(cc1)C(C)(C)C)O,non-mutagenic
+O=c1nc[nH]c2c1cccc2,non-mutagenic
+Cc1nn(c(c1/C=N/OCc1ccc(cc1)C(=O)OC(C)(C)C)Oc1ccccc1)C,non-mutagenic
+CN=C=S,non-mutagenic
+CCCCOC(=O)[C@H](Oc1ccc(cc1)Oc1ccc(cn1)C(F)(F)F)C,non-mutagenic
+O=c1ccc(c[nH]1)C(F)(F)F,mutagenic
+Nc1ncn[nH]1,mutagenic
+N#Cc1c[nH]cc1c1cccc2c1OC(O2)(F)F,non-mutagenic
+OC(=O)c1cccc2c1OC(O2)(F)F,non-mutagenic
+N#CC1=C(C(=O)NC1=O)c1cccc2c1OC(O2)(F)F,non-mutagenic
+NC(=O)C(c1cccc2c1OC(O2)(F)F)O,non-mutagenic
+N#CC1C(=O)NC(=O)C1c1cccc2c1OC(O2)(F)F,non-mutagenic
+N#CC1(OC1(C(=O)N)c1cccc2c1OC(O2)(F)F)C(=O)O,non-mutagenic
+OC(=O)C1C2C3(C4C51CC(=C)C(C5)(O)CC4)C=CC(C2(C)C(=O)O3)O,non-mutagenic
+ClOCl.[Cu+2],mutagenic
+[O-]S(=O)(=O)[O-].[Cu+2].[Cu+2].[Cu+2].[Cu+2].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-],mutagenic
+[Cu].[Cu].O,non-mutagenic
+[O-]S(=O)(=O)[O-].[Cu+2].O.O.O.O.O,non-mutagenic
+[O-]c1cccc2c1nccc2.[O-]c1cccc2c1nccc2.[Cu+2],mutagenic
+[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Cu+2].[Cu+2].[Cu+2].[OH-].[OH-],non-mutagenic
+Cl[Cu]Cl,non-mutagenic
+O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(cc1F)Oc1ccc(cc1Cl)C(F)(F)F,non-mutagenic
+NC(=O)Nc1ccc(cc1F)Oc1ccc(cc1Cl)C(F)(F)F,non-mutagenic
+Clc1cc(ccc1Oc1ccc(c(c1)F)N)C(F)(F)F,mutagenic
+CNC(=O)Nc1cccc(c1)C(F)(F)F,non-mutagenic
+[O-]P(=O)(OC)O,non-mutagenic
+CC1COC(O1)(Cn1cncn1)c1ccc(cc1Cl)Oc1ccc(cc1)Cl,non-mutagenic
+Clc1ccc(cc1)Oc1ccc(c(c1)Cl)C(=O)O,non-mutagenic
+c1ncn[nH]1,non-mutagenic
+Clc1ccc(cc1)Oc1ccc(c(c1)Cl)C(=O)Cn1cncn1,non-mutagenic
+Clc1ccc(cc1)Oc1ccc(c(c1)Cl)C(Cn1cncn1)O,non-mutagenic
+CNC(=O)CSP(=O)(OC)OC,mutagenic
+O=C(NC(=O)c1c(F)cccc1F)Nc1cc(Cl)c(c(c1F)Cl)F,non-mutagenic
+Fc1c(N)cc(c(c1Cl)F)Cl,non-mutagenic
+NC(=O)Nc1cc(Cl)c(c(c1F)Cl)F,non-mutagenic
+[O-]C(=O)C(CCP(=O)(O)C)N.[NH4+],non-mutagenic
+CC(=O)NC(C(=O)O)CCP(=O)(O)C,non-mutagenic
+OC(=O)CCP(=O)(O)C,non-mutagenic
+OC(=O)CP(=O)(O)C,non-mutagenic
+COc1nc(nc(c1)OC)NC(=O)NS(=O)(=O)c1n(C)nc(c1C(=O)OC)Cl,non-mutagenic
+OC(=O)c1c(Cl)nn(c1S(=O)(=O)N)C,non-mutagenic
+COc1cc(OC)nc(n1)Cc1n(C)nc(c1C(=O)O)Cl,non-mutagenic
+Clc1ccc(c(c1)Cl)C(Cn1cncn1)COC(C(F)F)(F)F,non-mutagenic
+OC(=O)C(c1ccc(cc1Cl)Cl)Cn1cncn1,non-mutagenic
+OC(=O)Cn1cncn1,non-mutagenic
+Clc1ccc(c(c1)Cl)C(Cn1cncn1)COC(C(=O)O)(F)F,non-mutagenic
+Clc1cc(cnc1CNC(=O)c1c(Cl)cccc1Cl)C(F)(F)F,mutagenic
+NC(=O)c1c(Cl)cccc1Cl,non-mutagenic
+OC(=O)c1ncc(cc1Cl)C(F)(F)F,non-mutagenic
+NC(=O)c1c(Cl)ccc(c1Cl)O,non-mutagenic
+CS(=O)c1cc(cnc1C(=O)O)C(F)(F)F,non-mutagenic
+OC(=O)c1ccc(cc1S(=O)(=O)O)C(F)(F)F,non-mutagenic
+Oc1ncc(cc1S(=O)(=O)C)C(F)(F)F,non-mutagenic
+O=C1CCCC(=O)C1C(=O)c1ccc(c(c1Cl)COCC(F)(F)F)S(=O)(=O)C,non-mutagenic
+OC(=O)c1ccc(c(c1Cl)COCC(F)(F)F)S(=O)(=O)C,non-mutagenic
+O=C1C(O)CC(C(=O)C1C(=O)c1ccc(c(c1Cl)COCC(F)(F)F)S(=O)(=O)C)O,non-mutagenic
+OCc1c(Cl)c(ccc1S(=O)(=O)C)C(=O)O,non-mutagenic
+O=C1CCCc2c1c(=O)c1c(o2)c(COCC(F)(F)F)c(cc1)S(=O)(=O)C,non-mutagenic
+Cn1nc(c(c1)C(=O)Nc1ccccc1c1cc(F)c(c(c1)F)F)C(F)F,non-mutagenic
+Cn1nc(c(c1)C(=O)O)C(F)F,non-mutagenic
+FC(C1=C(C=N[N]1)C(=O)O)F,non-mutagenic
+OC[C@H]1O[C@@H](On2nc(c(c2)C(=O)Nc2ccccc2c2cc(F)c(c(c2)F)F)C(F)F)[C@@H]([C@H]([C@@H]1O)O)O,non-mutagenic
+COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c1ccsc1C(=O)OC,non-mutagenic
+COc1nc(C)nc(n1)N,non-mutagenic
+OC(=O)c1sccc1S(=O)(=O)N,non-mutagenic
+COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c1ccsc1C(=O)O,non-mutagenic
+NC(=O)Nc1nc(C)nc(n1)C(=O)C,non-mutagenic
+O=C1NS(=O)(=O)c2c1scc2,non-mutagenic
+Cc1nc(nc(n1)O)NC(=O)NS(=O)(=O)c1ccsc1C(=O)O,non-mutagenic
+COC(=O)c1sccc1S(=O)(=O)N,non-mutagenic
+[O-][N+](=O)/N=C\1/N(Cc2cnc(s2)Cl)COCN1C,non-mutagenic
+[O-][N+](=O)NC(=NC)NCc1cnc(s1)Cl,non-mutagenic
+CN1COCN(C1=N)Cc1cnc(s1)Cl,non-mutagenic
+COc1ncc(c2n1nc(n2)S(=O)(=O)Nc1c(F)cccc1F)F,non-mutagenic
+Fc1cccc(c1NS(=O)(=O)c1nn2c(n1)c(F)cnc2O)F,non-mutagenic
+OC(=O)c1n[nH]c(n1)S(=O)(=O)N,non-mutagenic
+NS(=O)(=O)c1ncn[nH]1,non-mutagenic
+Oc1cccc2c1OC(C2O)(C)C,non-mutagenic
+Clc1ccc(c(c1)Cl)C1(C=CCO1)Cn1cncn1,non-mutagenic
+N#Cc1ccccc1Oc1ncnc(c1)Oc1ccccc1C(=O)O,non-mutagenic
+COC(=O)[C@H](N(c1c(C)cccc1C)C(=O)CC(=O)O)C,non-mutagenic
+COC(=O)C(N(c1c(C)cccc1C(=O)O)C(=O)CC(=O)O)C,non-mutagenic
+OC(=O)CC(=O)N(c1c(C)cccc1C(=O)O)C(C(=O)O)C,non-mutagenic
+CC(N1C(=O)SCN(C1=O)c1ccccc1)C,non-mutagenic
+CC(N(C(=O)NC(C)(C)C)C(=O)Nc1ccccc1)C,non-mutagenic
+CC(NC(=O)Nc1ccccc1)C,non-mutagenic
+CC(N(C(=S)NC(C)(C)C)C(=O)Nc1ccccc1)C,non-mutagenic
+OCc1nn(c(=O)n1C(F)F)c1cc(CCC(=O)O)c(cc1F)Cl,non-mutagenic
+CCS(=O)C(CC(CC(=O)O)CC(=O)O)C,non-mutagenic
+CCS(=O)(=O)C(CC(CC(=O)O)CC(=O)O)C,non-mutagenic
+Brc1nn(c(c1)C(=O)N)c1ncccc1Cl,non-mutagenic
+C[C@H](C(=O)O)Oc1ccc(cc1)Oc1ccc(cc1F)C(=O)O,non-mutagenic
+C=CCOC(c1ccc(cc1Cl)Cl)Cn1cncc1,non-mutagenic
+CC(C1(C)N=C(NC1=O)c1nc2ccccc2cc1C(=O)O)C,non-mutagenic
+[O-][N+](=O)/N=C/1\NCCN1Cc1ccc(nc1)Cl,non-mutagenic
+CC(C1CCC(C1(O)Cn1ncnc1)Cc1ccc(cc1)Cl)C,non-mutagenic
+CO/N=C(\c1ccccc1COc1ccccc1C)/C(=O)OC,non-mutagenic
+CO/N=C(\c1ccccc1COc1ccccc1CO)/C(=O)O,non-mutagenic
+CO/N=C(\c1ccccc1COc1ccc(cc1C)O)/C(=O)O,non-mutagenic
+CO/N=C(\c1ccccc1COc1cc(O)ccc1C)/C(=O)O,non-mutagenic
+CC(OC(=O)NC(C(=O)NC(c1ccc(cc1)C)C)C(C)C)C,non-mutagenic
+CCC(c1noc(c1)NC(=O)c1c(OC)cccc1OC)(CC)C,non-mutagenic
+Cc1ccc(cc1)C(N)C,non-mutagenic
+[O-][N+](=O)NC1=NCC(N1Cc1ccc(nc1)Cl)O,non-mutagenic
+[O-][N+](=O)NC1=NC(CN1Cc1ccc(nc1)Cl)O,non-mutagenic
+[O-][N+](=O)Nc1nccn1Cc1ccc(nc1)Cl,non-mutagenic
+O=N/N=C/1\NCCN1Cc1ccc(nc1)Cl,non-mutagenic
+CCc1noc(c1)NC(=O)c1c(OC)cccc1OC,non-mutagenic
+COc1cccc(c1C(=O)N)OC,non-mutagenic
+O=c1[nH]c2CCCc2c(=O)n1C1CCCCC1,non-mutagenic
+[O-]S(=O)(=O)[O-].[Fe+2],non-mutagenic
+CO/N=C(\c1ccccc1COc1ccccc1C)/C(=O)O,non-mutagenic
+CC(C1C2CCC1c1c2cccc1NC(=O)c1cn(nc1C(F)F)C)C,non-mutagenic
+Cn1nc(c(c1)C(=O)Nc1cccc2c1[C@@H]1CC[C@H]2[C@@H]1C(O)(C)C)C(F)F,non-mutagenic
+Cn1nc(c(c1)C(=O)Nc1cccc2c1[C@H]1CC[C@@H]2[C@H]1C(O)(C)C)C(F)F,non-mutagenic
+CCOC(=O)CC(C(=O)OCC)SP(=S)(OC)OC,non-mutagenic
+CC1OC(C)OC(OC(O1)C)C,non-mutagenic
+Fc1ccc(cc1)NC(=O)c1cccc(n1)Oc1cccc(c1)C(F)(F)F,non-mutagenic
+O=C(N(C)C)Nc1ccc(cc1)C(C)C,mutagenic
+OC(=O)c1nc(Cl)c(c(c1Cl)N)Cl,non-mutagenic
+CC(Oc1ccccn1)COc1ccc(cc1)Oc1ccccc1,non-mutagenic
+CCCN(C(=O)SCc1ccccc1)CCC,non-mutagenic
+COc1c(OC)cc(c(c1OC)C(=O)c1c(OC)ncc(c1C)Cl)C,non-mutagenic
+[CH2]OC1C(=C(O)C=C([C]1C(=O)c1c(OC)ncc(c1C)Cl)C)OC,non-mutagenic
+O=c1c(Cl)c(SCc2ccc(cc2)C(C)(C)C)cnn1C(C)(C)C,non-mutagenic
+OC(=O)C(c1ccc(cc1)CSc1cnn(c(=O)c1Cl)C(C)(C)C)(C)C,non-mutagenic
+CCCCCCC(c1cc(cc(c1OC(=O)C=CC)[N+](=O)[O-])[N+](=O)[O-])C,non-mutagenic
+C[N+]1(C)CCCCC1.[Cl-],non-mutagenic
+OC1CC[N+](CC1)(C)C.[Cl-],non-mutagenic
+CNC(=O)O/N=C(/C(=O)N(C)C)\SC,non-mutagenic
+CN(C(=O)C#N)C,non-mutagenic
+CCOC(=O)COc1cc(c(cc1Cl)F)c1nn(c(c1Cl)OC(F)F)C,non-mutagenic
+CNC(=O)ON=C(SC)C,non-mutagenic
+COc1c(OC)cc(c(c1OC)C(=O)c1c(OC)ccc(c1C)Br)C,non-mutagenic
+CCC(=C1C(=O)CC(CC1=O)C(=O)O)[O-].CCC(=C1C(=O)CC(CC1=O)C(=O)O)[O-].[Ca+2],non-mutagenic
+CCCn1c(OCCC)nc2c(c1=O)cc(cc2)I,non-mutagenic
+CCCn1c(OCCC)nc2c(c1=O)cccc2,non-mutagenic
+Cc1cc(C)nc(n1)Nc1ccccc1,non-mutagenic
+Cc1cc(C)nc(n1)N,non-mutagenic
+CC(Oc1cc(c(cc1Cl)Cl)n1nc(oc1=O)C(C)(C)C)C,mutagenic
+CNC(=O)Oc1cc(C)c(c(c1)C)SC,non-mutagenic
+C=CC=CCC1=C(C)C(CC1=O)OC(=O)C1C(C1(C)C)C=C(C)C.C=CC=CCC1=C(C)C(CC1=O)OC(=O)C1C(C1(C)C)C=C(C(=O)OC)C,non-mutagenic
+Cc1nnc(c(=O)n1N)c1ccccc1,non-mutagenic
+Cc1n[n+]([O-])c(c(=O)n1N)c1ccccc1,mutagenic
+COCC(=O)N(c1c(C)cccc1C)C(C(=O)OC)C,non-mutagenic
+C#CCOC(c1ccc(cc1)Cl)C(=O)NCCc1ccc(c(c1)OC)OCC#C,non-mutagenic
+C#CCOC(c1ccc(cc1)Cl)C(=O)NCCC(=O)O,non-mutagenic
+O=C(NC(=O)c1c(F)cccc1F)Nc1cc(Cl)c(cc1Cl)OC(C(C(F)(F)F)F)(F)F,non-mutagenic
+FC(C(Oc1cc(Cl)c(cc1Cl)N)(F)F)C(F)(F)F,non-mutagenic
+COc1cc(OC)n2c(n1)nc(n2)S(=O)(=O)Nc1c(Cl)ccc(c1Cl)C,non-mutagenic
+NC1=NN=C([N]1)S(=O)(=O)Nc1c(Cl)ccc(c1Cl)C,non-mutagenic
+COc1cc(O)n2c(n1)nc(n2)S(=O)(=O)Nc1c(Cl)ccc(c1Cl)C,non-mutagenic
+Oc1cc(O)n2c(n1)nc(n2)S(=O)(=O)Nc1c(Cl)ccc(c1Cl)C,non-mutagenic
+N#Cc1ccc(cc1)CC(=NNC(=O)Nc1ccc(cc1)OC(F)(F)F)c1cccc(c1)C(F)(F)F,non-mutagenic
+N#Cc1ccc(cc1)C1(O)N(C(=O)NN=C1c1cccc(c1)C(F)(F)F)c1ccc(cc1)OC(F)(F)C,non-mutagenic
+OC(=O)c1cccc(c1)C(F)(F)F,non-mutagenic
+N#Cc1ccc(cc1)CC(=O)c1cccc(c1)C(F)(F)F,non-mutagenic
+N#Cc1ccc(cc1)C(=O)O,non-mutagenic
+COc1cc(OC)n2c(n1)nc(n2)NS(=O)(=O)c1c(OC)nccc1C(F)(F)F,non-mutagenic
+COc1nc2nc(nn2c(c1Cl)O)NS(=O)(=O)c1c(OC)nccc1C(F)(F)F,non-mutagenic
+COc1nccc(c1S(=O)(=O)O)C(F)(F)F,non-mutagenic
+COc1nccc(c1S(=O)(=O)N)C(F)(F)F,non-mutagenic
+Clc1ccccc1CC(C1(Cl)CC1)(Cn1[nH]cnc1=S)O,non-mutagenic
+Clc1ccccc1CC(C1(Cl)CC1)(Cn1nccc1S(=O)(=O)O)O,non-mutagenic
+Clc1ccccc1CC(C1(Cl)CC1)(Cn1nc[nH]c1=O)O,non-mutagenic
+Clc1ccccc1C(C(C1(Cl)CC1)(Cn1cncn1)O)O,non-mutagenic
+CC(=O)OC(C(C1(Cl)CC1)(Cn1cncn1)O)c1ccccc1Cl,non-mutagenic
+OCC(C1(Cl)CC1)(Cc1ccccc1Cl)O,non-mutagenic
+COc1ncc(c2n1nc(n2)NS(=O)(=O)c1c(cccc1C(F)(F)F)OCC(F)F)OC,non-mutagenic
+COc1cnc(n2c1nc(n2)NS(=O)(=O)c1c(cccc1C(F)(F)F)OCC(F)F)O,non-mutagenic
+FC(COc1cccc(c1S(=O)(=O)Nc1nnc([nH]1)C(=O)O)C(F)(F)F)F,non-mutagenic
+FC(COc1cccc(c1S(=O)(=O)NC1=NN=C[N]1)C(F)(F)F)F,non-mutagenic
+CCCCCCCCSC(=O)Oc1cc(Cl)nnc1c1ccccc1,non-mutagenic
+Clc1nnc(c(c1)O)c1ccccc1,non-mutagenic
+COc1cc(Cl)nnc1c1ccccc1,non-mutagenic
+COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c1ccccc1CCC(F)(F)F,non-mutagenic
+NC(=N)NC(=O)NS(=O)(=O)c1ccccc1CCC(F)(F)F,non-mutagenic
+FC(CCc1ccccc1S(=O)(=O)N)(F)F,non-mutagenic
+ClC(=CCOc1cc(Cl)c(c(c1)Cl)OCCCOc1cccc(n1)C(F)(F)F)Cl,non-mutagenic
+O=c1[nH]cc(cc1O)C(F)(F)F,mutagenic
+CCCN(c1c(cc(cc1[N+](=O)[O-])S(=O)(=O)N)[N+](=O)[O-])CCC,non-mutagenic
+N#C[C@H](c1cccc(c1)Oc1ccccc1)OC(=O)[C@@H]1[C@@H](C1(C)C)/C=C(/C(F)(F)F)\Cl,non-mutagenic
+Cl/C(=C\[C@H]1[C@H](C1(C)C)C(=O)O)/C(F)(F)F,non-mutagenic
+Cl/C(=C\[C@@H]1[C@@H](C1(C)C)C(=O)O)/C(F)(F)F,non-mutagenic
+NC(=O)C(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)/C=C(/C(F)(F)F)\Cl,non-mutagenic
+N#CC(c1cccc(c1)Oc1ccccc1)O,non-mutagenic
+OCc1cccc(c1)Oc1ccccc1,non-mutagenic
+OC(=O)C(c1cccc(c1)Oc1ccccc1)O,non-mutagenic
+CC1=NNC(=O)N(C1)N=Cc1cccnc1,non-mutagenic
+CC1=NNC(=O)N(C1)N,non-mutagenic
+O=Cc1cccnc1,non-mutagenic
+O=C([C@H](Oc1ccc(cc1)Oc1cnc2c(n1)ccc(c2)Cl)C)OCCO/N=C(\C)/C,non-mutagenic
+CCCOC(=O)NCCC[NH+](C)C.[Cl-],non-mutagenic
+CSc1nnc(c(=O)n1N)C(C)(C)C,non-mutagenic
+O=c1[nH]c(=O)[nH]nc1C(C)(C)C,non-mutagenic
+NC(C(=O)O)Cc1ncn[nH]1,non-mutagenic
+CCCN(C(=O)n1cncc1)CCOc1c(Cl)cc(cc1Cl)Cl,non-mutagenic
+CCCN(C(=O)N)CCOc1c(Cl)cc(cc1Cl)Cl,non-mutagenic
+CCCN(C(=O)NC=O)CCOc1c(Cl)cc(cc1Cl)Cl,non-mutagenic
+CN(C(=O)Oc1nc(nc(c1C)C)N(C)C)C,non-mutagenic
+CNc1nc(C)c(c(n1)O)C,non-mutagenic
+CN(c1nc(C)c(c(n1)O)C)C,non-mutagenic
+CCN(c1nc(cc(n1)C)OP(=S)(OC)OC)CC,mutagenic
+O=C(c1ccc(cc1S(=O)(=O)C)C(F)(F)F)c1cnoc1C1CC1,non-mutagenic
+N#CC(C(=O)c1ccc(cc1S(=O)(=O)C)C(F)(F)F)C(=O)C1CC1,non-mutagenic
+OC(=O)c1ccc(cc1S(=O)(=O)C)C(F)(F)F,non-mutagenic
+CCc1cc(C)cc(c1c1c(OC(=O)C(C)(C)C)n2n(c1=O)CCOCC2)CC,non-mutagenic
+CCc1cc(C)cc(c1C1(O)C(=O)N2N(C1=O)CCOCC2)CC,non-mutagenic
+CCc1cc(cc(c1c1c(O)n2n(c1=O)CCOCC2)CC)C(=O)O,non-mutagenic
+CCc1cc(CO)cc(c1C1(O)C(=O)N2N(C1=O)CCOCC2)CC,non-mutagenic
+Clc1ccc(cc1)CN(C(=O)Nc1ccccc1)C1CCCC1,non-mutagenic
+Clc1ccc(cc1)CNC1CCCC1,non-mutagenic
+Clc1ccc2c(c1)oc1-c(n2)cc(c(=O)c1)N,mutagenic
+CC(CC(c1ccccc1NC(=O)c1c(C)nn(c1F)C)C)C,non-mutagenic
+CC(c1ccccc1NC(=O)c1c(C)nn(c1F)C)CC(O)(C)C,non-mutagenic
+O=C(c1c(C)nn(c1F)C)Nc1ccccc1C(=O)C,non-mutagenic
+CCOc1cc(ccc1[N+](=O)[O-])Oc1ccc(cc1Cl)C(F)(F)F,mutagenic
+OC(C(C)(C)C)C(n1ncnc1)Cc1ccc(cc1)Cl,non-mutagenic
+OC(C(=O)O)Cn1cncn1,non-mutagenic
+COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)Nc1ccccc1C(=O)N(C)C,non-mutagenic
+O=C(c1ccccc1NS(=O)(=O)O)N(C)C,non-mutagenic
+COc1nc(NC(=O)N)nc(c1)OC,non-mutagenic
+COc1nc(NC(=O)NOS(=O)Nc2ccccc2C(=O)N(C)C)nc(c1)O,non-mutagenic
+[O-]P([O-])[O-].[K+].[K+].[K+],non-mutagenic
+[O-][P+](=O)OCC.[O-][P+](=O)OCC.[O-][P+](=O)OCC.[Al+3],non-mutagenic
+OP(O)O,non-mutagenic
+CCCCC(c1ccc(cc1)Cl)(Cn1cncn1)C#N,non-mutagenic
+N#CC(c1ccc(cc1)Cl)(Cn1cncn1)CC(=O)O,non-mutagenic
+ClCC(=O)N(c1c(C)cccc1C)Cn1cccn1,non-mutagenic
+NC(=O)C(=O)N(c1c(C)cccc1C)Cn1cccn1,non-mutagenic
+O=C(N(c1c(C)cccc1C)Cn1cccn1)CS(=O)(=O)O,non-mutagenic
+[Na]OS(=O)(=O)CC(=O)N(c1c(C)cccc1C)Cn1cccn1,non-mutagenic
+O=S(CC(=O)N(c1c(C)cccc1C)Cn1cccn1)CC(=O)O,non-mutagenic
+CS(=O)CC(=O)N(c1c(C)cccc1C)Cn1cccn1,non-mutagenic
+OC(=O)C(=O)N(c1c(C)cccc1C(=O)O)Cn1cccn1,non-mutagenic
+O=S(CC(C(=O)O)O)CC(=O)N(c1c(C)cccc1C)Cn1cccn1,non-mutagenic
+CCCC(c1ccc(cc1Cl)Cl)Cn1cncn1,non-mutagenic
+OC1(Cn2ncnc2)C(CCC1(C)C)Cc1ccc(cc1)Cl,non-mutagenic
+O=C1CCCC(=O)C1C(=O)c1ccc(cc1[N+](=O)[O-])S(=O)(=O)C,mutagenic
+O=N(=O)c1cc(ccc1C(=O)O)S(=O)(=O)C,non-mutagenic
+OC(=O)c1ccc(cc1N)S(=O)(=O)C,non-mutagenic
+[S-]C(=S)NC.[Na+],mutagenic
+CCN(C(=O)C(Oc1cccc2c1cccc2)C)CC,non-mutagenic
+OC(=O)C(Oc1cccc2c1cccc2)C,non-mutagenic
+CC1=CC[C@@H](CC1)C(=C)C,non-mutagenic
+CNC(=O)Nc1ccc(cc1)C(C)C,non-mutagenic
+COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c1ccccc1C(=O)OC,non-mutagenic
+COC(=O)c1ccccc1S(=O)(=O)NC(=O)N,non-mutagenic
+COC(=O)c1ccccc1S(=O)(=O)N,non-mutagenic
+COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)c1ncccc1C(=O)N(C)C,non-mutagenic
+CN(C(=O)c1cccnc1S(=O)(=O)N)C,non-mutagenic
+NC(=N)NC(=O)NS(=O)(=O)c1ncccc1C(=O)N(C)C,non-mutagenic
+O=C(NS(=O)(=O)c1ncccc1C(=O)N(C)C)NC(=O)N,non-mutagenic
+CNC(=O)c1cccnc1S(=O)(=O)N,non-mutagenic
+COc1nc(nc(c1)O)NC(=O)NS(=O)(=O)c1ncccc1C(=O)N(C)C,non-mutagenic
+COCC(=O)N(c1c(C)cccc1C(=O)O)C(C(=O)O)C,non-mutagenic
+COCC(=O)N(c1c(C)cccc1C)C(C(=O)O)C,non-mutagenic
+COCC(=O)Nc1c(C)cccc1C,non-mutagenic
+CCNc1nc(Cl)nc(n1)NC(C)(C)C,non-mutagenic
+Nc1nc(nc(n1)O)NC(C)(C)C,non-mutagenic
+CCNc1nc(O)nc(n1)NC(C)(C)C,non-mutagenic
+Nc1nc(nc(n1)Cl)NC(C)(C)C,non-mutagenic
+Oc1nc2NC(C(n2c(=O)n1)O)(C)C,non-mutagenic
+CC(Nc1nc(O)nc(n1)O)(C)C,non-mutagenic
+Cn1c(O)nc(nc1=O)NC(C)(C)C,non-mutagenic
+CCOC(=O)CC(C(=O)O)SP(=S)(OC)OC,non-mutagenic
+COP(=S)(SC(C(=O)O)CC(=O)O)OC,non-mutagenic
+CCOC(=O)CC(C(=O)OCC)SP(=S)(OC)O,non-mutagenic
+CNC(=O)Nc1ccc(cc1)Br,non-mutagenic
+NC(=O)Nc1ccc(cc1)Br,non-mutagenic
+CONC(=O)Nc1ccc(cc1)Br,non-mutagenic
+COc1cc(O)nc(n1)NC(=O)N,non-mutagenic
+OCC(c1ccc(cc1)NC(=O)N(C)C)C,non-mutagenic
+O=C(N(C)C)Nc1ccc(cc1)C(O)(C)C,non-mutagenic
+CC(c1ccc(cc1)NC(=O)N)C,non-mutagenic
+CC(c1ccc(cc1)NC(=O)N(C)C)C(=O)O,non-mutagenic
+ClCCP(=O)(O)O,non-mutagenic
+OCCP(=O)(O)O,non-mutagenic
+OC(=O)/C=C(\C=C\[C@@]1(O)C(=CC(=O)CC1(C)C)C)/C,non-mutagenic
+[O-]Cl.[Na+],mutagenic
+FS(=O)(=O)F,non-mutagenic
+O=C1CCCC(=O)C1C(=O)c1ccc(cc1Cl)S(=O)(=O)C,mutagenic
+OC(=O)c1ccc(cc1Cl)S(=O)(=O)C,non-mutagenic
+COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)c1n2ccccc2nc1S(=O)(=O)CC,non-mutagenic
+CCS(=O)(=O)c1nc2n(c1S(=O)(=O)NC(=O)NC(=N)N)cccc2,non-mutagenic
+CCS(=O)(=O)c1nc2n(c1S(=O)(=O)NC(=O)NC(=O)N)cccc2,non-mutagenic
+Clc1ccc(cc1)CCC(C(C)(C)C)(Cn1cncn1)O,non-mutagenic
+CCc1nn(c(c1Cl)C(=O)NCc1ccc(cc1)C(C)(C)C)C,non-mutagenic
+CCc1nn(c(c1Cl)C(=O)Nc1ccc(cc1)C(C(=O)O)(C)C)C,non-mutagenic
+CCc1nn(c(c1Cl)C(=O)N)C,non-mutagenic
+COP(=S)(Oc1c(Cl)cc(cc1Cl)C)OC,non-mutagenic
+Cc1c(ccc(c1C1=NOCC1)S(=O)(=O)C)C(=O)c1c[nH]n(c1=O)C,mutagenic
+OC(=O)c1ccc(c(c1C)C1=NOCC1)S(=O)(=O)C,non-mutagenic
+Clc1ccc2c(c1)[n+]([O-])nc(n2)n1cncc1,non-mutagenic
+COc1nc(C)nc(n1)N(C(=O)NS(=O)(=O)c1ccccc1C(=O)OC)C,non-mutagenic
+COP(=O)(C(C(Cl)(Cl)Cl)O)OC,non-mutagenic
+OC(=O)COc1nc(Cl)c(cc1Cl)Cl,non-mutagenic
+CCCCOCCOC(=O)COc1nc(Cl)c(cc1Cl)Cl,non-mutagenic
+CCCOCC(=Nc1ccc(cc1C(F)(F)F)Cl)n1cncc1,non-mutagenic
+CCOC(=O)C1CC(=O)C(=C(C2CC2)O)C(=O)C1,non-mutagenic
+OC(=O)C(CC(=O)O)CC(=O)O,non-mutagenic
+O=C(/C=C(/C1CC1)\O)CC(C(=O)O)CC(=O)O,non-mutagenic
+O=C(c1c(O)cc(cc1O)C(=O)O)C1CC1,non-mutagenic
+OC1(Cn2ncnc2)C(=Cc2ccc(cc2)Cl)CCC1(C)C,non-mutagenic
+O[C@@H](C1/C(=C/c2ccc(cc2)Cl)/[C@@H](CC1(C)C)O)Cn1cncn1,non-mutagenic
+OC1(Cn2ncnc2)/C(=C/c2ccc(cc2)Cl)/CCC1(C)C,non-mutagenic
+COC(=O)CC(c1ccc(cc1)Cl)NC(=O)[C@H](C(C)C)NC(=O)OC(C)C,non-mutagenic
+OC(=O)CC(c1ccc(cc1)Cl)NC(=O)[C@H](C(C)C)NC(=O)OC(C)C,non-mutagenic
+COCCOc1cccc2c1c(=O)c(nn2c1ccc(cc1)Cl)C(=O)O,non-mutagenic
+OCCOc1cccc2c1c(=O)c(nn2c1ccc(cc1)Cl)C(=O)O,non-mutagenic
+ClCCOc1ccccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(n1)OC,non-mutagenic
+COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)O,non-mutagenic
+CCONC(=C1C(=O)CC(CC1=O)c1c(C)cc(cc1C)C)CC,non-mutagenic
+COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)c1ncccc1S(=O)(=O)CC,non-mutagenic
+CCS(=O)(=O)c1cccnc1S(=O)(=O)N,non-mutagenic
+COc1cc(OC)nc(n1)N(c1ncccc1S(=O)(=O)CC)C(=O)N,non-mutagenic
+CCO[C@H]1[C@@H](OC)[C@H](OC2C[C@@H]3[C@@H](C2)[C@@H]2C=C4C([C@@H]2CC3)CC(=O)O[C@@H](CC)CCC[C@@H]([C@H](C4=O)C)O[C@H]2CC[C@@H]([C@H](O2)C)N(C)C)O[C@H]([C@@H]1OC)C,non-mutagenic
+CCO[C@H]1[C@@H](OC)[C@H](O[C@@H]2C[C@@H]3[C@@H](C2)[C@@H]2C=C4[C@H]([C@@H]2CC3)CC(=O)O[C@@H](CC)CCC[C@@H]([C@H](C4=O)C)OC2CC[C@@H]([C@H](O2)C)NC)O[C@H]([C@@H]1OC)C,non-mutagenic
+O=CN[C@H]1CC[C@@H](O[C@@H]1C)OC1CCC[C@H](CC)OC(=O)C[C@@H]2C(=C[C@@H]3[C@H]2CC[C@H]2[C@H]3C[C@@H](C2)OC2O[C@@H](C)[C@@H]([C@H]([C@H]2OC)OCC)OC)C(=O)[C@@H]1C,non-mutagenic
+O=CN[C@H]1CC[C@@H](O[C@@H]1C)OC1CCC[C@H](CC)OC(=O)C[C@@H]2C(=C[C@@H]3[C@H]2C=C([C@H]2[C@H]3C[C@@H](C2)OC2O[C@@H](C)[C@@H]([C@H]([C@H]2OC)OCC)OC)C)C(=O)[C@@H]1C,non-mutagenic
+NC1=C(Cl)C(=O)c2c(C1=O)cccc2,non-mutagenic
+ClC(=C(Cl)Cl)CS(=O)(=O)O,non-mutagenic
+COC(=O)c1csc(c1S(=O)(=O)NC(=O)n1nc(n(c1=O)C)OC)C,non-mutagenic
+COc1nn(c(=O)n1C)C(=O)NS(=O)(=O)c1c(C)scc1C(=O)O,non-mutagenic
+COC(=O)c1csc(c1S(=O)(=O)N)C,non-mutagenic
+COC(=O)c1csc(c1S(=O)(=O)NC(=O)n1nc([nH]c1=O)OC)C,non-mutagenic
+O=C(NC(=O)c1ccccc1Cl)Nc1ccc(cc1)OC(F)(F)F,non-mutagenic
+FC(Oc1ccc(cc1)N)(F)F,non-mutagenic
+O=C1OC(C(=O)N1Nc1ccccc1)(C)c1ccc(cc1)Oc1ccccc1,non-mutagenic
+CCOC(=O)[C@H](Oc1ccc(cc1)Oc1cnc2c(n1)ccc(c2)Cl)C,non-mutagenic
+Clc1ccc2c(c1)ncc(n2)Oc1ccc(cc1)OC(C(=O)OCC1CCCO1)C,non-mutagenic
+O=CNc1ccc(c(c1)S(=O)(=O)NC(=O)Nc1nc(OC)cc(n1)OC)C(=O)N(C)C,non-mutagenic
+N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)[C@@H](C(C)C)Nc1ccc(cc1Cl)C(F)(F)F,non-mutagenic
+Nc1ccc(cc1Cl)C(F)(F)F,non-mutagenic
+CC(C(C(=O)O)Nc1ccc(cc1Cl)C(F)(F)F)C,non-mutagenic
+N#CC(C(C(C)C)Nc1ccc(cc1Cl)C(F)(F)F)c1cccc(c1)Oc1ccccc1,non-mutagenic
+COc1ccc(cc1[O-])[N+](=O)[O-].[Na+],non-mutagenic
+[O-][N+](=O)c1ccccc1[O-].[Na+],non-mutagenic
+[O-]c1ccc(cc1)[N+](=O)[O-].[Na+],non-mutagenic
+CCC(C(=O)OC1=C(C(=O)OC21CCCCC2)c1cc(Cl)cc(c1)Cl)(C)C,non-mutagenic
+OC[C@H]1O[C@@H](OCc2ccc(cc2)NS(=O)(=O)N(C)C)C[C@@H]([C@@H]([C@@H]1O)O)O,non-mutagenic
+Cc1ccc(cc1)N(S(=O)(=O)N(C)C)SC(Cl)(Cl)F,non-mutagenic
+OCc1ccc(cc1)NS(=O)(=O)N(C)C,non-mutagenic
+OCC1OC(Oc2cc(C)ccc2NS(=O)(=O)N(C)C)C(C(C1O)O)O,non-mutagenic
+Cc1ccc(c(c1)O)NS(=O)(=O)N(C)C,non-mutagenic
+O=C(CC(C)(C)C)OC1=C(C(=O)OC21CCCC2)c1c(C)cc(cc1C)C,non-mutagenic
+CCCN(CC1COC2(O1)CCC(CC2)C(C)(C)C)CC,non-mutagenic
+CCC[N+](CC1COC2(O1)CCC(CC2)C(C)(C)C)(CC)[O-],non-mutagenic
+O=C(C1(C)CCCCC1)Nc1ccc(c(c1Cl)Cl)O,non-mutagenic
+CCOC(=O)OC1=C(C(=O)NC21CCC(CC2)OC)c1cc(C)ccc1C,non-mutagenic
+COC1CCC2(CC1)NC(=O)C(C2=O)(O)c1cc(C)ccc1C,non-mutagenic
+OC1CCC2(CC1)NC(=O)C(C2=O)(O)c1cc(C)ccc1C,non-mutagenic
+OC1CCC2(CC1)NC(=O)C(C2O)(O)c1cc(C)ccc1C,non-mutagenic
+COC1CCC2(CC1)NC(=O)C(C2O)c1cc(C)ccc1C,non-mutagenic
+Clc1cc(cnc1Nc1c(cc(c(c1[N+](=O)[O-])Cl)C(F)(F)F)[N+](=O)[O-])C(F)(F)F,non-mutagenic
+Clc1cc(cnc1Nc1c(cc(c(c1[N+](=O)[O-])O)C(F)(F)F)[N+](=O)[O-])C(F)(F)F,mutagenic
+Clc1cc(cnc1Nc1c(cc(c(c1N)Cl)C(F)(F)F)[N+](=O)[O-])C(F)(F)F,non-mutagenic
+CSC1=NC(C(=O)N1Nc1ccccc1)(C)c1ccccc1,non-mutagenic
+O=C1NC(=O)N[C@@]1(C)c1ccccc1,non-mutagenic
+O=C1N[C@@](C(=O)N1Nc1ccccc1)(C)c1ccccc1,non-mutagenic
+CSC1=N[C@@](C(=O)N1)(C)c1ccccc1,non-mutagenic
+CCOC(=O)NCCOc1ccc(cc1)Oc1ccccc1,non-mutagenic
+CCOP(=O)(Oc1ccc(c(c1)C)SC)NC(C)C,non-mutagenic
+CC(c1ccccc1)(C[Sn](O[Sn](CC(c1ccccc1)(C)C)(CC(c1ccccc1)(C)C)CC(c1ccccc1)(C)C)(CC(c1ccccc1)(C)C)CC(c1ccccc1)(C)C)C,non-mutagenic
+CC(Cc1ccc(cc1)C(C)(C)C)CN1C[C@H](C)O[C@@H](C1)C,non-mutagenic
+O=C(c1cccc(c1C(=O)NC(CS(=O)(=O)C)(C)C)I)Nc1ccc(cc1C)C(C(F)(F)F)(C(F)(F)F)F,non-mutagenic
+O=C(c1ccccc1C(=O)Nc1ccc(cc1C)C(C(F)(F)F)(C(F)(F)F)F)NC(CS(=O)(=O)C)(C)C,non-mutagenic
+O=C(c1cccc(c1C(=O)NC(CS(=O)(=O)C)(C)C)O)Nc1ccc(cc1C)C(C(F)(F)F)(C(F)(F)F)F,non-mutagenic
+N#CCNC(=O)c1cnccc1C(F)(F)F,non-mutagenic
+OC(=O)c1cnccc1C(F)(F)F,non-mutagenic
+NC(=O)c1cnccc1C(F)(F)F,non-mutagenic
+O=C(c1cnccc1C(F)(F)F)NCC(=O)O,non-mutagenic
+O=C(c1cnccc1C(F)(F)F)NCC(=O)N,non-mutagenic
+Oc1ncc(c(c1)C(F)(F)F)C(=O)O,non-mutagenic
+CO/N=C(\c1ccccc1Oc1ncnc(c1F)Oc1ccccc1Cl)/C1=NOCCO1,non-mutagenic
+CO/N=C(\c1ccccc1Oc1ncnc(c1F)O)/C1=NOCCO1,non-mutagenic
+CC(Cc1ccc(cc1)C(C)(C)C)CN1CCCCC1,non-mutagenic
+CC(C[N+]1([O-])CCCCC1)Cc1ccc(cc1)C(C)(C)C,non-mutagenic
+Clc1ccc(c(c1)Cl)n1c(nc2c(c1=O)cc(cc2)F)n1cncn1,non-mutagenic
+Clc1ccc(c(c1)Cl)n1c(=O)[nH]c2c(c1=O)cc(cc2)F,non-mutagenic
+C#CCN1C(=O)COc2c1cc(c(c2)F)N1C(=O)C2=C(C1=O)CCCC2,non-mutagenic
+Cc1cnc2c(c1)ccc(c2C(=O)O)Cl,non-mutagenic
+OC(=O)c1c(Cl)ccc2c1nc(O)c(c2)C,non-mutagenic
+OC(=O)c1cnc2c(c1)ccc(c2C(=O)O)Cl,mutagenic
+N#CN=S(=O)(C(c1ccc(nc1)C(F)(F)F)C)C,non-mutagenic
+NC(=O)N=S(=O)(C(c1ccc(nc1)C(F)(F)F)C)C,non-mutagenic
+CC(c1ccc(nc1)C(F)(F)F)O,non-mutagenic
+CCc1ccc(nc1)C(F)(F)F,non-mutagenic
+CC(S(=O)(=N)C)c1ccc(nc1)C(F)(F)F,non-mutagenic
+CC(S(=O)(=O)C)c1ccc(nc1)C(F)(F)F,non-mutagenic
+ClCC1CN(C(=O)C1Cl)c1cccc(c1)C(F)(F)F,non-mutagenic
+CNC(=O)Oc1cccc(c1)N=CN(C)C.Cl,non-mutagenic
+c1coc(c1)c1nc2c([nH]1)cccc2,non-mutagenic
+CCOC(=O)[C@H](Oc1ccc(cc1)Oc1nc2c(o1)cc(cc2)Cl)C,non-mutagenic
+CCOC(=O)C(Oc1ccc(cc1)Oc1nc2c(o1)cc(cc2)Cl)C,non-mutagenic
+CCCCCCC(OC(=O)COc1nc(F)c(c(c1Cl)N)Cl)C,non-mutagenic
+[O-]P(=O)([O-])[O-].[Fe+3],non-mutagenic
+Cn1nc(c(c1)C(=O)Nc1ccccc1C1CC1C1CC1)C(F)F,non-mutagenic
+CC(Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F)C,non-mutagenic
+Clc1cc(cnc1CCNC(=O)c1ccccc1C(F)(F)F)C(F)(F)F,non-mutagenic
+C[C@@H]1N(C(=O)NC2CCCCC2)C(=O)S[C@H]1c1ccc(cc1)Cl,non-mutagenic
+C[C@@H]1N(C(=O)N)C(=O)S[C@H]1c1ccc(cc1)Cl,non-mutagenic
+O=C1CCCC(C1)NC(=O)N1C(=O)SC(C1C)c1ccc(cc1)Cl,non-mutagenic
+O[C@H]1CCCC[C@@H]1NC(=O)N1C(=O)S[C@H]([C@@H]1C)c1ccc(cc1)Cl,non-mutagenic
+O[C@@H]1CC[C@H](CC1)NC(=O)N1C(=O)S[C@@H]([C@H]1C)c1ccc(cc1)Cl,non-mutagenic
+OC1CCCC(C1)NC(=O)N1C(=O)SC(C1C)c1ccc(cc1)Cl,non-mutagenic
+C[C@@H]1NC(=O)S[C@H]1c1ccc(cc1)Cl,non-mutagenic
+O[C@@H]1CC[C@@H](CC1)NC(=O)N1C(=O)S[C@H]([C@@H]1C)c1ccc(cc1)Cl,non-mutagenic
+O=C1CCC(CC1)NC(=O)N1C(=O)S[C@@H]([C@H]1C)c1ccc(cc1)Cl,non-mutagenic
+N#CC(c1ccccc1)(Cn1cncn1)CCc1ccc(cc1)Cl,non-mutagenic
+Clc1ccc(cc1)[C@H]1OC(=O)[C@@](C1)(Cn1cncn1)c1ccccc1,non-mutagenic
+Clc1ccc(cc1)[C@@H]1OC(=O)[C@@](C1)(Cn1cncn1)c1ccccc1,non-mutagenic
+COc1nc(nc(c1)OC)[N-]C(=O)NS(=O)(=O)c1nc(ccc1C(=O)OC)C(F)(F)F.[Na+],non-mutagenic
+COc1cc(OC)nc(n1)n1c(=O)[nH]c(=O)c2c1nc(cc2)C(F)(F)F,non-mutagenic
+COc1cc(O)nc(n1)n1c(=O)[nH]c(=O)c2c1nc(cc2)C(F)(F)F,non-mutagenic
+OC(=O)c1ccc(nc1S(=O)(=O)N)C(F)(F)F,non-mutagenic
+COC(=O)c1ccc(nc1S(=O)(=O)N)C(F)(F)F,non-mutagenic
+CCc1ccc(cc1)C(=O)NN(C(C)(C)C)C(=O)c1cc(C)cc(c1)C,non-mutagenic
+Cc1cc(C)cc(c1)C(=O)N(C(C)(C)C)NC(=O)c1ccc(cc1)C(=O)C,non-mutagenic
+O=C(c1ccc(cc1)C(=O)O)NN(C(C)(C)C)C(=O)c1cc(C)cc(c1)C,non-mutagenic
+CCc1ccc(cc1)C(=O)NN(C(C)(C)C)C(=O)c1cc(C)cc(c1)CO,non-mutagenic
+O=C(c1ccc(cc1)C(=O)C)NN(C(C)(C)C)C(=O)c1cc(cc(c1)C(=O)O)C(=O)O,non-mutagenic
+OC(=O)Cc1ccc(cc1)C(=O)NN(C(C)(C)C)C(=O)c1cc(C)cc(c1)C,non-mutagenic
+Cc1cc(C)cc(c1)C(=O)N(C(C)(C)C)NC(=O)c1ccc(cc1)C(O)C,non-mutagenic
+CCc1ccc(cc1)C(=O)NN(C(C)(C)C)C(=O)c1cc(C)cc(c1)C=O,non-mutagenic
+O=C(C1C(C1(C)C)/C=C(/C(F)(F)F)\Cl)OCc1c(F)c(F)c(c(c1F)F)C,non-mutagenic
+N#Cc1nn(c(c1S(=O)C(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F,non-mutagenic
+N#Cc1nn(c(c1SC(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F,non-mutagenic
+N#Cc1nn(c(c1S(=O)(=O)C(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F,non-mutagenic
+N#Cc1nn(c(c1C(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F,non-mutagenic
+N#Cc1nn(c(c1S(=O)(=O)O)N)c1c(Cl)cc(cc1Cl)C(F)(F)F,non-mutagenic
+OC(=O)c1nn(c(c1S(=O)C(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F,non-mutagenic
+NC(=O)c1nn(c(c1S(=O)C(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F,non-mutagenic
+Cc1cc(=O)[nH]o1,non-mutagenic
+OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(cc1)Cl,non-mutagenic
+Fc1ccc(cc1)C(c1ccccc1F)(Cn1cncn1)O,non-mutagenic
+C=CCSC(=O)n1c(N)c(c(=O)n1C(C)C)c1ccccc1C,non-mutagenic
+Cc1ccccc1c1c(N)[nH]n(c1=O)C(C)C,non-mutagenic
+OC(=O)[C@H](Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F)C,non-mutagenic
+COC(=O)C(Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F)C,non-mutagenic
+O=c1[nH]cc(cc1Cl)C(F)(F)F,non-mutagenic
+Cn1cc(cc(c1=O)Cl)C(F)(F)F,non-mutagenic
+COC(=O)c1cccc(c1S(=O)(=O)NC(=O)Nc1nc(OCC(F)(F)F)nc(n1)N(C)C)C,non-mutagenic
+Nc1nc(OCC(F)(F)F)nc(n1)N(C)C,non-mutagenic
+CNc1nc(OCC(F)(F)F)nc(n1)N,non-mutagenic
+FC(COc1nc(N)nc(n1)N)(F)F,non-mutagenic
+O=C1NS(=O)(=O)c2c1cccc2C,non-mutagenic
+NCP(=O)(O)O,non-mutagenic
+CNC1=C(c2cccc(c2)C(F)(F)F)C(=O)C(O1)c1ccccc1,non-mutagenic
+OC(=O)C(F)(F)F,non-mutagenic
+CSC(=NOC(=O)N(SN(C(=O)ON=C(SC)C)C)C)C,non-mutagenic
+OC(=O)[C@@H]1N2C(=O)C[C@H]2S(=O)(=O)[C@@]1(C)Cn1ccnn1,non-mutagenic
+Oc1cc2O[C@@H](Cc2c2c1c(=O)c1c(n2C)cccc1)[C@@]1(C)CO1,mutagenic
+C[C@H]1CCC[C@@]2([C@]1(O)CCCC2)C,non-mutagenic
+COC1=CC(=O)c2c(C1=O)ncc1c2[nH]c2c1cncc2,mutagenic
+N1[C@@H]2[C@H]1c1cscc1-c1c2csc1,mutagenic
+CCCC[C@H](COC(=O)COc1ccc(cc1Cl)Cl)CC,non-mutagenic
+CCN(CC#CC(OC(=O)[C@@](c1ccccc1)(C1CCCCC1)O)(C)C)CC.Cl.O,non-mutagenic
+F[C@H](C(C(Cl)(F)F)(F)F)Cl,non-mutagenic
+Nc1cc(N)c(cc1/N=N/c1ccccc1)C,mutagenic
+Nc1ccc2c(c1)nc1c(c2)ccc(c1)N.Cl,mutagenic
+C[C@@H]([C@@H](Cc1ccc(c(c1)O)O)C)Cc1ccc(c(c1)O)O,non-mutagenic
+OC(=O)C1=CC2=CC[C@@H]3[C@@H]([C@]2(CC1)C)CC[C@]1([C@H]3CC[C@H]1C(=O)NC(C)(C)C)C,non-mutagenic
+OC(=O)COc1ccc(cc1Cl)Cl.OCCNCCO,non-mutagenic
+C[C@H]1CCCC(=O)CCC/C=C/c2c(C(=O)O1)c(O)cc(c2)O,non-mutagenic
+OC(=O)CC[C@@H](C(=O)O)N.[K+].O,non-mutagenic
+Cc1nccc2c1[nH]c1c2cccc1.Cl,mutagenic
+O=NN1CCO[C@H](C1)O,mutagenic
+O1CCO[C@@H]2CCCC[C@H]2OCCOCCO[C@H]2[C@H](OCC1)CCCC2,non-mutagenic
+COc1cc(ccc1/N=N/c1c(O)c2ccc(cc2cc1S(=O)(=O)O)N)c1ccc(c(c1)OC)/N=N/c1cc(c2c(c1O)cccc2)S(=O)(=O)O,mutagenic
+CC([C@H]1c2cc(C(=O)C)c(cc2C([C@@H]1C)(C)C)C)C,non-mutagenic
+CO[C@H]1[C@@H](N)C[C@@H](O[C@H]1C)O[C@H]1C[C@@](O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)c(OC)ccc2)C(=O)CO,mutagenic
+CN1CCN(CC1)C1=CC(=O)c2c(C1=O)c1[nH]c3c(c1c(n2)C)cccc3,mutagenic
+O=C1c2ccccc2C(=O)c2c1ccc(c2O)C,mutagenic
+C[C@H]1OC(=O)c2c(C1)ccc(c2O)C(=O)N[C@H](C(=O)O)Cc1ccccc1,non-mutagenic
+CCCC[C@H]1CO1,non-mutagenic
+O=C1[C@@H]2O[C@@H]2[C@@H]2c3c1c1=C(O)C=C[C@H]4c1c(c3=C(C=C2)O)C(=O)[C@H]1[C@@H]4O1,mutagenic
+COc1ccc(cc1N)N,mutagenic
+OC[C@@H]([C@H]1OC(=O)C(=C1O)O)O.[Na+],non-mutagenic
+[O-][N+](=C1CCCC1)[O-],mutagenic
+CCN1CCN(C(=O)C1=O)C(=O)N[C@@H](C(=O)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)c1ccccc1.[Na+],non-mutagenic
+O[C@H]1[C@H](O)[C@@H]2O[C@@H]2c2c1ccc1c2nc2c(c1)ccc1c2cccc1,mutagenic
+O[C@@H](COc1cccc2c1C[C@H](O)[C@@H](C2)O)CNC(C)(C)C,non-mutagenic
+OC(=O)[C@H](CC(=O)c1cccc(c1N)O)N,non-mutagenic
+NCC[C@H](N)C,non-mutagenic
+Nc1nc(C)c2c(c1)[nH]c1c2cccc1,mutagenic
+OC(=O)[C@H]1N[C@@H](C)c2c(C1)c1ccccc1[nH]2,non-mutagenic
+C/C=C/C=O,mutagenic
+Nc1ccc2c(c1)cc1c([n+]2C)cccc1.Cl,mutagenic
+CCCCNCCCNCCCNC(=O)c1csc(n1)c1csc(n1)CCNC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H]([C@@H]([C@H](NC(=O)[C@H]([C@H](c1nc[nH]c1)O[C@@H]1O[C@@H](CO)[C@@H]([C@@H]([C@@H]1O[C@H]1O[C@H](CO)[C@H]([C@@H]([C@@H]1O)OC(=O)N)O)O)O)NC(=O)c1nc(nc(c1C)N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)C)O)C,mutagenic
+CCOc1ccc(cc1)/N=[N+](/c1ccc(cc1)OCC)\[O-],non-mutagenic
+O=CC1=C[C@]2(O)CC(C[C@@H]2[C@H](C=C1C=O)C)(C)C,mutagenic
+c1ccc2c(c1)c1ccc3c4c1c(c2)ccc4ccc3,mutagenic
+Nc1ccc(c(c1)C)N,mutagenic
+COc1ccc(c(c1)/N=N/c1c(O)ccc2c1cccc2)OC,mutagenic
+CN(c1ccc(cc1)/N=N/c1cccc2c1cccc2)C,mutagenic
+O=c1[nH]c(=O)n(cc1F)[C@H]1CCCO1,non-mutagenic
+O=C(N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)COc1ccccc1.[K+],non-mutagenic
+OC[C@H]1O[C@H]([C@@H]([C@@H]1O[P@@](=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1ccc(nc1=O)N)O)O)n1cnc2c1ncnc2N,non-mutagenic
+c1ccc2-c3ccc4c(c3[C@@H]3[C@H](c2c1)O3)cccc4,mutagenic
+Br[C@H]([C@H](Br)C)CO[P@](=O)(OC[C@@H]([C@H](Br)C)Br)OC[C@@H]([C@H](Br)C)Br,mutagenic
+OC[C@H]1O[C@H](C(=O)[C@@H]1O)n1cnc2=C(NCN=c12)N,non-mutagenic
+OC(=O)C[C@H](C(=O)O)O,non-mutagenic
+C=CCc1ccccc1OC[C@@H](CNC(C)C)O,non-mutagenic
+O=C(Cc1cnc(nc1N)C)N/C(=C(/SC(=O)c1ccccc1)\CCOC(=O)c1ccccc1)/C.Cl,non-mutagenic
+OC(=O)/C=C\C(=O)O.[Na+].[Na+],non-mutagenic
+COC(=O)/C(=C\c1ccc(o1)[N+](=O)[O-])/[N+](=O)[O-],mutagenic
+CN(c1ccc(cc1)/N=N/c1ccc(cc1)N(C)C)C,non-mutagenic
+ON1c2ccccc2C(=O)[C@@]1(C)c1ccccc1,non-mutagenic
+c1ccc(cc1)CN1[C@@H]2[C@H]1c1ccccc1-c1c2cccc1,mutagenic
+O[C@H]1[C@H](O)c2ccc(c3c2c2c1cccc2c1c3cccc1)[N+](=O)[O-],mutagenic
+Cl[C@@H](c1ccccc1)C(=O)NCc1ccccc1,mutagenic
+O(C[C@@H]1OC1)CCOC[C@@H]1OC1,mutagenic
+OC(=O)c1ccc(cc1)/C=N/n1nnc2c(c1=O)[nH]c1c2cccc1,mutagenic
+N#CC(/N=N/C(C#N)(C)C)(C)C,non-mutagenic
+CCC(=O)O.[Na+],non-mutagenic
+CN(c1c(C)n(n(c1=O)c1ccccc1)C)CS(=O)(=O)O.[Na+].O,mutagenic
+Br[C@H]1[C@H](Cl)[C@H](Br)[C@@H]([C@H]([C@H]1Br)Br)Br,non-mutagenic
+Cl[C@H]1O[C@H]1CBr,mutagenic
+CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](CN([C@@H]([C@@H]([C@]1(C)O)O)C)C)C)(C)O,non-mutagenic
+CNP1(=NP(=NP(=N1)(NC)NC)(NC)NC)NC,non-mutagenic
+CCOS(=O)(=O)C,mutagenic
+OC(=O)[C@H](CC[S@](=O)(=N)C)N,non-mutagenic
+[N-]=[N+]=CC(=O)NCC(=O)NN,mutagenic
+CC(=O)Nc1cccc(c1)N,mutagenic
+Nc1cccc(c1C)N.Cl.Cl,mutagenic
+OC(=O)[C@H](Cc1c[nH]c2c1cc(O)cc2)N,non-mutagenic
+[N-]=[N+]=Nc1ccc(c(c1)[N+](=O)[O-])F,mutagenic
+COC1=CC(=O)c2c(C1=O)nc(c1c2[nH]c2c1cncc2)C,mutagenic
+CC/C=C/C=C/C=C/C=C/C=C/OC[C@@H](CO)O,mutagenic
+ClC/C=C/Cl,mutagenic
+Nc1ccccc1c1ccccc1.Cl,mutagenic
+N[C@H](C(=O)O)CS/C=C/Cl,non-mutagenic
+CNC1Cc2cccc3c2c(C1)ccc3.Cl,mutagenic
+c1ccc2c(n1)[C@@H]1O[C@@H]1[C@@H]1[C@H]2O1,non-mutagenic
+CCCn1cc2c3c1cccc3[C@@H]1[C@@H](C2)N(C)CC(=C1)C,mutagenic
+[O-][N+](=O)c1cccc2c1[nH]nc2,mutagenic
+OC(=O)c1cc2ccccc2cc1O,non-mutagenic
+O=C(N[C@H](C(=O)O)CC(=O)O)COc1ccc(cc1Cl)Cl,non-mutagenic
+N#C[C@H](c1cccc(c1)Oc1ccccc1)OC(=O)[C@H](c1ccc(cc1)Cl)C(C)C,non-mutagenic
+NC(=O)Nc1cc(ccc1O)[C@@H](CNC(C)(C)C)O.Cl,non-mutagenic
+O=CC(=C(C)C)Cl,mutagenic
+OC(=O)C([C@@](C([C@](C(Cl)(F)F)(Cl)F)(F)F)(Cl)F)(F)F,non-mutagenic
+[O-][N+](=O)c1cccc(c1C)/N=[N+](/c1cccc(c1C)[N+](=O)[O-])\[O-],non-mutagenic
+Cc1ccc(c(c1)C)/N=N/c1c(O)ccc2c1cccc2,mutagenic
+c1ccc2-c3c4c(-c2c1)cccc4ccc3,mutagenic
+Fc1ccc2-c3c([C@H](c2c1)C)cccc3,mutagenic
+ClCCN([P@]1(=O)OCCCN1CCCl)CCCl,mutagenic
+OCCN(c1ccc(cc1)/N=N/c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])CCO,mutagenic
+ONc1nc(N)nc2c1nc[nH]2,mutagenic
+OC(=O)C/C(=C\C(=O)O)/C(=O)O,non-mutagenic
+O=NN(C)C,mutagenic
+CNC(=O)O/N=C/C(SC)(C)C,non-mutagenic
+O=Cc1c2ccccc2cc2c1cccc2,non-mutagenic
+OS(=O)(=O)O.COc1ccc(cc1N)N,mutagenic
+CCCCCN(C(=O)[C@@H](NC(=O)c1ccc(c(c1)Cl)Cl)CCC(=O)O)CCCOC,non-mutagenic
+CCc1c2ccc3c(c2cc2c1cccc2)[C@@H]1O[C@@H]1[C@@H]([C@H]3O)O,mutagenic
+[O-][N+](=O)[C@@H](CC)C,non-mutagenic
+O=C1CC[C@H](N1)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N)Cc1nc[nH]c1,non-mutagenic
+Cc1ccc(cc1)/N=N/NCc1ccccc1,mutagenic
+CCC/C=C(/C=O)\CC,non-mutagenic
+OC[C@H]1O[C@@H](O[C@@]23C=C(C)C4([C@]([C@@H]3C(=O)C(C2)(C)C)(C)O)CC4)[C@@H]([C@H]([C@@H]1OC(=O)/C=C/c1ccc(cc1)O)O)OC(=O)C,mutagenic
+Oc1ccc(cc1)/N=N/c1ccc(cc1)c1ccc(cc1)/N=N/c1c(N)c2c(cc1S(=O)(=O)O)cc(c(c2O)/N=N/c1ccccc1)S(=O)(=O)O.[Na+].[Na+],mutagenic
+N[C@@H]1CCC[C@H](C1)N,non-mutagenic
+O=C1c2ccccc2N/C/1=C\1/Nc2c(C1=O)cccc2,mutagenic
+C1CCC(CC1)N1[C@@H]2[C@H]1c1ccccc1-c1c2cccc1,mutagenic
+Cl[C@@H](C=C)CCl,non-mutagenic
+COc1ccccc1N.Cl,mutagenic
+BrC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3,mutagenic
+C/N=N/O.[K+],mutagenic
+CN(c1ccc(cc1)/N=N/c1ccc2c(c1)scn2)C,mutagenic
+C/C(=C\C(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@]1(C)C[C@@H](O)[C@H]1[C@H]2CCC2=CC(=O)C=C[C@]12C)/CC/C=C(\CCC=C(C)C)/C,non-mutagenic
+O[C@H]([C@H](C(=O)O)O)C(=O)O.[Na+].[Na+],non-mutagenic
+OS(=O)(=O)c1cc2ccc(c(c2c(c1)S(=O)(=O)O)/N=N/c1ccc(cc1C)c1ccc(c(c1)C)/N=N/c1ccc(cc1)OS(=O)(=O)c1ccc(cc1)C)O.[Na+].[Na+],mutagenic
+C=CS(=O)(=O)C,non-mutagenic
+CC(C[C@H](O)C)C,non-mutagenic
+COC(=O)c1ccc(cc1)/C=N/n1nnc2c(c1=O)[nH]c1c2cccc1,mutagenic
+O=C/C=C/c1ccccc1,non-mutagenic
+Brc1ccccc1c1ccccc1,non-mutagenic
+COc1ccc(cc1)CNC(=O)[C@H](Br)C,mutagenic
+CSCC[C@@H](C(=O)O)NC(=O)COc1cc(Cl)c(cc1Cl)Cl,non-mutagenic
+Cc1cc(ccc1N)/N=N/c1ccccc1C,mutagenic
+[N-]=[N+]=Nc1ccc2c(c1)nc1c(c2Nc2ccc(cc2)C(=O)O)cccc1,mutagenic
+OC(=O)CN(CC(=O)O)CC(=O)O.[Na+].[Na+].[Na+].O,non-mutagenic
+C[C@]1(OC1)c1ccccc1,mutagenic
+C[C@@H]1c2ccccc2-c2c1cc(C)c(c2)C,mutagenic
+CCCCCC[C@@H]1OC1,non-mutagenic
+O=C1C=CC(=[N+]=[N-])C=C1,mutagenic
+COC1(CCCC1)O[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@@H]2[C@]1(C)C[C@H]1S[C@H]1C2,non-mutagenic
+CN(/N=N/c1ccc(cc1)[N+](=O)[O-])C,mutagenic
+OC[C@H](COP(=O)(O)O)O.[K+].[K+],non-mutagenic
+COc1cc(ccc1O)C[C@H]1CO1,mutagenic
+N[C@H](C(=O)O)CS/C(=C(/C(Cl)(Cl)Cl)\Cl)/Cl,mutagenic
+O[C@H]1C=CC=C[C@@H]1O,mutagenic
+CC/N=N/O.[K+],mutagenic
+OCC(=O)[C@@]1(O)C[C@H](O[C@H]2C[C@H](N)C[C@@H](O2)C)c2c(C1)c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2OC,mutagenic
+CC(=O)OCc1ccc(cc1)/N=N/c1ccc(cc1)COC(=O)C,mutagenic
+C1COCCO[C@@H]2CCCC[C@H]2OCCOCCOCCO[C@H]2[C@H](OCCO1)CCCC2,non-mutagenic
+CCCCCCCCCCCCCC[N+](Cc1ccccc1)(C)C.Cl,non-mutagenic
+O[I](=O)(=O)=O.NCC(=O)NCC(=O)NCC(=O)NCC(=O)O,non-mutagenic
+CCc1cc2ccccc2c2c1c1[C@@H]3O[C@@H]3[C@@H]([C@H](c1cc2)O)O,mutagenic
+NC[C@@H](C(=O)N[C@@H]1C[C@@H](N)[C@H]([C@@H]([C@H]1O[C@H]1OC[C@]([C@@H]([C@H]1O)NC)(C)O)O)O[C@H]1O[C@H](CN)[C@H]([C@@H]([C@H]1O)O)O)O,non-mutagenic
+C[C@H]1CN(C)[C@H]2[C@H](C1)c1cc(Br)cc3c1c(C2)cn3CC1CC1,non-mutagenic
+OS(=O)(=O)O.OC[P+](CO)(CO)CO,non-mutagenic
+Fc1ccc2-c3c(-c4c2c1ccc4)c1ccccc1cc3,mutagenic
+Oc1ccc2c(c1)c(cc(c2)S(=O)(=O)O)S(=O)(=O)O.[Na+].[Na+],non-mutagenic
+COC1=CC(=O)c2c(C1=O)c1[nH]c3c(c1c(n2)C)cccc3,mutagenic
+O=C1OC[C@]2(C(=C1)C(=C[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@]2(OC(=O)C)C(=O)C)C)Cl)C,non-mutagenic
+Cc1ccc(cc1)/N=N/c1c(O)ccc2c1cccc2,non-mutagenic
+O=C(c1ccccc1)OCC(COC(=O)c1ccccc1)(COC(=O)c1ccccc1)COC(=O)c1ccccc1,non-mutagenic
+OS(=O)(=O)O.Nc1ccc2c(c1)nc1c(c2)ccc(c1)N,mutagenic
+CCCCCCCCCCSCn1cc[n+](c1)C.Cl,mutagenic
+Nc1c2ccccc2nc2c1cccc2,mutagenic
+CC(=O)[C@H](C(=O)Nc1ccccc1)/N=N/c1ccc(cc1Cl)c1ccc(c(c1)Cl)/N=N/[C@@H](C(=O)Nc1ccccc1)C(=O)C,non-mutagenic
+COC(=O)C1=C(C)NC(=C([C@@H]1c1ccccc1[N+](=O)[O-])C(=O)OC)C,non-mutagenic
+O/C=C\1/C[C@@]2(C)[C@H](CC1=O)CC[C@@H]1[C@@H]2CC[C@]2([C@@H]1CC[C@]2(C)O)C,non-mutagenic
+OC[C@H]1O[C@H](C[C@@H]1O)n1c(O)nc2c1nc(N)[nH]c2=O,non-mutagenic
+O/N=C/1\C=C/C(=N/O)/C=C1,mutagenic
+COc1cc2O[C@@H]3[C@H](c2c2c1c1CCC(=O)c1c(=O)o2)CCO3,mutagenic
+c1ccc(nc1)c1ccccn1,mutagenic
+[O-][N+](=O)CC,non-mutagenic
+CC(=O)O[C@@H]1Cc2c3c1c1ccc4c(c1cc3ccc2C)cccc4,mutagenic
+Nc1ccc(cc1)Cl.Cl,mutagenic
+ClC(/C(=C(\C(=O)O)/Cl)/C(=O)O)Cl,mutagenic
+O=C(C1c2ccccc2Oc2c1cccc2)OCC[N+](C(C)C)(C(C)C)C.Br,non-mutagenic
+NC1CCCCC1.OCCCN[P@](=O)(N(CCCl)CCCl)O,mutagenic
+O=C([C@H](Cc1c[nH]cn1)NC(=O)[C@@H](CS(=O)(=O)C(C)(C)C)Cc1ccccc1)N[C@H]([C@H]([C@H](C1CC1)O)O)CC1CCCCC1,non-mutagenic
+ClCCc1cn([C@H]2C[C@@H]([C@H](O2)CO)O)c(=O)[nH]c1=O,non-mutagenic
+O[C@@H]1C=Cc2c([C@H]1O)cc1c(c2)cc(cc1)[N+](=O)[O-],mutagenic
+COc1ccc2c3c1C(=O)N(C)C(=O)c3ccc2,non-mutagenic
+[O-]/[N+](=N\c1ccc2-c3c(Cc2c1)cccc3)/c1ccc2-c3c(Cc2c1)cccc3,non-mutagenic
+Cc1cc(O)c(c(=O)o1)C(=O)C.[Na+],non-mutagenic
+O[C@H]1[C@@H]2O[C@@H]2c2c([C@@H]1O)ccc1c2nc2ccc3c(c2c1)cccc3,mutagenic
+OS(=O)(=O)c1ccc2c(c1)c(/N=N/c1ccc(c(c1)C(=O)O)O)ccc2/N=N/c1ccc(cc1)c1ccc(cc1)/N=N/c1ccc(c(c1)C(=O)O)O,mutagenic
+O=CCC=O,mutagenic
+Cc1nsc(c1)N.Cl,mutagenic
+CCCCN1[C@@H]2[C@H]1c1ccccc1-c1c2cccc1,mutagenic
+O[C@@H]1CC[C@]2([C@@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)C,non-mutagenic
+CCOC(=O)O[C@H](c1ccnc2c1cc(OC)cc2)[C@@H]1C[C@@H]2CCN1C[C@@H]2C=C,non-mutagenic
+OS(=O)(=O)O.OC[C@@H]1O[C@@H](O[C@H]([C@@H](C(=O)N[C@@H]([C@@H]([C@H](C(=O)N[C@@H](C(=O)NCCc2scc(n2)c2ncc(s2)C(=O)NCCC[S+](C)C)[C@@H](O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)c2nc[nH]c2)[C@H]([C@@H]([C@@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@H]([C@@H]1O)OC(=O)N)O.OC[C@@H]1O[C@@H](O[C@H]([C@H](C(=O)N[C@@H]([C@@H]([C@@H](C(=O)N[C@@H](C(=O)NCCc2scc(n2)c2ncc(s2)C(=O)NCCC[S+](C)C)[C@@H](O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)c2nc[nH]c2)[C@H]([C@@H]([C@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@H]([C@@H]1O)OC(=O)N)O,mutagenic
+O[C@@H]1C[C@@]2(C)[C@H]([C@]([C@@H]1O)(C)C(=O)O)CC[C@@]1([C@@H]2CC=C2[C@]1(C)CC[C@]1([C@H]2CC(C)(C)CC1)C(=O)O)C,non-mutagenic
+CN(CCN(c1ccccn1)Cc1cscc1)C.Cl,non-mutagenic
+Cc1ccc(cc1/N=[N+](/c1cc(ccc1C)[N+](=O)[O-])\[O-])[N+](=O)[O-],non-mutagenic
+c1ccc2c(c1)cc(cc2)OC[C@H]1CO1,mutagenic
+O=C1c2cc3ccccc3cc2-c2c1cccc2,mutagenic
+CNc1ccc(cc1)/N=N/c1ccccc1,mutagenic
+CCN(c1ccc(c(c1)O)N=O)CC.Cl,non-mutagenic
+C[C@@H](c1ccccc1)Br,non-mutagenic
+COc1cc(CNC(=O)[C@H](Br)C)ccc1O,mutagenic
+OC(=O)c1ccccc1.[Na+],non-mutagenic
+OC(=O)[C@@H]1CC(N(C1(C)C)O)(C)C,non-mutagenic
+Cc1ccc2c(-c3ccccc3[C@H]2C)c1,mutagenic
+O=C1CC[C@]2(C(=C1)[C@@H]1C[C@@H]1[C@@H]1[C@@H]2CC[C@]2([C@H]1[C@@H]1C[C@@H]1[C@]12CCC(=O)O1)C)C,non-mutagenic
+CC[C@H]([C@@H](N(C(=O)[C@@H](C(C)C)NC(=O)[C@H](N(C)C)C(C)C)C)[C@@H](CC(=O)N1CCC[C@H]1[C@@H]([C@@H](C(=O)N[C@@H](c1nccs1)Cc1ccccc1)C)OC)OC)C,non-mutagenic
+[O-][N+](=O)c1ccc(cc1)/C=N/n1nnc2c(c1=O)[nH]c1c2cccc1,mutagenic
+O=c1cn[nH]c(=O)[nH]1.OCCNCCO,mutagenic
+CNC[C@H](c1ccc(c(c1)O)O)O.Cl,non-mutagenic
+CC(=O)Nc1ccc(c2c1c(O)c(/N=N/c1ccc(c3c1cc(cc3)S(=O)(=O)O)/N=N\c1ccc(cc1)S(=O)(=O)O)c(c2)S(=O)(=O)O)S(=O)(=O)O.[Na+].[Na+].[Na+].[Na+],non-mutagenic
+Nc1ccc2c(c1)oc1-c(c2c2ccccc2C(=O)O)ccc(=N)c1,non-mutagenic
+c1ccc(cc1)c1ccc(cc1)C[C@H]1CO1,mutagenic
+BrC[C@H](c1ccccc1)Br,mutagenic
+CCC/N=N/O.[K+],mutagenic
+NCC(=O)NCc1nc(nn1c1ccc(cc1C(=O)c1ccccc1Cl)Cl)C(=O)N(C)C.Cl.O.O,non-mutagenic
+OCc1c(O[C@H]2O[C@H](CO[C@@H]3OC[C@H]([C@@H]([C@H]3O)O)O)[C@H]([C@@H]([C@H]2O)O)O)cc2c(c1O)C(=O)c1c(C2=O)cccc1,mutagenic
+CCC(=O)c1c2cccc(c2c(c2c1cccc2O)O)O,mutagenic
+c1ccc2c(c1)c(OC[C@H]1CO1)ccc2,mutagenic
+OOCc1cn([C@H]2C[C@H]([C@H](O2)CO)O)c(=O)[nH]c1=O,mutagenic
+OCC[C@H](CCC=C(C)C)C,non-mutagenic
+C[C@H]([C@@H](CBr)Br)Cl,mutagenic
+Oc1nc(=O)n(c(=O)n1Cl)Cl.[Na+],non-mutagenic
+COC1=CC(=O)c2c(C1=O)ncc1c2[nH]c2c1CCCC2,mutagenic
+CS(=O)(=O)O.CCN(CCNc1ccc(c2c1c(=O)c1c(s2)cccc1)CO)CC,mutagenic
+COC(=O)[C@@H](NC(=O)C)CSC[C@H](Br)C,mutagenic
+O=[S@@]1OC[C@H]2[C@H](CO1)[C@]1(C([C@]2(Cl)C(=C1Cl)Cl)(Cl)Cl)Cl,non-mutagenic
+ClCC(=O)NCc1ccccc1,mutagenic
+Fc1ccc2c(c1)ccc1-c3c4c(-c21)cccc4ccc3,mutagenic
+O=C1C=C(N2CC2)C(=O)c2c1nc(C)c1c2[nH]c2c1cccc2,mutagenic
+C[C@H](C(=O)NCc1ccc(cc1)Cl)Br,mutagenic
+OS(=O)(=O)O.CN[C@H]([C@@H](c1ccccc1)O)C.CN[C@H]([C@@H](c1ccccc1)O)C,non-mutagenic
+O=C(OC(C)(C)C)N/N=C/c1c[n+]([O-])c2c([n+]1[O-])cccc2,mutagenic
+Cc1ccc(cc1)C[C@@H]1OC1,mutagenic
+COc1cc(N)ccc1N,mutagenic
+O[C@@H]1C=Cc2c([C@H]1O)ccc1c2nccc1,mutagenic
+C[C@H](C=O)CC,non-mutagenic
+OCC(=O)[C@@]1(O)C[C@H](O[C@H]2C[C@H](N)[C@H]([C@@H](O2)C)O)c2c(C1)c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2OC,mutagenic
+OC(=O)c1ccc(cc1)/N=N/c1ccc(c(c1)C(=O)O)O,non-mutagenic
+OS(=O)(=O)O.OCc1c2ccc3c(c2cc2c1cccc2)cccc3.[Na+],mutagenic
+CCCCCCCC/C=C/CCCCCCCC(=O)O.NCCO,non-mutagenic
+OC(=O)[C@@H]1CSSC(C(=O)N1)(C)C,non-mutagenic
+CC(=O)Nc1ccc2-c3c(Cc2c1)cccc3,mutagenic
+CCCCCCCOc1ccccc1NC(=O)O[C@@H](CN(CC)CC)C.Cl,non-mutagenic
+COc1ccc(cc1)N.Cl,mutagenic
+O[C@@H]1CC[C@]2([C@@H](C1)C[C@@H]([C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)O)C,non-mutagenic
+O=C1CC[C@H](C(=O)N1)N1C(=O)c2c(C1=O)cccc2,non-mutagenic
+CN(c1ccc(cc1)/N=N/c1cccnc1)C,non-mutagenic
+N[C@H](C(=O)O)CCCCNC[C@@H](C(=O)O)N,non-mutagenic
+COc1c(O)c2N(CCc2c2c1[nH]c(c2)C(=O)N1C[C@@H]2[C@]3(C1=CC(=O)c1c3c(C)c[nH]1)C2)C(=O)c1cc2c([nH]1)c(OC)c(c1c2CCN1C(=O)N)O,non-mutagenic
+OC(=O)CCC(=O)O.[Na+].[Na+],non-mutagenic
+O=C1CCC2=C3C=C[C@]4([C@H]([C@@H]3CCC2=C1)CC[C@@H]4O)C,non-mutagenic
+Cc1c2[C@H]3O[C@H]3c3c(-c2cc2c1cccc2)cccc3,mutagenic
+Nc1ncnc2c1nc[nH]2,mutagenic
+C1CCCCC[C@H]2[C@H](CCCC1)O2,non-mutagenic
+C[C@H]1CC(C)(C)c2c(C1(C)C)cc(c(c2)C(=O)C)C,non-mutagenic
+O[C@@H]1[C@@H]2O[C@@H]2c2c([C@H]1O)ccc1c2cc2cccc3c2c1C=C3,mutagenic
+CN[C@@H](C(=O)N([C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)[C@H](c1ccc(cc1)O)C(=O)N)CC(=O)O,non-mutagenic
+N#C[C@H](c1cccc(c1)Oc1ccccc1)OC(=O)[C@@H]1[C@H](C1(C)C)C=C(Cl)Cl,non-mutagenic
+Nc1nc(N)c2c(n1)[nH]cn2,non-mutagenic
+OC(=O)[C@@H]1N[C@@H](c2ccccc2)c2c(C1)c1ccccc1[nH]2,non-mutagenic
+CC(C[C@@H](C(=O)O)NC(=O)COc1cc(Cl)c(cc1Cl)Cl)C,non-mutagenic
+O=CC[C@H]1C[C@@H](C)[C@H](O)/C=C/C=C/C[C@H](OC(=O)C[C@@H]([C@@H]([C@H]1O[C@@H]1O[C@@H](C)[C@@H]([C@@H]([C@H]1O)N(C)C)O[C@@H]1O[C@H](C)[C@H]([C@](C1)(C)OC(=O)CC)OC(=O)CCC)OC)O)C,non-mutagenic
+O=C/C(=C(/C(=O)O)\Cl)/C(Cl)Cl,mutagenic
+[O-][N+](=O)c1cc2c(c3c1cccc3)ccc1c2cccc1,mutagenic
+Cc1cccc(c1)N.Cl,non-mutagenic
+O[C@@H]1C[C@H]2C([C@]1(C)CC2)(C)C,non-mutagenic
+CC(=O)N(c1ccc(cc1)/N=N/c1ccc(cc1)N(C)C)C,mutagenic
+O=C1c2ccccc2-c2c(C1=O)c1ccccc1cc2,non-mutagenic
+ClCCNCCCNc1c2ccccc2nc2c1ccc1c2nccc1.Cl.Cl,mutagenic
+CC(=C[C@H]1[C@H](C1(C)C)C(=O)O)C,non-mutagenic
+Oc1ccc(c2c1c(=O)c1c(o2)cc2c(c1O)[C@]1(O)C=CO[C@@H]1O2)CCC(O)(C)C,mutagenic
+Cc1ccc(cc1)/N=N/N(C)C,mutagenic
+COc1ccc(cc1)C[C@@H]1OC1,mutagenic
+COc1cc(CNC(=O)[C@H](Br)C)ccc1OC,mutagenic
+n1ccc(cc1)c1ccncc1,mutagenic
+O[C@@H]1OC(=O)C=C1CCl,mutagenic
+Cc1cccc2c1-c1ccccc1[C@@H]2C,mutagenic
+O=c1n(/N=C/c2ccccc2)nnc2c1[nH]c1c2cccc1,mutagenic
+Clc1ccc(cc1)O[C@@H](C(=O)C(C)(C)C)n1cncc1,non-mutagenic
+OC[C@H]1O[C@H](C[C@H]1O)n1cc(CC)c(=O)[nH]c1=O,non-mutagenic
+OC(=O)[C@H](c1ccc(cc1)Oc1nccs1)C,non-mutagenic
+CCNCC#CC(OC(=O)[C@@](c1ccccc1)(C1CCCCC1)O)(C)C.Cl,non-mutagenic
+C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@@H](c1ccnc2c1cc(OC)cc2)O.Cl.Cl,non-mutagenic
+OCCNc1ccc(cc1)/N=N/c1ccc(cc1)NCCO,mutagenic
+CC(=C[C@H]1[C@@H](C1(C)C)C(=O)OCc1cccc(c1)Oc1ccccc1)C,mutagenic
+CC[C@H](OS(=O)(=O)C)C,mutagenic
+O[C@@H]1C=Cc2c([C@H]1O)ccc1c2cc2ccc3c(c2c1)cccc3,mutagenic
+COC(=O)[C@]12Oc3ccc(c(c3C(=O)C2=C(C[C@H]([C@H]1O)C)O)O)c1ccc2c(c1O)C(=O)C1=C(O)C[C@H]([C@H]([C@]1(O2)C(=O)OC)O)C,non-mutagenic
+Oc1ccc2c(c1/N=N/c1ccc(cc1)S(=O)(=O)O)ccc(c2)S(=O)(=O)O.[Na+].[Na+],non-mutagenic
+N#[N+]c1cccc2c1C(=O)c1c(C2=O)cccc1.Cl,mutagenic
+c1ccc(cc1)Cc1ccccc1OC[C@H]1CO1,mutagenic
+OCCNC(=O)[C@H](O)C,mutagenic
+O=CC[C@H](CCC=C(C)C)C,non-mutagenic
+Cc1ccc(cc1)S(=O)(=O)O.CCOC[C@H](COc1ccc(cc1)NC(=O)CC[S+](C)C)O,non-mutagenic
+COc1cc2-c3c4OCOc4cc4c3[C@@H](Cc2cc1OC)N(C)CC4,mutagenic
+Fc1ccc(cc1)[C@@H]1O[C@H]1C(=O)c1ccccc1,non-mutagenic
+C1C[C@@H]2O[C@H]2CC[C@@H]2[C@H]1O2,non-mutagenic
+ONc1ncnc2c1nc[nH]2,mutagenic
+N#C/C=C/C#N,non-mutagenic
+OC[C@@]12SS[C@@]3(N(C1=O)[C@@H]1[C@@H](O)C=CC=C1C3)C(=O)N2C,non-mutagenic
+Nc1cccc2c1cccn2,mutagenic
+N[C@@H]1C[C@@H](O[C@@H]([C@H]1O)C)O[C@@H]1C[C@@](O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)c(O)ccc2)C(=O)C,mutagenic
+COc1ccc(cc1)CC[C@@H]1OC1,mutagenic
+Cc1ccccc1O.Cc1cccc(c1)O.Cc1ccc(cc1)O,non-mutagenic
+O[C@@H]1[C@@H]2O[C@@H]2c2c([C@H]1O)ccc1c2nccc1,mutagenic
+CO[C@@H]1OC(=O)C(=C1C(Cl)Cl)Cl,mutagenic
+ClCCN([P@@](=O)(OCCC(=O)O)N)CCCl,mutagenic
+COc1ccc(cc1)/C(=C\C(=O)O)/Br.[Na+],mutagenic
+CC(=O)Nc1ccc(cc1)/N=N/c1ccc(cc1)N(C)C,mutagenic
+O=CC1=C[C@@]2(O)CC(CC2[C@]23[C@@]1(C2)[C@H](O)OC3=O)(C)C,mutagenic
+O[C@@H]1C=Cc2c([C@H]1O)ccc1c2cc2ccccc2c1Cl,mutagenic
+O[C@H]1C=Cc2c([C@@H]1O)cc1c3c2ccc2c3c(cc1)ccc2,mutagenic
+C[C@H]([C@H]1C(=O)N2[C@H]1SC(=C2C(=O)O)[C@H]1CCCO1)O.[Na+],non-mutagenic
+S=C=NCCc1ccccc1,mutagenic
+CC/C=C/C=C/C=C/C=C/OC[C@@H](CO)O,mutagenic
+CC(C1=C/C(=C/C=C/2\C=C(C(=O)C(=C2)C(C)(C)C)C(C)(C)C)/C=C(C1=O)C(C)(C)C)(C)C,non-mutagenic
+CC[C@]1(OCCc2c1[nH]c1c2cccc1[C@H](O)C)CC(=O)O,non-mutagenic
+C=C1CC[C@H]2C[C@@H]1C2(C)C,non-mutagenic
+C[C@H](CN(C[C@H](O)C)C[C@H](O)C)O.OC(=O)COc1ccc(cc1Cl)Cl,non-mutagenic
+OC/C(=C(/CO)\Br)/Br,mutagenic
+O[C@@H]1C=C[C@@H]2[C@H]([C@H]1O)O2,mutagenic
+O=c1oc(c(o1)CN1CCN(CC1)c1cc2c(cc1F)c(=O)c(c1n2[C@H](C)S1)C(=O)O)C,non-mutagenic
+N#Cc1ccc(cc1)[C@]1(C)OC1,mutagenic
+CCCCOc1ccc2c(n1)c(NCCCN(CCCl)CC)c1c(n2)cc(cc1)Cl.Cl.Cl.O,mutagenic
+OC/C=C/Cl,mutagenic
+Cn1sc(cc1=O)Cl.Cn1sccc1=O,mutagenic
+c1ccc2c(c1)c(OC[C@H]1CO1)ns2,mutagenic
+CN(c1ccc(cc1)/N=N/c1ccc(cc1)N(C(=O)C)C)C(=O)C,non-mutagenic
+O1C[C@@H]1COc1ccc(cc1)Cc1ccccc1,mutagenic
+CN(c1ccc(cc1)/N=N/c1ccccc1)CCC#N,mutagenic
+O[C@@H]1C=Cc2c([C@H]1O)cc1c3c2-c2ccccc2-c3cc2c1cccc2,mutagenic
+CO/N=C(/c1csc(n1)N)\C(=O)N[C@@H]1C(=O)N2[C@H]1SCC(=C2C(=O)OCOC(=O)C(C)(C)C)/C=C\c1scnc1C,non-mutagenic
+CC(=CCc1ccc(c2c1oc1cc3O[C@@H]4[C@@](c3c(c1c2=O)O)(O)C=CO4)O)C,mutagenic
+CC(=O)OC/C=C(\C=C\C=C(\C=C\C1=C(C)CCCC1(C)C)/C)/C,non-mutagenic
+O=CC1=C2CC(C[C@@H]2[C@H]([C@@]2([C@@]1(C=O)C2)C)O)(C)C,mutagenic
+Nc1ccc(c(c1)N)C,mutagenic
+COc1nsc2c1cc(OC[C@H]1CO1)cc2,mutagenic
+Cc1cc(C)c(cc1/N=N/c1cc(c2c(c1O)cccc2)S(=O)(=O)O)S(=O)(=O)O.[Na+].[Na+],non-mutagenic
+Clc1ccc(cc1)/C=N/n1nnc2c(c1=O)[nH]c1c2cccc1,mutagenic
+[N-]=[N+]=CC(=O)NCC(=O)N,mutagenic
+N#Cc1cc(c2ccncc2)c([nH]c1=O)C,non-mutagenic
+CCOP(=O)(O/C(=C/Br)/c1ccc(cc1Cl)Cl)OCC,non-mutagenic
+OC(=O)COc1ccc(cc1Cl)Cl.CNC,non-mutagenic
+OC(=O)CN(CC(=O)O)CC(=O)O.[Na+].[Na+].[Na+],non-mutagenic
+COc1cc(ccc1OC)Cc1cnc(nc1N)N,mutagenic
+CCOC(=O)CNC(=O)CCCCSc1ncnc2c1nc[nH]2,non-mutagenic
+CCOCCOC(=O)/C=C/c1ccc(cc1)OC,non-mutagenic
+C[C@@]1(CO1)[C@H]1CO1,mutagenic
+NC(=O)[C@H]1CO1,mutagenic
+NC(=N)N/N=C/1\C=C/C(=N\NC(=S)N)/C=C1,mutagenic
+Cl[C@@H](c1ccccc1)C(=O)Cl,mutagenic
+Nc1ccc(cc1)/N=N/c1ccc(cc1)N,mutagenic
+OC/C=C(\CCC=C(C)C)/C,non-mutagenic
+Clc1ccc(c(c1)C)N,mutagenic
+OC(=O)[C@H](CSC(=C(Cl)Cl)Cl)N,mutagenic
+Br/C=C/c1cn([C@H]2C[C@@H]([C@H](O2)CO)O)c(=O)[nH]c1=O,non-mutagenic
+BrCc1cc(=O)oc2c1ccc(c2)OC(=O)C,non-mutagenic
+C[n+]1ccsc1/N=N/c1c(c2ccccc2)n(c2c1cccc2)C.Cl,mutagenic
+CCNC(=O)Nc1ccc(c(c1)C(=O)C)OC[C@@H](CNC(C)(C)C)O,non-mutagenic
+O[C@@H]1CC[C@]2([C@H](C1)CC(=O)[C@H]1[C@H]2CC[C@@]2([C@@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)C,non-mutagenic
+OCc1c2ccccc2c(c2c1c1ccccc1cc2)COS(=O)(=O)O.[Na+],mutagenic
+OCCCCCl,mutagenic
+Nc1ccc2c(c1/N=N/c1ccc(cc1)c1ccc(cc1)/N=N/c1cc(c3c(c1N)cccc3)S(=O)(=O)O)c(O)cc(c2)S(=O)(=O)O,mutagenic
+N[C@H](C(=O)NCC(=O)O)CS,mutagenic
+[O-][N+](=O)c1ccc(cc1)COc1ccccc1,non-mutagenic
+O/N=c/1\[nH]c2c(n1C)cc(cn2)c1ccccc1,mutagenic
+Clc1cc(ccc1/N=N/c1c2ccc(cc2cc(c1N)S(=O)(=O)O)S(=O)(=O)O)c1ccc(c(c1)Cl)/N=N/c1c2ccc(cc2cc(c1N)S(=O)(=O)O)S(=O)(=O)O.[Na+].[Na+].[Na+].[Na+],non-mutagenic
+C[C@]12CC[C@@H](C2(C)C)C[C@@]1(C)O,non-mutagenic
+ClC[C@](CBr)(Br)C,non-mutagenic
+COc1cc2O[C@@H]3[C@H](c2c2c1c1[C@@H](O)CC(=O)c1c(=O)o2)C=CO3,mutagenic
+Oc1ccc2c(c1/N=N/c1ccc3c(c1S(=O)(=O)O)cccc3)cccc2.[Na+],non-mutagenic
+[O-][N+](=O)C,non-mutagenic
+O=C(Nc1ccc(cc1)[N+](=O)[O-])CC[C@@H](C(=O)O)N,non-mutagenic
+C[C@H](C(=O)N)Br,mutagenic
+Oc1c2c(O[C@@H]3[C@H]2C=CO3)cc2c1c(=O)c1c(o2)cccc1O,non-mutagenic
+C[C@H](CN1C[C@@H](OC1=O)C)O,non-mutagenic
+CN(C1Cc2cccc3c2c(C1)ccc3)C.Cl,mutagenic
+CN(c1ccc(cc1)/N=N/c1ccc2c(c1)cn[nH]2)C,mutagenic
+CC(=O)Nc1ccc(cc1)Cc1ccc(cc1)NC(=O)C,non-mutagenic
+c1cc(OC[C@H]2CO2)c2c(c1)cns2,mutagenic
+CCN(C(=O)Nc1ccc(c(c1)C(=O)C)OC[C@@H](CNC(C)(C)C)O)CC,non-mutagenic
+OCCN(c1ccc(cc1)C)CCO,mutagenic
+O=C1C2=C(N)CCC(=C2C(=O)c2c1cccc2)N,mutagenic
+CSC(/C=N/O)(C)C,non-mutagenic
+OC[C@H]1O[C@@H](O[C@H]([C@@H](C(=O)N[C@@H]([C@@H]([C@@H](C(=O)N[C@@H](C(=O)NCCc2scc(n2)c2scc(n2)C(=O)NCCC[S+](C)C)[C@@H](O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)[C@H](CC(=O)N)NC[C@H](C(=O)N)N)c2nc[nH]c2)[C@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@@H]1O)OC(=O)N)O.OC[C@H]1O[C@@H](O[C@H]([C@H](C(=O)N[C@@H]([C@@H]([C@@H](C(=O)N[C@H](C(=O)NCCc2scc(n2)c2scc(n2)C(=O)NCCCCNC(=N)N)[C@H](O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)[C@H](CC(=O)N)NC[C@H](C(=O)N)N)c2nc[nH]c2)[C@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)OC(=O)N)O,mutagenic
+OC(=O)CCC(=O)O.[Na+],non-mutagenic
+Br[C@@H](C=O)CBr,mutagenic
+CC(=O)/C=C/c1ccccc1,mutagenic
+Clc1ccc(cc1)OCCO/C(=C(\n1cncc1)/C)/c1ccc(cc1Cl)Cl.[O-][N+](=O)O,non-mutagenic
+Cc1cnc(c(n1)C)C,non-mutagenic
+C[C@H](NC(=O)c1cccnc1)CNC(=O)c1cccnc1,non-mutagenic
+O[C@@H]1[C@H]2O[C@H]2c2c([C@H]1O)ccc1c2c(C)cc2c1cccc2,mutagenic
+O[C@H]1C[C@H](O)C(=C)/C(=C\C=C\2/CCC[C@]3([C@H]2CC[C@@H]3[C@@H](/C=C/[C@H](C2CC2)O)C)C)/C1,non-mutagenic
+CCOC(=O)[C@H]1[C@@H](C1(C)C)C=C(C)C,non-mutagenic
+O[C@@H](COc1cccc2c1c1ccccc1[nH]2)CNC(C)C,non-mutagenic
+c1ccc2c(c1)cc1c(c2)cccc1,mutagenic
+CCCCCOc1cccc(c1)NC(=O)O[C@@H]1CCCC[C@H]1N1CCCC1,non-mutagenic
+ClCC1=C(Cl)C(=O)O[C@H]1O,mutagenic
+O=c1[nH][nH]c2c1cccc2,non-mutagenic
+CCOC(=O)[C@H](Br)C,mutagenic
+COc1nsc2c1ccc(c2)OC[C@H]1CO1,mutagenic
+COc1ccc(cc1)/C=N/n1nnc2c(c1=O)[nH]c1c2cccc1,mutagenic
+CSCC[C@@H](C(=O)N[C@H](C(=O)O)Cc1ccccc1)NC=O,non-mutagenic
+OCCC[C@@]1(O)CC[C@@H]2[C@@]1(C)C[C@@H](c1ccc(cc1)N(C)C)C1=C3CCC(=O)C=C3CC[C@@H]21,non-mutagenic
+C[C@@H]1O[C@@H](C)CN(C1)N=O,mutagenic
+O=C([C@@H]1CS[C@@H](C(=O)N1)C)N[C@H](C(=O)N1CCC[C@H]1C(=O)N)Cc1c[nH]cn1,non-mutagenic
+c1ccc2c(-c3ccccc3[C@@H]3[C@H]2O3)c1,mutagenic
+c1ccc(cc1)c1ccc(cc1)OC[C@@H]1OC1,mutagenic
+O=CC1=C[C@H]2CC(C[C@@H]2[C@@]23[C@@]1(C2)[C@H](O)OC3=O)(C)C,mutagenic
+CC(=S)N,non-mutagenic
+SC[C@@H](C(=O)O)NC(=O)C(S)(C)C,non-mutagenic
+OC(=O)C(=O)Nc1cccc(c1)c1nnn[nH]1,non-mutagenic
+Nc1ccc(c(c1C)N)/N=N/c1ccccc1,mutagenic
+Nc1ccc2c(c1)c1ccccc1[nH]2,mutagenic
+OC(=O)C(CC(=O)O)(CC(=O)O)O.CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1,non-mutagenic
+O=C1CC[C@H](N1)C(=O)N1CSC[C@H]1C(=O)O,non-mutagenic
+O=NSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N,mutagenic
+c1ccc(cc1)N/N=N/c1ccccc1,mutagenic
+N#C[C@H](c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)(C)C,non-mutagenic
+CN1C[C@@H](O)c2c3[C@H]1Cc1ccccc1-c3c1c(c2)OCO1,mutagenic
+Nc1ccc2c(c1/N=N/c1ccc(cc1S(=O)(=O)O)[N+](=O)[O-])c(O)cc(c2)S(=O)(=O)O,non-mutagenic
+[O-][N+](=O)c1cc(ccc1c1ccccc1)[N+](=O)[O-],mutagenic
+OP(=O)(O)O.COc1ccc2c3c1O[C@H]1[C@@]43CCN([C@H](C2)[C@@H]4C=C[C@@H]1O)C,non-mutagenic
+O[C@@H]1C=Cc2c([C@H]1O)c1-c3ccccc3-c3c1c(c2)c1ccccc1c3,mutagenic
+C[C@H]1CC[C@H]2[C@@H]([C@@]3([C@@H]1C=CC3=O)C)OC(=O)C2=C,non-mutagenic
+COCCOCO/N=C\1/[C@H](C)C[C@@](C)(O)[C@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@H](C)[C@H](O[C@@H]2O[C@@H](C)[C@H]([C@](C2)(C)OC)O)[C@@H](C(=O)O[C@@H]([C@@]([C@@H]([C@@H]1C)O)(C)O)CC)C,non-mutagenic
+CCN(c1ccc(cc1)/N=N/c1ccccc1)CC,non-mutagenic
+COc1ccc(c(c1)OC)N.Cl,mutagenic
+O[C@@H]1[C@H]2O[C@H]2c2c([C@H]1O)c1ccc3c(c1cc2)cccc3,mutagenic
+O[C@@H]1OC(=O)C(=C1Cl)Cl,mutagenic
+NN[C@](C(=O)O)(Cc1ccc(c(c1)O)O)C,mutagenic
+C[C@@H]1CC[C@H]([C@H](C1)OC(=O)c1ccccc1N)C(C)C,non-mutagenic
+COC(=O)[C@]12C[C@]2(C=O)C(=C[C@H]2[C@H]1CC(C2)(C)C)C=O,mutagenic
+OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c1nc(nc2N)c1ccc(cc1)[N+](=O)[O-],mutagenic
+c1ccc2c(n1)c1c(cc2)CC[C@H]2[C@@H]1O2,mutagenic
+CCOP(=O)(N1[C@@H]2[C@H]1c1ccccc1-c1c2cccc1)OCC,mutagenic
+Cc1ccccc1N.Cl,mutagenic
+c1ccc2-c3cc4ccccc4cc3[C@@H]3[C@H](c2c1)O3,mutagenic
+c1ccc2-c3cc4ccccc4cc3[C@@H]3[C@H](c2c1)N3,mutagenic
+O/N=c/1\[nH]c2c(n1C)ccc1c2cccn1,mutagenic
+OC(=O)O.N.N,non-mutagenic
+O/N=C/c1cccc[n+]1COC[n+]1ccc(cc1)C(=O)N.Cl.Cl,non-mutagenic
+Nc1ccc(c(c1)S(=O)(=O)O)N,non-mutagenic
+[O-]/[N+](=N\c1ccc(c(c1)[N+](=O)[O-])C)/c1ccc(c(c1)[N+](=O)[O-])C,non-mutagenic
+COc1cc2O[C@H]3[C@H](c2c2c1c(=O)c1c(o2)cccc1O)CCO3,non-mutagenic
+Fc1cc2c(cc1N1CCNCC1)n(cc(c2=O)C(=O)O)C1CC1,mutagenic
+Nc1ccc(c(c1)Cl)Cl,non-mutagenic
+O[C@@H](COc1ccc(cc1C(=O)C)N)CNC(C)(C)C,non-mutagenic
+Clc1ccc(cc1)[S@](=O)C,non-mutagenic
+OC[C@H]1O[C@H](C[C@H]1O)n1cc(O)c(nc1=O)N,non-mutagenic
+N=C(NC(=N)N)NCCc1ccccc1,non-mutagenic
+O[C@@H]1C=Cc2c([C@@H]1O)ccc1c2cccc1,mutagenic
+CN(c1ccc(cc1)/N=N/c1ccccc1C(=O)O)C,mutagenic
+COP(=S)(SCC(=O)NCC=O)OC,non-mutagenic
+Oc1ccc(c2c1C(=O)c1ccccc1C2=O)O,mutagenic
+OC(=O)C[C@@H](C[C@H](/C=C/c1c(c2ccc(cc2)F)c2c(n1C(C)C)cccc2)O)O.[Na+],non-mutagenic
+CN(c1ccc(cc1)/N=N/S(=O)(=O)O)C.[Na+],mutagenic
+CC[C@@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](C(=O)[C@@H]([C@H]([C@]1(C)O)O)C)C)(C)O.CCCCCCCCCCCCCCCCCC(=O)O,non-mutagenic
+O[C@@H](COc1ccc(cc1C(=O)C)NC(=O)Nc1ccc(c(c1)C(=O)C)OC[C@@H](CNC(C)(C)C)O)CNC(C)(C)C,non-mutagenic
+COc1cc2c(cc1OC)OC[C@@H]1[C@H]2C(=O)c2c(O1)c1C[C@@H](Oc1cc2)C(=C)C,non-mutagenic
+O=C(COC(=O)C)NCCCOc1cccc(c1)CN1CCCCC1.Cl,non-mutagenic
+c1ccc2c(c1)c1ccc3c4c1c(c2)[C@H]1N[C@H]1c4ccc3,mutagenic
+C/N=N/O,mutagenic
+CCOC(=O)c1ccccc1c1c2-c(oc3c1cc(C)c(c3)NCC)c/c(=N\CC)/c(c2)C,non-mutagenic
+O[C@H]1[C@@H]2O[C@@H]2c2c([C@@H]1O)cc(c1c2ccc2c1cccc2)C,non-mutagenic
+CC(C[C@@H]1NC(=O)CNC1=O)C,non-mutagenic
+CCOC(=O)[C@@H](N[C@H](C(=O)N(C1Cc2c(C1)cccc2)CC(=O)O)C)CCc1ccccc1.Cl,non-mutagenic
+ClNc1nc(NCl)nc(n1)NCl,non-mutagenic
+C[C@@H]1NCCN(C1)c1cc2c(c(c1F)C)c(=O)c(cn2C1CC1)C(=O)O,non-mutagenic
+COc1c(OC)cc2c3c1-c1cc4OCOc4cc1C[C@@H]3N(CC2)C,mutagenic
+Nc1cc(cc(c1O)Cl)[N+](=O)[O-].Cl,mutagenic
+OC[C@H]1O[C@@H](O[C@H]2CC[C@]3(C(=CC[C@@H]4[C@@H]3CC[C@]3([C@H]4C[C@H]4[C@H]3[C@H](C)[C@]3(O4)CC[C@H](CO3)C)C)C2)C)[C@@H]([C@H]([C@@H]1O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@@H]1O)O)O)O)O,non-mutagenic
+OC(=O)/C=C/C(=O)O,non-mutagenic
+O=NN(N(C(=O)/C(=N/O)/C(=O)C)c1ccccc1)C,mutagenic
+CC(=O)OCc1ccccc1/N=N/c1ccc(cc1)N(C)C,mutagenic
+COc1nsc2c1cccc2OC[C@H]1CO1,mutagenic
+CNNC,non-mutagenic
+[N-]=[N+]=Nc1ccc(cc1)Nc1c2ccccc2nc2c1cccc2,mutagenic
+C[C@@H](c1ccccc1)N(C)C,non-mutagenic
+OC(=O)c1cn2[C@@H](C)COc3c2c(c1=O)cc(c3C1(N)CC1)F,non-mutagenic
+CCc1cccc2c1[nH]c1c2CCO[C@@]1(C)CC,non-mutagenic
+COc1ccc2c(c1)ccc(c2)[C@@H](C(=O)O)C,non-mutagenic
+C=CCN1[C@@H]2[C@H]1c1ccccc1-c1c2cccc1,mutagenic
+O=C1CC[C@H](N1C)c1cccnc1,non-mutagenic
+CCCCC/C=C/C=C/C=O,non-mutagenic
+Clc1ccc(cc1)C[C@@H]1OC1,mutagenic
+C/C=C/C=C/C(=O)O.[K+],non-mutagenic
+O=C/C=C(/CCC=C(C)C)\C,non-mutagenic
+c1ccc2c(c1)ccc1c2cc2cccc3c2c1[C@@H]1O[C@H]31,mutagenic
+CN(c1ccc(cc1)/N=N/c1ccccc1)C,mutagenic
+OS(=O)(=O)c1cc(ccc1/C=C/c1ccc(cc1S(=O)(=O)O)Nc1nc(Nc2ccccc2)nc(n1)N1CCOCC1)Nc1nc(Nc2ccccc2)nc(n1)N1CCOCC1.[Na+].[Na+],non-mutagenic
+O=C[C@H]([C@H]([C@@H]([C@H](O)C)N)O)O.CNc1ccc(cc1)C(=O)C,non-mutagenic
+Cc1cccc2-c3c([C@H](c12)C)cccc3,mutagenic
+SC[C@@H](C(=O)O)NC(=O)C(SC)(C)C,non-mutagenic
+Clc1nc(nc(n1)Cl)Nc1ccccc1Cl,non-mutagenic
+CN1CCN(CC1)c1c(F)cc2c3c1OC[C@@H](n3cc(c2=O)C(=O)O)C.O,non-mutagenic
+O[C@H]1[C@@H](O[C@@H]([C@H]([C@@H]1O)O)CO[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O)Oc1ccc2c(c1O)C(=O)c1c(C2=O)cccc1,non-mutagenic
+Nc1ccc(cc1)Oc1ccc(cc1)Oc1ccc(cc1)N,mutagenic
+COC(=O)C1=C(C)NC(=C([C@@H]1c1ccccc1[N+](=O)[O-])C(=O)OCC(=O)C)C,non-mutagenic
+NC[C@@H]1CC[C@H](CC1)C(=O)c1ccc(cc1)CCC(=O)O.Cl,non-mutagenic
+CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@H](C(=O)NCCC(C)C)CC(C)C,non-mutagenic
+Cc1ccccc1/N=N/c1ccc(cc1)N(C)C,non-mutagenic
+O[C@@H]1CC[C@]2([C@@H](C1)CC[C@@H]1[C@@H]2C[C@H](O)[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)C,non-mutagenic
+CCCCC[C@](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C/CCCC(=O)O)(O)C,non-mutagenic
+O=C/C=C/c1ccco1,non-mutagenic
+CCCCCCCCCCCCCCCCCC(=O)O.[Li+],non-mutagenic
+COc1cc2O[C@@H]3[C@@H](c2c2c1c1CCC(=O)c1c(=O)o2)[C@@H]1[C@H](O3)O1,mutagenic
+Cc1ccccc1/N=N/c1c(O)ccc2c1cccc2,mutagenic
+CCCC[N+](=O)[O-],non-mutagenic
+[O-][N+](=O)c1nc[nH]c1c1ccccc1,mutagenic
+N[C@H](C(=O)O)CSCCCl,mutagenic
+OC(=O)O.[Ca+2],non-mutagenic
+OS(=O)(=O)O.Cc1ccc(cc1)[N+]#N,mutagenic
+Cc1ccccc1OP(=O)(Oc1ccccc1C)Oc1ccccc1C,mutagenic
+O[Cl](=O)(=O)=O.CC[N+](=c1ccc2-c(c1)oc1c(n2)c2ccccc2c(c1)N)CC,mutagenic
+O=C1OC2(c3c1cccc3)c1cc(I)c(c(c1Oc1c2cc(I)c(c1I)O)I)O.[Na+].[Na+],non-mutagenic
+C=CC(=O)OCCOC(=O)C=C,non-mutagenic
+O[C@H]1[C@H](O)c2cccc3c2c2c1ccc(c2cc3)[N+](=O)[O-],mutagenic
+C/C=C/C=C/C=O,mutagenic
+CC(=C/C(=N/N=c/1\[nH]ncc2c1cccc2)/C)C.Cl,mutagenic
+COc1cc2O[C@H]3[C@H](c2c2c1c1CCOC(=O)c1c(=O)o2)C=CO3,mutagenic
+OC[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@@H]3[C@H](O)[C@@H](O)[C@@H]([C@@H]([C@@H]3NC(=N)N)O)NC(=N)N)O[C@H]([C@]2(O)C=O)C)[C@@H]([C@@H]([C@H]1O)O)NC,mutagenic
+Cc1cc(N)c(cc1N)C,mutagenic
+O=c1cn[nH]c(=O)[nH]1.NCCO,mutagenic
+COc1cc(c(cc1/N=N/c1c(O)ccc2c1ccc(c2)S(=O)(=O)O)C)S(=O)(=O)O.[Na+].[Na+],non-mutagenic
+O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C.OC(=O)/C=C\C(=O)O,non-mutagenic
+O[C@@H](COc1ccc(cc1)NC(=O)C)CNC(C)C,non-mutagenic
+O[C@H]1[C@@H]2O[C@@H]2c2c([C@@H]1O)ccc1c2c(C)ccc1C,mutagenic
+CCCCC/C(=C\c1ccccc1)/C=O,non-mutagenic
+CN(CC(=O)O)C.Cl,non-mutagenic
+Cc1ccc2c3c1CCc3c1c(-c3ccccc3[C@H]3[C@@H]1O3)c2,mutagenic
+O=C([C@]1(C)OC1)NCc1ccccc1,mutagenic
+ClCCNC(=O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N,mutagenic
+Oc1ccc(c2c1c(=O)c1c(o2)cc2c(c1O)[C@@H]1C=CO[C@@H]1O2)CCC(O)(C)C,mutagenic
+O[C@@H]1CC=Cc2c1cc1ccc3c4c1c2ccc4ccc3,mutagenic
+COc1cc2O[C@@H]3[C@@](c2c2c1c1CCC(=O)c1c(=O)o2)(O)C=CO3,mutagenic
+CC(=O)OCc1ccc(cc1)/N=N/c1ccc(cc1)N(C)C,mutagenic
+Oc1cc(O)c2c(c1)oc(c(c2=O)O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@@H]([C@H]([C@H]2O)O)O)[C@H]([C@H]([C@H]1O)O)O)c1ccc(c(c1)O)O,non-mutagenic
+C[C@H](C(=O)NCc1ccccc1)Br,mutagenic
+CC(=O)Nc1ccc(cc1)/C=N/n1nnc2c(c1=O)[nH]cc2,mutagenic
+Nc1c2ccccc2nc2c1cccc2.Cl.O,mutagenic
+O=C1C=C/C(=N/C(=O)C)/C=C1,non-mutagenic
+C[C@H]([C@H](O)C)O,non-mutagenic
+c1ccc2-c3c4c(-c2c1)cc1cccc2c1c4c(cc3)[C@@H]1[C@H]2O1,mutagenic
+ClCCN(C(=O)N[C@@H]1CC[C@H](CC1)C)N=O,mutagenic
+OC[C@@H]1N[C@@H](Cc2c1[nH]c1c2cccc1)C(=O)O,non-mutagenic
+ClCCN(CCCNc1c2ccccc2nc2c1ccc1c2cccc1)CC.Cl.Cl,mutagenic
+COC(=O)C1=C(C)NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OC/C=C/c1ccccc1)C,non-mutagenic
+CC/N=[N+](/CC)\[O-],non-mutagenic
+Cc1cc(C)cc(c1)/N=N/c1c(O)ccc2c1cccc2,non-mutagenic
+OC[C@H]1O[C@@H](ON(c2ccc(cc2)Oc2ccc(cc2)Cl)C(=O)C)[C@@H]([C@H]([C@@H]1O)O)O.O,mutagenic
+CCCCCCC[C@@H]1CCC(=O)O1,non-mutagenic
+CC(N/C(=N\C(C)C)/OCc1ccc(cc1)[N+](=O)[O-])C,mutagenic
+CCSCCOP(=S)(OC)OC.CCSCCSP(=O)(OC)OC,non-mutagenic
+Clc1cc(ccc1/N=N/c1ccc(cc1)CCNCC[N+](C)(C)C)[N+](=O)[O-],mutagenic
+CCO[P@@](=O)(N(C)C)C#N,non-mutagenic
+CC(c1cc(/C=C/c2cc(c(c(c2)C(C)(C)C)O)C(C)(C)C)cc(c1O)C(C)(C)C)(C)C,non-mutagenic
+OC(=O)CS.[Na+],non-mutagenic
+NC[C@]1(C)C[C@H](N)CC(C1)(C)C,non-mutagenic
+CCN(c1ccc(cc1)/N=N/c1ccc(cc1)[N+](=O)[O-])CC,mutagenic
+O[C@@H]1OC(=O)C(=C1C)Cl,mutagenic
+NNc1nnc(c2c1c1ccccc1[nH]2)n1nc(cc1C)C.Cl,non-mutagenic
+CCOc1ccccc1OC[C@@H]1CNCCO1.Cl,non-mutagenic
+ClN1[C@@H]2[C@H]1c1ccccc1-c1c2cccc1,mutagenic
+OC(=O)CC[C@@H](C(=O)O)N.O.N,non-mutagenic
+Sc1ncnc2c1[nH]cn2.O,mutagenic
+SCCC(=O)N1[C@@H](CS[C@H]1c1ccccc1O)C(=O)O,non-mutagenic
+COc1cc(ccc1OC)C[C@H]1CO1,mutagenic
+CCCCOc1ccc2c(n1)c(NCCCNCCCl)c1c(n2)cc(cc1)Cl.Cl.Cl.O,mutagenic
+OS(=O)(=O)OCc1c2ccccc2c2c3c1ccc1c3c(cc2)ccc1.[Na+],mutagenic
+C[n+]1c2ccccc2cc2c1cccc2N.Cl,mutagenic
+CCCn1cc2c3c1cccc3[C@@H]1[C@@H](C2)N(C#N)C[C@@H](C1)C,mutagenic
+Nc1ccc(c(c1)S(=O)(=O)O)/C=C/c1ccc(cc1S(=O)(=O)O)N,non-mutagenic
+CCOC(=O)[C@@H](N[C@H](C(=O)N1[C@H]2CCCC[C@@H]2C[C@H]1C(=O)O)C)CCc1ccccc1,non-mutagenic
+O(Cc1cccc2c1cccc2)C[C@H]1CO1,mutagenic
+CCCCCC[C@@H](OC(=O)C)C/C=C\CCCCCCCC(=O)OC,non-mutagenic
+Cc1ccc(cc1)S(=O)(=O)N1[C@@H]2[C@H]1c1ccccc1-c1c2cccc1,mutagenic
+OC(=O)CCC(=O)OC[C@@H]([C@@H](c1ccc(cc1)[N+](=O)[O-])O)NC(=O)C(Cl)Cl.[Na+],non-mutagenic
+ClCCN(CCCNc1c2cc(OC)ccc2nc2c1ccc(c2)Cl)CC.Cl.Cl,mutagenic
+Cc1ccc(cc1)/N=N/NCc1ccc(cc1)[N+](=O)[O-],mutagenic
+CN/N=N/C,mutagenic
+CN(c1c(C)n(n(c1=O)c1ccccc1)C)CS(=O)(=O)O.[Na+],mutagenic
+O=C(NNC(=O)OCCOC(=O)C(=C)C)OCCOC(=O)C(=C)C,non-mutagenic
+C/C(=C\C)/C#N,non-mutagenic
+[N-]=[N+]=Nc1ccc2c(c1)c(Nc1ccc(cc1)NS(=O)(=O)C)c1c(n2)cccc1,mutagenic
+OC(=O)c1cc(/N=N/c2ccc(cc2)S(=O)(=O)Nc2ccccn2)ccc1O,non-mutagenic
+[O-]/[N+](=N\c1ccc(c(c1)N)C)/c1ccc(c(c1)N)C,mutagenic
+CCCCCCCC[C@@H]1O[C@H]1CCCCCCCC(=O)OC[C@@H](CCCC)CC,non-mutagenic
+Nc1ccc2c(c1/N=N/c1ccc(cc1)[N+](=O)[O-])cccc2,mutagenic
+OC(=O)C(CC(=O)O)(CC(=O)O)O.[Na+].[Na+].[Na+],non-mutagenic
+COC(=O)[C@@H]1c2cc3c(c(c2[C@@H](C[C@]1(O)CC)O[C@@H]1O[C@@H](C)[C@@H]([C@H](C1)N(C)C)O)O)C(=O)c1c(C3=O)cccc1O,mutagenic
+C=CC(c1cc2cc3C[C@H](Oc3cc2oc1=O)C(OC(=O)C)(C)C)(C)C,non-mutagenic
+O[C@H]1C=C[C@@H]2[C@@]34[C@H]1Oc1c4c(C[C@H]2N(CC3)C)ccc1O,non-mutagenic
+C[C@H]1CS1,non-mutagenic
+O[C@@H]1CC[C@]2([C@H](C1)CC[C@H]1[C@H]2CC(=O)[C@@]2([C@@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)C,non-mutagenic
+Nc1ccc(c(c1)N)/N=N/c1ccc2c(c1)c(O)c(c(c2)S(=O)(=O)O)/N=N/c1ccc(cc1)Nc1ccc(cc1S(=O)(=O)O)/N=N/c1c(O)c2cc(/N=N/c3ccc(cc3N)N)ccc2cc1S(=O)(=O)O,mutagenic
+O=C([C@]1(C)OC1)Nc1ccccc1,mutagenic
+Oc1ccc2c(c1)CCC1C2CC[C@]2([C@]31CC[C@@]2([C@@H](C3)O)O)C,non-mutagenic
+O[C@@H]1c2ccccc2-c2c([C@H]1O)c1ccccc1cc2,non-mutagenic
+OC(=O)[C@@H](CCl)Cl,non-mutagenic
+COc1c2c(O[C@H]3[C@H]2C=CO3)cc2c1c(=O)c1c(o2)ccc(c1OC)Cl,mutagenic
+CC(NC(=O)/C=C/c1ccc(o1)[N+](=O)[O-])C,mutagenic
+OCCNc1ccc(cc1[N+](=O)[O-])N,mutagenic
+ClCCSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N,mutagenic
+C1CC[C@@H](NC1)CC(C1CCCCC1)C1CCCCC1.OC(=O)/C=C\C(=O)O,non-mutagenic
+C/C=C\c1cc(OC)c(cc1OC)OC,mutagenic
+O[C@@H]1C=Cc2c(C1)cc1c3c2ccc2c3c(cc1)ccc2,mutagenic
+CN(/N=N/c1ccc(cc1)C(=O)O)C.[K+],non-mutagenic
+O=c1n(C[C@H]2CO2)sc2c1ccc(c2)OC[C@H]1CO1,mutagenic
+CSCC[C@@H](C(=O)OCC)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(cc1)F)N)Cc1cccc(c1)N(CCCl)CCCl.Cl,mutagenic
+CN1CCc2c3[C@H]1[C@H](O)c1ccccc1-c3c1c(c2)OCO1,mutagenic
+CC(Cc1ccc(cc1)[C@@H](C(=O)O)C)C,non-mutagenic
+OO[C@]12C=C[C@@H]3[C@@H]([C@@]2(C)CC[C@@H](C1)O)CC[C@]1([C@H]3CC[C@H]1[C@@H](CCCC(C)C)C)C,mutagenic
+OC[C@H]1CCCO1,non-mutagenic
+[O-][N+](=O)c1cc(C(=O)O)c(c2c1C(=O)c1ccccc1C2=O)N,mutagenic
+O=C1CCCC2=C1C(C)(C)[C@@H](C2(C)C)C,non-mutagenic
+OCCOc1cc(O)c2c(c1)oc(c(c2=O)O[C@@H]1O[C@H](CO)[C@@H]([C@@H]([C@H]1O)O)O[C@H]1O[C@@H](C)[C@@H]([C@@H]([C@@H]1O)O)O)c1ccc(c(c1)OCCO)OCCO,non-mutagenic
+Cc1ccccc1/N=N/c1ccc(c(c1N)C)N,mutagenic
+ClCCN(CCCNc1c2ccccc2nc2c1cccc2OC)CC.Cl.Cl,mutagenic
+CCN(c1ccc2c(c1)oc1-c(c2c2ccc(cc2S(=O)(=O)O)S(=O)(=O)O)ccc(=[N+](CC)CC)c1)CC.[Na+],mutagenic
+OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(nc2N)c1ccc(cc1)[N+](=O)[O-],mutagenic
+c1ccc(cc1)/N=N/c1ccccc1,mutagenic
+O[C@@H]1[C@@H](O)[C@@H]2O[C@@H]2c2c1ccc1c2cc2c(n1)ccc1c2cccc1,mutagenic
+CCCC/C=C/C=C/C=C/C=C/C=C/OC[C@@H](CO)O,mutagenic
+CN(c1ccc(cc1)/N=N/c1ccc2c(c1)cccc2)C,mutagenic
+c1cc2cc3ccc4c(c3c3c2c(c1)[C@H]1O[C@@H]31)cccc4,mutagenic
+CCOC(=O)CNC(=O)[C@H](Br)C,mutagenic
+CCCCCCCCOC(=O)C(=C)C,non-mutagenic
+Oc1ccc2c(c1/N=N/c1ccccc1)cccc2,mutagenic
+Cc1cc(ccc1/N=N/c1c(O)ccc2c1cccc2)/N=N/c1ccccc1C,mutagenic
+O[C@@H](COc1cccc2c1OC[C@H](C2)O)CNC(C)C,non-mutagenic
+Nc1ccc2c(c1)[n+](C)c1c(c2)cccc1.Cl,mutagenic
+OC(=O)COc1ccc(cc1Cl)Cl.[Na+],non-mutagenic
+COc1ccccc1/N=N/c1c(O)ccc2c1cccc2,mutagenic
+O=c1[nH]cc(cc1N)c1ccncc1,non-mutagenic
+CC(O[P@@](=O)(F)C)C,non-mutagenic
+CC(CC(C)(C)C)(CC(C)(C)C)S,non-mutagenic
+Cl/C=C(\C(Cl)Cl)/Cl,mutagenic
+Oc1cc(O)c2c(c1)oc(cc2=O)c1ccc(c(c1)O)O,non-mutagenic
+OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c1ncn1c2ncc1,non-mutagenic
+O=NN1CCCC1,mutagenic
+[O-][N+](=O)c1cc(O)c(cc1Cl)N,mutagenic
+C=CCn1cc2c3c1cccc3[C@@H]1[C@@H](C2)N(C#N)C[C@@H](C1)C,mutagenic
+OC(=O)C([C@](C([C@@](C([C@@](C(Cl)(F)F)(Cl)F)(F)F)(Cl)F)(F)F)(Cl)F)(F)F,non-mutagenic
+O[C@@H]1[C@H]2O[C@H]2c2c([C@H]1O)ccc1c2c(C)cc2c1cccc2C,mutagenic
+N[C@H](c1ccccc1)C(=O)N[C@@H]1C(=O)N2[C@H]1SC([C@@H]2C(=O)O)(C)C.O.O.O,non-mutagenic
+CCCCc1ccc(cc1)/N=C/c1ccc(cc1)OC,mutagenic
+O[C@H]1C[C@@H](O)C(=C)/C(=C\C=C\2/CCC[C@]3([C@H]2CC[C@@H]3[C@@H](CC[C@H](C(C)C)O)C)C)/C1,non-mutagenic
+O[Cl](=O)(=O)=O.C[N+]1=CC=C(CC1)c1ccccc1,mutagenic
+OC(=O)O.N,non-mutagenic
+COc1nsc2c1c(ccc2)[N+](=O)[O-],mutagenic
+O=NN(CC(=O)COC(=O)C)C,mutagenic
+CC/C=C/C=C/C=C/C=C/C=C/OC[C@H](O)C,mutagenic
+CCCC[C@H](COC(=O)c1ccc(cc1)C(=O)OC[C@@H](CCCC)CC)CC,non-mutagenic
+CN(CCNC(=O)n1c2ccccc2c(=O)c2c1cccc2)C,mutagenic
+CC(=O)/C=C/c1ccc2c(c1)OCO2,non-mutagenic
+OC[C@H]1O[C@H]([C@@H]([C@H]1O)O)n1cnc2c1ncnc2NC[C@@H](COc1cccc2c1cccc2)O,non-mutagenic
+CC1=CC[C@H](CC1)C(O)(C)C,non-mutagenic
+c1ccc2c(c1)cnc1c2cccc1,mutagenic
+CO[C@@H]1OC1(C)C,mutagenic
+O[C@H](CNC(C)(C)C)COc1ccc(cc1C(=O)C)NC(=O)NC(C)(C)C,non-mutagenic
+C1C/C=C/CC[C@H]2[C@H](CC/C=C/1)O2,non-mutagenic
+C([C@@H]1OC1)Cc1ccccc1,mutagenic
+C/C(=N\O)/CC,mutagenic
+c1ccc2c(c1)c1ccc3c4c1c(c2)[C@H]1O[C@H]1c4ccc3,mutagenic
+[O-][N+](=O)c1ccc2c(c1)cc(c(c2)[N+](=O)[O-])[N+](=O)[O-],mutagenic
+O=C([C@@H]1OC1)NCc1ccccc1,mutagenic
+C/C=C\1/C[C@H](C)[C@](O)(CO)C(=O)OCC2=CC[N@@+]3([C@H]2[C@H](OC1=O)CC3)[O-].O.O,non-mutagenic
+O=NN(C(=O)[C@H](C(C)C)NC(=O)C)CC(=O)O,mutagenic
+C([C@@H]1OC1)C[C@@H]1OC1,mutagenic
+Cc1cc(ccc1/N=N/c1ccccc1)N(C)C,mutagenic
+CCOC(=O)[C@@H](C(=O)C)Cl,non-mutagenic
+OC[C@H]1O[C@@H](O[C@]23CCC4[C@@](C2)(CC3=C)CCC2[C@@]4(C)CCC[C@@]2(C)C(=O)O[C@@H]2O[C@@H](CO)C([C@H](C2O)O)O)[C@@H]([C@H](C1O)O)O[C@@H]1O[C@H](CO)[C@@H]([C@@H]([C@H]1O)O)O,mutagenic
+O[C@@H]1[C@@H]2O[C@@H]2c2c([C@H]1O)ccc1c2cc(C)c2c1cccc2,non-mutagenic
+OC(=O)c1ccccc1O.CNC(=O)Oc1ccc2c(c1)[C@]1(C)CCN([C@@H]1N2C)C,non-mutagenic
+N1[C@@H]2[C@H]1c1cccc3c1-c1c2cccc1[C@H]1[C@@H]3N1,mutagenic
+CNC(=O)ON.Cl,mutagenic
+NC(=O)/N=N/C(=O)N,mutagenic
+ClCCNCCCNc1c2ccc(cc2nc2c1nc(OC)cc2)Cl.Cl.Cl.O,mutagenic
+OC[C@H](CNC(=O)c1c(I)c(N(C(=O)C)C[C@H](CN(c2c(I)c(C(=O)NC[C@@H](CO)O)c(c(c2I)C(=O)NC[C@@H](CO)O)I)C(=O)C)O)c(c(c1I)C(=O)NC[C@@H](CO)O)I)O,non-mutagenic
+OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cc(O)c(nc1=O)N,non-mutagenic
+Cc1ccccc1C.Cc1cccc(c1)C.Cc1ccc(cc1)C,non-mutagenic
+O[C@H](COC(=O)C(=C)C)COc1ccc(cc1)C(c1ccc(cc1)OC[C@@H](COC(=O)C(=C)C)O)(C)C,non-mutagenic
+O=C(N[C@H](C(=O)O)C)COc1ccc(cc1Cl)Cl,non-mutagenic
+C[C@H](C(=O)Nc1ccccc1)Br,mutagenic
+O[C@@H]1COC(=C(C1=O)O)C,mutagenic
+O=[P@@]1(OCc2c(O1)cccc2)Oc1ccccc1,mutagenic
+COC(=O)C1=C(CC)[C@@H](OC1=O)C,mutagenic
+Fc1ccc(cc1)Cn1c(nc2c1cccc2)N1CCC(CC1)N(c1nccc(=O)[nH]1)C,non-mutagenic
+Oc1ccc(cc1)[C@@H]1CC(=O)c2c(O1)cc(cc2O)O,non-mutagenic
+C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@H](c1ccnc2c1cc(OC)cc2)O,non-mutagenic
+Nc1cc(N)c(cc1/N=N/c1ccccc1C)C,mutagenic
+CC[S@@](=O)CCSP(=O)(OC)OC,mutagenic
+c1cc2[C@@H]3O[C@@H]3c3c2c(c1)c1cc2ccccc2cc1c3,mutagenic
+O=C1C(=C(Cl)C(=O)c2c1c(O)ccc2O)Cl,mutagenic
+C1CCC[C@H]2[C@@H](CC1)O2,non-mutagenic
+CNc1ccc(cc1)/N=N/c1ccc(cc1)N(C(=O)C)C,mutagenic
+O=c1oc2c([nH]1)cccc2,non-mutagenic
+Nc1ccc2c(c1/N=N/c1ccccc1)cccc2,non-mutagenic
+CO[P@](=O)(NC(=O)C)SC,non-mutagenic
+CO[C@@H](C1=C(N2CC2)C(=O)C(=C(C1=O)N1CC1)C)COC(=O)N,mutagenic
+[O-][N+](=O)c1ccc2c(c1)[nH]nc2,mutagenic
+CO/N=C(/c1csc(n1)N)\C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)CSC(=O)c1ccco1.[Na+],non-mutagenic
+[N-]=[N+]=C1C=NC(=O)NC1=O,mutagenic
+Cl[C@]12C(Cl)(Cl)[C@@]3([C@@]4([C@]1(Cl)[C@@]1([C@@]2(Cl)[C@@]3([C@]4(C1(Cl)Cl)Cl)Cl)Cl)Cl)Cl,non-mutagenic
+CCCCCCCOc1ccccc1NC(=O)OCCN1CCCCC1.Cl,non-mutagenic
+CCCCSCC[C@@H](C(=O)O)N,non-mutagenic
+COc1cc(ccc1/N=N/c1cc(c2c(c1O)cccc2)S(=O)(=O)O)c1ccc(c(c1)OC)/N=N/c1cc(c2c(c1O)cccc2)S(=O)(=O)O,non-mutagenic
+CC/C=C/C=C/C=C/C=C/C=C/C=C/OC[C@@H](CO)O,mutagenic
+C[C@H](CN(C[C@H](O)C)CCN(C[C@H](O)C)C[C@H](O)C)O,non-mutagenic
+CCN/N=N/CC,mutagenic
+COc1ccc(cc1/N=N/c1c(O)c(cc2c1cccc2)C(=O)Nc1cccc(c1)[N+](=O)[O-])[N+](=O)[O-],mutagenic
+Cc1cccc(c1)/N=N/c1ccc(cc1)N(C)C,mutagenic
+COc1ccc(cc1)/N=[N+](/c1ccc(cc1)OC)\[O-],mutagenic
+O(Cc1ccccc1)C[C@H]1OC1,mutagenic
+ON1C(C)(C)C[C@@H](C1(C)C)C(=O)N,non-mutagenic
+CC/C=C/C=C/C=C/C=C/C=C/OC[C@H](c1ccccc1)O,mutagenic
+Cc1ccc(cc1)S(=O)(=O)OC[C@@H]1OC1,mutagenic
+ClCCNCCCNc1c2ccccc2nc2c1cccc2.Cl.Cl.O,mutagenic
+OC(=O)O.[K+].[K+],non-mutagenic
+OC(=O)C[C@@H](C(=O)O)N.[Na+].[Na+],non-mutagenic
+O[C@@H]1[C@@H](N)C[C@@H](O[C@H]1C)O[C@H]1C[C@@](O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2)C(=O)C,mutagenic
+C=CCC[C@H]1CO1,mutagenic
+Cc1ccc(c(c1)[N+](=O)[O-])/N=N/c1c(O)ccc2c1cccc2,mutagenic
+CC(=O)Oc1ccccc1C(=O)O,non-mutagenic
+CC1(C)[C@H]2CC[C@]3([C@@H]1C2)CO3,non-mutagenic
+ONc1ccc(cc1)/N=N/c1ccccc1,mutagenic
+BrCC(=O)NCc1ccccc1,mutagenic
+Nc1ccc(cc1)/N=N/c1ccccc1,mutagenic
+Oc1ccc(c(c1)O)/N=N/c1ccc(cc1)[N+](=O)[O-],non-mutagenic
+O=C([C@@H]1OC1)Nc1ccccc1,mutagenic
+OC/C=C\[C@]1(O)CC[C@@H]2[C@]1(C)C[C@@H](c1ccc(cc1)N(C)C)C1=C3CCC(=O)C=C3CC[C@@H]21,non-mutagenic
+O1[C@@H]2[C@H]1c1cscc1-c1c2csc1,mutagenic
+OC[C@@H]1O[C@@H](O[C@H]([C@@H](C(=O)N[C@@H]([C@H]([C@@H](C(=O)N[C@H](C(=O)NCCc2scc(n2)c2scc(n2)C(=O)NCCCNCCCNC(=N)C[C@@H]2CC[C@H](CC2)Cl)[C@@H](O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)c2nc[nH]c2)[C@@H]([C@@H]([C@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@@H]1O)OC(=O)N)O,mutagenic
+c1ccc2c(-c3cc4[C@@H]5N[C@@H]5c5c(-c4cc3[C@@H]3[C@H]2N3)cccc5)c1,mutagenic
+O=Nn1cc(c2c1cccc2)C[C@@H](C(=O)O)O,mutagenic
+Cl[C@@H]1[C@]2(Cl)C3C4C5[C@@]1(Cl)C([C@]2(Cl)C5C3C1C4O1)(Cl)Cl,mutagenic
+CCCCN(CCCCO)N=O,mutagenic
+COc1cc2O[C@H]3[C@H](c2c2c1c1CCOC(=O)c1c(=O)o2)CCO3,non-mutagenic
+O=c1cn[nH]c(=O)[nH]1.CCCCCCCC/C=C\CCCCCCCCN,mutagenic
+O[C@@H]([C@H]1CO1)CO,mutagenic
+c1ccc2c(c1)c(CC[C@H]1CO1)ccc2,mutagenic
+ClC(=C[C@H]1[C@@H](C1(C)C)C(=O)OCc1cccc(c1)Oc1ccccc1)Cl,mutagenic
+COC(=O)C1=C(C)NC(=C([C@H]1c1cccc(c1Cl)Cl)C(=O)OC(C)C)COC(=O)N,non-mutagenic
+Nc1ccc(c(c1)Cl)C.Cl,non-mutagenic
+COCN(c1c(CC)cccc1CC)C(=O)CCl,mutagenic
+CN1CCc2c3[C@H]1Cc1ccccc1-c3c1c(c2)OCO1,mutagenic
+O=C/C(=C/c1ccccc1)/C,non-mutagenic
+Oc1cc(O)cc(c1)O.O.O,non-mutagenic
+OO[C@@H]1C=C2C[C@@H](O)CC[C@@]2([C@@H]2[C@@H]1[C@@H]1CC[C@H]([C@@]1(C)CC2)[C@@H](CCCC(C)C)C)C,mutagenic
+COc1ccc(c2c1oc1c3c(O[C@H]4[C@H]3CCO4)cc(c1c2=O)OC)O,non-mutagenic
+OC[C@H]1O[C@@H](O[C@]23C[C@H](C(=O)[C@H]3[C@](C3(C(=C2)C)CC3)(C)O)C)[C@H]([C@H]([C@@H]1O)O)O,mutagenic
+c1ccc(cc1)c1ccccc1OC[C@H]1CO1,mutagenic
+BrCCSC[C@@H](C(=O)OC)NC(=O)C,mutagenic
+Cc1ccc2c3c1CCc3c1c(-c3ccccc3[C@H]3[C@@H]1N3)c2,mutagenic
+Cc1ccc(cc1)N(C)C,mutagenic
+CNC(=O)Oc1ccc(cc1)c1ccccc1,mutagenic
+C[C@@H]1CCC[C@@H](N1CCC[C@](c1ccccn1)(c1ccccc1)O)C.Cl,non-mutagenic
+BrC[C@H](CO[P@@](=O)(OC[C@@H](CBr)Br)O)Br,mutagenic
+O=Nc1ccc2c(c1)cccc2,mutagenic
+c1cc2ccc3c4c2c(c1)ccc4ccc3,mutagenic
+NCC(=O)O.Cl,non-mutagenic
+COc1cc(/N=N/c2ccccc2)ccc1N,mutagenic
+C=CCOc1ccccc1OC[C@@H](CNC(C)C)O,non-mutagenic
+C/C(=N\O)/C(=O)C,non-mutagenic
+c1ccc2c(-c3ccccc3[C@@H]3[C@H]2N3)c1,mutagenic
+COc1cc2c(cc1OC)N1[C@@H]3[C@@]42CCN2[C@H]4C[C@@H]4[C@H]3[C@H](CC1=O)OCC=C4C2,non-mutagenic
+OCc1cc(ccc1O)C(=O)CN(C(C)(C)C)Cc1ccccc1.Cl,mutagenic
+Oc1cc(O)c2c(c1)oc(c(c2=O)O)c1ccc(c(c1)O)O.O.O,mutagenic
+ClCc1cccc(c1)/N=N/c1ccc(cc1)N(C)C,mutagenic
+C[C@H]([C@@H](CCl)Br)Br,mutagenic
+CNCc1ccc(o1)CSCCN/C(=N/S(=O)(=O)C)/NC[C@@H](c1ccc(cc1)O)O,non-mutagenic
+COC[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C,mutagenic
+CC(=O)N[C@H](C(=O)O)CSCCCl,mutagenic
+CC([C@@H]1CC[C@@]2(CC1)OC2)(C)C,non-mutagenic
+CC(=O)/C=C/C1=C(C)CCCC1(C)C,non-mutagenic
+Cc1ccc(cc1C)S(=O)(=O)O.[Na+],non-mutagenic
+CCc1cccc2c1oc(c2)[C@@H](CNC(C)(C)C)O.Cl,non-mutagenic
+c1ccc2-c3cc4ccc5c(c4cc3[C@@H]3[C@H](c2c1)N3)cccc5,mutagenic
+CCc1cc(N)cc(c1Cc1c(C)cc(cc1CC)N)C,non-mutagenic
+CC(=O)CC(=O)C,non-mutagenic
+[CH-]1N=c2c(=C([N+]1=O)N)ncn2C,mutagenic
+C/C=C(\C=O)/Cl,mutagenic
+NC(=N)NC(=O)c1nc(Cl)c(nc1N)N.Cl,mutagenic
+O=C1CN(CCCN2CC(=O)NC(=O)C2)CC(=O)N1,non-mutagenic
+CC(c1ccc(c2-c(c1)c(C)cc2S(=O)(=O)O)C)C.[Na+],non-mutagenic
+ClC[C@@]12[C@H](Cl)[C@H]([C@H](C2(CCl)CCl)CC1(Cl)Cl)Cl,non-mutagenic
+OC(=O)COc1ccc(cc1Cl)Cl.CC(N)C,non-mutagenic
+C=C[C@@H]1CN2CC[C@H]1C[C@H]2[C@@H](c1ccnc2c1cc(OC)cc2)O.Br,non-mutagenic
+O[C@H]1[C@H]2O[C@H]2c2c([C@@H]1O)ccc1c2cc2ccccc2c1C,mutagenic
+Nc1cc(N)c(cc1/N=N/c1ccc(cc1)c1ccc(cc1)/N=N/c1ccc(c(c1)C(=O)O)O)/N=N/c1ccc(cc1)S(=O)(=O)O,mutagenic
+COc1ccc2c(c1)[nH]c1c2CCN=C1C.Cl.O.O,non-mutagenic
+Nc1ccc(cc1)Cc1ccc(cc1)N.Cl.Cl,mutagenic
+OC(=O)[C@H](CS/C(=C(/C(=C(Cl)Cl)Cl)\Cl)/Cl)N,mutagenic
+[N-]=[N+]=Nc1ccc2c(c1)nc1c(c2Nc2ccc(cc2OC)NS(=O)(=O)C)cccc1C,mutagenic
+Br[C@H](C(C)(C)C)C(=O)Nc1ccccc1,non-mutagenic
+ClCCN(CCCNc1c2ccccc2nc2c1cccc2)CC.Cl.Cl,mutagenic
+CN(c1cc/c(=N\N)/[nH]n1)C[C@H](O)C,mutagenic
+CC[C@]1(OCCc2c1[nH]c1c2cccc1CC)CC(=O)O,non-mutagenic
+C[C@H](CO)Cl,mutagenic
+Cc1ccc(cc1N)/N=N/c1ccc(c(c1)N)C,mutagenic
+CCC(=O)O[C@@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H](O)[C@H]1[C@H]2[C@@H](Cl)CC2=CC(=O)C=C[C@]12C)C(=O)COC(=O)CC,non-mutagenic
+O[C@@H]1C=Cc2c([C@H]1O)cc(c1c2cc2ccccc2c1)C,mutagenic
+OC(=O)[C@H](c1cccc(c1)C(=O)c1ccccc1)C,non-mutagenic
+O=C([C@@H](c1ccccc1)N)N[C@@H]1C(=O)N2[C@H]1SC([C@@H]2C(=O)OCc1oc(=O)oc1C)(C)C.Cl,non-mutagenic
+O1C[C@@H]1Cc1ccccc1,mutagenic
+C[n+]1c2ccccc2c(c2c1cccc2)N.Cl,mutagenic
+CCCCCN1[C@@H]2[C@H]1c1ccccc1-c1c2cccc1,mutagenic
+CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1,non-mutagenic
+O=CC1=CC[C@H](CC1)C(=C)C,non-mutagenic
+O[Cl](=O)(=O)=O.N=c1ccc2-c(c1)oc1c(n2)c2ccccc2c(c1)N,mutagenic
+C[C@@]1(CO1)C=C,non-mutagenic
+[N-]=[N+]=NCc1ccccc1,mutagenic
+CC1=C[C@@H](O)[C@@H]2C[C@H]1C2(C)C,non-mutagenic
+CCOP(=O)(OCC)OCC,non-mutagenic
+C[C@H](C(=O)O)Oc1cc(Cl)c(cc1Cl)Cl,non-mutagenic
+[N-]=[N+]=Nc1ccc2c(c1)nc1c(c2Nc2ccc(cc2OC)NS(=O)(=O)C)cccc1,mutagenic
+O[C@@H]1[C@@H](O)[C@@H](O[C@@H]1n1ccc(=N)[nH]c1=O)COP(=O)(O)O,non-mutagenic
+O=CC1=C[C@@]2(O)CC(C[C@H]2[C@]2([C@]1(C=O)C2)C)(C)C,mutagenic
+C/C=C\1/CC(=C)[C@](O)(CO)C(=O)OCC2=CCN3[C@H]2[C@H](OC1=O)CC3,mutagenic
+CC(=O)O[C@@H]1C(=O)O[C@H]2[C@H]1OC(=O)[C@@H]2OC(=O)C,non-mutagenic
+CC(=O)N/N=C/c1c[n+]([O-])c2c([n+]1[O-])cccc2,mutagenic
+OC(=O)CN(CC(=O)O)CCN(CC(=O)O)CC(=O)O.[Na+].[Na+].[Na+].[Na+],non-mutagenic
+O=C1NC(=O)[C@](N1)(c1ccc(cc1)O)c1ccccc1,non-mutagenic
+BrC[C@H]([C@H](O[P@](=O)(O[C@@H]([C@@H](CBr)Br)C)O[C@@H]([C@@H](CBr)Br)C)C)Br,mutagenic
+Nc1ccc2c(c1)cc1c(c2)cccc1,mutagenic
+Br/C=C(\c1ccc(cc1Cl)Cl)/OP(=O)(OC)OC,non-mutagenic
+COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(c(c2)OC)O)ccc1O,non-mutagenic
+OCCN1CN(CCO)CN(C1)CCO,mutagenic
+O=c1c2ccccc2[nH]c2c1cccc2,non-mutagenic
+ClCC=CCCl,mutagenic
+[O-][N+](=O)c1ccc2c(c1)ccc1c2ccc(c1)[N+](=O)[O-],mutagenic
+CCC(c1cc(N2Nc3c(N2)cccc3)c(c(c1)C(CC)(C)C)O)(C)C,non-mutagenic
+C[C@]1(OC1)c1ccc(cc1)c1ccccc1,mutagenic
+O[C@@H]1C[C@@]23[C@](C1)(O3)C=CC=C2,non-mutagenic
+COc1ccccc1C[C@H]1CO1,mutagenic
+ClCC(=O)O[C@H](P(=O)(OC)OC)C(Cl)(Cl)Cl,non-mutagenic
+Oc1ccc2c(c1/N=N/c1ccc(cc1)/N=N/c1ccccc1)cccc2,mutagenic
+O=c1ccc2c([nH]1)ccc1c2nc(n1C)N,mutagenic
+ClCCN([P@](=O)(O)N)CCCl,mutagenic
+OC(=O)[C@H](c1ccc2c(c1)[nH]c1c2cc(cc1)Cl)C,non-mutagenic
+c1ccc2c(c1)c1ccccc1cc2,mutagenic
+CC(c1cc(ccc1OP1OC[C@]2(CO1)COP(OC2)Oc1ccc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C)(C)C,non-mutagenic
+CCOCn1c(=O)n(cc(c1=O)F)C(=O)c1cccc(c1)C(=O)Oc1nc(ccc1C#N)OC(=O)c1ccccc1,non-mutagenic
+C1CC[C@@]2(CO1)CO2,mutagenic
+[O-]/[N+](=N\c1ccccc1)/c1ccccc1,mutagenic
+Nc1ncc2c(n1)nc[nH]2,non-mutagenic
+Cn1cnc(c1Sc1ncnc2c1nc[nH]2)[N+](=O)[O-],mutagenic
+[O-]/[N+](=N\c1ccc(c(c1)Cl)Cl)/c1ccc(c(c1)Cl)Cl,non-mutagenic
+OC(=O)/C=C\C(=O)O.CCC(=O)N([C@@H]1CCC[C@H]1N(C)C)c1ccc(c(c1)Cl)Cl,non-mutagenic
+NC(=O)O[C@H]1CO1,mutagenic
+O/N=c\1/[nH]c2c(n1C)ccc1c2nc(C)cn1,mutagenic
+COC(=O)N/N=C/c1c[n+]([O-])c2c([n+]1[O-])cccc2,mutagenic
+OS(=O)(=O)O.NNc1nnc(c2c1cccc2)NN,mutagenic
+CC/[N+](=C/1\C=C/C(=C(\c2ccc(cc2)N(Cc2cccc(c2)S(=O)(=O)O)CC)/c2ccc(cc2)N(C)C)/C=C1)/Cc1cccc(c1)S(=O)(=O)O.[Na+],mutagenic
+OC(CN=[N+]=[N-])CN=[N+]=[N-],mutagenic
+Oc1cc2O[C@H]3[C@H](c2c2c1c(=O)c1c(o2)cccc1O)CCO3,non-mutagenic
+CN(/N=N/c1ccc(cc1)Cl)C,mutagenic
+Clc1nnc(c2c1cccc2)Cl,non-mutagenic
+Cc1c2ccc3c(c2c(c2c1cccc2)C)cccc3,mutagenic
+CCn1cc(C(=O)O)c(=O)c2c1cc(N1CCNCC1)c(c2)F,mutagenic
+CS(=O)(=O)OCCCNCCCOS(=O)(=O)C.Cc1ccc(cc1)S(=O)(=O)O,mutagenic
+O=CC1=C[C@@]2([C@]([C@H]1C=O)(C)[C@H](OC(=O)C)C[C@H]1[C@@]2(C)CC[C@@H]2[C@]1(C)CCCC2(C)C)O,non-mutagenic
+Brc1c(Oc2ccccc2)c(Br)c(c(c1Br)Br)Br,non-mutagenic
+C[n+]1c2ccccc2cc2c1cccc2.Cl,mutagenic
+COc1c(O)cc2c3c1-c1ccccc1C[C@H]3N(CC2)C,mutagenic
+OC1=CC(=O)C1=O,non-mutagenic
+[O-][N+](=O)c1cc(ccc1Nc1ccc(c(c1)S(=O)(=O)O)Nc1ccccc1)[N+](=O)[O-].[Na+],mutagenic
+O=Cc1ccc(cc1)/N=N/c1ccc(cc1)N(C)C,mutagenic
+C[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C1CCCC1,mutagenic
+OC(=O)CC[C@@H](C(=O)O)N.[K+],non-mutagenic
+CC(=O)Nc1ccc(cc1)/N=N/c1cc(C)ccc1O,mutagenic
+OCc1ccccc1/N=N/c1ccc(cc1)N(C)C,mutagenic
+CNC[C@@H](c1ccc(c(c1)O)O)O,non-mutagenic
+O[C@@H]1C=Cc2c([C@H]1O)cc1c(c2)c2ccccc2cc1C,mutagenic
+OC(=O)[C@@H]1NCc2c(C1)c1ccccc1[nH]2,non-mutagenic
+COc1cc(/N=N/c2ccc(cc2)N)c(cc1/N=N/c1c(O)c2cc(N)ccc2cc1S(=O)(=O)O)C.[Na+],mutagenic
+CSCC[C@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CSSC[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC1=O)CC(=O)O)CCCNC(=N)N)[C@H](CC)C)C)CCC(=O)N)CO)CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)Cc1ccc(cc1)O)CCCNC(=N)N)Cc1ccccc1)CO)CC(=O)N)NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CO)N)CC(C)C)CCCNC(=N)N)CCCNC(=N)N)CO)CO,non-mutagenic
+COc1cc(O)c2c(c1OC)oc1c(c2=O)c(OC)cc2c1[C@@H]1CCO[C@H]1O2,non-mutagenic
+CCN1CCN(C(=O)C1=O)C(=O)N[C@@H](C(=O)N[C@@H]1C(=O)N2[C@H]1SC([C@@H]2C(=O)O)(C)C)c1ccccc1,non-mutagenic
+Cc1cc(ccc1/N=N/c1c(O)c2c(O)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O)c1ccc(c(c1)C)/N=N/c1c(O)c2c(O)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O,non-mutagenic
+Cc1ccc(cc1)OP(=O)(Oc1cccc(c1)C)Oc1cccc(c1)C,non-mutagenic
+O=C1C=C(O)C(=O)c2c1cccc2,mutagenic
+Clc1ccc(c(c1)Nc1ccccc1C(=O)O)C(=O)O.[Na+].[Na+],non-mutagenic
+CCCCCCCCCCCC(=O)OCCS(=O)(=O)O.[Na+],non-mutagenic
+C[C@@H](C(C)(C)C)O[P@@](=O)(Cl)C,non-mutagenic
+OC(=O)/C=C\C(=O)O.COc1ccc(cc1)CN(c1ccccn1)CCN(C)C,non-mutagenic
+Oc1ccc(cc1)/C=N/n1nnc2c(c1=O)[nH]c1c2cccc1,mutagenic
+CC(=O)[C@@H]1C(=O)C=C2[C@](C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O,non-mutagenic
+O=C1C(=O)[C@]2(C([C@@H]1CC2)(C)C)C,non-mutagenic
+CCC/C=C/C(=O)O[C@@H]1C(C)(C)C[C@@H]2[C@]1(O)C=C(C=O)[C@@]13[C@@]2(C1)C(=O)O[C@@H]3O,mutagenic
+C/C=C/c1ccc(c(c1)OC)O,non-mutagenic
+CC(C[C@@H](C(=O)O)NC(=O)COc1ccc(cc1Cl)Cl)C,non-mutagenic
+Cc1c2[C@H]3O[C@H]3c3c(-c2c(c2c1cccc2)C)cccc3,mutagenic
+C[N+](Cc1ccccc1)(C)C.Cl,non-mutagenic
+CN(/N=N/c1ccc(cc1)Br)C,mutagenic
+[O-][N+](=O)c1ccc(o1)/C(=N\O)/N,mutagenic
+[O-][N+](=O)c1ccc(cc1)/N=N/c1c(N)c2c(cc1S(=O)(=O)O)cc(c(c2O)/N=N/c1ccccc1)S(=O)(=O)O,mutagenic
+Oc1ccc2c(c1/N=N/c1ccccc1)ccc(c2)S(=O)(=O)O,non-mutagenic
+Oc1ccc2c(c1/N=N/c1ccccc1)c(cc(c2)S(=O)(=O)O)S(=O)(=O)O,non-mutagenic
+Nc1ccc(c(c1)N)/N=N/c1ccc(cc1)c1ccc(cc1)/N=N/c1c(N)c2c(cc1S(=O)(=O)O)cc(c(c2O)/N=N/c1ccccc1)S(=O)(=O)O,mutagenic
+C[C@@H]1CC[C@H]([C@@H](C1)O)C(C)C,non-mutagenic
+Nc1ccc2c(c1)c(O)c(c(c2)S(=O)(=O)O)/N=N/c1ccc(cc1)c1ccc(cc1)/N=N/c1c(O)c2c(N)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O,mutagenic
+Nc1ccc2c(c1)c(O)c(c(c2)S(=O)(=O)O)/N=N/c1ccc(cc1)c1ccc(cc1)/N=N/c1ccc(c(c1)C(=O)O)O,mutagenic
+Nc1ccc2c(c1/N=N/c1ccc(cc1)c1ccc(cc1)/N=N/c1c(N)ccc3c1c(O)cc(c3)S(=O)(=O)O)c(O)cc(c2)S(=O)(=O)O,mutagenic
+COc1cc(ccc1/N=N/c1ccc2c(c1O)c(N)c(cc2S(=O)(=O)O)S(=O)(=O)O)c1ccc(c(c1)OC)/N=N/c1ccc2c(c1O)c(N)c(cc2S(=O)(=O)O)S(=O)(=O)O,mutagenic
+O=C(c1ccccc1)Nc1ccc2c(c1)cc(c(c2O)/N=N/c1ccc(cc1)/N=N/c1ccc(cc1)S(=O)(=O)O)S(=O)(=O)O,non-mutagenic
+Oc1ccc2c(c1/N=N/c1ccc(c3c1cccc3)S(=O)(=O)O)c(cc(c2)S(=O)(=O)O)S(=O)(=O)O,non-mutagenic
+CN(c1ccc(cc1)/C(=C\1/C=CC(=[N+](C)C)C=C1)/c1c2ccc(cc2cc(c1O)S(=O)(=O)O)S(=O)(=O)O)C,non-mutagenic
+Cc1cc(ccc1/N=N/c1ccc2c(c1O)c(N)c(cc2S(=O)(=O)O)S(=O)(=O)O)c1ccc(c(c1)C)/N=N/c1ccc2c(c1O)c(N)c(cc2S(=O)(=O)O)S(=O)(=O)O,mutagenic
+Nc1cc(cc2c1c(O)c(c(c2)S(=O)(=O)O)/N=N/c1ccccc1)S(=O)(=O)O,non-mutagenic
+Cc1ccc(c(c1)C)/N=N/c1c2ccc(cc2cc(c1O)S(=O)(=O)O)S(=O)(=O)O,mutagenic
+Cl/C=C/C[N@+]12CN3CN(C2)CN(C1)C3,mutagenic
+ClCCN(CCCl)CCC[C@H](Nc1c2cc(OC)ccc2nc2c1ccc(c2)Cl)C,mutagenic
+Oc1ccc(cc1)/N=N/c1ccc(cc1)c1ccc(cc1)/N=N/c1c(O)c2c(cc1S(=O)(=O)O)cc(c(c2N)/N=N/c1ccc(cc1)[N+](=O)[O-])S(=O)(=O)O,mutagenic
+ClCCCN(C)C,mutagenic
+Nc1c(/N=N/c2ccc(cc2)c2ccc(cc2)/N=N/c2cc(c3c(c2N)cccc3)S(=O)(=O)O)cc(c2c1cccc2)S(=O)(=O)O,mutagenic
+C[C@@H](CCC[C@]1(C)CCc2c(O1)c(C)c(c(c2C)O)C)CCC[C@@H](CCCC(C)C)C,non-mutagenic
+N=C1C=C/C(=C(/c2ccc(c(c2)C)N)\c2ccc(cc2)N)/C=C1,mutagenic
+Oc1ccc2c(c1/N=N/c1ccc(cc1)S(=O)(=O)O)cccc2,non-mutagenic
+Cc1cc(ccc1/N=N/c1c(O)c2c(N)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O)c1ccc(c(c1)C)/N=N/c1c(O)c2c(N)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O,mutagenic
+[N-]=[N+]=CC(=O)OC[C@@H](C(=O)O)N,mutagenic
+O=c1[nH]ncc2c1cccc2,non-mutagenic
+CC(CCC[C@H]([C@@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C[C@H]2[C@@]3([C@]1(C)CC[C@@H](C3)O)O2)C)C,mutagenic
+C/C=C\1/C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CCN3[C@H]2[C@@H](OC1=O)CC3,non-mutagenic
+Nc1[nH]c(=O)c2c(n1)[nH]nn2,non-mutagenic
+CCCCCCCCCCCCCCCC(=O)OC[C@@H]([C@@H]1OC(=O)C(=C1O)O)O,non-mutagenic
+ClCCN(c1ccc(cc1)C[C@@H](C(=O)O)N)CCCl,mutagenic
+OC[C@H]([C@H](CO)O)O,non-mutagenic
+CC1(C)[C@@H]2C[C@H]3[C@]([C@H]1C2)(C)O3,non-mutagenic
+C/C(=C/1\C(=O)[C@H]2N(C1=O)C([C@H]1[C@@H]2c2c[nH]c3c2c(C1)ccc3)(C)C)/O,non-mutagenic
+CN(C(=O)N[C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)C=O)N=O,mutagenic
+CC(CC(=O)O[C@H]1C[C@@]2(OC(=O)C)[C@@H](C=C1C)O[C@@H]1[C@]3([C@@]2(C)[C@H](OC(=O)C)[C@H]1O)OC3)C,non-mutagenic
+CCCCCC[C@@H]([C@H]1C2=C(C[C@@H](CC3=C([C@H]1O)C(=O)OC3=O)[C@H]([C@@H]1CC=CC(=O)O1)O)C(=O)OC2=O)O,non-mutagenic
+CC(=O)OC[C@@]12CCC(=C[C@H]1O[C@@H]1[C@@]3([C@@]2(C)[C@@H](OC(=O)C)[C@@H]1O)CO3)C,non-mutagenic
+OC[C@@]12[C@H](C=C(C(=O)[C@@H]1O)C)O[C@@H]1[C@@]3([C@@]2(C)[C@H](O)[C@H]1O)OC3,non-mutagenic
+ClC[C@@H]1[C@H](CCl)[C@@]2(C([C@@]1(Cl)C(=C2Cl)Cl)(Cl)Cl)Cl,non-mutagenic
+Clc1ccc2c(c1)C(=NC=C1N2C=NN1)c1ccccc1,non-mutagenic
+C=C[C@@H]1C[C@@H]2C[C@H]1C=C2,non-mutagenic
+O=C(O[C@@H]1C[C@@](O)(C[C@H]([C@H]1O)O)C(=O)O)/C=C/c1ccc(c(c1)O)O,non-mutagenic
+Brc1cccc2c1cc1ccc3c(c1c2)cccc3,mutagenic
+COc1cc(cc(c1O)OC)[C@@H]1[C@H]2C(=O)OC[C@@H]2[C@@H](c2c1cc1OCOc1c2)O[C@@H]1O[C@@H]2CO[C@H](O[C@H]2[C@@H]([C@H]1O)O)C,non-mutagenic
+OC[C@]12O[C@@H]1[C@H]1[C@@H]3O[C@]4(O[C@]1([C@H]1[C@@]([C@@H]2O)(O)C(=O)C(=C1)C)[C@@H]([C@H]([C@@]3(O4)C(=C)C)OC(=O)/C=C/C=C/c1ccccc1)C)c1ccccc1,non-mutagenic
+OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1c(O)nc2c1nc(N)[nH]c2=O,non-mutagenic
+OC[C@@]1(O)CC[C@]23C[C@H]1C[C@@H]2CC[C@@H]1[C@]3(C)CC[C@H]([C@@]1(C)CO)O,non-mutagenic
+CC(=O)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@@H]2C=C(C2=CC(=O)[C@H]3[C@@H]([C@]12C)C3)Cl)C(=O)C,non-mutagenic
+CN(/N=N/c1[nH]cnc1C(=O)N)C,mutagenic
+C[C@@H](CCC[C@]1(C)CCc2c(O1)c(C)c(c(c2C)OC(=O)CCC(=O)O)C)CCC[C@@H](CCCC(C)C)C,non-mutagenic
+O=c1cn[nH]c(=O)[nH]1,mutagenic
+OC(=O)[C@]1(C)CCC[C@@]2([C@H]1CC[C@@]13[C@@H]2CC[C@](C3)(C(=C)C1)O)C,non-mutagenic
+CN[C@H]1CCc2c(-c3c1cc(=O)c(cc3)OC)c(OC)c(c(c2)OC)OC,non-mutagenic
+BrC[C@H]([C@H]([C@@H]([C@@H](CBr)O)O)O)O,mutagenic
+Oc1ccc2c(c1)CC[C@@H]1[C@H]2CC[C@]2([C@H]1C[C@H]([C@@H]2O)O)C,non-mutagenic
+Sc1ncnc2c1[nH]cn2,mutagenic
+OC[C@H]1O[C@H](C[C@H]1O)n1cc(C)c(=O)[nH]c1=O,non-mutagenic
+Fc1c[nH]c(=O)[nH]c1=O,non-mutagenic
+C[C@@H]1CC[C@@]2(OC1)O[C@H]1[C@H]([C@@H]2C)[C@@]2([C@@H](C1)[C@@H]1CC=C3[C@]([C@H]1CC2)(C)CC[C@@H](C3)O)C,non-mutagenic
+OC[C@]12[C@@H](C=C(C(=O)[C@@H]1O)C)O[C@@H]1[C@]3([C@@]2(C)C[C@@H]1O)CO3,non-mutagenic
+COc1cc(cc(c1OC)OC)[C@@H]1[C@H]2C(=O)OC[C@@H]2[C@H](c2c1cc1OCOc1c2)O,non-mutagenic
+COc1ccc(cc1O)[C@@H]1CC(=O)c2c(O1)cc(cc2O)O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@@H]([C@H]([C@H]2O)O)O)[C@@H]([C@@H]([C@@H]1O)O)O,non-mutagenic
+Nc1cccc2c1c(=O)[nH][nH]c2=O,non-mutagenic
+O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3CCC2=O)C)C1)C,non-mutagenic
+OC[C@H]1O[C@H](C[C@@H]1O)n1cc(I)c(=O)[nH]c1=O,non-mutagenic
+O=C1C[C@]2([C@@H]([C@H]1C)C2)C(C)C,non-mutagenic
+OC(=O)[C@](Cc1ccc(c(c1)O)O)(N)C,non-mutagenic
+Cc1cc(=O)[nH]c(=S)[nH]1,non-mutagenic
+C#C[C@]1(O)CC[C@H]2[C@]1(C)CC[C@H]1[C@H]2CCc2c1ccc(c2)O,non-mutagenic
+OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N,non-mutagenic
+OC(=O)CCCC[C@@H]1SC[C@H]2[C@H]1NC(=O)N2,non-mutagenic
+Clc1cc2N=CNS(=O)(=O)c2cc1S(=O)(=O)N,non-mutagenic
+OC[C@H]1O[C@H](C[C@H]1O)n1cc(Br)c(=O)[nH]c1=O,non-mutagenic
+OC(=O)CC[C@@H](C(=O)O)NC(=O)c1ccc(cc1)NCc1cnc2c(n1)c(=O)nc([nH]2)N,non-mutagenic
+OC(=O)[C@H](Cc1ccc(c(c1)O)O)N,mutagenic
+Cc1c[nH]c(=S)[nH]c1=O,non-mutagenic
+C/C=C/C(=O)O[C@H]1C[C@H]2[C@]3([C@]1(C)[C@@]1(C)CC(=O)C(=C[C@@H]1O2)C)CO3,non-mutagenic
+CC(CCC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CCC/C/2=C\C=C/1\C[C@@H](O)CCC1=C)C)C,non-mutagenic
+N[C@@H](C(=O)O)Cc1ccccc1,non-mutagenic
+C#C[C@@]1(O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@H]12,non-mutagenic
+[O-][n+]1c[nH]c2-c(c1N)ncn2,mutagenic
+CO[C@H]([C@H]1Cc2cc3cc(O[C@H]4C[C@H](O[C@H]5C[C@H](O)[C@H]([C@@H](O5)C)OC)[C@@H]([C@@H](O4)C)OC(=O)C)c(c(c3c(c2C(=O)[C@H]1O[C@H]1C[C@H](O[C@@H]2C[C@H](O[C@@H]3O[C@@H](C)[C@H]([C@@](C3)(C)O)OC(=O)C)[C@@H]([C@@H](O2)C)O)[C@@H]([C@@H](O1)C)O)O)O)C)C(=O)[C@@H]([C@@H](O)C)O,non-mutagenic
+O=C1CC[C@]2(C(=C1)[C@@H](C)C[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@]2(OC(=O)C)C(=O)C)C)C,non-mutagenic
+OC[C@@H]1C[C@H]([C@@H](O1)n1cnc2c1ncnc2N)O,mutagenic
+O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@@H]3C[C@@H]3[C@@H]2[C@H](C)[C@@H]2N3C[C@H](CC2)C)C)C1)C,non-mutagenic
+O[C@@H]1CC[C@]2([C@@H](C1)C[C@H]([C@@H]1[C@@H]2C[C@H](O)[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)O)C,non-mutagenic
+C/C/1=C\CCC(=C)C2C(CC1)C(C2)(C)C,non-mutagenic
+OC[C@H]([C@H]1OC(=O)C(=C1O)O)O,non-mutagenic
+Cc1n[nH]c(=O)[nH]c1=O,non-mutagenic
+OC[C@H]1O[C@H](C[C@H]1O)n1ccc(=O)[nH]c1=O,non-mutagenic
+OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c1ncnc2N,non-mutagenic
+OC(=O)[C@H](O)C.CCOc1ccc2c(c1)c(N)c1c(n2)cc(cc1)N,mutagenic
+CN1C[C@@H](c2ccccc2)c2c(C1)c(N)ccc2.OC(=O)/C=C\C(=O)O,non-mutagenic
+OC(=O)CCC(=O)O.CN(CCO[C@](c1ccccn1)(c1ccccc1)C)C,non-mutagenic
+OS(=O)(=O)O.Nc1ccc(c(c1)C)N,mutagenic
+C[n+]1cccc(c1)OC(=O)N(C)C.Br,non-mutagenic
+CC[n+]1c2ccccc2nc2c1cccc2.CCOS(=O)(=O)O,mutagenic
+CC[C@@H](NCCN[C@@H](CO)CC)CO.Cl.Cl,non-mutagenic
+O[C@@H]1C2=C(C)C3([C@@](C(=O)C2=CC1(C)C)(C)O)CC3,mutagenic
+OC[C@]1(C)C=C2C(=C(C)C3([C@@](C2=O)(C)O)CC3)[C@H]1O,mutagenic
+Oc1ccc2c(c1N)cccc2.Cl,non-mutagenic
+CN1CC[C@H](C1)CN1c2ccccc2Sc2c1cccc2.Cl,non-mutagenic
+CCCCCC(=O)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@H]12)C(=O)C,non-mutagenic
+OC1=NS(=O)(=O)c2c1cccc2.[Na+],non-mutagenic
+[O-][N+](=O)N(C(=N)NN=O)CCC,mutagenic
+CN(CC[C@H](c1ccccn1)c1ccccc1)C.OC(=O)/C=C\C(=O)O,non-mutagenic
+Oc1cc2ccc(cc2cc1S(=O)(=O)O)S(=O)(=O)O.[Na+].[Na+],non-mutagenic
+O=c1ccc2c(o1)cc1c(c2)C[C@@H](O1)C(O)(C)C,mutagenic
+OC(=O)CN(CC(=O)O)CCN(CC(=O)O)CC(=O)O.[Na+].[Na+],non-mutagenic
+NC(=N)c1ccc(cc1)OCCCCCOc1ccc(cc1)C(=N)N.OCCS(=O)(=O)O.OCCS(=O)(=O)O,non-mutagenic
+Nc1ccccc1.Cl,non-mutagenic
+OC(=O)CC[C@@H](C(=O)O)N.[Na+],non-mutagenic
+OS(=O)(=O)O.COc1cc2N(C)[C@H]3[C@@]4(c2cc1[C@]1(C[C@H]2CN(CCc5c1[nH]c1c5cccc1)C[C@](C2)(O)CC)C(=O)OC)CCN1[C@H]4[C@@]([C@H]([C@]3(O)C(=O)OC)OC(=O)C)(CC)C=CC1,non-mutagenic
+OC(=O)O.[Na+],non-mutagenic
+N/N=c/1\sc2c(n1C)cccc2.Cl,mutagenic
+COc1c2N(C)[C@@H]3[C@](c2cc(c1OC)Cl)(O)[C@H]([C@@]12N3C(=O)[C@@](C)(SS1)N(C2=O)C)O,non-mutagenic
+OC[C@H](C(=O)NNCc1ccc(c(c1O)O)O)N.Cl,mutagenic
+CCCCCCCCCCCCOS(=O)(=O)O.[Na+],non-mutagenic
+OC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl.[Na+],non-mutagenic
+N1[C@H]([C@H]1c1ccccc1)c1ccccc1,mutagenic
+OC(=O)c1ccccc1c1c2cc(Br)c(c(c2oc2-c1cc(Br)c(=O)c2Br)Br)O.[Na+].[Na+],mutagenic
+OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1[nH]c(=O)nc2N.O,non-mutagenic
+COc1cc(C[C@@H]2NCCc3c2cc(O)c(c3)O)cc(c1OC)OC.Cl,non-mutagenic
+OC(=O)C1=NN(C(=O)[C@H]1/N=N/c1ccc(cc1)S(=O)(=O)O)c1ccc(cc1)S(=O)(=O)O.[Na+].[Na+].[Na+],non-mutagenic
+CSCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)Cc1ccccc1)CC(=O)O)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)OCc1ccccc1,non-mutagenic
+COc1cc(ccc1N)c1ccc(c(c1)OC)N.Cl.Cl,mutagenic
+CN([C@H]1C(=C(C(=O)N)C(=O)[C@]2([C@H]1[C@H](O)[C@H]1C(=C2O)C(=O)c2c([C@]1(C)O)cccc2O)O)O)C.Cl,non-mutagenic
+OS(=O)(=O)O.O=CN1c2cc(OC)c(cc2[C@]23[C@H]1[C@@](O)(C(=O)OC)[C@H](OC(=O)C)[C@]1([C@@H]3N(CC2)CC=C1)CC)[C@]1(C[C@H]2CN(CCc3c1[nH]c1c3cccc1)C[C@](C2)(O)CC)C(=O)OC,non-mutagenic
+COc1cccc2c1C(=O)c1c(C2=O)c(O)c2c(c1O)[C@@H](O[C@H]1C[C@H](N)[C@H]([C@@H](O1)C)O)C[C@](C2)(O)C(=O)C,mutagenic
+CCNc1nc(NC(C)C)[nH]c(=O)n1,non-mutagenic
+O[C@@H]1[C@@H]2C[C@@]34[C@@H]5[C@H]1[C@@]1(C(=C2O)C(=O)c2c(C1=O)c(O)c(cc2O)C)C[C@@H]([C@H]5O)C(=C3C(=O)c1c(C4=O)c(O)c(cc1O)C)O,non-mutagenic
+ON1CN(Cl)CN(C1)Cl.[K+],non-mutagenic
+Cc1cc(ccc1N)/N=N/c1ccccc1C.Cl,mutagenic
+C[N+]1(C)CCOCC1.Cl,non-mutagenic
+Cc1cc(O)c2c(c1)C(=O)[C@]13C(=C(O)[C@H]4[C@H]([C@@H]3[C@H]3[C@@H]([C@@H]1C(=C1[C@@]43C(=O)c3c(C1=O)c(O)cc(c3)C)O)O)O)C2=O,non-mutagenic
+COc1cccc2c1C(=O)c1c(C2=O)c(O)c2c(c1O)[C@@H](O[C@H]1C[C@H](N)[C@H]([C@@H](O1)C)O)C[C@](C2)(O)C(=O)C.Cl,mutagenic
+OC(=O)[C@H](CSc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])N,mutagenic
+Clc1ccc(cc1)CO[C@@H](c1ccc(cc1Cl)Cl)Cn1cncc1.[O-][N+](=O)O,non-mutagenic
+C=Cc1cccc(c1)C.C=Cc1ccc(cc1)C,non-mutagenic
+OCC(=O)[C@@]1(O)C[C@H](O[C@H]2C[C@H](N)[C@H]([C@@H](O2)C)O)c2c(C1)c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2OC.Cl,mutagenic
+On1nnc2c1cccc2.O,non-mutagenic
+ClCCN(P1(=O)OCC(=O)CO1)CCCl,mutagenic
+CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2.OC(=O)CCC(=O)O,non-mutagenic
+Clc1ccc2c(c1)C(=NCCN2C)c1ccccc1.Cl,non-mutagenic
+OC(=O)CC[C@H]([C@H]1CC[C@@H]2[C@]1(C)C(=O)C[C@H]1[C@H]2CC[C@H]2[C@]1(C)CCC(=O)C2)C,non-mutagenic
+C[n+]1c2ccccc2nc2c1cccc2.COS(=O)(=O)O,mutagenic
+NC(=N)C(/N=N/C(C(=N)N)(C)C)(C)C.Cl.Cl,mutagenic
+ClCC[N+](CCCl)(C)[O-].Cl,mutagenic
+N/N=C/1\N=NC=C2[C@@H]1C=CC=C2.Cl,mutagenic
+CCNC(=O)CC[C@@H](C(=O)O)N,non-mutagenic
+CC[C@H]1CN2CCc3c([C@H]2C[C@H]1C[C@H]1NCCc2c1cc(OC)c(c2)OC)cc(c(c3)OC)OC.Cl.Cl,non-mutagenic
+[O-][N+](=O)c1ccc(s1)NC(=O)NCCCl,mutagenic
+CCN(CCCN(C1Cc2c(C1)cccc2)c1ccccc1)CC.Cl,non-mutagenic
+O[C@H]1[C@H](O)[C@H](O[C@H]1n1ccc(=O)[nH]c1=O)COP(=O)(O)O.[Na+].[Na+],non-mutagenic
+NCCc1c[nH]c2c1cccc2.Cl,non-mutagenic
+CCCC(=O)Nc1ccc(c(c1)C(=O)C)OC[C@@H](CNC(C)C)O.Cl,non-mutagenic
+ClCCN(c1ccc(cc1)CC(=O)O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3CC[C@@H]2[C@@H](CCCC(C)C)C)C)C1)C)CCCl,non-mutagenic
+OC(=O)c1cc2ccccc2c(c1O)Cc1c(O)c(cc2c1cccc2)C(=O)O.CN(c1ccc2c(c1)ccc([n+]2C)/C=C/c1cc(n(c1C)c1ccccc1)C)C.CN(c1ccc2c(c1)ccc([n+]2C)/C=C/c1cc(n(c1C)c1ccccc1)C)C,mutagenic
+CCCC(=O)O[C@@H]1[C@@H]2O[P@](=O)(O)OC[C@H]2O[C@H]1n1cnc2c1ncnc2NC(=O)CCC,non-mutagenic
+CNNCc1ccc(cc1)C(=O)NC(C)C.Cl,non-mutagenic
+CCOC(=O)NNc1nncc2c1cccc2.Cl,mutagenic
+O[C@@H]([C@@H](C(=O)O)O)C(=O)O.O=C([C@H]1CN(C)[C@@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@@]1(C)O[C@]2(N(C1=O)[C@H](Cc1ccccc1)C(=O)N1[C@@H]2CCC1)O.O=C([C@H]1CN(C)[C@@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@@]1(C)O[C@]2(N(C1=O)[C@H](Cc1ccccc1)C(=O)N1[C@@H]2CCC1)O,non-mutagenic
+CCCCCCC(=O)O[C@@]1(C#C)CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@H]12,non-mutagenic
+ClCCN(CCCNc1c2ccc(cc2nc2c1nc(OC)cc2)Cl)CC.Cl.Cl,mutagenic
+ClCCN(CCCNc1c2ccccc2nc2c1ccc1c2nccc1)CC.Cl.Cl,mutagenic
+OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NCc1ccc(cc1)[N+](=O)[O-],non-mutagenic
+OC(=O)[C@](Cc1ccc(c(c1)O)O)(N)C.O,non-mutagenic
+OC[C@H]1O[C@H](C[C@H]1O)n1cc(C=O)c(=O)[nH]c1=O,non-mutagenic
+O[C@@H]1[C@H](O)[C@H](O[C@H]1n1cnc2c1nc[nH]c2=O)COP(=O)(O)O.[Na+].[Na+],non-mutagenic
+C/C=C/1\CC(=C)[C@@](C)(O)C(=O)OCC2=CCN3[C@H]2[C@@H](OC1=O)CC3,mutagenic
+NCC(=O)Nc1ccccc1.Cl,mutagenic
+O=c1[nH]cnc2c1cccc2,non-mutagenic
+CCC1=C(C[C@H]2NCCc3c2cc(OC)c(c3)OC)C[C@@H]2N(C1)CCc1c2cc(c(c1)OC)OC,non-mutagenic
+OP(=O)(O)O.OP(=O)(O)O.CCN(CCC[C@H](Nc1ccnc2c1ccc(c2)Cl)C)CC,mutagenic
+CC(C1=CC2=CC[C@H]3[C@]([C@H]2CC1)(C)CCC[C@@]3(C)C(=O)O)C,non-mutagenic
+Oc1ccc2c(c1)Oc1c(C32OC(=O)c2c3cccc2)ccc(c1)O.[Na+].[Na+],non-mutagenic
+Oc1cc(O)c2c(c1)[o+]c(c(c2)O)c1cc(O)c(c(c1)O)O.Cl,non-mutagenic
+Nc1ccc(cc1)c1ccc(cc1)N.Cl.Cl,mutagenic
+CCCCCC[C@@H](C/C=C\CCCCCCCC(=O)O)O.[Na+],non-mutagenic
+O[C@@H]1[C@@H](O[C@@H]2O[C@H](C(=O)O)[C@H]([C@@H]([C@H]2O)O)O)[C@H](O[C@@H]([C@H]1O)C(=O)O)O[C@H]1CC[C@]2([C@H](C1(C)C)CC[C@@]1([C@@H]2C(=O)C=C2[C@@]1(C)CC[C@@]1([C@H]2C[C@](C)(CC1)C(=O)O)C)C)C.N,non-mutagenic
+OC(=O)c1ccccc1O.[Na+],non-mutagenic
+CCCOC(c1ccccc1)(c1ccccc1)C(=O)OC1CCN(CC1)C.Cl,non-mutagenic
+OS(=O)(=O)O.CNc1ccc(cc1)O.CNc1ccc(cc1)O,mutagenic
+O[C@@H]1[C@H](O)[C@H](O[C@H]1n1cnc2c1nc(N)[nH]c2=O)COP(=O)(O)O.[Na+].[Na+],non-mutagenic
+C[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3,mutagenic
+CNC(=O)Oc1ccc2c(c1)[C@]1(C)CCN([C@@H]1N2C)C,non-mutagenic
+CC(CCC[C@H]([C@H]1CC[C@H]2[C@@]1(C)CC[C@@H]1[C@@H]2CC=C2[C@]1(C)CCCC2)C)C,non-mutagenic
+O=C1C[C@@H]2CC[C@@H]3[C@@H]([C@]2(C[C@H]1C)C)CC[C@]1([C@@H]3CC[C@@H]1O)C,non-mutagenic
+OCc1c(CO)cnc(c1O)C.Cl,non-mutagenic
+Nc1ccc2c(c1)[s+]c1c(n2)ccc(c1)N.Cl,mutagenic
+Cc1ccc(c(c1)S(=O)(=O)O)/N=N/c1c(O)c(cc2c1cccc2)C(=O)O.[Na+].[Na+],non-mutagenic
+NNc1ccccc1.Cl,mutagenic
+CN.Cl,non-mutagenic
+O[C@H](COc1cccc(c1C)C)CNC(C)(C)C.Cl,non-mutagenic
+NCC(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)O)CC(C)C)Cc1ccccc1,non-mutagenic
+Oc1ccc2c(c1)[nH]c1c2CCN=C1C.Cl,non-mutagenic
+CC(CCC[C@H]([C@@H]1CC[C@H]2[C@]1(C)CC[C@@H]1[C@@H]2CC=C2[C@]1(C)CC[C@H](C2)OC(=O)C)C)C,non-mutagenic
+CNC[C@@H](c1cccc(c1)O)O.Cl,non-mutagenic
+N=c1nc[nH][nH]1,non-mutagenic
+CCn1c2ccc(cc2c2c1cccc2)N.Cl,mutagenic
+OC[C@H]1O[C@@H](C[C@@H]1O)n1cc(I)c(=N)[nH]c1=O,non-mutagenic
+OC(=O)CN(CC(=O)O)CCN(CC(=O)O)CC(=O)O.[Na+].[Na+].[Ca+2],non-mutagenic
+Nc1ccc(cc1)N.Cl.Cl,mutagenic
+OP(=O)(O)O.OP(=O)(O)O.NCCC[C@H](Nc1cc(OC)cc2c1nccc2)C,mutagenic
+COc1ccc(cc1)CN(c1ncccn1)CCN(C)C.Cl,non-mutagenic
+CC(=O)O[C@@H]1[C@@H](O[C@@H]2O[C@@H](C)[C@H]([C@H]([C@H]2O)OC(=O)C)O)[C@@H](OC(=O)[C@@H]2CC[C@@H]3[C@H](C2)O[C@@]2([C@]43CO4)OC[C@H]([C@H](C2)OC(=O)/C=C/c2ccccc2)C)O[C@H]([C@H]1O)C,non-mutagenic
+OS(=O)(=O)O.CCN(c1ccc(cc1)/C(=C/1\C=CC(=[N+](CC)CC)C=C1)/c1ccccc1)CC,mutagenic
+CN([C@@H]1C(=C(C(=O)N)C(=O)[C@@]2([C@@H]1C[C@H]1C(=C2O)C(=O)c2c([C@@]1(C)O)cccc2O)O)O)C.Cl,non-mutagenic
+COc1c(OC)cc2c(-c3ccc(c(=O)cc3[C@H](CC2)NC(=O)C)OC)c1OC,non-mutagenic
+OS(=O)(=O)c1cc2cc(c(c(c2c(c1/N=N/c1ccc(cc1)/N=N/c1ccc(cc1N)N)O)N)/N=N/c1ccc(cc1)/N=N/c1ccc(cc1N)N)S(=O)(=O)O.[Na+].[Na+],mutagenic
+OC(=O)C(Cl)(Cl)Cl.[Na+],non-mutagenic
+OC[C@H](c1ccccc1)C(=O)O[C@@H]1C[C@H]2N([C@@H](C1)[C@H]1[C@@H]2O1)C.Br.O.O.O,non-mutagenic
+CN/C(=C/[N+](=O)[O-])/NCCSCc1ccc(o1)CN(C)C.Cl,non-mutagenic
+Cc1cc(ccc1/N=N/c1ccc(c(c1)C(=O)O)O)c1ccc(c(c1)C)/N=N/c1c(N)c(C)cc(c1N)S(=O)(=O)O.[Na+].[Na+],mutagenic
+COC(=O)[C@@H]1c2cc3c(c(c2[C@H](C[C@]1(O)CC)O[C@@H]1O[C@@H](C)[C@@H]([C@H](C1)N(C)C)O)O)C(=O)c1c(C3=O)c(O)ccc1O,mutagenic
+Nc1ccc2-c3n(Cc2c1)c(=O)c1c(n3)cccc1,mutagenic
+c1ccc2c(c1)c(ccc2)C[C@H]1CO1,mutagenic
+OC[C@H]1O[C@H]([C@H]([C@@H]1O)O)n1ccc(nc1=O)N.Cl,non-mutagenic
+COC(=O)[C@@H]1c2cc3c(c(c2[C@H](C[C@]1(O)CC)O[C@@H]1O[C@@H](C)[C@H]([C@H](C1)N(C)C)O[C@H]1C[C@H](O)[C@@H]([C@@H](O1)C)O[C@@H]1O[C@@H](C)C(=O)C=C1N)O)C(=O)c1c(C3=O)c(O)ccc1O,mutagenic
+SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N,mutagenic
+Oc1ncnc(n1)O,non-mutagenic
+OC1=CC(=O)C1=O.[Na+],non-mutagenic
+OC(=O)[C@H](O)C.[Na+],non-mutagenic
+Nc1ccc(c(c1)S(=O)(=O)O)/C=C/c1ccc(cc1S(=O)(=O)O)N.[Na+].[Na+],non-mutagenic
+Nc1ccc2c(c1)[n+](C)c1c(c2)ccc(c1)N.Nc1ccc2c(c1)nc1c(c2)ccc(c1)N.Cl,mutagenic
+N/N=C/1\N=NC=C2[C@H]1C=CC=C2,mutagenic
+O[C@H]([C@H](C(=O)O)O)C(=O)O.[K+],non-mutagenic
+O[C@H]([C@H](C(=O)O)O)C(=O)O.CCCn1cc2c3c1cccc3[C@@H]1[C@@H](C2)N(C)CC(=C1)C,mutagenic
+Nc1ccn(c(=O)n1)[C@@H]1C=C([C@H]([C@H]1O)O)CO,non-mutagenic
diff --git a/data/Mutagenicity-Salmonella_typhimurium.json b/data/Mutagenicity-Salmonella_typhimurium.json
new file mode 100644 (file)
index 0000000..fdff200
--- /dev/null
@@ -0,0 +1 @@
+{"species":"Salmonella typhimurium","endpoint":"Mutagenicity","source":"http://cheminformatics.org/datasets/bursi/cas_4337.zip, http://doc.ml.tu-berlin.de/toxbenchmark/Mutagenicity_N6512.csv, https://data.europa.eu/euodp/data/storage/f/2017-07-19T142131/GENOTOX data and dictionary.xls","qmrf":{"group":"QMRF 4.10. Mutagenicity","name":"OECD 471 Bacterial Reverse Mutation Test"}}
diff --git a/data/parts/cas_4337.sdf b/data/parts/cas_4337.sdf
new file mode 100644 (file)
index 0000000..997ccc6
--- /dev/null
@@ -0,0 +1,306261 @@
+1728-95-6\r
+Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.\r
+\r
+ 43 46                          1 V2000\r
+    0.9930    0.7047   -0.0023 C   0  0  0\r
+    0.9904   -0.6797   -0.0183 C   0  0  0\r
+    2.1763    1.5863    0.0260 C   0  0  0\r
+   -0.3265    1.0961   -0.0241 N   0  0  0\r
+    2.1853   -1.5556   -0.0089 C   0  0  0\r
+   -0.2892   -1.0865   -0.0434 N   0  0  0\r
+    2.3543    2.5541   -0.9657 C   0  0  0\r
+    3.1205    1.4608    1.0477 C   0  0  0\r
+   -1.0833   -0.0400   -0.0522 C   0  0  0\r
+    2.2885   -2.5892    0.9220 C   0  0  0\r
+    3.2087   -1.3534   -0.9342 C   0  0  0\r
+    3.4621    3.3747   -0.9327 C   0  0  0\r
+    4.2238    2.2885    1.0680 C   0  0  0\r
+   -2.5600   -0.0852   -0.0822 C   0  0  0\r
+    3.4035   -3.4017    0.9255 C   0  0  0\r
+    4.3191   -2.1728   -0.9208 C   0  0  0\r
+    4.3964    3.2413    0.0797 C   0  0  0\r
+   -3.2155   -1.0263   -0.8784 C   0  0  0\r
+   -3.3037    0.8097    0.6903 C   0  0  0\r
+    4.4181   -3.1929    0.0081 C   0  0  0\r
+   -4.5930   -1.0652   -0.9036 C   0  0  0\r
+   -4.6805    0.7643    0.6595 C   0  0  0\r
+   -5.3289   -0.1699   -0.1384 C   0  0  0\r
+   -6.6864   -0.2111   -0.1663 O   0  0  0\r
+   -7.1490    0.8177    0.7110 C   0  0  0\r
+   -0.6656    2.0327    0.0000 H   0  0  0\r
+    1.5090    3.0812    0.0000 H   0  0  0\r
+    3.3725    0.4971    0.0000 H   0  0  0\r
+    1.4242   -3.0844    0.0000 H   0  0  0\r
+    3.4264   -0.3813    0.0000 H   0  0  0\r
+    3.2177    4.3404    0.0000 H   0  0  0\r
+    5.0714    1.7651    0.0000 H   0  0  0\r
+    3.1925   -4.3753    0.0000 H   0  0  0\r
+    5.1856   -1.6814    0.0000 H   0  0  0\r
+    5.2043    3.8240    0.0000 H   0  0  0\r
+   -2.7420   -1.9027    0.0000 H   0  0  0\r
+   -2.8955    1.7184    0.0000 H   0  0  0\r
+    5.2197   -3.7842    0.0000 H   0  0  0\r
+   -5.0058   -1.9718    0.0000 H   0  0  0\r
+   -5.1568    1.6392    0.0000 H   0  0  0\r
+   -6.2405    1.2262    0.0000 H   0  0  0\r
+   -7.5575    1.7262    0.0000 H   0  0  0\r
+   -8.0575    0.4092    0.0000 H   0  0  0\r
+  1  2  2  0\r
+  1  3  1  0\r
+  1  4  1  0\r
+  2  5  1  0\r
+  2  6  1  0\r
+  3  7  1  0\r
+  3  8  2  0\r
+  4  9  1  0\r
+  5 10  1  0\r
+  5 11  2  0\r
+  7 12  2  0\r
+  8 13  1  0\r
+  9 14  1  0\r
+ 10 15  2  0\r
+ 11 16  1  0\r
+ 12 17  1  0\r
+ 14 18  2  0\r
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+ 15 20  1  0\r
+ 18 21  1  0\r
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+ 21 23  2  0\r
+ 23 24  1  0\r
+ 24 25  1  0\r
+  6  9  2  0\r
+ 13 17  2  0\r
+ 16 20  2  0\r
+ 22 23  1  0\r
+  4 26  1  0\r
+  7 27  1  0\r
+  8 28  1  0\r
+ 10 29  1  0\r
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+ 25 41  1  0\r
+ 25 42  1  0\r
+ 25 43  1  0\r
+M  END\r
+>  <Ames test categorisation>\r
+mutagen\r
+\r
+$$$$\r
+91-08-7\r
+Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.\r
+\r
+ 19 19                          1 V2000\r
+    1.2094   -0.1551   -0.0022 C   0  0  0\r
+   -0.0001   -0.8598   -0.0013 C   0  0  0\r
+    1.1979    1.3183   -0.0020 C   0  0  0\r
+    2.3609   -0.8109    0.0024 N   0  0  0\r
+   -1.2094   -0.1551   -0.0003 C   0  0  0\r
+   -0.0001   -2.3668   -0.0020 C   0  0  0\r
+   -0.0002    2.0035   -0.0010 C   0  0  0\r
+    3.4398   -0.1795    0.0016 C   0  0  0\r
+   -1.1978    1.3185   -0.0002 C   0  0  0\r
+   -2.3609   -0.8109    0.0001 N   0  0  0\r
+    4.4823    0.4306    0.0009 O   0  0  0\r
+   -3.4397   -0.1795    0.0009 C   0  0  0\r
+   -4.4823    0.4307    0.0018 O   0  0  0\r
+    2.0909    1.8410    0.0000 H   0  0  0\r
+   -1.0348   -2.3668    0.0000 H   0  0  0\r
+   -0.0001   -3.4015    0.0000 H   0  0  0\r
+    1.0346   -2.3668    0.0000 H   0  0  0\r
+   -0.0002    3.0382    0.0000 H   0  0  0\r
+   -2.0908    1.8412    0.0000 H   0  0  0\r
+  1  2  1  0\r
+  1  3  2  0\r
+  1  4  1  0\r
+  2  5  2  0\r
+  2  6  1  0\r
+  3  7  1  0\r
+  4  8  2  0\r
+  5  9  1  0\r
+  5 10  1  0\r
+  8 11  2  0\r
+ 10 12  2  0\r
+ 12 13  2  0\r
+  7  9  2  0\r
+  3 14  1  0\r
+  6 15  1  0\r
+  6 16  1  0\r
+  6 17  1  0\r
+  7 18  1  0\r
+  9 19  1  0\r
+M  END\r
+>  <Ames test categorisation>\r
+mutagen\r
+\r
+$$$$\r
+89786-04-9\r
+Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.\r
+\r
+ 32 34                          1 V2000\r
+    0.1612   -0.5127   -0.0845 C   0  0  1\r
+   -1.3114   -0.6982    0.3343 C   0  0  1\r
+    0.1698    1.2804   -0.5072 S   0  0  0\r
+    1.1089   -0.8112    1.0790 C   0  0  0\r
+    0.5013   -1.3703   -1.3051 C   0  0  0\r
+   -2.2274    0.2787   -0.2407 N   0  0  0\r
+   -1.7577   -2.0759   -0.0826 C   0  0  0\r
+   -1.6205    1.4722   -0.8579 C   0  0  1\r
+    0.5027    2.0326    0.6515 O   0  0  0\r
+    0.9050    1.4745   -1.7077 O   0  0  0\r
+    2.4812   -0.4789    0.6886 N   0  0  0\r
+   -3.0365    0.9487    0.6271 C   0  0  0\r
+   -2.7165   -2.2185   -1.0110 O   0  0  0\r
+   -1.2523   -3.0521    0.4188 O   0  0  0\r
+   -2.3182    2.2264    0.2696 C   0  0  0\r
+    3.1066    0.6996    0.9149 C   0  0  0\r
+    3.3012   -1.2596    0.0763 N   0  0  0\r
+   -3.9464    0.6468    1.3700 O   0  0  0\r
+    4.3491    0.5733    0.3933 C   0  0  0\r
+    4.4234   -0.6612   -0.1165 N   0  0  0\r
+   -0.9952    0.1786    0.0000 H   0  0  0\r
+    0.5464   -1.5545    0.0000 H   0  0  0\r
+    1.6199   -1.5907    0.0000 H   0  0  0\r
+   -0.3652   -1.7139    0.0000 H   0  0  0\r
+    0.8449   -2.2368    0.0000 H   0  0  0\r
+    1.3678   -1.0267    0.0000 H   0  0  0\r
+   -1.2021    2.3051    0.0000 H   0  0  0\r
+   -3.6385   -2.3556    0.0000 H   0  0  0\r
+   -1.7034    2.9270    0.0000 H   0  0  0\r
+   -3.0789    2.7651    0.0000 H   0  0  0\r
+    2.6673    1.5217    0.0000 H   0  0  0\r
+    5.0216    1.2187    0.0000 H   0  0  0\r
+  1  2  1  0\r
+  1  3  1  0\r
+  1  4  1  0\r
+  1  5  1  0\r
+  2  6  1  0\r
+  2  7  1  0\r
+  3  8  1  0\r
+  3  9  2  0\r
+  3 10  2  0\r
+  4 11  1  0\r
+  6 12  1  0\r
+  7 13  1  0\r
+  7 14  2  0\r
+  8 15  1  0\r
+ 11 16  1  0\r
+ 11 17  1  0\r
+ 12 18  2  0\r
+ 16 19  2  0\r
+ 17 20  2  0\r
+  6  8  1  0\r
+ 12 15  1  0\r
+ 19 20  1  0\r
+  2 21  1  0\r
+  4 22  1  0\r
+  4 23  1  0\r
+  5 24  1  0\r
+  5 25  1  0\r
+  5 26  1  0\r
+  8 27  1  0\r
+ 13 28  1  0\r
+ 15 29  1  0\r
+ 15 30  1  0\r
+ 16 31  1  0\r
+ 19 32  1  0\r
+M  END\r
+>  <Ames test categorisation>\r
+nonmutagen\r
+\r
+$$$$\r
+2439-35-2\r
+Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.\r
+\r
+ 23 22                          1 V2000\r
+    1.6883   -0.0980    0.0613 C   0  0  0\r
+    0.3962    0.0818    0.4005 O   0  0  0\r
+    2.6228    1.0354    0.1004 C   0  0  0\r
+    2.0817   -1.1986   -0.2719 O   0  0  0\r
+   -0.5271   -1.0382    0.3618 C   0  0  0\r
+    3.8985    0.8579   -0.2344 C   0  0  0\r
+   -1.9185   -0.5670    0.7895 C   0  0  0\r
+   -2.3833    0.4826   -0.1272 N   0  0  0\r
+   -2.5682   -0.1536   -1.4383 C   0  0  0\r
+   -3.7166    0.8884    0.3369 C   0  0  0\r
+    2.2676    1.9471    0.0000 H   0  0  0\r
+   -0.9505   -1.9203    0.0000 H   0  0  0\r
+    0.2974   -1.5649    0.0000 H   0  0  0\r
+    4.2663   -0.0488    0.0000 H   0  0  0\r
+    4.4998    1.6297    0.0000 H   0  0  0\r
+   -2.8830   -0.7316    0.0000 H   0  0  0\r
+   -1.9954   -1.5424    0.0000 H   0  0  0\r
+   -3.5077    0.1195    0.0000 H   0  0  0\r
+   -2.8413   -1.0931    0.0000 H   0  0  0\r
+   -1.6287   -0.4267    0.0000 H   0  0  0\r
+   -3.4317    1.8244    0.0000 H   0  0  0\r
+   -4.6526    1.1733    0.0000 H   0  0  0\r
+   -4.0015   -0.0476    0.0000 H   0  0  0\r
+  1  2  1  0\r
+  1  3  1  0\r
+  1  4  2  0\r
+  2  5  1  0\r
+  3  6  2  0\r
+  5  7  1  0\r
+  7  8  1  0\r
+  8  9  1  0\r
+  8 10  1  0\r
+  3 11  1  0\r
+  5 12  1  0\r
+  5 13  1  0\r
+  6 14  1  0\r
+  6 15  1  0\r
+  7 16  1  0\r
+  7 17  1  0\r
+  9 18  1  0\r
+  9 19  1  0\r
+  9 20  1  0\r
+ 10 21  1  0\r
+ 10 22  1  0\r
+ 10 23  1  0\r
+M  END\r
+>  <Ames test categorisation>\r
+nonmutagen\r
+\r
+$$$$\r
+95-94-3\r
+Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.\r
+\r
+ 12 12                          1 V2000\r
+   -1.1979    0.6922    0.0026 C   0  0  0\r
+   -1.1979   -0.6922    0.0010 C   0  0  0\r
+    0.0002    1.3839    0.0028 C   0  0  0\r
+   -2.7013    1.5602   -0.0027 Cl  0  0  0\r
+    0.0002   -1.3839   -0.0006 C   0  0  0\r
+   -2.7013   -1.5602    0.0014 Cl  0  0  0\r
+    1.1978    0.6924    0.0013 C   0  0  0\r
+    1.1978   -0.6924   -0.0004 C   0  0  0\r
+    2.7013    1.5604    0.0009 Cl  0  0  0\r
+    2.7013   -1.5604   -0.0018 Cl  0  0  0\r
+    0.0002    2.4223    0.0000 H   0  0  0\r
+    0.0002   -2.4223    0.0000 H   0  0  0\r
+  1  2  2  0\r
+  1  3  1  0\r
+  1  4  1  0\r
+  2  5  1  0\r
+  2  6  1  0\r
+  3  7  2  0\r
+  5  8  2  0\r
+  7  9  1  0\r
+  8 10  1  0\r
+  7  8  1  0\r
+  3 11  1  0\r
+  5 12  1  0\r
+M  END\r
+>  <Ames test categorisation>\r
+nonmutagen\r
+\r
+$$$$\r
+120314-14-9\r
+Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.\r
+\r
+ 24 25                          1 V2000\r
+    0.0162   -0.8420   -0.2140 C   0  0  0\r
+   -1.2620   -0.3133    0.0305 C   0  0  0\r
+    0.9060    0.3113   -0.4144 C   0  0  0\r
+    0.2070   -2.2221   -0.2297 C   0  0  0\r
+   -1.1473    1.0699   -0.0199 N   0  0  0\r
+   -2.3255   -1.1733    0.2597 C   0  0  0\r
+    0.1604    1.4152   -0.2877 C   0  0  0\r
+    2.3831    0.2597   -0.7085 C   0  0  0\r
+   -0.8637   -3.0621   -0.0044 C   0  0  0\r
+   -2.1159    1.9036    0.1560 N   0  0  0\r
+   -2.1224   -2.5391    0.2464 C   0  0  0\r
+    3.1655    0.2700    0.6063 C   0  0  0\r
+   -1.9075    3.1019    0.0906 O   0  0  0\r
+    4.5662    0.2211    0.3275 O   0  0  0\r
+    1.1580   -2.6065    0.0000 H   0  0  0\r
+   -3.2813   -0.8008    0.0000 H   0  0  0\r
+    0.5211    2.3755    0.0000 H   0  0  0\r
+    1.8535   -0.6188    0.0000 H   0  0  0\r
+    2.8934   -0.6301    0.0000 H   0  0  0\r
+   -0.7249   -4.0785    0.0000 H   0  0  0\r
+   -2.9313   -3.1699    0.0000 H   0  0  0\r
+    3.6951    1.1485    0.0000 H   0  0  0\r
+    2.6551    1.1598    0.0000 H   0  0  0\r
+    5.5914    0.1853    0.0000 H   0  0  0\r
+  1  2  2  0\r
+  1  3  1  0\r
+  1  4  1  0\r
+  2  5  1  0\r
+  2  6  1  0\r
+  3  7  2  0\r
+  3  8  1  0\r
+  4  9  2  0\r
+  5 10  1  0\r
+  6 11  2  0\r
+  8 12  1  0\r
+ 10 13  2  0\r
+ 12 14  1  0\r
+  5  7  1  0\r
+  9 11  1  0\r
+  4 15  1  0\r
+  6 16  1  0\r
+  7 17  1  0\r
+  8 18  1  0\r
+  8 19  1  0\r
+  9 20  1  0\r
+ 11 21  1  0\r
+ 12 22  1  0\r
+ 12 23  1  0\r
+ 14 24  1  0\r
+M  END\r
+>  <Ames test categorisation>\r
+mutagen\r
+\r
+$$$$\r
+146795-42-8\r
+Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.\r
+\r
+ 25 26                          1 V2000\r
+   -2.3227   -0.1670    0.0877 C   0  0  0\r
+   -3.5568    0.5728    0.0018 C   0  0  0\r
+   -1.0196    0.5151    0.1363 C   0  0  0\r
+   -2.4176   -1.5428    0.1283 C   0  0  0\r
+   -4.6985   -0.1418   -0.0368 C   0  0  0\r
+    0.1161   -0.2062    0.2165 N   0  0  0\r
+   -0.9675    1.7300    0.1040 O   0  0  0\r
+   -4.1243   -1.8254    0.0525 S   0  0  0\r
+   -6.0912    0.3525   -0.1234 N   0  3  0\r
+    1.3575    0.4321    0.1298 C   0  0  0\r
+   -7.0175   -0.4381   -0.1487 O   0  0  0\r
+   -6.3109    1.5496   -0.1694 O   0  5  0\r
+    2.5243   -0.3196    0.0769 C   0  0  0\r
+    1.4258    1.8186    0.0907 C   0  0  0\r
+    3.7491    0.3142   -0.0086 C   0  0  0\r
+    2.6533    2.4464    0.0052 C   0  0  0\r
+    3.8135    1.6963   -0.0416 C   0  0  0\r
+    5.3386   -0.7077   -0.0801 Br  0  0  0\r
+   -3.5668    1.6105    0.0000 H   0  0  0\r
+   -1.6497   -2.2408    0.0000 H   0  0  0\r
+    0.0689   -1.2428    0.0000 H   0  0  0\r
+    2.4751   -1.3561    0.0000 H   0  0  0\r
+    0.5542    2.3817    0.0000 H   0  0  0\r
+    2.7058    3.4828    0.0000 H   0  0  0\r
+    4.7362    2.1710    0.0000 H   0  0  0\r
+  1  2  1  0\r
+  1  3  1  0\r
+  1  4  2  0\r
+  2  5  2  0\r
+  3  6  1  0\r
+  3  7  2  0\r
+  4  8  1  0\r
+  5  9  1  0\r
+  6 10  1  0\r
+  9 11  2  0\r
+  9 12  1  0\r
+ 10 13  1  0\r
+ 10 14  2  0\r
+ 13 15  2  0\r
+ 14 16  1  0\r
+ 15 17  1  0\r
+ 15 18  1  0\r
+  5  8  1  0\r
+ 16 17  2  0\r
+  2 19  1  0\r
+  4 20  1  0\r
+  6 21  1  0\r
+ 13 22  1  0\r
+ 14 23  1  0\r
+ 16 24  1  0\r
+ 17 25  1  0\r
+M  END\r
+>  <Ames test categorisation>\r
+mutagen\r
+\r
+$$$$\r
+119-41-5\r
+Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.\r
+\r
+ 40 42                          1 V2000\r
+    0.7711   -0.0680   -0.0126 C   0  0  0\r
+    0.6596   -1.4676   -0.0791 C   0  0  0\r
+    1.9914    0.5074    0.0154 O   0  0  0\r
+   -0.3806    0.7037    0.0292 C   0  0  0\r
+    1.8970   -2.2693   -0.1170 C   0  0  0\r
+   -0.5969   -2.0722   -0.1076 C   0  0  0\r
+    3.1241   -0.2116   -0.0182 C   0  0  0\r
+   -1.6216    0.0883    0.0051 C   0  0  0\r
+    3.1269   -1.5696   -0.0836 C   0  0  0\r
+    1.8619   -3.4875   -0.1754 O   0  0  0\r
+   -1.7225   -1.2987   -0.0705 C   0  0  0\r
+    4.4177    0.5000    0.0158 C   0  0  0\r
+   -2.7486    0.8440    0.0465 O   0  0  0\r
+    5.4798   -0.0110    0.7646 C   0  0  0\r
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+M  END\r
+>  <Ames test categorisation>\r
+nonmutagen\r
+\r
+$$$$\r
+614-00-6\r
+Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.\r
+\r
+ 18 18                          1 V2000\r
+    0.2205    0.1139   -0.0010 C   0  0  0\r
+   -1.1629    0.3028   -0.0002 N   0  0  0\r
+    1.0734    1.2114    0.0003 C   0  0  0\r
+    0.7478   -1.1716    0.0027 C   0  0  0\r
+   -1.9530   -0.7168   -0.0014 N   0  0  0\r
+   -1.7170    1.6590    0.0020 C   0  0  0\r
+    2.4408    1.0208   -0.0005 C   0  0  0\r
+    2.1167   -1.3546    0.0019 C   0  0  0\r
+   -3.1598   -0.5521   -0.0007 O   0  0  0\r
+    2.9622   -0.2604   -0.0027 C   0  0  0\r
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+  1  2  1  0\r
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+  7 16  1  0\r
+  8 17  1  0\r
+ 10 18  1  0\r
+M  END\r
+>  <Ames test categorisation>\r
+mutagen\r
+\r
+$$$$\r
+77996-03-3\r
+Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.\r
+\r
+ 41 45                          1 V2000\r
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+   -0.9803   -0.0260    0.0944 C   0  0  0\r
+    1.0605    1.1964   -0.0717 C   0  0  0\r
+    1.0947   -1.2274   -0.1835 N   0  0  0\r
+   -1.6963    1.1703    0.2128 C   0  0  0\r
+   -1.9767   -1.1510    0.1729 C   0  0  0\r
+    2.5246    1.2021   -0.2161 C   0  0  0\r
+    0.3456    2.3959    0.0480 C   0  0  0\r
+    2.4672   -1.2733   -0.0349 C   0  0  0\r
+    0.3669   -2.4623   -0.4865 C   0  0  0\r
+   -3.0190    0.9401    0.3341 O   0  0  0\r
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+   -3.2301   -0.4291    0.7293 C   0  0  0\r
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+M  END\r
+>  <Ames test categorisation>\r
+mutagen\r
+\r
+$$$$\r
+123-01-3\r
+Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.\r
+\r
+ 48 48                          1 V2000\r
+    5.0094   -0.3759   -0.0078 C   0  0  0\r
+    5.6036   -0.0475    1.1966 C   0  0  0\r
+    5.6064   -0.0030   -1.1973 C   0  0  0\r
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+    2.5386   -0.1667   -0.0035 C   0  0  0\r
+    7.3918    1.0266    0.0213 C   0  0  0\r
+    1.2234   -0.9484   -0.0197 C   0  0  0\r
+    0.0479    0.0307    0.0006 C   0  0  0\r
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+  -10.6491   -0.0611    0.0000 H   0  0  0\r
+  1  2  1  0\r
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+  5  8  1  0\r
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+ 18 48  1  0\r
+M  END\r
+>  <Ames test categorisation>\r
+nonmutagen\r
+\r
+$$$$\r
+53478-38-9\r
+Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.\r
+\r
+ 43 46                          1 V2000\r
+    2.1134    0.0362   -0.7507 C   0  0  0\r
+    2.5117   -1.2683   -0.3955 C   0  0  0\r
+    2.8791    1.1126   -0.2601 C   0  0  0\r
+    1.0156    0.2515   -1.5555 N   0  0  0\r
+    3.6518   -1.4489    0.4308 C   0  0  0\r
+    1.7959   -2.3899   -0.8473 C   0  0  0\r
+    4.0067    0.8493    0.5616 C   0  0  0\r
+    2.5415    2.4404   -0.5726 C   0  0  0\r
+   -0.2512    0.4114   -0.9827 C   0  0  0\r
+    4.3458   -0.4008    0.8721 N   0  0  0\r
+    4.0392   -2.7591    0.7786 C   0  0  0\r
+    2.2023   -3.6381   -0.4887 C   0  0  0\r
+    4.7641    1.9356    1.0457 C   0  0  0\r
+    3.2982    3.4608   -0.0849 C   0  0  0\r
+   -1.3580    0.6285   -1.7940 C   0  0  0\r
+   -0.4030    0.3475    0.3963 C   0  0  0\r
+    3.3224   -3.8200    0.3222 C   0  0  0\r
+    4.4072    3.2065    0.7219 C   0  0  0\r
+   -2.6075    0.7858   -1.2290 C   0  0  0\r
+   -1.6530    0.5049    0.9613 C   0  0  0\r
+   -2.7585    0.7271    0.1506 C   0  0  0\r
+   -4.0250    0.8870    0.7232 N   0  0  0\r
+   -5.2427   -0.1709    0.3485 S   0  0  0\r
+   -4.6916   -1.7220    1.1107 C   0  0  0\r
+   -6.3601    0.3802    1.0317 O   0  0  0\r
+   -5.1803   -0.2334   -1.0698 O   0  0  0\r
+    1.1670    1.1922    0.0000 H   0  0  0\r
+    0.8508   -2.2696    0.0000 H   0  0  0\r
+    1.6067    2.6246    0.0000 H   0  0  0\r
+    4.9808   -2.9046    0.0000 H   0  0  0\r
+    1.5823   -4.3616    0.0000 H   0  0  0\r
+    5.7035    1.7767    0.0000 H   0  0  0\r
+    2.9682    4.3546    0.0000 H   0  0  0\r
+   -1.2067    1.5692    0.0000 H   0  0  0\r
+   -0.2733   -0.5964    0.0000 H   0  0  0\r
+    3.7003   -4.6946    0.0000 H   0  0  0\r
+    5.0644    3.8963    0.0000 H   0  0  0\r
+   -2.7242    1.7314    0.0000 H   0  0  0\r
+   -1.8065   -0.4354    0.0000 H   0  0  0\r
+   -4.3019    1.7987    0.0000 H   0  0  0\r
+   -5.5894   -2.0410    0.0000 H   0  0  0\r
+   -4.3726   -2.6198    0.0000 H   0  0  0\r
+   -3.7938   -1.4030    0.0000 H   0  0  0\r
+  1  2  1  0\r
+  1  3  2  0\r
+  1  4  1  0\r
+  2  5  2  0\r
+  2  6  1  0\r
+  3  7  1  0\r
+  3  8  1  0\r
+  4  9  1  0\r
+  5 10  1  0\r
+  5 11  1  0\r
+  6 12  2  0\r
+  7 13  1  0\r
+  8 14  2  0\r
+  9 15  1  0\r
+  9 16  2  0\r
+ 11 17  2  0\r
+ 13 18  2  0\r
+ 15 19  2  0\r
+ 16 20  1  0\r
+ 19 21  1  0\r
+ 21 22  1  0\r
+ 22 23  1  0\r
+ 23 24  1  0\r
+ 23 25  2  0\r
+ 23 26  2  0\r
+  7 10  2  0\r
+ 12 17  1  0\r
+ 14 18  1  0\r
+ 20 21  2  0\r
+  4 27  1  0\r
+  6 28  1  0\r
+  8 29  1  0\r
+ 11 30  1  0\r
+ 12 31  1  0\r
+ 13 32  1  0\r
+ 14 33  1  0\r
+ 15 34  1  0\r
+ 16 35  1  0\r
+ 17 36  1  0\r
+ 18 37  1  0\r
+ 19 38  1  0\r
+ 20 39  1  0\r
+ 22 40  1  0\r
+ 24 41  1  0\r
+ 24 42  1  0\r
+ 24 43  1  0\r
+M  END\r
+>  <Ames test categorisation>\r
+mutagen\r
+\r
+$$$$\r
+1836-75-5\r
+Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.\r
+\r
+ 25 26                          1 V2000\r
+    1.2481    0.9392    0.8230 C   0  0  0\r
+    0.1853    1.7219    1.1476 O   0  0  0\r
+    1.6565    0.8350   -0.4998 C   0  0  0\r
+    1.9299    0.2479    1.8138 C   0  0  0\r
+   -0.9322    1.0270    0.8087 C   0  0  0\r
+    2.7378    0.0382   -0.8272 C   0  0  0\r
+    0.8099    1.7039   -1.7415 Cl  0  0  0\r
+    3.0098   -0.5471    1.4821 C   0  0  0\r
+   -2.1787    1.6298    0.8968 C   0  0  0\r
+   -0.8281   -0.2849    0.3684 C   0  0  0\r
+    3.4122   -0.6546    0.1624 C   0  0  0\r
+   -3.3133    0.9212    0.5511 C   0  0  0\r
+   -1.9655   -0.9888    0.0241 C   0  0  0\r
+    4.7694   -1.6550   -0.2512 Cl  0  0  0\r
+   -3.2072   -0.3874    0.1178 C   0  0  0\r
+   -4.4245   -1.1443   -0.2514 N   0  3  0\r
+   -4.3323   -2.2972   -0.6333 O   0  0  0\r
+   -5.5183   -0.6142   -0.1733 O   0  5  0\r
+    1.2839   -0.4984    0.0000 H   0  0  0\r
+    3.3864    0.7822    0.0000 H   0  0  0\r
+    2.5824   -1.4368    0.0000 H   0  0  0\r
+   -2.2319    2.6154    0.0000 H   0  0  0\r
+    0.0525   -0.7308    0.0000 H   0  0  0\r
+   -4.1952    1.3645    0.0000 H   0  0  0\r
+   -1.9146   -1.9745    0.0000 H   0  0  0\r
+  1  2  1  0\r
+  1  3  2  0\r
+  1  4  1  0\r
+  2  5  1  0\r
+  3  6  1  0\r
+  3  7  1  0\r
+  4  8  2  0\r
+  5  9  2  0\r
+  5 10  1  0\r
+  6 11  2  0\r
+  9 12  1  0\r
+ 10 13  2  0\r
+ 11 14  1  0\r
+ 12 15  2  0\r
+ 15 16  1  0\r
+ 16 17  2  0\r
+ 16 18  1  0\r
+  8 11  1  0\r
+ 13 15  1  0\r
+  4 19  1  0\r
+  6 20  1  0\r
+  8 21  1  0\r
+  9 22  1  0\r
+ 10 23  1  0\r
+ 12 24  1  0\r
+ 13 25  1  0\r
+M  END\r
+>  <Ames test categorisation>\r
+mutagen\r
+\r
+$$$$\r
+329-71-5\r
+Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.\r
+\r
+ 17 17                          1 V2000\r
+   -1.5145    0.1292   -0.0097 C   0  0  0\r
+   -0.7644   -1.0255    0.0986 C   0  0  0\r
+   -0.8856    1.3554   -0.1250 C   0  0  0\r
+   -2.9927    0.0536   -0.0085 N   0  3  0\r
+    0.6213   -0.9545    0.0917 C   0  0  0\r
+    0.4949    1.4289   -0.1321 C   0  0  0\r
+   -3.6547    1.0715   -0.1039 O   0  0  0\r
+   -3.5472   -1.0266    0.0880 O   0  5  0\r
+    1.2497    0.2767   -0.0241 C   0  0  0\r
+    1.3615   -2.0892    0.1985 O   0  0  0\r
+    2.7278    0.3560   -0.0323 N   0  3  0\r
+    3.2945    1.2271    0.6030 O   0  0  0\r
+    3.3773   -0.4498   -0.6744 O   0  5  0\r
+   -1.2339   -1.9457    0.0000 H   0  0  0\r
+   -1.4475    2.2223    0.0000 H   0  0  0\r
+    0.9617    2.3505    0.0000 H   0  0  0\r
+    1.9259   -2.9544    0.0000 H   0  0  0\r
+  1  2  2  0\r
+  1  3  1  0\r
+  1  4  1  0\r
+  2  5  1  0\r
+  3  6  2  0\r
+  4  7  2  0\r
+  4  8  1  0\r
+  5  9  2  0\r
+  5 10  1  0\r
+  9 11  1  0\r
+ 11 12  2  0\r
+ 11 13  1  0\r
+  6  9  1  0\r
+  2 14  1  0\r
+  3 15  1  0\r
+  6 16  1  0\r
+ 10 17  1  0\r
+M  END\r
+>  <Ames test categorisation>\r
+mutagen\r
+\r
+$$$$\r
+108-64-5\r
+Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.\r
+\r
+ 23 22                          1 V2000\r
+    1.0729   -0.2299   -0.8280 C   0  0  0\r
+   -0.2382   -0.5501   -0.1575 C   0  0  0\r
+    2.1214    0.1033    0.2353 C   0  0  0\r
+   -1.3116    0.2252   -0.3779 O   0  0  0\r
+   -0.3232   -1.5046    0.5784 O   0  0  0\r
+    3.5202   -0.0147   -0.3733 C   0  0  0\r
+    1.9025    1.5319    0.7373 C   0  0  0\r
+   -2.5749   -0.0833    0.2681 C   0  0  0\r
+   -3.6260    0.9473   -0.1490 C   0  0  0\r
+    0.8138   -1.1985    0.0000 H   0  0  0\r
+    1.7981   -0.9223    0.0000 H   0  0  0\r
+    2.2332   -0.8931    0.0000 H   0  0  0\r
+    3.4359   -1.0138    0.0000 H   0  0  0\r
+    4.5193   -0.0990    0.0000 H   0  0  0\r
+    3.6045    0.9844    0.0000 H   0  0  0\r
+    2.8936    1.6838    0.0000 H   0  0  0\r
+    1.7506    2.5230    0.0000 H   0  0  0\r
+    0.9114    1.3800    0.0000 H   0  0  0\r
+   -3.3967   -0.6577    0.0000 H   0  0  0\r
+   -2.1617   -0.9969    0.0000 H   0  0  0\r
+   -2.9240    1.6632    0.0000 H   0  0  0\r
+   -4.3419    1.6493    0.0000 H   0  0  0\r
+   -4.3280    0.2314    0.0000 H   0  0  0\r
+  1  2  1  0\r
+  1  3  1  0\r
+  2  4  1  0\r
+  2  5  2  0\r
+  3  6  1  0\r
+  3  7  1  0\r
+  4  8  1  0\r
+  8  9  1  0\r
+  1 10  1  0\r
+  1 11  1  0\r
+  3 12  1  0\r
+  6 13  1  0\r
+  6 14  1  0\r
+  6 15  1  0\r
+  7 16  1  0\r
+  7 17  1  0\r
+  7 18  1  0\r
+  8 19  1  0\r
+  8 20  1  0\r
+  9 21  1  0\r
+  9 22  1  0\r
+  9 23  1  0\r
+M  END\r
+>  <Ames test categorisation>\r
+nonmutagen\r
+\r
+$$$$\r
+146177-59-5\r
+Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.\r
+\r
+ 30 32                          1 V2000\r
+    0.4502   -0.7688   -0.0017 C   0  0  0\r
+   -1.0091   -0.8344   -0.0008 C   0  0  0\r
+    1.0661    0.4855   -0.0013 C   0  0  0\r
+    1.4297   -1.7015    0.0026 N   0  0  0\r
+   -1.7450    0.3769    0.0002 C   0  0  0\r
+   -1.6530   -2.0005   -0.0016 N   0  0  0\r
+    0.2961    1.6513   -0.0003 C   0  0  0\r
+    2.4289    0.2435   -0.0018 N   0  0  0\r
+    2.5998   -1.1093   -0.0002 C   0  0  0\r
+   -1.0601    1.6068    0.0010 C   0  0  0\r
+   -3.0814    0.3325    0.0010 N   0  0  0\r
+   -2.9686   -2.0192   -0.0012 C   0  0  0\r
+    0.9882    2.9900    0.0000 C   0  0  0\r
+    3.4905    1.2532   -0.0017 C   0  0  0\r
+    3.8182   -1.7565    0.0028 N   0  0  0\r
+   -1.8449    2.8933    0.0016 C   0  0  0\r
+   -3.6955   -0.8298    0.0007 C   0  0  0\r
+   -3.4699   -2.9282    0.0000 H   0  0  0\r
+    1.9103    2.5133    0.0000 H   0  0  0\r
+    1.4649    3.9121    0.0000 H   0  0  0\r
+    0.0661    3.4667    0.0000 H   0  0  0\r
+    4.2059    0.5010    0.0000 H   0  0  0\r
+    4.2427    1.9686    0.0000 H   0  0  0\r
+    2.7751    2.0054    0.0000 H   0  0  0\r
+    3.8549   -2.7939    0.0000 H   0  0  0\r
+    4.6983   -1.2060    0.0000 H   0  0  0\r
+   -0.9587    3.4339    0.0000 H   0  0  0\r
+   -2.3855    3.7795    0.0000 H   0  0  0\r
+   -2.7311    2.3527    0.0000 H   0  0  0\r
+   -4.7331   -0.8622    0.0000 H   0  0  0\r
+  1  2  1  0\r
+  1  3  2  0\r
+  1  4  1  0\r
+  2  5  2  0\r
+  2  6  1  0\r
+  3  7  1  0\r
+  3  8  1  0\r
+  4  9  2  0\r
+  5 10  1  0\r
+  5 11  1  0\r
+  6 12  2  0\r
+  7 13  1  0\r
+  8 14  1  0\r
+  9 15  1  0\r
+ 10 16  1  0\r
+ 11 17  2  0\r
+  7 10  2  0\r
+  8  9  1  0\r
+ 12 17  1  0\r
+ 12 18  1  0\r
+ 13 19  1  0\r
+ 13 20  1  0\r
+ 13 21  1  0\r
+ 14 22  1  0\r
+ 14 23  1  0\r
+ 14 24  1  0\r
+ 15 25  1  0\r
+ 15 26  1  0\r
+ 16 27  1  0\r
+ 16 28  1  0\r
+ 16 29  1  0\r
+ 17 30  1  0\r
+M  END\r
+>  <Ames test categorisation>\r
+mutagen\r
+\r
+$$$$\r
+106264-79-3\r
+Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.\r
+\r
+ 27 27                          1 V2000\r
+    1.2014   -0.1676   -0.0036 C   0  0  0\r
+    0.0001   -0.8613   -0.0027 C   0  0  0\r
+    1.2011    1.2266   -0.0021 C   0  0  0\r
+    2.7275   -1.0483    0.0009 S   0  0  0\r
+   -1.2015   -0.1674   -0.0004 C   0  0  0\r
+    0.0001    1.9198    0.0002 C   0  0  0\r
+    2.4161    1.9284   -0.0025 N   0  0  0\r
+    2.1073   -2.7530    0.0055 C   0  0  0\r
+   -1.2012    1.2264    0.0010 C   0  0  0\r
+   -2.7275   -1.0482    0.0001 S   0  0  0\r
+    0.0001    3.4268    0.0017 C   0  0  0\r
+   -2.4161    1.9281    0.0033 N   0  0  0\r
+   -2.1074   -2.7529   -0.0029 C   0  0  0\r
+    0.0001   -1.9135    0.0000 H   0  0  0\r
+    3.3275    1.4025    0.0000 H   0  0  0\r
+    2.4159    2.9806    0.0000 H   0  0  0\r
+    1.1185   -2.3932    0.0000 H   0  0  0\r
+    1.7475   -3.7418    0.0000 H   0  0  0\r
+    3.0961   -3.1128    0.0000 H   0  0  0\r
+    1.0523    3.4268    0.0000 H   0  0  0\r
+    0.0001    4.4790    0.0000 H   0  0  0\r
+   -1.0521    3.4268    0.0000 H   0  0  0\r
+   -2.4159    2.9803    0.0000 H   0  0  0\r
+   -3.3275    1.4021    0.0000 H   0  0  0\r
+   -3.0962   -3.1126    0.0000 H   0  0  0\r
+   -1.7477   -3.7417    0.0000 H   0  0  0\r
+   -1.1186   -2.3932    0.0000 H   0  0  0\r
+  1  2  2  0\r
+  1  3  1  0\r
+  1  4  1  0\r
+  2  5  1  0\r
+  3  6  2  0\r
+  3  7  1  0\r
+  4  8  1  0\r
+  5  9  2  0\r
+  5 10  1  0\r
+  6 11  1  0\r
+  9 12  1  0\r
+ 10 13  1  0\r
+  6  9  1  0\r
+  2 14  1  0\r
+  7 15  1  0\r
+  7 16  1  0\r
+  8 17  1  0\r
+  8 18  1  0\r
+  8 19  1  0\r
+ 11 20  1  0\r
+ 11 21  1  0\r
+ 11 22  1  0\r
+ 12 23  1  0\r
+ 12 24  1  0\r
+ 13 25  1  0\r
+ 13 26  1  0\r
+ 13 27  1  0\r
+M  END\r
+>  <Ames test categorisation>\r
+mutagen\r
+\r
+$$$$\r
+88488-97-5\r
+Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.\r
+\r
+ 37 41                          1 V2000\r
+   -0.4255    0.5937   -0.0036 C   0  0  0\r
+   -0.6825   -0.7995   -0.0029 C   0  0  0\r
+    0.9661    1.0837   -0.0022 C   0  0  0\r
+   -1.4742    1.4982    0.0001 C   0  0  0\r
+    0.4437   -1.7528   -0.0007 C   0  0  0\r
+   -1.9853   -1.2687   -0.0039 C   0  0  0\r
+    2.0343    0.1701   -0.0005 C   0  0  0\r
+    1.2276    2.4552   -0.0031 C   0  0  0\r
+   -2.7954    1.0338    0.0043 C   0  0  0\r
+    1.7669   -1.2797    0.0007 C   0  0  0\r
+    0.2025   -3.1274    0.0004 C   0  0  0\r
+   -3.0534   -0.3625   -0.0058 C   0  0  0\r
+    3.3466    0.6432    0.0004 C   0  0  0\r
+    2.5277    2.9071   -0.0022 C   0  0  0\r
+   -3.8779    1.9341    0.0088 C   0  0  0\r
+    2.8248   -2.1903    0.0033 C   0  0  0\r
+    1.2601   -4.0101    0.0030 C   0  0  0\r
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+   -3.7032    2.9661    0.0000 H   0  0  0\r
+    3.8131   -1.8456    0.0000 H   0  0  0\r
+    1.0767   -5.0406    0.0000 H   0  0  0\r
+   -4.5926   -1.8417    0.0000 H   0  0  0\r
+   -5.9536    2.1295    0.0000 H   0  0  0\r
+    3.3612   -4.2241    0.0000 H   0  0  0\r
+   -6.3945   -0.2555    0.0000 H   0  0  0\r
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+  1  2  1  0\r
+  1  3  1  0\r
+  1  4  2  0\r
+  2  5  1  0\r
+  2  6  2  0\r
+  3  7  2  0\r
+  3  8  1  0\r
+  4  9  1  0\r
+  5 10  2  0\r
+  5 11  1  0\r
+  6 12  1  0\r
+  7 13  1  0\r
+  8 14  2  0\r
+  9 15  1  0\r
+ 10 16  1  0\r
+ 11 17  2  0\r
+ 12 18  1  0\r
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+ 15 20  2  0\r
+ 16 21  2  0\r
+ 18 22  2  0\r
+ 19 23  1  0\r
+  7 10  1  0\r
+  9 12  2  0\r
+ 14 19  1  0\r
+ 17 21  1  0\r
+ 20 22  1  0\r
+  4 24  1  0\r
+  6 25  1  0\r
+  8 26  1  0\r
+ 11 27  1  0\r
+ 13 28  1  0\r
+ 14 29  1  0\r
+ 15 30  1  0\r
+ 16 31  1  0\r
+ 17 32  1  0\r
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+ 21 35  1  0\r
+ 22 36  1  0\r
+ 23 37  1  0\r
+M  END\r
+>  <Ames test categorisation>\r
+mutagen\r
+\r
+$$$$\r
+61203-01-8\r
+Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.\r
+\r
+ 11 10                          1 V2000\r
+    1.6947   -0.2675   -0.0016 C   0  0  0\r
+    0.5343    0.6242    0.0001 C   0  0  0\r
+    3.0873    0.3083   -0.0014 C   0  0  0\r
+    1.5355   -1.4702    0.0019 O   0  0  0\r
+    0.7095    1.9478    0.0018 C   0  0  0\r
+   -1.2132   -0.0983   -0.0002 Br  0  0  0\r
+    3.5067   -0.7060    0.0000 H   0  0  0\r
+    4.1016    0.7277    0.0000 H   0  0  0\r
+    2.6679    1.3226    0.0000 H   0  0  0\r
+    1.7238    2.3671    0.0000 H   0  0  0\r
+   -0.1608    2.6166    0.0000 H   0  0  0\r
+  1  2  1  0\r
+  1  3  1  0\r
+  1  4  2  0\r
+  2  5  2  0\r
+  2  6  1  0\r
+  3  7  1  0\r
+  3  8  1  0\r
+  3  9  1  0\r
+  5 10  1  0\r
+  5 11  1  0\r
+M  END\r
+>  <Ames test categorisation>\r
+mutagen\r
+\r
+$$$$\r
+112-24-3\r
+Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.\r
+\r
+ 28 27                          1 V2000\r
+    0.6456   -0.4103    0.0000 C   0  0  0\r
+   -0.6456    0.4103    0.0000 C   0  0  0\r
+    1.8018    0.4960    0.0000 N   0  0  0\r
+   -1.8018   -0.4960    0.0000 N   0  0  0\r
+    3.0020   -0.3510    0.0000 C   0  0  0\r
+   -3.0020    0.3510    0.0000 C   0  0  0\r
+    4.2504    0.5336    0.0000 C   0  0  0\r
+   -4.2504   -0.5336    0.0000 C   0  0  0\r
+    5.4507   -0.3133    0.0000 N   0  0  0\r
+   -5.4507    0.3133    0.0000 N   0  0  0\r
+   -0.0467   -1.2674    0.0000 H   0  0  0\r
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+    0.0467    1.2674    0.0000 H   0  0  0\r
+   -1.4190    1.1951    0.0000 H   0  0  0\r
+    1.7741    1.5975    0.0000 H   0  0  0\r
+   -1.7741   -1.5975    0.0000 H   0  0  0\r
+    2.2690   -1.1736    0.0000 H   0  0  0\r
+    3.7365   -1.1722    0.0000 H   0  0  0\r
+   -2.2690    1.1736    0.0000 H   0  0  0\r
+   -3.7365    1.1722    0.0000 H   0  0  0\r
+    4.9833    1.3563    0.0000 H   0  0  0\r
+    3.5158    1.3548    0.0000 H   0  0  0\r
+   -4.9833   -1.3563    0.0000 H   0  0  0\r
+   -3.5158   -1.3548    0.0000 H   0  0  0\r
+    5.3507   -1.4106    0.0000 H   0  0  0\r
+    6.4509    0.1488    0.0000 H   0  0  0\r
+   -5.3507    1.4106    0.0000 H   0  0  0\r
+   -6.4509   -0.1488    0.0000 H   0  0  0\r
+  1  2  1  0\r
+  1  3  1  0\r
+  2  4  1  0\r
+  3  5  1  0\r
+  4  6  1  0\r
+  5  7  1  0\r
+  6  8  1  0\r
+  7  9  1  0\r
+  8 10  1  0\r
+  1 11  1  0\r
+  1 12  1  0\r
+  2 13  1  0\r
+  2 14  1  0\r
+  3 15  1  0\r
+  4 16  1  0\r
+  5 17  1  0\r
+  5 18  1  0\r
+  6 19  1  0\r
+  6 20  1  0\r
+  7 21  1  0\r
+  7 22  1  0\r
+  8 23  1  0\r
+  8 24  1  0\r
+  9 25  1  0\r
+  9 26  1  0\r
+ 10 27  1  0\r
+ 10 28  1  0\r
+M  END\r
+>  <Ames test categorisation>\r
+mutagen\r
+\r
+$$$$\r
+2849-98-1\r
+Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.\r
+\r
+ 27 26                          1 V2000\r
+    1.8090   -0.3825   -0.0013 C   0  0  0\r
+    0.6256    0.2631   -0.0003 O   0  0  0\r
+    3.0635    0.3828   -0.0004 C   0  0  0\r
+    1.8383   -1.5975    0.0022 O   0  0  0\r
+   -0.6139   -0.4931   -0.0011 C   0  0  0\r
+    3.0270    1.8894    0.0015 C   0  0  0\r
+    4.2317   -0.2546   -0.0014 C   0  0  0\r
+   -1.8005    0.4728    0.0002 C   0  0  0\r
+   -3.1067   -0.3240   -0.0006 C   0  0  0\r
+   -4.2933    0.6418    0.0007 C   0  0  0\r
+   -5.5994   -0.1550   -0.0001 C   0  0  0\r
+   -1.4119   -1.2736    0.0000 H   0  0  0\r
+    0.0714   -1.3742    0.0000 H   0  0  0\r
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+    3.0000    3.0053    0.0000 H   0  0  0\r
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+    4.2586   -1.3705    0.0000 H   0  0  0\r
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+   -1.0025    1.2533    0.0000 H   0  0  0\r
+   -2.4858    1.3539    0.0000 H   0  0  0\r
+   -3.9047   -1.1045    0.0000 H   0  0  0\r
+   -2.4214   -1.2051    0.0000 H   0  0  0\r
+   -3.4953    1.4223    0.0000 H   0  0  0\r
+   -4.9786    1.5229    0.0000 H   0  0  0\r
+   -6.1807    0.7979    0.0000 H   0  0  0\r
+   -6.5523   -0.7363    0.0000 H   0  0  0\r
+   -5.0181   -1.1079    0.0000 H   0  0  0\r
+  2  1  1  0\r
+  3  1  1  0\r
+  4  1  2  0\r
+  5  2  1  0\r
+  6  3  1  0\r
+  7  3  2  0\r
+  8  5  1  0\r
+  9  8  1  0\r
+ 10  9  1  0\r
+ 11 10  1  0\r
+  5 12  1  0\r
+  5 13  1  0\r
+  6 14  1  0\r
+  6 15  1  0\r
+  6 16  1  0\r
+  7 17  1  0\r
+  7 18  1  0\r
+  8 19  1  0\r
+  8 20  1  0\r
+  9 21  1  0\r
+  9 22  1  0\r
+ 10 23  1  0\r
+ 10 24  1  0\r
+ 11 25  1  0\r
+ 11 26  1  0\r
+ 11 27  1  0\r
+M  END\r
+>  <Ames test categorisation>\r
+nonmutagen\r
+\r
+$$$$\r
+16423-19-1\r
+Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.\r
+\r
+ 35 36                          1 V2000\r
+    0.0393    0.5275    0.0814 C   0  0  1\r
+   -0.3422   -0.9453   -0.0808 C   0  0  1\r
+    1.4082    0.7729   -0.5563 C   0  0  2\r
+   -1.0086    1.4045   -0.6070 C   0  0  0\r
+    0.0957    0.8547    1.4712 O   0  0  0\r
+    0.7057   -1.8223    0.6076 C   0  0  0\r
+   -1.7111   -1.1907    0.5569 C   0  0  0\r
+   -0.4026   -1.2957   -1.5689 C   0  0  0\r
+    2.4561   -0.1041    0.1320 C   0  0  0\r
+    1.7897    2.2457   -0.3942 C   0  0  0\r
+   -2.3775    1.1591    0.0308 C   0  0  0\r
+    2.0746   -1.5768   -0.0301 C   0  0  0\r
+   -2.7590   -0.3137   -0.1314 C   0  0  0\r
+    1.1403   -0.2352    0.0000 H   0  0  0\r
+   -0.1731    2.0289    0.0000 H   0  0  0\r
+   -1.4240    2.3613    0.0000 H   0  0  0\r
+    0.2729    1.8826    0.0000 H   0  0  0\r
+   -0.1298   -2.4467    0.0000 H   0  0  0\r
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+   -2.5466   -1.8151    0.0000 H   0  0  0\r
+   -1.2957   -2.1475    0.0000 H   0  0  0\r
+   -1.4305   -1.1185    0.0000 H   0  0  0\r
+   -0.5798   -2.3236    0.0000 H   0  0  0\r
+    0.6253   -1.4729    0.0000 H   0  0  0\r
+    3.4163   -0.5115    0.0000 H   0  0  0\r
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+    2.7994    1.9842    0.0000 H   0  0  0\r
+    2.0512    3.2554    0.0000 H   0  0  0\r
+    0.7800    2.5072    0.0000 H   0  0  0\r
+   -2.4127    2.2015    0.0000 H   0  0  0\r
+   -3.4143    1.2734    0.0000 H   0  0  0\r
+    2.1099   -2.6192    0.0000 H   0  0  0\r
+    3.1114   -1.6911    0.0000 H   0  0  0\r
+   -3.7192    0.0937    0.0000 H   0  0  0\r
+   -3.3033   -1.2034    0.0000 H   0  0  0\r
+  1  2  1  0\r
+  1  3  1  0\r
+  1  4  1  0\r
+  1  5  1  0\r
+  2  6  1  0\r
+  2  7  1  0\r
+  2  8  1  0\r
+  3  9  1  0\r
+  3 10  1  0\r
+  4 11  1  0\r
+  6 12  1  0\r
+  7 13  1  0\r
+  9 12  1  0\r
+ 11 13  1  0\r
+  3 14  1  0\r
+  4 15  1  0\r
+  4 16  1  0\r
+  5 17  1  0\r
+  6 18  1  0\r
+  6 19  1  0\r
+  7 20  1  0\r
+  7 21  1  0\r
+  8 22  1  0\r
+  8 23  1  0\r
+  8 24  1  0\r
+  9 25  1  0\r
+  9 26  1  0\r
+ 10 27  1  0\r
+ 10 28  1  0\r
+ 10 29  1  0\r
+ 11 30  1  0\r
+ 11 31  1  0\r
+ 12 32  1  0\r
+ 12 33  1  0\r
+ 13 34  1  0\r
+ 13 35  1  0\r
+M  END\r
+>  <Ames test categorisation>\r
+nonmutagen\r
+\r
+$$$$\r
+97-90-5\r
+Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.\r
+\r
+ 28 27                          1 V2000\r
+    2.6930   -0.2673   -0.1628 C   0  0  0\r
+    1.4108   -0.4809    0.1942 O   0  0  0\r
+    3.3973    0.9325    0.3102 C   0  0  0\r
+    3.2681   -1.0696   -0.8718 O   0  0  0\r
+    0.7149   -1.6664   -0.2732 C   0  0  0\r
+    2.6861    1.9242    1.1944 C   0  0  0\r
+    4.6632    1.1434   -0.0422 C   0  0  0\r
+   -0.7147   -1.6667    0.2719 C   0  0  0\r
+   -1.4109   -0.4812   -0.1951 O   0  0  0\r
+   -2.6932   -0.2680    0.1620 C   0  0  0\r
+   -3.3978    0.9318   -0.3106 C   0  0  0\r
+   -3.2665   -1.0682    0.8748 O   0  0  0\r
+   -2.6869    1.9240   -1.1944 C   0  0  0\r
+   -4.6637    1.1422    0.0419 C   0  0  0\r
+    0.5434   -2.6261    0.0000 H   0  0  0\r
+    1.6294   -2.0042    0.0000 H   0  0  0\r
+    3.4783    2.4924    0.0000 H   0  0  0\r
+    2.1179    2.7164    0.0000 H   0  0  0\r
+    1.8939    1.3560    0.0000 H   0  0  0\r
+    5.2828    0.3907    0.0000 H   0  0  0\r
+    5.0053    2.0563    0.0000 H   0  0  0\r
+   -1.6291   -2.0047    0.0000 H   0  0  0\r
+   -0.5429   -2.6263    0.0000 H   0  0  0\r
+   -1.8944    1.3562    0.0000 H   0  0  0\r
+   -2.1191    2.7165    0.0000 H   0  0  0\r
+   -3.4794    2.4918    0.0000 H   0  0  0\r
+   -5.0061    2.0550    0.0000 H   0  0  0\r
+   -5.2830    0.3893    0.0000 H   0  0  0\r
+  1  2  1  0\r
+  1  3  1  0\r
+  1  4  2  0\r
+  2  5  1  0\r
+  3  6  1  0\r
+  3  7  2  0\r
+  5  8  1  0\r
+  8  9  1  0\r
+  9 10  1  0\r
+ 10 11  1  0\r
+ 10 12  2  0\r
+ 11 13  1  0\r
+ 11 14  2  0\r
+  5 15  1  0\r
+  5 16  1  0\r
+  6 17  1  0\r
+  6 18  1  0\r
+  6 19  1  0\r
+  7 20  1  0\r
+  7 21  1  0\r
+  8 22  1  0\r
+  8 23  1  0\r
+ 13 24  1  0\r
+ 13 25  1  0\r
+ 13 26  1  0\r
+ 14 27  1  0\r
+ 14 28  1  0\r
+M  END\r
+>  <Ames test categorisation>\r
+nonmutagen\r
+\r
+$$$$\r
+50438-75-0\r
+Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.\r
+\r
+ 27 27                          1 V2000\r
+   -1.6038    0.0001    0.0295 C   0  0  0\r
+   -0.9156   -1.2021    0.1358 C   0  0  0\r
+   -0.9158    1.2021    0.1333 C   0  0  0\r
+   -2.9837   -0.0002   -0.1869 N   0  0  0\r
+    0.4495   -1.1982    0.3441 C   0  0  0\r
+    0.4496    1.1987    0.3416 C   0  0  0\r
+   -3.7078    1.2684   -0.2987 C   0  0  0\r
+   -3.7069   -1.2690   -0.3021 C   0  0  0\r
+    1.1315    0.0005    0.4469 C   0  0  0\r
+    2.6213    0.0008    0.6743 C   0  0  0\r
+    3.3430   -0.0006   -0.6748 C   0  0  0\r
+    4.7557   -0.0004   -0.4593 O   0  0  0\r
+   -1.4344   -2.0998    0.0000 H   0  0  0\r
+   -1.4348    2.0997    0.0000 H   0  0  0\r
+    0.9720   -2.0937    0.0000 H   0  0  0\r
+    0.9719    2.0944    0.0000 H   0  0  0\r
+   -2.8073    1.7824    0.0000 H   0  0  0\r
+   -4.2218    2.1689    0.0000 H   0  0  0\r
+   -4.6083    0.7544    0.0000 H   0  0  0\r
+   -4.6077   -0.7556    0.0000 H   0  0  0\r
+   -4.2203   -2.1698    0.0000 H   0  0  0\r
+   -2.8061   -1.7824    0.0000 H   0  0  0\r
+    3.1408    0.8981    0.0000 H   0  0  0\r
+    2.1033    0.8990    0.0000 H   0  0  0\r
+    2.8235   -0.8979    0.0000 H   0  0  0\r
+    3.8609   -0.8988    0.0000 H   0  0  0\r
+    5.7925   -0.0003    0.0000 H   0  0  0\r
+  1  2  1  0\r
+  1  3  2  0\r
+  1  4  1  0\r
+  2  5  2  0\r
+  3  6  1  0\r
+  4  7  1  0\r
+  4  8  1  0\r
+  5  9  1  0\r
+  9 10  1  0\r
+ 10 11  1  0\r
+ 11 12  1  0\r
+  6  9  2  0\r
+  2 13  1  0\r
+  3 14  1  0\r
+  5 15  1  0\r
+  6 16  1  0\r
+  7 17  1  0\r
+  7 18  1  0\r
+  7 19  1  0\r
+  8 20  1  0\r
+  8 21  1  0\r
+  8 22  1  0\r
+ 10 23  1  0\r
+ 10 24  1  0\r
+ 11 25  1  0\r
+ 11 26  1  0\r
+ 12 27  1  0\r
+M  END\r
+>  <Ames test categorisation>\r
+mutagen\r
+\r
+$$$$\r
+126983-60-6\r
+Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.\r
+\r
+ 30 33                          1 V2000\r
+    0.6345   -0.2313   -0.0015 C   0  0  0\r
+   -0.7632   -0.3130   -0.0013 C   0  0  0\r
+    1.2442    1.0321    0.0000 C   0  0  0\r
+    1.4686   -1.4493    0.0029 C   0  0  0\r
+   -1.4919    0.8978    0.0003 C   0  0  0\r
+   -1.6526   -1.3571   -0.0025 N   0  0  0\r
+    2.7241    1.1152   -0.0002 C   0  0  0\r
+    0.5110    2.1388    0.0019 N   0  0  0\r
+    2.9313   -1.3364    0.0026 C   0  0  0\r
+    0.9432   -2.5462    0.0064 O   0  0  0\r
+   -2.9128    0.5212    0.0002 C   0  0  0\r
+   -0.8051    2.1074    0.0021 C   0  0  0\r
+   -2.9479   -0.8864   -0.0016 C   0  0  0\r
+    3.5294   -0.1276   -0.0019 C   0  0  0\r
+    3.2739    2.1978    0.0006 O   0  0  0\r
+   -4.1092    1.2304    0.0010 C   0  0  0\r
+   -4.1943   -1.5093   -0.0025 C   0  0  0\r
+    4.8807   -0.0495   -0.0025 O   0  0  0\r
+   -5.2612    0.5903    0.0000 N   0  0  0\r
+   -5.3310   -0.7299   -0.0016 C   0  0  0\r
+    5.3720   -1.3914   -0.0041 C   0  0  0\r
+   -1.3861   -2.3657    0.0000 H   0  0  0\r
+    3.5153   -2.2008    0.0000 H   0  0  0\r
+   -1.3406    3.0026    0.0000 H   0  0  0\r
+   -4.0946    2.2735    0.0000 H   0  0  0\r
+   -4.2660   -2.5500    0.0000 H   0  0  0\r
+   -6.2664   -1.1916    0.0000 H   0  0  0\r
+    4.3924   -1.7500    0.0000 H   0  0  0\r
+    5.7306   -2.3710    0.0000 H   0  0  0\r
+    6.3516   -1.0328    0.0000 H   0  0  0\r
+  1  2  1  0\r
+  1  3  2  0\r
+  1  4  1  0\r
+  2  5  2  0\r
+  2  6  1  0\r
+  3  7  1  0\r
+  3  8  1  0\r
+  4  9  1  0\r
+  4 10  2  0\r
+  5 11  1  0\r
+  5 12  1  0\r
+  6 13  1  0\r
+  7 14  1  0\r
+  7 15  2  0\r
+ 11 16  1  0\r
+ 13 17  1  0\r
+ 14 18  1  0\r
+ 16 19  2  0\r
+ 17 20  2  0\r
+ 18 21  1  0\r
+  8 12  2  0\r
+  9 14  2  0\r
+ 11 13  2  0\r
+ 19 20  1  0\r
+  6 22  1  0\r
+  9 23  1  0\r
+ 12 24  1  0\r
+ 16 25  1  0\r
+ 17 26  1  0\r
+ 20 27  1  0\r
+ 21 28  1  0\r
+ 21 29  1  0\r
+ 21 30  1  0\r
+M  END\r
+>  <Ames test categorisation>\r
+mutagen\r
+\r
+$$$$\r
+89-98-5\r
+Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.\r
+\r
+ 14 14                          1 V2000\r
+    0.4274    0.5159    0.0020 C   0  0  0\r
+   -0.4399   -0.5829    0.0001 C   0  0  0\r
+    1.8106    0.3054    0.0021 C   0  0  0\r
+   -0.1124    1.8840   -0.0023 C   0  0  0\r
+    0.0759   -1.8639   -0.0016 C   0  0  0\r
+   -2.1582   -0.3360    0.0005 Cl  0  0  0\r
+    2.3086   -0.9796    0.0004 C   0  0  0\r
+    0.6420    2.8334   -0.0006 O   0  0  0\r
+    1.4447   -2.0618   -0.0014 C   0  0  0\r
+    2.4604    1.1155    0.0000 H   0  0  0\r
+   -1.1396    2.0370    0.0000 H   0  0  0\r
+   -0.5656   -2.6806    0.0000 H   0  0  0\r
+    3.3352   -1.1368    0.0000 H   0  0  0\r
+    1.8268   -3.0275    0.0000 H   0  0  0\r
+  1  2  2  0\r
+  1  3  1  0\r
+  1  4  1  0\r
+  2  5  1  0\r
+  2  6  1  0\r
+  3  7  2  0\r
+  4  8  2  0\r
+  5  9  2  0\r
+  7  9  1  0\r
+  3 10  1  0\r
+  4 11  1  0\r
+  5 12  1  0\r
+  7 13  1  0\r
+  9 14  1  0\r
+M  END\r
+>  <Ames test categorisation>\r
+nonmutagen\r
+\r
+$$$$\r
+82-62-2\r
+Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.\r
+\r
+ 15 15                          1 V2000\r
+    0.1578   -0.9136   -0.0025 C   0  0  0\r
+   -1.2229   -0.7878   -0.0018 C   0  0  0\r
+    0.9542    0.2170   -0.0014 C   0  0  0\r
+    0.7791   -2.2571    0.0016 N   0  3  0\r
+   -1.8034    0.4734    0.0001 C   0  0  0\r
+   -2.0074   -1.8981   -0.0025 O   0  0  0\r
+    0.3735    1.4738    0.0000 C   0  0  0\r
+    2.6832    0.0602   -0.0023 Cl  0  0  0\r
+    1.0338   -2.8136   -1.0514 O   0  0  0\r
+    1.0356   -2.8062    1.0582 O   0  5  0\r
+   -1.0043    1.6012    0.0012 C   0  0  0\r
+   -3.5320    0.6339    0.0004 Cl  0  0  0\r
+    1.3752    2.8917    0.0008 Cl  0  0  0\r
+   -2.6066   -2.7461    0.0000 H   0  0  0\r
+   -1.4382    2.5446    0.0000 H   0  0  0\r
+  1  2  2  0\r
+  1  3  1  0\r
+  1  4  1  0\r
+  2  5  1  0\r
+  2  6  1  0\r
+  3  7  2  0\r
+  3  8  1  0\r
+  4  9  2  0\r
+  4 10  1  0\r
+  5 11  2  0\r
+  5 12  1  0\r
+  7 13  1  0\r
+  7 11  1  0\r
+  6 14  1  0\r
+ 11 15  1  0\r
+M  END\r
+>  <Ames test categorisation>\r
+nonmutagen\r
+\r
+$$$$\r
+97606-15-0\r
+Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.\r
+\r
+ 20 23                          1 V2000\r
+    0.7613   -2.0826   -0.3388 C   0  0  0\r
+   -0.7613   -2.0826   -0.3387 C   0  0  0\r
+    1.4979   -0.7558   -0.1800 C   0  0  0\r
+    0.0002   -2.3420    0.8905 N   0  0  0\r
+   -1.4979   -0.7559   -0.1794 C   0  0  0\r
+    0.7591    0.4190   -0.0391 C   0  0  0\r
+    2.8668   -0.6724   -0.1698 C   0  0  0\r
+   -0.7591    0.4189   -0.0386 C   0  0  0\r
+   -2.8668   -0.6725   -0.1696 C   0  0  0\r
+    1.4647    1.6043    0.1032 C   0  0  0\r
+    3.1589    1.0690    0.0392 S   0  0  0\r
+   -1.4647    1.6043    0.1033 C   0  0  0\r
+   -3.1589    1.0690    0.0390 S   0  0  0\r
+    1.4600   -2.9185    0.0000 H   0  0  0\r
+   -1.4599   -2.9186    0.0000 H   0  0  0\r
+    0.0003   -3.4315    0.0000 H   0  0  0\r
+    3.5955   -1.4823    0.0000 H   0  0  0\r
+   -3.5956   -1.4824    0.0000 H   0  0  0\r
+    1.0769    2.6224    0.0000 H   0  0  0\r
+   -1.0769    2.6224    0.0000 H   0  0  0\r
+  1  2  1  0\r
+  1  3  1  0\r
+  1  4  1  0\r
+  2  5  1  0\r
+  3  6  1  0\r
+  3  7  2  0\r
+  5  8  1  0\r
+  5  9  2  0\r
+  6 10  2  0\r
+  7 11  1  0\r
+  8 12  2  0\r
+  9 13  1  0\r
+  2  4  1  0\r
+  6  8  1  0\r
+ 10 11  1  0\r
+ 12 13  1  0\r
+  1 14  1  0\r
+  2 15  1  0\r
+  4 16  1  0\r
+  7 17  1  0\r
+  9 18  1  0\r
+ 10 19  1  0\r
+ 12 20  1  0\r
+M  END\r
+>  <Ames test categorisation>\r
+mutagen\r
+\r
+$$$$\r
+91-53-2\r
+Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.\r
+\r
+ 35 36                          1 V2000\r
+   -0.6003    0.7999    0.3483 C   0  0  0\r
+   -0.3745   -0.5691    0.1345 C   0  0  0\r
+    0.4644    1.6801    0.3915 C   0  0  0\r
+   -1.9204    1.2342    0.5074 N   0  0  0\r
+    0.9240   -1.0369   -0.0393 C   0  0  0\r
+   -1.5337   -1.4829    0.1050 C   0  0  0\r
+    1.7532    1.2075    0.2196 C   0  0  0\r
+   -2.9855    0.4929   -0.1804 C   0  0  0\r
+    1.9832   -0.1448    0.0041 C   0  0  0\r
+   -2.7570   -0.9881   -0.0350 C   0  0  0\r
+   -1.3286   -2.9704    0.2326 C   0  0  0\r
+   -4.3381    0.8608    0.4327 C   0  0  0\r
+   -2.9837    0.8617   -1.6653 C   0  0  0\r
+    3.2550   -0.5961   -0.1648 O   0  0  0\r
+    4.1133    0.5423   -0.0693 C   0  0  0\r
+    5.5671    0.1017   -0.2514 C   0  0  0\r
+    0.2890    2.7038    0.0000 H   0  0  0\r
+   -2.0706    2.2619    0.0000 H   0  0  0\r
+    1.1070   -2.0593    0.0000 H   0  0  0\r
+    2.5517    1.8717    0.0000 H   0  0  0\r
+   -3.5712   -1.6329    0.0000 H   0  0  0\r
+   -2.3575   -3.1123    0.0000 H   0  0  0\r
+   -1.1867   -3.9993    0.0000 H   0  0  0\r
+   -0.2997   -2.8285    0.0000 H   0  0  0\r
+   -4.0655    1.8630    0.0000 H   0  0  0\r
+   -5.3403    1.1334    0.0000 H   0  0  0\r
+   -4.6107   -0.1414    0.0000 H   0  0  0\r
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+    6.5611   -0.1995    0.0000 H   0  0  0\r
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+  1  2  2  0\r
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+M  END\r
+>  <Ames test categorisation>\r
+nonmutagen\r
+\r
+$$$$\r
+117-81-7\r
+Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.\r
+\r
+ 66 66                          1 V2000\r
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+M  END\r
+>  <Ames test categorisation>\r
+nonmutagen\r
+\r
+$$$$\r
+1928-43-4\r
+Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.\r
+\r
+ 43 43                          1 V2000\r
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+    4.8067   -0.3399   -0.1393 C   0  0  0\r
+    3.5683   -2.7263    0.1726 Cl  0  0  0\r
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+M  END\r
+>  <Ames test categorisation>\r
+nonmutagen\r
+\r
+$$$$\r
+129927-33-9\r
+Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.\r
+\r
+ 68 67                          1 V2000\r
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+   -3.6830   -0.0349    0.0000 H   0  0  0\r
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+   -4.0512   -1.7547    0.0000 H   0  0  0\r
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+   -3.9898   -6.5640    0.0000 H   0  0  0\r
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+   14.3476   -0.8541    0.0000 H   0  0  0\r
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+  1  5  1  0\r
+  2  6  2  0\r
+  2  7  1  0\r
+  3  8  1  0\r
+  3  9  1  0\r
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+  5 32  1  0\r
+  6 33  1  0\r
+  7 34  1  0\r
+  8 35  1  0\r
+  8 36  1  0\r
+  9 37  1  0\r
+  9 38  1  0\r
+ 12 39  1  0\r
+ 13 40  1  0\r
+ 14 41  1  0\r
+ 14 42  1  0\r
+ 15 43  1  0\r
+ 15 44  1  0\r
+ 17 45  1  0\r
+ 18 46  1  0\r
+ 18 47  1  0\r
+ 20 48  1  0\r
+ 20 49  1  0\r
+ 20 50  1  0\r
+ 21 51  1  0\r
+ 21 52  1  0\r
+ 21 53  1  0\r
+ 23 54  1  0\r
+ 23 55  1  0\r
+ 25 56  1  0\r
+ 25 57  1  0\r
+ 26 58  1  0\r
+ 26 59  1  0\r
+ 27 60  1  0\r
+ 27 61  1  0\r
+ 27 62  1  0\r
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+ 29 66  1  0\r
+ 29 67  1  0\r
+ 30 68  1  0\r
+M  END\r
+>  <Ames test categorisation>\r
+nonmutagen\r
+\r
+$$$$\r
+4513-36-4\r
+Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.\r
+\r
+ 24 23                          1 V2000\r
+   -0.2616   -0.2836    0.0000 O   0  0  0\r
+   -1.5417    0.1388    0.0000 C   0  0  0\r
+    0.8219    0.6831    0.0000 C   0  0  0\r
+   -2.6382   -0.8395    0.0000 C   0  0  0\r
+   -1.7890    1.3287    0.0000 O   0  0  0\r
+    2.1627   -0.0538    0.0000 C   0  0  0\r
+   -3.9020   -0.4225    0.0000 C   0  0  0\r
+    3.3044    0.9648    0.0000 C   0  0  0\r
+    2.2623   -0.9315    1.2493 C   0  0  0\r
+    2.2623   -0.9315   -1.2492 C   0  0  0\r
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+   -4.6564   -1.0956    0.0000 H   0  0  0\r
+    3.9775    0.2104    0.0000 H   0  0  0\r
+    4.0588    1.6379    0.0000 H   0  0  0\r
+    2.6313    1.7192    0.0000 H   0  0  0\r
+    1.2578   -1.0455    0.0000 H   0  0  0\r
+    2.3763   -1.9360    0.0000 H   0  0  0\r
+    3.2668   -0.8175    0.0000 H   0  0  0\r
+    1.2578   -1.0455    0.0000 H   0  0  0\r
+    2.3763   -1.9360    0.0000 H   0  0  0\r
+    3.2668   -0.8175    0.0000 H   0  0  0\r
+  2  1  1  0\r
+  3  1  1  0\r
+  4  2  1  0\r
+  5  2  2  0\r
+  6  3  1  0\r
+  7  4  2  0\r
+  8  6  1  0\r
+  9  6  1  0\r
+ 10  6  1  0\r
+  3 11  1  0\r
+  3 12  1  0\r
+  4 13  1  0\r
+  7 14  1  0\r
+  7 15  1  0\r
+  8 16  1  0\r
+  8 17  1  0\r
+  8 18  1  0\r
+  9 19  1  0\r
+  9 20  1  0\r
+  9 21  1  0\r
+ 10 22  1  0\r
+ 10 23  1  0\r
+ 10 24  1  0\r
+M  END\r
+>  <Ames test categorisation>\r
+nonmutagen\r
+\r
+$$$$\r
+507-55-1\r
+Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.\r
+\r
+ 11 10                          1 V2000\r
+    0.1350   -0.3824    0.0396 C   0  0  0\r
+   -1.1654    0.3824   -0.2151 C   0  0  0\r
+    1.3247    0.4749   -0.3970 C   0  0  0\r
+    0.2455   -0.6734    1.4035 F   0  0  0\r
+    0.1259   -1.5746   -0.6924 F   0  0  0\r
+   -1.1562    1.5746    0.5169 F   0  0  0\r
+   -1.2759    0.6734   -1.5790 F   0  0  0\r
+   -2.5674   -0.6279    0.2994 Cl  0  0  0\r
+    1.3339    1.6671    0.3351 F   0  0  0\r
+    2.8572   -0.4264   -0.0969 Cl  0  0  0\r
+    0.5304    0.8855    0.0000 H   0  0  0\r
+  1  2  1  0\r
+  1  3  1  0\r
+  1  4  1  0\r
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+  3  9  1  0\r
+  3 10  1  0\r
+  3 11  1  0\r
+M  END\r
+>  <Ames test categorisation>\r
+nonmutagen\r
+\r
+$$$$\r
+5042-54-6\r
+Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.\r
+\r
+ 31 32                          1 V2000\r
+    0.9818   -0.3097    0.0048 C   0  0  0\r
+    1.8433   -1.4220    0.0031 C   0  0  0\r
+    1.5180    0.9831    0.0028 C   0  0  0\r
+   -0.3674   -0.4901    0.0027 N   0  0  0\r
+    3.2149   -1.2255   -0.0006 C   0  0  0\r
+    1.3212   -2.7114    0.0046 N   0  0  0\r
+    2.8713    1.1632   -0.0008 C   0  0  0\r
+   -1.1547    0.5317    0.0043 N   0  0  0\r
+    3.7291    0.0647   -0.0026 C   0  0  0\r
+    3.4411    2.5584   -0.0030 C   0  0  0\r
+   -2.5101    0.3505    0.0022 C   0  0  0\r
+    5.1075    0.2615   -0.0058 N   0  0  0\r
+   -3.3659    1.4548    0.0040 C   0  0  0\r
+   -3.0459   -0.9403   -0.0074 C   0  0  0\r
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+   -5.2554   -0.0166   -0.0019 C   0  0  0\r
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+    3.8345    3.5216    0.0000 H   0  0  0\r
+    2.4779    2.9518    0.0000 H   0  0  0\r
+    5.7498   -0.5570    0.0000 H   0  0  0\r
+    5.4951    1.2270    0.0000 H   0  0  0\r
+   -2.9738    2.4185    0.0000 H   0  0  0\r
+   -2.4143   -1.7671    0.0000 H   0  0  0\r
+   -5.3706    2.0856    0.0000 H   0  0  0\r
+   -4.8139   -2.0757    0.0000 H   0  0  0\r
+   -6.2867   -0.1545    0.0000 H   0  0  0\r
+  1  2  2  0\r
+  1  3  1  0\r
+  1  4  1  0\r
+  2  5  1  0\r
+  2  6  1  0\r
+  3  7  2  0\r
+  4  8  2  0\r
+  5  9  2  0\r
+  7 10  1  0\r
+  8 11  1  0\r
+  9 12  1  0\r
+ 11 13  2  0\r
+ 11 14  1  0\r
+ 13 15  1  0\r
+ 14 16  2  0\r
+ 15 17  2  0\r
+  7  9  1  0\r
+ 16 17  1  0\r
+  3 18  1  0\r
+  5 19  1  0\r
+  6 20  1  0\r
+  6 21  1  0\r
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+ 15 29  1  0\r
+ 16 30  1  0\r
+ 17 31  1  0\r
+M  END\r
+>  <Ames test categorisation>\r
+mutagen\r
+\r
+$$$$\r
+396-01-0\r
+Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.\r
+\r
+ 30 32                          1 V2000\r
+   -1.6741    0.8713    0.0353 C   0  0  0\r
+   -1.2399   -0.4761   -0.0277 C   0  0  0\r
+   -0.7730    1.8573    0.0847 N   0  0  0\r
+   -2.9892    1.1242    0.0494 N   0  0  0\r
+    0.0611   -0.7603   -0.0378 N   0  0  0\r
+   -2.2243   -1.4963   -0.0785 C   0  0  0\r
+    0.5156    1.5670    0.0743 C   0  0  0\r
+   -3.8635    0.1356    0.0053 C   0  0  0\r
+    0.9453    0.2201    0.0113 C   0  0  0\r
+   -3.5009   -1.1415   -0.0646 N   0  0  0\r
+   -1.8616   -2.8248   -0.1412 N   0  0  0\r
+    1.4497    2.5847    0.1248 N   0  0  0\r
+   -5.2111    0.4417    0.0224 N   0  0  0\r
+    2.3937   -0.0920    0.0003 C   0  0  0\r
+    3.0143   -0.5754    1.1515 C   0  0  0\r
+    3.1406    0.0913   -1.1633 C   0  0  0\r
+    4.3637   -0.8643    1.1351 C   0  0  0\r
+    4.4889   -0.2010   -1.1674 C   0  0  0\r
+    5.1004   -0.6751   -0.0202 C   0  0  0\r
+   -2.5666   -3.5365    0.0000 H   0  0  0\r
+   -0.8927   -3.0795    0.0000 H   0  0  0\r
+    2.4276    2.3671    0.0000 H   0  0  0\r
+    1.1492    3.5404    0.0000 H   0  0  0\r
+   -5.5074    1.3987    0.0000 H   0  0  0\r
+   -5.8917   -0.2934    0.0000 H   0  0  0\r
+    2.5909   -1.4833    0.0000 H   0  0  0\r
+    3.1270    1.0930    0.0000 H   0  0  0\r
+    4.3840   -1.8659    0.0000 H   0  0  0\r
+    4.9124    0.7069    0.0000 H   0  0  0\r
+    6.0814   -0.8781    0.0000 H   0  0  0\r
+  1  2  1  0\r
+  1  3  1  0\r
+  1  4  2  0\r
+  2  5  1  0\r
+  2  6  2  0\r
+  3  7  2  0\r
+  4  8  1  0\r
+  5  9  2  0\r
+  6 10  1  0\r
+  6 11  1  0\r
+  7 12  1  0\r
+  8 13  1  0\r
+  9 14  1  0\r
+ 14 15  2  0\r
+ 14 16  1  0\r
+ 15 17  1  0\r
+ 16 18  2  0\r
+ 17 19  2  0\r
+  7  9  1  0\r
+  8 10  2  0\r
+ 18 19  1  0\r
+ 11 20  1  0\r
+ 11 21  1  0\r
+ 12 22  1  0\r
+ 12 23  1  0\r
+ 13 24  1  0\r
+ 13 25  1  0\r
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+ 16 27  1  0\r
+ 17 28  1  0\r
+ 18 29  1  0\r
+ 19 30  1  0\r
+M  END\r
+>  <Ames test categorisation>\r
+nonmutagen\r
+\r
+$$$$\r
+120-61-6\r
+Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.\r
+\r
+ 24 24                          1 V2000\r
+   -1.3870    0.1721   -0.0006 C   0  0  0\r
+   -2.8664    0.1721   -0.0006 C   0  0  0\r
+   -0.6889    1.3812    0.0004 C   0  0  0\r
+   -0.6892   -1.0367    0.0043 C   0  0  0\r
+   -3.5399   -0.9943   -0.0016 O   0  0  0\r
+   -3.4736    1.2238    0.0002 O   0  0  0\r
+    0.6889    1.3812    0.0004 C   0  0  0\r
+    0.6891   -1.0367    0.0043 C   0  0  0\r
+   -4.9919   -0.9943   -0.0016 C   0  0  0\r
+    1.3870    0.1721   -0.0006 C   0  0  0\r
+    2.8664    0.1721   -0.0006 C   0  0  0\r
+    3.5399   -0.9943   -0.0016 O   0  0  0\r
+    3.4736    1.2238    0.0002 O   0  0  0\r
+    4.9919   -0.9943   -0.0016 C   0  0  0\r
+   -1.2123    2.2878    0.0000 H   0  0  0\r
+   -1.2126   -1.9433    0.0000 H   0  0  0\r
+    1.2123    2.2878    0.0000 H   0  0  0\r
+    1.2125   -1.9433    0.0000 H   0  0  0\r
+   -4.9919    0.0525    0.0000 H   0  0  0\r
+   -6.0387   -0.9943    0.0000 H   0  0  0\r
+   -4.9919   -2.0411    0.0000 H   0  0  0\r
+    4.9919   -2.0411    0.0000 H   0  0  0\r
+    6.0387   -0.9943    0.0000 H   0  0  0\r
+    4.9919    0.0525    0.0000 H   0  0  0\r
+  1  2  1  0\r
+  1  3  1  0\r
+  1  4  2  0\r
+  2  5  1  0\r
+  2  6  2  0\r
+  3  7  2  0\r
+  4  8  1  0\r
+  5  9  1  0\r
+  7 10  1  0\r
+ 10 11  1  0\r
+ 11 12  1  0\r
+ 11 13  2  0\r
+ 12 14  1  0\r
+  8 10  2  0\r
+  3 15  1  0\r
+  4 16  1  0\r
+  7 17  1  0\r
+  8 18  1  0\r
+  9 19  1  0\r
+  9 20  1  0\r
+  9 21  1  0\r
+ 14 22  1  0\r
+ 14 23  1  0\r
+ 14 24  1  0\r
+M  END\r
+>  <Ames test categorisation>\r
+nonmutagen\r
+\r
+$$$$\r
+952-23-8\r
+Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.\r
+\r
+ 29 30                          1 V2000\r
+   -2.4952    1.1214   -0.4350 C   0  0  0\r
+   -3.1262    0.0016    0.2711 C   0  0  0\r
+   -1.1754    1.0033   -0.8758 C   0  0  0\r
+   -3.2334    2.3036   -0.6517 C   0  0  0\r
+   -2.4552   -1.1247    0.4959 N   0  0  0\r
+   -4.4579    0.1458    0.7059 C   0  0  0\r
+   -0.5048   -0.1953   -0.6204 C   0  0  0\r
+   -4.5114    2.3900   -0.2067 C   0  0  0\r
+   -1.1966   -1.2749    0.0914 C   0  0  0\r
+   -5.1279    1.3218    0.4603 C   0  0  0\r
+    0.8289   -0.3873   -1.0357 C   0  0  0\r
+   -0.4991   -2.4728    0.3371 C   0  0  0\r
+   -6.4449    1.4581    0.8924 N   0  0  0\r
+    1.4529   -1.5627   -0.7732 C   0  0  0\r
+    0.8019   -2.6005   -0.0922 C   0  0  0\r
+    1.4866   -3.7881    0.1539 N   0  0  0\r
+   10.8047    1.4351    0.3475 Cl  0  0  0\r
+   -0.6352    1.8370    0.0000 H   0  0  0\r
+   -2.7226    3.1556    0.0000 H   0  0  0\r
+   -5.0026   -0.6849    0.0000 H   0  0  0\r
+   -4.9789    3.2666    0.0000 H   0  0  0\r
+    1.4003    0.4253    0.0000 H   0  0  0\r
+   -1.0357   -3.3088    0.0000 H   0  0  0\r
+   -6.8504    2.3650    0.0000 H   0  0  0\r
+   -7.0275    0.6535    0.0000 H   0  0  0\r
+    2.4457   -1.5986    0.0000 H   0  0  0\r
+    0.9894   -4.6481    0.0000 H   0  0  0\r
+    2.4800   -3.7887    0.0000 H   0  0  0\r
+   11.7981    1.4351    0.0000 H   0  0  0\r
+  1  2  1  0\r
+  1  3  2  0\r
+  1  4  1  0\r
+  2  5  2  0\r
+  2  6  1  0\r
+  3  7  1  0\r
+  4  8  2  0\r
+  5  9  1  0\r
+  6 10  2  0\r
+  7 11  2  0\r
+  9 12  2  0\r
+ 10 13  1  0\r
+ 11 14  1  0\r
+ 12 15  1  0\r
+ 15 16  1  0\r
+  7  9  1  0\r
+  8 10  1  0\r
+ 14 15  2  0\r
+  3 18  1  0\r
+  4 19  1  0\r
+  6 20  1  0\r
+  8 21  1  0\r
+ 11 22  1  0\r
+ 12 23  1  0\r
+ 13 24  1  0\r
+ 13 25  1  0\r
+ 14 26  1  0\r
+ 16 27  1  0\r
+ 16 28  1  0\r
+ 17 29  1  0\r
+M  END\r
+>  <Ames test categorisation>\r
+mutagen\r
+\r
+$$$$\r
+3807-77-0\r
+Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.\r
+\r
+ 24 26                          1 V2000\r
+    0.9650    0.1339    0.0142 C   0  0  0\r
+   -0.3632    0.5480    0.0303 C   0  0  0\r
+    1.8942    1.1670    0.0770 C   0  0  0\r
+    1.3379   -1.2198   -0.0652 C   0  0  0\r
+   -1.3306   -0.4077   -0.0286 C   0  0  0\r
+   -0.3650    2.0550    0.1150 C   0  0  0\r
+    1.1241    2.4632    0.1459 C   0  0  0\r
+    3.2156    0.8387    0.0653 C   0  0  0\r
+    0.3140   -2.1794   -0.1298 C   0  0  0\r
+    2.7090   -1.5228   -0.0751 C   0  0  0\r
+   -0.9842   -1.7592   -0.1020 C   0  0  0\r
+   -2.7571   -0.0132   -0.0143 N   0  3  0\r
+    3.6097   -0.4991   -0.0077 C   0  0  0\r
+   -3.5441   -0.5999    0.7067 O   0  0  0\r
+   -3.1440    0.8983   -0.7236 O   0  5  0\r
+   -0.5510    3.0843    0.0000 H   0  0  0\r
+   -1.4067    1.9610    0.0000 H   0  0  0\r
+    2.0675    2.9149    0.0000 H   0  0  0\r
+    0.7585    3.4432    0.0000 H   0  0  0\r
+    3.9392    1.5940    0.0000 H   0  0  0\r
+    0.5422   -3.2002    0.0000 H   0  0  0\r
+    3.0339   -2.5170    0.0000 H   0  0  0\r
+   -1.7464   -2.4755    0.0000 H   0  0  0\r
+    4.6310   -0.7249    0.0000 H   0  0  0\r
+  1  2  1  0\r
+  1  3  2  0\r
+  1  4  1  0\r
+  2  5  2  0\r
+  2  6  1  0\r
+  3  7  1  0\r
+  3  8  1  0\r
+  4  9  1  0\r
+  4 10  2  0\r
+  5 11  1  0\r
+  5 12  1  0\r
+  8 13  2  0\r
+ 12 14  2  0\r
+ 12 15  1  0\r
+  6  7  1  0\r
+  9 11  2  0\r
+ 10 13  1  0\r
+  6 16  1  0\r
+  6 17  1  0\r
+  7 18  1  0\r
+  7 19  1  0\r
+  8 20  1  0\r
+  9 21  1  0\r
+ 10 22  1  0\r
+ 11 23  1  0\r
+ 13 24  1  0\r
+M  END\r
+>  <Ames test categorisation>\r
+mutagen\r
+\r
+$$$$\r
+612-59-9\r
+Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.\r
+\r
+ 17 18                          1 V2000\r
+   -3.2243    0.3631   -0.0005 Cl  0  0  0\r
+   -1.5329   -0.0277   -0.0013 C   0  0  0\r
+   -0.5997    0.9709    0.0004 C   0  0  0\r
+   -1.1242   -1.3611    0.0021 C   0  0  0\r
+    0.7604    0.6087    0.0002 C   0  0  0\r
+    0.1436   -1.6935    0.0021 N   0  0  0\r
+    1.1058   -0.7654   -0.0018 C   0  0  0\r
+    1.7752    1.5795    0.0014 C   0  0  0\r
+    2.4640   -1.1285   -0.0021 C   0  0  0\r
+    3.0795    1.1893    0.0006 C   0  0  0\r
+    3.4215   -0.1617   -0.0004 C   0  0  0\r
+   -0.8881    1.9759    0.0000 H   0  0  0\r
+   -1.8482   -2.1154    0.0000 H   0  0  0\r
+    1.5304    2.5960    0.0000 H   0  0  0\r
+    2.7373   -2.1377    0.0000 H   0  0  0\r
+    3.8345    1.9127    0.0000 H   0  0  0\r
+    4.4302   -0.4369    0.0000 H   0  0  0\r
+  2  1  1  0\r
+  3  2  2  0\r
+  4  2  1  0\r
+  5  3  1  0\r
+  6  4  2  0\r
+  7  5  2  0\r
+  8  5  1  0\r
+  9  7  1  0\r
+ 10  8  2  0\r
+ 11  9  2  0\r
+  6  7  1  0\r
+ 10 11  1  0\r
+  3 12  1  0\r
+  4 13  1  0\r
+  8 14  1  0\r
+  9 15  1  0\r
+ 10 16  1  0\r
+ 11 17  1  0\r
+M  END\r
+>  <Ames test categorisation>\r
+nonmutagen\r
+\r
+$$$$\r
+13675-34-8\r
+Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.\r
+\r
+ 37 36                          1 V2000\r
+   -3.6840   -0.2556    0.0000 O   0  0  0\r
+   -4.9083    0.3085    0.0000 C   0  0  0\r
+   -2.4984    0.5827    0.0000 C   0  0  0\r
+   -6.1082   -0.5399    0.0000 C   0  0  0\r
+   -5.0198    1.5187    0.0000 O   0  0  0\r
+   -1.2492   -0.3007    0.0000 C   0  0  0\r
+   -5.9699   -2.0406    0.0000 C   0  0  0\r
+   -7.3169    0.0170    0.0000 C   0  0  0\r
+    0.0000    0.5826    0.0000 C   0  0  0\r
+    1.2492   -0.3008    0.0000 C   0  0  0\r
+    2.4985    0.5826    0.0000 C   0  0  0\r
+    3.6840   -0.2558    0.0000 O   0  0  0\r
+    4.9083    0.3082    0.0000 C   0  0  0\r
+    6.1081   -0.5403    0.0000 C   0  0  0\r
+    5.0199    1.5184    0.0000 O   0  0  0\r
+    5.9698   -2.0409    0.0000 C   0  0  0\r
+    7.3169    0.0166    0.0000 C   0  0  0\r
+   -1.7688    1.4000    0.0000 H   0  0  0\r
+   -3.2280    1.4000    0.0000 H   0  0  0\r
+   -1.9788   -1.1180    0.0000 H   0  0  0\r
+   -0.5196   -1.1180    0.0000 H   0  0  0\r
+   -7.0609   -2.1411    0.0000 H   0  0  0\r
+   -5.8694   -3.1316    0.0000 H   0  0  0\r
+   -4.8789   -1.9401    0.0000 H   0  0  0\r
+   -7.4174    1.1080    0.0000 H   0  0  0\r
+   -8.2115   -0.6155    0.0000 H   0  0  0\r
+    0.7296    1.3999    0.0000 H   0  0  0\r
+   -0.7296    1.3999    0.0000 H   0  0  0\r
+    0.5196   -1.1181    0.0000 H   0  0  0\r
+    1.9788   -1.1181    0.0000 H   0  0  0\r
+    3.2281    1.3999    0.0000 H   0  0  0\r
+    1.7689    1.3999    0.0000 H   0  0  0\r
+    4.8788   -1.9404    0.0000 H   0  0  0\r
+    5.8693   -3.1319    0.0000 H   0  0  0\r
+    7.0608   -2.1414    0.0000 H   0  0  0\r
+    8.2114   -0.6159    0.0000 H   0  0  0\r
+    7.4174    1.1076    0.0000 H   0  0  0\r
+  1  2  1  0\r
+  1  3  1  0\r
+  2  4  1  0\r
+  2  5  2  0\r
+  3  6  1  0\r
+  4  7  1  0\r
+  4  8  2  0\r
+  6  9  1  0\r
+  9 10  1  0\r
+ 10 11  1  0\r
+ 11 12  1  0\r
+ 12 13  1  0\r
+ 13 14  1  0\r
+ 13 15  2  0\r
+ 14 16  1  0\r
+ 14 17  2  0\r
+  3 18  1  0\r
+  3 19  1  0\r
+  6 20  1  0\r
+  6 21  1  0\r
+  7 22  1  0\r
+  7 23  1  0\r
+  7 24  1  0\r
+  8 25  1  0\r
+  8 26  1  0\r
+  9 27  1  0\r
+  9 28  1  0\r
+ 10 29  1  0\r
+ 10 30  1  0\r
+ 11 31  1  0\r
+ 11 32  1  0\r
+ 16 33  1  0\r
+ 16 34  1  0\r
+ 16 35  1  0\r
+ 17 36  1  0\r
+ 17 37  1  0\r
+M  END\r
+>  <Ames test categorisation>\r
+nonmutagen\r
+\r
+$$$$\r
+71628-96-1\r
+Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.\r
+\r
+ 70 75                          1 V2000\r
+   -0.9770   -0.0185   -0.4594 C   0  0  0\r
+   -2.3046   -0.3945   -0.7088 C   0  0  0\r
+   -0.6530    1.3398   -0.2801 C   0  0  0\r
+    0.0777   -1.0449   -0.3914 C   0  0  0\r
+   -3.2909    0.5841   -0.7678 C   0  0  0\r
+   -2.5800   -1.7023   -0.9029 O   0  0  0\r
+    0.7417    1.7386   -0.0191 C   0  0  0\r
+   -1.6594    2.3055   -0.3519 C   0  0  0\r
+    1.4768   -0.6448   -0.1330 C   0  0  0\r
+   -0.2021   -2.2178   -0.5469 O   0  0  0\r
+   -4.7308    0.1980   -1.0161 C   0  0  0\r<