path: root/models/mutagenicity-mp2d/download/hansen.csv

ID,SMILES,Mutagenicity
2475-33-4,O=C1c2ccccc2C(=O)c3c1ccc4c3[nH]c5c6C(=O)c7ccccc7C(=O)c6c8[nH]c9c%10C(=O)c%11ccccc%11C(=O)c%10ccc9c8c45,non-mutagenic
820-75-7,NNC(=O)CNC(=O)\C=N\#N,mutagenic
2435-76-9,O=C1NC(=O)\C(=N/#N)\C=N1,mutagenic
817-99-2,NC(=O)CNC(=O)\C=N\#N,mutagenic
116539-70-9,CCCCN(CC(O)C1=C\C(=N/#N)\C(=O)C=C1)N=O,mutagenic
115-02-6,NC(COC(=O)\C=N/#N)C(=O)O,mutagenic
122341-55-3,CCN(CC(O)C1=CC(=O)\C(=N\#N)\C=C1)N=O,mutagenic
105149-00-6,CC(=O)OC1(CCC2C3C=C(Cl)C4=CC(=O)OCC4(C)C3CCC12C)C(=O)C,non-mutagenic
108-78-1,Nc1nc(N)nc(N)n1,non-mutagenic
2425-85-6,Cc1ccc(N=Nc2c(O)ccc3ccccc23)c(c1)[N+](=O)[O-],mutagenic
67019-24-3,CC(C)CC(=O)Nc1snc2ccccc12,non-mutagenic
83-41-0,Cc1cccc(c1C)[N+](=O)[O-],mutagenic
3836-23-5,CCCCCCC(=O)OC1(CCC2C3CCC4=CC(=O)CCC4C3CCC12C)C#C,non-mutagenic
108-03-2,CCC[N+](=O)[O-],non-mutagenic
70585-52-3,OC(=O)c1cc(cc2cccnc12)[N+](=O)[O-],mutagenic
87425-68-1,OC1C=Cc2c(ccc3c(Br)c4ccccc4cc23)C1O,mutagenic
24370-25-0,NC(=O)Nc1nc2ccccc2[nH]1,mutagenic
NOCAS_M453,C[C@@H](O)CCC(=O)c1cocc1,non-mutagenic
4106-66-5,Nc1ccc2c(oc3ccccc23)c1,mutagenic
1576-67-6,Cc1ccc2ccc3ccc(C)cc3c2c1,mutagenic
146177-65-3,Cc1cc2c(nc(N)n2C)c3ncc(nc13)c4ccccc4,mutagenic
112380-29-7,CCN(N=O)\C(=N\O)\C=O,mutagenic
484-23-1,NNc1nnc(NN)c2ccccc12,mutagenic
110-26-9,C=CC(=O)NCNC(=O)C=C,mutagenic
88020-91-1,OCc1cc2c3ccccc3c4cccc(c1)c24,non-mutagenic
28652-72-4,Cc1ccccc1c2ccccc2,non-mutagenic
67278-88-0,CC1C2C3C(C)C4C(=O)C56C(=O)c7c(O)cc(C)cc7C(=O)C35C1C(=O)C68C(=O)c9c(O)cc(C)cc9C(=O)C248,non-mutagenic
542-02-9,Cc1nc(N)nc(N)n1,non-mutagenic
1007-28-9,CCNc1nc(N)nc(Cl)n1,non-mutagenic
64188-65-4,C1CCC(CC1)N2C3C2c4ccccc4c5ccccc35,mutagenic
122-56-5,CCCCB(CCCC)CCCC,mutagenic
111348-61-9,CC(=O)NC(CSC(=C(Cl)Cl)Cl)C(=O)O,mutagenic
29350-73-0,CC(C)[C@@H]1CC[C@H](C)[C@@H]2CC[C@H](C)C[C@@H]12,mutagenic
63980-20-1,CCNN=NCC,mutagenic
554-84-7,Oc1cccc(c1)[N+](=O)[O-],mutagenic
13177-32-7,[O-][N+](=O)c1ccc2c(c1)c3cccc4cccc2c34,mutagenic
98-00-0,OCc1occc1,non-mutagenic
NOCAS_M204,C(Cc1ccc(cc1)c2ccccc2)[C@H]3CO3,mutagenic
37515-51-8,Oc1cc2c3ccccc3ccc2c4ccccc14,mutagenic
842-07-9,Oc1ccc2ccccc2c1N=Nc3ccccc3,mutagenic
NOCAS_M566,N[C@@H]1CC[C@@H](C[C@@H]2CC[C@@H](N)CC2)CC1,non-mutagenic
2213-00-5,COC(=O)C12CC1(C=O)C(=CC3CC(C)(C)CC23)C=O,mutagenic
535-11-5,CCOC(=O)C(C)Br,mutagenic
21362-69-6,COC1(CCCC1)OC2CCC3C4CCC5CC6SC6CC5(C)C4CCC23C,non-mutagenic
92280-01-8,CCN(CCCl)CCCNc1c2CCCCc2nc3ccccc13,mutagenic
145763-35-5,C\C(=C/C(=C/C1=CCOC1=O)/C)\C=C\C=C(/C)\C(=O)C23OC2C(O)(CCO)NC3=O,mutagenic
944-22-9,CCO[P@](=S)(CC)Sc1ccccc1,non-mutagenic
5131-58-8,Nc1ccc(c(N)c1)[N+](=O)[O-],mutagenic
919-86-8,CCSCCSP(=O)(OC)OC,non-mutagenic
118-90-1,Cc1ccccc1C(=O)O,non-mutagenic
26002-80-2,CC(=CC1C(C(=O)OCc2cccc(Oc3ccccc3)c2)C1(C)C)C,mutagenic
108-86-1,Brc1ccccc1,non-mutagenic
88-53-9,Cc1cc(N)c(cc1Cl)S(=O)(=O)O,non-mutagenic
6088-51-3,Oc1ccc2cc(SSc3ccc4cc(O)ccc4c3)ccc2c1,non-mutagenic
112022-06-7,CN(C)CCNC(=O)c1cccc2C(=O)c3ccccc3C(=O)c12,mutagenic
60877-79-4,Nc1snc2c(Cl)cc(Cl)cc12,mutagenic
154159-06-5,ClCC1(C(Cl)Cl)C2CC(Cl)(Cl)C1(CC2(Cl)Cl)C(Cl)Cl,non-mutagenic
602-06-2,Cc1cc(O)c2C(=O)c3c(O)cc(O)c(c3C(=O)c2c1)c4c(O)cc(O)c5C(=O)c6c(O)cc(C)cc6C(=O)c45,non-mutagenic
107-30-2,COCCl,non-mutagenic
59-89-2,O=NN1CCOCC1,mutagenic
2479-46-1,Nc1ccc(Oc2cccc(Oc3ccc(N)cc3)c2)cc1,mutagenic
101-54-2,Nc1ccc(Nc2ccccc2)cc1,non-mutagenic
2849-98-1,CCCCCOC(=O)C(=C)C,non-mutagenic
65-85-0,OC(=O)c1ccccc1,non-mutagenic
5134-49-6,Nc1ncnc2c1ncn2Cc3ccc(cc3)[N+](=O)[O-],mutagenic
203-64-5,C1c2cccc3ccc4cccc1c4c23,mutagenic
321-60-8,Fc1ccccc1c2ccccc2,non-mutagenic
11097-69-1,Clc1ccc(cc1Cl)c2ccc(Cl)c(Cl)c2Cl,non-mutagenic
58775-50-1,CC(=CCc1ccc(O)c2C(=O)c3c(O)c4c(OC5OC=CC45O)cc3Oc12)C,mutagenic
1222-05-5,CC1COCc2cc3c(cc12)C(C)(C)C(C)C3(C)C,non-mutagenic
50892-23-4,Cc1cccc(Nc2cc(Cl)nc(SCC(=O)O)n2)c1C,non-mutagenic
3025-77-2,Nc1ccc2ccccc2c1N=Nc3ccc(cc3)[N+](=O)[O-],mutagenic
25316-40-9,COc1cccc2C(=O)c3c(O)c4CC(O)(CC(OC5CC(N)C(O)C(C)O5)c4c(O)c3C(=O)c12)C(=O)CO,mutagenic
2467-03-0,Oc1ccc(Cc2ccccc2O)cc1,non-mutagenic
2517-43-3,COC(C)CCO,non-mutagenic
71708-92-4,CC(=O)N(O)c1ccc(Oc2ccccc2)cc1,mutagenic
25058-17-7,CC(C)(c1ccc(OP(O)O)cc1)c2ccc(OP(O)O)cc2,non-mutagenic
111-64-8,CCCCCCCC(=O)Cl,mutagenic
5344-87-6,CC(C)(C)C(Br)C(=O)Nc1ccccc1,non-mutagenic
138154-40-2,CCN(CC)CCNc1ccc2nc(C)n3c4ccc(O)cc4C(=O)c1c23,mutagenic
139-94-6,CCNC(=O)Nc1ncc(s1)[N+](=O)[O-],mutagenic
22897-08-1,COc1ccc(O)c2C(=O)c3c(OC)cc4O[C@@H]5OC=C[C@H]5c4c3Oc12,mutagenic
71712-70-4,[O-][N+](=O)c1cc2Oc3cc(Cl)c(Cl)cc3Oc2cc1Cl,mutagenic
80-62-6,COC(=O)C(=C)C,non-mutagenic
102694-32-6,Oc1ccc2c3ccc(O)c4C(=O)C=C[C@@](O)([C@@H]5[C@H]6O[C@H]6C(=O)c1c25)c34,mutagenic
598-55-0,COC(=O)N,non-mutagenic
135561-93-2,Cc1cc(C)n(n1)c2[nH]nc(NN)c3c4ccccc4nc23,non-mutagenic
191861-17-3,Fc1cnc2ccc3cccnc3c2c1,mutagenic
64216-20-2,SC(NC(=O)NC(S)c1nc2ccccc2s1)c3nc4ccccc4s3,mutagenic
34331-95-8,Cc1c2ccccc2c(CBr)c3ccccc13,mutagenic
3198-41-2,Nc1cccc2cc3CCCCc3nc12,mutagenic
96-33-3,COC(=O)C=C,non-mutagenic
192705-52-5,CC(=O)Nc1c(O)cc2c3ccccc3c4cccc1c24,mutagenic
94339-56-7,OC1Cc2cc3ccc4cccc5ccc(c2C=C1)c3c45,mutagenic
115664-59-0,Oc1ccc2c(c1)c3ccc(c4cccc2c34)[N+](=O)[O-],mutagenic
97509-29-0,OC1C=Cc2cc3ccccc3c(c2C1O)[N+](=O)[O-],non-mutagenic
5858-81-1,Cc1ccc(N=Nc2c(O)c(cc3ccccc23)C(=O)O)c(c1)S(=O)(=O)O,non-mutagenic
1733-13-7,CN=C1C=CC(=C(c2ccc(cc2)N(C)C)c3ccc(cc3)N(C)C)C=C1,non-mutagenic
56986-36-8,CCCCN(COC(=O)C)N=O,mutagenic
93285-74-6,C1CCC2=C(C1)c3cc4ccccc4c5cc6ccccc6c2c35,mutagenic
22788-18-7,NP(=O)(OCCC(=O)O)N(CCCl)CCCl,mutagenic
94887-71-5,Nc1c(O)cc(Cc2cc(Cl)c(N)c(OS(=O)(=O)O)c2)cc1Cl,non-mutagenic
15980-15-1,C1CSCCO1,non-mutagenic
636-21-5,Cc1ccccc1N,mutagenic
486-25-9,O=C1c2ccccc2c3ccccc13,non-mutagenic
286-62-4,C1CCCC2OC2CC1,non-mutagenic
106589-50-8,C1Cc2c(C=C1)ccc3nc4ccc5ccccc5c4cc23,mutagenic
110004-96-1,CS(=O)(=O)Nc1ccc(Nc2c3ccc(cc3nc4ccc(cc24)N=N#N)N=N#N)cc1,non-mutagenic
154-69-8,CN(C)CCN(Cc1ccccc1)c2ccccn2,non-mutagenic
64356-85-0,C\C=C(/Cl)\C1=CC(=O)C23CC2C(C)(C)OC3(O)C1=O,mutagenic
59-05-2,CN(Cc1cnc2nc(N)nc(N)c2n1)c3ccc(cc3)C(=O)NC(CCC(=O)O)C(=O)O,non-mutagenic
103-69-5,CCNc1ccccc1,non-mutagenic
52411-33-3,Nc1ccccc1SCCSc2ccccc2N,mutagenic
89-73-6,ONC(=O)c1ccccc1O,mutagenic
603-85-0,Nc1c(O)cccc1[N+](=O)[O-],non-mutagenic
74518-99-3,CC(C)(C)c1ccc(\C=C\c2ccc(N)cc2)cc1,non-mutagenic
1703-58-8,OC(=O)C[C@H]([C@H](CC(=O)O)C(=O)O)C(=O)O,mutagenic
83-32-9,C1Cc2cccc3cccc1c23,non-mutagenic
107210-40-2,CN(C)CCCNc1c2ccccc2nc3c(ccc(c13)[N+](=O)[O-])N(CCO)CCO,mutagenic
7696-62-0,CCCCOc1ccc(cc1)N=O,mutagenic
88-51-7,Cc1cc(c(N)cc1Cl)S(=O)(=O)O,mutagenic
63-75-2,COC(=O)C1=CCCN(C)C1,mutagenic
27108-42-5,CNC(=O)ON,mutagenic
79-10-7,OC(=O)C=C,non-mutagenic
141-82-2,OC(=O)CC(=O)O,non-mutagenic
110-62-3,CCCCC=O,non-mutagenic
21711-71-7,O=Nc1ccccc1c2ccccc2,mutagenic
108612-45-9,CN(C1CCN(CC1)c2nc3ccccc3n2Cc4ccc(F)cc4)c5nccc(O)n5,non-mutagenic
74407-29-7,CSC(C)(C)C(=O)NC(CS)C(=O)O,non-mutagenic
4685-14-7,C[n+]1ccc(cc1)c2cc[n+](C)cc2,non-mutagenic
66927-03-5,OC(CN=N#N)C(O)C(O)C(O)C=O,mutagenic
149862-56-6,CCCCCNc1snc2ccccc12,non-mutagenic
105-74-8,CCCCCCCCCCCC(=O)OOC(=O)CCCCCCCCCCC,non-mutagenic
1325-37-7,Cc1ccc(cc1S(=O)(=O)O)[N+](=O)[O-],non-mutagenic
98-47-5,OS(=O)(=O)c1cccc(c1)[N+](=O)[O-],non-mutagenic
121-00-6,COc1ccc(O)c(c1)C(C)(C)C,non-mutagenic
54455-37-7,[O-][N+](=O)c1ccc2C(=O)N(CCl)C(=O)c2c1,mutagenic
21145-77-7,CC1CC(C)(C)c2cc(C(=O)C)c(C)cc2C1(C)C,non-mutagenic
24471-48-5,OCc1cc2ccc3cccc4ccc(c1)c2c34,mutagenic
145142-70-7,CCCCON(OC(=O)C)C(=O)c1ccc(cc1)c2ccccc2,mutagenic
68-23-5,C[C@]12CC[C@H]3[C@@H](CCC4=C3CCC(=O)C4)[C@H]1CC[C@@]2(O)C#C,non-mutagenic
91-15-6,N#Cc1ccccc1C#N,non-mutagenic
142783-37-7,CC(=O)Nc1cc(ccc1C)N=[N+]([O-])c2ccc(C)c(NC(=O)C)c2,non-mutagenic
123524-52-7,CC(C)OC(=O)C1=C(C)N=C(N)C(=C(O)OC2CN(C2)C(c3ccccc3)c4ccccc4)C1c5cccc(c5)[N+](=O)[O-],non-mutagenic
64431-93-2,C1CN=C(N1)c2ccc(cc2)c3cc4ccc(cc4[nH]3)C5=NCCN5,non-mutagenic
569-26-6,CC1CC2C(Cc3c[nH]c4cccc2c34)N(C)C1,mutagenic
2499-95-8,CCCCCCOC(=O)C=C,non-mutagenic
70055-49-1,CN(C)N=Nc1ccc(cc1)C(=O)O,non-mutagenic
98-07-7,ClC(Cl)(Cl)c1ccccc1,mutagenic
10094-45-8,CCCCCCCCCCCCCCCCCCNC(=O)CCCCCCCCCCC\C=C\CCCCCCCC,non-mutagenic
2880-49-1,CC1(C)OC1COc2c3OC(=O)C=Cc3cc4ccoc24,non-mutagenic
551-88-2,CCC(CC)[N+](=O)[O-],non-mutagenic
106532-63-2,CCCC(=O)\N=C\1/SN(C(=O)CCC)c2ccc(cc12)[N+](=O)[O-],mutagenic
104-85-8,Cc1ccc(cc1)C#N,non-mutagenic
120812-49-9,[O-][N+](=O)c1ccc2ccc3ccc(c4c5ccccc5c1c2c34)[N+](=O)[O-],non-mutagenic
148193-35-5,COc1nsc2cc(OCC3CO3)ccc12,mutagenic
21811-73-4,OC(=O)c1c(Cl)c(Cl)c(Cl)c2Oc3c(Br)c(O)c(Br)cc3C(=O)c12,non-mutagenic
13010-08-7,CCCCN(N=O)C(=N)N[N+](=O)[O-],mutagenic
543-67-9,CCCON=O,mutagenic
1085-98-9,CN(C)S(=O)(=O)N(SC(F)(Cl)Cl)c1ccccc1,non-mutagenic
151378-33-5,OC1C2OC2C3=C(C=CC4C3c5cccc6cccc4c56)C1O,mutagenic
117-08-8,Clc1c(Cl)c(Cl)c2C(=O)OC(=O)c2c1Cl,non-mutagenic
7258-52-8,C1Cc2ccc3ccc4ccccc4c3c2C1,mutagenic
151-18-8,NCCC#N,non-mutagenic
84761-86-4,Clc1cccc2oc3ccccc3c12,non-mutagenic
3353-08-0,C[C@@H]1C=Cc2c1ccc3c2ccc4ccccc34,mutagenic
109-66-0,CCCCC,non-mutagenic
108-39-4,Cc1cccc(O)c1,non-mutagenic
119979-38-3,CCCC(=O)OCc1ccccc1[N+](=O)[O-],non-mutagenic
100-39-0,BrCc1ccccc1,mutagenic
120042-14-0,NC(CCN=N#N)C(=O)O,mutagenic
109143-19-3,COc1ccc2oc(cc2c1N(CCCl)CCCl)[N+](=O)[O-],mutagenic
7779-65-9,CC(C)CCOC(=O)\C=C/c1ccccc1,non-mutagenic
88-16-4,FC(F)(F)c1ccccc1Cl,non-mutagenic
1576-35-8,Cc1ccc(cc1)S(=O)(=O)NN,mutagenic
354-33-6,FC(F)C(F)(F)F,non-mutagenic
88-19-7,Cc1ccccc1S(=O)(=O)N,non-mutagenic
636-26-0,Cc1cnc(S)nc1O,non-mutagenic
97-00-7,[O-][N+](=O)c1ccc(Cl)c(c1)[N+](=O)[O-],mutagenic
193-98-6,c1cc2ccc3cncc4ccc(c1)c2c34,mutagenic
165606-93-9,ClC(=C1C(=O)NC(=O)C1(Cl)Cl)Cl,mutagenic
84-56-0,c1ccc2cc3c(ccc4cccnc34)cc2c1,mutagenic
2303-17-5,CC(C)N(C(C)C)C(=O)SCC(=C(Cl)Cl)Cl,mutagenic
95-68-1,Cc1ccc(N)c(C)c1,mutagenic
NOCAS_M243,CN(C[C@H](O)CO)N=O,mutagenic
56341-08-3,CC(C)(C)NCC(O)c1cc(Cl)c(N)c(c1)C(F)(F)F,non-mutagenic
118-75-2,ClC1=C(Cl)C(=O)C(=C(Cl)C1=O)Cl,mutagenic
15625-89-5,CCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C,mutagenic
114488-79-8,CC12CCCC(C)(C1CCC34CC(O)(CCC23)C5(CO5)C4)C(=O)O,non-mutagenic
NOCAS_M25,O[C@H]1C=Cc2c(ccc3c4cccc5cccc(c23)c45)[C@@H]1O,mutagenic
125157-96-2,CC1C2C(=Nc3ccccc23)N(C)c4ccc(C)cc14,mutagenic
1615-02-7,OC(=O)\C=C\c1ccc(Cl)cc1,non-mutagenic
100-12-9,CCc1ccc(cc1)[N+](=O)[O-],non-mutagenic
628-94-4,NC(=O)CCCCC(=O)N,non-mutagenic
159092-66-7,[O-][N+](=O)c1cccc2c1ccc3cccc(c23)[N+](=O)[O-],mutagenic
84-74-2,CCCCOC(=O)c1ccccc1C(=O)OCCCC,non-mutagenic
6052-68-2,OC(=O)C1Cc2c(CN1)[nH]c3ccccc23,non-mutagenic
60254-83-3,CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)CNC(=O)CN)C(=O)O,non-mutagenic
115453-72-0,NC(CS\C(=C(/Cl)\C(Cl)(Cl)Cl)\Cl)C(=O)O,mutagenic
220168-55-8,[O-][N+](=O)c1ccc(cc1)C(=O)ON(OCc2ccccc2)C(=O)c3ccccc3,mutagenic
536-90-3,COc1cccc(N)c1,mutagenic
90147-31-2,CCCNC(=O)\C=C\c1oc(cc1)[N+](=O)[O-],mutagenic
4081-23-6,O=P1(Oc2ccccc2)OCc3ccccc3O1,mutagenic
2150-54-1,Cc1cc(ccc1N=Nc2c(O)c3c(O)cc(cc3cc2S(=O)(=O)O)S(=O)(=O)O)c4ccc(N=Nc5c(O)c6c(O)cc(cc6cc5S(=O)(=O)O)S(=O)(=O)O)c(C)c4,non-mutagenic
138-89-6,CN(C)c1ccc(cc1)N=O,mutagenic
7239-21-6,CN(C)N=Nc1ccc(Br)cc1,mutagenic
585-07-9,CC(=C)C(=O)OC(C)(C)C,non-mutagenic
100-41-4,CCc1ccccc1,non-mutagenic
3868-31-3,Nc1nc(O)c2nc(O)n(C3OC(CO)C(O)C3O)c2n1,non-mutagenic
2693-46-1,Nc1ccc2c3ccccc3c4cccc1c24,mutagenic
NOCAS_M387,CNCc1oc(CSCCN=C(NC[C@H](O)c2ccc(O)cc2)NS(=O)(=O)C)cc1,non-mutagenic
17420-30-3,Nc1ccc(cc1C#N)[N+](=O)[O-],mutagenic
2687-25-4,Cc1cccc(N)c1N,mutagenic
NOCAS_M514,CCOC(=O)C[C@H](SP(=S)(OC)OC)C(=O)OCC,non-mutagenic
578-66-5,Nc1cccc2cccnc12,mutagenic
5102-83-0,CC(=O)C(N=Nc1ccc(cc1Cl)c2ccc(N=NC(C(=O)C)C(=O)Nc3ccc(C)cc3C)c(Cl)c2)C(=O)Nc4ccc(C)cc4C,non-mutagenic
111-94-4,N#CCCNCCC#N,non-mutagenic
78-84-2,CC(C)C=O,non-mutagenic
24072-75-1,Nc1nc2cc(Cl)c(Cl)cc2s1,non-mutagenic
637-69-4,COc1ccc(C=C)cc1,non-mutagenic
66734-13-2,CCC(=O)OCC(=O)C1(OC(=O)CC)C(C)CC2C3C(Cl)CC4=CC(=O)C=CC4(C)C3C(O)CC12C,non-mutagenic
611-35-8,Clc1ccnc2ccccc12,mutagenic
126983-60-6,COC1=CC(=O)c2c([nH]cc3c4cnccc4nc23)C1=O,mutagenic
199536-84-0,ClCC1=C(Br)C(=O)OC1,mutagenic
27833-64-3,CN1CCN(CC1)C2=Nc3ccccc3Oc4ccc(Cl)cc24,non-mutagenic
518-34-3,COc1cc2CCN(C)[C@H]3Cc4ccc(Oc5cc(C[C@@H]6N(C)CCc7cc(OC)c(OC)c(Oc(c1)c23)c67)ccc5OC)cc4,mutagenic
23491-44-3,CN1CCN(CC1)c2ccc3[nH]c(nc3c2)c4ccc5[nH]c(nc5c4)c6ccc(O)cc6,non-mutagenic
5908-27-0,OS(=O)(=O)C1=CC(=O)C(=O)c2ccccc12,mutagenic
92569-06-7,Cc1ccc(cc1)S(=O)(=O)NC(=O)Nc2ncc(s2)[N+](=O)[O-],non-mutagenic
1758-73-2,NC(=N)S(=O)O,non-mutagenic
63017-87-8,Cc1c(ccc2ccccc12)[N+](=O)[O-],mutagenic
139259-97-5,CC(=O)ON(OCc1ccc(Br)cc1)C(=O)c2ccccc2,mutagenic
6607-30-3,CP1(C)NP(C)(C)NP(C)(C)N1,non-mutagenic
67634-00-8,CC(C)CCOCC(=O)OCC=C,non-mutagenic
NOCAS_M498,Cl[C@@H]1[C@H](Cl)[C@@H](Cl)[C@@H](Cl)[C@@H](Cl)[C@@H]1Cl,non-mutagenic
93780-95-1,OC1C2OC2c3c(ccc4cc5ccc6ccccc6c5nc34)C1O,mutagenic
50-28-2,C[C@]12CC[C@@H]3[C@@H](CCc4cc(O)ccc34)[C@H]1CC[C@@H]2O,non-mutagenic
139-40-2,CC(C)Nc1nc(Cl)nc(NC(C)C)n1,non-mutagenic
60-51-5,CNC(=O)CSP(=S)(OC)OC,mutagenic
54484-90-1,CC[N+]([O-])(CC)CCNc1ccc(CO)c2Sc3ccccc3C(=O)c12,mutagenic
30835-61-1,COc1cc2C(=O)CCc2c3c(C)cc4ccccc4c13,mutagenic
938-73-8,CCOc1ccccc1C(=O)N,non-mutagenic
61551-82-4,OS(=O)(=O)c1ccc2cc(Oc3ccc4cc(ccc4c3)S(=O)(=O)O)ccc2c1,non-mutagenic
934-73-6,CS(=O)c1ccc(Cl)cc1,non-mutagenic
99400-75-6,CCCCCCCC\C=C/CCCCCCCCN,mutagenic
56-18-8,NCCCNCCCN,non-mutagenic
111-41-1,NCCNCCO,mutagenic
NOCAS_M134,COC(=O)[C@]12O[C@@]1(C)[C@@](O)(NC2=O)C(C)C,mutagenic
64-67-5,CCOS(=O)(=O)OCC,mutagenic
3571-31-1,COc1cc(O)c2C(=O)c3c(O)cc(C)cc3Cc2c1,mutagenic
NOCAS_M488,CC[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CC[C@]2(O)C#C,non-mutagenic
NOCAS_M133,Cc1ccc(OC[C@H]2CO2)cc1,mutagenic
159092-71-4,[O-][N+](=O)c1ccc2c3ccccc3cc(c2c1)[N+](=O)[O-],mutagenic
58-27-5,CC1=CC(=O)c2ccccc2C1=O,mutagenic
101-67-7,CCCCCCCCc1ccc(Nc2ccc(CCCCCCCC)cc2)cc1,non-mutagenic
89-59-8,Cc1ccc(Cl)cc1[N+](=O)[O-],non-mutagenic
59901-89-2,O=C([C@@H]1CO1)c2ccc3OCOc3c2,mutagenic
1551-44-6,CCCC(=O)OC1CCCCC1,non-mutagenic
71424-66-3,CC1Cc2c(O)c(C)c3C4C(CCC(=C)c3c2C1=O)C4(C)C,non-mutagenic
63710-09-8,CCC1(O)CC(OC2CC(C(OC3CC(O)C(O)C(C)O3)C(C)O2)N(C)C)c4c(O)c5C(=O)c6c(O)ccc(O)c6C(=O)c5cc4C1C(=O)OC,mutagenic
124-19-6,CCCCCCCCC=O,non-mutagenic
1982-67-8,CS(=N)(=O)CCC(N)C(=O)O,non-mutagenic
98499-60-6,COc1ccccc1NCSC,mutagenic
587-04-2,Clc1cccc(C=O)c1,non-mutagenic
115217-02-2,CCC1=C(C(C)c2cc(O)ccc12)c3ccc(O)cc3,non-mutagenic
26530-20-1,CCCCCCCCN1SC=CC1=O,non-mutagenic
58-95-7,CC(C)CCCC(C)CCCC(C)CCCC1(C)CCc2c(C)c(OC(=O)C)c(C)c(C)c2O1,non-mutagenic
20702-77-6,COc1ccc(CCC(=O)c2c(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)cc2O)cc1O,non-mutagenic
253-52-1,c1ccc2cnncc2c1,non-mutagenic
68041-18-9,OS(=O)(=O)OCc1c2ccccc2c3ccc4cccc5ccc1c3c45,mutagenic
1074-12-0,O=CC(=O)c1ccccc1,mutagenic
66041-61-0,Oc1ccc(cc1[N+](=O)[O-])c2ccc(O)c(c2)[N+](=O)[O-],non-mutagenic
38612-16-7,[O-][N+](=O)c1cccc(COC(=O)c2ccccc2)c1,non-mutagenic
109460-96-0,COC(=O)\C(=C\c1ccccc1Br)\C#N,non-mutagenic
5408-55-9,[O-][N+](=O)c1ccc2c(oc3ccc(cc23)[N+](=O)[O-])c1,mutagenic
35212-01-2,Cc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])N=[N+]([O-])c2cc(cc(c2C)[N+](=O)[O-])[N+](=O)[O-],mutagenic
504-78-9,C1CSCN1,mutagenic
120314-14-9,OCCc1cn(N=O)c2ccccc12,mutagenic
62783-49-7,CN(Cc1cccc(C)c1)N=O,mutagenic
126-30-7,CC(C)(CO)CO,non-mutagenic
2893-78-9,ClN1C(=O)NC(=O)N(Cl)C1=O,non-mutagenic
3695-86-1,COC(=O)\C(=C\c1occc1)\C#N,non-mutagenic
14078-41-2,COc1cc(c(O)c(c1)C(C)(C)C)c2cc(OC)cc(c2O)C(C)(C)C,non-mutagenic
150-13-0,Nc1ccc(cc1)C(=O)O,non-mutagenic
13684-63-4,COC(=O)Nc1cccc(OC(=O)Nc2cccc(C)c2)c1,mutagenic
140-10-3,OC(=O)\C=C\c1ccccc1,non-mutagenic
619-24-9,[O-][N+](=O)c1cccc(c1)C#N,mutagenic
55898-15-2,COc1cc2CCN(C)c3cc4cc5OCOc5cc4c(c1OC)c23,non-mutagenic
51630-58-1,CC(C)C(C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1)c3ccc(Cl)cc3,non-mutagenic
2216-15-1,CCN(CC)c1ccc(cc1)[N+](=O)[O-],mutagenic
145142-71-8,CCCCON(OC(=O)C)C(=O)c1ccc(cc1)C(C)(C)C,mutagenic
13417-43-1,C\C=C(/C)\CCl,mutagenic
53940-49-1,COc1cc(CC2CO2)ccc1O,mutagenic
64625-66-7,Cc1c2ccccc2cc3c4C5OC5C(O)C(O)c4ccc13,mutagenic
109-86-4,COCCO,non-mutagenic
163275-58-9,Fc1cc2ccccc2c3ncccc13,mutagenic
56-49-5,Cc1ccc2cc3c(ccc4ccccc34)c5CCc1c25,mutagenic
104953-00-6,CC1(CO1)c2ccc(cc2)C#N,mutagenic
55302-96-0,Cc1ccc(NCCO)cc1O,non-mutagenic
496-14-0,C1OCc2ccccc12,mutagenic
125369-82-6,Fc1ccc(cc1)\C(=C\C=C\c2ccccc2)\C#N,mutagenic
133762-82-0,COC1=NC(=O)N(CC(O)CN=N#N)C=C1,mutagenic
19881-18-6,[O-][N+](=O)c1ccc(Oc2ccc(cc2)N=C=S)cc1,mutagenic
79-29-8,CC(C)C(C)C,non-mutagenic
215-62-3,c1ccc2nc3c4ccccc4c5ccccc5c3cc2c1,mutagenic
70-00-8,OC[C@H]1O[C@H](C[C@@H]1O)N2C=C(C(=O)NC2=O)C(F)(F)F,mutagenic
100-61-8,CNc1ccccc1,non-mutagenic
473-90-5,OC(=O)C(=O)C(=O)O,non-mutagenic
202-98-2,C1c2cccc3ccc4c5ccccc5cc1c4c23,mutagenic
128753-90-2,CC(=O)Oc1ccc2c(OC3(C)OOC23C)c1,mutagenic
1777-84-0,CCOc1ccc(NC(=O)C)cc1[N+](=O)[O-],mutagenic
16219-75-3,C\C=C\1/C[C@H]2C[C@@H]1C=C2,non-mutagenic
132742-01-9,[O-][N+](=O)c1ccc2ccc3c4CCC=Cc4cc5ccc1c2c35,mutagenic
136112-71-5,Nc1ncnc2c1nc(c3ccc(cc3)[N+](=O)[O-])n2c4ccc(cc4)[N+](=O)[O-],mutagenic
100-64-1,ON=C1CCCCC1,mutagenic
113124-70-2,COC1=CC(=O)c2c([nH]cc3c4ccccc4nc23)C1=O,mutagenic
539-21-9,NC(=N)NNc1ccc(cc1)N=NC(=S)N,mutagenic
3697-30-1,CCc1c2ccccc2cc3c1ccc4ccccc34,mutagenic
78411-56-0,Cc1cnc2c(ccc3c2nc(N)n3C)n1,mutagenic
14925-39-4,BrC(=C)C=O,mutagenic
3741-15-9,[O-][N+](=O)c1ccnc2ccccc12,mutagenic
166664-83-1,Cn1c(N)nc2nc3ncccc3cc12,non-mutagenic
57-27-2,CN1CCC23C4Oc5c(O)ccc(CC1C2C=CC4O)c35,non-mutagenic
78448-08-5,Oc1ccc2ccc3[nH]c4ccc5ccccc5c4c3c2c1,mutagenic
112-30-1,CCCCCCCCCCO,non-mutagenic
36712-35-3,[O-][N+](=O)c1ccc(c2ccccc2[N+](=O)[O-])c(c1)[N+](=O)[O-],mutagenic
1711-06-4,Cc1cccc(c1)C(=O)Cl,mutagenic
90301-59-0,OCC1OC(CC1O)N2C=C(CCCl)C(=O)NC2=O,mutagenic
89795-79-9,Nc1cccc2cnsc12,mutagenic
226237-61-2,COc1c2ccoc2[n+]([O-])c3ccccc13,non-mutagenic
NOCAS_M104,COc1cc2O[C@@H]3OC=C[C@H]3c2c4Oc5cccc(O)c5C(=O)c14,mutagenic
107-64-2,CCCCCCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCCCCCC,non-mutagenic
49792-23-6,CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CC(O)C(OC6OC(CO)C(O)C(O)C6O)C(C)(C5CCC34C)C(=O)O)C2C1)C(=O)O,non-mutagenic
17722-52-0,OC(=O)CCC(=O)Nc1ccc(Cl)cc1,non-mutagenic
73931-96-1,OC(Cn1ccnc1)c2ccc(CCc3ccccc3)cc2,non-mutagenic
126-73-8,CCCCOP(=O)(OCCCC)OCCCC,non-mutagenic
56656-97-4,COC(=O)\C(=C\c1oc(Br)cc1)\C#N,non-mutagenic
137-08-6,CC(C)(CO)C(O)C(=O)NCCC(=O)O,non-mutagenic
1086-00-6,ClCc1ccc2ccc3cccc4ccc1c2c34,mutagenic
97576-08-4,O[C@@H]1C=Cc2c(cc3ccc4c(ccc5ccc2c3c45)[N+](=O)[O-])[C@H]1O,mutagenic
91-19-0,c1ccc2nccnc2c1,mutagenic
39653-72-0,N#CC1=Cc2cccc3cccc1c23,mutagenic
548-08-3,CN1CCc2cc3OCOc3c4c5ccccc5CC1c24,mutagenic
18172-67-3,CC1(C)C2CCC(=C)C1C2,non-mutagenic
57-67-0,NC(=N)NS(=O)(=O)c1ccc(N)cc1,non-mutagenic
6257-64-3,CN(C)c1ccc(cc1)N=Nc2ccc(cc2)N(C)C,non-mutagenic
1250-95-9,CC(C)CCCC(C)C1CCC2C3CC4OC45CC(O)CCC5(C)C3CCC12C,mutagenic
136861-00-2,Nc1cc(c(c2ccccc2)c(c1)[N+](=O)[O-])[N+](=O)[O-],mutagenic
540-51-2,OCCBr,mutagenic
2846-29-9,CC(C)CCCC(C)C1CCC2C3C(OO)C=C4CC(O)CCC4(C)C3CCC12C,mutagenic
NOCAS_M36,C[C@@H](O)CN(C)c1ccc(NN)nn1,mutagenic
92-69-3,Oc1ccc(cc1)c2ccccc2,mutagenic
14901-07-6,CC(=O)\C=C/C1=C(C)CCCC1(C)C,non-mutagenic
67508-87-6,COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@@H]([C@@H](O)[C@H](C)O5)N(C)C)c4c(O)c3C(=O)c12)C(=O)C,mutagenic
97-52-9,COc1cc(ccc1N)[N+](=O)[O-],mutagenic
NOCAS_M411,C\C=C/1\C[C@H](C)[C@](O)(CO)C(=O)OCC2=CC[N@@+]3([O-])CC[C@@H](OC1=O)[C@@H]23,non-mutagenic
84305-41-9,COC1(NC(=O)CSCC(N)C(=O)O)C2SCC(=C(N2C1=O)C(=O)O)CSc3nnnn3C,non-mutagenic
131206-89-8,CN(C)CCCN1C=CN(C)C1\C=N\O,non-mutagenic
129812-29-9,CC12OOC1(C)c3c(O2)ccc4ccccc34,non-mutagenic
131862-19-6,CN(C)CCNC(=O)c1cccc2nc(oc12)c3ccccc3,non-mutagenic
627-30-5,OCCCCl,mutagenic
40180-04-9,OC(=O)COc1ccc(C(=O)c2cccs2)c(Cl)c1Cl,non-mutagenic
26446-35-5,CC(=O)OC[C@H](O)CO,mutagenic
625-45-6,COCC(=O)O,non-mutagenic
131-91-9,Oc1ccc2ccccc2c1N=O,non-mutagenic
143922-97-8,Cc1c(N)cccc1N=Nc2cccc(N)c2C,mutagenic
51-28-5,Oc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],non-mutagenic
5216-25-1,Clc1ccc(cc1)C(Cl)(Cl)Cl,mutagenic
32116-25-9,CC(=O)c1ccc([nH]1)[N+](=O)[O-],mutagenic
133762-78-4,Nc1ncnc2c1cnn2CC(O)CN=N#N,mutagenic
98-96-4,NC(=O)c1cnccn1,non-mutagenic
67737-62-6,OC1C2OC2c3c(ccc4ccccc34)C1O,mutagenic
17831-71-9,C=CC(=O)OCCOCCOCCOCCOC(=O)C=C,non-mutagenic
27746-63-0,Clc1cc(cc(Cl)c1Cl)N2C(=O)CCC2=O,non-mutagenic
106264-79-3,CSc1cc(SC)c(N)c(C)c1N,mutagenic
644-21-3,CCN(N)c1ccccc1,mutagenic
112-36-7,CCOCCOCCOCC,non-mutagenic
99675-03-3,COP(=S)(NC(C)C)Oc1ccccc1C(=O)OC(C)C,non-mutagenic
110-05-4,CC(C)(C)OOC(C)(C)C,non-mutagenic
77-46-3,CC(=O)Nc1ccc(cc1)S(=O)(=O)c2ccc(NC(=O)C)cc2,non-mutagenic
117760-93-7,Nc1cc2c3C=C[C@@H](O)[C@H](O)c3ccc2c4ccccc14,mutagenic
332397-22-5,N\C(=N/OS(=O)(=O)O)\c1ccccc1,non-mutagenic
29852-26-4,ClCc1cc2cccc3ccc4c5ccccc5cc1c4c23,mutagenic
138-59-0,O[C@H]1CC(=C[C@@H](O)[C@@H]1O)C(=O)O,non-mutagenic
96563-09-6,CC1c2cc(C)ccc2c3ccc(C)cc13,non-mutagenic
105708-68-7,CC(=O)OC1Cc2ccc3ccc4cccc5cc1c2c3c45,mutagenic
2832-40-8,CC(=O)Nc1ccc(cc1)N=Nc2cc(C)ccc2O,mutagenic
4543-63-9,CNC(=O)NOC(=O)NC,mutagenic
1120-71-4,O=S1(=O)CCCO1,mutagenic
147293-14-9,Cn1c(N)nc2c3cnccc3ccc12,mutagenic
132059-51-9,OC1OC(=O)C(=C1C(Cl)Br)Cl,mutagenic
126420-94-8,Cc1ccc(CN2C3C2c4ccccc4c5ccccc35)cc1,mutagenic
1135-14-4,Nc1ccc(Sc2ccccc2)cc1,mutagenic
2508-23-8,CC(=O)N(O)c1ccc2ccccc2c1,mutagenic
14308-65-7,CNC(=O)\C=C\c1oc(cc1)[N+](=O)[O-],mutagenic
128714-76-1,[O-][N+](=O)c1ccc2ccc3c4ccccc4c(c5ccc1c2c35)[N+](=O)[O-],mutagenic
5410-97-9,[O-][N+](=O)c1ccc2c(oc3ccccc23)c1,mutagenic
628-02-4,CCCCCC(=O)N,non-mutagenic
161696-98-6,CNc1ccc2nccnc2c1C,mutagenic
2403-28-3,O=C(\C=C\c1ccc(cc1)c2ccccc2)c3ccccc3,non-mutagenic
56961-79-6,Cc1c(Cl)cnc2ccccc12,non-mutagenic
42011-48-3,[O-][N+](=O)c1oc(cc1)c2csc(NC(=O)C(F)(F)F)n2,mutagenic
55-98-1,CS(=O)(=O)OCCCCOS(=O)(=O)C,mutagenic
39965-42-9,CC(C)(C)NC(=O)\C=C\c1oc(cc1)[N+](=O)[O-],mutagenic
NOCAS_M229,CCOC[C@H]1CO1,mutagenic
36504-65-1,O1[C@@H]2C=Cc3c(cc4ccc5cccc6ccc3c4c56)[C@H]12,mutagenic
80-07-9,Clc1ccc(cc1)S(=O)(=O)c2ccc(Cl)cc2,non-mutagenic
512-56-1,COP(=O)(OC)OC,mutagenic
3308-64-3,Cc1ccc2cc3c(ccc4ccccc34)c5CC(O)c1c25,non-mutagenic
99523-58-7,Cc1ccc2nsc(NC(=O)C(Cl)Cl)c2c1,mutagenic
626-16-4,ClCc1cccc(CCl)c1,non-mutagenic
67019-29-8,O=C(Nc1ccccc1)Nc2snc3ccccc23,non-mutagenic
25973-55-1,CCC(C)(C)c1cc(c(O)c(c1)C(C)(C)CC)n2nc3ccccc3n2,non-mutagenic
17455-26-4,C1CCC2OCCOCCOCCOCCOC3CCCCC3OCCOCCOCCOCCOC2C1,non-mutagenic
19785-01-4,COc1ccc(OC)c(\C=C\C)c1,non-mutagenic
599-79-1,OC(=O)c1cc(ccc1O)N=Nc2ccc(cc2)S(=O)(=O)Nc3ccccn3,non-mutagenic
253-53-2,c1cc2cnncc2cn1,non-mutagenic
25377-72-4,CC\C=C\C,non-mutagenic
13345-23-8,Oc1ccc2ccc3cc4ccccc4c5ccc1c2c35,mutagenic
6606-59-3,CC(=C)C(=O)OCCCCCCOC(=O)C(=C)C,non-mutagenic
93-08-3,CC(=O)c1ccc2ccccc2c1,non-mutagenic
532-27-4,ClCC(=O)c1ccccc1,non-mutagenic
105735-71-5,[O-][N+](=O)c1cccc2c3ccc(c4cccc(c12)c34)[N+](=O)[O-],mutagenic
115340-67-5,OC(=O)\C(=C(/C=O)\C(Cl)Cl)\Cl,mutagenic
521-31-3,Nc1cccc2c(O)nnc(O)c12,non-mutagenic
99523-60-1,CCC(=O)Nc1snc2ccc(C)cc12,non-mutagenic
39638-73-8,NC1=NC(=O)N(C=C1O)C2OC(CO)C(O)C2O,non-mutagenic
81-11-8,Nc1ccc(\C=C/c2ccc(N)cc2S(=O)(=O)O)c(c1)S(=O)(=O)O,non-mutagenic
569-57-3,COc1ccc(cc1)C(=C(c2ccc(OC)cc2)c3ccc(OC)cc3)Cl,non-mutagenic
38777-13-8,CC(C)Oc1ccccc1OC(=O)N(C)N=O,mutagenic
115664-55-6,Oc1ccc2c(ccc3c4ccccc4c1c23)[N+](=O)[O-],mutagenic
NOCAS_M493,CC(C)[C@@H]1CC=C(C)[C@H]2CC=C(C)C[C@H]12,non-mutagenic
614-00-6,CN(N=O)c1ccccc1,mutagenic
131862-20-9,CN(C)CCNC(=O)c1cccc2oc(nc12)c3ccccc3,non-mutagenic
NOCAS_M103,CCCC[C@@H](CC)COC(=O)c1ccc(N(C)C)c(c1)[N+](=O)[O-],mutagenic
35367-38-5,Fc1cccc(F)c1C(=O)NC(=O)Nc2ccc(Cl)cc2,non-mutagenic
38134-58-6,NC(CCC(=O)NC(CSC(=O)NCCCl)C(=O)NCC(=O)O)C(=O)O,mutagenic
96918-15-9,o1ccc2cc3ccc4cccc5ccc(c12)c3c45,mutagenic
3365-85-3,Nc1ccc(cc1)c2ccc(cc2)c3ccc(N)cc3,mutagenic
480-19-3,COc1cc(ccc1O)C2=C(O)C(=O)c3c(O)cc(O)cc3O2,non-mutagenic
107-46-0,C[Si](C)(C)O[Si](C)(C)C,non-mutagenic
124-26-5,CCCCCCCCCCCCCCCCCC(=O)N,non-mutagenic
115781-42-5,Cc1cnc2ccc3c(nc(NC4OC(C(O)C(O)C4O)C(=O)O)n3C)c2n1,non-mutagenic
1719-53-5,CC[Si](Cl)(Cl)CC,non-mutagenic
1024-41-5,Cc1ccc(cc1)S(=O)(=O)OCc2ccccc2,non-mutagenic
497-56-3,Cc1c(O)cc(cc1[N+](=O)[O-])[N+](=O)[O-],non-mutagenic
5003-48-5,CC(=O)Nc1ccc(OC(=O)c2ccccc2OC(=O)C)cc1,non-mutagenic
1165-39-5,COc1cc2OC3OC=CC3c2c4OC(=O)C5=C(CCOC5=O)c14,mutagenic
118517-21-8,CC(C)CCCC(C)C1CCC2C3CC4N(N5C(=O)c6ccccc6C5=O)C47CC(Cl)CCC7(C)C3CCC12C,non-mutagenic
111017-06-2,COc1cc2CCN(C=O)c3cc4ccccc4c(c1OC)c23,mutagenic
286-99-7,C1CCCCCC2OC2CCCC1,non-mutagenic
50438-75-0,CN(C)c1ccc(CCO)cc1,mutagenic
101489-26-3,Oc1cccc2Oc3cc4OC5OCCC5c4c(O)c3C(=O)c12,non-mutagenic
155798-37-1,CCN(CCCl)c1ccc(OCCCCCNc2c3ccccc3nc4ccccc24)cc1,mutagenic
17526-33-9,CC(=O)OCc1c2ccccc2cc3ccc4ccccc4c13,mutagenic
59-00-7,OC(=O)c1cc(O)c2cccc(O)c2n1,non-mutagenic
872-50-4,CN1CCCC1=O,non-mutagenic
573-56-8,Oc1c(cccc1[N+](=O)[O-])[N+](=O)[O-],non-mutagenic
75-86-5,CC(C)(O)C#N,non-mutagenic
NOCAS_M481,CC(C)C[C@@H](C)N,non-mutagenic
51-45-6,NCCc1c[nH]cn1,non-mutagenic
1596-84-5,CN(C)NC(=O)CCC(=O)O,non-mutagenic
575-44-0,Oc1ccc2c(O)cccc2c1,mutagenic
314-13-6,Cc1cc(ccc1N=Nc2ccc3c(cc(c(N)c3c2O)S(=O)(=O)O)S(=O)(=O)O)c4ccc(N=Nc5ccc6c(cc(c(N)c6c5O)S(=O)(=O)O)S(=O)(=O)O)c(C)c4,mutagenic
151751-83-6,CCOC(=O)N(CCC=O)N=O,mutagenic
27762-78-3,CCOC(C)C(=O)C(O)O,mutagenic
25584-83-2,CC(O)COC(=O)C=C,non-mutagenic
87436-71-3,OC1C=Cc2c(Br)c3ccc4ccccc4c3cc2C1O,non-mutagenic
93-45-8,Oc1ccc(Nc2ccc3ccccc3c2)cc1,non-mutagenic
6358-53-8,COc1ccc(OC)c(c1)N=Nc2c(O)ccc3ccccc23,mutagenic
26538-44-3,C[C@H]1CCC[C@@H](O)CCCCCc2cc(O)cc(O)c2C(=O)O1,non-mutagenic
602-38-0,[O-][N+](=O)c1cccc2cccc(c12)[N+](=O)[O-],mutagenic
309-36-4,CCC#C[C@@H](C)[C@@]1(CC=C)C(=O)NC(=O)N(C)C1=O,non-mutagenic
139259-94-2,CC(=O)ON(OCc1ccc(C)cc1)C(=O)c2ccccc2,mutagenic
114451-08-0,Cn1c(nc2c3cccnc3ccc12)[N+](=O)[O-],mutagenic
2784-86-3,CC(=O)Nc1ccc2c(Cc3ccccc23)c1O,non-mutagenic
50834-39-4,CSCCC(NC(=O)COc1ccc(Cl)cc1Cl)C(=O)O,non-mutagenic
111753-73-2,COc1ccc(cc1)C(=C(CCC(=O)O)C#N)c2ccc(OC)cc2,non-mutagenic
27602-80-8,COc1ccc(CC2CO2)cc1OC,mutagenic
117760-95-9,[O-][N+](=O)c1ccccc1SS\C(=C(/Cl)\C(=C(Cl)Cl)Cl)\Cl,mutagenic
173428-76-7,CC(=O)c1ccc2N=C3N(Cc2c1)C(=O)c4ccccc34,mutagenic
NOCAS_M528,O=C(C1CCCCC1)N2C[C@H]3N(CCc4ccccc34)C(=O)C2,non-mutagenic
96563-10-9,CC1c2cc(F)ccc2c3ccc(F)cc13,mutagenic
1892-54-2,Nc1ccc2ccc3ccccc3c2c1,mutagenic
139259-95-3,CC(=O)ON(OCc1ccc(cc1)c2ccccc2)C(=O)c3ccccc3,mutagenic
1174-72-7,O(c1ccccc1)[Si](Oc2ccccc2)(Oc3ccccc3)Oc4ccccc4,non-mutagenic
187585-43-9,COc1ccc(cc1[N+](=O)[O-])C2=C(C(=O)c3ccccc3O2)[N+](=O)[O-],mutagenic
1912-31-8,CCCOS(=O)(=O)C,mutagenic
603-83-8,Cc1c(N)cccc1[N+](=O)[O-],mutagenic
580-17-6,Nc1cnc2ccccc2c1,mutagenic
58-85-5,OC(=O)CCCCC1SCC2NC(=O)NC12,non-mutagenic
614-45-9,CC(C)(C)OOC(=O)c1ccccc1,mutagenic
34798-80-6,CC(=O)C1(CCNCC1)c2ccccc2,non-mutagenic
38579-27-0,NCCCCC(N)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CCCCN)C(=O)O,non-mutagenic
87-90-1,ClN1C(=O)N(Cl)C(=O)N(Cl)C1=O,non-mutagenic
122367-97-9,CC1CC2C(Cc3cn(CC4CC4)c5cc(Br)cc2c35)N(C)C1,non-mutagenic
14692-41-2,Cn1cnc2c3cccnc3ccc12,mutagenic
126370-96-5,Clc1ccc(CN2C3C2c4ccccc4c5ccccc35)cc1,mutagenic
51787-75-8,Nc1cc(ccc1c2ccc(cc2)[N+](=O)[O-])[N+](=O)[O-],mutagenic
74-85-1,C=C,non-mutagenic
130-17-6,Cc1ccc2nc(sc2c1S(=O)(=O)O)c3ccc(N)cc3,mutagenic
NOCAS_M137,OCN1[C@H](O)[C@@H](O)N(CO)C1=O,mutagenic
97851-14-4,Oc1ccc(cc1[N+](=O)[O-])c2cccc(c2)[N+](=O)[O-],mutagenic
102000-59-9,Nc1cccc(N)c1C(=O)O,mutagenic
113058-38-1,Oc1ccc2c3ccccc3c4cc5ccccc5cc4c2c1,mutagenic
106-38-7,Cc1ccc(Br)cc1,non-mutagenic
3375-84-6,CC(O)CN1CC(C)OC1=O,non-mutagenic
8047-99-2,CCNS(=O)(=O)c1ccccc1C,mutagenic
85-84-7,Nc1ccc2ccccc2c1N=Nc3ccccc3,non-mutagenic
612-57-7,Clc1ccc2ncccc2c1,mutagenic
59901-90-5,CC(=O)O[C@H]([C@@H]1CO1)c2ccc3OCOc3c2,mutagenic
141-32-2,CCCCOC(=O)C=C,non-mutagenic
2921-88-2,CCOP(=S)(OCC)Oc1nc(Cl)c(Cl)cc1Cl,non-mutagenic
2107-76-8,CC1=CC(=O)Oc2cc(O)cc(O)c12,non-mutagenic
117-02-2,Cc1c(O)cc2C(=O)c3ccccc3C(=O)c2c1O,mutagenic
122365-36-0,Nc1c2ncn(c2nc[n+]1[O-])C(c3ccccc3)(c4ccccc4)c5ccccc5,mutagenic
1672-88-4,[O-][N+](=O)c1oc(\C=C\C=N\N2CC(=O)NC2=O)cc1,mutagenic
21229-99-2,ONc1ccc(Sc2ccccc2)cc1,mutagenic
294-93-9,C1COCCOCCOCCO1,non-mutagenic
2417-77-8,BrCc1c2ccccc2cc3ccccc13,mutagenic
42397-65-9,[O-][N+](=O)c1ccc2ccc3ccc(c4ccc1c2c34)[N+](=O)[O-],mutagenic
3845-76-9,CN(C)CCCNC(=O)C=C,non-mutagenic
23043-60-9,Nc1cccc2nc3ccccc3c(N)c12,mutagenic
101043-65-6,[O-][N+](=O)c1ccc2ccc3c(ccc4ccc1c2c34)N=O,mutagenic
100-01-6,Nc1ccc(cc1)[N+](=O)[O-],mutagenic
4531-49-1,COc1ccccc1NC(=O)C(N=Nc2ccc(cc2Cl)c3ccc(N=NC(C(=O)C)C(=O)Nc4ccccc4OC)c(Cl)c3)C(=O)C,non-mutagenic
541-73-1,Clc1cccc(Cl)c1,non-mutagenic
18868-66-1,CCc1c2ccccc2cc3ccc4ccccc4c13,non-mutagenic
60687-93-6,CC(=O)NCCc1ccc(O)c(c1)c2c(O)c(O)c3C(=O)c4cc(O)c(C(=O)O)c(C(=O)O)c4C(=O)c3c2O,non-mutagenic
2373-98-0,Nc1ccc(cc1O)c2ccc(N)c(O)c2,mutagenic
33301-41-6,CS(=O)(=O)OC1CN(C1)C(c2ccccc2)c3ccccc3,mutagenic
60-23-1,NCCS,non-mutagenic
35077-51-1,CN(C(=O)C)c1ccc(cc1)N=Nc2ccc(cc2)N(C)C(=O)C,non-mutagenic
299-11-6,C[n+]1c2ccccc2nc3ccccc13,mutagenic
5275-46-7,CC(C)(N=O)[N+](=O)[O-],mutagenic
111-49-9,C1CCCNCC1,non-mutagenic
591-17-3,Cc1cccc(Br)c1,non-mutagenic
120-32-1,Oc1ccc(Cl)cc1Cc2ccccc2,non-mutagenic
104-94-9,COc1ccc(N)cc1,mutagenic
NOCAS_M122,CCOP(=O)(OCC)[C@@H](C)NC(=O)N(CCCl)N=O,mutagenic
3062-57-5,[O-][N+](=O)c1ccc2[nH]c3c(cccc3c2c1)[N+](=O)[O-],mutagenic
NOCAS_M440,C[C@@H](O)C(=O)O,non-mutagenic
139953-77-8,OC(=O)c1ccc(\C=N\n2nnc3c4ccccc4nc3c2O)cc1,mutagenic
95-19-2,CCCCCCCCCCCCCCCCCC1=NCCN1CCO,non-mutagenic
2243-47-2,Nc1cccc(c1)c2ccccc2,mutagenic
495-18-1,ONC(=O)c1ccccc1,mutagenic
140-31-8,NCCN1CCNCC1,non-mutagenic
1204-68-8,Cc1ccc(cc1)N(CCCl)CCCl,non-mutagenic
132172-58-8,OC1C=Cc2c(C1O)c3ccccc3c4cc5ccccc5cc24,mutagenic
146724-32-5,COC(=O)c1cc2ccc3cccnc3c2[nH]1,non-mutagenic
120812-46-6,[O-][N+](=O)c1ccc2ccc3cccc4c5CCCCc5c1c2c34,mutagenic
608-93-5,Clc1cc(Cl)c(Cl)c(Cl)c1Cl,non-mutagenic
965-52-6,Oc1ccc(cc1)C(=O)N\N=C\c2oc(cc2)[N+](=O)[O-],mutagenic
138805-32-0,CC(=O)Nc1ccc(C)c(c1)N=[N+]([O-])c2cc(NC(=O)C)ccc2C,non-mutagenic
315-22-0,C[C@H]1C(=O)O[C@H]2CCN3CC=C(COC(=O)[C@](C)(O)[C@]1(C)O)[C@H]23,non-mutagenic
135673-14-2,CC(=O)Nc1ccc(Oc2ccc(cc2)N=O)cc1,mutagenic
302-70-5,C[N+]([O-])(CCCl)CCCl,mutagenic
136-85-6,Cc1ccc2[nH]nnc2c1,non-mutagenic
185376-54-9,Cc1c(NO)cc(NO)cc1[N+](=O)[O-],mutagenic
143603-81-0,CCOC(=O)c1[nH]c2ccccc2c1\N=C\c3ccc(C)cc3,non-mutagenic
71382-49-5,N1C2C1c3cc4c(ccc5ccccc45)cc3c6ccccc26,mutagenic
19190-80-8,COC(=O)C1OC1c2ccccc2,mutagenic
98-94-2,CN(C)C1CCCCC1,non-mutagenic
42308-20-3,CC(Br)C(=O)Nc1ccccc1,mutagenic
96687-77-3,OC(=O)C1CSC(N1C(=O)CCSSCCC(=O)N2C(CSC2c3ccccc3O)C(=O)O)c4ccccc4O,non-mutagenic
NOCAS_M314,CN1C[C@@H](C=C2[C@@H]1Cc3c[nH]c4cccc2c34)C(=O)N[C@@]5(C)O[C@]6(O)[C@H]7CCCN7C(=O)[C@@H](Cc8ccccc8)N6C5=O,non-mutagenic
607-57-8,[O-][N+](=O)c1ccc2c(Cc3ccccc23)c1,mutagenic
34834-67-8,CN1C(CC(O)C1=O)c2cccnc2,non-mutagenic
19337-19-0,CC(=O)Nc1ccc(cc1)C(=O)\C=C\c2ccccc2,non-mutagenic
892-21-7,[O-][N+](=O)c1ccc2c3ccccc3c4cccc1c24,mutagenic
111-84-2,CCCCCCCCC,non-mutagenic
128531-59-9,CCN(CC)C(=S)SSCC(NC(=O)CCC(N)C(=O)O)C(=O)NCC(=O)O,non-mutagenic
603-50-9,CC(=O)Oc1ccc(cc1)C(c2ccc(OC(=O)C)cc2)c3ccccn3,non-mutagenic
5850-89-5,Cc1ccc(N=Nc2c(O)ccc3ccccc23)c(c1)S(=O)(=O)O,non-mutagenic
104499-47-0,CNCCN(Cc1ccc(OC)cc1)c2ccccn2,non-mutagenic
139953-95-0,CCCO\C=C\C=C\C=C\C=C\C=C\CC,mutagenic
13551-87-6,COC[C@H](O)Cn1ccnc1[N+](=O)[O-],mutagenic
3648-20-2,CCCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCCCC,non-mutagenic
89300-15-2,CC\C=C\C=C\C=C\C=C\C=C\OCC(O)CO,mutagenic
5166-35-8,CC(Cl)C(=C)C,mutagenic
523-61-5,COc1c(C(=O)O)c(O)nc2ccccc12,non-mutagenic
60-13-9,CC(N)Cc1ccccc1,non-mutagenic
108-30-5,O=C1CCC(=O)O1,non-mutagenic
495-48-7,[O-][N+](=Nc1ccccc1)c2ccccc2,mutagenic
69245-38-1,CC[C@@]1(O)C[C@H](O[C@H]2C[C@@H]([C@H](O[C@H]3C[C@H](O)[C@H](O[C@@H]4O[C@@H](C)C(=CC4=N)O)[C@H](C)O3)[C@H](C)O2)N(C)C)c5c(O)c6C(=O)c7c(O)ccc(O)c7C(=O)c6cc5[C@H]1C(=O)OC,mutagenic
97461-41-1,CC(C)(C)CNC(=O)\C=C\c1oc(cc1)[N+](=O)[O-],mutagenic
90-12-0,Cc1cccc2ccccc12,non-mutagenic
3411-58-3,CCOC(=O)C(N)CS,mutagenic
53737-95-4,O1C=C[C@H]2[C@@H]1Oc3ccccc23,mutagenic
50-29-3,Clc1ccc(cc1)C(c2ccc(Cl)cc2)C(Cl)(Cl)Cl,non-mutagenic
53478-38-9,CS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc4ccccc24)cc1,mutagenic
62-56-6,NC(=S)N,non-mutagenic
95-83-0,Nc1ccc(Cl)cc1N,mutagenic
77784-22-6,COc1ccc2c(cc3N(C)CCc4cc5OCOc5c2c34)c1OC,mutagenic
23077-88-5,OCCOc1cc(O)c2C(=O)C(=C(Oc2c1)c3ccc(OCCO)c(OCCO)c3)O,non-mutagenic
10125-76-5,O=Nc1ccc(cc1)c2ccccc2,mutagenic
102-70-5,C=CCN(CC=C)CC=C,non-mutagenic
79-36-7,ClC(Cl)C(=O)Cl,mutagenic
3722-54-1,COc1ccc2Oc3cc(OC)cc(OC)c3C(=O)c2c1,mutagenic
1122-62-9,CC(=O)c1ccccn1,non-mutagenic
139259-98-6,CC(=O)ON(OCc1ccc(cc1)[N+](=O)[O-])C(=O)c2ccccc2,mutagenic
8062-14-4,Nc1cc(N)c(cc1N=Nc2ccc(cc2)S(=O)(=O)N)N=Nc3ccc(cc3)S(=O)(=O)N,mutagenic
84506-41-2,COC(=O)C(C)CN=N#N,mutagenic
66842-41-9,C1O[C@@H]1c2cc3c4ccccc4ccc3c5ccccc25,mutagenic
100-75-4,O=NN1CCCCC1,mutagenic
83473-93-2,CSCCC(=O)N1C(CSC1c2ccccc2O)C(=O)O,non-mutagenic
101688-02-2,[O-][N+](=O)c1oc2ccc3cc(ccc3c2c1)N(CCCl)CCCl,mutagenic
138331-98-3,OC1OC(CN=N#N)C(O)C(O)C1O,mutagenic
26675-46-7,FC(F)OC(Cl)C(F)(F)F,non-mutagenic
121-57-3,Nc1ccc(cc1)S(=O)(=O)O,non-mutagenic
155164-60-6,ClC1=C(Cl)C(=O)N(N=C1)S(=O)(=O)c2ccc(Cl)cc2,non-mutagenic
104-40-5,CCCCCCCCCc1ccc(O)cc1,non-mutagenic
37597-20-9,COc1cc2CCN(Cc2cc1OC)N=O,mutagenic
6379-69-7,C\C=C\C(=O)OC1CC2OC3C=C(C)C(=O)CC3(C)C1(C)C24CO4,non-mutagenic
52101-49-2,CC(=O)c1oc(c(c2ccccc2)c1c3ccccc3)[N+](=O)[O-],mutagenic
599-07-5,CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(C5CCC34C)C(=O)O)C2C1)C(=O)O,non-mutagenic
491-64-5,COc1ccc2Oc3cc(O)cc(O)c3C(=O)c2c1,mutagenic
130-80-3,CCC(=O)Oc1ccc(cc1)\C(=C(/CC)\c2ccc(OC(=O)CC)cc2)\CC,non-mutagenic
710-25-8,NC(=O)\C=C\c1oc(cc1)[N+](=O)[O-],mutagenic
124858-35-1,CC1CCc2c(N3CCC(O)CC3)c(F)cc4C(=O)C(=CN1c24)C(=O)O,non-mutagenic
111-02-4,CC(=CCC\C(=C/CC\C(=C/CC\C=C(\C)/CC\C=C(\C)/CCC=C(C)C)\C)\C)C,non-mutagenic
58-15-1,CN(C)C1=C(C)N(C)N(C1=O)c2ccccc2,mutagenic
96-29-7,CC\C(=N/O)\C,mutagenic
136-95-8,Nc1nc2ccccc2s1,non-mutagenic
4813-50-7,CCCCOO,mutagenic
24777-14-8,COc1cc(ccc1O)c2nc(c3ccccc3)c([nH]2)c4ccccc4,mutagenic
396-01-0,Nc1nc(N)c2nc(c(N)nc2n1)c3ccccc3,non-mutagenic
585-08-0,O1C2C1c3ccccc3c4ccccc24,mutagenic
NOCAS_M94,C[C@@H]1[C@H](O)CCC2=CC(=O)[C@]3(O[C@H]3[C@@]12C)[C@H]4O[C@H]4CO,mutagenic
89415-69-0,BrCCOC(=O)C(=O)OCCBr,mutagenic
30461-65-5,Oc1cccc2Oc3c4[C@@H]5C=CO[C@H]5Oc4cc(O)c3C(=O)c12,mutagenic
48134-75-4,C[n+]1ccc(cc1)c2ccccc2,non-mutagenic
118-79-6,Oc1c(Br)cc(Br)cc1Br,non-mutagenic
73536-69-3,COC(=O)c1cc(OC)c2OCOc2c1c3c4OCOc4c(OC)cc3C(=O)OC,non-mutagenic
150446-00-7,Cc1c(\C=N\OCc2cccc(c2)[N+](=O)[O-])c3cc(ccc3n1Cc4ccccc4)[N+](=O)[O-],mutagenic
4514-19-6,Cc1cc2c3ccccc3cc4ccc5cccc1c5c24,mutagenic
280-57-9,C1CN2CCN1CC2,non-mutagenic
458-37-7,COc1cc(\C=C\C(=O)CC(=O)\C=C\c2ccc(O)c(OC)c2)ccc1O,non-mutagenic
7576-88-7,Cc1nc2ccc(N)cc2nc1C,mutagenic
NOCAS_M376,Cl[C@H]1C=C[C@@H]2[C@@H]1[C@@]3(Cl)C(=C(Cl)[C@]2(Cl)C3(Cl)Cl)Cl,non-mutagenic
106532-77-8,[O-][N+](=O)c1cccc(c1)C(=O)\N=C\2/SN(C(=O)c3cccc(c3)[N+](=O)[O-])c4ccc(cc24)[N+](=O)[O-],mutagenic
532-82-1,Nc1ccc(N=Nc2ccccc2)c(N)c1,mutagenic
NOCAS_M326,C[C@@H](O)CO,non-mutagenic
40809-41-4,CCC(CCCC(=O)O)COC(=O)c1ccccc1C(=O)O,non-mutagenic
2148-31-4,CC(=O)NC(CS\C(=C\Cl)\Cl)C(=O)O,mutagenic
106-63-8,CC(C)COC(=O)C=C,non-mutagenic
345667-60-9,CCc1ccc(\C=C\c2ccc(cc2)[N+](=O)[O-])cc1,mutagenic
606-22-4,Nc1c(cccc1[N+](=O)[O-])[N+](=O)[O-],mutagenic
75-99-0,CC(Cl)(Cl)C(=O)O,non-mutagenic
133-07-3,ClC(Cl)(Cl)SN1C(=O)c2ccccc2C1=O,mutagenic
147-24-0,CN(C)CCOC(c1ccccc1)c2ccccc2,non-mutagenic
219-08-9,C1C=Cc2c1ccc3c2ccc4ccccc34,mutagenic
16430-32-3,CC(=O)OCc1c2ccccc2cc3ccccc13,mutagenic
3121-61-7,COCCOC(=O)C=C,non-mutagenic
35282-68-9,CN(C)c1ccc(cc1)N=Nc2ccccc2CO,mutagenic
107-18-6,OCC=C,non-mutagenic
4901-51-3,Oc1cc(Cl)c(Cl)c(Cl)c1Cl,non-mutagenic
121-60-8,CC(=O)Nc1ccc(cc1)S(=O)(=O)Cl,non-mutagenic
84434-42-4,Cc1c(N)ccc(N=Nc2ccccc2)c1N,mutagenic
111-24-0,BrCCCCCBr,mutagenic
75-04-7,CCN,non-mutagenic
107-07-3,OCCCl,mutagenic
112-53-8,CCCCCCCCCCCCO,non-mutagenic
1785-51-9,O=C1C=Cc2ccc3C(=O)C=Cc4ccc1c2c34,mutagenic
149418-41-7,BrC1=C(Br)C(=O)OC1,mutagenic
634-93-5,Nc1c(Cl)cc(Cl)cc1Cl,non-mutagenic
191-30-0,c1ccc2c(c1)cc3ccc4cccc5c6ccccc6c2c3c45,mutagenic
110-96-3,CC(C)CNCC(C)C,non-mutagenic
88741-67-7,COc1ccc2C(=O)c3c(O)c(OC)cc4ccnc(c2c1)c34,mutagenic
61-82-5,Nc1nc[nH]n1,non-mutagenic
25413-02-9,CCOC(=O)CNC(=O)C(C)Br,mutagenic
145531-22-2,NCCCS(=O)(=O)Nc1ccc(Nc2c3ccc(cc3nc4ccc(cc24)N=N#N)N=N#N)cc1,mutagenic
74367-78-5,[O-][N+](=O)c1cc(CCl)cc(c1)[N+](=O)[O-],mutagenic
NOCAS_M188,C[C@@H](O)[C@H](NC(=O)[C@H](C)[C@H](O)[C@H](C)NC(=O)[C@@H](NC(=O)c1nc(nc(N)c1C)[C@H](CC(=O)N)NC[C@H](N)C(=O)N)[C@@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](OC(=O)N)[C@H]3O)c4c[nH]cn4)C(=O)NCCc5nc(cs5)c6nc(cs6)C(=O)NCCCN[C@H](C)c7ccccc7,mutagenic
7756-96-9,CCCCOC(=O)c1ccccc1N,non-mutagenic
16354-50-0,CCc1c2ccccc2c(C)c3c1ccc4ccccc34,non-mutagenic
93673-32-6,C1C2=C3C=CC=CC3=CC4=C5OC5=C(C24)c6ccccc16,mutagenic
2998-23-4,CCCCCOC(=O)C=C,non-mutagenic
926-06-7,CC(C)OS(=O)(=O)C,mutagenic
2422-79-9,Cc1c2ccccc2cc3ccc4ccccc4c13,mutagenic
86853-97-6,O=C1c2ccc3ccccc3c2c4c1ccc5ccccc45,mutagenic
59405-31-1,OS(=O)(=O)CNc1ccc(cc1)N=Nc2cccnc2,non-mutagenic
477-73-6,Cc1cc2nc3cc(C)c(N)cc3[n+](c4ccccc4)c2cc1N,mutagenic
69-09-0,CN(C)CCCN1c2ccccc2Sc3ccc(Cl)cc13,non-mutagenic
NOCAS_M393,COC(=C1[C@@H](C(=C(COC(=O)N)N=C1C)C(=O)OC(C)C)c2cccc(Cl)c2Cl)O,non-mutagenic
16238-56-5,Cc1c2ccccc2c(CBr)c3ccc4ccccc4c13,mutagenic
61788-44-1,C(=C\c1cccc(\C=C\c2ccccc2)c1)/c3ccccc3,non-mutagenic
17024-19-0,[O-][N+](=O)c1ccc2ccc3ccccc3c2c1,mutagenic
96287-03-5,Cc1cccn2c1nc3c(C)c(N)cnc23,mutagenic
71422-67-8,Fc1cccc(F)c1C(=O)NC(=O)Nc2cc(Cl)c(Oc3ncc(cc3Cl)C(F)(F)F)c(Cl)c2,non-mutagenic
NOCAS_M419,CCCCCCCCCCCCOC[C@H]1CO1,non-mutagenic
114414-79-8,CC1C2C(=Nc3ccccc23)N(C)c4ccccc14,mutagenic
3697-24-3,Cc1cc2ccccc2c3ccc4ccccc4c13,mutagenic
844-26-8,Oc1c(Cl)cc(Cl)cc1S(=O)c2cc(Cl)cc(Cl)c2O,mutagenic
14160-38-4,CC(C)(C)C1=CC(=O)C=C(C1=O)C2=CC(=O)C=C(C2=O)C(C)(C)C,mutagenic
2444-36-2,OC(=O)Cc1ccccc1Cl,non-mutagenic
26266-68-2,CCC(CCC=C)C=O,non-mutagenic
1698-60-8,NC1=C(Cl)C(=O)N(N=C1)c2ccccc2,non-mutagenic
20830-81-3,COc1cccc2C(=O)c3c(O)c4CC(O)(CC(OC5CC(N)C(O)C(C)O5)c4c(O)c3C(=O)c12)C(=O)C,mutagenic
67464-46-4,N1C2C1c3ccccc3c4ccccc24,mutagenic
NOCAS_M125,O1[C@@H]2[C@H]1c3c4ccccc4cc5c6ccccc6cc2c35,mutagenic
60-93-5,COc1ccc2nccc([C@@H](O)[C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1,non-mutagenic
91687-67-1,CC(Br)C(=O)NCc1ccc(Cl)cc1,mutagenic
70955-02-1,NNC(=O)CNc1ccc2ccccc2c1,non-mutagenic
138542-40-2,[O-][N+](=O)c1cc2ccc3cc4ccccc4c5ccc(c1)c2c35,mutagenic
105427-01-8,CC1(CO1)C(=O)Nc2ccccc2,mutagenic
66-22-8,Oc1ccnc(O)n1,non-mutagenic
162050-11-5,COC(=O)C1O\C(=N/O)\C(=C1Cl)Cl,non-mutagenic
97546-74-2,CC1(C)CC(C(=O)NC(CO)C(O)CO)C(C)(C)[N+]1=O,non-mutagenic
88492-34-6,Nc1ncnc2c1ncn2CC(O)CN=N#N,mutagenic
17528-53-9,OC(=O)COc1ccc(cc1)N(CCCl)CCCl,mutagenic
103616-17-7,OC(=O)C1=C(O)C(=O)C=CO1,non-mutagenic
602-01-7,Cc1cccc(c1[N+](=O)[O-])[N+](=O)[O-],mutagenic
128753-91-3,CC(=O)Oc1ccc2OC3(C)OOC3(C)c2c1,mutagenic
107097-80-3,CCCCCN(CCCOC)C(=O)C(CCC(=O)O)NC(=O)c1ccc(Cl)c(Cl)c1,non-mutagenic
30418-53-2,C=CC(=O)c1ccc2OCOc2c1,non-mutagenic
469-83-0,C[C@@]12CCc3occc3C1CC[C@@]45CC(CCC24)C(O)(CO)C5,non-mutagenic
65847-03-2,COc1c2ccoc2nc3c(O)c4OCOc4c(CC=C(C)C)c13,non-mutagenic
696-54-8,O\N=C\c1ccncc1,non-mutagenic
33979-15-6,CC1\C=C(\C=C)/C(=O)OC2CC[N+]3(C)CC=C(COC(=O)C1(C)OC(=O)C)C23O,mutagenic
142-84-7,CCCNCCC,non-mutagenic
NOCAS_M37,N[C@H](CCC(=O)N[C@H](CSc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])C(=O)NCC(=O)O)C(=O)O,mutagenic
33203-82-6,CCN(CC)c1ccc2nc3ccc(cc3[o+]c2c1)N(CC)CC,mutagenic
109143-20-6,COc1ccc(N(CCCl)CCCl)c2cc(oc12)[N+](=O)[O-],mutagenic
124617-85-2,CCCCCCCCON(OC(=O)C)C(=O)c1ccccc1,mutagenic
6795-16-0,COc1cc2OC3OCCC3c2c4Oc5cccc(O)c5C(=O)c14,non-mutagenic
531-85-1,Nc1ccc(cc1)c2ccc(N)cc2,mutagenic
625-86-5,Cc1oc(C)cc1,non-mutagenic
16339-05-2,CCCCCN(CCCC)N=O,mutagenic
98046-72-1,Cc1cccn2c1nc3c(C)c(NO)cnc23,mutagenic
303-47-9,C[C@H]1Cc2c(Cl)cc(C(=O)N[C@H](Cc3ccccc3)C(=O)O)c(O)c2C(=O)O1,non-mutagenic
97606-15-0,N1C2C1c3cscc3c4cscc24,mutagenic
NOCAS_M191,Clc1ccc(CC[C@H]2CO2)cc1,mutagenic
134959-60-7,Cc1ccc(\N=C\c2cccc3cccnc23)c(c1)C(=O)O,non-mutagenic
121-69-7,CN(C)c1ccccc1,non-mutagenic
253-73-6,c1cnc2cnncc2c1,non-mutagenic
96-26-4,OCC(=O)CO,mutagenic
100-21-0,OC(=O)c1ccc(cc1)C(=O)O,non-mutagenic
20927-95-1,[O-][N+](=O)c1ccc2oc3ccccc3c2c1,mutagenic
553-24-2,CN(C)c1ccc2nc3cc(C)c(N)cc3nc2c1,mutagenic
114020-51-8,COc1cccc2c1CC(c3ccc4OCOc4c23)[N+](=O)[O-],mutagenic
528-75-6,[O-][N+](=O)c1ccc(C=O)c(c1)[N+](=O)[O-],mutagenic
6217-19-2,CCN(CC)c1ccc(cc1)[N+]#N,mutagenic
121-14-2,Cc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],mutagenic
1912-24-9,CCNc1nc(Cl)nc(NC(C)C)n1,non-mutagenic
162022-91-5,COc1nncc2ccncc12,non-mutagenic
NOCAS_M308,N[C@@H](Cc1ccc(O)c(c1)[N+](=O)[O-])C(=O)O,non-mutagenic
69658-91-9,CN(N=O)c1cccnc1,non-mutagenic
101-72-4,CC(C)Nc1ccc(Nc2ccccc2)cc1,non-mutagenic
151910-75-7,OC1C=Cc2c(ccc3cc4c(cc23)C(O)C(O)c5ccccc45)C1O,non-mutagenic
4399-80-8,CC1(C)CC(C(=O)N)C(C)(C)N1O,non-mutagenic
159092-69-0,[O-][N+](=O)c1ccc2c(ccc3ccc(cc23)[N+](=O)[O-])c1,mutagenic
127-90-2,ClC(COCC(Cl)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl,mutagenic
1222-98-6,[O-][N+](=O)c1ccc(\C=C\C(=O)c2ccccc2)cc1,mutagenic
194-03-6,c1cc2ccc3cccc4ncc(c1)c2c34,mutagenic
67411-86-3,OCc1cc2ccccc2c3ccc4ccccc4c13,mutagenic
150446-03-0,Cc1c(\C=N\OCc2ccccc2)c3cc(ccc3n1Cc4cccc(c4)[N+](=O)[O-])[N+](=O)[O-],mutagenic
92-06-8,c1ccc(cc1)c2cccc(c2)c3ccccc3,non-mutagenic
110-72-5,CCNCCN,non-mutagenic
130942-88-0,Cc1c2ccccc2c(COS(=O)(=O)O)c3ccccc13,mutagenic
113163-24-9,C1Cc2ccc3cccnc3c2C4OC14,mutagenic
2045-52-5,CN(C)CCN(Cc1ccccc1)c2ccccc2,non-mutagenic
112-92-5,CCCCCCCCCCCCCCCCCCO,non-mutagenic
187585-11-1,COc1ccc(cc1N)C2=C(N)C(=O)c3ccccc3O2,mutagenic
6807-96-1,Oc1cc(O)c2C(=O)c3c(O)c4[C@@H]5C=CO[C@@H]5Oc4cc3C(=O)c2c1,mutagenic
98499-61-7,CSCNc1ccccc1C(=O)C,non-mutagenic
531-75-9,OC[C@H]1O[C@@H](Oc2cc3C=CC(=O)Oc3cc2O)[C@H](O)[C@@H](O)[C@@H]1O,non-mutagenic
117-79-3,Nc1ccc2C(=O)c3ccccc3C(=O)c2c1,mutagenic
98-30-6,CS(=O)(=O)c1ccc(O)c(N)c1,non-mutagenic
118244-44-3,CC(=CCC\C(=C\CC\C(=C\C(=O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)C=CC4(C)C3C(O)CC12C)\C)\C)C,non-mutagenic
27729-95-9,COc1ccc(cc1)[C@H]2O[C@@H]2C(=O)c3ccccc3,mutagenic
384-22-5,[O-][N+](=O)c1ccccc1C(F)(F)F,non-mutagenic
16650-32-1,Fc1ccc(F)c2ncccc12,mutagenic
24167-40-6,CCN(CC)CCn1nc2c3ccc(Cl)cc3Sc4c(CO)ccc1c24,mutagenic
129665-16-3,[O-][n+]1c2ccccc2c3ccc4cccc5ccc1c3c45,mutagenic
128669-18-1,CN1C=CN(CCOCC#C)C1\C=N\O,non-mutagenic
105708-73-4,CC(=O)OCc1c2cccc3ccc4cc5cccc6ccc1c(c56)c4c23,mutagenic
6795-27-3,CC(=O)N\N=C\C1=CN(O)c2ccccc2N1O,mutagenic
NOCAS_M153,Cl[C@@H]1CN(C[C@H]1Cl)N=O,mutagenic
2243-62-1,Nc1cccc2c(N)cccc12,mutagenic
14919-77-8,NC(CO)C(=O)NNCc1ccc(O)c(O)c1O,mutagenic
611-23-4,Cc1ccccc1N=O,mutagenic
60877-91-0,Oc1cccc(\C=N\c2snc3ccccc23)c1,mutagenic
835-71-2,Cc1ccc(cc1)c2oc3ccccc3n2,non-mutagenic
14204-98-9,CNc1ccc2ncccc2c1N,non-mutagenic
16169-16-7,ONc1ccc(cc1)[N+](=O)[O-],mutagenic
122-80-5,CC(=O)Nc1ccc(N)cc1,mutagenic
716-53-0,Clc1c2ccccc2cc3ccccc13,mutagenic
NOCAS_M295,CCCCOC[C@H]1CO1,mutagenic
85-98-3,CCN(C(=O)N(CC)c1ccccc1)c2ccccc2,non-mutagenic
128-37-0,Cc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C,non-mutagenic
58-19-5,CC1CC2(C)C(CCC3C4CCC(O)C4(C)CCC23)CC1=O,non-mutagenic
NOCAS_M559,CC[C@@H](C)N,non-mutagenic
62573-57-3,CCC(CC)c1cccc(OC(=O)N(C)N=O)c1,mutagenic
147974-61-6,CC(=O)c1cc(Cc2ccc(N)c(c2)C(=O)C)ccc1N,mutagenic
97-18-7,Oc1c(Cl)cc(Cl)cc1Sc2cc(Cl)cc(Cl)c2O,non-mutagenic
25413-64-3,CCCCN(CCC)N=O,mutagenic
116169-87-0,Cn1ccnc1N=O,mutagenic
130536-37-7,O1C2C=Cc3ncccc3C12,non-mutagenic
3688-79-7,COc1ccc2c3ccccc3C(=O)c4cccc1c24,mutagenic
35945-34-7,CCN(CC)c1ccc(cc1)N=Nc2ccc(cc2C#N)[N+](=O)[O-],mutagenic
57-92-1,CNC1C(O)C(O)C(CO)OC1OC2C(OC3C(O)C(O)C(N=C(N)N)C(O)C3N=C(N)N)OC(C)C2(O)C=O,mutagenic
26093-31-2,CC1=CC(=O)Oc2cc(N)ccc12,non-mutagenic
95331-48-9,CC(=O)N(O)c1ccc2ccc3cccc4ccc1c2c34,mutagenic
90243-66-6,CC1SCC(NC1=O)C(=O)NC(Cc2c[nH]cn2)C(=O)N3CCCC3C(=O)N,non-mutagenic
3366-61-8,CC(=O)Nc1ccc(cc1)c2ccc(N)cc2,mutagenic
834-28-6,NC(=N)N=C(N)NCCc1ccccc1,non-mutagenic
1155-38-0,Cc1c2C3OC3c4ccccc4c2cc5ccccc15,mutagenic
132172-57-7,OC1C=Cc2c(C1O)c3cc4ccccc4cc3c5ccccc25,mutagenic
NOCAS_M486,CCCC[C@@H](CC)COC(=O)CCCCCCCCC(=O)OC[C@H](CC)CCCC,non-mutagenic
18024-11-8,Cc1ccc(C)c2c1c3ccccc3n2C,mutagenic
36099-26-0,C1O[C@@H]1c2ccc(cc2)c3ccccc3,mutagenic
527-17-3,CC1=C(C)C(=O)C(=C(C)C1=O)C,non-mutagenic
106-42-3,Cc1ccc(C)cc1,non-mutagenic
146-22-5,[O-][N+](=O)c1ccc2NC(=O)CN=C(c3ccccc3)c2c1,non-mutagenic
6325-54-8,ClCc1c2ccccc2cc3c1ccc4ccccc34,mutagenic
498-02-2,COc1cc(ccc1O)C(=O)C,non-mutagenic
95-87-4,Cc1ccc(C)c(O)c1,non-mutagenic
13345-62-5,Cc1c2ccccc2c(CCl)c3ccc4ccccc4c13,mutagenic
314084-63-4,CCc1cc(cc(CC)c1N)c2ccccc2,non-mutagenic
121625-58-9,CC1=CC2CCCCC2c3ccccc13,mutagenic
110044-40-1,Cc1cc2c3C4OC4C(O)C(O)c3ccc2c5ccccc15,non-mutagenic
71-23-8,CCCO,non-mutagenic
2798-25-6,COc1cc(O)c2C(=O)c3c(O)ccc(O)c3Oc2c1,mutagenic
99-09-2,Nc1cccc(c1)[N+](=O)[O-],mutagenic
16757-81-6,Cc1ccc2ccc3c4ccccc4cc5ccc1c2c35,mutagenic
11042-64-1,COc1cc(\C=C\C(=O)OC2CCC34CC35CCC6(C)C(CCC6(C)C5CCC4C2(C)C)C(C)CCC=C(C)C)ccc1O,non-mutagenic
7319-59-7,CC(=O)OC1Cc2c(C)ccc3cc4c(ccc5ccccc45)c1c23,mutagenic
NOCAS_M186,C[C@@H](O)[C@H](NC(=O)[C@@H](C)[C@@H](O)[C@@H](C)NC(=O)[C@H](NC(=O)c1nc(nc(N)c1C)[C@H](CC(=O)N)NC[C@@H](N)C(=O)N)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](OC(=O)N)[C@H]3O)c4c[nH]cn4)C(=O)NCCc5nc(cs5)c6nc(cs6)C(=O)NCCCCN=C(N)N,mutagenic
22181-94-8,CCOC(=O)CNC(=O)CCCCSc1[nH]cnc2ncnc12,non-mutagenic
NOCAS_M412,CCCCCCCCCCCCCC[C@H]1CO1,non-mutagenic
70-34-8,[O-][N+](=O)c1ccc(F)c(c1)[N+](=O)[O-],mutagenic
5381-79-3,Cn1cnc2ccc(cc12)[N+](=O)[O-],mutagenic
57541-73-8,Br[C@H]1CCN(C[C@@H]1Br)N=O,mutagenic
67019-20-9,CCC(=O)Nc1snc2ccccc12,non-mutagenic
86-42-0,CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O,non-mutagenic
69686-05-1,C[C@H]1O[C@@H](Oc2cc(O)c3C(=O)c4c(O)cc(C)cc4C(=O)c3c2)[C@H](O)[C@@H](O)[C@@H]1O,mutagenic
67-66-3,ClC(Cl)Cl,non-mutagenic
142713-63-1,COc1ccc(CNC(=O)C(C)Br)cc1,mutagenic
477-30-5,CNC1CCc2cc(OC)c(OC)c(OC)c2C3=CC=C(OC)C(=O)C=C13,non-mutagenic
118-74-1,Clc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl,non-mutagenic
67587-52-4,OC1CN(CCO1)N=O,mutagenic
6943-00-6,Clc1ccc(cc1)N2C(=O)CCC2=O,non-mutagenic
220168-45-6,Clc1ccc(cc1)C(=O)ON(OCc2ccccc2)C(=O)c3ccccc3,mutagenic
6483-86-9,OS(=O)(=O)c1ccc2C(=O)c3c(cccc3[N+](=O)[O-])C(=O)c2c1,mutagenic
10087-89-5,O=C(NC1CCCCC1)OC(C#C)(c2ccccc2)c3ccccc3,mutagenic
10387-13-0,ClCc1c2ccccc2c(CCl)c3ccccc13,mutagenic
55380-34-2,C[C@@H]1CN(C[C@H](C)N1N=O)N=O,mutagenic
98-46-4,[O-][N+](=O)c1cccc(c1)C(F)(F)F,non-mutagenic
111955-22-7,OC1COC(NCCc2c[nH]c3ccccc23)C(O)C1O,mutagenic
327-97-9,O[C@H]1C[C@](O)(C[C@@H](OC(=O)\C=C/c2ccc(O)c(O)c2)[C@@H]1O)C(=O)O,non-mutagenic
116-66-5,Cc1c(cc2c(c1[N+](=O)[O-])C(C)(C)CC2(C)C)[N+](=O)[O-],non-mutagenic
133960-22-2,COC(=O)c1oc(N(O)C(=O)C)c(c2ccccc2)c1c3ccccc3,non-mutagenic
NOCAS_M235,O[C@H]1CO[C@H]([C@H](O)[C@@H]1O)N(N=O)c2ccc(cc2)[N+](=O)[O-],mutagenic
484-78-6,NC(CC(=O)c1cccc(O)c1N)C(=O)O,non-mutagenic
50-00-0,C=O,mutagenic
56222-35-6,O[C@@H]1CCN(C1)N=O,mutagenic
132-27-4,Oc1ccccc1c2ccccc2,non-mutagenic
18172-33-3,CC(=O)C1=C(O)C2C3C(Cc4cccc5[nH]cc3c45)C(C)(C)N2C1=O,mutagenic
107673-65-4,[O-][N+](=O)C1=Cc2c3c1cccc3cc4ccc5ccccc5c24,mutagenic
24930-41-4,c1ccc2c(c1)nc3ccc4cccc5ccc2c3c45,mutagenic
52021-61-1,CC(=O)OCC[C@@H](C=O)c1c(O)cc2C(=O)c3cc(O)cc(O)c3C(=O)c2c1O,mutagenic
146795-26-8,COc1ccc(NC(=O)c2csc(c2)[N+](=O)[O-])cc1,mutagenic
116-31-4,C\C(=C\C=O)\C=C/C=C(/C)\C=C/C1=C(C)CCCC1(C)C,mutagenic
115655-93-1,CC(=CCC[C@@](C)(O)[C@H]1CCC=CC1=O)C,mutagenic
43047-59-2,CCN(CC)CCn1nc2ccc(CO)c3c4ccc(Cl)cc4Sc1c23,mutagenic
94-45-1,CCOc1ccc2nc(N)sc2c1,mutagenic
1260-17-9,Cc1c(C(=O)O)c(O)cc2C(=O)c3c(O)c(O)c([C@H]4O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]4O)c(O)c3C(=O)c12,mutagenic
1918-00-9,COc1c(Cl)ccc(Cl)c1C(=O)O,non-mutagenic
56980-94-0,CC(=O)c1cc(N)ccc1OCC(O)CNC(C)(C)C,non-mutagenic
16423-68-0,Oc1c(I)cc2c(Oc3c(I)c(O)c(I)cc3C24OC(=O)c5ccccc45)c1I,non-mutagenic
1468-95-7,OCc1c2ccccc2cc3ccccc13,mutagenic
75-75-2,CS(=O)(=O)O,non-mutagenic
2050-92-2,CCCCCNCCCCC,non-mutagenic
146-56-5,OCCN1CCN(CCCN2c3ccccc3Sc4ccc(cc24)C(F)(F)F)CC1,non-mutagenic
23043-62-1,Nc1ccc2nc3ccccc3c(N)c2c1,mutagenic
7790-98-9,[O-]Cl(=O)(=O)=O,non-mutagenic
98-55-5,CC1=CCC(CC1)C(C)(C)O,non-mutagenic
2226-96-2,CC1(C)CC(O)CC(C)(C)N1O,mutagenic
126370-99-8,COc1ccc(CN2C3C2c4ccccc4c5ccccc35)cc1,mutagenic
154-41-6,C[C@@H](N)[C@@H](O)c1ccccc1,non-mutagenic
106-23-0,CC(CCC=C(C)C)CC=O,non-mutagenic
6850-22-2,Cn1cc2ccc(cc2n1)[N+](=O)[O-],mutagenic
73936-27-3,Fc1ccc(cc1)C(=O)[C@H]2O[C@@H]2c3ccccc3,mutagenic
117-84-0,CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC,non-mutagenic
17924-92-4,C[C@H]1CCCC(=O)CCC\C=C/c2cc(O)cc(O)c2C(=O)O1,non-mutagenic
135-51-3,Oc1cc2ccc(cc2cc1S(=O)(=O)O)S(=O)(=O)O,non-mutagenic
89641-97-4,[O-][N+](=O)c1cccc2cnsc12,mutagenic
852-20-0,Oc1c(Sc2cc(Cl)cc(c2O)[N+](=O)[O-])cc(Cl)cc1[N+](=O)[O-],non-mutagenic
70021-99-7,[O-][N+](=O)c1ccc2ccc3cc4ccccc4c5ccc1c2c35,mutagenic
139953-78-9,COC(=O)c1ccc(\C=N\n2nnc3c4ccccc4nc3c2O)cc1,mutagenic
2746-81-8,CCCCCCC(=O)OCCN1CCN(CCCN2c3ccccc3Sc4ccc(cc24)C(F)(F)F)CC1,non-mutagenic
96918-27-3,[O-][N+](=O)c1oc2cc3ccc4cccc5ccc(c2c1)c3c45,mutagenic
86831-65-4,CCN(CC)N(O)N=O,mutagenic
6287-38-3,Clc1ccc(C=O)cc1Cl,non-mutagenic
75965-74-1,COc1ccc2c(ccc3oc(cc23)[N+](=O)[O-])c1,mutagenic
16339-07-4,CN1CCN(CC1)N=O,mutagenic
34049-50-8,CNc1ccc(cc1)N=Nc2ccc(NC)cc2,non-mutagenic
6149-34-4,Nc1ccc(Nc2ccc(cc2)[N+](=O)[O-])cc1,mutagenic
94-81-5,Cc1cc(Cl)ccc1OCCCC(=O)O,non-mutagenic
110-80-5,CCOCCO,non-mutagenic
632-79-1,Brc1c(Br)c(Br)c2C(=O)OC(=O)c2c1Br,non-mutagenic
94-52-0,[O-][N+](=O)c1ccc2[nH]cnc2c1,mutagenic
552-89-6,[O-][N+](=O)c1ccccc1C=O,mutagenic
99-96-7,OC(=O)c1ccc(O)cc1,non-mutagenic
68-22-4,CC12CCC3C(CCC4=CC(=O)CCC34)C1CCC2(O)C#C,non-mutagenic
99-34-3,OC(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-],mutagenic
24938-64-5,Nc1ccc(NC(=O)c2ccc(cc2)C(=O)O)cc1,non-mutagenic
6029-82-9,C\C=C(/C)\C(=O)OC1CCN2CC=C(CO)C12,non-mutagenic
79-01-6,ClC=C(Cl)Cl,non-mutagenic
23245-64-9,[O-][N+](=O)c1cccc2c(cccc12)C#N,mutagenic
41069-00-5,[O-][N+](=O)c1ccc(cc1)C(=O)[C@H]2O[C@@H]2c3ccccc3,mutagenic
67-48-1,C[N+](C)(C)CCO,non-mutagenic
130796-74-6,OCC1OC(C(O)C1O)n2cnc3c(NCC(O)COc4cccc5ccccc45)ncnc23,non-mutagenic
58430-01-6,Cc1cc2nc3c(ccc4ccccc34)c(C)c2cc1C,mutagenic
107-86-8,CC(=CC=O)C,non-mutagenic
2648-51-3,ClC(=CC=O)Cl,mutagenic
23703-14-2,C(C1CO1)c2ccc(cc2)c3ccccc3,mutagenic
NOCAS_M539,CCCCCCCCCCCCCCCC[C@H]1CO1,non-mutagenic
11012-59-2,C\C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C(=O)O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)\C=C\C=C(\C)/C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O,non-mutagenic
118517-20-7,CC(C)CCC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3C[C@@H]4N(N5C(=O)c6ccccc6C5=O)[C@@]47C[C@H](CC[C@]7(C)[C@H]3CC[C@]12C)OC(=O)C,mutagenic
89-57-6,Nc1ccc(O)c(c1)C(=O)O,non-mutagenic
603-34-9,c1ccc(cc1)N(c2ccccc2)c3ccccc3,non-mutagenic
57333-96-7,CC(C)C(O)CCC(C)C1CCC2\C(=C\C=C\3/CC(O)CC(O)C3=C)\CCCC12C,non-mutagenic
824-69-1,Oc1cc(Cl)c(O)cc1Cl,non-mutagenic
77-99-6,CCC(CO)(CO)CO,non-mutagenic
4861-85-2,CC(C)OC(=O)Cc1ccccc1,non-mutagenic
104010-37-9,CO\N=C(/C(=O)NC1C2SCC(=C(N2C1=O)C(=O)O)CSC(=O)c3occc3)\c4csc(N)n4,non-mutagenic
7119-89-3,[O-][N+](=O)C(Cl)Cl,mutagenic
87-25-2,CCOC(=O)c1ccccc1N,non-mutagenic
38915-58-1,ClCCNCCCNc1c2ccccc2nc3c1ccc4cccnc34,mutagenic
123442-39-7,COc1cc2OC(=C(O)C(=O)c2cc1OC)c3ccc(O)cc3,non-mutagenic
120-66-1,CC(=O)Nc1ccccc1C,mutagenic
143-67-9,CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C2)(C(=O)OC)c5cc6c(cc5OC)N(C)C7C(O)(C(OC(=O)C)C8(CC)C=CCN9CCC67C89)C(=O)OC)C1,non-mutagenic
110004-69-8,COc1cc(NS(=O)(=O)C)ccc1Nc2c3ccc(cc3nc4c(C)cccc24)N=N#N,mutagenic
17902-23-7,FC1=CN(C2CCCO2)C(=O)NC1=O,non-mutagenic
151-56-4,C1CN1,mutagenic
116355-84-1,CCCCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O)C(CC(C)CCCCCCC(O)CC(O)C(C)N)OC(=O)CC(CC(=O)O)C(=O)O,non-mutagenic
92116-66-0,Cc1cnc2ccc3c(ncn3C)c2n1,non-mutagenic
134109-02-7,OC1C=Cc2cc3c(ccc4ccccc34)c(Cl)c2C1O,non-mutagenic
132-64-9,o1c2ccccc2c3ccccc13,non-mutagenic
874-60-2,Cc1ccc(cc1)C(=O)Cl,mutagenic
123-75-1,C1CCNC1,non-mutagenic
4075-79-0,CC(=O)Nc1ccc(cc1)c2ccccc2,mutagenic
2085-88-3,CC1(CO1)c2ccccc2,mutagenic
1516-71-8,Cn1c(N=N#N)nc2c3ccccc3ccc12,mutagenic
101821-43-6,NC(=N)c1ccc2c(N)c([nH]c2c1)C(=N)N,non-mutagenic
NOCAS_M475,O[C@H]1N=C(c2ccccc2)c3cc(Cl)ccc3NC1=O,non-mutagenic
64099-27-0,COc1nsc2c(N)cccc12,mutagenic
592-62-1,CC(=O)OCN=[N+](C)[O-],non-mutagenic
187537-22-0,CC(=O)NCC(O)COc1cccc2ccccc12,non-mutagenic
17075-03-5,Nc1cc2cccc3ccc4cccc1c4c23,mutagenic
463-04-7,CCCCCON=O,mutagenic
109-21-7,CCCCOC(=O)CCC,non-mutagenic
25013-16-5,COc1ccc(O)cc1C(C)(C)C,non-mutagenic
87185-24-8,[O-][N+](=O)c1cc2cccc(c2cc1[N+](=O)[O-])[N+](=O)[O-],mutagenic
57409-54-8,CC(Br)(CO)CBr,non-mutagenic
3033-77-0,C[N+](C)(C)CC1CO1,mutagenic
128753-99-1,CC12OOC1(COC(=O)Nc3ccc(Cl)cc3)Oc4ccccc24,mutagenic
109-02-4,CN1CCOCC1,non-mutagenic
39781-21-0,Cc1ccc(cc1C)N=Nc2c(O)ccc3ccccc23,non-mutagenic
58336-35-9,O=C1Oc2c3CCCN4CCCc(cc2C=C1)c34,mutagenic
541-59-3,O=C1NC(=O)C=C1,mutagenic
103393-70-0,ClCc1cc2c3ccccc3c4cccc(c1)c24,mutagenic
125369-79-1,Clc1ccc(cc1)\C(=C\C=C\c2ccccc2)\C#N,mutagenic
2586-60-9,Nc1ccc2cc(cc(O)c2c1N=Nc3ccc(cc3)c4ccc(cc4)N=Nc5c(N)ccc6cc(cc(O)c56)S(=O)(=O)O)S(=O)(=O)O,mutagenic
534-07-6,ClCC(=O)CCl,mutagenic
134308-13-7,Cc1ccc(cc1)C(=O)c2cc(O)c(O)c(c2)[N+](=O)[O-],non-mutagenic
1239-45-8,CC[n+]1c(c2ccccc2)c3cc(N)ccc3c4ccc(N)cc14,mutagenic
159092-74-7,[O-][N+](=O)c1cccc2cc(c3ccccc3c12)[N+](=O)[O-],mutagenic
502-65-8,CC(=CCC\C(=C\C=C\C(=C\C=C\C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C=C(/C)\CCC=C(C)C)\C)\C)\C)C,non-mutagenic
64808-48-6,OC(=O)c1ccccc1Nc2cc(Cl)ccc2C(=O)O,non-mutagenic
108-73-6,Oc1cc(O)cc(O)c1,non-mutagenic
72-14-0,Nc1ccc(cc1)S(=O)(=O)Nc2nccs2,non-mutagenic
13164-04-0,CC(C)(O)C1Cc2cc3C=C(C(=O)Oc3cc2O1)C(C)(C)C=C,mutagenic
2457-47-8,Clc1cncc(Cl)c1,non-mutagenic
100129-07-5,CC(Br)C(=O)N(C)Cc1ccccc1,non-mutagenic
756-79-6,COP(=O)(C)OC,non-mutagenic
67-64-1,CC(=O)C,non-mutagenic
31698-14-3,OC[C@H]1O[C@H]2[C@@H](OC3=NC(=N)C=CN23)[C@@H]1O,non-mutagenic
60-24-2,OCCS,non-mutagenic
736-31-2,[O-][N+](=O)c1ccc(\C=C\c2ccc(cc2)[N+](=O)[O-])cc1,mutagenic
70786-65-1,CC(=O)N(O)c1ccccc1C,mutagenic
64810-99-7,OS(=O)(=O)Oc1ccc2ccc3cc4ccccc4c5ccc1c2c35,mutagenic
NOCAS_M247,CC(C)(C)OC(=O)[C@H](N)CN=[N+]=[N-],mutagenic
16452-01-0,COc1cc(N)ccc1C,mutagenic
110520-17-7,c1ccc2c(c1)c3ccccc3c4cc5cnccc5cc24,mutagenic
132663-51-5,CCC(=O)OCc1ccccc1[N+](=O)[O-],non-mutagenic
158729-22-7,Clc1ccccc1NS(=O)(=O)c2cccc3cccnc23,non-mutagenic
148193-30-0,Nc1ccc2snc(Cl)c2c1,mutagenic
26921-17-5,CC(C)(C)NCC(O)COc1nsnc1N2CCOCC2,non-mutagenic
106671-91-4,Clc1ccc(cc1)c2nc3sccn3c2N=O,mutagenic
128753-94-6,OCC12OOC1(CO)c3ccccc3O2,non-mutagenic
NOCAS_M136,CC[C@@H](C)NC(=O)\C=C\c1oc(cc1)[N+](=O)[O-],mutagenic
84-65-1,O=C1c2ccccc2C(=O)c3ccccc13,mutagenic
64201-63-4,O[C@H]1[C@H](O)[C@H](O[C@H]([C@@H]1O)C(=O)O)N(O)c2ccc(cc2)c3ccccc3,mutagenic
484-29-7,COc1c2ccoc2nc3ccccc13,mutagenic
121010-10-4,CC(C)(C)NCC(O)COc1ccccc1C2=CCCC2,non-mutagenic
4635-87-4,C\C=C\CC#N,non-mutagenic
41093-60-1,C[C@@]12CCC[C@](C)([C@H]1CC[C@]34CC(=C)[C@](CC[C@@H]23)(C4)O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C(=O)O,non-mutagenic
74-96-4,CCBr,mutagenic
10228-40-7,Cc1cc(O)c2C(=O)c3c(O)c(O)c(O)cc3C(=O)c2c1,non-mutagenic
NOCAS_M168,C[C@@H](O)CBr,mutagenic
109875-47-0,Nc1nc(nc2c1ncn2C3OC(CO)C(O)C3O)c4cccc(c4)[N+](=O)[O-],mutagenic
188699-57-2,COc1nc2cccc(CBr)c2nc1OC,mutagenic
51938-12-6,CCCN(CCCCO)N=O,mutagenic
32066-79-8,Cc1ccc(cc1)[N+]#N,mutagenic
23282-20-4,CC1=CC2OC3C(O)C(O)C(C)(C34CO4)C2(CO)C(O)C1=O,non-mutagenic
612-23-7,[O-][N+](=O)c1ccccc1CCl,mutagenic
24385-10-2,COc1cccc2C(=O)c3c(O)c4CC(O)(CC(O)c4c(O)c3C(=O)c12)C(=O)CO,mutagenic
166546-20-9,CN1CCN(CC1)c2ccc3[nH]c(Cc4ccc5[nH]c(nc5c4)c6ccc(cc6)N(CCCl)CCCl)nc3c2,non-mutagenic
624-83-9,CN=C=O,non-mutagenic
64-69-7,OC(=O)CI,mutagenic
13345-21-6,Oc1ccc2ccc3c4ccccc4cc5ccc1c2c35,mutagenic
106-97-8,CCCC,non-mutagenic
161696-99-7,CNc1ccc2nc(C)cnc2c1C,mutagenic
1488-21-7,C1CC23OC2(C1)C=CC=C3,mutagenic
135086-91-8,Oc1c2nc3ccccc3c2nnn1\N=C\c4ccc(cc4)[N+](=O)[O-],mutagenic
83-44-3,CC(CCC(=O)O)C1CCC2C3CCC4CC(O)CCC4(C)C3CC(O)C12C,mutagenic
92-66-0,Brc1ccc(cc1)c2ccccc2,non-mutagenic
19331-27-2,[O-][N+](=O)c1ccc2c(Cl)nsc2c1,mutagenic
4298-16-2,CN[C@@H](C)Cc1ccccc1,non-mutagenic
99-99-0,Cc1ccc(cc1)[N+](=O)[O-],non-mutagenic
173450-39-0,CCOCCOC(=O)c1cc(Cc2ccc(N)c(c2)C(=O)OCCOCC)ccc1N,non-mutagenic
25917-90-2,COc1cc(N)c(cc1N)[N+](=O)[O-],mutagenic
2580-78-1,Nc1c2C(=O)c3ccccc3C(=O)c2c(Nc4cccc(c4)S(=O)(=O)CCOS(=O)(=O)O)cc1S(=O)(=O)O,mutagenic
78-97-7,CC(O)C#N,non-mutagenic
98931-07-8,CC1CC2C(Cc3cn(CC=C)c4cccc2c34)N(C1)C#N,mutagenic
56183-12-1,OC1C(O)c2cccc3ccc4cccc1c4c23,non-mutagenic
3688-53-7,NC(=O)\C(=C/c1oc(cc1)[N+](=O)[O-])\c2occc2,mutagenic
127923-98-2,OC(C(O)C(=O)OCCBr)C(=O)OCCBr,mutagenic
50-70-4,OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO,non-mutagenic
119143-43-0,C1Cc2ccc3ncccc3c2C4OC14,mutagenic
61203-01-8,CC(=O)C(=C)Br,mutagenic
538-74-9,C(SCc1ccccc1)c2ccccc2,non-mutagenic
163275-62-5,Fc1cnc2c(c1)cc(F)c3ccccc23,non-mutagenic
34424-65-2,CC(O)\C=C\C=O,mutagenic
150446-02-9,Cc1c(\C=N\OCc2ccc(Cl)cc2)c3cc(ccc3n1Cc4ccccc4)[N+](=O)[O-],non-mutagenic
63019-40-9,Oc1cccc2ccc3c4ccccc4ccc3c12,mutagenic
50-18-0,ClCCN(CCCl)[P@]1(=O)NCCCO1,mutagenic
108670-79-7,CC\C=C\C=C\C=C\C=C\C=O,non-mutagenic
134-29-2,COc1ccccc1N,mutagenic
NOCAS_M93,C[C@H]1CS(=O)(=O)CCN1\N=C\c2oc(cc2)[N+](=O)[O-],mutagenic
145-49-3,Nc1ccc(O)c2C(=O)c3c(N)ccc(O)c3C(=O)c12,mutagenic
30095-63-7,CCC1(C)CO1,non-mutagenic
922-63-4,CCC(=C)C=O,mutagenic
60877-83-0,Oc1ccc(\C=N\c2snc3c(Cl)cc(Cl)cc23)cc1,mutagenic
87-29-6,Nc1ccccc1C(=O)OC\C=C\c2ccccc2,non-mutagenic
91-63-4,Cc1ccc2ccccc2n1,mutagenic
124-48-1,ClC(Br)Br,non-mutagenic
91137-28-9,Cc1ccc2ccc(cc2c1)[N+](=O)[O-],mutagenic
80909-78-0,CC1(CO1)c2ccc(Br)cc2,non-mutagenic
548-04-9,Cc1cc(O)c2C(=O)c3c(O)cc(O)c4c5c(O)cc(O)c6C(=O)c7c(O)cc(C)c8c1c2c(c34)c(c78)c56,non-mutagenic
108-18-9,CC(C)NC(C)C,non-mutagenic
2016-88-8,NC(=N)NC(=O)c1nc(Cl)c(N)nc1N,mutagenic
4403-61-6,C\C=C(\C)/C#N,non-mutagenic
27776-01-8,Cc1ccc(Cc2ccccc2)cc1,non-mutagenic
98736-47-1,CN(Cc1cccc(Br)c1)N=O,mutagenic
116505-02-3,CC(=O)ON(C(=O)C)c1ccc(Sc2ccccc2)cc1,mutagenic
NOCAS_M464,CCC[C@@H](O)[C@@H](CC)CO,non-mutagenic
13114-72-2,CNC(=O)N(c1ccccc1)c2ccccc2,non-mutagenic
NOCAS_M139,C1C[C@@H]2O[C@@H]2C[C@@H]1[C@H]3CO3,mutagenic
108-90-7,Clc1ccccc1,non-mutagenic
97-32-5,COc1ccc(cc1[N+](=O)[O-])C(=O)Nc2ccccc2,mutagenic
81-20-9,Cc1cccc(C)c1[N+](=O)[O-],non-mutagenic
133831-60-4,[O-][N+](=O)c1ccccc1SSC(=C(Cl)Cl)Cl,mutagenic
6369-59-1,Cc1cc(NOS(=O)(=O)O)ccc1N,mutagenic
69-74-9,NC1=NC(=O)N(C=C1)C2OC(CO)C(O)C2O,non-mutagenic
4873-56-7,CC(C)COS(=O)(=O)c1ccc(C)cc1,non-mutagenic
112022-07-8,CN(C)CCNC(=O)c1cccc2C(=O)c3ccccc3Sc12,mutagenic
55256-53-6,CC(C)(O)CCc1ccc(O)c2C(=O)c3c(O)c4c(OC5OC=CC45O)cc3Oc12,mutagenic
91-13-4,BrCc1ccccc1CBr,non-mutagenic
119-36-8,COC(=O)c1ccccc1O,mutagenic
110-52-1,BrCCCCBr,mutagenic
4238-71-5,C(c1ccccc1)n2ccnc2,mutagenic
1464-53-5,CCC12OC1O2,mutagenic
67-03-8,Cc1ncc(C[n+]2csc(CCO)c2C)c(N)n1,non-mutagenic
50-89-5,CC1=CN(C2CC(O)C(CO)O2)C(=O)NC1=O,non-mutagenic
105802-11-7,Cc1c(c2ccccc2c3ccc4ccccc4c13)[N+](=O)[O-],mutagenic
494-90-6,CC1CCc2c(C)coc2C1,non-mutagenic
32828-84-5,CN(C)C1Cc2cccc3cccc(C1)c23,mutagenic
131841-09-3,COCCOCCOP1(NP(NP(N1)(OCCOCCOC)OCCOCCOC)(OCCOCCOC)OCCOCCOC)OCCOCCOC,non-mutagenic
99766-47-9,CCc1cccc(CC)c1N=O,mutagenic
118-55-8,Oc1ccccc1C(=O)Oc2ccccc2,non-mutagenic
118354-50-0,COc1ccc2C3OC3C4CCCCC4c2c1,non-mutagenic
NOCAS_M156,CC[C@@H](O)\C=C\C=C\C=C\C=C\C=O,mutagenic
581-28-2,Nc1ccc2nc3ccccc3cc2c1,mutagenic
10184-51-7,Cn1cnc2C(=N)[N+](=O)[CH-]Nc12,mutagenic
394-68-3,Fc1cccc2cccnc12,mutagenic
142044-41-5,OC1CC=Cc2cccnc12,non-mutagenic
115664-50-1,Oc1ccc2c3ccccc3c4c(ccc5ccc1c2c45)[N+](=O)[O-],mutagenic
119584-53-1,O=C(CN1C(=O)Sc2ccccc12)OCc3ccccc3,non-mutagenic
1795-83-1,CC(=O)N(O)c1ccccc1,non-mutagenic
20020-02-4,Clc1c(Cl)c(Cl)c2ccccc2c1Cl,non-mutagenic
1805-02-3,COc1ccc2c(c1)nc(N)n2C,mutagenic
110207-65-3,CCOC(=O)c1c2c(nn[n+]1[O-])c3ccccc3n2C,mutagenic
64188-64-3,C(N1C2C1c3ccccc3c4ccccc24)c5ccccc5,mutagenic
6051-98-5,O=C1c2ccccc2c3c1ccc4ccccc34,mutagenic
1120-21-4,CCCCCCCCCCC,non-mutagenic
611-53-0,NC1=NC(=O)N(C=C1I)C2CC(O)C(CO)O2,non-mutagenic
56719-24-5,COC(=O)\C(=C(/OP(=O)(OC)OC)\c1cc(Cl)ccc1Cl)\Cl,non-mutagenic
73-03-0,Nc1ncnc2c1ncn2C3OC(CO)CC3O,mutagenic
93943-58-9,CC(CC1=C(COC1O)C=O)C2=CCC(C)(C)C2,non-mutagenic
NOCAS_M264,OC[C@H](Cl)CCl,mutagenic
1609-47-8,CCOC(=O)OC(=O)OCC,non-mutagenic
4816-14-2,NC(=N)c1ccc(cc1)c2cc3ccc(cc3s2)C(=N)N,non-mutagenic
6926-47-2,N#N=NC(c1ccccc1)c2ccccc2,mutagenic
108-50-9,Cc1cncc(C)n1,mutagenic
106532-70-1,CCCCCCCCCC(=O)\N=C\1/SN(C(=O)CCCCCCCCC)c2ccc(cc12)[N+](=O)[O-],mutagenic
NOCAS_M294,FC[C@H]1CO1,mutagenic
17372-87-1,OC(=O)c1ccccc1C2=C3C=C(Br)C(=O)C(=C3Oc4c(Br)c(O)c(Br)cc24)Br,mutagenic
108319-06-8,CC1CN(CCN1)c2cc3N(C=C(C(=O)O)C(=O)c3cc2F)c4ccc(F)cc4F,mutagenic
163275-66-9,Fc1cccc2c1ccc3ncccc23,mutagenic
51-52-5,CCCc1cc(O)nc(S)n1,non-mutagenic
134998-79-1,[O-][N+](=O)c1cc2cccc3c4CCCCc4c5cccc1c5c23,mutagenic
2416-94-6,Cc1ccc(C)c(O)c1C,non-mutagenic
125701-97-5,COc1ccc(cc1)c2nc([nH]c2c3ccc(OC)cc3)c4ccc(C)cc4C,mutagenic
125974-01-8,ClCC1=C(Cl)C(=O)OC1,mutagenic
2277-92-1,Oc1c(Cl)cc(Cl)cc1NC(=O)c2c(O)c(Cl)cc(Cl)c2Cl,non-mutagenic
98-92-0,NC(=O)c1cccnc1,non-mutagenic
151109-62-5,O[C@H]1C=Cc2c(ccc3c4CCC(=O)c4cc(c23)C(F)(F)F)[C@@H]1O,mutagenic
140-03-4,CCCCCCC(C\C=C\CCCCCCCC(=O)OC)OC(=O)C,non-mutagenic
563-12-2,CCOP(=S)(OCC)SCSP(=S)(OCC)OCC,non-mutagenic
111-83-1,CCCCCCCCBr,non-mutagenic
57074-49-4,CCO[C@@H]1C[C@@H]2[C@@H](C)C[C@H]3OC(=O)C(=C)[C@H]3C[C@@]2(C)[C@H](OCC)O1,mutagenic
3031-74-1,CCOO,mutagenic
575-43-9,Cc1ccc2c(C)cccc2c1,non-mutagenic
1152-48-3,[O-][N+](=O)c1ccc(cc1)C(=O)\C=C\c2ccccc2,mutagenic
96-64-0,CC(OP(=O)(C)F)C(C)(C)C,non-mutagenic
NOCAS_M345,C[C@@H](CN1c2ccccc2Sc3ccccc13)N(C)C,non-mutagenic
16306-16-4,Oc1ccc2c3ccccc3C(=O)c4cccc1c24,mutagenic
60991-01-7,[O-][N+](=O)c1cccc(\C=N\c2snc3ccccc23)c1,mutagenic
139259-92-0,CC(=O)ON(OCc1ccc(Oc2ccccc2)cc1)C(=O)c3ccccc3,mutagenic
76-15-3,FC(F)(F)C(F)(F)Cl,non-mutagenic
97389-17-8,Cc1cnc2c(cc(C)c3c2nc(N)n3C)n1,mutagenic
86854-01-5,O=C1c2c(ccc3ccccc23)c4ccc5ccccc5c14,non-mutagenic
92279-99-7,COc1cccc2c(NCCCNCCCl)c3ccccc3nc12,mutagenic
480-81-9,C\C=C/1\CC(=C)[C@@](C)(O)C(=O)OCC2=CCN3CC[C@H](OC1=O)[C@@H]23,mutagenic
6638-64-8,[O-][N+](=O)c1ccc2c(OC(=O)c3ccccc23)c1,mutagenic
298-81-7,COc1c2OC(=O)C=Cc2cc3ccoc13,mutagenic
70-18-8,NC(CCC(=O)NC(CS)C(=O)NCC(=O)O)C(=O)O,mutagenic
933-75-5,Oc1c(Cl)ccc(Cl)c1Cl,non-mutagenic
63785-41-1,OS(=O)(=O)Oc1ccc2cc3ccc4cccc5ccc(c2c1)c3c45,non-mutagenic
NOCAS_M282,C(Oc1cccc(OC[C@H]2CO2)c1)[C@H]3CO3,mutagenic
133-49-3,Sc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl,non-mutagenic
NOCAS_M19,O1[C@H]2C=Cc3cccnc3[C@@H]12,mutagenic
530-75-6,CC(=O)Oc1ccccc1C(=O)Oc2ccccc2C(=O)O,non-mutagenic
78-38-6,CCOP(=O)(CC)OCC,non-mutagenic
140-66-9,CC(C)(C)CC(C)(C)c1ccc(O)cc1,non-mutagenic
13104-21-7,COP(=O)(OC)O\C(=C/Br)\c1ccc(Cl)cc1Cl,non-mutagenic
137-17-7,Cc1cc(C)c(N)cc1C,mutagenic
81-49-2,Nc1c(Br)cc(Br)c2C(=O)c3ccccc3C(=O)c12,mutagenic
NOCAS_M500,CCCCCCCC[C@H]1CO1,non-mutagenic
126-33-0,O=S1(=O)CCCC1,non-mutagenic
119613-62-6,CCc1cc2ccccc2c3ccc4C(O)C(O)C5OC5c4c13,mutagenic
94574-56-8,CC(=O)OCc1c(O)cc2C(=O)c3ccccc3C(=O)c2c1O,mutagenic
69657-89-2,CCc1ccccc1Nc2ccc(Nc3ccccc3CC)c4C(=O)c5c(O)ccc(O)c5C(=O)c24,mutagenic
28352-32-1,C1CCC2C(C1)C3OC3c4ccccc24,non-mutagenic
522-19-0,COc1cc(OC)c2nc3occc3c(OC)c2c1,mutagenic
18028-56-3,Cc1ccc2[nH]c3c(C)ccc(C)c3c2c1,mutagenic
6441-91-4,Nc1ccc2cc(cc(O)c2c1N=Nc3ccc(cc3S(=O)(=O)O)[N+](=O)[O-])S(=O)(=O)O,non-mutagenic
3058-37-5,CN=NO,mutagenic
159092-79-2,[O-][N+](=O)c1ccc2c3cccc(c3cc(c2c1)[N+](=O)[O-])[N+](=O)[O-],mutagenic
101-77-9,Nc1ccc(Cc2ccc(N)cc2)cc1,mutagenic
124-09-4,NCCCCCCN,non-mutagenic
3029-19-4,O=Cc1ccc2ccc3cccc4ccc1c2c34,mutagenic
109-57-9,NC(=S)NCC=C,non-mutagenic
55256-57-0,CC(C)(O)CCc1ccc(O)c2C(=O)c3c(O)c4C5C=COC5Oc4cc3Oc12,mutagenic
1030-27-9,CN(C)c1ccc(\C=C\C(=O)c2ccccc2)cc1,non-mutagenic
17526-17-9,CCOCc1c(O)cc2C(=O)c3ccccc3C(=O)c2c1O,mutagenic
NOCAS_M533,CCO[P@](=O)(NC(C)C)Oc1ccc(SC)c(C)c1,non-mutagenic
98601-02-6,Cc1cc2c(O)cccc2c3cc4C(O)C(O)C=Cc4cc13,mutagenic
885-11-0,CN1N(C(=O)C(=C1C)N=O)c2ccccc2,mutagenic
5234-68-4,CC1=C(SCCO1)C(=O)Nc2ccccc2,non-mutagenic
823-40-5,Cc1c(N)cccc1N,mutagenic
120042-13-9,CC(N)(CN=[N+]=[N-])C(=O)O,mutagenic
66552-77-0,Cc1cc2c(C)c3ccccc3c(C)c2cc1C,mutagenic
5557-27-7,COc1cc(OC)c2C(=O)c3c(O)ccc(OC)c3Oc2c1,mutagenic
434-07-1,C[C@]1(O)CC[C@@H]2[C@@H]3CC[C@H]4CC(=C(C[C@]4(C)[C@H]3CC[C@]12C)C=O)O,non-mutagenic
3179-90-6,OCCNc1ccc(NCCO)c2C(=O)c3c(O)ccc(O)c3C(=O)c12,mutagenic
117929-14-3,[O-][N+](=O)c1cc2CCc3cccc4ccc(c1)c2c34,mutagenic
56856-83-8,CN(COC(=O)C)N=O,mutagenic
68162-37-8,COC(=O)\C(=C\c1oc(cc1)[N+](=O)[O-])\[N+](=O)[O-],mutagenic
13810-83-8,OC(=O)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)O,non-mutagenic
134959-55-0,O=C(OCc1ccccc1)c2cccc3cccnc23,non-mutagenic
138580-48-0,CN1CCN(CC1)C2=CC(=O)c3[nH]c(C)c4c5ccccc5nc4c3C2=O,mutagenic
NOCAS_M30,O1[C@@H]2C=CC=C[C@H]12,mutagenic
2922-83-0,NC(CC(=O)c1ccccc1N)C(=O)O,non-mutagenic
57-68-1,Cc1cc(C)nc(NS(=O)(=O)c2ccc(N)cc2)n1,non-mutagenic
212-54-4,C1c2ccccc2c3ccc4ccc5ccccc5c4c13,mutagenic
91-59-8,Nc1ccc2ccccc2c1,mutagenic
613-47-8,ONc1ccc2ccccc2c1,mutagenic
199536-82-8,ClC1=C(COC1=O)C(Br)Br,mutagenic
99-76-3,COC(=O)c1ccc(O)cc1,non-mutagenic
27451-21-4,CC(=O)N(O)c1ccc(C)cc1,non-mutagenic
111-92-2,CCCCNCCCC,non-mutagenic
62641-68-3,CCOC(=O)N(CCO)N=O,mutagenic
173450-36-7,CCCOC(=O)c1cc(Cc2ccc(N)c(c2)C(=O)OCCC)ccc1N,non-mutagenic
135-19-3,Oc1ccc2ccccc2c1,non-mutagenic
87-82-1,Brc1c(Br)c(Br)c(Br)c(Br)c1Br,non-mutagenic
91549-71-2,CN(C)CCNC(=O)c1ccc2c(N)c3ccccc3nc2c1,non-mutagenic
57471-01-9,CC(=O)c1cc(NC(=O)NC(C)(C)C)ccc1OCC(O)CNC(C)(C)C,non-mutagenic
19111-89-8,CN(C)C(N(C)C)(c1ccccc1)c2ccccc2,non-mutagenic
144-82-1,Cc1nnc(NS(=O)(=O)c2ccc(N)cc2)s1,non-mutagenic
580-20-1,Oc1ccc2cccnc2c1,non-mutagenic
NOCAS_M467,CC(C)(Oc1ccc(cc1)[C@H]2CCCc3ccccc23)C(=O)O,non-mutagenic
91379-15-6,CCCC\C=C\C=C\C=C\C=C\C=C\OCC(O)CO,mutagenic
6217-22-7,O=C1C(=O)c2cccc3ccc4cccc1c4c23,non-mutagenic
55984-51-5,CN(CC(=O)C)N=O,mutagenic
26444-49-5,Cc1cccc(OP(=O)(Oc2ccccc2)Oc3ccccc3)c1,non-mutagenic
6926-44-9,[N-]=[N+]=NCCc1ccccc1,mutagenic
1211-40-1,Nc1ccc(cc1)c2ccc(cc2)[N+](=O)[O-],mutagenic
112022-10-3,CN(C)CCNC(=O)c1cccc2Oc3ccccc3Oc12,mutagenic
144-83-2,Nc1ccc(cc1)S(=O)(=O)Nc2ccccn2,non-mutagenic
2122-77-2,OCCOc1cc(Cl)c(Cl)cc1Cl,non-mutagenic
75-21-8,C1CO1,mutagenic
84174-22-1,CN(Cc1ccc(Cl)cc1)N=O,mutagenic
152-18-1,COP(=S)(OC)OC,non-mutagenic
83-46-5,CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,non-mutagenic
94740-40-6,CC(=O)N1CCC[C@H]1C(=O)N(CC(=O)O)N=O,mutagenic
50656-61-6,CC1C=C(C=O)C(=CC2CC(C)(C)CC12)C=O,non-mutagenic
124390-37-0,Cc1cc2ccccc2c3cc(c4ccccc4c13)[N+](=O)[O-],mutagenic
126370-98-7,COc1cccc(CN2C3C2c4ccccc4c5ccccc35)c1,mutagenic
128-39-2,CC(C)(C)c1cccc(c1O)C(C)(C)C,non-mutagenic
14628-90-1,COC1=CC=C(C=CC1=O)[N+](=O)[O-],mutagenic
23355-97-7,C[C@@H]1O[C@H]1c2ccccc2,non-mutagenic
1214-39-7,C(Nc1[nH]cnc2ncnc12)c3ccccc3,non-mutagenic
38861-78-8,CC(C)Cc1ccc(cc1)C(=O)C,non-mutagenic
61477-96-1,CCN1CCN(C(=O)NC(C(=O)NC2C3SC(C)(C)C(N3C2=O)C(=O)O)c4ccccc4)C(=O)C1=O,non-mutagenic
98911-08-1,CC(=O)N(O)c1ccc(Oc2ccc(Cl)cc2Cl)cc1,mutagenic
525-64-4,Nc1ccc2c(Cc3cc(N)ccc23)c1,mutagenic
53693-68-8,CCN(CC)c1ccc(cc1)c2ccc(cc2)c3ccc(cc3)c4ccc(cc4)N(CC)CC,non-mutagenic
80115-73-7,CCC(=O)N(O)c1ccc(cc1)c2ccccc2,mutagenic
79560-36-4,COCc1c(O)cc2C(=O)c3ccccc3C(=O)c2c1O,mutagenic
36193-75-6,Nc1cnc2ccc3ccccc3c2c1,mutagenic
55-55-0,CNc1ccc(O)cc1,mutagenic
142-83-6,C\C=C/C=C\C=O,mutagenic
524-42-5,O=C1C=Cc2ccccc2C1=O,mutagenic
132832-26-9,OC1C2OC2c3cc4c5ccccc5c6ccccc6c4cc3C1O,mutagenic
NOCAS_M535,CCCCCCCCCCCCCCCCCC(=O)NCCCC[C@H](NC(=O)CC[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](C)O[C@H]1[C@H](O)[C@@H](CO)O[C@@H](O)[C@H]1NC(=O)C)C(=O)N)C(=O)O,non-mutagenic
2314-61-6,S=C1SC=C(S1)c2ccccc2,non-mutagenic
71-43-2,c1ccccc1,non-mutagenic
4938-72-1,CC(C)COC(=O)COc1cc(Cl)c(Cl)cc1Cl,non-mutagenic
933-78-8,Oc1cc(Cl)cc(Cl)c1Cl,non-mutagenic
105553-32-0,CN(N=O)N(C(=O)\C(=N/O)\C(=O)C)c1ccccc1,mutagenic
55-38-9,COP(=S)(OC)Oc1ccc(SC)c(C)c1,non-mutagenic
7493-63-2,Nc1ccccc1C(=O)OCC=C,non-mutagenic
520-26-3,COc1ccc(cc1O)C2CC(=O)c3c(O)cc(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O)C(O)C4O)cc3O2,non-mutagenic
NOCAS_M392,C=C[C@H]1CCC=CC1,non-mutagenic
16804-85-6,C1CCC2C(C1)C=Cc3ccccc23,mutagenic
1088-56-8,CN1C2=NC(=O)NC(=O)C2=Nc3cc(C)c(C)cc13,mutagenic
NOCAS_M472,NC(=O)CN1C[C@H](O)CC1=O,non-mutagenic
110-94-1,OC(=O)CCCC(=O)O,non-mutagenic
97-53-0,COc1cc(CC=C)ccc1O,non-mutagenic
95791-46-1,Clc1cc2c3ccccc3ccc2c4ccccc14,mutagenic
96-17-3,CCC(C)C=O,non-mutagenic
13071-79-9,CCOP(=S)(OCC)SCSC(C)(C)C,non-mutagenic
1300-72-7,Cc1ccc(cc1C)S(=O)(=O)O,non-mutagenic
102059-18-7,CC(=O)Nc1ccc(\C=C\C(=O)c2ccccc2)cc1,mutagenic
3524-68-3,OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C,non-mutagenic
120-80-9,Oc1ccccc1O,non-mutagenic
107817-59-4,NC(CSC\C=C\Cl)C(=O)O,non-mutagenic
NOCAS_M111,CC(=O)O[C@@H]1Cc2c3ccc4ccccc4c3cc5ccc(C)c1c25,mutagenic
32795-84-9,Brc1c2ccccc2cc3c1ccc4ccccc34,mutagenic
879-39-0,[O-][N+](=O)c1cc(Cl)c(Cl)c(Cl)c1Cl,non-mutagenic
5296-38-8,C(Oc1ccc(Cc2ccccc2)cc1)C3CO3,mutagenic
55556-92-8,O=NN1CCC=CC1,mutagenic
275795-16-9,CC(C)(C)c1cc(ccc1N=O)c2ccccc2,mutagenic
26471-62-5,Cc1cc(cc(c1)C#N=O)C#N=O,mutagenic
60967-89-7,O[C@@H]1C=Cc2c(ccc3cc4ccccc4cc23)[C@H]1O,mutagenic
19996-03-3,ClCc1c2ccccc2c(Cl)c3ccccc13,mutagenic
42713-66-6,N[C@H](CCCN(N=O)C(=O)N)C(=O)O,mutagenic
96018-75-6,ON(C=O)c1cccc(Cl)c1,non-mutagenic
17455-23-1,C1CCC2OCCOCCOCCOC3CCCCC3OCCOCCOCCOC2C1,non-mutagenic
3290-92-4,CCC(COC(=O)C(=C)C)(COC(=O)C(=C)C)COC(=O)C(=C)C,mutagenic
78658-61-4,CCCCN(CC(O)c1ccc(O)cc1)N=O,non-mutagenic
53499-68-6,CNc1ccc(cc1)N=Nc2ccc(cc2)N(C)C(=O)C,mutagenic
6755-16-4,CCNC(=O)\C=C\c1oc(cc1)[N+](=O)[O-],mutagenic
84-69-5,CC(C)COC(=O)c1ccccc1C(=O)OCC(C)C,non-mutagenic
129117-54-0,COc1ccc2[nH]c3c(C)cc(N)c(C)c3c2c1,mutagenic
55-80-1,CN(C)c1ccc(cc1)N=Nc2cccc(C)c2,mutagenic
24085-06-1,CC(=O)OCc1cc(ccc1OC(=O)C)C(=O)C,mutagenic
57470-78-7,CCN(CC)C(=O)Nc1ccc(OCC(O)CNC(C)(C)C)c(c1)C(=O)C,non-mutagenic
1684-40-8,Nc1c2CCCCc2nc3ccccc13,mutagenic
535-83-1,C[n+]1cccc(c1)C(=O)O,non-mutagenic
86-00-0,[O-][N+](=O)c1ccccc1c2ccccc2,non-mutagenic
NOCAS_M334,CC(=O)O[C@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C)C#C,non-mutagenic
88847-89-6,Nc1nc(O)c2nc(O)n(C3CC(O)C(CO)O3)c2n1,non-mutagenic
35509-27-4,N#Cc1cccc2cccnc12,mutagenic
25870-67-1,[O-][N+](=O)c1ccc(\C=C\C(=O)c2ccc(cc2)[N+](=O)[O-])cc1,mutagenic
1768-31-6,ClC(Cl)C(=O)C(Cl)(Cl)Cl,mutagenic
108278-71-3,NC(=O)N(CCC(=O)O)N=O,mutagenic
105-13-5,COc1ccc(CO)cc1,non-mutagenic
39147-43-8,Oc1ccc2cc3c4ccccc4c5ccccc5c3cc2c1,mutagenic
2403-27-2,Brc1ccc(cc1)C(=O)\C=C\c2ccccc2,non-mutagenic
1849-36-1,[O-][N+](=O)c1ccc(S)cc1,mutagenic
108618-29-7,Nc1ccc(\C=C\c2ccc(cc2)C#N)cc1,mutagenic
99-59-2,COc1ccc(cc1N)[N+](=O)[O-],mutagenic
77-95-2,O[C@@H]1C[C@@](O)(C[C@H](O)[C@H]1O)C(=O)O,non-mutagenic
10443-65-9,OC(=O)C(=C)Br,non-mutagenic
24191-98-8,CN1CC(O)c2cc3OCOc3c4c5ccccc5CC1c24,mutagenic
59405-51-5,Cc1cc(N=Nc2cccnc2)c(N)cc1N,mutagenic
2528-36-1,CCCCOP(=O)(OCCCC)Oc1ccccc1,non-mutagenic
123-51-3,CC(C)CCO,non-mutagenic
60-09-3,Nc1ccc(cc1)N=Nc2ccccc2,mutagenic
69658-13-5,OC(=O)CSc1ccc2c3ccccc3C(=O)c4cccc1c24,mutagenic
1904-98-9,Nc1nc(N)c2[nH]cnc2n1,non-mutagenic
612-24-8,[O-][N+](=O)c1ccccc1C#N,non-mutagenic
64896-26-0,OC(=O)c1ccc(cc1)N=Nc2ccc(O)c(c2)C(=O)O,non-mutagenic
612-41-9,OC(=O)\C=C\c1ccccc1[N+](=O)[O-],non-mutagenic
130-13-2,Nc1ccc(c2ccccc12)S(=O)(=O)O,non-mutagenic
83-75-0,CCOC(=O)OC(C1CC2CCN1CC2C=C)c3ccnc4ccc(OC)cc34,non-mutagenic
32306-29-9,CCOP(=O)(OCC)Oc1cc(on1)c2ccccc2,non-mutagenic
131229-61-3,CCCCON(OC(=O)C)C(=O)c1ccc(C)cc1,mutagenic
53175-28-3,C\C=C(/Cl)\C=O,mutagenic
112368-25-9,OC(=O)CCC(=O)Nc1ccc(Cl)c(Cl)c1Cl,non-mutagenic
51568-18-4,CC(=O)CC(=O)CCC(=O)O,non-mutagenic
122551-89-7,ClC(Cl)C1=C(Cl)C(=O)OC1,mutagenic
2082-81-7,CC(=C)C(=O)OCCCCOC(=O)C(=C)C,non-mutagenic
5598-15-2,CCOP(=O)(OCC)Oc1nc(Cl)c(Cl)cc1Cl,non-mutagenic
633-03-4,CCN(CC)c1ccc(cc1)C(=C2C=CC(=[N+](CC)CC)C=C2)c3ccccc3,mutagenic
111-40-0,NCCNCCN,non-mutagenic
155164-59-3,COc1ccc(cc1)S(=O)(=O)N2N=CC(=C(Cl)C2=O)Cl,non-mutagenic
569-61-9,Nc1ccc(cc1)C(=C2C=CC(=N)C=C2)c3ccc(N)cc3,mutagenic
95-14-7,c1ccc2[nH]nnc2c1,mutagenic
3160-37-0,CC(=O)\C=C/c1ccc2OCOc2c1,non-mutagenic
145439-00-5,CN(N=O)C(=O)c1c(ncn1C)N(C)C(=O)OC(C)(C)C,mutagenic
2498-76-2,Cc1ccc2ccc3cc4ccccc4cc3c2c1,mutagenic
399-10-0,Fc1ccc(cc1)C(=O)\C=C\c2ccccc2,non-mutagenic
3342-98-1,Cc1ccc2cc3c(ccc4ccccc34)c5[C@@H](O)Cc1c25,mutagenic
NOCAS_M271,CC[C@]1(O)C[C@@H](O)c2c(O)c3C(=O)c4c(O)cccc4C(=O)c3cc2[C@@H]1C(=O)OC,mutagenic
14992-81-5,Clc1c(Cl)c(Cl)c(C=C)c(Cl)c1Cl,non-mutagenic
60-12-8,OCCc1ccccc1,non-mutagenic
123-38-6,CCC=O,non-mutagenic
2386-87-0,O=C(OCC1CCC2OC2C1)C3CCC4OC4C3,mutagenic
105453-64-3,OC1C=Cc2c(ccc3cc4c(ccc5ccccc45)cc23)C1O,mutagenic
999-81-5,C[N+](C)(C)CCCl,non-mutagenic
85-91-6,CNc1ccccc1C(=O)OC,non-mutagenic
621-52-3,CCOc1cccc(c1)[N+](=O)[O-],non-mutagenic
79660-72-3,CN1CCN(CC1)c2c(F)cc3C(=O)C(=CN(CCF)c3c2F)C(=O)O,mutagenic
25703-79-1,CC(O)COC(=O)C(=C)C,non-mutagenic
73341-53-4,Cc1cccn2c1nc3ccc(NO)nc23,mutagenic
4460-86-0,COc1cc(OC)c(C=O)cc1OC,non-mutagenic
148193-36-6,COc1nsc2c(OCC3CO3)cccc12,mutagenic
58-93-5,NS(=O)(=O)c1cc2c(NCNS2(=O)=O)cc1Cl,non-mutagenic
105453-63-2,OC1C=Cc2ccc3cc4c(ccc5ccccc45)cc3c2C1O,mutagenic
616-44-4,Cc1ccsc1,non-mutagenic
1467-79-4,CN(C)C#N,non-mutagenic
61422-45-5,CCCCCCNC(=O)N1C=C(F)C(=O)NC1=O,non-mutagenic
35142-06-4,COC(=O)c1cc2OCOc2c3c1ccc4c(OC)cccc34,mutagenic
24260-08-0,CCOC1=CC(=O)C(=CC1=O)NC(=O)C,mutagenic
75-95-6,BrC(Br)C(Br)(Br)Br,non-mutagenic
1007-36-9,CNC(=O)Nc1ccccc1,non-mutagenic
3102-70-3,Cc1cc(C)c(N)c(C)c1N,mutagenic
2163-68-0,CCNc1nc(O)nc(NC(C)C)n1,non-mutagenic
127-00-4,C[C@@H](O)CCl,mutagenic
5869-25-0,Nc1ccc2c3cccc4cccc(c2c1)c34,mutagenic
625-48-9,OCC[N+](=O)[O-],mutagenic
131-57-7,COc1ccc(C(=O)c2ccccc2)c(O)c1,non-mutagenic
88-99-3,OC(=O)c1ccccc1C(=O)O,non-mutagenic
116374-66-4,CN(C)CCCNc1c2ccccc2nc3c(F)ccc(c13)[N+](=O)[O-],mutagenic
132929-89-6,[O-][N+](=O)c1ccc2ccc3cc4C=CCCc4c5ccc1c2c35,mutagenic
153260-28-7,CC1(C)Cc2ncccc2c3nc(N)sc13,mutagenic
NOCAS_M377,CCCC[C@@H](CC)COC(=O)C=C,non-mutagenic
60877-90-9,Oc1ccccc1\C=N\c2snc3ccccc23,non-mutagenic
53-95-2,CC(=O)N(O)c1ccc2c(Cc3ccccc23)c1,mutagenic
101-18-8,Oc1cccc(Nc2ccccc2)c1,non-mutagenic
95-06-7,CCN(CC)C(=S)SCC(=C)Cl,mutagenic
115-39-9,Oc1c(Br)cc(cc1Br)C2(OS(=O)(=O)c3ccccc23)c4cc(Br)c(O)c(Br)c4,non-mutagenic
38434-77-4,CCN(N=O)C#N,mutagenic
762-75-4,CC(C)(C)OCO,non-mutagenic
111712-46-0,CC(Br)(CBr)COP(=O)(OCC(C)(Br)CBr)OCC(C)(Br)CBr,non-mutagenic
50-07-7,CO[C@]12[C@H]3N[C@H]3CN1C4=C([C@@H]2COC(=O)N)C(=O)C(=C(C)C4=O)N,mutagenic
124-07-2,CCCCCCCC(=O)O,non-mutagenic
98033-21-7,Cn1ccc2c1ccc3ccc4ccc(O)cc4c23,mutagenic
2517-98-8,CC(=O)OCc1c2ccccc2c(C)c3c1ccc4ccccc34,mutagenic
14703-71-0,Nc1cccc(O)c1[N+](=O)[O-],non-mutagenic
218-34-8,c1cnc2c(c1)ccc3c2ccc4cccnc34,mutagenic
8003-03-0,NC1=NC(=O)N(C=C1)[C@@H]2O[C@H](COP(=O)(O)O[C@@H]3[C@@H](CO)O[C@H]([C@@H]3O)n4cnc5c(N)ncnc45)[C@@H](O)[C@H]2O,non-mutagenic
205-99-2,c1ccc2c(c1)c3cccc4c5ccccc5cc2c34,mutagenic
NOCAS_M312,Cc1cccc(OC[C@@H](O)CNC(C)(C)C)c1C,non-mutagenic
113202-60-1,CC(=O)Oc1cc(C=O)cc2N3CC4C(N4C(=O)C)C(OC(=O)C)(O3)C(COC(=O)N)c12,mutagenic
119239-65-5,OC1C2OC2c3ccc4ncccc4c3C1O,non-mutagenic
100-22-1,CN(C)c1ccc(cc1)N(C)C,mutagenic
68268-20-2,CCCN(C(=O)CCCl)c1snc2ccccc12,mutagenic
4213-45-0,COc1ccc2nc3cc(Cl)ccc3c(NC(C)CCCN(CCCl)CCCl)c2c1,mutagenic
121-66-4,Nc1ncc(s1)[N+](=O)[O-],mutagenic
141511-28-6,[O-][N+](=O)c1cc2CCc3cc4CCCCc4c5CCc(c1)c2c35,mutagenic
124-30-1,CCCCCCCCCCCCCCCCCCN,non-mutagenic
96-67-3,Nc1cc(cc(c1O)S(=O)(=O)O)[N+](=O)[O-],non-mutagenic
61695-72-5,C1O[C@@H]1c2c3ccccc3cc4c2ccc5ccccc45,mutagenic
60-82-2,Oc1ccc(CCC(=O)c2c(O)cc(O)cc2O)cc1,non-mutagenic
111-71-7,CCCCCCC=O,non-mutagenic
NOCAS_M6,COc1cc(cc(OC)c1O)[C@H]2[C@H]3[C@H](COC3=O)[C@H](O[C@@H]4O[C@@H]5CO[C@H](O[C@H]5[C@H](O)[C@@H]4O)c6cccs6)c7cc8OCOc8cc27,mutagenic
75-62-7,ClC(Cl)(Cl)Br,mutagenic
NOCAS_M508,CC[C@@H]1NC(=O)c2cc(c(Cl)cc2N1)S(=O)(=O)N,non-mutagenic
61875-33-0,Cc1cccc2nc(O)c(O)nc12,mutagenic
2876-24-6,[O-][N+](=O)c1cccc2nc3ccccc3nc12,mutagenic
102873-32-5,[O-][N+](=O)c1cccc(c1)c2ccc(cc2[N+](=O)[O-])[N+](=O)[O-],mutagenic
98736-50-6,CN(Cc1ccc(Br)cc1)N=O,mutagenic
630125-99-4,CNc1cc(Oc2ccc(N)cc2)ncn1,mutagenic
613-35-4,CC(=O)Nc1ccc(cc1)c2ccc(NC(=O)C)cc2,mutagenic
6312-87-4,CC(=O)Nc1ccc(Oc2ccccc2)cc1,mutagenic
3244-54-0,[O-][N+](=O)c1ccc2[nH]c3ccc(cc3c2c1)[N+](=O)[O-],mutagenic
1447-88-7,COc1c(O)cc2OC(=CC(=O)c2c1O)c3ccc(O)cc3,non-mutagenic
172374-60-6,CC(=O)Nc1ccc(Oc2ccc(cc2)N(OC(=O)C)C(=O)C)cc1,mutagenic
57-10-3,CCCCCCCCCCCCCCCC(=O)O,non-mutagenic
18699-02-0,CC(=O)Nc1ccc(CC(=O)O)cc1,non-mutagenic
90-05-1,COc1ccccc1O,non-mutagenic
160543-23-7,Cc1ccc2c(C)c3C(O)C(O)c4ccccc4c3nc2c1,non-mutagenic
113698-18-3,COC1=CC(=O)c2c(nc(C)c3c4CCCCc4[nH]c23)C1=O,mutagenic
106-02-5,O=C1CCCCCCCCCCCCCCO1,non-mutagenic
14901-08-7,C[N+](=NC[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)[O-],non-mutagenic
107-05-1,ClCC=C,mutagenic
94840-66-1,NC(CSC(F)(F)C(F)F)C(=O)O,non-mutagenic
106686-63-9,COc1cccc(\C=C\C)c1OC,mutagenic
100-25-4,[O-][N+](=O)c1ccc(cc1)[N+](=O)[O-],mutagenic
476-46-0,Cc1cc(O)c2C(=O)c3c(O)cc(O)cc3C(=O)c2c1O,mutagenic
55-21-0,NC(=O)c1ccccc1,non-mutagenic
102-82-9,CCCCN(CCCC)CCCC,non-mutagenic
63019-39-6,Oc1ccc2ccc3c4ccccc4ccc3c2c1,mutagenic
207-09-0,c1ccc2nc3c(cc2c1)c4cccc5cccc3c45,non-mutagenic
103942-97-8,CN(C)CCNC(=O)c1cccc2nc3ccccc3nc12,mutagenic
8001-35-2,ClC[C@]1(C(Cl)Cl)[C@@H]2CC(Cl)(Cl)[C@@]1(CCl)[C@H](Cl)[C@@H]2Cl,mutagenic
51276-85-8,Nc1nc2cc(O)ccc2[nH]1,mutagenic
645-62-5,CCC\C=C(\CC)/C=O,non-mutagenic
141-86-6,Nc1cccc(N)n1,mutagenic
992-59-6,Cc1cc(ccc1N=Nc2cc(c3ccccc3c2N)S(=O)(=O)O)c4ccc(N=Nc5cc(c6ccccc6c5N)S(=O)(=O)O)c(C)c4,non-mutagenic
1820-59-3,[O-][N+](=O)c1ccc(c2ccc(cc2[N+](=O)[O-])[N+](=O)[O-])c(c1)[N+](=O)[O-],mutagenic
24085-08-3,CC(C)(C)N(CC(=O)c1ccc(O)c(CO)c1)Cc2ccccc2,mutagenic
1679-41-0,C\C(=C/C=O)\Cl,mutagenic
36133-88-7,CC(=O)NCc1onc(n1)c2oc(cc2)[N+](=O)[O-],mutagenic
150445-96-8,[O-][N+](=O)c1ccc2c(c1)nc(\C=N\OCc3ccccc3[N+](=O)[O-])n2Cc4ccccc4,mutagenic
97919-22-7,Nc1ccc(cc1)S(=O)(=O)Nc2cnc3c(Cl)cccc3n2,non-mutagenic
2942-42-9,[O-][N+](=O)c1cccc2c[nH]nc12,mutagenic
36167-69-8,COc1ccc2nc3cc(Cl)ccc3c(NCCCNCCCl)c2n1,mutagenic
122365-35-9,Nc1c2ncn(C(c3ccccc3)c4ccccc4)c2nc[n+]1[O-],mutagenic
110-58-7,CCCCCN,non-mutagenic
17369-59-4,CC\C=C\1/OC(=O)c2ccccc12,mutagenic
107027-31-6,CN(C)CCNC(=O)c1cccc2ncc(nc12)c3ccccc3,mutagenic
51264-14-3,COc1cc(NS(=O)(=O)C)ccc1Nc2c3ccccc3nc4ccccc24,mutagenic
68931-03-3,CCCCCCCOc1ccccc1NC(=O)OC(C)CN(CC)CC,non-mutagenic
932-97-8,O=C1C=CC(=N#N)C=C1,mutagenic
3113-71-1,Cc1cc(ccc1[N+](=O)[O-])C(=O)O,mutagenic
NOCAS_M150,C=CCOC[C@H]1CO1,mutagenic
NOCAS_M40,CC[C@@H](C)OC(=O)\C=C\c1oc(cc1)[N+](=O)[O-],mutagenic
76024-59-4,OC1C(O)c2ccc3ccc4ccccc4c3c2C5OC15,mutagenic
2516-93-0,CCCCOCC(=O)O,non-mutagenic
56602-33-6,CN(C)[P+](On1nnc2ccccc12)(N(C)C)N(C)C,non-mutagenic
118326-95-7,COc1ccc2C=CC3CCCCC3c2c1,mutagenic
95-47-6,Cc1ccccc1C,non-mutagenic
50264-69-2,OC(=O)c1nn(Cc2ccc(Cl)cc2Cl)c3ccccc13,non-mutagenic
118-82-1,CC(C)(C)c1cc(Cc2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)cc(c1O)C(C)(C)C,non-mutagenic
814-78-8,CC(=C)C(=O)C,non-mutagenic
NOCAS_M269,CCOc1ccc(NC(=O)C[C@@H](C)O)cc1,mutagenic
64894-89-9,OC(=O)c1ccc(Nc2c3ccccc3nc4cc(ccc24)N=N#N)cc1,mutagenic
5634-39-9,OC[C@@H]1CO[C@@H](CCI)O1,mutagenic
146795-34-8,[O-][N+](=O)c1cc(cs1)C(=O)Nc2ccccc2,mutagenic
659-70-1,CC(C)CCOC(=O)CC(C)C,non-mutagenic
1822-51-1,ClCc1ccncc1,non-mutagenic
477-83-8,COc1c(CO)c(O)cc2C(=O)c3ccccc3C(=O)c12,mutagenic
4606-98-8,Cc1ccc(COS(=O)(=O)c2ccc(C)cc2)cc1,non-mutagenic
93-76-5,OC(=O)COc1cc(Cl)c(Cl)cc1Cl,non-mutagenic
76-06-2,[O-][N+](=O)C(Cl)(Cl)Cl,mutagenic
118354-49-7,Brc1ccc2C3CCCCC3C4OC4c2c1,non-mutagenic
81760-45-4,CCCCCCCCCCCCCCCC(=O)OCC1(O)CC23CCC4c5ccoc5C=CC4(C)C2CCC1C3,non-mutagenic
698-63-5,[O-][N+](=O)c1oc(C=O)cc1,mutagenic
619-25-0,OCc1cccc(c1)[N+](=O)[O-],non-mutagenic
95-65-8,Cc1ccc(O)cc1C,non-mutagenic
143347-57-3,CC12CCC=C(C=O)C1(C2)C=O,mutagenic
123-09-1,CSc1ccc(Cl)cc1,non-mutagenic
10517-47-2,CC(=O)c1ccc(NO)cc1,mutagenic
149-91-7,OC(=O)c1cc(O)c(O)c(O)c1,non-mutagenic
91540-30-6,C=CCN1C2C1c3ccccc3c4ccccc24,mutagenic
16110-14-8,Cc1c2ccc3ccccc3c2cc4ccc(O)c(O)c14,mutagenic
134998-71-3,CCC(CCC(C)O)COC(=O)CCCCC(=O)O,non-mutagenic
99-56-9,Nc1ccc(cc1N)[N+](=O)[O-],mutagenic
98644-23-6,OCc1c2ccccc2c(COS(=O)(=O)O)c3ccc4ccccc4c13,mutagenic
1937-35-5,Nc1ccc2cc(cc(O)c2c1N=Nc3ccc(cc3)c4ccc(cc4)N=Nc5cc(c6ccccc6c5N)S(=O)(=O)O)S(=O)(=O)O,mutagenic
117-10-2,Oc1cccc2C(=O)c3cccc(O)c3C(=O)c12,mutagenic
3159-62-4,OCCCCCCCCCCCCCCCCCC(=O)O,non-mutagenic
125847-46-3,OC1C=Cc2c(ccc3c4ccccc4sc23)C1O,mutagenic
366-29-0,CN(C)c1ccc(cc1)c2ccc(cc2)N(C)C,non-mutagenic
134785-76-5,COC(=O)Nc1nc2cc(ccc2[nH]1)\C(=N\O)\c3ccc(F)cc3,mutagenic
94495-71-3,COc1c(O)c2OC3OC=CC3c2c4OC(=O)C5=C(CCC5=O)c14,mutagenic
113600-15-0,Fc1ccc2cc3c(cc2c1)c4cccc5cccc3c45,mutagenic
78-67-1,CC(C)(N=NC(C)(C)C#N)C#N,non-mutagenic
45021-77-0,C[N+](C)(C)CCCNC(=O)C=C,non-mutagenic
590-46-5,C[N+](C)(C)CC(=O)O,non-mutagenic
111-42-2,OCCNCCO,non-mutagenic
84-60-6,Oc1ccc2C(=O)c3cc(O)ccc3C(=O)c2c1,non-mutagenic
26196-45-2,Nc1cc(c(N)cc1Cl)[N+](=O)[O-],mutagenic
NOCAS_M69,COP(=O)(OC)[C@H](O)C(Cl)(Cl)Cl,mutagenic
67-45-8,[O-][N+](=O)c1oc(\C=N\N2CCOC2=O)cc1,mutagenic
101126-67-4,[O-][N+](=O)c1c(Cl)cc2Oc3cc(Cl)c(Cl)cc3Oc2c1Cl,non-mutagenic
29043-89-8,CCCCOCC=O,non-mutagenic
NOCAS_M574,CCCC[C@@H](CC)COC(=O)\C=C\c1ccc(OC)cc1,non-mutagenic
101910-34-3,CS(=O)CCC(=O)N1C(CSC1c2ccccc2O)C(=O)O,non-mutagenic
94-26-8,CCCCOC(=O)c1ccc(O)cc1,non-mutagenic
87261-28-7,OC1C=Cc2c(ccc3c(c4ccccc4cc23)[N+](=O)[O-])C1O,mutagenic
613-92-3,N\C(=N/O)\c1ccccc1,mutagenic
133-90-4,Nc1cc(Cl)cc(C(=O)O)c1Cl,mutagenic
470-90-6,CCOP(=O)(OCC)O\C(=C/Cl)\c1ccc(Cl)cc1Cl,mutagenic
80324-43-2,Nc1ccc(cc1)N=Nc2cccc(N)c2N,mutagenic
78111-17-8,C[C@@H](C[C@H](O)[C@H]1O[C@@H]2CC[C@@]3(CC[C@@H](O3)\C=C\[C@@H](C)[C@@H]4CC(=C[C@@]5(O[C@H](C[C@@](C)(O)C(=O)O)CC[C@@H]5O)O4)C)O[C@H]2[C@H](O)C1=C)[C@H]6O[C@@]7(CCCCO7)CC[C@H]6C,non-mutagenic
NOCAS_M360,CC(C)(Oc1ccc(cc1)[C@@H]2CC2(Cl)Cl)C(=O)O,non-mutagenic
57609-64-0,Nc1ccc(cc1)C(=O)OCCCOC(=O)c2ccc(N)cc2,non-mutagenic
91134-58-6,CC(C)COC(=O)\C=C\c1oc(cc1)[N+](=O)[O-],mutagenic
99346-49-3,Oc1cnnc(O)n1,mutagenic
1321-74-0,C=Cc1ccccc1C=C,non-mutagenic
518-47-8,Oc1ccc2c(Oc3cc(O)ccc3C24OC(=O)c5ccccc45)c1,non-mutagenic
97-90-5,CC(=C)C(=O)OCCOC(=O)C(=C)C,non-mutagenic
143-07-7,CCCCCCCCCCCC(=O)O,non-mutagenic
1204-41-7,Cc1ccccc1c2ccc(N)cc2,mutagenic
75-96-7,OC(=O)C(Br)(Br)Br,mutagenic
5907-38-0,CN(CS(=O)(=O)O)C1=C(C)N(C)N(C1=O)c2ccccc2,mutagenic
70585-50-1,OC(=O)c1cc(I)cc2cccnc12,non-mutagenic
NOCAS_M184,ClC(Cl)(Cl)[C@@H]1CO1,mutagenic
106686-67-3,O=S(=O)(Cc1ccccc1)N2C3C2c4ccccc4c5ccccc35,mutagenic
97931-40-3,OC1CCCc2c1c(c3ccc4cccc5ccc2c3c45)[N+](=O)[O-],non-mutagenic
58-56-0,Cc1ncc(CO)c(CO)c1O,non-mutagenic
16156-55-1,CC(C)CCOS(=O)(=O)C,mutagenic
17172-88-2,BrC(C(=O)NCc1ccccc1)c2ccccc2,non-mutagenic
4659-45-4,ClC(=O)c1c(Cl)cccc1Cl,mutagenic
5460-35-5,NC1=CC(=O)C(=O)c2ccccc12,mutagenic
13615-38-8,Cc1cc(c2ccccc2c1)[N+](=O)[O-],mutagenic
421-20-5,COS(=O)(=O)F,mutagenic
38083-17-9,CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n2ccnc2,non-mutagenic
58-61-7,Nc1ncnc2c1ncn2C3OC(CO)C(O)C3O,non-mutagenic
630-20-6,ClCC(Cl)(Cl)Cl,non-mutagenic
146795-46-2,[O-][N+](=O)c1cc(cs1)C(=O)Nc2ccccc2[N+](=O)[O-],mutagenic
78-85-3,CC(=C)C=O,mutagenic
790-60-3,O1c2c1c3cc4ccccc4cc3c5ccccc25,mutagenic
1836-77-7,[O-][N+](=O)c1ccc(Oc2c(Cl)cc(Cl)cc2Cl)cc1,mutagenic
NOCAS_M370,CC[C@@H](C)c1ccccc1O,non-mutagenic
2461-43-0,C(Oc1ccccc1Cc2ccccc2)C3CO3,mutagenic
10510-77-7,CC[n+]1c2ccccc2nc3ccccc13,mutagenic
53043-28-0,CC1=CC2=C(C=O)C(=O)[C@](C)(O)[C@H](O)C2=CO1,mutagenic
75586-70-8,C[n+]1c2ccccc2cc3ccc(N)cc13,mutagenic
605-71-0,[O-][N+](=O)c1cccc2c(cccc12)[N+](=O)[O-],mutagenic
3022-61-5,CC(=O)C1c2cccc(O)c2C(=O)c3c(O)cccc13,mutagenic
1746-01-6,Clc1cc2Oc3cc(Cl)c(Cl)cc3Oc2cc1Cl,non-mutagenic
92134-97-9,OCC(O)C(O)C(O)C(O)C1SCC(N1N=O)C(=O)O,non-mutagenic
57-66-9,CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)O,non-mutagenic
96-99-1,OC(=O)c1ccc(Cl)c(c1)[N+](=O)[O-],mutagenic
4205-90-7,Clc1cccc(Cl)c1NC2=NCCN2,non-mutagenic
110-61-2,N#CCCC#N,non-mutagenic
18523-48-3,OC(=O)CN=N#N,non-mutagenic
406-90-6,FC(F)(F)COC=C,mutagenic
136112-69-1,[O-][N+](=O)c1ccc(Nc2[nH]cnc3ncnc23)cc1,non-mutagenic
NOCAS_M361,OC(=O)C[C@H](Cl)C(=O)O,non-mutagenic
2657-25-2,Oc1ccc(cc1)C(=O)\C=C\c2ccccc2,non-mutagenic
109-09-1,Clc1ccccn1,mutagenic
475-54-7,CC1=C(O)C(=C(C(=O)C1=O)C2=C(O)C(=C(C)C(=O)C2=O)O)O,non-mutagenic
2872-48-2,COc1cc(N)c2C(=O)c3ccccc3C(=O)c2c1N,mutagenic
NOCAS_M105,C[C@@H](CN(C[C@H](C)OC(=O)C)N=O)OC(=O)C,mutagenic
105360-93-8,Oc1cc2ccc3cccc4ccc(n1)c2c34,mutagenic
120812-52-4,[O-][N+](=O)c1ccc2ccc3ccc(c4c5CCCCc5c1c2c34)[N+](=O)[O-],mutagenic
999-97-3,C[Si](C)(C)N[Si](C)(C)C,non-mutagenic
963-89-3,Cc1ccc2nc3c(ccc4ccccc34)c(C)c2c1,mutagenic
7627-38-5,ClCc1cnc(Cl)nc1Cl,mutagenic
146795-27-9,COc1cccc(NC(=O)c2csc(c2)[N+](=O)[O-])c1,mutagenic
116-85-8,Nc1ccc(O)c2C(=O)c3ccccc3C(=O)c12,mutagenic
92-52-4,c1ccc(cc1)c2ccccc2,non-mutagenic
71400-33-4,[O-][N+](=O)c1ccc2Oc3cc(ccc3Oc2c1)[N+](=O)[O-],mutagenic
105453-67-6,OC1C(O)c2cc3c(ccc4ccccc34)cc2c5ccccc15,mutagenic
517-82-8,CCC1=C(O)C(=O)c2c(O)c(O)c(O)c(O)c2C1=O,mutagenic
110-85-0,C1CNCCN1,non-mutagenic
138580-44-6,Cc1nc2C(=O)C=CC(=O)c2c3[nH]c4ccccc4c13,mutagenic
54755-20-3,Cc1ccc2c(cccc2c1)[N+](=O)[O-],mutagenic
33100-27-5,C1COCCOCCOCCOCCO1,non-mutagenic
13707-88-5,CC(C)NCC(O)COc1ccccc1CC=C,non-mutagenic
91259-16-4,[O-][N+](=O)c1ccc2ccc3cccc4c5ccccc5c1c2c34,mutagenic
78-34-2,CCOP(=S)(OCC)S[C@@H]1OCCO[C@H]1SP(=S)(OCC)OCC,mutagenic
106-24-1,CC(=CCC\C(=C\CO)\C)C,non-mutagenic
89-61-2,[O-][N+](=O)c1cc(Cl)ccc1Cl,mutagenic
7083-63-8,Nc1cccc2Cc3ccccc3c12,mutagenic
39932-99-5,CC12CCC3C(CCC4CC(O)CCC34C)C1CCC(=O)N2,non-mutagenic
4465-94-5,OCCCNP(=O)(O)N(CCCl)CCCl,mutagenic
115-20-8,OCC(Cl)(Cl)Cl,mutagenic
149862-55-5,CCCCNc1snc2ccccc12,non-mutagenic
103-70-8,O=CNc1ccccc1,non-mutagenic
29743-15-5,CCCCOc1ccc(\C=N\c2ccc(CC)cc2)cc1,mutagenic
490-91-5,CC(C)C1=CC(=O)C(=CC1=O)C,non-mutagenic
766-40-5,OC1OC(=O)C(=C1Cl)Cl,mutagenic
396-30-5,Fc1ccc2ncccc2c1,mutagenic
100-13-0,[O-][N+](=O)c1ccc(C=C)cc1,mutagenic
52101-36-7,COC(=O)c1occ(c2ccccc2)c1c3ccccc3,non-mutagenic
25843-45-2,CN=[N+](C)[O-],mutagenic
30039-44-2,CCC(=O)OCc1ccc(cc1)[N+](=O)[O-],mutagenic
88-85-7,CCC(C)c1cc(cc(c1O)[N+](=O)[O-])[N+](=O)[O-],non-mutagenic
83996-50-3,CCOC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1cccc(c1)N(CCCl)CCCl)NC(=O)[C@@H](N)Cc2ccc(F)cc2,mutagenic
23102-68-3,O1C2C1c3cscc3c4cscc24,mutagenic
62895-88-9,CC(C)OC(=O)c1cc(Cc2ccc(N)c(c2)C(=O)OC(C)C)ccc1N,non-mutagenic
113163-21-6,OC1C=Cc2c(ccc3cccnc23)C1O,mutagenic
25082-33-1,c1ccc2cc3c(ccc4ccncc34)cc2c1,mutagenic
1143-38-0,Oc1cccc2Cc3cccc(O)c3C(=O)c12,non-mutagenic
479-27-6,Nc1cccc2cccc(N)c12,mutagenic
158366-45-1,CC(=O)c1cccn1[N+](=O)[O-],mutagenic
100-53-8,SCc1ccccc1,non-mutagenic
133561-39-4,Nc1ccc(c2ccc(cc2N)[N+](=O)[O-])c(c1)[N+](=O)[O-],mutagenic
42522-72-5,Oc1c(Br)cc2c(Oc3c(Br)c(O)c(Br)cc3C24OS(=O)(=O)c5ccccc45)c1Br,mutagenic
103-89-9,CC(=O)Nc1ccc(C)cc1,mutagenic
122365-34-8,Nc1ncnc2c1ncn2C(c3ccccc3)c4ccccc4,mutagenic
69304-47-8,OCC1OC(CC1O)N2C=C(\C=C\Br)C(=O)NC2=O,non-mutagenic
220168-52-5,O=C(ON(OCc1ccccc1)C(=O)c2ccccc2)c3ccc(cc3)C#N,mutagenic
118353-05-2,Nc1nc(O)c2ncn(C3CC(CO)C=C3)c2n1,non-mutagenic
55481-88-4,COC(=O)c1c(O)c2ccccc2c3OC(C)(C)C=Cc13,mutagenic
1663-39-4,CC(C)(C)OC(=O)C=C,non-mutagenic
4368-56-3,Nc1c2C(=O)c3ccccc3C(=O)c2c(NC4CCCCC4)cc1S(=O)(=O)O,non-mutagenic
NOCAS_M160,CCCC[C@@H]1C(=O)N(N(C1=O)c2ccc(O)cc2)c3ccccc3,mutagenic
10318-26-0,O[C@H](CBr)[C@H](O)[C@H](O)[C@@H](O)CBr,mutagenic
161697-01-4,CCc1nc2ccc(NC)c(C)c2nc1CC,mutagenic
60110-37-4,CC(C)(Br)C(=O)NCc1ccccc1,non-mutagenic
868-85-9,COP(=O)OC,mutagenic
127-07-1,NC(=O)NO,mutagenic
28553-12-0,CC(C)CCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCC(C)C,non-mutagenic
14953-63-0,Cn1cnc(c2ccccc2)c1[N+](=O)[O-],mutagenic
98033-23-9,CNc1ccc2ccc3ccc(O)cc3c2c1,mutagenic
93261-88-2,[O-][N+](=O)c1oc(C(=O)CBr)c(c2ccccc2)c1c3ccccc3,mutagenic
91-44-1,CCN(CC)c1ccc2C(=CC(=O)Oc2c1)C,non-mutagenic
146795-39-3,[O-][N+](=O)c1cc(cs1)C(=O)Nc2cccc(Cl)c2,mutagenic
602-64-2,Oc1cc2C(=O)c3ccccc3C(=O)c2c(O)c1O,mutagenic
591-35-5,Oc1cc(Cl)cc(Cl)c1,non-mutagenic
24463-19-2,ClCc1c2ccccc2cc3ccccc13,mutagenic
103630-35-9,CC(=C)C1CCC(=C)C2C1C=C(C)C(=O)C3=C2C(=O)C(C)(O)C3,non-mutagenic
109-65-9,CCCCBr,mutagenic
95-93-2,Cc1cc(C)c(C)cc1C,non-mutagenic
136861-01-3,Nc1cc(N)c(c2ccccc2)c(c1)[N+](=O)[O-],mutagenic
146795-32-6,CCc1cccc(NC(=O)c2csc(c2)[N+](=O)[O-])c1,mutagenic
22216-66-6,COc1ccc([Se]c2ccc(OC)cc2)cc1,mutagenic
NOCAS_M248,N1[C@@H]2[C@H]1c3cccc4cccc2c34,mutagenic
129-79-3,[O-][N+](=O)c1ccc2c(c1)C(=O)c3cc(cc(c23)[N+](=O)[O-])[N+](=O)[O-],mutagenic
119-41-5,CCOC(=O)COc1ccc2C(=O)C=C(Oc2c1)c3ccccc3,non-mutagenic
NOCAS_M318,Clc1ccc(CO[C@H](Cn2ccnc2)c3ccc(Cl)cc3Cl)cc1,non-mutagenic
110-02-1,c1ccsc1,non-mutagenic
420-46-2,CC(F)(F)F,non-mutagenic
688-74-4,CCCCOB(OCCCC)OCCCC,non-mutagenic
105-95-3,O=C1CCCCCCCCCCCC(=O)OCCO1,non-mutagenic
13010-07-6,CCCN(N=O)C(=N)N[N+](=O)[O-],mutagenic
64-18-6,OC=O,non-mutagenic
76002-91-0,CC(C)(c1ccc(OCC(O)CO)cc1)c2ccc(OCC3CO3)cc2,mutagenic
97-23-4,Oc1ccc(Cl)cc1Cc2cc(Cl)ccc2O,mutagenic
74-83-9,CBr,mutagenic
96346-61-1,CN(C)c1ccc(cc1)C2CC3(C)C(CCC3(O)CCCO)C4CCC5=CC(=O)CCC5=C24,non-mutagenic
97975-05-8,OCC1OC(CC1O)N2C=C(CCCCl)C(=O)NC2=O,non-mutagenic
123-72-8,CCCC=O,non-mutagenic
106532-68-7,CCCCCC(=O)\N=C\1/SN(C(=O)CCCCC)c2ccc(cc12)[N+](=O)[O-],mutagenic
54357-08-3,Cc1ccc2cc(ccc2c1)[N+](=O)[O-],mutagenic
1124-33-0,[O-][N+](=O)c1cc[n+]([O-])cc1,mutagenic
87-68-3,ClC(=C(Cl)C(=C(Cl)Cl)Cl)Cl,non-mutagenic
25003-82-1,c1ccc2c(c1)ccc3cc4cnccc4cc23,mutagenic
61064-66-2,ClNc1ccc2c(Cc3ccccc23)c1,mutagenic
98046-75-4,[O-][N+](=O)c1cnc2c(c1)nc3ccccn23,mutagenic
18028-55-2,Cc1ccc(C)c2c3ccccc3[nH]c12,mutagenic
92130-56-8,Cc1cc2ncccc2c3ncn(C)c13,non-mutagenic
480-54-6,C\C=C/1\C[C@H](C)[C@@](O)(CO)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@H]23,mutagenic
712-12-9,CC(C)CNc1snc2ccccc12,non-mutagenic
42135-22-8,[O-][N+](=O)c1ccc2C(=O)c3ccccc3c2c1,mutagenic
153-78-6,Nc1ccc2c(Cc3ccccc23)c1,mutagenic
17309-86-3,CN(C)c1ccc(cc1)N=Nc2ccc3[nH]ncc3c2,mutagenic
49852-85-9,BrCc1c2ccccc2c3ccc4cccc5ccc1c3c45,mutagenic
836-37-3,COC(=O)\C(=C\c1oc(cc1)[N+](=O)[O-])\C#N,mutagenic
15254-64-5,Cc1cc(C)c2c(ccc3ccccc23)c1,mutagenic
619-17-0,Nc1cc(ccc1C(=O)O)[N+](=O)[O-],mutagenic
513-85-9,CC(O)C(C)O,non-mutagenic
41340-19-6,CCC1(CC(=O)O)OCCc2c1[nH]c3c(C)cccc23,non-mutagenic
3811-71-0,Nc1cc(N)c(cc1N=Nc2ccc(cc2)c3ccc(cc3)N=Nc4ccc(O)c(c4)C(=O)O)N=Nc5ccc(cc5)S(=O)(=O)O,mutagenic
95969-40-7,C[N+]1([O-])CCC(=CC1)c2ccccc2,non-mutagenic
6534-28-7,CC(=O)Nc1ccc(NC(=O)C)c2C(=O)c3ccccc3C(=O)c12,mutagenic
357-57-3,COc1cc2N3[C@H]4[C@@H]5[C@@H](CC3=O)OCC=C6CN7CC[C@]4([C@H]7C[C@@H]56)c2cc1OC,non-mutagenic
83407-42-5,CNc1c(C)cc2ncccc2c1N,non-mutagenic
24953-56-8,COc1nncc2ccccc12,non-mutagenic
83905-01-5,CCC1OC(=O)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C(OC3OC(C)CC(C3O)N(C)C)C(C)(O)CC(C)CN(C)C(C)C(O)C1(C)O,non-mutagenic
321-14-2,OC(=O)c1cc(Cl)ccc1O,non-mutagenic
62641-67-2,C[C@H]1CN(N=O)C(=O)NC1=O,mutagenic
94500-44-4,ClCc1cc2c3ccccc3cc4ccc5cccc1c5c24,mutagenic
6223-35-4,CC(C)c1ccc(C)c2c(cc(C)c2c1)S(=O)(=O)O,non-mutagenic
100-17-4,COc1ccc(cc1)[N+](=O)[O-],mutagenic
NOCAS_M212,O1[C@@H]2C=Cc3c(ccc4c5C=Cc6cccc(cc34)c56)[C@H]12,mutagenic
63642-50-2,O=C1CCCc2c1ccc3c2ccc4ccccc34,mutagenic
108-45-2,Nc1cccc(N)c1,mutagenic
140-79-4,O=NN1CCN(CC1)N=O,mutagenic
56-93-9,C[N+](C)(C)Cc1ccccc1,non-mutagenic
3173-72-6,O=C=Nc1cccc2c(cccc12)N=C=O,non-mutagenic
112-55-0,CCCCCCCCCCCCS,non-mutagenic
13395-02-3,COc1cccc2c1cc3NC(=O)c4cc5OCOc5c2c34,mutagenic
505-29-3,C1CSCCS1,mutagenic
NOCAS_M67,NC(=O)C1(O[C@H]1C(=O)c2ccccc2)C(=O)N,mutagenic
101328-75-0,CCCCCn1cc2C[C@@H]3[C@H](C=C(C)CN3C)c4cccc1c24,mutagenic
838-88-0,Cc1cc(Cc2ccc(N)c(C)c2)ccc1N,mutagenic
75-87-6,ClC(Cl)(Cl)C=O,mutagenic
16974-10-0,CCCCCC\C=C/CCCCCCOC(=O)C,non-mutagenic
135-76-2,Oc1ccc2c(cccc2c1)S(=O)(=O)O,non-mutagenic
5975-78-0,CC1CCCC(=O)CCCCCc2cc(O)cc(O)c2C(=O)O1,non-mutagenic
56-53-1,CC\C(=C(\CC)/c1ccc(O)cc1)\c2ccc(O)cc2,non-mutagenic
3025-52-3,CCN(CC)c1ccc(cc1)N=Nc2ccc(cc2)[N+](=O)[O-],mutagenic
580-15-4,Nc1ccc2ncccc2c1,non-mutagenic
98-91-9,OC(=S)c1ccccc1,non-mutagenic
962-58-3,CCOP(=O)(OCC)Oc1cc(C)nc(n1)C(C)C,mutagenic
4435-53-4,COC(C)CCOC(=O)C,non-mutagenic
299-28-5,OCC(O)C(O)C(O)C(O)C(=O)O,non-mutagenic
143603-80-9,CCOC(=O)c1[nH]c2ccccc2c1\N=C\c3ccc(O)cc3,mutagenic
2645-07-0,OC(=O)CNC(=O)c1ccc(cc1)[N+](=O)[O-],mutagenic
108-80-5,O=C1NC(=O)NC(=O)N1,non-mutagenic
84030-17-1,Oc1ccc2cc(cc(c2c1N=Nc3ccc(cc3)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O,non-mutagenic
1253-28-7,CCCCCC(=O)OC1(CCC2C3CCC4=CC(=O)CCC4C3CCC12C)C(=O)C,non-mutagenic
55556-85-9,O[C@H]1CCCN(C1)N=O,mutagenic
4252-78-2,ClCC(=O)c1ccc(Cl)cc1Cl,mutagenic
73215-03-9,[O-][N+](=O)c1ccc(CNc2[nH]cnc3ncnc23)cc1,mutagenic
13177-25-8,Nc1ccc2cccc3c4ccccc4c1c23,mutagenic
37797-31-2,CC(=O)OCc1ccc(cc1)N=Nc2ccc(COC(=O)C)cc2,mutagenic
111712-45-9,CC(OP(=O)(OC(C)C(Br)CBr)OC(C)C(Br)CBr)C(Br)CBr,mutagenic
64920-32-7,O[C@@H]1C=Cc2ccc3c(ccc4ccccc34)c2[C@H]1O,mutagenic
103946-55-0,C(OCC1CCC2OC2C1)C3CCC4OC4C3,mutagenic
57309-27-0,CC1(N(O)c2ccccc2C1=O)c3ccccc3,non-mutagenic
224-41-9,c1ccc2c(c1)ccc3cc4ccc5ccccc5c4cc23,mutagenic
135105-89-4,COc1cc(OC)c2C3C=COC3Oc2c1,mutagenic
630-16-0,BrCC(Br)(Br)Br,mutagenic
142044-37-9,C[n+]1cccc2[C@@H]3O[C@@H]3C=Cc12,mutagenic
3585-32-8,CNN=NC,mutagenic
125372-29-4,Cc1cc2ncccc2c3nc(N=N#N)n(C)c13,mutagenic
133743-71-2,COC(=O)C1=C(C)N=C(C)C(=C(O)OCCc2ccc(cc2)N3CCN(CC3)C(c4ccccc4)c5ccccc5)C1c6cccc(c6)[N+](=O)[O-],non-mutagenic
134109-03-8,OC1C=Cc2c(ccc3c(Cl)c4ccccc4cc23)C1O,mutagenic
42286-46-4,O=C1C(=O)c2cc3ccccc3c4ccc5cccc1c5c24,mutagenic
101021-43-6,Cc1ccc2c(ccc3[nH]c4ccc5ccccc5c4c23)c1,mutagenic
2782-91-4,CN(C)C(=S)N(C)C,non-mutagenic
63224-45-3,CCCCCCCCCCCCCCN(OC(=O)C)c1ccc2c(Cc3ccccc23)c1,mutagenic
463-51-4,C=C=O,mutagenic
119239-64-4,OC1C(O)c2ccc3c(ccc[n+]3[O-])c2C4OC14,non-mutagenic
2039-87-4,Clc1ccccc1C=C,non-mutagenic
88746-58-1,BrCc1cc2c3ccccc3c4cccc(c1)c24,mutagenic
90301-75-0,NC1=NC(=O)N(C=C1CCCl)C2CC(O)C(CO)O2,non-mutagenic
4189-44-0,NC(=S(=O)=O)N,mutagenic
191861-18-4,Fc1cnc2c(ccc3ncc(F)cc23)c1,non-mutagenic
299-88-7,C\C(=C(/CCOC(=O)c1ccccc1)\SC(=O)c2ccccc2)\N(Cc3cnc(C)nc3N)C=O,non-mutagenic
37364-66-2,C[C@@H](O)[C@H](NC(=O)[C@@H](C)[C@H](O)[C@@H](C)NC(=O)[C@@H](NC(=O)c1nc(nc(N)c1C)[C@H](CC(=O)N)NC[C@H](N)C(=O)N)[C@@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@H](O)[C@@H]2O[C@H]3O[C@H](CO)[C@@H](O)[C@H](OC(=O)N)[C@@H]3O)c4c[nH]cn4)C(=O)NCCc5nc(cs5)c6nc(cs6)C(=O)O,non-mutagenic
618-87-1,Nc1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-],mutagenic
14918-69-5,Oc1c(Cl)c(Cl)c(O)c2C(=O)C=CC(=O)c12,mutagenic
27321-96-6,CC(C)CCCC(C)C1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OCCOCCO,non-mutagenic
172374-59-3,CC(=O)Nc1ccc(Oc2ccc(cc2)N(O)C=O)cc1,mutagenic
146795-42-8,[O-][N+](=O)c1cc(cs1)C(=O)Nc2cccc(Br)c2,mutagenic
396-31-6,Fc1cnc2ccccc2c1,non-mutagenic
5437-38-7,Cc1cccc(C(=O)O)c1[N+](=O)[O-],mutagenic
122-69-0,O=C(OC\C=C\c1ccccc1)\C=C\c2ccccc2,mutagenic
3689-24-5,CCOP(=S)(OCC)OP(=S)(OCC)OCC,mutagenic
34433-31-3,NC(=O)c1cc[n+](COC[n+]2ccccc2\C=N\O)cc1,non-mutagenic
117066-35-0,O[C@H]1[C@H](O)c2nc3ccc4ccccc4c3cc2c5ccccc15,non-mutagenic
1116-40-1,CC(C)CN(CC(C)C)CC(C)C,non-mutagenic
153654-34-3,Oc1c(cc2c3ccccc3[nH]c2c1[N+](=O)[O-])[N+](=O)[O-],mutagenic
589-15-1,BrCc1ccc(Br)cc1,non-mutagenic
83-38-5,Clc1cccc(Cl)c1C=O,non-mutagenic
102408-26-4,CNc1nc2c3cccnc3ccc2n1C,mutagenic
66860-80-8,ClCC1(C(Cl)Cl)C2C(Cl)C(Cl)C1(C(Cl)Cl)C(Cl)C2Cl,non-mutagenic
107-15-3,NCCN,mutagenic
153260-24-3,Nc1nc2C3CCCNC3CCc2s1,non-mutagenic
133-37-9,O[C@@H]([C@H](O)C(=O)O)C(=O)O,non-mutagenic
54954-12-0,OC[C@H]1O[C@@H](Oc2cc(O)cc3Oc4c(O)ccc(O)c4C(=O)c23)[C@H](O)[C@@H](O)[C@@H]1O,mutagenic
148-79-8,c1ccc2[nH]c(nc2c1)c3cscn3,mutagenic
2438-72-4,CCCCOc1ccc(CC(=O)NO)cc1,mutagenic
5709-67-1,[O-][N+](=O)c1nc2ccccc2[nH]1,mutagenic
67730-11-4,Cc1cccn2c1nc3ccc(N)nc23,mutagenic
5855-71-0,Nc1ccc(c2ccc(N)cc2[N+](=O)[O-])c(c1)[N+](=O)[O-],mutagenic
159092-81-6,[O-][N+](=O)c1ccc2c(c1)cc(c3ccc(cc23)[N+](=O)[O-])[N+](=O)[O-],mutagenic
645-09-0,NC(=O)c1cccc(c1)[N+](=O)[O-],mutagenic
92-48-8,Cc1ccc2OC(=O)C=Cc2c1,non-mutagenic
53-43-0,CC12CCC3C(CC=C4CC(O)CCC34C)C1CCC2=O,non-mutagenic
100-65-2,ONc1ccccc1,mutagenic
153654-32-1,Oc1c(cc2c3cc(ccc3[nH]c2c1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],mutagenic
623-10-9,Cc1ccc(NO)cc1,mutagenic
91-23-6,COc1ccccc1[N+](=O)[O-],mutagenic
119-39-1,Oc1nncc2ccccc12,non-mutagenic
88-05-1,Cc1cc(C)c(N)c(C)c1,mutagenic
809-73-4,CC(C)(C)C1=CC(=CC=C2C=C(C(=O)C(=C2)C(C)(C)C)C(C)(C)C)C=C(C1=O)C(C)(C)C,non-mutagenic
111070-57-6,[O-][N+](=O)c1oc(\C=N\N2C(=O)C=C(C=C2c3ccccc3)c4ccccc4)cc1,mutagenic
19322-27-1,CC1=C(O)C(=O)CO1,mutagenic
NOCAS_M260,CC[C@@H](Cl)[N+](=O)[O-],mutagenic
31383-81-0,COC(=O)c1cc(Cc2ccc(N)c(c2)C(=O)OC)ccc1N,mutagenic
40855-12-7,OCCNCc1oc(cc1)[N+](=O)[O-],mutagenic
149396-88-3,COc1cc(C(O)c2ncc([N+](=O)[O-])n2C)c(O)c(c1)C(C)(C)C,mutagenic
88-89-1,Oc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],mutagenic
67604-48-2,Oc1ccc(cc1)C2CC(=O)c3c(O)cc(O)cc3O2,non-mutagenic
122-48-5,COc1cc(CCC(=O)C)ccc1O,non-mutagenic
134-72-5,CN[C@H](C)[C@@H](O)c1ccccc1,non-mutagenic
62-31-7,NCCc1ccc(O)c(O)c1,mutagenic
18829-55-5,CCCC\C=C\C=O,mutagenic
58086-32-1,COC(=O)c1cccc2Oc3c4[C@@H]5C=CO[C@H]5Oc4cc(OC)c3C(=O)c12,mutagenic
1845-30-3,CC1=CC(O)C2CC1C2(C)C,non-mutagenic
163930-30-1,ICCc1ccc(OCc2ccccc2)cc1,mutagenic
143603-75-2,CCOC(=O)c1[nH]c2ccccc2c1\N=C\c3cc(OC)c(OC)c(OC)c3,mutagenic
NOCAS_M101,[O-][N+](=O)c1ccc(s1)[C@@H]2NC(=O)c3ccccc3N2,mutagenic
129401-88-3,C=CC(=O)N1CCN(CC1)c2ccccc2,non-mutagenic
39565-00-9,CC(=O)c1ccc(s1)[N+](=O)[O-],mutagenic
290-37-9,c1cnccn1,non-mutagenic
2523-37-7,CC1c2ccccc2c3ccccc13,mutagenic
79-94-7,CC(C)(c1cc(Br)c(O)c(Br)c1)c2cc(Br)c(O)c(Br)c2,non-mutagenic
107-25-5,COC=C,non-mutagenic
152-84-1,OC1COC(OCC2OC(Oc3ccc4C(=O)c5ccccc5C(=O)c4c3O)C(O)C(O)C2O)C(O)C1O,non-mutagenic
79-43-6,OC(=O)C(Cl)Cl,mutagenic
82-05-3,O=C1c2ccccc2c3cccc4cccc1c34,mutagenic
111712-47-1,CC(Br)C(Br)COP(=O)(OCC(Br)C(C)Br)OCC(Br)C(C)Br,mutagenic
34256-82-1,CCOCN(C(=O)CCl)c1c(C)cccc1CC,non-mutagenic
80-82-0,OS(=O)(=O)c1ccccc1[N+](=O)[O-],non-mutagenic
106-30-9,CCCCCCC(=O)OCC,non-mutagenic
39638-32-9,CC(C)(Cl)OC(C)(C)Cl,mutagenic
4792-83-0,CCOc1ccc(cc1)N=[N+]([O-])c2ccc(OCC)cc2,non-mutagenic
78448-07-4,Oc1ccc2c(ccc3[nH]c4ccc5ccccc5c4c23)c1,mutagenic
82-50-8,OS(=O)(=O)c1cccc2C(=O)c3c(cccc3[N+](=O)[O-])C(=O)c12,mutagenic
NOCAS_M174,CC(=C)C(=O)OC[C@H]1CO1,mutagenic
125157-98-4,CC1C2C(=Nc3ccc(C)cc23)N(C)c4ccccc14,mutagenic
21638-36-8,CC1CN(\N=C\c2oc(cc2)[N+](=O)[O-])C(=O)N1,mutagenic
109621-21-8,COC(=O)C(CSCC(Br)c1ccccc1)NC(=O)C,non-mutagenic
72-57-1,Cc1cc(ccc1N=Nc2c(O)c3c(N)cc(cc3cc2S(=O)(=O)O)S(=O)(=O)O)c4ccc(N=Nc5c(O)c6c(N)cc(cc6cc5S(=O)(=O)O)S(=O)(=O)O)c(C)c4,mutagenic
140-49-8,CC(=O)Nc1ccc(cc1)C(=O)CCl,mutagenic
2832-19-1,OCNC(=O)CCl,non-mutagenic
497841-28-8,C[C@@H](Nc1[nH]cnc2nc(cc12)c3ccc(CCl)cc3)c4ccccc4,mutagenic
96910-73-5,CC1C=C(C=O)C(=CC2(O)CC(C)(C)CC12)C=O,mutagenic
25956-17-6,COc1cc(c(C)cc1N=Nc2c(O)ccc3cc(ccc23)S(=O)(=O)O)S(=O)(=O)O,non-mutagenic
57816-08-7,C1c2ccc3ccccc3c2Cc4ccc5ccccc5c14,mutagenic
1149-99-1,CC1=C2C(O)C(C)(CO)C=C2C(=O)C(C)(O)C13CC3,mutagenic
624-76-0,OCCI,mutagenic
14882-94-1,CC(=O)OC(C)(C)C1Cc2cc3C=C(C(=O)Oc3cc2O1)C(C)(C)C=C,non-mutagenic
100-03-8,OS(=O)c1ccc(Cl)cc1,non-mutagenic
57-41-0,O=C1NC(=O)C(N1)(c2ccccc2)c3ccccc3,non-mutagenic
835-64-3,Oc1ccccc1c2oc3ccccc3n2,non-mutagenic
68268-44-0,CC(C)CN(C(=O)CCCl)c1snc2ccccc12,non-mutagenic
91-93-0,COc1cc(ccc1N=C=O)c2ccc(N=C=O)c(OC)c2,mutagenic
74940-61-7,COP(=O)(OC)C(OC(=O)CCl)C(Cl)(Cl)Cl,non-mutagenic
393-77-1,Oc1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-],non-mutagenic
62018-92-2,CCCCN(CCC(=O)O)N=O,mutagenic
25074-67-3,Clc1ccc2c(oc3ccccc23)c1,mutagenic
124878-08-6,COc1cc(OC)c(cc1OC)C2OC2C,mutagenic
119-26-6,NNc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],mutagenic
522-06-5,COc1c2ccoc2nc3c(OC)c4OCOc4cc13,mutagenic
119-15-3,Oc1ccc(Nc2ccc(cc2[N+](=O)[O-])[N+](=O)[O-])cc1,mutagenic
75464-10-7,CCC(=O)C1c2cccc(O)c2C(=O)c3c(O)cccc13,mutagenic
3626-29-7,OC(=O)c1cc(ccc1O)N=Nc2ccc(cc2)c3ccc(cc3)N=Nc4ccc(N=Nc5ccc(O)c(c5)C(=O)O)c6cc(ccc46)S(=O)(=O)O,mutagenic
158729-30-7,[O-][N+](=O)c1cc(NS(=O)(=O)c2cccc3cccnc23)ccc1Cl,non-mutagenic
67274-52-6,CC(=O)N(O)c1ccc(cc1)[N+](=O)[O-],mutagenic
334-48-5,CCCCCCCCCC(=O)O,non-mutagenic
96563-01-8,NC(CSC(F)(F)C(F)Cl)C(=O)O,non-mutagenic
482-27-9,COc1c2OC(=O)C=Cc2c(OC)c3ccoc13,non-mutagenic
1563-66-2,CNC(=O)Oc1cccc2CC(C)(C)Oc12,non-mutagenic
108283-47-2,CC(C)(C)OC(=O)C(N)CN=N#N,mutagenic
94-80-4,CCCCOC(=O)COc1ccc(Cl)cc1Cl,non-mutagenic
634-67-3,Nc1ccc(Cl)c(Cl)c1Cl,non-mutagenic
31647-36-6,Cc1cc2cccc3ccc4c5ccccc5cc1c4c23,mutagenic
1574-41-0,C\C=C/C=C,non-mutagenic
611-33-6,Clc1cccc2cccnc12,mutagenic
65271-80-9,OCCNCCNc1ccc(NCCNCCO)c2C(=O)c3c(O)ccc(O)c3C(=O)c12,mutagenic
341-69-5,CN(C)CCO[C@H](c1ccccc1)c2ccccc2C,non-mutagenic
NOCAS_M231,CCc1c(O)ccc2c3CCO[C@@](CC)(CC(=O)O)c3[nH]c12,mutagenic
57-83-0,CC(=O)[C@H]1CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,non-mutagenic
603-02-1,Cc1ccc(c(C)c1[N+](=O)[O-])[N+](=O)[O-],mutagenic
6300-61-4,Cc1cc(N=Nc2ccc(cc2)S(=O)(=O)O)c(N)cc1N,mutagenic
5141-20-8,CCN(Cc1cccc(c1)S(=O)(=O)O)c2ccc(cc2)C(=C3C=CC(=[N+](CC)Cc4cccc(c4)S(=O)(=O)O)C=C3)c5ccc(cc5)S(=O)(=O)O,mutagenic
13177-26-9,Nc1cc2c3ccccc3c4cccc(c1)c24,mutagenic
10567-95-0,Cc1cc2c(C)c3ccccc3nc2c4ccccc14,mutagenic
488-11-9,OC(=O)\C(=C(/Br)\C=O)\Br,mutagenic
141-84-4,O=C1CSC(=S)N1,non-mutagenic
58632-95-4,CC(C)(C)OC(=O)O\N=C(/C#N)\c1ccccc1,non-mutagenic
106-95-6,BrCC=C,mutagenic
314-40-9,CCC(C)N1C(=O)NC(=C(Br)C1=O)C,non-mutagenic
53757-28-1,[O-][N+](=O)c1oc(cc1)c2cscn2,mutagenic
2315-20-0,NC(=N)NN=C(\C=C/c1oc(cc1)[N+](=O)[O-])\C=C/c2oc(cc2)[N+](=O)[O-],mutagenic
NOCAS_M526,ClC1=C(Cl)[C@@]2(Cl)[C@H]3COS(=O)OC[C@@H]3[C@]1(Cl)C2(Cl)Cl,non-mutagenic
120-82-1,Clc1ccc(Cl)c(Cl)c1,non-mutagenic
NOCAS_M456,COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@@H]([C@H](O)[C@H](C)O5)N6CCOC[C@H]6C#N)c4c(O)c3C(=O)c12)C(=O)CO,non-mutagenic
98736-45-9,COc1cccc(CN(C)N=O)c1,mutagenic
13007-92-6,[C-]#[O+],non-mutagenic
38915-38-7,CCCCOc1ccc2nc3cc(Cl)ccc3c(NCCCNCCCl)c2n1,mutagenic
108-69-0,Cc1cc(C)cc(N)c1,mutagenic
58-90-2,Oc1c(Cl)cc(Cl)c(Cl)c1Cl,non-mutagenic
2598-29-0,CC(=O)Oc1cccc2cccnc12,non-mutagenic
34522-72-0,Fc1cc(F)c2cccnc2c1,mutagenic
3179-47-3,CCCCCCCCCCOC(=O)C(=C)C,non-mutagenic
579-07-7,CC(=O)C(=O)c1ccccc1,non-mutagenic
27532-75-8,Cc1ccc2cc3ccccc3c(C)c2c1,mutagenic
958-09-8,Nc1ncnc2c1ncn2C3CC(O)C(CO)O3,non-mutagenic
75-33-2,CC(C)S,non-mutagenic
4985-70-0,Clc1cccc2cc3ccccc3cc12,non-mutagenic
72076-98-3,c1ccc2c(c1)cc3sc4cccc5ccc2c3c45,mutagenic
91598-91-3,CC(=O)Nc1ccc2ccc3c(O)ccc4ccc1c2c34,mutagenic
81-48-1,Cc1ccc(Nc2ccc(O)c3C(=O)c4ccccc4C(=O)c23)cc1,non-mutagenic
86412-49-9,CC(=O)N(O)c1ccc(Cl)c(Cl)c1,non-mutagenic
160543-04-4,OCc1ccc2nc3c(ccc4ccccc34)c(CO)c2c1,mutagenic
27946-19-6,ClC(C(=O)NCc1ccccc1)c2ccccc2,mutagenic
8065-41-6,C[C@@H](O)[C@@H](N)[C@H](O)[C@H](O)C=O,non-mutagenic
3268-87-9,Clc1c(Cl)c(Cl)c2Oc3c(Cl)c(Cl)c(Cl)c(Cl)c3Oc2c1Cl,non-mutagenic
4494-26-2,OCC1OC(CC1O)N2C=C(C=O)C(=O)NC2=O,non-mutagenic
1689-71-0,O1C(C1c2ccccc2)c3ccccc3,non-mutagenic
94500-53-5,OCc1cc2cccc3ccc4cc5ccccc5c1c4c23,non-mutagenic
145627-70-9,OC1C(O)c2ccc3c4CCCc4ccc3c2C5OC15,mutagenic
21655-84-5,Cc1nccc2c3ccccc3[nH]c12,mutagenic
144605-96-9,COC(=O)C1Cc2c([nH]c3ccc(cc23)[N+](=O)[O-])C(C)N1N=O,mutagenic
14097-03-1,CCN(CC[N+](C)(C)C)c1ccc(cc1)N=Nc2ccc(cc2Cl)[N+](=O)[O-],mutagenic
35231-44-8,COc1ccc2C(=CC(=O)Oc2c1)CBr,non-mutagenic
120209-97-4,Nc1ccc2nc3cc(N)ccc3nc2c1,mutagenic
389104-59-0,CC(C)(C)c1c(N)ccc2c1Cc3ccccc23,non-mutagenic
91-20-3,c1ccc2ccccc2c1,non-mutagenic
150-76-5,COc1ccc(O)cc1,non-mutagenic
98033-22-8,CN1CCc2c1ccc3ccc4ccc(O)cc4c23,mutagenic
132742-04-2,[O-][N+](=O)c1ccc2ccc3c4C=CCCc4cc5ccc1c2c35,mutagenic
NOCAS_M534,C[C@@H](O)CNC[C@@H](C)O,non-mutagenic
51-17-2,c1ccc2[nH]cnc2c1,non-mutagenic
66850-95-1,OC(=O)CCC(NC(=O)COc1cc(Cl)c(Cl)cc1Cl)C(=O)O,non-mutagenic
152-20-5,COP(=O)(OC)SC,non-mutagenic
19020-26-9,CCc1ccnc2ccccc12,non-mutagenic
54556-98-8,CCCOC(C(=O)OC1CCN(C)CC1)(c2ccccc2)c3ccccc3,non-mutagenic
34430-24-5,CCC[CH-][N+](=O)[O-],non-mutagenic
843-55-0,Oc1ccc(cc1)C2(CCCCC2)c3ccc(O)cc3,non-mutagenic
42509-80-8,CCOP(=S)(OCC)Oc1nc(Cl)n(n1)C(C)C,mutagenic
2393-18-2,Nc1ccc(\C=C\C(=O)O)cc1,non-mutagenic
352-11-4,Fc1ccc(CCl)cc1,non-mutagenic
95-63-6,Cc1ccc(C)c(C)c1,non-mutagenic
627-03-2,CCOCC(=O)O,non-mutagenic
39501-62-7,ONc1ccc(Oc2ccccc2)cc1,mutagenic
150-30-1,NC(Cc1ccccc1)C(=O)O,non-mutagenic
91-95-2,Nc1ccc(cc1N)c2ccc(N)c(N)c2,mutagenic
78996-87-9,Cc1cc2c(O)cccc2c3cc4ccccc4cc13,mutagenic
81840-15-5,COc1ccc(cc1OC)C(=O)N2CCN(CC2)c3ccc4NC(=O)CCc4c3,non-mutagenic
105-54-4,CCCC(=O)OCC,non-mutagenic
4560-58-1,CC(CCC(=O)O)C1CCC2C3CCC4CC(O)CCC4(C)C3CC(=O)C12C,non-mutagenic
10353-98-7,[O-][N+](=O)c1ccc2cccc3C=Cc1c23,mutagenic
2223-82-7,CC(C)(COC(=O)C=C)COC(=O)C=C,non-mutagenic
103088-83-1,O=C1C=Cc2ccc3c(ccc4ccccc34)c2C1=O,mutagenic
608-25-3,Cc1c(O)cccc1O,non-mutagenic
85-83-6,Cc1ccccc1N=Nc2ccc(N=Nc3c(O)ccc4ccccc34)c(C)c2,mutagenic
80266-02-0,COc1cc(NS(=O)(=O)C)ccc1Nc2c3ccccc3nc4cc(ccc24)N=N#N,mutagenic
6754-13-8,C[C@@H]1C[C@H]2OC(=O)C(=C)[C@H]2[C@H](O)[C@]3(C)[C@H]1C=CC3=O,non-mutagenic
2307-69-9,CC(C)OS(=O)(=O)c1ccc(C)cc1,mutagenic
102877-14-5,Nc1cccc2nc3cccc(N)c3nc12,non-mutagenic
NOCAS_M323,CN(C)CC[C@@H](c1ccccc1)c2ccccn2,non-mutagenic
100-00-5,[O-][N+](=O)c1ccc(Cl)cc1,mutagenic
13925-00-3,CCc1cnccn1,non-mutagenic
58139-51-8,Nc1nc(cs1)c2cc(cs2)[N+](=O)[O-],mutagenic
215226-73-6,OC(=O)\C(=C(\CCl)/C(Cl)Cl)\Cl,mutagenic
556-18-3,Nc1ccc(C=O)cc1,non-mutagenic
87976-77-0,OS(=O)(=O)OCc1c2ccccc2cc3c1ccc4ccccc34,mutagenic
6837-97-4,Oc1ccc(Cl)c2C(=O)c3c(O)ccc(Cl)c3C(=O)c12,mutagenic
156-51-4,OS(=O)(=O)ONNCCc1ccccc1,mutagenic
4836-66-2,OCc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],mutagenic
156243-44-6,CNc1ccc2ncc(C)nc2c1C,mutagenic
42464-80-2,CC(=O)Nc1cccc2ncccc12,non-mutagenic
676-46-0,OC(CC(=O)O)C(=O)O,non-mutagenic
160637-28-5,Cc1ccc2nc3c4C=CC(O)C(O)c4ccc3c(C)c2c1,mutagenic
71439-68-4,C1CN=C(N\N=C\c2c3ccccc3c(\C=N\NC4=NCCN4)c5ccccc25)N1,mutagenic
15444-20-9,COc1cc2ccnc3C(=O)c4ccccc4c(c1OC)c23,mutagenic
1555-94-8,CCOc1cccc2cccnc12,non-mutagenic
94-41-7,O=C(\C=C\c1ccccc1)c2ccccc2,non-mutagenic
105-39-5,CCOC(=O)CCl,non-mutagenic
131524-41-9,O\N=C\c1cccc[n+]1CCOCC#C,non-mutagenic
527-61-7,CC1=CC(=O)C=C(C)C1=O,non-mutagenic
555-77-1,ClCCN(CCCl)CCCl,non-mutagenic
3077-85-8,[O-][N+](=O)c1ccc2[nH]c3ccccc3c2c1,mutagenic
105928-88-9,NC(CN=N#N)C(=O)O,mutagenic
90223-04-4,Cn1c(N)nc2cc(O)ccc12,non-mutagenic
81593-11-5,CS(=O)(=O)N1C2C1c3ccccc3c4ccccc24,mutagenic
4812-40-2,OCCn1c(CO)ncc1[N+](=O)[O-],mutagenic
50-24-8,C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO,non-mutagenic
149127-57-1,CCN=NC(C)(C)OO,non-mutagenic
79-20-9,COC(=O)C,non-mutagenic
79-00-5,ClCC(Cl)Cl,non-mutagenic
100288-36-6,CC1C=C(C=O)C(C=O)C(O)C2CC(C)(C)CC12,non-mutagenic
81-14-1,CC(=O)c1c(C)c(c(c(c1C)[N+](=O)[O-])C(C)(C)C)[N+](=O)[O-],non-mutagenic
1068-57-1,CC(=O)NN,mutagenic
2835-95-2,Cc1ccc(N)cc1O,mutagenic
107456-13-3,CCCCOC(=O)c1cccc2cccnc12,non-mutagenic
343-27-1,COc1ccc2c(c1)[nH]c3c(C)nccc23,mutagenic
87625-62-5,CC1CC2(OC3OC(CO)C(O)C(O)C3O)C=C(C)C4(CC4)C(C)(O)C2C1=O,mutagenic
88598-58-7,[O-][N+](=O)c1c2CCCCc2c3ccc4cccc5ccc1c3c45,non-mutagenic
149396-89-4,Cn1c(ncc1[N+](=O)[O-])C(O)c2cc(cc(c2O)C(C)(C)C)C(C)(C)C,non-mutagenic
1838-56-8,CC(=O)Nc1cc2Cc3ccccc3c2cc1O,non-mutagenic
7597-18-4,[O-][N+](=O)c1ccc2c[nH]nc2c1,mutagenic
13675-34-8,CC(=C)C(=O)OCCCCCOC(=O)C(=C)C,non-mutagenic
575-41-7,Cc1cc(C)c2ccccc2c1,non-mutagenic
NOCAS_M471,CCCCCCCCCCCC[C@H]1CO1,non-mutagenic
155164-67-3,Cc1ccc(cc1)C(=O)N2N=CC(=C(Cl)C2=O)Cl,non-mutagenic
140460-97-5,OC1C2OC2c3c(ccc4cc5c(ccc6ccccc56)nc34)C1O,mutagenic
138805-29-5,Cc1ccc(N)cc1N=Nc2cc(N)ccc2C,mutagenic
51-44-5,OC(=O)c1ccc(Cl)c(Cl)c1,non-mutagenic
36274-29-0,Cc1ncc2CCCc2n1,non-mutagenic
357204-50-3,CCCCON(OC(=O)C)C(=O)c1ccc2ccccc2c1,mutagenic
33868-17-6,CN(N=O)C#N,mutagenic
1897-45-6,Clc1c(Cl)c(C#N)c(Cl)c(C#N)c1Cl,non-mutagenic
271-89-6,o1ccc2ccccc12,non-mutagenic
81-88-9,CCN(CC)c1ccc2c(c3ccccc3C(=O)O)c4ccc(cc4[o+]c2c1)N(CC)CC,mutagenic
100-97-0,C1N2CN3CN(CN1C3)C2,mutagenic
NOCAS_M460,C[N@+]1([O-])CCC[C@@H]1c2cccnc2,non-mutagenic
2835-68-9,NC(=O)c1ccc(N)cc1,non-mutagenic
4548-53-2,Cc1cc(C)c(cc1N=Nc2cc(c3ccccc3c2O)S(=O)(=O)O)S(=O)(=O)O,non-mutagenic
50618-02-5,COc1ccc(cc1)C2OC2C,mutagenic
621-95-4,Nc1ccc(CCc2ccc(N)cc2)cc1,mutagenic
218-01-9,c1ccc2c(c1)ccc3c4ccccc4ccc23,mutagenic
24245-98-5,[O-][N+](=O)c1cccc2nscc12,mutagenic
2437-29-8,CN(C)c1ccc(cc1)C(=C2C=CC(=[N+](C)C)C=C2)c3ccccc3,non-mutagenic
117-61-3,Nc1ccc(c2ccc(N)cc2S(=O)(=O)O)c(c1)S(=O)(=O)O,non-mutagenic
13132-28-0,[O-][N+](=O)C1=Cc2cccc3cccc1c23,mutagenic
108-21-4,CC(C)OC(=O)C,non-mutagenic
53757-30-5,[O-][N+](=O)c1oc(\C=C/c2csc(NC=O)n2)cc1,mutagenic
116374-64-2,COC(=O)c1ccc(c2c(NCCCN(C)C)c3ccccc3nc12)[N+](=O)[O-],mutagenic
17241-59-7,OCc1ccc2C(=O)c3ccccc3C(=O)c2c1,non-mutagenic
54292-63-6,CCN(CC)c1ccc(cc1)N=Nc2cccnc2,non-mutagenic
110-49-6,COCCOC(=O)C,mutagenic
80214-83-1,CCC1OC(=O)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C(OC3OC(C)CC(C3O)N(C)C)C(C)(O)CC(C)\C(=N\OCOCCOC)\C(C)C(O)C1(C)O,non-mutagenic
23537-16-8,Cc1cc(O)c2C(=C3C(=O)C4C(O)C5C6C(O)C(C(=O)C7=C(O)c8c(O)cc(C)cc8C(=O)C467)C35C(=O)c2c1)O,non-mutagenic
613-50-3,[O-][N+](=O)c1ccc2ncccc2c1,mutagenic
191861-16-2,Fc1cc2cccnc2c3cccnc13,mutagenic
106532-69-8,CCCCCCCC(=O)\N=C\1/SN(C(=O)CCCCCCC)c2ccc(cc12)[N+](=O)[O-],mutagenic
6149-33-3,Nc1ccc(Oc2ccc(cc2)[N+](=O)[O-])cc1,mutagenic
17722-71-3,OC(=O)CCC(=O)Nc1ccc(Cl)c(Cl)c1,non-mutagenic
79-41-4,CC(=C)C(=O)O,non-mutagenic
607-59-0,CN(C)c1ccc(cc1)N=Nc2cccc3ccccc23,mutagenic
54-88-6,CN(C)c1ccc(N=Nc2ccccc2)c(C)c1,mutagenic
23250-39-7,Nc1c2ccccc2nc3ccc(Cl)cc13,mutagenic
93106-60-6,CCN1CCN(CC1)c2cc3N(C=C(C(=O)O)C(=O)c3cc2F)C4CC4,mutagenic
118745-12-3,CCC(=O)N(O)c1ccc(\C=C\c2ccccc2)cc1,mutagenic
NOCAS_M218,BrC[C@@H](Br)COP(=O)(OC[C@H](Br)CBr)OC[C@H](Br)CBr,mutagenic
74340-04-8,OC1C=Cc2c(cc3c4ccccc4c5c6ccccc6cc2c35)C1O,mutagenic
4463-22-3,CC(=O)N(O)c1ccc(cc1)c2ccccc2,mutagenic
2212-99-9,CC1(C)CC2C=C(C=O)C34CC3(C2C1)C(=O)OC4O,mutagenic
NOCAS_M90,C[C@@]1(CO1)c2ccc(cc2)[N+](=O)[O-],mutagenic
31464-26-3,CN(CCC#N)c1ccc(cc1)N=Nc2ccccc2,mutagenic
26761-45-5,CCCCCCC(C)(C)C(=O)OC[C@@H]1CO1,mutagenic
116-14-3,FC(=C(F)F)F,non-mutagenic
138914-14-4,C[C@H](CO)[N+](=O)[O-],non-mutagenic
2390-59-2,CCN(CC)c1ccc(cc1)C(=C2C=CC(=[N+](CC)CC)C=C2)c3ccc(cc3)N(CC)CC,mutagenic
15356-70-4,CC(C)[C@H]1CC[C@H](C)C[C@@H]1O,non-mutagenic
117066-30-5,OC1C=Cc2c(ccc3nc4ccc5ccccc5c4cc23)C1O,mutagenic
NOCAS_M84,CC[C@@]12O[C@]1(C(=O)OC)C(=O)O[C@H]2C,mutagenic
NOCAS_M245,CCCCCCOC[C@H]1CO1,mutagenic
85977-49-7,CN(C)S(=O)(=O)CCNC(=O)N(CCCl)N=O,mutagenic
57-50-1,OCC1OC(OC2(CO)OC(CO)C(O)C2O)C(O)C(O)C1O,non-mutagenic
NOCAS_M461,CCCCCCCCC\C=C\C[C@H]1CC(=O)OC1=O,non-mutagenic
183249-38-9,CC1C=Cc2ccc3ccc4ccccc4c3c12,non-mutagenic
37151-16-9,Nc1nc(nc2c1ncn2C3OC(CO)C(O)C3O)c4ccc(cc4)[N+](=O)[O-],mutagenic
151378-31-3,OC1C(O)c2cccc3c4cc5ccccc5cc4C6(OC16)c23,mutagenic
1169-60-4,COC(=O)c1cc2OCOc2c3c4cccc(OC)c4cc(c13)[N+](=O)[O-],mutagenic
NOCAS_M426,C[C@@H]1C(C)(C)c2cc(C)c(cc2C1(C)C)C(=O)C,non-mutagenic
10396-63-1,OC1COC(Nc2ccc(cc2)[N+](=O)[O-])C(O)C1O,non-mutagenic
110786-18-0,[O-][N+](=O)c1ccccc1COC(=O)c2ccccc2,non-mutagenic
1609-93-4,OC(=O)\C=C\Cl,mutagenic
81943-37-5,CC(=O)OCN(N=O)c1ccccc1,mutagenic
96-54-8,Cn1cccc1,non-mutagenic
574-25-4,OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(S)ncnc23,mutagenic
144561-63-7,[O-][N+](=O)c1ccc2c(CCc3cc4CCCCc4cc23)c1,mutagenic
357204-48-9,[O-][N+](=O)c1cccc(c1)C(=O)ON(OCc2ccccc2)C(=O)c3ccccc3,mutagenic
137-07-5,Nc1ccccc1S,mutagenic
88-44-8,Cc1ccc(N)c(c1)S(=O)(=O)O,non-mutagenic
135086-92-9,Oc1c2nc3ccccc3c2nnn1\N=C\c4ccccc4,mutagenic
56-04-2,Cc1cc(O)nc(S)n1,non-mutagenic
NOCAS_M129,ClC(Cl)(Cl)SN1C(=O)[C@@H]2CC=CC[C@H]2C1=O,mutagenic
6203-18-5,CN(C)c1ccc(\C=C\C=O)cc1,non-mutagenic
16568-02-8,C\C=N\N(C)C=O,non-mutagenic
NOCAS_M301,CCO[P@](=O)(Oc1ccc(cc1)[N+](=O)[O-])c2ccccc2,mutagenic
789-07-1,[O-][N+](=O)c1cc2ccc3cccc4ccc(c1)c2c34,mutagenic
142438-60-6,COC(=O)C12OC1(C)C(C)OC2=O,mutagenic
65199-11-3,O=C1C=Cc2c(cc3ccc4cccc5ccc2c3c45)C1=O,mutagenic
2106-54-9,OC(=O)C(F)(F)C(F)(Cl)C(F)(F)C(F)(Cl)C(F)(F)Cl,non-mutagenic
2381-15-9,Cc1ccc2cc3ccc4ccccc4c3cc2c1,mutagenic
10147-37-2,CC(C)S(=O)(=O)Cl,mutagenic
16323-43-6,OC(=O)\C=C\c1ccc(\C=C\C(=O)O)cc1,non-mutagenic
183249-39-0,O=C1CCc2c3CCCc3c4c(ccc5ccccc45)c12,non-mutagenic
5116-24-5,OC[C@H]1O[C@H](C[C@H]1O)N2C=C(CO)C(=O)NC2=O,mutagenic
18559-59-6,COc1cc(CC2NCCc3cc(O)c(O)cc23)cc(OC)c1OC,non-mutagenic
18296-45-2,CC(C)CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@H]1C[C@H](OC(=O)C)[C@]23CO3,mutagenic
99124-76-2,NC(CCCCNC=CC=O)C(=O)O,mutagenic
104-67-6,CCCCCCCC1CCC(=O)O1,non-mutagenic
140-29-4,N#CCc1ccccc1,non-mutagenic
90594-13-1,Nc1cnc2c(c1)nc3ccccn23,mutagenic
17564-64-6,ClCN1C(=O)c2ccccc2C1=O,mutagenic
843-23-2,CC(=O)N(O)c1ccc(\C=C\c2ccccc2)cc1,mutagenic
38914-97-5,CCN(CCCl)CCCNc1c2ccccc2nc3ccccc13,mutagenic
35281-32-4,C1Cc2cc3cccc4ccc5cc6cccc1c6c2c5c34,mutagenic
33757-42-5,CC(=O)Nc1cccc2cccnc12,mutagenic
106532-71-2,[O-][N+](=O)c1ccc2N(S\C(=N/C(=O)c3ccccc3)\c2c1)C(=O)c4ccccc4,mutagenic
612-25-9,OCc1ccccc1[N+](=O)[O-],non-mutagenic
146683-80-9,Cc1cccc2C3OC3c4cc5ccccc5cc4c12,mutagenic
NOCAS_M58,COC(=O)[C@]12O[C@@]1(C)[C@@H](OC2=O)C(C)C,mutagenic
62641-69-4,Cc1c2ccccc2cc3c4[C@H](O)[C@H](O)C=Cc4ccc13,mutagenic
146795-30-4,Cc1cccc(NC(=O)c2csc(c2)[N+](=O)[O-])c1,mutagenic
NOCAS_M161,Cc1ccccc1OC[C@H]2CO2,mutagenic
114-26-1,CNC(=O)Oc1ccccc1OC(C)C,mutagenic
96196-27-9,Cc1cc(N)ccc1c2ccc(N)cc2C,mutagenic
134-09-8,CC(C)C1CCC(C)CC1OC(=O)c2ccccc2N,non-mutagenic
668-17-7,CCC1(O)CC(OC2CC(C(O)C(C)O2)N(C)C)c3c(O)c4C(=O)c5c(O)ccc(O)c5C(=O)c4cc3C1C(=O)OC,mutagenic
78-79-5,CC(=C)C=C,non-mutagenic
98911-07-0,CC(=O)N(O)c1ccc(Oc2ccc(Cl)cc2)cc1,mutagenic
51481-10-8,CC1=CC2OC3C(O)CC(C)(C34CO4)C2(CO)C(O)C1=O,non-mutagenic
497-19-8,OC(=O)O,non-mutagenic
3811-49-2,COP1(=S)OCc2ccccc2O1,mutagenic
NOCAS_M325,C[C@@]12CC[C@H](C[C@@H]1O2)C=C,non-mutagenic
NOCAS_M352,C[C@H](CCl)OP(=O)(O[C@H](C)CCl)O[C@H](C)CCl,non-mutagenic
11041-12-6,CCC(C)c1cccc(c1)C(C)CC(CC)c2ccc(C[N+](C)(C)C)cc2,non-mutagenic
1874-23-3,COC(=O)c1oc(cc1)[N+](=O)[O-],mutagenic
133831-61-5,[O-][N+](=O)c1ccccc1SSC(=C(Cl)Cl)F,mutagenic
96-50-4,Nc1nccs1,mutagenic
84174-21-0,CN(Cc1ccc(F)cc1)N=O,mutagenic
87-61-6,Clc1cccc(Cl)c1Cl,non-mutagenic
1689-89-0,Oc1c(I)cc(cc1[N+](=O)[O-])C#N,non-mutagenic
122-99-6,OCCOc1ccccc1,non-mutagenic
94-11-1,CC(C)OC(=O)COc1ccc(Cl)cc1Cl,non-mutagenic
6789-88-4,CCCCCCOC(=O)c1ccccc1,non-mutagenic
42576-02-3,COC(=O)c1cc(Oc2ccc(Cl)cc2Cl)ccc1[N+](=O)[O-],mutagenic
609-20-1,Nc1cc(Cl)c(N)c(Cl)c1,mutagenic
6923-22-4,CNC(=O)\C=C(/C)\OP(=O)(OC)OC,mutagenic
NOCAS_M446,COC(=C1[C@H](C(=C(C)N=C1C)C(=O)OC\C=C\c2ccccc2)c3cccc(c3)[N+](=O)[O-])O,non-mutagenic
99520-59-9,Oc1ccc2c(c1)c3ccc4ccc5cccc6cc2c3c4c56,mutagenic
481-42-5,CC1=CC(=O)c2c(O)cccc2C1=O,mutagenic
638-07-3,CCOC(=O)CC(=O)CCl,non-mutagenic
67-72-1,ClC(Cl)(Cl)C(Cl)(Cl)Cl,non-mutagenic
13301-61-6,CCN(CCC#N)c1ccc(cc1)N=Nc2c(Cl)cc(cc2Cl)[N+](=O)[O-],mutagenic
3048-64-4,C=CC1CC2CC1C=C2,non-mutagenic
135-20-6,ON(N=O)c1ccccc1,mutagenic
107-68-6,CNCCS(=O)(=O)O,non-mutagenic
156-43-4,CCOc1ccc(N)cc1,mutagenic
NOCAS_M43,C(Oc1ccc2sncc2c1)[C@H]3CO3,mutagenic
NOCAS_M29,CCN(CC)CCC[C@@H](C)Nc1ccnc2cc(Cl)ccc12,mutagenic
73819-63-3,NC(=N)c1ccc2cc([nH]c2c1)C(=N)N,non-mutagenic
NOCAS_M421,C[C@@H](O)c1ccccc1,non-mutagenic
NOCAS_M258,CCc1cc(O)cc2c3CCO[C@@](CC)(CC(=O)O)c3[nH]c12,mutagenic
9000-30-0,CCC1OC(CO)C(COCC2OC(COC3OC(CO)C(O)C(O)C3O)C(OC)C(O)C2O)C(O)C1O,non-mutagenic
530-62-1,O=C(n1ccnc1)n2ccnc2,non-mutagenic
557-30-2,O\N=C\C=N\O,non-mutagenic
5418-93-9,Nc1nc2cc(Cl)ccc2[nH]1,non-mutagenic
7226-23-5,CN1CCCN(C)C1=O,non-mutagenic
135325-62-1,BrCc1ccc2cccc3c4ccccc4c1c23,mutagenic
106532-74-5,[O-][N+](=O)c1ccc2N(S\C(=N/C(=O)c3ccc(Cl)cc3)\c2c1)C(=O)c4ccc(Cl)cc4,mutagenic
51856-71-4,Cc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])N=[N+]([O-])c2cc(c(C)c(c2)[N+](=O)[O-])[N+](=O)[O-],mutagenic
86334-96-5,CC(N(CC1(O)CCC(O)C(O)C1O)N=O)C(=O)O,non-mutagenic
111-90-0,CCOCCOCCO,non-mutagenic
156-10-5,O=Nc1ccc(Nc2ccccc2)cc1,mutagenic
1466-88-2,[O-][N+](=O)c1ccccc1\C=C\C=O,mutagenic
42583-46-0,COc1cc2OC3OC4OC4C3c2c5OC(=O)C6=C(CCC6=O)c15,mutagenic
3328-25-4,CC(C)CCCC(C)C1CCC2C3C=CC4(CC(O)CCC4(C)C3CCC12C)OO,mutagenic
5464-79-9,COc1cccc2sc(N)nc12,mutagenic
2402-78-0,Clc1cccc(Cl)n1,non-mutagenic
78-81-9,CC(C)CN,non-mutagenic
63041-77-0,Cc1cccc2c1cc3ccc4cccc5ccc2c3c45,mutagenic
5306-96-7,Cc1c(C)c(N)ccc1N,non-mutagenic
80440-44-4,O=C1c2cccc3cccc(c4ccc5ccccc5c14)c23,non-mutagenic
633-65-8,COc1ccc2cc3c4cc5OCOc5cc4CC[n+]3cc2c1OC,non-mutagenic
1147-55-3,CC(=O)Nc1ccc2c(Cc3cccc(O)c23)c1,mutagenic
94-74-6,Cc1cc(Cl)ccc1OCC(=O)O,non-mutagenic
17024-17-8,[O-][N+](=O)c1cccc2c1ccc3ccccc23,mutagenic
96-18-4,ClCC(Cl)CCl,mutagenic
148021-80-1,OC1C=Cc2c(ccc3c4CCC(=O)c4ccc23)C1O,mutagenic
4651-67-6,CC(CCC(=O)O)C1CCC2C3C(CCC12C)C4(C)CCC(O)CC4CC3=O,non-mutagenic
2243-78-9,Nc1ccc(cc1)c2ccc(N)cc2[N+](=O)[O-],mutagenic
142762-84-3,COC(=O)C1CSC2N1C(=O)C(=C2Cl)Cl,mutagenic
58957-92-9,CC1OC(CC(N)C1O)OC2CC(O)(Cc3c(O)c4C(=O)c5ccccc5C(=O)c4c(O)c23)C(=O)C,mutagenic
448-19-1,COc1cc(F)ccc1[N+](=O)[O-],mutagenic
29700-20-7,OCc1oc(cc1)c2[nH]ccc3c4ccccc4nc23,mutagenic
131119-02-3,Cn1c2ccccc2c3nn[n+]([O-])c(C(=O)OCCCl)c13,mutagenic
179073-71-3,Cc1ccc2cc3c(ccc4ccccc34)c5C(Cc1c25)OS(=O)(=O)O,mutagenic
174794-16-2,CCC(=O)OCc1cccc(c1)[N+](=O)[O-],non-mutagenic
578-68-7,Nc1ccnc2ccccc12,non-mutagenic
13394-86-0,Cc1ccccc1c2ccc(N)c(C)c2,mutagenic
64-02-8,OC(=O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O,non-mutagenic
89873-24-5,N#N=Nc1ccc(Nc2c3ccccc3nc4ccccc24)cc1,mutagenic
39081-15-7,Oc1cccc2cc3c4ccccc4c5ccccc5c3cc12,mutagenic
915-67-3,Oc1c(N=Nc2ccc(c3ccccc23)S(=O)(=O)O)c4ccc(cc4cc1S(=O)(=O)O)S(=O)(=O)O,non-mutagenic
131-53-3,COc1ccc(C(=O)c2ccccc2O)c(O)c1,mutagenic
4130-42-1,CCc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C,non-mutagenic
157730-35-3,Cn1c(N)nc2nc3cnccc3cc12,mutagenic
16533-72-5,OC(=O)C1OC1C(=O)O,non-mutagenic
96-45-7,S=C1NCCN1,mutagenic
3096-62-6,Cc1cccc(NO)c1C,mutagenic
95-95-4,Oc1cc(Cl)c(Cl)cc1Cl,non-mutagenic
58917-91-2,OC1=c2c(O)cc3cccc4ccc(c2c34)C56CCCCC15O6,mutagenic
112575-92-5,O[C@H]1C=C2c3cc4ccccc4cc3c5cccc([C@@H]1O)c25,mutagenic
521-61-9,COc1cc(O)c2C(=O)c3c(O)cc(C)cc3C(=O)c2c1,mutagenic
482-44-0,CC(=CCOc1c2OC(=O)C=Cc2cc3ccoc13)C,mutagenic
88-17-5,Nc1ccccc1C(F)(F)F,non-mutagenic
115664-58-9,Oc1ccc2c(c1)c3cccc4c(ccc2c34)[N+](=O)[O-],mutagenic
99520-66-8,Oc1cc2ccc3c4ccccc4c5cc6cccc1c6c2c35,non-mutagenic
69527-46-4,[O-][N+](=O)c1oc(C=C(C#N)C#N)cc1,mutagenic
313-67-7,COc1cccc2c1cc(c3c(cc4OCOc4c23)C(=O)O)[N+](=O)[O-],mutagenic
148174-23-6,ClCCC(=O)\N=C\1/SN(C(=O)CCCl)c2ccccc12,non-mutagenic
5329-15-7,COc1cc(N)ccc1NC(=O)C,mutagenic
6309-46-2,CC(=O)Oc1ccc(CO)cc1,non-mutagenic
NOCAS_M66,OC[C@@H](O)CN=[N+]=[N-],mutagenic
28434-86-8,Nc1ccc(Oc2ccc(N)c(Cl)c2)cc1Cl,mutagenic
17796-82-6,O=C1N(SC2CCCCC2)C(=O)c3ccccc13,non-mutagenic
62826-28-2,COc1ccccc1CC2CO2,mutagenic
146177-64-2,Cc1cc2c(nc(N)n2C)c3nc(cnc13)c4ccccc4,mutagenic
101-70-2,COc1ccc(Nc2ccc(OC)cc2)cc1,non-mutagenic
55621-29-9,CCCCN(C[C@H](O)CC)N=O,mutagenic
18409-46-6,O=C\C=C\C=C\C=O,mutagenic
160543-15-7,Cc1ccc2nc3c4C=CC(O)C(O)c4ccc3c(CO)c2c1,mutagenic
108-99-6,Cc1cccnc1,non-mutagenic
100-37-8,CCN(CC)CCO,non-mutagenic
100593-23-5,[O-][N+](=O)c1ccc2ccc3ccc(N=O)c4ccc1c2c34,mutagenic
14090-00-7,COc1c(C)c(N)c(C)cc1N,non-mutagenic
NOCAS_M208,OC[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)[C@H]1SCCN1N=O,mutagenic
143603-79-6,CCOC(=O)c1[nH]c2ccccc2c1\N=C\c3ccc(NC(=O)C)cc3,mutagenic
106532-78-9,[O-][N+](=O)c1ccc(cc1)C(=O)\N=C\2/SN(C(=O)c3ccc(cc3)[N+](=O)[O-])c4ccc(cc24)[N+](=O)[O-],mutagenic
500-66-3,CCCCCc1cc(O)cc(O)c1,non-mutagenic
10161-33-8,CC12C=CC3=C4CCC(=O)C=C4CCC3C1CCC2O,non-mutagenic
24225-71-6,CC(=O)N(Nc1ccc2c(Cc3ccccc23)c1)c4ccc5c(Cc6ccccc56)c4,mutagenic
389104-55-6,CC(C)(C)c1c(N)ccc2ccccc12,non-mutagenic
75776-00-0,CNc1ccc(Nc2c3ccccc3nc4ccccc24)cc1,mutagenic
1629-58-9,CCC(=O)C=C,mutagenic
97509-27-8,O[C@@H]1C=Cc2c(cc3ccccc3c2[N+](=O)[O-])[C@H]1O,mutagenic
1679-02-3,Cc1ccc2ccc3c4ccc5c(C)cccc5c4ccc3c2c1,non-mutagenic
372-47-4,Fc1cccnc1,non-mutagenic
144651-75-2,OC(=O)C1Cc2c([nH]c3ccccc23)C(Cc4ccccc4O)N1,non-mutagenic
593-56-6,CON,non-mutagenic
104-87-0,Cc1ccc(C=O)cc1,non-mutagenic
132059-52-0,OC1OC(=O)C(=C1C(Br)Br)Cl,mutagenic
456-27-9,[O-][N+](=O)c1ccc(cc1)[N+]#N,mutagenic
7470-44-2,C([C@@H]1CO1)c2ccc3OCOc3c2,mutagenic
518-83-2,Oc1cc(O)c2C(=O)c3ccccc3C(=O)c2c1,mutagenic
1122-54-9,CC(=O)c1ccncc1,non-mutagenic
81924-79-0,CCN(CC)c1cc(NC(=O)C)c(cc1OC)N=Nc2ccc(cc2)[N+](=O)[O-],mutagenic
35282-72-5,CN(C)c1ccc(cc1)N=Nc2cccc(CCl)c2,mutagenic
80984-66-3,N1C2C1c3cccc4C5NC5c6cccc2c6c34,mutagenic
17413-38-6,COc1cc(O)cc2c1cc(c3c(cc4OCOc4c23)C(=O)O)[N+](=O)[O-],non-mutagenic
39115-11-2,OC[C@H]1O[C@@H](Oc2ccc(O)c3C(=O)c4ccccc4C(=O)c23)[C@H](O)[C@@H](O)[C@@H]1O,mutagenic
75-38-7,FC(=C)F,mutagenic
67-20-9,[O-][N+](=O)c1oc(\C=N\N2CC(=O)NC2=O)cc1,mutagenic
114-83-0,CC(=O)NNc1ccccc1,mutagenic
2876-22-4,Nc1cccc2nc3ccccc3nc12,mutagenic
749-49-5,COc1ccc2nccc(C(OC(=O)C(C)O)C3CC4CCN3CC4C=C)c2c1,non-mutagenic
142438-64-0,CCC1=C(C(=O)OC)C(=O)OC1C,mutagenic
635-27-8,Clc1cccc2ncccc12,mutagenic
NOCAS_M230,C[C@@H](O)CN(CC(=O)C)N=O,mutagenic
362-74-3,CCCC(=O)Nc1ncnc2c1ncn2C3OC4COP(=O)(O)OC4C3OC(=O)CCC,non-mutagenic
3074-00-8,O=C1c2cccc3ccc4ccc5cccc1c5c4c23,non-mutagenic
108-44-1,Cc1cccc(N)c1,non-mutagenic
60129-67-1,OCCN(CCO)c1ccc(cc1)N=Nc2ccc(cc2[N+](=O)[O-])[N+](=O)[O-],mutagenic
16813-36-8,O=NN1CCC(=O)NC1=O,mutagenic
86853-93-2,O=C1c2ccccc2c3c1ccc4ccc5ccccc5c34,non-mutagenic
423-39-2,FC(F)(F)C(F)(F)C(F)(F)C(F)(F)I,non-mutagenic
40911-07-7,CCCCN(CC[C@@H](C)O)N=O,mutagenic
613-12-7,Cc1ccc2cc3ccccc3cc2c1,mutagenic
112965-21-6,CC(\C=C\C(O)C1CC1)C2CCC3\C(=C\C=C\4/CC(O)CC(O)C4=C)\CCCC23C,non-mutagenic
121-89-1,CC(=O)c1cccc(c1)[N+](=O)[O-],mutagenic
124-70-9,C[Si](Cl)(Cl)C=C,mutagenic
546-80-5,CC(C)[C@@]12C[C@@H]1[C@H](C)C(=O)C2,non-mutagenic
71339-55-4,Cc1c2ccccc2c(CO)c3ccccc13,mutagenic
36504-68-4,C1Cc2cc3ccc4cccc5ccc(c2[C@@H]6O[C@H]16)c3c45,mutagenic
610-48-0,Cc1cccc2cc3ccccc3cc12,non-mutagenic
3958-60-9,[O-][N+](=O)c1ccccc1CBr,non-mutagenic
116911-14-9,OCC(O)C(N=N#N)c1ccccc1,mutagenic
60-29-7,CCOCC,non-mutagenic
614-48-2,[O-][N+](=O)c1cccc(\C=C\C(=O)c2ccccc2)c1,non-mutagenic
4261-16-9,Nc1c2ncn(Cc3ccccc3)c2nc[n+]1[O-],mutagenic
933-88-0,Cc1ccccc1C(=O)Cl,mutagenic
64811-02-5,OS(=O)(=O)Oc1c2ccccc2c3ccc4cccc5ccc1c3c45,non-mutagenic
NOCAS_M10,CCOc1ccc2nc3cc(N)ccc3c(N)c2c1,mutagenic
244775-76-6,CCCON(OC(=O)C)C(=O)c1ccccc1,mutagenic
1034-41-9,OC1C2(Cl)C3(Cl)C4(Cl)C(Cl)(Cl)C5(Cl)C(Cl)(C1(Cl)C35Cl)C24Cl,non-mutagenic
98-86-2,CC(=O)c1ccccc1,non-mutagenic
52171-93-4,CC1=CCCc2c1cc(C)c3c2ccc4ccccc34,mutagenic
116355-83-0,CCCCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O)C(CC(C)CC(O)CCCCC(O)CC(O)C(C)N)OC(=O)CC(CC(=O)O)C(=O)O,non-mutagenic
336629-39-1,CCCOc1cc(c(OC)cc1N\N=C(/C(=O)C)\C(=O)Nc2ccc(cc2)[N+](=O)[O-])c3cc(OCCC)c(N\N=C(/C(=O)C)\C(=O)Nc4ccc(cc4)[N+](=O)[O-])cc3OC,mutagenic
56438-59-6,COc1ccc(CCC2CO2)cc1,mutagenic
4337-51-3,[O-][N+](=O)c1ccc2C(=O)NSc2c1,mutagenic
59-92-7,N[C@H](Cc1ccc(O)c(O)c1)C(=O)O,mutagenic
2634-33-5,Oc1nsc2ccccc12,non-mutagenic
523-50-2,O=C1Oc2c(C=C1)ccc3occc23,non-mutagenic
491-80-5,COc1ccc(cc1)C2=COc3cc(O)cc(O)c3C2=O,non-mutagenic
1503-91-9,CC(=O)N(O)c1ccc(Cl)cc1,non-mutagenic
17177-50-3,OCC(O)C1CO1,mutagenic
123-31-9,Oc1ccc(O)cc1,non-mutagenic
98114-60-4,CCN=NO,mutagenic
63358-49-6,CNC(=O)CC(N)C(=O)NC(C(=O)NC1C2SC(C)(C)C(N2C1=O)C(=O)O)c3ccc(O)cc3,non-mutagenic
55022-75-8,O1C2C1C3N=NC2C4OC34,non-mutagenic
26541-56-0,CC(=O)ON(C(=O)C)c1ccc(cc1)c2ccccc2,mutagenic
27729-98-2,Fc1ccc(cc1)C2OC2C(=O)c3ccccc3,non-mutagenic
103-84-4,CC(=O)Nc1ccccc1,non-mutagenic
102-81-8,CCCCN(CCO)CCCC,non-mutagenic
99523-86-1,Cc1ccc2nsc(N)c2c1,mutagenic
102408-25-3,Cn1c(N)nc2ccc3ncccc3c12,mutagenic
520-18-3,OC1=C(Oc2cc(O)cc(O)c2C1=O)c3ccc(O)cc3,mutagenic
NOCAS_M401,Oc1cccc2OC(=O)C(=Cc12)[C@@H]3CCc4ccccc4C3,non-mutagenic
484-20-8,COc1c2C=CC(=O)Oc2cc3occc13,mutagenic
13345-26-1,Oc1ccc2c(c1)cc3ccc4cccc5ccc2c3c45,mutagenic
66452-61-7,CC(C)Sc1cc(Cc2ccc(N)c(SC(C)C)c2)ccc1N,mutagenic
75-25-2,BrC(Br)Br,mutagenic
54-21-7,OC(=O)c1ccccc1O,non-mutagenic
13256-32-1,CNC(=O)N(C)N=O,mutagenic
90098-04-7,OC(=O)C(Cc1cc(O)nc2ccccc12)NC(=O)c3ccc(Cl)cc3,non-mutagenic
71807-56-2,Cc1[nH]cnc1CSCCN=C(NCC#C)NC#N,non-mutagenic
NOCAS_M152,CC(C)(COC[C@H]1CO1)COC[C@H]2CO2,mutagenic
102-06-7,N=C(Nc1ccccc1)Nc2ccccc2,mutagenic
5405-41-4,CCOC(=O)CC(C)O,non-mutagenic
38915-40-1,CCCCOc1ccc2nc3cc(Cl)ccc3c(NCCCN(CC)CCCl)c2n1,mutagenic
135626-95-8,CC1(CC(O)C2(C)C(CCC3C4(C)CCCC23OC4=O)C1)C=C,non-mutagenic
129018-59-3,Cn1c(nc2ncc(cc12)c3ccccc3)[N+](=O)[O-],mutagenic
475-38-7,Oc1ccc(O)c2C(=O)C=CC(=O)c12,mutagenic
106532-67-6,CC(C)CC(=O)\N=C\1/SN(C(=O)CC(C)C)c2ccc(cc12)[N+](=O)[O-],mutagenic
19202-92-7,C[C@@H]1C[C@H]2OC(=O)[C@]3(C)[C@H]2[C@@H](O[C@]3(C)O)[C@]4(C)[C@H]1C=CC4=O,non-mutagenic
13379-35-6,COc1ccc2Oc3cc(OC)cc(O)c3C(=O)c2c1,mutagenic
94764-55-3,[O-][N+](=O)c1ccc2c(c1)sc3ccccc23,mutagenic
298-18-0,C1O[C@H]1[C@H]2CO2,mutagenic
33424-05-4,C1O[C@@H]1c2cc3ccccc3c4ccccc24,mutagenic
67450-45-7,CCC(=O)N(C1CCCC1N(C)C)c2ccc(Cl)c(Cl)c2,non-mutagenic
149396-90-7,Cc1cc(C(O)c2ncc([N+](=O)[O-])n2C)c(O)c(c1)C(C)(C)C,non-mutagenic
437-50-3,COc1cc(O)c2C(=O)c3cc(O)ccc3Oc2c1,mutagenic
112-80-1,CCCCCCCC\C=C\CCCCCCCC(=O)O,non-mutagenic
34041-03-7,CN(C)C(=S)SNCCNSC(=S)N(C)C,mutagenic
97-41-6,CCOC(=O)C1C(C=C(C)C)C1(C)C,non-mutagenic
41830-80-2,Nc1ccc2N=C3C(=CC(=N)c4ccccc34)Oc2c1,mutagenic
129129-64-2,CN1C=CN(CCC[n+]2ccc(cc2)C(=O)N)C1\C=N\O,non-mutagenic
148193-37-7,Nc1ccc2C(=O)NSc2c1,non-mutagenic
104775-36-2,CNC(=O)c1cccc(NCC(=O)NCCc2ccc(OC)c(OC)c2)c1,non-mutagenic
107-16-4,OCC#N,non-mutagenic
6264-66-0,Nc1ccc(Oc2ccc(N)c(N)c2)cc1,mutagenic
34592-47-7,OC(=O)[C@@H]1CSCN1,non-mutagenic
7251-61-8,Cc1cnc2ccccc2n1,non-mutagenic
2068-78-2,CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C2)(C(=O)OC)c5cc6c(cc5OC)N(C=O)C7C(O)(C(OC(=O)C)C8(CC)C=CCN9CCC67C89)C(=O)OC)C1,non-mutagenic
160543-06-6,Cc1ccc2c(CO)c3ccc4ccccc4c3nc2c1,non-mutagenic
90-19-7,COc1cc(O)c2C(=O)C(=C(Oc2c1)c3ccc(O)c(O)c3)O,mutagenic
88193-04-8,Cc1cc2[nH]c3cc(C)c4ccccc4c3c2c5ccccc15,mutagenic
10353-53-4,C=CCCC1CO1,mutagenic
5836-85-1,COc1cc2C(=O)CCc2c3ccc4ccccc4c13,mutagenic
97-99-4,OCC1CCCO1,non-mutagenic
210245-96-8,CN(C)c1ccc(cc1)N=Nc2ccc(OC3OC(CO)C(O)C(O)C3O)cc2,non-mutagenic
92382-74-6,CCN(CC)[N+](=NO)[O-],mutagenic
98096-09-4,Cc1ccc2C(=O)c3cccc4ccc1c2c34,mutagenic
146818-20-4,CCc1ccc(NC(=O)c2csc(c2)[N+](=O)[O-])cc1,mutagenic
31120-85-1,CCOP(=O)(NC(C)C)Oc1ccccc1C(=O)OC(C)C,mutagenic
642-83-1,CC(=O)OC1C2OC(=O)C(OC(=O)C)C2OC1=O,non-mutagenic
128753-93-5,CC12OOC1(CO)Oc3ccccc23,non-mutagenic
1193-54-0,ClC1=C(Cl)C(=O)NC1=O,mutagenic
501-92-8,Oc1ccc(CC=C)cc1,non-mutagenic
140-88-5,CCOC(=O)C=C,non-mutagenic
NOCAS_M9,ClC[C@H](Br)CBr,mutagenic
2431-96-1,CCN(CC)C(=O)Cc1ccccc1,non-mutagenic
88-96-0,NC(=O)c1ccccc1C(=O)N,non-mutagenic
107-21-1,OCCO,non-mutagenic
106636-46-8,Cc1cn2c(N=O)c(nc2s1)c3ccc(cc3)[N+](=O)[O-],mutagenic
158366-46-2,CC(=O)c1c(cc([N+](=O)[O-])n1[N+](=O)[O-])[N+](=O)[O-],mutagenic
145241-76-5,Fc1ccc2cccnc2c1F,mutagenic
51357-79-0,Nc1snc2ccc(Cl)cc12,mutagenic
113058-39-2,Oc1cccc2c3cc4ccccc4cc3c5ccccc5c12,mutagenic
71-33-0,O=C1NC=NC(=O)N1,non-mutagenic
125369-84-8,[O-][N+](=O)c1ccccc1\C=C\C=C(/C#N)\c2ccc(Br)cc2,mutagenic
99-04-7,Cc1cccc(c1)C(=O)O,non-mutagenic
2883-98-9,COc1cc(OC)c(\C=C\C)cc1OC,mutagenic
1875-48-5,NN1C(=O)c2ccccc2C1=O,non-mutagenic
655-86-7,Nc1cc2nc3ccccc3nc2cc1N,mutagenic
149862-57-7,CC(C)CCNc1snc2ccccc12,non-mutagenic
3416-21-5,Cc1ccc2cc3c4ccccc4C5OC5c3c6CCc1c26,mutagenic
2458-12-0,Cc1ccc(cc1N)C(=O)O,mutagenic
15562-42-2,COc1ccc2C(=O)c3nccc4cc(OC)c(OC)c(c2c1)c34,non-mutagenic
62018-91-1,CCCCN(C[C@H](O)CCO)N=O,mutagenic
143922-96-7,Cc1c(N)cccc1N=[N+]([O-])c2cccc(N)c2C,mutagenic
114838-69-6,CC(=O)O[C@@H]1[C@]2(C)C[C@]2(C=O)C(=C3CC(C)(C)C[C@]13O)C=O,mutagenic
24903-48-8,c1ccc2c(c1)ccc3cc4c(ccc5ccncc45)cc23,mutagenic
102-50-1,COc1ccc(N)c(C)c1,mutagenic
6313-44-6,[O-][N+](=O)C1c2ccccc2C(=O)c3ccccc13,non-mutagenic
58917-67-2,OC1C2OC2c3c(cc4ccc5cccc6ccc3c4c56)C1O,mutagenic
693-98-1,Cc1ncc[nH]1,non-mutagenic
76150-91-9,Clc1cnc(Oc2ccc(Oc3ncc(Cl)cc3Cl)cc2)c(Cl)c1,non-mutagenic
13256-06-9,CCCCCN(CCCCC)N=O,mutagenic
42397-64-8,[O-][N+](=O)c1ccc2ccc3c(ccc4ccc1c2c34)[N+](=O)[O-],mutagenic
21259-20-1,CC(C)CC(=O)OC1CC2(COC(=O)C)C(OC3C(O)C(OC(=O)C)C2(C)C34CO4)C=C1C,mutagenic
112-52-7,CCCCCCCCCCCCCl,non-mutagenic
131119-01-2,Cn1c(CC(=O)OCCCl)c(C(=O)O)c2ccccc12,mutagenic
1028-11-1,[O-][N+](=O)c1ccc(cc1)S(=O)(=O)Nc2ccccn2,non-mutagenic
32692-19-6,[O-][N+](=O)c1ccc2NCCc2c1,mutagenic
81-55-0,Oc1ccc(c2C(=O)c3c(C(=O)c12)c(O)ccc3[N+](=O)[O-])[N+](=O)[O-],mutagenic
482-89-3,Oc1c([nH]c2ccccc12)C3=Nc4ccccc4C3=O,mutagenic
59283-76-0,Cc1c(NO)cc(cc1[N+](=O)[O-])[N+](=O)[O-],mutagenic
930-68-7,O=C1CCCC=C1,non-mutagenic
67028-20-0,Cc1cccc2cc3ccc4ccccc4c3nc12,non-mutagenic
555-84-0,[O-][N+](=O)c1oc(\C=N\N2CCNC2=O)cc1,mutagenic
13909-09-6,CC1CCC(CC1)NC(=O)N(CCCl)N=O,mutagenic
147151-64-2,CC12CCC3C(CCC4=CC(=O)NCCC34C)C1CCC2OC(=O)\C=C\c5cccc(c5)N(CCCl)CCCl,non-mutagenic
159416-83-8,COc1cc(C)cc2c(O)c(cc(O)c12)c3c(C)cc4c(O)ccc(O)c4c3OC,non-mutagenic
90597-22-1,NC1=NC(=O)N(C=C1)C2C=C(CO)C(O)C2O,non-mutagenic
21313-86-0,Nc1[nH]cnc2nc(nc12)c3ccc(cc3)[N+](=O)[O-],mutagenic
86334-97-6,OC1CCC(O)(CN(N=O)C(Cc2ccccc2)C(=O)O)C(O)C1O,non-mutagenic
58139-46-1,[O-][N+](=O)c1ccc(s1)c2csc(NC=O)n2,mutagenic
6344-63-4,Nc1cccc2c1Cc3ccccc23,mutagenic
106232-36-4,O=Nc1[nH]cnc1c2ccccc2,mutagenic
18883-66-4,CN(N=O)C(=O)NC1C(O)OC(CO)C(O)C1O,mutagenic
96563-07-4,CC1c2ccccc2c3cc(C)ccc13,mutagenic
597-25-1,COP(=O)(OC)N1CCOCC1,non-mutagenic
491-59-8,Cc1cc(O)c2c(O)c3c(O)cccc3cc2c1,mutagenic
105-87-3,CC(=CCC\C(=C/COC(=O)C)\C)C,non-mutagenic
136950-74-8,CC(=O)c1ccc2[nH]c3c(C)cc(c(C)c3c2c1)[N+](=O)[O-],mutagenic
91085-62-0,Cl\C=C(\Cl)/SCc1ccccc1,mutagenic
116-54-1,COC(=O)C(Cl)Cl,mutagenic
58683-84-4,COc1cc(ccc1[N+](=O)[O-])N=Nc2ccccc2,mutagenic
17804-35-2,CCCCNC(=O)n1c(NC(=O)OC)nc2ccccc12,non-mutagenic
1747-60-0,COc1ccc2nc(N)sc2c1,mutagenic
13743-07-2,NC(=O)N(CCO)N=O,mutagenic
129812-24-4,CC1=CC(=O)Oc2cc3OC4(C)OOC4(C)c3cc12,mutagenic
159092-73-6,[O-][N+](=O)c1ccc2c(cc3ccccc3c2c1)[N+](=O)[O-],mutagenic
476-71-1,COc1cc2CCN(C)C3Cc4cc5OCOc5cc4c(c1O)c23,non-mutagenic
67019-26-5,CCCCCCCC(=O)Nc1snc2ccccc12,non-mutagenic
101489-25-2,COc1ccc(O)c2C(=O)c3c(OC)cc4OC5OCCC5c4c3Oc12,non-mutagenic
106532-72-3,[O-][N+](=O)c1ccc2N(S\C(=N/C(=O)c3ccccc3Cl)\c2c1)C(=O)c4ccccc4Cl,mutagenic
75-91-2,CC(C)(C)OO,mutagenic
112654-68-9,ClC(=C1OC(=O)C(=C1)Cl)Cl,mutagenic
13109-99-4,[O-][N+](=O)c1cnc(s1)N2CCCC2=O,mutagenic
124489-20-9,Cn1c(NO)nc2ncc(cc12)c3ccccc3,mutagenic
63449-41-2,CCCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1,non-mutagenic
21884-44-6,Cc1cc(O)c2C(=C3C(=O)C4C(O)C5C6C(O)C(C(=O)C7=C(O)c8c(O)cc(C)c(O)c8C(=O)C467)C35C(=O)c2c1O)O,non-mutagenic
65267-04-1,NC(=O)CNC(=O)N(CCCl)N=O,mutagenic
279242-11-4,CC(C)(C)c1ccc(cc1)c2ccc(cc2)[N+](=O)[O-],non-mutagenic
3244-90-4,CCCOP(=S)(OCCC)OP(=S)(OCCC)OCCC,non-mutagenic
111249-52-6,Cc1cc(N)c(C)c2c3ccccc3[nH]c12,mutagenic
4196-87-6,CC(COC(=O)c1ccccc1)(COC(=O)c2ccccc2)COC(=O)c3ccccc3,non-mutagenic
129812-30-2,CC12OOC1(C)c3ccc4cccnc4c3O2,non-mutagenic
123-92-2,CC(C)CCOC(=O)C,non-mutagenic
NOCAS_M291,CCCCCCCCCCCCCCCCCC(=O)OCC1=CC=C2C(=CC[C@H](C=C12)C(=C)C)C,mutagenic
28342-33-8,COc1ccc2c3ccc4cc5OCOc5cc4c3N(C)C(=O)c2c1OC,mutagenic
220168-43-4,Cc1ccc(cc1)C(=O)ON(OCc2ccccc2)C(=O)c3ccccc3,mutagenic
1516-74-1,N#N=Nc1nc2ccccc2[nH]1,mutagenic
146-68-9,[O-][N+](=O)c1ccc(cc1)n2nc(n[n+]2c3ccc(I)cc3)c4ccccc4,non-mutagenic
873-76-7,OCc1ccc(Cl)cc1,non-mutagenic
127-47-9,CC(=O)OC\C=C(/C)\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C,non-mutagenic
70222-95-6,COc1cccc2C(=O)c3c(O)c4C(CC(O)(Cc4c(O)c3C(=O)c12)C(=O)CO)OC5CC(C(O)C(C)O5)N(C)C,mutagenic
107210-39-9,CN(C)CCCNc1c2ccccc2nc3c(ccc(c13)[N+](=O)[O-])N(CCOC(=O)C)CCOC(=O)C,mutagenic
6810-26-0,ONc1ccc(cc1)c2ccccc2,mutagenic
98-11-3,OS(=O)(=O)c1ccccc1,non-mutagenic
159092-80-5,[O-][N+](=O)c1ccc2c(c1)c(cc3cccc(c23)[N+](=O)[O-])[N+](=O)[O-],mutagenic
125369-76-8,Cc1ccc(cc1)\C(=C\C=C\c2ccccc2[N+](=O)[O-])\C#N,mutagenic
72492-12-7,CC(=O)c1ccc2OC3(CC3)C(=O)c2c1,non-mutagenic
97-42-7,CC(=O)O[C@H]1C[C@H](CC=C1C)C(=C)C,non-mutagenic
33175-34-7,ONc1ccc(Cl)c(Cl)c1,non-mutagenic
110-21-4,NC(=O)NNC(=O)N,non-mutagenic
55556-93-9,OC1CCN(CC1)N=O,mutagenic
83287-02-9,COc1ccc2c(c1)C(=O)c3c(OC)c(OC)cc4ccnc2c34,mutagenic
19622-55-0,Cn1c(ncc1[N+](=O)[O-])c2nnc(N)s2,mutagenic
67508-86-5,CN[C@H]1C[C@@H](O[C@H]2C[C@](O)(Cc3c(O)c4C(=O)c5cccc(OC)c5C(=O)c4c(O)c23)C(=O)C)O[C@@H](C)[C@@H]1O,mutagenic
7422-80-2,CCCCN(N)CCCC,non-mutagenic
3333-66-2,Cc1c(C)c2c(Cl)c3ccccc3nc2c4ccccc14,mutagenic
128-95-0,Nc1ccc(N)c2C(=O)c3ccccc3C(=O)c12,mutagenic
55965-84-9,CN1SC(=CC1=O)Cl,mutagenic
108-37-2,Clc1cccc(Br)c1,non-mutagenic
98-82-8,CC(C)c1ccccc1,non-mutagenic
79-06-1,NC(=O)C=C,non-mutagenic
121-17-5,[O-][N+](=O)c1cc(ccc1Cl)C(F)(F)F,non-mutagenic
5470-37-1,CC1NC(Cc2c1[nH]c3ccccc23)C(=O)O,non-mutagenic
120-75-2,Cc1nc2ccccc2s1,non-mutagenic
73870-33-4,O=NN1CCSC1,mutagenic
121625-60-3,CC12OC1C3CCCCC3c4ccccc24,non-mutagenic
83053-60-5,CCCCOc1cc2C(=O)CCc2c3ccc4ccccc4c13,non-mutagenic
111955-14-7,OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N(N=O)c2ccc(cc2)[N+](=O)[O-],mutagenic
7763-77-1,Cl[C@@H]1CO1,mutagenic
621-96-5,Nc1ccc(\C=C\c2ccc(N)cc2)cc1,mutagenic
6190-65-4,CC(C)Nc1nc(N)nc(Cl)n1,non-mutagenic
NOCAS_M182,CC[C@@H](C)COC(=O)\C=C\c1ccc(cc1)\N=C\c2ccc(OC)cc2,mutagenic
607-35-2,[O-][N+](=O)c1cccc2cccnc12,mutagenic
130536-38-8,OC1C=Cc2ncccc2C1O,non-mutagenic
91-62-3,Cc1ccc2ncccc2c1,mutagenic
185-70-6,C1CCC2(CC1)CO2,non-mutagenic
NOCAS_M224,C1CC[C@H]2O[C@H]2C1,mutagenic
108-67-8,Cc1cc(C)cc(C)c1,non-mutagenic
88-73-3,[O-][N+](=O)c1ccccc1Cl,mutagenic
2381-39-7,Cc1c2ccccc2c3ccc4cccc5ccc1c3c45,mutagenic
86-50-0,COP(=S)(OC)SCN1N=Nc2ccccc2C1=O,mutagenic
25081-31-6,OC(=O)CN(CC(=O)O)N=O,mutagenic
117929-15-4,[O-][N+](=O)c1cc2ccc3cc(cc4ccc(c1)c2c34)[N+](=O)[O-],mutagenic
72999-11-2,COC(=O)\C(=C\c1occc1)\[N+](=O)[O-],non-mutagenic
17433-31-7,CC(=O)NNC(=O)c1ccccn1,non-mutagenic
170660-63-6,ClC1C(=O)NC(=O)C1=C(Cl)Cl,mutagenic
77500-04-0,Cc1cnc2ccc3c(nc(N)n3C)c2n1,mutagenic
163275-67-0,Fc1cccc2ccc3ncccc3c12,mutagenic
52744-22-6,CC(=O)C1(O)CC(O)c2c(O)c3C(=O)c4c(O)cccc4C(=O)c3c(O)c2C1,mutagenic
1069-55-2,CC(C)COC(=O)C(=C)C#N,non-mutagenic
619-90-9,CC(=O)OCc1ccc(cc1)[N+](=O)[O-],mutagenic
NOCAS_M338,CC(=O)O[C@H]1[C@H](O)[C@@H]2O[C@H]3C=C(C)C(=O)[C@H](O)[C@@]3(CO)[C@@]1(C)[C@@]24CO4,non-mutagenic
105427-03-0,O=C(Nc1ccccc1)C2CO2,mutagenic
523-47-7,CC1=CC[C@H]2[C@H](C1)[C@H](CC=C2C)C(C)(C)C,non-mutagenic
NOCAS_M126,COC(=O)[C@]12O[C@@]1(C)[C@@](C)(O)NC2=O,mutagenic
20589-63-3,[O-][N+](=O)c1ccc2c3cccc4cccc(c5cccc1c25)c34,mutagenic
446-86-6,Cn1cnc(c1Sc2[nH]cnc3ncnc23)[N+](=O)[O-],mutagenic
16665-89-7,CCc1cccc(CC)c1NC(=O)C,non-mutagenic
NOCAS_M372,NC1=NC(=O)N(C=C1)[C@H]2O[C@@H](COP(=O)(O)O)[C@H](O)[C@H]2O,non-mutagenic
14953-62-9,[O-][N+](=O)c1[nH]cnc1c2ccccc2,mutagenic
106-27-4,CCCC(=O)OCCC(C)C,non-mutagenic
493-52-7,CN(C)c1ccc(cc1)N=Nc2ccccc2C(=O)O,mutagenic
885-62-1,OS(=O)(=O)c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],non-mutagenic
110690-43-2,CCOCN1C=C(F)C(=O)N(C(=O)c2cccc(c2)C(=O)Oc3nc(OC(=O)c4ccccc4)ccc3C#N)C1=O,non-mutagenic
3787-28-8,ClC(=C(Cl)C=O)Cl,mutagenic
928-73-4,NC(=O)N\N=C\C(=O)O,non-mutagenic
163275-65-8,Fc1cnc2ccc3ccccc3c2c1,mutagenic
50-84-0,OC(=O)c1ccc(Cl)cc1Cl,non-mutagenic
304-28-9,CC(=O)Nc1ccc2c(Cc3cc(NC(=O)C)ccc23)c1,mutagenic
97747-88-1,CN(C)c1ccc(cc1)C2CC3(C)C(CCC3(O)\C=C\CO)C4CCC5=CC(=O)CCC5=C24,non-mutagenic
95896-78-9,Cc1cnc2cc(C)c3c(nc(N)n3C)c2n1,mutagenic
2752-54-7,CC(C)CC(NC(=O)COc1ccc(Cl)cc1Cl)C(=O)O,non-mutagenic
95-84-1,Cc1ccc(O)c(N)c1,mutagenic
125973-99-1,ClCC1=CC(=O)OC1,mutagenic
63390-11-4,Nc1ccc(cc1)c2cc(Cl)c(N)c(Cl)c2,mutagenic
54522-53-1,COC1(CCC(C)COC2OC(CO)C(O)C(O)C2O)OC3CC4C5CC=C6CC(CCC6(C)C5CCC4(C)C3C1C)OC7OC(CO)C(O)C(OC8OC(CO)C(O)C(O)C8O)C7OC9OC(C)C(O)C(O)C9O,non-mutagenic
2945-96-2,COc1cc(N=Nc2ccc(N)cc2)c(C)cc1N=Nc3c(O)c4cc(N)ccc4cc3S(=O)(=O)O,mutagenic
62681-13-4,CCOC(=O)N(CCOC(=O)C)N=O,mutagenic
3531-19-9,Nc1c(Cl)cc(cc1[N+](=O)[O-])[N+](=O)[O-],mutagenic
16757-83-8,Cc1cc2cc3ccccc3c4ccc5cccc1c5c24,mutagenic
94-70-2,CCOc1ccccc1N,non-mutagenic
33399-00-7,CCOP(=O)(OCC)O\C(=C/Br)\c1ccc(Cl)cc1Cl,non-mutagenic
10227-50-6,O=C1NCCN1c2nccs2,mutagenic
19083-00-2,CC1CCC2(OC1)OC3CC4C5CC=C6CC(CCC6(C)C5CCC4(C)C3C2C)OC7OC(CO)C(O)C(OC8OC(CO)C(O)C(O)C8O)C7OC9OC(C)C(O)C(O)C9O,non-mutagenic
134109-01-6,OC1C(O)c2c(Cl)c3ccccc3cc2c4ccccc14,non-mutagenic
91254-92-1,Oc1cc2cccc3ccc4ccc(c1c4c23)[N+](=O)[O-],mutagenic
60877-85-2,[O-][N+](=O)c1ccc(\C=N\c2snc3c(Cl)cc(Cl)cc23)cc1,mutagenic
96839-34-8,OCc1c(cccc1[N+](=O)[O-])[N+](=O)[O-],non-mutagenic
670-54-2,N#CC(=C(C#N)C#N)C#N,non-mutagenic
98079-51-7,CCN1C=C(C(=O)O)C(=O)c2cc(F)c(N3CCNC(C)C3)c(F)c12,mutagenic
87-44-5,C\C\1=C\CCC(=C)[C@@H]2CC(C)(C)[C@@H]2CC1,non-mutagenic
64283-13-2,OC1C(O)c2c3ccccc3cc4ccc5cccc1c5c24,mutagenic
8065-48-3,CCOP(=S)(OCC)OCCSCC,mutagenic
10114-58-6,Nc1ccc(N=Nc2cccc(c2)N=Nc3ccc(N)cc3N)c(N)c1,mutagenic
918-00-3,CC(=O)C(Cl)(Cl)Cl,mutagenic
96-69-5,Cc1cc(O)c(cc1Sc2cc(c(O)cc2C)C(C)(C)C)C(C)(C)C,non-mutagenic
525-03-1,NC1c2ccccc2c3ccccc13,non-mutagenic
822-36-6,Cc1c[nH]cn1,non-mutagenic
NOCAS_M398,CCCC[C@@H](CC)CN,non-mutagenic
NOCAS_M95,C([C@H]1CO1)c2ccc(Cc3ccccc3)cc2,mutagenic
58-94-6,NS(=O)(=O)c1cc2c(NC=NS2(=O)=O)cc1Cl,non-mutagenic
NOCAS_M255,O1[C@@H]2[C@H]1c3c(c4ccccc24)c5ccccc5c6ccccc36,mutagenic
79-92-5,CC1(C)[C@@H]2CC[C@@H](C2)C1=C,non-mutagenic
NOCAS_M289,CC(C)[C@@H]1CC[C@@H](C)CC1=O,mutagenic
36164-42-8,CC(=O)Nc1ccc2cccnc2c1,mutagenic
NOCAS_M92,O[C@@H]1Cc2cc3cccc4ccc5ccc1c2c5c34,mutagenic
NOCAS_M374,CC(C)CC[C@@H](C)Nc1ccc(N[C@H](C)CCC(C)C)cc1,non-mutagenic
91991-18-3,CC(=O)Nc1snc2ccc(Cl)cc12,mutagenic
51-36-5,OC(=O)c1cc(Cl)cc(Cl)c1,non-mutagenic
126-99-8,ClC(=C)C=C,non-mutagenic
70987-78-9,Cc1ccc(cc1)S(=O)(=O)OCC2CO2,mutagenic
514-78-3,C\C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)C(=O)CCC1(C)C)\C=C\C=C(/C)\C=C\C2=C(C)C(=O)CCC2(C)C,non-mutagenic
5679-89-0,Cc1ccc(cc1[N+](=O)[O-])N=[N+]([O-])c2ccc(C)c(c2)[N+](=O)[O-],non-mutagenic
53693-67-7,Nc1ccc(cc1)c2ccc(cc2)c3ccc(cc3)c4ccc(N)cc4,non-mutagenic
32784-82-0,CS(=O)(=O)OCCCNCCCOS(=O)(=O)C,mutagenic
64099-26-9,COc1nsc2ccc(cc12)[N+](=O)[O-],mutagenic
106-99-0,C=CC=C,mutagenic
610-39-9,Cc1ccc(c(c1)[N+](=O)[O-])[N+](=O)[O-],mutagenic
2873-97-4,CC(=O)CC(C)(C)NC(=O)C=C,non-mutagenic
2310-17-0,CCOP(=S)(OCC)SCN1C(=O)Oc2cc(Cl)ccc12,non-mutagenic
50782-69-9,CCOP(=O)(C)SCCN(C(C)C)C(C)C,non-mutagenic
142713-64-2,COc1cc(CNC(=O)C(C)Br)ccc1O,mutagenic
533-74-4,CN1CSC(=S)N(C)C1,mutagenic
5806-00-8,Cc1c(cccc1[N+](=O)[O-])N=[N+]([O-])c2cccc(c2C)[N+](=O)[O-],non-mutagenic
115-32-2,OC(c1ccc(Cl)cc1)(c2ccc(Cl)cc2)C(Cl)(Cl)Cl,non-mutagenic
16338-97-9,C=CCN(CC=C)N=O,mutagenic
459-56-3,OCc1ccc(F)cc1,non-mutagenic
2675-77-6,COc1cc(Cl)c(OC)cc1Cl,mutagenic
110-18-9,CN(C)CCN(C)C,non-mutagenic
4430-25-5,Oc1c(Br)cc(cc1Br)C2(OS(=O)(=O)c3c(Br)c(Br)c(Br)c(Br)c23)c4cc(Br)c(O)c(Br)c4,non-mutagenic
4801-39-2,NCC(=O)Nc1ccccc1,mutagenic
93673-37-1,O[C@H]1C=Cc2c(ccc3c4C=Cc5cccc(cc23)c45)[C@@H]1O,mutagenic
626-17-5,N#Cc1cccc(c1)C#N,non-mutagenic
101-84-8,O(c1ccccc1)c2ccccc2,non-mutagenic
6146-52-7,[O-][N+](=O)c1ccc2[nH]ccc2c1,mutagenic
66789-78-4,CC(C)CC(NC(=O)COc1cc(Cl)c(Cl)cc1Cl)C(=O)O,non-mutagenic
61841-39-2,Nc1ccc(cc1)c2ccc(N)c(c2)[N+](=O)[O-],mutagenic
91-08-7,Cc1c(cccc1N=C=O)N=C=O,mutagenic
24463-15-8,OCc1ccc2ccc3cccc4ccc1c2c34,mutagenic
86803-19-2,ClCc1cccc2cc3ccc4cccc5ccc(c12)c3c45,mutagenic
56-55-3,c1ccc2cc3c(ccc4ccccc34)cc2c1,mutagenic
159092-75-8,[O-][N+](=O)c1cccc2c(cc3ccccc3c12)[N+](=O)[O-],mutagenic
120404-27-5,OCCNc1ccc(cc1)N=Nc2ccc(cc2)N(CCO)CCO,non-mutagenic
1197-01-9,Cc1ccc(cc1)C(C)(C)O,non-mutagenic
7269-58-1,Nc1nc(NO)c2ncn(C3OC(CO)C(O)C3O)c2n1,mutagenic
138-42-1,OS(=O)(=O)c1ccc(cc1)[N+](=O)[O-],non-mutagenic
41372-08-1,CC(N)(Cc1ccc(O)c(O)c1)C(=O)O,non-mutagenic
6959-47-3,ClCc1ccccn1,mutagenic
93673-33-7,O1C2C1c3c4c2cccc4cc5ccc6ccccc6c35,mutagenic
122-57-6,CC(=O)\C=C/c1ccccc1,mutagenic
146795-33-7,CCc1ccccc1NC(=O)c2csc(c2)[N+](=O)[O-],mutagenic
1929-82-4,Clc1cccc(n1)C(Cl)(Cl)Cl,mutagenic
461-58-5,NC(=N)NC#N,mutagenic
108-01-0,CN(C)CCO,non-mutagenic
100690-33-3,CCCCCOc1ccc(cc1)N=O,mutagenic
39179-91-4,Cc1ccc(NCCCl)cc1,mutagenic
95-48-7,Cc1ccccc1O,non-mutagenic
111712-49-3,BrCC(Br)CCOP(=O)(OCCC(Br)CBr)OCCC(Br)CBr,non-mutagenic
132297-89-3,COc1ccc2nc3c(cc2c1)c4cccc5cccc3c45,mutagenic
545-06-2,ClC(Cl)(Cl)C#N,mutagenic
481-39-0,Oc1cccc2C(=O)C=CC(=O)c12,mutagenic
6623-66-1,[O-][N+](=O)c1ccc2OC(=O)c3ccccc3c2c1,mutagenic
150445-98-0,[O-][N+](=O)c1ccc2c(c1)nc(\C=N\OCc3ccccc3[N+](=O)[O-])n2Cc4ccc(Cl)cc4Cl,mutagenic
21490-63-1,C[C@@H]1O[C@@H]1C,mutagenic
148-82-3,N[C@H](Cc1ccc(cc1)N(CCCl)CCCl)C(=O)O,mutagenic
NOCAS_M190,C[C@@H](O)c1ccc2ccc3cccc4ccc1c2c34,mutagenic
51-21-8,Oc1ncc(F)c(O)n1,non-mutagenic
3343-64-4,CCCCSCCC(N)C(=O)O,non-mutagenic
82-28-0,Cc1ccc2C(=O)c3ccccc3C(=O)c2c1N,mutagenic
483-84-1,Oc1c(cc(c2ccc(cc12)S(=O)(=O)O)[N+](=O)[O-])[N+](=O)[O-],mutagenic
59804-37-4,CN1C(=C(O)c2sccc2S1(=O)=O)C(=O)Nc3ccccn3,non-mutagenic
3520-42-1,CCN(CC)c1ccc2C(=C3C=CC(=[N+](CC)CC)C=C3Oc2c1)c4ccc(cc4S(=O)(=O)O)S(=O)(=O)O,mutagenic
142438-72-0,CCC1(OC1(C(=O)N)C(=O)OC)C(C)O,non-mutagenic
80-08-0,Nc1ccc(cc1)S(=O)(=O)c2ccc(N)cc2,non-mutagenic
6633-40-5,Oc1ccc2c(Cc3cc(ccc23)[N+](=O)[O-])c1,mutagenic
6428-31-5,Nc1ccc(N=Nc2ccc(cc2)N=Nc3c(N)c4c(O)c(N=Nc5ccc(cc5)N=Nc6ccc(N)cc6N)c(cc4cc3S(=O)(=O)O)S(=O)(=O)O)c(N)c1,mutagenic
86674-50-2,OC1C(O)c2ccc(c3ccc4cccc1c4c23)[N+](=O)[O-],mutagenic
98033-26-2,Cc1nc2c(ccc3ccc4ccc(O)cc4c23)[nH]1,mutagenic
833-50-1,o1c(nc2ccccc12)c3ccccc3,non-mutagenic
139259-64-6,CC(C)ON(OC(=O)C)C(=O)c1ccccc1,mutagenic
127502-69-6,CC(C)c1cc(ccc1N)c2ccccc2,mutagenic
94500-54-6,ClCc1cc2cccc3ccc4cc5ccccc5c1c4c23,mutagenic
113698-22-9,COC1=CC(=O)c2c(nc(C)c3c4ccccc4[nH]c23)C1=O,mutagenic
86439-49-8,Nc1cc2[nH]c3ccccc3c2cc1[N+](=O)[O-],mutagenic
75-08-1,CCS,non-mutagenic
353-59-3,FC(F)(Cl)Br,non-mutagenic
622-79-7,N#N=NCc1ccccc1,mutagenic
1484-12-4,Cn1c2ccccc2c3ccccc13,mutagenic
13284-42-9,CC\C=C/C#N,non-mutagenic
134998-76-8,O=Nc1ccc2ccc3c4CCCCc4cc5ccc1c2c35,mutagenic
83-79-4,COc1cc2OC[C@@H]3Oc4c5C[C@H](Oc5ccc4C(=O)[C@H]3c2cc1OC)C(=C)C,non-mutagenic
135295-00-0,OCc1ccc2c3cccc4cccc(c2c1)c34,mutagenic
1119-40-0,COC(=O)CCCC(=O)OC,non-mutagenic
618-39-3,NC(=N)c1ccccc1,non-mutagenic
3546-41-6,CN(C)c1ccc2c(ccc(\C=C\c3cc(C)n(c3C)c4ccccc4)[n+]2C)c1,mutagenic
128-08-5,BrN1C(=O)CCC1=O,mutagenic
184582-67-0,CN1c2ccc3OCCOCCOCCOCCOCCOCCOc4ccc1c(c4)C(=S)c2c3,non-mutagenic
7433-46-7,CNC(=O)NO,non-mutagenic
3113-72-2,Cc1ccc(c(c1)C(=O)O)[N+](=O)[O-],mutagenic
NOCAS_M114,[O-][N+](=O)c1ccc(O[C@H]2CO2)cc1,mutagenic
107-35-7,NCCS(=O)(=O)O,non-mutagenic
88-21-1,Nc1ccccc1S(=O)(=O)O,mutagenic
19866-62-7,[O-][n+]1cc2ncccc2cn1,non-mutagenic
15299-08-8,Cc1ccc2c(c1)c3cc4ccccc4c5cc6ccccc6c2c35,mutagenic
2498-75-1,Cc1ccc2c(ccc3cc4ccccc4cc23)c1,mutagenic
57-14-7,CN(C)N,mutagenic
192-87-0,C1c2ccccc2c3c1ccc4ccc5ccccc5c34,non-mutagenic
119-65-3,c1ccc2cnccc2c1,non-mutagenic
22994-85-0,[O-][N+](=O)c1nccn1CC(=O)NCc2ccccc2,mutagenic
141-38-8,CCCCCCCCC1OC1CCCCCCCC(=O)OCC(CC)CCCC,non-mutagenic
121-47-1,Nc1cccc(c1)S(=O)(=O)O,non-mutagenic
75476-80-1,[O-][N+](=O)c1ccc2C=CCc2c1,mutagenic
18523-47-2,OC(=O)CCN=N#N,mutagenic
10169-02-5,Oc1ccc2ccccc2c1N=Nc3ccc(c4ccc(cc4S(=O)(=O)O)N=Nc5c(O)ccc6ccccc56)c(c3)S(=O)(=O)O,non-mutagenic
70951-83-6,OC1C(O)c2c(ccc3c2ccc4ccccc34)C5OC15,mutagenic
81542-82-7,CC(C)(C)NCC(O)COc1ccc(O)cc1C2CCCC2,non-mutagenic
25103-58-6,CCCCC(S)(CCC)CCCC,non-mutagenic
98-08-8,FC(F)(F)c1ccccc1,non-mutagenic
7779-16-0,Nc1ccccc1C(=O)OC2CCCCC2,non-mutagenic
95389-75-6,Cn1c(N=N#N)nc2ccc3ccccc3c12,mutagenic
14691-88-4,CC1(C)CC(N)CC(C)(C)N1O,mutagenic
6066-82-6,ON1C(=O)CCC1=O,non-mutagenic
141-97-9,CCOC(=O)CC(=O)C,non-mutagenic
124617-86-3,CC(=O)ON(OCc1ccccc1)C(=O)c2ccccc2,mutagenic
61691-83-6,COc1ccc([C@H](OC(=O)C)C=C)c2ccccc12,mutagenic
183249-37-8,C1C=Cc2c1ccc3ccc4ccccc4c23,mutagenic
97851-13-3,Oc1ccc(cc1[N+](=O)[O-])c2cccc(c2O)[N+](=O)[O-],non-mutagenic
92-67-1,Nc1ccc(cc1)c2ccccc2,mutagenic
159714-85-9,CCc1c2C3OC3c4ccccc4c2cc5ccccc15,mutagenic
124817-06-7,OC(CN=N#N)c1ccccc1,mutagenic
75-26-3,CC(C)Br,mutagenic
1594-56-5,[O-][N+](=O)c1ccc(SC#N)c(c1)[N+](=O)[O-],mutagenic
443-48-1,Cc1ncc([N+](=O)[O-])n1CCO,mutagenic
57564-91-7,NC(CCC(=O)N(CC(=O)O)C(=O)C(N)CSN=O)C(=O)O,mutagenic
603-54-3,NC(=O)N(c1ccccc1)c2ccccc2,non-mutagenic
607-30-7,ONc1cccc2ccccc12,mutagenic
105467-73-0,OC1C2OC2c3c(ccc4nc5ccc6ccccc6c5cc34)C1O,mutagenic
NOCAS_M199,C=CC(=O)OC[C@H]1CO1,mutagenic
114882-46-1,O=Nc1ccc2ccc3cc4ccccc4c5ccc1c2c35,mutagenic
41122-70-7,CCCCCCc1ccc(cc1)c2ccc(cc2)C#N,non-mutagenic
80830-42-8,OC(=O)C1CSC(N1C(=O)CCS)c2ccccc2O,non-mutagenic
147-47-7,CC1=CC(C)(C)Nc2ccccc12,non-mutagenic
544-63-8,CCCCCCCCCCCCCC(=O)O,non-mutagenic
NOCAS_M465,C[C@@H]1OCCc2cc3c(cc12)C(C)(C)[C@@H](C)C3(C)C,non-mutagenic
63412-06-6,CN(N=O)C(=O)c1ccccc1,mutagenic
67508-85-4,CC[C@]1(O)C[C@H](O[C@@H]2C[C@H](N)[C@@H](O)[C@H](C)O2)c3c(O)c4C(=O)c5c(O)ccc(O)c5C(=O)c4cc3[C@H]1C(=O)OC,mutagenic
103978-08-1,CCN1C=C(C(=O)O)C(=O)c2cc(F)c(c(F)c12)c3ccc(O)cc3,mutagenic
123016-76-2,NC(=O)N(c1ccccc1)c2ccc(cc2)C(=O)O,mutagenic
23355-64-8,OCCN(CCO)c1ccc(N=Nc2c(Cl)cc(cc2Cl)[N+](=O)[O-])c(Cl)c1,mutagenic
88741-68-8,COc1ccc2C(=O)c3c(OC)c(OC)cc4ccnc(c2c1)c34,mutagenic
3351-28-8,Cc1cccc2c1ccc3c4ccccc4ccc23,mutagenic
115609-71-7,Cc1cnc2c(n1)c(C)cc3c2nc(N)n3C,mutagenic
578-67-6,Oc1cccc2ncccc12,mutagenic
24027-84-7,Oc1cc2cccc3ccc4c5ccccc5cc1c4c23,mutagenic
131862-22-1,CN(C)CCNC(=O)c1cccc2cc(oc12)c3ccccc3,mutagenic
102791-33-3,[O-][N+](=O)c1ccc2OC(=O)c3cccc4ccc1c2c34,mutagenic
113393-59-2,CC(=C)c1ccc(C)c2ccc(CO)c2c1,mutagenic
NOCAS_M550,CC(C)[C@@H]1CC[C@@H](C)CC1,non-mutagenic
84-11-7,O=C1C(=O)c2ccccc2c3ccccc13,non-mutagenic
180913-77-3,CC(=O)Nc1ccc2C(=O)C(=O)c3cccc4ccc1c2c34,mutagenic
345667-01-8,CC(C)(C)c1cc(ccc1NO)c2ccccc2,mutagenic
873-69-8,O\N=C\c1ccccn1,non-mutagenic
312304-89-5,CC(=O)OCN(CCCCCl)N=O,mutagenic
55446-27-0,COc1cc2O[C@H]3OC=C[C@H]3c2c4OC(=O)C5=C([C@@H](O)C[C@@H]5O)c14,mutagenic
63-25-2,CNC(=O)Oc1cccc2ccccc12,mutagenic
155379-82-1,Cc1cc(N)cc(c1N)[N+](=O)[O-],mutagenic
100757-60-6,ClCc1ccc2ccc3cc4ccccc4c5ccc1c2c35,non-mutagenic
51325-35-0,CC(=O)Nc1nc(NC(=O)C)nc(n1)c2oc(cc2)[N+](=O)[O-],mutagenic
79-27-6,BrC(Br)C(Br)Br,non-mutagenic
4176-53-8,Nc1cccc2c1ccc3ccccc23,mutagenic
139495-76-4,CN1CCN(CC1)c2cc3N(C4CC4)C5=CC(=O)NC(=O)N5c3cc2F,mutagenic
108-88-3,Cc1ccccc1,non-mutagenic
56525-92-9,COc1nncc2ncccc12,non-mutagenic
2757-90-6,N[C@@H](CCC(=O)NNc1ccc(CO)cc1)C(=O)O,mutagenic
132742-02-0,[O-][N+](=O)c1c2C=CCCc2c3ccc4cccc5ccc1c3c45,mutagenic
6983-79-5,COC(=O)\C=C\C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C(=O)OC)/C)\C,mutagenic
111380-08-6,Cn1cnc(c2ccccc2)c1N=O,mutagenic
218-08-6,c1ccc2c(c1)ccc3c4cccnc4ccc23,mutagenic
74006-72-7,O=C1CC2SCC=CN12,non-mutagenic
3268-49-3,CSCCC=O,non-mutagenic
92339-11-2,CC(=O)N(CC(O)CN(C(=O)C)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I)c2c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c2I,non-mutagenic
153654-33-2,Oc1cc2[nH]c3ccccc3c2cc1[N+](=O)[O-],mutagenic
97461-43-3,COC(=O)\C(=C\c1oc(cc1)[N+](=O)[O-])\C,mutagenic
82-39-3,COc1cccc2C(=O)c3ccccc3C(=O)c12,mutagenic
129-73-7,CN(C)c1ccc(cc1)C(c2ccccc2)c3ccc(cc3)N(C)C,non-mutagenic
143-16-8,CCCCCCNCCCCCC,non-mutagenic
1195-79-5,C[C@]12CC[C@H](C1)C(C)(C)C2=O,non-mutagenic
683-51-2,ClC(=C)C=O,mutagenic
602-60-8,[O-][N+](=O)c1c2ccccc2cc3ccccc13,mutagenic
25168-15-4,CC(C)CCCCCOC(=O)Cc1cc(Cl)c(Cl)cc1Cl,non-mutagenic
24519-27-5,N#CC1=C(SCCS1)C#N,non-mutagenic
5221-17-0,BrCC(Br)C=O,mutagenic
121-88-0,Nc1ccc(cc1O)[N+](=O)[O-],mutagenic
620-02-0,Cc1oc(C=O)cc1,non-mutagenic
67809-14-7,CN(C=O)N=O,mutagenic
149-32-6,OCC(O)C(O)CO,non-mutagenic
136-35-6,N(N=Nc1ccccc1)c2ccccc2,mutagenic
16110-09-1,Clc1ccc(Cl)nc1,non-mutagenic
2154-67-8,CC1(C)C=C(C(=O)O)C(C)(C)N1O,non-mutagenic
16596-38-6,CC(C)CN(N)CC(C)C,mutagenic
122349-91-1,Cc1cc(C)c2cc(C)c(N)cc2n1,mutagenic
579527-03-0,Clc1cc(Cl)cc(c1)N2C(=O)N3C[C@H](C[C@@]3(Cc4ccc(cc4)C#N)C2=O)N=[N+]=[N-],mutagenic
89-58-7,Cc1ccc(C)c(c1)[N+](=O)[O-],mutagenic
363-03-1,O=C1C=CC(=O)C(=C1)c2ccccc2,non-mutagenic
139259-93-1,CC(=O)ON(OCc1ccc(cc1)C(C)(C)C)C(=O)c2ccccc2,mutagenic
58139-53-0,CC(=O)Nc1nc(cs1)c2cc(cs2)[N+](=O)[O-],mutagenic
1582-09-8,CCCN(CCC)c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-],mutagenic
88-14-2,OC(=O)c1occc1,non-mutagenic
2278-22-0,CC(=O)OO[N+](=O)[O-],mutagenic
2646-17-5,Cc1ccccc1N=Nc2c(O)ccc3ccccc23,mutagenic
982-57-0,O[C@H]([C@H](COC(=O)CCC(=O)O)NC(=O)C(Cl)Cl)c1ccc(cc1)[N+](=O)[O-],non-mutagenic
108-64-5,CCOC(=O)CC(C)C,non-mutagenic
64099-28-1,COc1nsc2ccc(N)cc12,mutagenic
70-25-7,CN(N=O)C(=N)N[N+](=O)[O-],mutagenic
NOCAS_M495,[O-][N+](=O)c1ccc(cc1)[C@@H]2O[C@H]2C(=O)c3ccccc3,non-mutagenic
63038-82-4,O[C@H]1[C@H](O)c2cc3ccc4ccccc4c3cc2[C@@H]5O[C@H]15,mutagenic
160543-18-0,Cc1c2C3OC3c4ccccc4c2nc5ccc(CO)cc15,non-mutagenic
113600-17-2,Fc1cccc2cc3c(cc12)c4cccc5cccc3c45,mutagenic
116208-67-4,Fc1ccc2c3cc4ccccc4cc3c5cccc1c25,mutagenic
NOCAS_M200,BrC[C@@H](Br)COC(=O)C=C,mutagenic
1591-56-6,CN(C)c1ccc(cc1)N=Nc2ccc(NC(=O)C)cc2,mutagenic
95-57-8,Oc1ccccc1Cl,non-mutagenic
947-73-9,Nc1cc2ccccc2c3ccccc13,mutagenic
159092-77-0,[O-][N+](=O)c1cccc2c1c(cc3cccc(c23)[N+](=O)[O-])[N+](=O)[O-],mutagenic
1116-54-7,OCCN(CCO)N=O,mutagenic
146795-44-0,[O-][N+](=O)c1ccc(NC(=O)c2csc(c2)[N+](=O)[O-])cc1,mutagenic
2439-35-2,CN(C)CCOC(=O)C=C,non-mutagenic
334-22-5,ClCCNCCCl,mutagenic
112368-26-0,OC(=O)CCC(=O)Nc1cc(Cl)c(Cl)c(Cl)c1,non-mutagenic
70403-80-4,COc1ccc2cc3N(C)CCc4cc(OC)c(OC)c(c2c1)c34,non-mutagenic
163275-68-1,Fc1ccc(F)c2c1ccc3ncccc23,mutagenic
1728-95-6,COc1ccc(cc1)c2nc(c3ccccc3)c([nH]2)c4ccccc4,mutagenic
158729-24-9,Clc1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1,non-mutagenic
646-06-0,C1COCO1,non-mutagenic
8004-87-3,CNc1ccc(cc1)C(=C2C=CC(=[N+](C)C)C=C2)c3ccc(cc3)N(C)C,mutagenic
134170-56-2,COC(=O)c1oc(N(OC(=O)C)C(=O)C)c(c2ccccc2)c1c3ccccc3,non-mutagenic
96-11-7,BrCC(Br)CBr,mutagenic
3096-52-4,[O-][N+](=O)c1ccc2c3ccccc3C(=O)c2c1,mutagenic
463-40-1,CC\C=C\C\C=C\C\C=C\CCCCCCCC(=O)O,non-mutagenic
531-82-8,CC(=O)Nc1nc(cs1)c2oc(cc2)[N+](=O)[O-],mutagenic
32433-28-6,CC(=O)Nc1ccnc2ccccc12,non-mutagenic
13687-09-7,CNP(=S)(N1CC1)N2CC2,mutagenic
105708-74-5,BrCc1c2cccc3ccc4cc5cccc6ccc1c(c56)c4c23,mutagenic
305-03-3,OC(=O)CCCc1ccc(cc1)N(CCCl)CCCl,mutagenic
28124-29-0,Nc1ccc2nc3c(N)cccc3nc2c1,mutagenic
147318-81-8,CSCC(NC(=O)COc1cccc2cnccc12)C(=O)NC(Cc3ccccc3)C(O)C(=O)N4CSCC4C(=O)NC(C)(C)C,non-mutagenic
51938-13-7,CCCCN(CCCO)N=O,mutagenic
96-91-3,Nc1cc(cc(c1O)[N+](=O)[O-])[N+](=O)[O-],mutagenic
557-91-5,CC(Br)Br,non-mutagenic
4823-47-6,BrCCOC(=O)C=C,mutagenic
133831-62-6,[O-][N+](=O)c1ccccc1SS\C(=C(/Cl)\C(F)(F)F)\Cl,mutagenic
110-63-4,OCCCCO,non-mutagenic
146177-58-4,Cc1cc2c(nc(N)n2C)c3nc(C)c(C)nc13,mutagenic
2524-03-0,COP(=S)(Cl)OC,non-mutagenic
103369-09-1,CC(=O)OCNC(=O)c1ccc(Cl)cc1,non-mutagenic
106636-48-0,[O-][N+](=O)c1ccc(cc1)c2nc3SCCn3c2[N+](=O)[O-],mutagenic
148-53-8,COc1cccc(C=O)c1O,non-mutagenic
6639-36-7,[O-][N+](=O)c1ccc2sc3ccccc3c2c1,mutagenic
41340-36-7,CCc1cccc2c(CCO)c[nH]c12,non-mutagenic
33973-15-8,CC12OOC1(C)c3ccccc3O2,mutagenic
134-20-3,COC(=O)c1ccccc1N,non-mutagenic
81340-58-1,[O-][N+](=O)c1ccc2c3ccccc3c4cccc5ccc1c2c45,mutagenic
555-16-8,[O-][N+](=O)c1ccc(C=O)cc1,mutagenic
80-30-8,Cc1ccc(cc1)S(=O)(=O)NC2CCCCC2,non-mutagenic
75-11-6,ICI,non-mutagenic
139495-80-0,CN1CCN(CC1)c2cc3N(C4CC4)C5=CC(=O)N(O)C(=O)N5c3cc2F,mutagenic
108283-49-4,CC(C)(C)OC(=O)NC(CN=N#N)C(=O)O,mutagenic
NOCAS_M383,ClC(Cl)[C@H](c1ccc(Cl)cc1)c2ccccc2Cl,non-mutagenic
132059-53-1,OC1OC(=O)C(=C1C(Br)Br)Br,mutagenic
5623-11-0,CC(=O)Nc1cccc(N)c1C(=O)O,mutagenic
23696-28-8,Cc1c(C(=O)NCCO)[n+]([O-])c2ccccc2[n+]1[O-],mutagenic
84-24-2,CCCCCC(=O)Cc1cc(O)cc2Oc3c(CCCCC)c(C(=O)O)c(O)cc3OC(=O)c12,non-mutagenic
4170-30-3,C\C=C/C=O,mutagenic
99520-57-7,OC1C(O)c2ccc3cccc4cc5c6ccccc6C1=c5c2c34,non-mutagenic
331-39-5,OC(=O)\C=C\c1ccc(O)c(O)c1,non-mutagenic
191861-15-1,Fc1cnc2cccc(F)c2c1,non-mutagenic
142382-12-5,OC(=O)c1ccc(CCC(=O)CCC#N)cc1,mutagenic
109-69-3,CCCCCl,non-mutagenic
109-84-2,NNCCO,mutagenic
2478-38-8,COc1cc(cc(OC)c1O)C(=O)C,non-mutagenic
159394-72-6,[O-][N+](=O)c1ccc(\C=C\c2cccc(c2)C#N)cc1,mutagenic
NOCAS_M131,ClC(Cl)(Cl)C[C@H]1CO1,mutagenic
108-05-4,CC(=O)OC=C,non-mutagenic
585-86-4,OC[C@@H](O)[C@@H](O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@@H](O)CO,non-mutagenic
16310-69-3,C1CCc2c(C1)ccc3cc4CCc5ccccc5c4cc23,mutagenic
570-24-1,Cc1cccc(c1N)[N+](=O)[O-],mutagenic
51775-36-1,ClCC1(CCl)C2CC(Cl)(Cl)C1(CCl)C(Cl)C2Cl,non-mutagenic
107-51-7,C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C,non-mutagenic
56316-37-1,CCCN(CCCC(=O)O)N=O,mutagenic
98600-98-7,Cc1cc2C(O)C(O)C=Cc2c3cc4ccccc4cc13,mutagenic
71-36-3,CCCCO,non-mutagenic
17376-04-4,ICCc1ccccc1,non-mutagenic
57117-24-5,CS\C(=N/OC(=O)N(C)N=O)\C,mutagenic
106532-75-6,[O-][N+](=O)c1ccc2N(S\C(=N/C(=O)c3ccc(Cl)c(Cl)c3)\c2c1)C(=O)c4ccc(Cl)c(Cl)c4,mutagenic
29082-74-4,ClC(=C(Cl)c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)Cl,non-mutagenic
68279-00-5,CCCCCCCCSCN1CN(C)C=C1,non-mutagenic
55400-88-9,O1C2C1c3cccc4C5OC5c6cccc2c6c34,mutagenic
77-79-2,O=S1(=O)CC=CC1,non-mutagenic
111-66-0,CCCCCCC=C,non-mutagenic
1436-34-6,CCCCC1CO1,non-mutagenic
52-24-4,S=P(N1CC1)(N2CC2)N3CC3,mutagenic
344-07-0,Fc1c(F)c(F)c(Cl)c(F)c1F,non-mutagenic
10159-46-3,CNP(=O)(N(C)C)N(C)C,mutagenic
36355-01-8,Brc1cc(Br)c(c(Br)c1)c2c(Br)cc(Br)cc2Br,non-mutagenic
64724-48-7,CC(=O)Nc1ccc2c(Cc3ccccc23)c1OC(=O)C,non-mutagenic
144280-50-2,[O-][N+](=O)c1ccc2oc3ccc(cc3c2c1)[N+](=O)[O-],mutagenic
107-14-2,ClCC#N,non-mutagenic
135-23-9,CN(C)CCN(Cc1cccs1)c2ccccn2,non-mutagenic
117-80-6,ClC1=C(Cl)C(=O)c2ccccc2C1=O,mutagenic
954-46-1,[O-][N+](=O)c1cc2ccccc2c3ccccc13,mutagenic
476-60-8,Oc1ccc(O)c2c(O)c3ccccc3c(O)c12,mutagenic
66-81-9,C[C@H]1C[C@@H](C)C(=O)[C@H](C1)[C@@H](O)CC2CC(=O)NC(=O)C2,non-mutagenic
121-92-6,OC(=O)c1cccc(c1)[N+](=O)[O-],mutagenic
121-50-6,Nc1cc(ccc1Cl)C(F)(F)F,non-mutagenic
130536-45-7,C1Cc2ncccc2C3OC13,non-mutagenic
105-76-0,CCCCOC(=O)\C=C/C(=O)OCCCC,non-mutagenic
38252-74-3,CCCCN(CCCC(=O)O)N=O,mutagenic
115084-48-5,Nc1ccc(Cc2cc(O)c(N)c(Cl)c2)cc1Cl,non-mutagenic
185-75-1,C1COCC2(C1)CO2,mutagenic
62641-70-7,Cc1c2ccccc2cc3c4C=C[C@@H](O)[C@H](O)c4ccc13,mutagenic
70883-13-5,CCSc1cc(Cc2ccc(N)c(SCC)c2)ccc1N,mutagenic
594-70-7,CC(C)(C)[N+](=O)[O-],non-mutagenic
821-95-4,CCCCCCCCCC=C,non-mutagenic
NOCAS_M408,CCC[C@@H](C)C[C@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)C[C@H](O)CCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O,non-mutagenic
606-37-1,[O-][N+](=O)c1cc(c2ccccc2c1)[N+](=O)[O-],mutagenic
29761-21-5,CC(C)CCCCCCCOP(=O)(Oc1ccccc1)Oc2ccccc2,non-mutagenic
1522-92-5,OCC(CBr)(CBr)CBr,mutagenic
519-23-3,Cc1c2ccncc2c(C)c3c4ccccc4[nH]c13,mutagenic
162022-85-7,[O-][n+]1cc2ccncc2cn1,non-mutagenic
1516-21-8,COc1ccc(cc1)N=O,mutagenic
333-41-5,CCOP(=S)(OCC)Oc1cc(C)nc(n1)C(C)C,non-mutagenic
111-69-3,N#CCCCCC#N,non-mutagenic
1825-21-4,COc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl,mutagenic
115084-47-4,Nc1ccc(Cc2ccc(NO)c(Cl)c2)cc1Cl,mutagenic
119-27-7,COc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],mutagenic
105052-39-9,COc1ccc2C=C(Oc3cccc1c23)[N+](=O)[O-],mutagenic
56-57-5,[O-][N+](=O)c1cc[n+]([O-])c2ccccc12,mutagenic
39515-41-8,CC1(C)C(C(=O)OC(C#N)c2cccc(Oc3ccccc3)c2)C1(C)C,non-mutagenic
NOCAS_M155,CC(C)OC[C@H]1CO1,mutagenic
95-49-8,Cc1ccccc1Cl,non-mutagenic
NOCAS_M510,O[C@@H]1OCC=C2OC(=O)C=C12,non-mutagenic
104-49-4,O=C=Nc1ccc(cc1)N=C=O,non-mutagenic
732-11-6,COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O,mutagenic
112-73-2,CCCCOCCOCCOCCCC,non-mutagenic
100-69-6,C=Cc1ccccn1,non-mutagenic
2867-47-2,CN(C)CCOC(=O)C(=C)C,mutagenic
106532-65-4,[O-][N+](=O)c1ccc2N(S\C(=N/C(=O)CCCCl)\c2c1)C(=O)CCCCl,mutagenic
128753-87-7,COc1cccc2OC3(C)OOC3(C)c12,mutagenic
156243-39-9,Cc1cnc2cc3nc(N)n(C)c3c(C)c2n1,mutagenic
98090-89-2,Cc1ccc2Cc3cccc4ccc1c2c34,mutagenic
146177-60-8,Cc1cnc2c(C)c(C)c3c(nc(N)n3C)c2n1,mutagenic
63041-76-9,Cc1ccc2c(c1)cc3ccc4cccc5ccc2c3c45,mutagenic
131862-15-2,CN(C)CCNC(=O)c1cccc2c3ccccc3cnc12,mutagenic
135577-57-0,Cn1c(N=N#N)nc2ncc(cc12)c3ccccc3,mutagenic
146795-36-0,[O-][N+](=O)c1cc(cs1)C(=O)Nc2cccc(F)c2,mutagenic
7166-19-0,[O-][N+](=O)\C(=C\c1ccccc1)\Br,mutagenic
75-29-6,CC(C)Cl,mutagenic
64-17-5,CCO,non-mutagenic
6628-97-3,O=C1C=C(Nc2ccccc2)C(=O)c3ccccc13,mutagenic
NOCAS_M420,C[C@@H](CC(=O)O)C(=O)O,non-mutagenic
NOCAS_M278,OC[C@@H]1SCCN1N=O,mutagenic
5422-34-4,CC(O)C(=O)NCCO,mutagenic
1705-85-7,Cc1cc2c3ccccc3ccc2c4ccccc14,mutagenic
66789-82-0,OC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)COc3cc(Cl)c(Cl)cc3Cl,non-mutagenic
99346-47-1,OC1C=Cc2c(cc3ccc4c(O)ccc5ccc2c3c45)C1O,mutagenic
146177-59-5,Cc1c(C)c2c(nc(N)n2C)c3nccnc13,mutagenic
111-21-7,CC(=O)OCCOCCOCCOC(=O)C,mutagenic
78-63-7,CC(C)(C)OOC(C)(C)CCC(C)(C)OOC(C)(C)C,non-mutagenic
98-29-3,CC(C)(C)c1ccc(O)c(O)c1,non-mutagenic
91-58-7,Clc1ccc2ccccc2c1,non-mutagenic
123-66-0,CCCCCC(=O)OCC,non-mutagenic
78-83-1,CC(C)CO,non-mutagenic
23815-63-6,NC(CSc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])C(=O)O,mutagenic
7151-65-7,CC(=O)N(Cl)c1ccc2c(Cc3ccccc23)c1,mutagenic
90147-19-6,CCCCOC(=O)\C=C\c1oc(cc1)[N+](=O)[O-],mutagenic
119260-67-2,Nc1ccc(Cc2ccc(N=O)c(Cl)c2)cc1Cl,non-mutagenic
192-65-4,c1ccc2c(c1)cc3c4ccccc4c5cccc6ccc2c3c56,mutagenic
333-27-7,COS(=O)(=O)C(F)(F)F,mutagenic
54-85-3,NNC(=O)c1ccncc1,mutagenic
83053-57-0,CCOc1cc2C(=O)CCc2c3ccc4ccccc4c13,non-mutagenic
55256-58-1,COc1c(Cl)ccc2Oc3cc4OC5OC=CC5c4c(OC)c3C(=O)c12,mutagenic
218-21-3,c1cnc2c(c1)ccc3c4cccnc4ccc23,mutagenic
2519-30-4,CC(=O)Nc1ccc(c2cc(c(N=Nc3ccc(N=Nc4ccc(cc4)S(=O)(=O)O)c5ccc(cc35)S(=O)(=O)O)c(O)c12)S(=O)(=O)O)S(=O)(=O)O,non-mutagenic
NOCAS_M575,C[C@@H](S)C(=O)NCC(=O)O,non-mutagenic
161221-84-7,COc1cc(C)cc2c(OC(=O)C)c(cc(OC(=O)C)c12)c3c(C)cc4c(OC(=O)C)ccc(OC(=O)C)c4c3OC,non-mutagenic
3740-52-1,OC(=O)Cc1ccccc1[N+](=O)[O-],mutagenic
126-27-2,CN(C(=O)CN(CCO)CC(=O)N(C)C(C)(C)Cc1ccccc1)C(C)(C)Cc2ccccc2,non-mutagenic
NOCAS_M11,CCN(CC)CCC[C@@H](C)Nc1c2ccc(Cl)cc2nc3ccc(OC)cc13,mutagenic
66-27-3,COS(=O)(=O)C,mutagenic
2429-82-5,Nc1ccc2cc(c(N=Nc3ccc(cc3)c4ccc(cc4)N=Nc5ccc(O)c(c5)C(=O)O)c(O)c2c1)S(=O)(=O)O,mutagenic
20268-51-3,[O-][N+](=O)c1c2ccccc2cc3c1ccc4ccccc34,non-mutagenic
16090-02-1,OS(=O)(=O)c1cc(Nc2nc(Nc3ccccc3)nc(n2)N4CCOCC4)ccc1\C=C\c5ccc(Nc6nc(Nc7ccccc7)nc(n6)N8CCOCC8)cc5S(=O)(=O)O,non-mutagenic
2837-89-0,FC(Cl)C(F)(F)F,non-mutagenic
139-96-8,CCCCCCCCCCCCOS(=O)(=O)O,non-mutagenic
89-82-7,C[C@@H]1CCC(=C(C)C)C(=O)C1,non-mutagenic
128753-86-6,CC(=O)c1cccc2c1OC3(C)OOC23C,mutagenic
78533-30-9,BrCc1c2ccccc2cc3ccc4ccccc4c13,mutagenic
107-20-0,ClCC=O,mutagenic
2589-58-4,CCC(C)Nc1snc2ccccc12,non-mutagenic
153954-29-1,Cc1cnc2cc(CO)c3c(nc(N)n3C)c2n1,mutagenic
622-51-5,Cc1ccc(NC(=O)N)cc1,non-mutagenic
60197-68-4,CC(=O)OC[C@H]1O[C@@H](Oc2cccc3C(=O)c4cccc(O)c4C(=O)c23)[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@@H]1OC(=O)C,mutagenic
68267-99-2,CN(C(=O)CCCl)c1snc2ccccc12,mutagenic
2275-23-2,CNC(=O)[C@@H](C)SCCSP(=O)(OC)OC,mutagenic
32451-61-9,NC(=O)Nc1cccc2cccnc12,non-mutagenic
189-55-9,c1ccc2c(c1)cc3ccc4cc5ccccc5c6ccc2c3c46,mutagenic
130933-91-4,OC1C2OC2c3c(ccc4c5C=Cc6cccc(cc34)c56)C1O,mutagenic
96-47-9,CC1CCCO1,non-mutagenic
99523-59-8,Cc1ccc2nsc(NC(=O)C(Cl)(Cl)Cl)c2c1,mutagenic
57-13-6,NC(=O)N,non-mutagenic
100-02-7,Oc1ccc(cc1)[N+](=O)[O-],non-mutagenic
NOCAS_M183,C[C@H]1CC(=O)O1,mutagenic
59-51-8,CSCCC(N)C(=O)O,non-mutagenic
102791-32-2,[O-][N+](=O)c1ccc2ccc3cccc4C(=O)C(=O)c1c2c34,mutagenic
115044-41-2,Cc1cnc2ccc3c(nc(NO)n3C)c2n1,mutagenic
112309-62-3,OC(=O)C=C(C(Cl)Cl)C(Cl)Cl,mutagenic
24096-53-5,Clc1cc(Cl)cc(c1)N2C(=O)CCC2=O,non-mutagenic
6931-54-0,CC1(C)C2CCC3(CO3)C1C2,non-mutagenic
6548-29-4,Nc1c(N=Nc2ccc(cc2Cl)c3ccc(N=Nc4c(N)c(cc5cc(ccc45)S(=O)(=O)O)S(=O)(=O)O)c(Cl)c3)c6ccc(cc6cc1S(=O)(=O)O)S(=O)(=O)O,non-mutagenic
194479-79-3,Nc1c2ccccc2nc3ccc(I)cc13,mutagenic
60391-92-6,NC(=O)N(CC(=O)O)N=O,non-mutagenic
57074-51-8,C[C@H]1C[C@H]2OC(=O)C(=C)[C@H]2C[C@@]3(C)[C@H](O)O[C@H](O)C[C@H]13,mutagenic
646-14-0,CCCCCC[N+](=O)[O-],non-mutagenic
615-53-2,CCOC(=O)N(C)N=O,mutagenic
220168-39-8,O=C(ON(OCc1ccccc1)C(=O)c2ccccc2)c3ccccc3,mutagenic
55936-76-0,COC(=O)c1ccc(cc1)N=Nc2ccc(cc2)N(C)OC(=O)C,mutagenic
128753-96-8,CC(=O)OCC12OOC1(C)c3ccccc3O2,mutagenic
88321-09-9,CCOC(=O)C1OC1C(=O)NC(CC(C)C)C(=O)NCCC(C)C,non-mutagenic
1671-82-5,Cn1ccnc1[N+](=O)[O-],mutagenic
364-74-9,[O-][N+](=O)c1cc(F)ccc1F,mutagenic
149127-58-2,CCCN=NC(C)(C)OO,mutagenic
396-32-7,Fc1ccc2cccnc2c1,mutagenic
593-60-2,BrC=C,mutagenic
53198-46-2,CN(N=O)[C@H](OC(=O)C)c1ccccc1,mutagenic
623-30-3,O=C\C=C/c1occc1,non-mutagenic
NOCAS_M249,N[C@@H](CCC(=O)NNc1ccccc1)C(=O)O,mutagenic
97-56-3,Cc1ccccc1N=Nc2ccc(N)c(C)c2,mutagenic
NOCAS_M497,CCOC(=O)[C@H](SP(=S)(OC)OC)c1ccccc1,non-mutagenic
5776-39-6,C[n+]1c2ccccc2cc3ccccc13,mutagenic
25376-45-8,Cc1cc(N)cc(N)c1,non-mutagenic
3333-52-6,CC(C)(C#N)C(C)(C)C#N,non-mutagenic
89-87-2,Cc1ccc(c(C)c1)[N+](=O)[O-],mutagenic
547-58-0,CN(C)c1ccc(cc1)N=Nc2ccc(cc2)S(=O)(=O)O,non-mutagenic
499-75-2,CC(C)c1ccc(C)c(O)c1,non-mutagenic
129-43-1,Oc1cccc2C(=O)c3ccccc3C(=O)c12,mutagenic
1465-25-4,NCCNc1cccc2ccccc12,mutagenic
NOCAS_M537,C[C@H](CS)[C@@H]1CC[C@@H](C)[C@H](S)C1,non-mutagenic
4584-49-0,C[C@H](Cl)CN(C)C,mutagenic
555-03-3,COc1cccc(c1)[N+](=O)[O-],non-mutagenic
29706-59-0,OCc1c(O)c2C(=O)c3ccccc3C(=O)c2cc1OC4OC(COC5OCC(O)C(O)C5O)C(O)C(O)C4O,mutagenic
22071-15-4,CC(C(=O)O)c1cccc(c1)C(=O)c2ccccc2,non-mutagenic
NOCAS_M438,CCOC(=O)C[C@H](S[P@@](=O)(OC)SC)C(=O)OCC,non-mutagenic
NOCAS_M100,Cc1ccc(cc1C)[C@@](OC(=O)NC2CCCCC2)(C#C)c3ccccc3,mutagenic
4196-86-5,COCC(COC(=O)c1ccccc1)(COC(=O)c2ccccc2)COC(=O)c3ccccc3,non-mutagenic
6967-29-9,CCc1cccc(CC)c1NC(=O)CCl,mutagenic
4359-61-9,CC(=O)N(N)C(=O)C,non-mutagenic
67730-10-3,Nc1ccc2nc3ccccn3c2n1,mutagenic
15791-78-3,OCCc1ccc(Nc2ccc(O)c3C(=O)c4c(O)ccc(c4C(=O)c23)[N+](=O)[O-])cc1,mutagenic
6270-13-9,OCCN(CCO)c1ccc2ccccc2c1,mutagenic
119-61-9,O=C(c1ccccc1)c2ccccc2,non-mutagenic
53-03-2,CC12CC(=O)C3C(CCC4=CC(=O)C=CC34C)C1CCC2(O)C(=O)CO,mutagenic
105801-28-3,ON(C=O)c1ccc(Oc2ccc(Cl)cc2)cc1,mutagenic
79-21-0,CC(=O)OO,non-mutagenic
111-96-6,COCCOCCOC,non-mutagenic
26148-68-5,Nc1ccc2c3ccccc3[nH]c2n1,mutagenic
1077-28-7,OC(=O)CCCC[C@@H]1CCSS1,non-mutagenic
31969-03-6,Cc1cccc(N=Nc2c(O)ccc3ccccc23)c1C,non-mutagenic
35250-53-4,SCCc1cnccn1,non-mutagenic
720-69-4,Nc1nc(N)nc(n1)c2oc(cc2)[N+](=O)[O-],mutagenic
4316-73-8,CNCC(=O)O,non-mutagenic
14448-67-0,CN1\C(=N\N)\Sc2ccccc12,mutagenic
63019-38-5,Oc1cccc2c1ccc3c4ccccc4ccc23,mutagenic
859-97-2,CC(CCC(=O)O)C1CCC2C3C(CCC12C)C4(C)CCC(=O)CC4CC3=O,non-mutagenic
5581-32-8,CC(C)(c1ccc(OCC(O)CO)cc1)c2ccc(OCC(O)CO)cc2,non-mutagenic
1794-45-2,Clc1ccccc1\C=C\C=O,mutagenic
1253-84-5,CC(C)CCCC(C)C1CCC2C3CC(O)C4(O)CC(O)CCC4(C)C3CCC12C,mutagenic
3385-21-5,NC1CCCC(N)C1,non-mutagenic
113779-16-1,C1=Cc2cc3cccc4c5ccccc5c6ccc1c2c6c34,mutagenic
75464-11-8,CCCC(=O)C1c2cccc(O)c2C(=O)c3c(O)cccc13,mutagenic
NOCAS_M520,CC(=C)[C@@H]1CC=C(C)[C@@H](O)C1,non-mutagenic
2835-39-4,CC(C)CC(=O)OCC=C,non-mutagenic
43210-67-9,COC(=O)Nc1nc2cc(Sc3ccccc3)ccc2[nH]1,non-mutagenic
100-11-8,[O-][N+](=O)c1ccc(CBr)cc1,mutagenic
109380-46-3,CCOC(=O)C(C#N)c1snc2ccc(cc12)[N+](=O)[O-],mutagenic
1608-51-1,Fc1ccc(\C=C\C(=O)c2ccccc2)cc1,non-mutagenic
830-96-6,OC(=O)CCc1c[nH]c2ccccc12,non-mutagenic
6281-32-9,OCc1ccnc2ccccc12,non-mutagenic
3475-63-6,CN(C)C(=O)N(C)C=O,mutagenic
7269-60-5,Cn1cnc2c(NO)ncnc12,mutagenic
85-44-9,O=C1OC(=O)c2ccccc12,non-mutagenic
74518-94-8,[O-][N+](=O)c1ccc(\C=C\c2ccc(cc2)C#N)cc1,mutagenic
133550-91-1,OCc1ccc2cccc3c4ccccc4c1c23,non-mutagenic
87638-04-8,NC(=O)OCC1C(NC(=O)\C(=N/OCC(=O)O)\c2csc(N)n2)C(=O)N1S(=O)(=O)O,non-mutagenic
133591-35-2,Cc1cc(c(C)c2c3cc(ccc3[nH]c12)[N+](=O)[O-])[N+](=O)[O-],mutagenic
53330-03-3,NC(CSC(=O)NCCCl)C(=O)O,mutagenic
3586-69-4,[O-][N+](=O)c1ccc2cc3ccccc3cc2c1,mutagenic
112-56-1,CCCCOCCOCCSC#N,non-mutagenic
194-59-2,c1ccc2c(c1)ccc3[nH]c4ccc5ccccc5c4c23,mutagenic
109-73-9,CCCCN,non-mutagenic
33611-88-0,[O-][N+](=O)c1cc2cccc3c4ccccc4c(c1[N+](=O)[O-])c23,mutagenic
16495-13-9,C(OCc1ccccc1)C2CO2,mutagenic
30235-27-9,Nc1nc(cs1)c2cccnc2,non-mutagenic
102-16-9,O=C(Cc1ccccc1)OCc2ccccc2,non-mutagenic
64521-09-1,CN(N=O)C(=O)Oc1ccc(C)c(C)c1C,mutagenic
93793-83-0,CC(=O)OCC(=O)NCCCOc1cccc(CN2CCCCC2)c1,non-mutagenic
10353-99-8,[O-][N+](=O)c1ccc2C=Cc3cccc1c23,mutagenic
6959-48-4,ClCc1cccnc1,mutagenic
155-09-9,N[C@@H]1C[C@H]1c2ccccc2,non-mutagenic
316-49-4,Cc1cccc2c1ccc3cc4ccccc4cc23,mutagenic
100-44-7,ClCc1ccccc1,mutagenic
126370-97-6,FC(F)(F)c1cccc(CN2C3C2c4ccccc4c5ccccc35)c1,mutagenic
84736-60-7,ON(C=O)c1ccc(cc1)[N+](=O)[O-],mutagenic
77287-29-7,COC(=O)C(C)Cl,mutagenic
1668-19-5,CN(C)CC\C=C\1/c2ccccc2COc3ccccc13,non-mutagenic
NOCAS_M346,C[C@H](CCc1ccccc1)NC[C@@H](O)c2ccc(O)c(c2)C(=O)N,non-mutagenic
54897-63-1,CCN(CCCC(=O)O)N=O,mutagenic
21388-97-6,CC(=O)OCc1cccc(c1)[N+](=O)[O-],non-mutagenic
100-27-6,OCCc1ccc(cc1)[N+](=O)[O-],mutagenic
107-11-9,NCC=C,non-mutagenic
42028-27-3,CCc1cc2C(=O)CCc2c3ccc4ccccc4c13,mutagenic
517-66-8,COc1cc2CC3N(C)CCc4cc5OCOc5c(c34)c2cc1OC,mutagenic
97467-07-7,C[N+]1=CC=C(CC1)c2ccccc2,mutagenic
134-31-6,Oc1cccc2cccnc12,mutagenic
7417-67-6,CN(N=O)C(=O)C,mutagenic
196-77-0,C1=Cc2c3ccc4cccc5ccc(c6cccc1c26)c3c45,mutagenic
34244-14-9,Clc1ccc2ccc3cccc4ccc1c2c34,mutagenic
40321-98-0,CCC(CCC(=O)C)COC(=O)c1ccccc1C(=O)O,non-mutagenic
134-62-3,CCN(CC)C(=O)c1cccc(C)c1,non-mutagenic
2379-74-0,Cc1cc(Cl)cc2S\C(=C\3/Sc4cc(Cl)cc(C)c4C3=O)\C(=O)c12,non-mutagenic
122033-85-6,Cc1ccc(C)c2c3C4OC4C(O)C(O)c3ccc12,mutagenic
2381-16-0,Cc1ccc2cc3c(ccc4ccccc34)cc2c1,mutagenic
99-54-7,[O-][N+](=O)c1ccc(Cl)c(Cl)c1,mutagenic
68941-03-7,Nc1ccc(cc1)N(c2ccc3ccccc3c2)c4ccc5ccccc5c4,non-mutagenic
118499-61-9,OC1C(O)c2cc3ccc4cccc5ccc(c2C(O)C1S(=O)(=O)O)c3c45,non-mutagenic
109143-16-0,[O-][N+](=O)c1oc2ccc(cc2c1)N(CCCl)CCCl,mutagenic
124617-84-1,CCCCON(OC(=O)C)C(=O)c1ccccc1,mutagenic
224-53-3,c1ccc2c(c1)ccc3cc4ccc5ccccc5c4nc23,mutagenic
4691-65-0,OC1C(O)C(OC1COP(=O)(O)O)n2cnc3c(O)ncnc23,non-mutagenic
107-44-8,CC(C)OP(=O)(C)F,non-mutagenic
1794-84-9,[O-][N+](=O)CCl,mutagenic
156215-58-6,Cn1c(N)nc2nc3ccccc3cc12,mutagenic
136-77-6,CCCCCCc1ccc(O)cc1O,non-mutagenic
102029-81-2,CC(N)C(=O)O,non-mutagenic
2541-69-7,Cc1c2ccccc2cc3c1ccc4ccccc34,mutagenic
589-17-3,ClCc1ccc(Br)cc1,non-mutagenic
106-93-4,BrCCBr,mutagenic
98-88-4,ClC(=O)c1ccccc1,mutagenic
94-25-7,CCCCOC(=O)c1ccc(N)cc1,non-mutagenic
87259-00-5,OC1C=Cc2cc3c(ccc4ccccc34)c(c2C1O)[N+](=O)[O-],mutagenic
89-69-0,[O-][N+](=O)c1cc(Cl)c(Cl)cc1Cl,mutagenic
3018-12-0,ClC(Cl)C#N,mutagenic
574-06-1,CC(=O)OC(C(=O)c1ccccc1)c2ccccc2,non-mutagenic
56-75-7,OCC(NC(=O)C(Cl)Cl)C(O)c1ccc(cc1)[N+](=O)[O-],non-mutagenic
528-53-0,Oc1cc(O)c2cc(O)c([o+]c2c1)c3cc(O)c(O)c(O)c3,non-mutagenic
202345-21-9,Cc1cc2c3ccccc3[nH]c2nc1NO,mutagenic
NOCAS_M162,O=C(OC[C@H]1CO1)c2cccc(c2)C(=O)OC[C@H]3CO3,mutagenic
68268-00-8,CN(C(=O)CCCCl)c1snc2ccccc12,non-mutagenic
63785-42-2,OS(=O)(=O)Oc1cccc2c3ccc4cccc5ccc(cc12)c3c45,non-mutagenic
49562-28-9,CC(C)OC(=O)C(C)(C)Oc1ccc(cc1)C(=O)c2ccc(Cl)cc2,non-mutagenic
634-66-2,Clc1ccc(Cl)c(Cl)c1Cl,non-mutagenic
98105-99-8,OC(=O)C1=CN(c2ccc(F)cc2)c3cc(N4CCNCC4)c(F)cc3C1=O,non-mutagenic
298-02-2,CCOP(=S)(OCC)SCSCC,non-mutagenic
107-70-0,COC(C)(C)CC(=O)C,non-mutagenic
128350-00-5,CC(\C=C(/C#N)\c1ccc(Cl)c(Cl)c1)C(C(C#N)c2ccc(Cl)c(Cl)c2)c3ccccc3,mutagenic
84-15-1,c1ccc(cc1)c2ccccc2c3ccccc3,non-mutagenic
50-45-3,OC(=O)c1cccc(Cl)c1Cl,non-mutagenic
140-53-4,Clc1ccc(CC#N)cc1,non-mutagenic
548-62-9,CN(C)c1ccc(cc1)C(=C2C=CC(=[N+](C)C)C=C2)c3ccc(cc3)N(C)C,non-mutagenic
5802-60-8,NN(Cc1ccccc1)Cc2ccccc2,non-mutagenic
106532-64-3,CC(C)C(=O)\N=C\1/SN(C(=O)C(C)C)c2ccc(cc12)[N+](=O)[O-],mutagenic
611-09-6,[O-][N+](=O)c1ccc2NC(=O)C(=O)c2c1,mutagenic
59-49-4,Oc1oc2ccccc2n1,non-mutagenic
2358-84-1,CC(=C)C(=O)OCCOCCOC(=O)C(=C)C,non-mutagenic
98025-31-1,NC(CSC(=C(Cl)Cl)Cl)C(=O)O,mutagenic
120812-51-3,[O-][N+](=O)c1ccc2c3CCCCc3c4c(ccc5ccc1c2c45)[N+](=O)[O-],mutagenic
86-88-4,NC(=S)Nc1cccc2ccccc12,mutagenic
20562-02-1,C[C@H]1CC[C@@H]2[C@@H](C)[C@H]3[C@@H](C[C@H]4[C@@H]5CC=C6C[C@H](CC[C@]6(C)[C@H]5CC[C@]34C)O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O[C@@H]8O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]8O)[C@@H]7O[C@@H]9O[C@@H](C)[C@H](O)[C@@H](O)[C@H]9O)N2C1,non-mutagenic
26049-69-4,CN(C)Nc1nc(cs1)c2oc(cc2)[N+](=O)[O-],mutagenic
872-05-9,CCCCCCCCC=C,non-mutagenic
58658-11-0,Nc1ccc(Nc2c3ccccc3nc4ccccc24)cc1,mutagenic
74-11-3,OC(=O)c1ccc(Cl)cc1,non-mutagenic
84174-20-9,COc1ccc(CN(C)N=O)cc1,non-mutagenic
536-33-4,CCc1cc(ccn1)C(=S)N,non-mutagenic
1528-74-1,[O-][N+](=O)c1ccc(cc1)c2ccc(cc2)[N+](=O)[O-],mutagenic
508-71-4,CC1(CCC2(C)C(C1)C(=O)CC3C4(C)CCCC23OC4=O)C=C,non-mutagenic
NOCAS_M261,Cl[C@@H](Br)C#N,mutagenic
97055-37-3,OC(=O)C(=C(C(Cl)Cl)C(Cl)Cl)Cl,mutagenic
78967-07-4,COc1ccc(cc1)c2noc(CC(=O)O)c2c3ccc(OC)cc3,non-mutagenic
NOCAS_M195,[O-][N+](=O)c1ccc2[C@H]3O[C@H]3c4cccc5ccc1c2c45,mutagenic
58071-32-2,C[C@H](O)[C@H](NC(=O)[C@@H](C)[C@H](O)[C@@H](C)NC(=O)[C@@H](NC(=O)c1nc(nc(N)c1C)[C@H](CC(=O)N)NC[C@H](N)C(=O)N)[C@@H](O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]2O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](OC(=O)N)[C@@H]3O)c4c[nH]cn4)C(=O)NCCc5nc(cs5)c6nc(cs6)C(=O)NCCCNCCCNC(=N)CC7CCC(Cl)CC7,mutagenic
NOCAS_M143,Cc1c2[C@H]3N[C@H]3c4ccccc4c2cc5ccccc15,mutagenic
1072-52-2,OCCN1CC1,mutagenic
5307-14-2,Nc1ccc(N)c(c1)[N+](=O)[O-],mutagenic
75-69-4,FC(Cl)(Cl)Cl,non-mutagenic
7661-55-4,Cc1cccc2ncccc12,mutagenic
145569-98-8,COC(=O)\C(=C/CO)\C=C(/C)\C=C(/C)\C=C\C=C(/C)\C(=O)C12OC1C(O)(CCO)NC2=O,mutagenic
NOCAS_M241,C(Oc1ccccc1)[C@H]2CO2,mutagenic
72917-35-2,Cc1cc(c(C)c2c3cc(O)ccc3[nH]c12)[N+](=O)[O-],mutagenic
100-74-3,CCN1CCOCC1,mutagenic
126983-61-7,COC1=CC(=O)c2c(nc(C)c3c4c[nH]ccc4nc23)C1=O,mutagenic
85-41-6,O=C1NC(=O)c2ccccc12,non-mutagenic
13855-74-8,OCNC(=O)c1ccc(Cl)cc1,non-mutagenic
145627-69-6,Cc1cc2CCCc2c3ccc4C(O)C(O)C=Cc4c13,mutagenic
NOCAS_M12,C[C@H](COc1ccccc1)N(CCCl)Cc2ccccc2,mutagenic
69231-25-0,COC(=O)C1=C(C(C)OC1=O)c2ccccc2,non-mutagenic
75-88-7,FC(F)(F)CCl,non-mutagenic
135-68-2,Nc1ccc(cc1)c2ccc(Cl)cc2,mutagenic
42978-43-8,CC(=O)OCc1c2ccccc2c3ccc4cccc5ccc1c3c45,mutagenic
80-70-6,CN(C)C(=N)N(C)C,non-mutagenic
3682-19-7,[O-][N+](=O)c1ccc2C(=O)NNC(=O)c2c1,mutagenic
129-09-9,O=C1c2ccc3nc(sc3c2C(=O)c4ccc5nc(sc5c14)c6ccccc6)c7ccccc7,non-mutagenic
37841-91-1,CC1(C)CC2C=C(C=O)C3(CC3(C)C2C1)C=O,mutagenic
85-86-9,Oc1ccc2ccccc2c1N=Nc3ccc(cc3)N=Nc4ccccc4,mutagenic
951-78-0,OCC1OC(CC1O)N2C=CC(=O)NC2=O,non-mutagenic
104535-30-0,Nc1cc(CCO)c(N)c(c1)[N+](=O)[O-],mutagenic
527-85-5,Cc1ccccc1C(=O)N,non-mutagenic
17987-99-4,OC(=O)c1c[n+]([O-])c2ccccc2[n+]1[O-],mutagenic
142438-65-1,COC(=O)C1=C(C)C(OC1=O)C(C)C,mutagenic
123-42-2,CC(=O)CC(C)(C)O,non-mutagenic
3577-63-7,Nc1ccc(cc1C(=O)O)S(=O)(=O)O,non-mutagenic
95741-56-3,Cc1c2c3cccc4cccc(c2c(C)c5ccccc15)c34,mutagenic
1397-89-3,C[C@@H]1OC(=O)C[C@H](O)C[C@H](O)CC[C@@H](O)[C@H](O)C[C@H](O)C[C@]2(O)C[C@H](O)[C@@H]([C@@H](C[C@@H](O[C@H]3O[C@H](C)[C@H](O)[C@H](N)[C@@H]3O)\C=C\C=C\C=C\C=C\C=C\C=C\C=C\[C@H](C)[C@@H](O)[C@H]1C)O2)C(=O)O,non-mutagenic
952-97-6,[O-][N+](=O)c1ccc(Sc2ccccc2)cc1,mutagenic
35572-78-2,Cc1c(N)cc(cc1[N+](=O)[O-])[N+](=O)[O-],mutagenic
2431-50-7,ClCC(Cl)C(=C)Cl,mutagenic
614-95-9,CCOC(=O)N(CC)N=O,mutagenic
55706-57-5,Cc1cc(C(=O)O)c2ncccc2c1,non-mutagenic
2598-99-4,CCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCC,non-mutagenic
102-71-6,OCCN(CCO)CCO,non-mutagenic
1330-78-5,Cc1ccc(O)cc1O[P@](=O)(Oc2ccc(O)cc2C)Oc3c(C)cccc3O,non-mutagenic
79-15-2,NC(=O)CBr,non-mutagenic
130040-14-1,CC(=O)N(O)c1ccc(Sc2ccccc2)cc1,mutagenic
118-52-5,CC1(C)N(Cl)C(=O)N(Cl)C1=O,non-mutagenic
69655-05-6,OC[C@H]1CC[C@H](O1)n2cnc3c(O)ncnc23,mutagenic
142382-11-4,OC(=O)c1ccc(\C=C\C(=O)CCC#N)cc1,non-mutagenic
30835-65-5,Cc1cc2ccccc2c3ccc4C(=O)CCc4c13,mutagenic
618-46-2,ClC(=O)c1cccc(Cl)c1,mutagenic
127045-41-4,CC1COc2c3N1C=C(C(=O)O)C(=O)c3cc(F)c2C4(N)CC4,non-mutagenic
4655-34-9,CC(C)OC(=O)C(=C)C,non-mutagenic
89-86-1,OC(=O)c1ccc(O)cc1O,non-mutagenic
371-40-4,Nc1ccc(F)cc1,mutagenic
111-15-9,CCOCCOC(=O)C,mutagenic
2322-45-4,CC(C)(Br)C(=O)Nc1ccccc1,non-mutagenic
79642-25-4,Nn1c2ccccc2c3cnccc13,mutagenic
185-72-8,C1CC2(CCO1)CO2,mutagenic
52253-69-7,Nc1nc(cs1)c2ccccc2,mutagenic
111712-50-6,CC(Br)C(Br)CCl,mutagenic
6452-71-7,CC(C)NCC(O)COc1ccccc1OCC=C,non-mutagenic
486-66-8,Oc1ccc(cc1)C2=COc3cc(O)ccc3C2=O,non-mutagenic
79-34-5,ClC(Cl)C(Cl)Cl,non-mutagenic
37878-54-9,CCCOc1ccc(N)cc1N,mutagenic
88-72-2,Cc1ccccc1[N+](=O)[O-],non-mutagenic
106-47-8,Nc1ccc(Cl)cc1,mutagenic
91-84-9,COc1ccc(CN(CCN(C)C)c2ccccn2)cc1,non-mutagenic
98601-01-5,Cc1cc2ccccc2c3cc4C(O)C(O)C=Cc4cc13,mutagenic
546-88-3,CC(=O)NO,mutagenic
5447-11-0,CSCCC(NC(=O)COc1cc(Cl)c(Cl)cc1Cl)C(=O)O,non-mutagenic
27208-37-3,C1=Cc2cc3cccc4ccc5ccc1c2c5c34,mutagenic
20643-71-4,COc1c2ccoc2nc3cc(O)ccc13,non-mutagenic
7297-53-2,[O-][N+](=O)c1ccc(\C=C\c2cccc(Cl)c2)cc1,mutagenic
2373-51-5,CSCCl,mutagenic
3717-88-2,CC1=C(Oc2c(cccc2C1=O)C(=O)OCCN3CCCCC3)c4ccccc4,non-mutagenic
61702-44-1,Nc1ccc(NOS(=O)(=O)O)cc1Cl,mutagenic
43192-07-0,Cc1ccc(NO)cc1C,mutagenic
16664-45-2,Cc1cc(C)c2ccc3ccccc3c2c1,mutagenic
149573-80-8,ONC(=O)Cc1cn(cn1)N=O,mutagenic
1187-42-4,N\C(=C(\N)/C#N)\C#N,non-mutagenic
299-75-2,CS(=O)(=O)OC[C@@H](O)[C@H](O)COS(=O)(=O)C,mutagenic
104-98-3,OC(=O)\C=C\c1c[nH]cn1,non-mutagenic
59-14-3,OCC1OC(CC1O)N2C=C(Br)C(=O)NC2=O,non-mutagenic
134514-27-5,Nc1cc(c(N)cc1F)[N+](=O)[O-],mutagenic
82389-38-6,CC(=O)Nc1ccc(cc1)C(=O)[C@@H]2O[C@H]2c3ccccc3,mutagenic
91-17-8,C1CC[C@@H]2CCCC[C@H]2C1,non-mutagenic
3351-32-4,Cc1ccc2c(ccc3c4ccccc4ccc23)c1,mutagenic
150446-01-8,Cc1c(\C=N\OCc2ccc(Cl)cc2Cl)c3cc(ccc3n1Cc4ccc(Cl)cc4)[N+](=O)[O-],non-mutagenic
215245-16-2,CCN(CCC#N)c1cc(NC(=O)C)c(cc1OC)n2nc3c(Br)cc(N)c(Cl)c3n2,mutagenic
97483-08-4,COP(=O)(OC)Oc1c(Cl)cc(C)cc1Cl,non-mutagenic
527-62-8,Nc1cc(Cl)cc(Cl)c1O,non-mutagenic
96383-86-7,O[C@@H]1C=Cc2c(ccc3c2ccc4ccc(O)cc34)[C@H]1O,mutagenic
22603-58-3,Cc1c(cc(c(N)c1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],mutagenic
86334-95-4,OC1CCC(O)(CN(CC(=O)O)N=O)C(O)C1O,non-mutagenic
162022-92-6,Clc1nncc2cnccc12,non-mutagenic
52101-39-0,COC(=O)c1oc(c(c2ccccc2)c1c3ccccc3)[N+](=O)[O-],mutagenic
610-49-1,Nc1cccc2cc3ccccc3cc12,mutagenic
1187-84-4,CSCC(N)C(=O)O,non-mutagenic
5522-43-0,[O-][N+](=O)c1ccc2ccc3cccc4ccc1c2c34,mutagenic
NOCAS_M428,C[C@@H](O)C(=O)C,non-mutagenic
512-04-9,CC1CCC2(OC1)OC3CC4C5CC=C6CC(O)CCC6(C)C5CCC4(C)C3C2C,non-mutagenic
121-91-5,OC(=O)c1cccc(c1)C(=O)O,non-mutagenic
68140-48-7,CC(C)C1C(C)C(C)(C)c2cc(C)c(cc12)C(=O)C,non-mutagenic
74-31-7,N(c1ccccc1)c2ccc(Nc3ccccc3)cc2,mutagenic
524-89-0,COc1c2ccoc2nc3cc4OCOc4cc13,mutagenic
202-03-9,C1=Cc2c3ccccc3cc4cccc1c24,mutagenic
155164-65-1,CCCCC(=O)N1N=CC(=C(Cl)C1=O)Cl,non-mutagenic
830-07-9,[O-][N+](=O)\C=C\c1oc(cc1)[N+](=O)[O-],mutagenic
106532-66-5,CCCCC(=O)\N=C\1/SN(C(=O)CCCC)c2ccc(cc12)[N+](=O)[O-],mutagenic
5307-00-6,COc1cc(N)c(C)cc1N,non-mutagenic
36791-04-5,NC(=O)c1ncn(n1)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O,non-mutagenic
537-92-8,CC(=O)Nc1cccc(C)c1,non-mutagenic
162022-90-4,COc1nncc2cnccc12,non-mutagenic
700-00-5,Cn1cnc2c(N)ncnc12,mutagenic
161697-04-7,CN(C)c1ccc2nc(C)c(C)nc2c1C,mutagenic
76113-31-0,[O-][N+](=O)c1cc2c3ccccc3sc2c4ccccc14,mutagenic
119613-69-3,CCCc1cc2ccccc2c3ccc4C(O)C(O)C5OC5c4c13,non-mutagenic
15121-84-3,OCCc1ccccc1[N+](=O)[O-],mutagenic
6138-79-0,Cc1ccc(cc1)\C(=C/CN2CCCC2)\c3ccccn3,non-mutagenic
98447-35-9,CC(C)C(=O)Nc1snc2cc(Cl)ccc12,non-mutagenic
NOCAS_M118,C[C@H]1CN1,mutagenic
611-36-9,Oc1ccnc2ccccc12,non-mutagenic
92072-10-1,[O-][N+](=O)c1ccc2c3c1cccc3c4cccc5ccc(c2c45)[N+](=O)[O-],mutagenic
89021-88-5,N[C@@H](CCC(=O)N[C@@H](CS\C(=C(\Cl)/C(=C(Cl)Cl)Cl)\Cl)C(=O)NCC(=O)O)C(=O)O,mutagenic
121-61-9,CC(=O)Nc1ccc(cc1)S(=O)(=O)N,non-mutagenic
67019-32-3,CC(=O)Nc1snc2c(Cl)cc(Cl)cc12,non-mutagenic
110408-52-1,Oc1cccc2ccc3[nH]c4ccc5ccccc5c4c3c12,non-mutagenic
67-97-0,CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2\C(=C/C=C/3\C(CC[C@@H](C3)O)=C)\CCC[C@@]12C,non-mutagenic
629-14-1,CCOCCOCC,mutagenic
37962-27-9,[O-][N+](=O)c1oc(\C=C\C(=O)N\N=C\c2oc(cc2)[N+](=O)[O-])cc1,mutagenic
128946-65-6,CCCCCC(O)\C=C\C=O,non-mutagenic
2784-94-3,CNc1ccc(cc1[N+](=O)[O-])N(CCO)CCO,mutagenic
38246-95-6,CCOc1ccc(NO)cc1,mutagenic
129927-33-9,CCN(CC)CC#CC(C)(C)OC(=O)C(O)(C1CCCCC1)c2ccccc2,non-mutagenic
464-49-3,CC1(C)[C@H]2CC[C@]1(C)C(=O)C2,non-mutagenic
NOCAS_M124,O=C(OC[C@H]1CO1)[C@H]2CCCC[C@@H]2C(=O)OC[C@H]3CO3,mutagenic
82-86-0,O=C1C(=O)c2cccc3cccc1c23,mutagenic
487-99-0,CC(C)C(O)(C(C)O)C(=O)OCC1CCN2CCCC12,non-mutagenic
260-94-6,c1ccc2nc3ccccc3cc2c1,mutagenic
56183-24-5,OC1C(O)c2c(ccc3ccccc23)c4ccccc14,non-mutagenic
106532-62-1,[O-][N+](=O)c1ccc2N(S\C(=N/C(=O)CCCl)\c2c1)C(=O)CCCl,mutagenic
21802-46-0,Nc1ncnc2c1ncn2C(c3ccccc3)(c4ccccc4)c5ccccc5,mutagenic
1214-32-0,Nc1ccc2c(Cc3cc(ccc23)[N+](=O)[O-])c1,mutagenic
98897-14-4,OCNc1ncnc2c1ncn2C3OC(CO)C(O)C3O,mutagenic
61-76-7,CNC[C@@H](O)c1cccc(O)c1,non-mutagenic
124076-67-1,NC(CSC(F)(F)C(Cl)Cl)C(=O)O,non-mutagenic
82-68-8,[O-][N+](=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl,non-mutagenic
6232-91-3,COc1ccc2[nH]c(N)nc2c1,non-mutagenic
133830-97-4,CCC1C(=C(C)c2cc(O)ccc12)c3ccc(O)cc3,non-mutagenic
92-93-3,[O-][N+](=O)c1ccc(cc1)c2ccccc2,mutagenic
23445-00-3,COc1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c3C(=O)c4c(O)ccc(O)c4Oc3c1,mutagenic
1146-04-9,CC1=C2C(O)C(C)(C)C=C2C(=O)C(C)(O)C13CC3,mutagenic
106400-44-6,NC(CCS\C(=C\Cl)\Cl)C(=O)O,mutagenic
75584-89-3,CCOC(=O)C[n+]1csc2ccccc12,non-mutagenic
1163-05-9,[O-][n+]1c2ccc3ccccc3c2cc4c5ccccc5ccc14,non-mutagenic
105-58-8,CCOC(=O)OCC,non-mutagenic
153-98-0,NCCc1c[nH]c2ccc(O)cc12,non-mutagenic
6533-68-2,CN1[C@@H]2C[C@@H](C[C@H]1[C@H]3O[C@@H]23)OC(=O)[C@@H](CO)c4ccccc4,non-mutagenic
126222-34-2,CC(C)(C)S(=O)(=O)CC(Cc1ccccc1)C(=O)NC(Cc2c[nH]cn2)C(=O)NC(CC3CCCCC3)C(O)C(O)C4CC4,non-mutagenic
55557-00-1,O=NN1CCCN(CC1)N=O,mutagenic
95050-14-9,[O-][N+](=O)c1cccc2c3cc4cccc5ccc6ccc(c12)c3c6c45,mutagenic
4584-57-0,CN(C)c1ccc(\C=C\c2ccc(cc2)[N+](=O)[O-])cc1,mutagenic
114607-46-4,OC(=O)C(=O)Nc1cccc(c1)c2nn[nH]n2,non-mutagenic
30517-66-9,Oc1cccc2Oc3c4C5CCOC5Oc4cc(O)c3C(=O)c12,non-mutagenic
146795-28-0,COc1ccccc1NC(=O)c2csc(c2)[N+](=O)[O-],mutagenic
202-33-5,C1=Cc2c3ccc4ccccc4c3cc5cccc1c25,mutagenic
645-12-5,OC(=O)c1oc(cc1)[N+](=O)[O-],mutagenic
NOCAS_M286,C1O[C@H]1c2ccccc2,mutagenic
13365-37-2,CN(C)CCCNc1c2ccccc2nc3ccccc13,mutagenic
1456-28-6,CC1CN(CC(C)O1)N=O,mutagenic
29128-23-2,[O-][N+](=O)c1cc(c(c2ccccc2)c(c1)[N+](=O)[O-])[N+](=O)[O-],mutagenic
1613-37-2,[O-][n+]1cccc2ccccc12,non-mutagenic
19770-52-6,C1=Cc2c3ccccc3cc4cc5ccccc5c1c24,mutagenic
76-14-2,FC(F)(Cl)C(F)(F)Cl,non-mutagenic
13849-08-6,CC(C)(O)C1Cc2cc3C=CC(=O)Oc3cc2O1,mutagenic
24245-99-6,[O-][N+](=O)c1ccc2nscc2c1,mutagenic
120-40-1,CCCCCCCCCCCC(=O)N(CCO)CCO,non-mutagenic
145241-75-4,Fc1cc(F)c2ncccc2c1,mutagenic
101821-44-7,NC(=N)c1cc2ccc(Br)cc2[nH]1,non-mutagenic
621-31-8,CCNc1cccc(O)c1,mutagenic
5831-16-3,C[C@@H]1CCc2c1cc(C)c3c2ccc4ccccc34,mutagenic
128753-88-8,COc1cccc2c1OC3(C)OOC23C,mutagenic
6691-68-5,CN(C)CCCNc1c2ccccc2nc3c(cccc13)[N+](=O)[O-],mutagenic
NOCAS_M99,CC[C@@]12O[C@]1(C(=O)OC)C(=O)N[C@]2(C)O,mutagenic
77314-23-9,Cn1c(NO)nc2c3cccnc3ccc12,mutagenic
59-31-4,Oc1ccc2ccccc2n1,non-mutagenic
67199-66-0,Nc1ccc2N=C3N(Cc2c1)C(=O)c4ccccc34,mutagenic
2835-98-5,Cc1ccc(N)c(O)c1,mutagenic
73-24-5,Nc1[nH]cnc2ncnc12,mutagenic
496-72-0,Cc1ccc(N)c(N)c1,mutagenic
NOCAS_M234,O1[C@@H]2[C@H]1c3cc4c(ccc5ccccc45)cc3c6ccccc26,mutagenic
1070-70-8,C=CC(=O)OCCCCOC(=O)C=C,non-mutagenic
13154-57-9,CC(C)(C)OOC1(C)C=C(C(=O)C(=C1)C(C)(C)C)C(C)(C)C,non-mutagenic
5208-87-7,O[C@H](C=C)c1ccc2OCOc2c1,non-mutagenic
39013-93-9,CCN(CCCl)CCCNc1c2ccccc2nc3c1ccc4cccnc34,mutagenic
112077-92-6,CC(=O)ON(C(=O)C)c1ccccc1C,non-mutagenic
124-64-1,OCP(CO)(CO)CO,non-mutagenic
20562-03-2,CC1CCC2C(C)C3C(CC4C5CC=C6CC(CCC6(C)C5CCC34C)OC7OC(CO)C(OC8OC(C)C(O)C(O)C8O)C(O)C7OC9OC(C)C(O)C(O)C9O)N2C1,non-mutagenic
481-49-2,COc1ccc2C[C@H]3N(C)CCc4cc(OC)c(Oc5c6OCOc6cc7CCN(C)[C@@H](Cc8ccc(Oc1c2)cc8)c57)cc34,mutagenic
462-60-2,NC(=O)NCC(=O)O,non-mutagenic
109-83-1,CNCCO,non-mutagenic
1709-39-3,CCN(CC)S(=O)(=O)c1ccc(N)cc1,non-mutagenic
54484-91-2,CC[N+]([O-])(CC)CCn1nc2c3ccc(Cl)cc3Sc4c(CO)ccc1c24,mutagenic
97-54-1,COc1cc(\C=C/C)ccc1O,non-mutagenic
616-40-0,CCN(N)CC,non-mutagenic
60262-87-5,OC1C(Oc2ccc3cc4ccc5cccc6ccc(c3c2)c4c56)OC(C(O)C1O)C(=O)O,non-mutagenic
1633-83-6,O=S1(=O)CCCCO1,mutagenic
57309-38-3,CC1(N(O)c2ccccc2/C/1=N\c3ccccc3)c4ccccc4,non-mutagenic
112653-29-9,OCC(CO)N[C@@H]1C[C@](O)(CO)[C@H](O)[C@@H](O)[C@@H]1O,non-mutagenic
120-78-5,S(Sc1nc2ccccc2s1)c3nc4ccccc4s3,mutagenic
NOCAS_M120,C[C@H]1C[C@H](OC(=O)C)O[C@H](C)O1,mutagenic
13088-34-1,ClC(=C1OC(=O)C=C1)Cl,mutagenic
51-30-9,CC(C)NCC(O)c1ccc(O)c(O)c1,non-mutagenic
17700-09-3,[O-][N+](=O)c1ccc(Cl)c(Cl)c1Cl,mutagenic
29082-75-5,ClC(=Cc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)Cl,non-mutagenic
67-21-0,CCSCC[C@H](N)C(=O)O,non-mutagenic
36504-67-3,C1Cc2c(cc3ccc4cccc5ccc2c3c45)[C@@H]6O[C@H]16,mutagenic
97055-38-4,COC1OC(=O)C(=C1C(Cl)Cl)Cl,mutagenic
65445-61-6,ClC1CCN(CC1)N=O,mutagenic
118-96-7,Cc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],mutagenic
5667-20-9,ONc1[nH]cnc2ncnc12,mutagenic
84-66-2,CCOC(=O)c1ccccc1C(=O)OCC,non-mutagenic
116374-65-3,CN(C)CCCNc1c2ccccc2nc3c(Cl)ccc(c13)[N+](=O)[O-],mutagenic
24496-65-9,c1ccc2c(c1)cc3ccc4cccc5ncc2c3c45,mutagenic
3397-62-4,Nc1nc(N)nc(Cl)n1,non-mutagenic
134-32-7,Nc1cccc2ccccc12,mutagenic
15110-74-4,[O-][N+](=O)c1ccc2c(Cc3cccc(c23)[N+](=O)[O-])c1,mutagenic
501-53-1,ClC(=O)OCc1ccccc1,non-mutagenic
605-94-7,COC1=C(OC)C(=O)C(=CC1=O)C,non-mutagenic
157996-59-3,Nc1c2ccccc2nc3ccc(Br)cc13,mutagenic
72-33-3,COc1ccc2C3CCC4(C)C(CCC4(O)C#C)C3CCc2c1,non-mutagenic
13177-29-2,[O-][N+](=O)c1cc2c3ccccc3c4cccc(c1)c24,mutagenic
29916-56-1,[O-][N+](=O)C1CCCC1,mutagenic
483-65-8,CC(C)c1ccc2c(ccc3c(C)cccc23)c1,non-mutagenic
81424-67-1,CNC(=O)ON(C(=O)C)C(=O)NC,mutagenic
434-13-9,C[C@@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,non-mutagenic
66-75-1,Oc1ncc(N(CCCl)CCCl)c(O)n1,mutagenic
112-70-9,CCCCCCCCCCCCCO,non-mutagenic
162022-89-1,NNc1nncc2ccncc12,mutagenic
102-13-6,CC(C)COC(=O)Cc1ccccc1,non-mutagenic
108171-26-2,CCCCCCCCCCCl,non-mutagenic
14191-22-1,[O-][N+](=O)c1ccc2c(c1)[nH]c3ccccc23,mutagenic
26741-53-7,CC(C)(C)c1ccc(OP2OCC3(COP(Oc4ccc(cc4C(C)(C)C)C(C)(C)C)OC3)CO2)c(c1)C(C)(C)C,non-mutagenic
15386-58-0,Clc1ccc(cc1Cl)N2C(=O)CCC2=O,non-mutagenic
75-36-5,CC(=O)Cl,non-mutagenic
2402-77-9,Clc1cccnc1Cl,mutagenic
33229-34-4,OCCNc1ccc(cc1[N+](=O)[O-])N(CCO)CCO,mutagenic
518-82-1,Cc1cc(O)c2C(=O)c3c(O)cc(O)cc3C(=O)c2c1,mutagenic
523-66-0,COc1ccc2c(OC)c3ccoc3nc2c1,mutagenic
22608-53-3,COP(=O)(SC)SC,non-mutagenic
111-77-3,COCCOCCO,non-mutagenic
771-97-1,Nc1cc2ccccc2cc1N,mutagenic
56257-59-1,Oc1ccc2c3C(C4OC4C(=O)c13)C5(O)CCC(=O)c6c(O)ccc2c56,mutagenic
77-81-6,CCOP(=O)(C#N)N(C)C,non-mutagenic
345667-02-9,CC(C)(C)c1ccc(cc1)c2ccc(NO)cc2,mutagenic
115-86-6,O=P(Oc1ccccc1)(Oc2ccccc2)Oc3ccccc3,non-mutagenic
NOCAS_M201,OC[C@H]1CO1,mutagenic
610-15-1,NC(=O)c1ccccc1[N+](=O)[O-],mutagenic
57011-48-0,OC(CN=N#N)CN=N#N,mutagenic
194590-84-6,COCCN(CCOC)c1cc(NC(=O)C)c(cc1OC)n2nc3c(Br)cc(N)c(Cl)c3n2,mutagenic
159092-84-9,[O-][N+](=O)c1ccc2cc(c3ccc(cc3c2c1)[N+](=O)[O-])[N+](=O)[O-],mutagenic
939-99-1,FC(F)(F)c1ccc(CCl)cc1,non-mutagenic
70-30-4,Oc1c(Cl)cc(Cl)c(Cl)c1Cc2c(O)c(Cl)cc(Cl)c2Cl,non-mutagenic
28622-66-4,OC1C=Cc2c(ccc3ccccc23)C1O,mutagenic
20268-52-4,Clc1c2ccccc2cc3c1ccc4ccccc34,mutagenic
14064-58-5,COc1cccc(\C=C\c2ccc(cc2)[N+](=O)[O-])c1,mutagenic
128349-98-4,CC(\C=C(\C#N)/c1ccc(Br)cc1)C(C(C#N)c2ccc(Br)cc2)c3ccccc3,non-mutagenic
5709-68-2,Cn1c(nc2ccccc12)[N+](=O)[O-],mutagenic
NOCAS_M283,BrC[C@H]1CO1,mutagenic
68268-12-2,CCN(C(=O)CCCCl)c1snc2ccccc12,non-mutagenic
98499-59-3,CSCNc1ccccc1,mutagenic
134998-77-9,[O-][N+](=O)c1cc2cccc3c4ccccc4c5cccc1c5c23,mutagenic
627-11-2,ClCCOC(=O)Cl,non-mutagenic
67019-22-1,CC(C)C(=O)Nc1snc2ccccc12,non-mutagenic
77376-01-3,CC(=O)OCc1ccccc1[N+](=O)[O-],non-mutagenic
7227-91-0,CN(C)N=Nc1ccccc1,mutagenic
2578-75-8,CC(=O)Nc1nnc(s1)c2oc(cc2)[N+](=O)[O-],mutagenic
82389-34-2,O=C(C1OC1c2ccc(cc2)c3ccccc3)c4ccccc4,non-mutagenic
6428-94-0,Oc1ccc(N=Nc2ccc(cc2)[N+](=O)[O-])c(O)c1,non-mutagenic
38848-76-9,CCCCCCCCCCCCCC(=O)[N-][N+](C)(C)CC(C)O,non-mutagenic
115664-51-2,Oc1ccc2ccc3ccc(c4c5ccccc5c1c2c34)[N+](=O)[O-],mutagenic
55520-40-6,NC(Cc1ccc(O)cc1)C(=O)O,non-mutagenic
77109-49-0,COC(=O)C(CSCCBr)NC(=O)C,mutagenic
135-73-9,BrCC(=O)c1ccc(cc1)c2ccccc2,mutagenic
19213-10-6,CC(=O)CC(=O)Nc1ccc(O)cc1,non-mutagenic
86854-03-7,O=C1c2ccccc2c3ccc4ccc5ccccc5c4c13,non-mutagenic
79748-81-5,COC(=O)\C(=C\C)\C=C(/C)\C=C(/C)\C=C\C=C(/C)\C(=O)[C@@]12O[C@@H]1[C@](O)(CCO)NC2=O,mutagenic
123098-37-3,CC(=O)N1CNC(=O)N(C(=O)C)C1=O,non-mutagenic
61477-94-9,CC1CCCC(C)N1CCCC(O)(c2ccccc2)c3ccccn3,non-mutagenic
54567-09-8,OCCN(CCO)c1ccc(cc1)N=Nc2ccc(cc2C#N)[N+](=O)[O-],mutagenic
1088-11-5,Clc1ccc2NC(=O)CN=C(c3ccccc3)c2c1,non-mutagenic
13360-61-7,CCCCCCCCCCCCCC=C,non-mutagenic
90745-27-0,Cc1cccc2cccc(c12)[N+](=O)[O-],mutagenic
142-46-1,NC(=S)NNC(=S)N,non-mutagenic
6530-27-4,ONc1ccc(cc1)N=Nc2ccccc2,mutagenic
NOCAS_M259,CC(C)(C)CCCCCC(=O)OC[C@H]1CO1,mutagenic
134-58-7,Nc1nc(O)c2[nH]nnc2n1,non-mutagenic
59405-72-0,CCCCOc1ccc(cn1)N=Nc2ccc(cc2)N(CC)CC,mutagenic
98447-34-8,CCCC(=O)Nc1snc2cc(Cl)ccc12,non-mutagenic
115314-17-5,[O-][N+](=O)c1cccc(c1)S(=O)(=O)OC[C@H]2CO2,mutagenic
7300-59-6,NC(CCC(=O)Nc1ccc(cc1)[N+](=O)[O-])C(=O)O,non-mutagenic
478-43-3,OC(=O)c1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1,mutagenic
110-54-3,CCCCCC,non-mutagenic
58718-48-2,[O-][N+](=O)c1cccc2nc3cccc(c3nc12)[N+](=O)[O-],mutagenic
103393-72-2,ClCc1ccc2c3cccc4cccc(c2c1)c34,mutagenic
598-38-9,OCC(Cl)Cl,mutagenic
159714-86-0,CCc1c2C3NC3c4ccccc4c2cc5ccccc15,mutagenic
92-31-9,CN(C)c1ccc2nc3cc(C)c(N)cc3[s+]c2c1,mutagenic
108529-37-9,CC(=O)Nc1nc2c3cccnc3ccc2n1C,mutagenic
78-59-1,CC1=CC(=O)CC(C)(C)C1,non-mutagenic
6382-01-0,N[C@@H](CCC(=O)O)C(=O)O,non-mutagenic
22089-22-1,ClCCN(CCCl)P1(=O)OCCCN1CCCl,mutagenic
18234-46-3,CC(=O)OCc1cocc2c(C=O)ccc12,mutagenic
111712-51-7,CC(C)(Br)C(Br)CCl,non-mutagenic
32959-60-7,Cc1ccccc1c2oc3ccccc3n2,non-mutagenic
52-28-8,COc1ccc2C[C@@H]3[C@@H]4C=C[C@H](O)[C@H]5Oc1c2[C@]45CCN3C,non-mutagenic
937-40-6,CN(Cc1ccccc1)N=O,mutagenic
NOCAS_M173,[O-][N+](=O)c1ccc2ccc3cccc4[C@H]5O[C@H]5c1c2c34,mutagenic
42794-87-6,Nc1c(F)cc(cc1F)c2cc(F)c(N)c(F)c2,mutagenic
85-82-5,Cc1cc(C)cc(c1)N=Nc2c(O)ccc3ccccc23,non-mutagenic
77191-36-7,Cc1cccc(C)c1NC(=O)CN2CCCC2=O,non-mutagenic
NOCAS_M381,CC(=CCC[C@@](C)(O)C=C)C,non-mutagenic
91575-28-9,CC(=O)Nc1ccc(Cc2ccc(N)c(Cl)c2)cc1Cl,mutagenic
2221-41-2,COc1ccc2nc3occc3c(OC)c2c1,mutagenic
22008-60-2,CSCCC(NC=O)C(=O)NC(Cc1ccccc1)C(=O)O,non-mutagenic
53-70-3,c1ccc2c(c1)ccc3cc4c(ccc5ccccc45)cc23,mutagenic
105708-79-0,CC(=O)OCc1ccc2ccc3cccc4ccc1c2c34,mutagenic
113163-23-8,C1Cc2c(ccc3cccnc23)C4OC14,non-mutagenic
151-50-8,[C-]#N,non-mutagenic
83-66-9,COc1c(c(C)c(cc1C(C)(C)C)[N+](=O)[O-])[N+](=O)[O-],non-mutagenic
6473-13-8,Nc1ccc(N=Nc2ccc3cc(c(N=Nc4ccc(Nc5ccc(cc5S(=O)(=O)O)N=Nc6c(O)c7cc(ccc7cc6S(=O)(=O)O)N=Nc8ccc(N)cc8N)cc4)c(O)c3c2)S(=O)(=O)O)c(N)c1,mutagenic
101126-65-2,[O-][N+](=O)c1c(Cl)c(Cl)c2Oc3c(Cl)c(Cl)ccc3Oc2c1Cl,mutagenic
32534-81-9,Brc1ccc(Oc2cc(Br)c(Br)cc2Br)c(Br)c1,non-mutagenic
612-22-6,CCc1ccccc1[N+](=O)[O-],non-mutagenic
2912-62-1,ClC(C(=O)Cl)c1ccccc1,mutagenic
1197-55-3,Nc1ccc(CC(=O)O)cc1,mutagenic
13889-92-4,CCCSC(=O)Cl,mutagenic
4245-76-5,CNC(=N)N[N+](=O)[O-],mutagenic
1934-20-9,Oc1ccc2cc(ccc2c1N=Nc3ccccc3)S(=O)(=O)O,non-mutagenic
24279-91-2,COC(COC(=O)N)C1=C(N2CC2)C(=O)C(=C(N3CC3)C1=O)C,mutagenic
128753-95-7,COCC12OOC1(C)c3ccccc3O2,mutagenic
126420-93-7,Brc1ccc(CN2C3C2c4ccccc4c5ccccc35)cc1,mutagenic
110-88-3,C1OCOCO1,non-mutagenic
7085-55-4,CC1OC(OCC2OC(OC3=C(Oc4cc(OCCO)cc(O)c4C3=O)c5ccc(OCCO)c(OCCO)c5)C(O)C(O)C2O)C(O)C(O)C1O,non-mutagenic
63018-94-0,Cc1ccc2c(C)c3ccccc3c(C)c2c1,mutagenic
14346-19-1,Nc1snc2ccc(cc12)[N+](=O)[O-],mutagenic
81407-76-3,C\C=C\C1=CC(=O)C23CC2C(C)(C)OC3(O)C1=O,mutagenic
NOCAS_M470,FC(F)(F)[C@H](Cl)Br,non-mutagenic
112-24-3,NCCNCCNCCN,mutagenic
60-11-7,CN(C)c1ccc(cc1)N=Nc2ccccc2,mutagenic
5786-21-0,CN1CCN(CC1)C2=Nc3cc(Cl)ccc3Nc4ccccc24,non-mutagenic
NOCAS_M288,C=CCCCC[C@H]1CO1,mutagenic
109-76-2,NCCCN,non-mutagenic
62690-96-4,C1CC=C2C(C1)CCc3ccccc23,mutagenic
616-72-8,Cc1cc(C)c(cc1[N+](=O)[O-])[N+](=O)[O-],mutagenic
612-12-4,ClCc1ccccc1CCl,non-mutagenic
111380-10-0,Cn1cnc(c1c2ccccc2)[N+](=O)[O-],non-mutagenic
4612-63-9,Cc1cc2Cc3ccccc3c2cc1C,non-mutagenic
2508-20-5,O=Nc1ccc2c(Cc3ccccc23)c1,mutagenic
4947-27-7,Cc1ccc2C(=O)c3ccccc3C(=O)c2c1Nc4ccccc4,mutagenic
101-80-4,Nc1ccc(Oc2ccc(N)cc2)cc1,mutagenic
81-25-4,CC(CCC(=O)O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12C,mutagenic
13107-39-6,Cc1ccc(cc1)[C@@H]2CO2,mutagenic
81-63-0,Oc1c2C(=N)CCC(=N)c2c(O)c3ccccc13,mutagenic
6385-62-2,C1C[n+]2ccccc2c3cccc[n+]13,non-mutagenic
59-67-6,OC(=O)c1cccnc1,non-mutagenic
2303-16-4,CC(C)N(C(C)C)C(=O)SC\C(=C\Cl)\Cl,mutagenic
37571-88-3,OC1C(O)c2cc3ccccc3c4ccc5cccc1c5c24,mutagenic
115453-71-9,NC(CS\C=C\Cl)C(=O)O,mutagenic
37574-48-4,Oc1cc2cc3ccccc3c4ccc5cccc1c5c24,mutagenic
1445-69-8,O=C1NNC(=O)c2ccccc12,non-mutagenic
17024-18-9,[O-][N+](=O)c1ccc2c(ccc3ccccc23)c1,mutagenic
548-42-5,CN1CC(=C[C@@H]2[C@H]1Cc3c[nH]c4cccc2c34)C,mutagenic
99520-58-8,Oc1ccc2c3ccc4ccc5cccc6cc(c2c1)c3c4c56,mutagenic
51868-46-3,COc1cc(N=Nc2c(Br)cc(cc2[N+](=O)[O-])[N+](=O)[O-])c(NC(=O)C)cc1N(CC=C)CC=C,mutagenic
92-84-2,N1c2ccccc2Sc3ccccc13,non-mutagenic
193-54-4,C1=Cc2ccc3c4ccccc4c5ccc1c2c35,mutagenic
53693-66-6,CCN(CC)c1ccc(cc1)c2ccc(cc2)c3ccc(cc3)N(CC)CC,mutagenic
224-42-0,c1ccc2c(c1)ccc3nc4ccc5ccccc5c4cc23,mutagenic
586-78-7,[O-][N+](=O)c1ccc(Br)cc1,mutagenic
107-06-2,ClCCCl,mutagenic
17070-45-0,COc1ccc2nc3cc(Cl)ccc3c(NCCCNCCCl)c2c1,mutagenic
43218-55-9,CCN(CC)CCn1nc2ccc(C)c3c4ccc(Cl)cc4Sc1c23,mutagenic
86640-16-6,COc1cc2nc3ccccc3c(O)c2cc1OC,mutagenic
215226-71-4,C\C(=C(\Cl)/C(=O)O)\C=O,mutagenic
103-76-4,OCCN1CCNCC1,non-mutagenic
316-14-3,Cc1cc2ccccc2c3cc4ccccc4cc13,mutagenic
52748-34-2,O=CC1C=COC=C1,non-mutagenic
758-17-8,CN(N)C=O,non-mutagenic
619-80-7,NC(=O)c1ccc(cc1)[N+](=O)[O-],mutagenic
107-92-6,CCCC(=O)O,non-mutagenic
68-26-8,C\C(=C\CO)\C=C/C=C(/C)\C=C/C1=C(C)CCCC1(C)C,mutagenic
2611-82-7,Oc1ccc2cc(cc(c2c1N=Nc3ccc(c4ccccc34)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O,non-mutagenic
61166-04-9,Cn1c2ccccc2c3cc(N)ccc13,mutagenic
123-77-3,NC(=O)N=NC(=O)N,mutagenic
594-72-9,CC(Cl)(Cl)[N+](=O)[O-],mutagenic
1955-45-9,CC1(C)COC1=O,mutagenic
59-30-3,Nc1nc(O)c2nc(CNc3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O)cnc2n1,non-mutagenic
97-02-9,Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],mutagenic
112-57-2,NCCNCCNCCNCCN,mutagenic
97284-34-9,Oc1ncc2ccc3cccc4ccc1c2c34,non-mutagenic
4648-33-3,COc1ccc(\C=C\c2ccc(cc2)[N+](=O)[O-])cc1,mutagenic
131862-21-0,CN(C)CCNC(=O)c1cccn2cc(nc12)c3ccccc3,mutagenic
72273-04-2,C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](CC[C@]34C)OC(=O)COc5ccc(cc5)N(CCCl)CCCl)[C@@H]1CCC(=O)N2,mutagenic
81-07-2,O=C1NS(=O)(=O)c2ccccc12,non-mutagenic
4426-50-0,C[C@H]1CCOS(=O)(=O)O1,mutagenic
146795-38-2,[O-][N+](=O)c1cc(cs1)C(=O)Nc2ccc(Cl)cc2,mutagenic
NOCAS_M491,CCCC[C@@H](CC)COC(=O)CCCCC(=O)OC[C@H](CC)CCCC,non-mutagenic
51576-10-4,CC(=O)OC12CCC3[C@](CCC4[C@@]3(C)CCC[C@@]4(C)C(=O)O)(CC1=C)C2,non-mutagenic
613-65-0,CN(C)c1ccc(cc1)N=Nc2ccc3ccccc3c2,mutagenic
3031-73-0,COO,mutagenic
NOCAS_M317,N[C@@H](CSCc1ccccc1)C(=O)O,non-mutagenic
9006-42-2,SC(=N\C=C\N=C(S)S)S,non-mutagenic
88266-67-5,C[C@@H](O)[C@H](NC(=O)[C@@H](C)[C@H](O)[C@H](C)NC(=O)[C@@H](NC(=O)c1nc(nc(N)c1C)[C@H](CC(=O)N)NC[C@H](N)C(=O)N)[C@@H](O[C@@H]2O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]2O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](OC(=O)N)[C@@H]3O)c4c[nH]cn4)C(=O)NCCc5nc(cs5)c6nc(cs6)C(=O)NCCCN(C)CCC(N(C)c7ccc(OCc8ccccc8)c(OCc9ccccc9)c7)N(C)c%10ccc(OCc%11ccccc%11)c(OCc%12ccccc%12)c%10,mutagenic
24325-70-0,Cc1ccc(\C=C\c2ccc(cc2)[N+](=O)[O-])cc1,mutagenic
59820-43-8,OCCN(CCO)c1ccc(cc1O)[N+](=O)[O-],mutagenic
69657-88-1,CN(C)c1ccc(N(C)C)c2C(=O)c3c(O)ccc(O)c3C(=O)c12,mutagenic
138805-31-9,CC(=O)Nc1cc(ccc1C)N=Nc2ccc(C)c(NC(=O)C)c2,non-mutagenic
115781-41-4,Cn1c(NS(=O)(=O)O)nc2c3nc(CO)cnc3ccc12,non-mutagenic
16423-19-1,CC1CCCC2(C)CCCCC12O,non-mutagenic
6041-94-7,Oc1c(cc2ccccc2c1N=Nc3cc(Cl)ccc3Cl)C(=O)Nc4ccccc4,mutagenic
23045-12-7,Cc1ccc2nc3ccccc3c(N)c2c1,mutagenic
146177-63-1,Cn1c(N)nc2c1ccc3nc(c4ccccc4)c(nc23)c5ccccc5,non-mutagenic
76-38-0,COC(F)(F)C(Cl)Cl,non-mutagenic
97931-39-0,[O-][N+](=O)c1c2CCc3cccc4ccc(c5ccccc15)c2c34,mutagenic
298-12-4,OC(=O)C=O,mutagenic
14861-17-7,Nc1ccc(Oc2ccc(Cl)cc2Cl)cc1,mutagenic
1338-23-4,CC(=O)CCOOCCC(=O)C,non-mutagenic
519-73-3,c1ccc(cc1)C(c2ccccc2)c3ccccc3,non-mutagenic
4097-22-7,Nc1ncnc2c1ncn2[C@@H]3CC[C@H](CO)O3,mutagenic
72782-13-9,CN(Cc1ccc(cc1)C(=O)O)N=O,non-mutagenic
18810-04-3,NC(CCCCNCC(N)C(=O)O)C(=O)O,non-mutagenic
96910-71-3,CC1(C)CC2C3(C)CC3(C=O)C(=CC2(O)C1)C=O,mutagenic
90-13-1,Clc1cccc2ccccc12,mutagenic
366-70-1,CNNCc1ccc(cc1)C(=O)NC(C)C,non-mutagenic
59702-31-7,CCN1CCNC(=O)C1=O,non-mutagenic
86-57-7,[O-][N+](=O)c1cccc2ccccc12,mutagenic
555-68-0,OC(=O)\C=C\c1cccc(c1)[N+](=O)[O-],mutagenic
87812-99-5,[O-][N+](=O)c1cccc2oc3ccccc3c12,mutagenic
58-55-9,CN1C(=O)N(C)c2[nH]cnc2C1=O,non-mutagenic
33685-60-8,[O-][N+](=O)c1c2ccccc2c(c3ccccc13)[N+](=O)[O-],non-mutagenic
571-60-8,Oc1ccc(O)c2ccccc12,mutagenic
62-73-7,COP(=O)(OC)OC=C(Cl)Cl,mutagenic
121-54-0,CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1,non-mutagenic
191-26-4,c1cc2ccc3cc4cccc5ccc6cc(c1)c2c3c6c45,mutagenic
142184-78-9,O1C2C3OC3c4ncccc4C12,non-mutagenic
94-13-3,CCCOC(=O)c1ccc(O)cc1,non-mutagenic
50700-49-7,CC(=O)N=C1C=CC(=O)C=C1,non-mutagenic
811-97-2,FCC(F)(F)F,non-mutagenic
116-71-2,O=C1c2ccccc2c3ccc4c5ccc6c7ccccc7C(=O)c8ccc(c9ccc1c3c49)c5c68,mutagenic
626-43-7,Nc1cc(Cl)cc(Cl)c1,non-mutagenic
14098-44-3,C1COCCOc2ccccc2OCCOCCO1,non-mutagenic
59282-34-7,COc1cc(c(O)c(c1)C(C)(C)C)[N+](=O)[O-],non-mutagenic
31430-15-6,COC(=O)Nc1nc2cc(ccc2[nH]1)C(=O)c3ccc(F)cc3,non-mutagenic
29752-43-0,COc1cc(O)c2C(=O)OC3(C)CC(O)C(O)C=C3c2c1,non-mutagenic
117661-13-9,[O-][N+]1=C2C=CC(=O)C=C2\C(=N/c3ccccc3)\C1(c4ccccc4)c5ccccc5,non-mutagenic
125974-06-3,OC1OC(=O)C=C1CCl,mutagenic
173216-43-8,CC(CCN=N#N)c1ccccc1,mutagenic
19315-64-1,CCOc1ccc(cc1)N(O)C(=O)C,mutagenic
56355-17-0,CC(C(=O)O)c1ccc(Oc2nccs2)cc1,non-mutagenic
79-09-4,CCC(=O)O,non-mutagenic
73747-10-1,CCOC(=O)c1ccc(cc1)N(O)C=O,non-mutagenic
542-85-8,CCN=C=S,non-mutagenic
233-88-5,c1cnc2c(c1)ccc3cc[nH]c23,non-mutagenic
NOCAS_M277,OO[C@@H]1CCCc2ccccc12,mutagenic
513-31-5,BrCC(=C)Br,mutagenic
50-35-1,O=C1CCC(N2C(=O)c3ccccc3C2=O)C(=O)N1,non-mutagenic
552-16-9,OC(=O)c1ccccc1[N+](=O)[O-],mutagenic
452-86-8,Cc1ccc(O)c(O)c1,non-mutagenic
26761-40-0,CC(C)CCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC(C)C,non-mutagenic
145-39-1,Cc1c(C)c(c(c(c1C)[N+](=O)[O-])C(C)(C)C)[N+](=O)[O-],non-mutagenic
108-42-9,Nc1cccc(Cl)c1,non-mutagenic
139953-97-2,CC\C=C\C=C\C=C\C=C\C=C\OCC(C)O,mutagenic
23246-96-0,C\C=C/1\CC(=C)[C@](O)(CO)C(=O)OCC2=CCN3CC[C@H](OC1=O)[C@@H]23,mutagenic
116-83-6,COc1ccc(N)c2C(=O)c3ccccc3C(=O)c12,mutagenic
101-59-7,Nc1ccc(Sc2ccc(cc2)[N+](=O)[O-])cc1,mutagenic
21794-55-8,COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O)c4c(O)c3C(=O)c12)C(=O)C,mutagenic
4648-54-8,C[Si](C)(C)N=N#N,mutagenic
20930-10-3,CC#CC(OC(=O)NC1CCCCC1)(c2ccccc2)c3ccccc3,mutagenic
603-35-0,c1ccc(cc1)P(c2ccccc2)c3ccccc3,non-mutagenic
10335-79-2,ONC(=O)c1ccc2ccccc2c1,mutagenic
63655-40-3,Nc1nc2cc(ccc2[nH]1)C#N,mutagenic
128753-83-3,CC12OOC1Oc3ccccc23,mutagenic
15950-66-0,Oc1ccc(Cl)c(Cl)c1Cl,non-mutagenic
481-74-3,Cc1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1,mutagenic
150445-97-9,[O-][N+](=O)c1cccc(CO\N=C\c2nc3cc(ccc3n2Cc4ccc(Cl)cc4)[N+](=O)[O-])c1,non-mutagenic
112380-30-0,CCCCN(N=O)\C(=N\O)\C=O,mutagenic
100-15-2,CNc1ccc(cc1)[N+](=O)[O-],mutagenic
NOCAS_M17,C(CC[C@H]1CO1)C[C@H]2CO2,mutagenic
590-86-3,CC(C)CC=O,non-mutagenic
132832-27-0,OC1C2OC2c3c(ccc4c5ccccc5c6ccccc6c34)C1O,mutagenic
60516-11-2,CC(=O)Nc1ccc(Nc2ccc(cc2)[N+](=O)[O-])cc1,mutagenic
67-63-0,CC(C)O,non-mutagenic
74-87-3,CCl,mutagenic
461-72-3,O=C1CNC(=O)N1,non-mutagenic
81-61-8,Oc1ccc2C(=O)c3c(O)ccc(O)c3C(=O)c2c1O,mutagenic
NOCAS_M257,COC[C@H]1CO1,mutagenic
98982-99-1,COc1ccc(CN(CC[N+](C)(C)[O-])c2ccccn2)cc1,non-mutagenic
27758-60-7,Cc1ccc(cc1)N(N)c2ccc(C)cc2,mutagenic
168010-55-7,Cc1cc(cc(C)n1)c2cc3N(C4CC4)C5=CC(=O)NC(=O)N5c3cc2F,mutagenic
79-11-8,OC(=O)CCl,non-mutagenic
51483-39-7,ClCC(Br)CCl,mutagenic
117467-28-4,CO\N=C(/C(=O)NC1C2SCC(=C(N2C1=O)C(=O)OCOC(=O)C(C)(C)C)\C=C\c3scnc3C)\c4csc(N)n4,non-mutagenic
145438-97-7,CN(N=O)C(=O)c1c(ncn1C)N(C)N=O,mutagenic
203-33-8,c1ccc2c(c1)c3cccc4cc5ccccc5c2c34,mutagenic
146795-31-5,Cc1ccccc1NC(=O)c2csc(c2)[N+](=O)[O-],mutagenic
62-55-5,CC(=N)S,non-mutagenic
148193-33-3,COc1nsc2cc(N)ccc12,mutagenic
88-75-5,Oc1ccccc1[N+](=O)[O-],non-mutagenic
103139-94-2,Cc1cnc2c(C)cc3c(nc(N)n3C)c2n1,mutagenic
4309-66-4,Nc1ccc(\C=C\c2ccccc2)cc1,mutagenic
24684-42-2,Cc1cc2CCC(=O)c2c3ccc4ccccc4c13,mutagenic
120014-85-9,OC1CCCc2c1cc3ccc4ccc(c5ccc2c3c45)[N+](=O)[O-],mutagenic
2984-50-1,CCCCCCC1CO1,non-mutagenic
226-36-8,c1ccc2c(c1)ccc3nc4c(ccc5ccccc45)cc23,mutagenic
563-41-7,NNC(=O)N,non-mutagenic
129134-96-9,CC1CC2C(Cc3cn(C4CCCC4)c5cccc2c35)N(C)C1,mutagenic
135086-97-4,Nn1nnc2c3ccccc3nc2c1O,mutagenic
138245-74-6,OCC(O)C(O)C(O)C(O)CN=N#N,mutagenic
59-87-0,NC(=O)N\N=C\c1oc(cc1)[N+](=O)[O-],mutagenic
139953-79-0,C1N(\N=C\c2ccc(Oc3ccccc3)cc2)N=Nc4c1[nH]c5ccccc45,non-mutagenic
108618-28-6,Nc1ccc(\C=C\c2cccc(c2)C#N)cc1,mutagenic
106063-42-7,COc1cc(O)ccc1Nc2c3ccccc3nc4ccccc24,mutagenic
71382-46-2,Cc1c2C3NC3c4ccccc4c2c(C)c5ccccc15,mutagenic
91-64-5,O=C1Oc2ccccc2C=C1,mutagenic
23590-58-1,Clc1nncc2ncccc12,non-mutagenic
50285-71-7,CCN(N=O)C(=O)N(C)C,mutagenic
40580-89-0,O=NN1CCCCCCCCCCCC1,mutagenic
97629-28-2,Cc1c(C)c(N)c(cc1N)[N+](=O)[O-],mutagenic
62783-50-0,CN(Cc1ccc(C)cc1)N=O,non-mutagenic
82414-02-6,Cc1ccc(cc1N=O)[N+](=O)[O-],mutagenic
87-62-7,Cc1cccc(C)c1N,mutagenic
99-52-5,Cc1cc(ccc1N)[N+](=O)[O-],mutagenic
42017-89-0,CC(C)(Oc1ccc(cc1)C(=O)c2ccc(Cl)cc2)C(=O)O,non-mutagenic
2687-41-4,CC(=O)Nc1ccc(Oc2ccc(N)cc2)cc1,mutagenic
100-63-0,NNc1ccccc1,mutagenic
1210-35-1,O=C1c2ccccc2CCc3ccccc13,non-mutagenic
75-64-9,CC(C)(C)N,non-mutagenic
108-31-6,O=C1OC(=O)C=C1,non-mutagenic
96918-24-0,o1ccc2c1cc3ccc4cccc5ccc2c3c45,mutagenic
611-32-5,Cc1cccc2cccnc12,mutagenic
137-89-3,CCCC[C@H](CC)COC(=O)c1cccc(c1)C(=O)OC[C@@H](CC)CCCC,non-mutagenic
79526-11-7,C1OC1Oc2ccccc2,mutagenic
1948-33-0,CC(C)(C)c1cc(O)ccc1O,non-mutagenic
7224-61-5,COc1cc2c(CC3c4c(CC[N+]3(C)C)cc(OC)c(O)c24)cc1O,non-mutagenic
108670-78-6,CC\C=C\C=C\C=C\C=C\OCC(O)CO,mutagenic
105361-86-2,O=Nc1cccc(c1)c2ccccc2,mutagenic
68268-11-1,CCN(C(=O)CCCl)c1snc2ccccc12,mutagenic
145679-85-2,Cc1cc2CCCc2c3ccc4C(O)C(O)C5OC5c4c13,mutagenic
479-92-5,CC(C)C1=C(C)N(C)N(C1=O)c2ccccc2,non-mutagenic
150-60-7,C(SSCc1ccccc1)c2ccccc2,mutagenic
135-49-9,Cc1cc2cc3cc(C)c(N)cc3nc2cc1N,mutagenic
88598-56-5,[O-][N+](=O)c1ccc2ccc3cc4CCCCc4c5ccc1c2c35,mutagenic
60784-46-5,OCCNC(=O)N(CCCl)N=O,mutagenic
18137-96-7,[CH2-][N+](=O)[O-],non-mutagenic
5042-54-6,Cc1cc(N=Nc2ccccc2)c(N)cc1N,mutagenic
125-31-5,Cc1cc(c(C)cc1O)C2(OS(=O)(=O)c3ccccc23)c4cc(C)c(O)cc4C,non-mutagenic
2080-32-2,CCN(CC)S(=O)(=O)c1ccc(NC(=O)C)cc1,non-mutagenic
65-61-2,CN(C)c1ccc2cc3ccc(cc3nc2c1)N(C)C,mutagenic
117-05-5,Clc1cccc2C(=O)c3c(NC(=O)c4ccccc4)cccc3C(=O)c12,mutagenic
69322-61-8,OC(=O)C1CC=C(OP2(NP(NP(N2)(Oc3ccc(cc3)C(=O)O)Oc4ccc(cc4)C(=O)O)(Oc5ccc(cc5)C(=O)O)Oc6ccc(cc6)C(=O)O)Oc7ccc(cc7)C(=O)O)C=C1,non-mutagenic
9014-90-8,CCCCCCCCCc1ccccc1C(CO)OS(=O)(=O)O,non-mutagenic
842-19-3,Oc1ccc2cc(cc(c2c1)S(=O)(=O)O)S(=O)(=O)O,non-mutagenic
75-47-8,IC(I)I,mutagenic
74-97-5,ClCBr,mutagenic
2784-27-2,Oc1ccc(cc1)C2(NC(=O)NC2=O)c3ccccc3,non-mutagenic
91991-22-9,CCCCC(=O)Nc1snc2ccc(Cl)cc12,non-mutagenic
36840-85-4,C=CC(=O)OCCCCCOC(=O)C=C,non-mutagenic
316-42-7,CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@H]2C[C@H]1C[C@H]4NCCc5cc(OC)c(OC)cc45,non-mutagenic
120-37-6,CCNc1cc(O)ccc1C,mutagenic
70644-19-8,Cc1ccc2cc3ccc4cccc5ccc(c2c1)c3c45,mutagenic
120-72-9,c1ccc2[nH]ccc2c1,non-mutagenic
150-78-7,COc1ccc(OC)cc1,non-mutagenic
NOCAS_M256,O=NN1CCC[C@@H]1c2cccnc2,mutagenic
111-87-5,CCCCCCCCO,non-mutagenic
3209-22-1,[O-][N+](=O)c1cccc(Cl)c1Cl,non-mutagenic
3675-13-6,O=C\C=C\C=O,mutagenic
95-54-5,Nc1ccccc1N,mutagenic
52171-92-3,Cc1cccc2c1cc(C)c3c4ccccc4ccc23,mutagenic
132742-05-3,[O-][N+](=O)c1c2CCC=Cc2c3ccc4cccc5ccc1c3c45,non-mutagenic
21626-89-1,O=C1N2Cc3ccccc3C(=O)N2Cc4ccccc14,non-mutagenic
38178-41-5,[O-][N+](=O)c1ccc2Oc3ccccc3Oc2c1,mutagenic
1072-43-1,CC1CS1,non-mutagenic
36050-09-6,NC(=O)c1csc(c1)[N+](=O)[O-],mutagenic
66-71-7,c1cnc2c(c1)ccc3cccnc23,non-mutagenic
16683-64-0,C1=Cc2c3cc4ccccc4cc3cc5cccc1c25,mutagenic
107-01-7,C\C=C\C,non-mutagenic
59901-91-6,O[C@H]([C@@H]1CO1)c2ccc3OCOc3c2,mutagenic
93673-31-5,O1C2C1c3c4ccc5ccccc5c4cc6cccc2c36,mutagenic
24367-94-0,CC(=O)Nc1ccc(Cc2ccc(N)cc2)cc1,non-mutagenic
14088-71-2,OC(C1CC1)(c2ccc(Cl)cc2)c3ccc(Cl)cc3,non-mutagenic
30747-87-6,[O-][N+](=O)c1ccc2snc(Cl)c2c1,mutagenic
94223-88-8,[O-][N+](=O)c1ccc2nc3c(cc2c1)c4cccc5cccc3c45,mutagenic
90-44-8,O=C1c2ccccc2Cc3ccccc13,mutagenic
5131-60-2,Nc1ccc(Cl)c(N)c1,mutagenic
372-48-5,Fc1ccccn1,mutagenic
577-33-3,Oc1ccc2c(O)c3ccccc3cc2c1O,mutagenic
3070-86-8,CC(=O)Nc1ccc(Oc2ccc(NC(=O)C)cc2)cc1,non-mutagenic
137-05-3,COC(=O)C(=C)C#N,mutagenic
52671-42-8,O=Nc1ccc(Oc2ccccc2)cc1,mutagenic
98-95-3,[O-][N+](=O)c1ccccc1,non-mutagenic
463-58-1,O=C=S,mutagenic
142628-08-8,NC(CSC(F)(F)C(Cl)Br)C(=O)O,mutagenic
NOCAS_M492,C[C@@H](O)CN(C[C@@H](C)O)C[C@@H](C)O,non-mutagenic
2449-49-2,CC(N(C)C)c1ccccc1,non-mutagenic
NOCAS_M192,COC[C@@H](O)Cn1cc(nc1Cl)[N+](=O)[O-],mutagenic
159092-85-0,[O-][N+](=O)c1ccc2c(cc3cccc(c3c2c1)[N+](=O)[O-])[N+](=O)[O-],mutagenic
33804-48-7,CN(C)c1ccc(cc1)N=Nc2ccc(cc2)N(C)C(=O)C,mutagenic
107673-67-6,[O-][N+](=O)C1=Cc2cccc3c4cc5ccccc5cc4cc1c23,mutagenic
NOCAS_M479,CCCC[C@@H](CC)COC(=O)c1ccccc1C(=O)O,non-mutagenic
26049-71-8,NNc1nc(cs1)c2ccc(N)cc2,mutagenic
17683-09-9,Cc1ccc(NN=NCc2ccccc2)cc1,mutagenic
78113-36-7,CCCCCCCCCCCCCCCCCC(=O)NCCCCC(NC(=O)CCC(NC(=O)C(C)NC(=O)C(C)OC(C(O)C(O)CO)C(NC(=O)C)C=O)C(=O)N)C(=O)O,non-mutagenic
NOCAS_M91,C[C@H]1CO1,mutagenic
220042-15-9,OC1=C\C(=N/c2ccc(cc2)[N+](=O)[O-])\C(=O)C=C1c3nnc(NC(=O)c4ccccc4)s3,mutagenic
606-20-2,Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-],mutagenic
13098-39-0,FC(F)(F)C(=O)C(F)(F)F,non-mutagenic
2164-17-2,CN(C)C(=O)Nc1cccc(c1)C(F)(F)F,non-mutagenic
37350-58-6,COCCc1ccc(OCC(O)CNC(C)C)cc1,non-mutagenic
26651-23-0,OS(=O)(=O)c1ccc2ccc3cccc4ccc1c2c34,mutagenic
64371-62-6,CC1(CO1)c2ccc(cc2)c3ccccc3,mutagenic
87-56-9,OC(=O)\C(=C(/Cl)\C=O)\Cl,mutagenic
142-62-1,CCCCCC(=O)O,non-mutagenic
33857-26-0,Clc1ccc2Oc3cc(Cl)ccc3Oc2c1,non-mutagenic
99-30-9,Nc1c(Cl)cc(cc1Cl)[N+](=O)[O-],mutagenic
50-34-0,CC(C)[N+](C)(CCOC(=O)C1c2ccccc2Oc3ccccc13)C(C)C,non-mutagenic
84-54-8,Cc1ccc2C(=O)c3ccccc3C(=O)c2c1,non-mutagenic
54818-87-0,CC(=O)Nc1ccc(Sc2ccccc2)cc1,mutagenic
92887-88-2,CN(CCC#N)c1ccc(cc1)N=Nc2ccc3ncsc3c2,mutagenic
72-55-9,ClC(=C(c1ccc(Cl)cc1)c2ccc(Cl)cc2)Cl,non-mutagenic
55792-21-7,CCCCCCCOc1ccccc1NC(=O)OCCN2CCCCC2,non-mutagenic
2923-68-4,OC(=O)C(F)(F)C(F)(Cl)C(F)(F)C(F)(Cl)C(F)(F)C(F)(Cl)C(F)(F)Cl,non-mutagenic
1229-55-6,COc1ccccc1N=Nc2c(O)ccc3ccccc23,mutagenic
1707-31-9,ON(C=O)c1ccc2ccccc2c1,mutagenic
1192-62-7,CC(=O)c1occc1,mutagenic
13360-63-9,CCCCNCC,non-mutagenic
13177-28-1,[O-][N+](=O)c1ccc2cccc3c4ccccc4c1c23,mutagenic
5381-78-2,Cn1cnc2cc(ccc12)[N+](=O)[O-],non-mutagenic
86-26-0,COc1ccccc1c2ccccc2,non-mutagenic
108-83-8,CC(C)CC(=O)CC(C)C,non-mutagenic
1774-66-9,Brc1ccc(\C=C\C(=O)c2ccccc2)cc1,non-mutagenic
1635-63-8,CNP1(NC)NP(NC)(NC)NP(NC)(NC)N1,non-mutagenic
13024-49-2,Nc1ccc(CCc2ccccc2)cc1,mutagenic
79642-33-4,CCOC(=O)Nc1cccc2c3c[nH]ccc3nc12,non-mutagenic
96563-11-0,CC1c2ccccc2c3ccc(F)cc13,mutagenic
129-44-2,Nc1cccc2C(=O)c3c(N)cccc3C(=O)c12,mutagenic
6109-97-3,CCn1c2ccccc2c3cc(N)ccc13,mutagenic
125157-97-3,CC1C2C(=Nc3ccccc23)N(C)c4c(C)cccc14,mutagenic
2475-46-9,CNc1ccc(NCCO)c2C(=O)c3ccccc3C(=O)c12,mutagenic
51938-21-7,CCCCN(CCC(=O)OC)N=O,mutagenic
1635-61-6,Nc1cc(Cl)ccc1[N+](=O)[O-],mutagenic
10312-83-1,COCC=O,mutagenic
53757-29-2,Cc1nc(cs1)c2oc(cc2)[N+](=O)[O-],mutagenic
7227-92-1,CN(C)N=Nc1ccc(cc1)[N+](=O)[O-],mutagenic
3096-64-8,Cc1ccc(C)c(NO)c1,mutagenic
NOCAS_M281,N1[C@@H]2[C@H]1c3c(ccc4ccccc34)c5ccccc25,mutagenic
101-25-7,O=NN1CN2CN(CN(C2)N=O)C1,mutagenic
181256-48-4,NNc1nc2ccc3nc4ccccc4c(O)c3c2s1,mutagenic
NOCAS_M74,OC(=O)[C@@H](Cl)Br,mutagenic
5694-00-8,NC(=O)C1CO1,mutagenic
21340-68-1,COC(=O)C(C)(C)Oc1ccc(cc1)c2ccc(Cl)cc2,non-mutagenic
581-64-6,Nc1ccc2nc3ccc(N)cc3[s+]c2c1,mutagenic
31551-45-8,[O-][N+](=O)c1ccc2c3ccc(cc3C(=O)c2c1)[N+](=O)[O-],mutagenic
17413-41-1,COc1cccc2c1cc3N([C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(=O)c5cc6OCOc6c2c35,non-mutagenic
616-91-1,CC(=O)N[C@@H](CS)C(=O)O,mutagenic
160637-29-6,CC1=Cc2nc3c(ccc4ccccc34)c(C)c2C(O)C1O,mutagenic
544-16-1,CCCCON=O,mutagenic
1129-52-8,ClC[C@@H]1O[C@H](CCl)O[C@H](CCl)O1,mutagenic
580-21-2,Fc1ccc2ccccc2n1,non-mutagenic
92-54-6,C1CN(CCN1)c2ccccc2,non-mutagenic
1634-04-4,COC(C)(C)C,non-mutagenic
158729-31-8,CN(C)CCNS(=O)(=O)c1cccc2cccnc12,non-mutagenic
548-83-4,OC1=C(Oc2cc(O)cc(O)c2C1=O)c3ccccc3,non-mutagenic
1806-29-7,Oc1ccccc1c2ccccc2O,non-mutagenic
120-14-9,COc1ccc(C=O)cc1OC,non-mutagenic
623-25-6,ClCc1ccc(CCl)cc1,non-mutagenic
130005-62-8,Cc1cc(N)c(C)c2c3cc(O)ccc3[nH]c12,mutagenic
155164-58-2,Cc1ccc(cc1)S(=O)(=O)N2N=CC(=C(Cl)C2=O)Cl,non-mutagenic
36239-01-7,CN(COC(=O)C)[N+](=O)[O-],mutagenic
389104-57-8,CC(C)c1c(N)ccc2c1Cc3ccccc23,mutagenic
17057-98-6,CC1c2ccccc2c3cccc(C)c13,mutagenic
55-63-0,[O-][N+](=O)OCC(CO[N+](=O)[O-])O[N+](=O)[O-],mutagenic
115-90-2,CCOP(=S)(OCC)Oc1ccc(cc1)S(=O)C,non-mutagenic
131229-60-2,CCCCON(OC(=O)C)C(=O)c1ccc(OC)cc1,mutagenic
NOCAS_M423,Br[C@@H]1CC[C@H](Br)[C@H](Br)CC[C@@H](Br)[C@@H](Br)CC[C@H]1Br,non-mutagenic
6755-13-1,CN(C)C(=O)\C=C\c1oc(cc1)[N+](=O)[O-],mutagenic
4533-39-5,CN(C)CCCNc1c2ccccc2nc3cccc(c13)[N+](=O)[O-],mutagenic
15131-84-7,O1C2C1c3c(ccc4ccccc34)c5ccccc25,mutagenic
13171-21-6,CCN(CC)C(=O)\C(=C(\C)/OP(=O)(OC)OC)\Cl,mutagenic
87619-82-7,NC(CS\C(=C(/Cl)\C(=C(Cl)Cl)Cl)\Cl)C(=O)O,mutagenic
114231-14-0,COc1cc(OC)c(Cl)c(c1)N2C(=CC(=O)C(=C2c3ccc(F)cc3)C)c4ccccc4,non-mutagenic
194479-75-9,Cc1ccc2nc3ccc(C)cc3c(N)c2c1,mutagenic
431-63-0,FC(F)C(F)C(F)(F)F,non-mutagenic
149396-91-8,Cc1ccc(c(O)c1C(O)c2ncc([N+](=O)[O-])n2C)C(C)(C)C,non-mutagenic
7220-79-3,CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C,mutagenic
127072-58-6,CC\C=C\C=C\C=C\C=C\C=C\C=C\OCC(O)CO,mutagenic
143922-99-0,CC(=O)Nc1cccc(N=Nc2cccc(NC(=O)C)c2C)c1C,non-mutagenic
96-31-1,CNC(=O)NC,non-mutagenic
NOCAS_M359,CCCC[C@@H](CC)COCCC#N,non-mutagenic
173106-65-5,CC1(C)CC(C(=O)NCCCCCCCCCCCC(=O)O)C(C)(C)N1O,non-mutagenic
27343-29-9,Cc1cc2C(=O)CCCc2c3ccc4ccccc4c13,mutagenic
121-33-5,COc1cc(C=O)ccc1O,non-mutagenic
80-39-7,CCNS(=O)(=O)c1ccc(C)cc1,non-mutagenic
4553-62-2,C[C@H](CCC#N)C#N,mutagenic
3340-94-1,Cc1c2ccccc2nc3c1ccc4ccccc34,mutagenic
80734-02-7,CC1=C(COC(=O)C2N3C(SC2(C)C)C(NC(=O)C(N)c4ccccc4)C3=O)OC(=O)O1,non-mutagenic
26091-73-6,CC1(C)OC1COc2c3C=CC(=O)Oc3cc4occc24,non-mutagenic
50-47-5,CNCCCN1c2ccccc2CCc3ccccc13,non-mutagenic
20983-67-9,[O-][N+](=O)c1ccc(Nc2ccc(Cl)cc2)cc1,mutagenic
103124-62-5,CCOC(=O)C(=NNc1ccc(cc1)c2ccc(NN=C(C(=O)OCC)C(=O)OCC)cc2)C(=O)OCC,non-mutagenic
488-23-3,Cc1ccc(C)c(C)c1C,non-mutagenic
112725-15-2,CN(N=O)C(OC(=O)C)C(=O)C,mutagenic
107673-66-5,[O-][N+](=O)C1=Cc2cc3cc4ccccc4cc3c5cccc1c25,mutagenic
41267-76-9,CC1=CC(=O)Oc2c3CCCN4CCCc(cc12)c34,mutagenic
3736-59-2,Oc1cc2C(=O)c3ccccc3C(=O)c2c(O)c1C=O,non-mutagenic
55028-70-1,CCCCCC(C)(O)\C=C\C1C(O)CC(=O)C1C\C=C\CCCC(=O)O,non-mutagenic
103-90-2,CC(=O)Nc1ccc(O)cc1,non-mutagenic
509-14-8,[O-][N+](=O)C([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-],mutagenic
108283-48-3,CC(C)(C)OC(=O)NC(CN=N#N)C(=O)OC(C)(C)C,mutagenic
123447-62-1,CC1SC2=C(C(=O)O)C(=O)c3cc(F)c(cc3N12)N4CCN(CC5=C(C)OC(=O)O5)CC4,non-mutagenic
1877-73-2,OC(=O)Cc1cccc(c1)[N+](=O)[O-],non-mutagenic
527-53-7,Cc1cc(C)c(C)c(C)c1,non-mutagenic
60-35-5,CC(=O)N,non-mutagenic
215226-70-3,OC(=O)\C(=C(/CCl)\C=O)\Cl,mutagenic
155164-63-9,CC(=O)N1N=CC(=C(Cl)C1=O)Cl,non-mutagenic
98447-32-6,ClCC(=O)Nc1snc2cc(Cl)ccc12,mutagenic
117-18-0,[O-][N+](=O)c1c(Cl)c(Cl)cc(Cl)c1Cl,non-mutagenic
NOCAS_M61,CC(C)(C)c1ccc(OC[C@H]2CO2)cc1,mutagenic
63408-86-6,ONc1cc2ccccc2[nH]1,mutagenic
146177-61-9,Cc1cnc2c(n1)c(C)c(C)c3c2nc(N)n3C,mutagenic
61034-40-0,CC1CN(CC(C)N1C(=O)c2ccccc2)N=O,non-mutagenic
98-33-9,Cc1cc(ccc1N)S(=O)(=O)O,non-mutagenic
478-06-8,OC(=O)c1c(O)cc2C(=O)c3ccccc3C(=O)c2c1O,non-mutagenic
97629-64-6,Cc1cc(N)c(c(C)c1N)[N+](=O)[O-],non-mutagenic
75-65-0,CC(C)(C)O,non-mutagenic
91991-23-0,CC(C)CC(=O)Nc1snc2ccc(Cl)cc12,non-mutagenic
NOCAS_M86,CC(=C[C@H]1[C@H](C(=O)OCN2C(=O)C3=C(CCCC3)C2=O)C1(C)C)C,mutagenic
57166-92-4,NCN,mutagenic
2550-75-6,ClCC1C(CCl)C2(Cl)C(=C(Cl)C1(Cl)C2(Cl)Cl)Cl,non-mutagenic
643-22-1,CC[C@@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@@H](C)O2)[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@@H]([C@H]3O)N(C)C)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O,non-mutagenic
112-34-5,CCCCOCCOCCO,non-mutagenic
32766-75-9,CCCCCCCCCCCCCC(=O)N(O)c1ccc2c(Cc3ccccc23)c1,mutagenic
5412-25-9,OP(=O)(OCC(Br)CBr)OCC(Br)CBr,mutagenic
67-47-0,OCc1oc(C=O)cc1,mutagenic
114460-38-7,Cn1ccc2ccc3ccc4ccc(O)cc4c3c12,mutagenic
6422-86-2,CCCCC(CC)COC(=O)c1ccc(cc1)C(=O)OCC(CC)CCCC,non-mutagenic
NOCAS_M18,C[C@@H](O)CN,mutagenic
81593-15-9,ClN1C2C1c3ccccc3c4ccccc24,mutagenic
146-59-8,CCN(CCCl)CCCNc1c2ccc(Cl)cc2nc3ccc(OC)cc13,mutagenic
957-52-8,ClCc1ccc2c3ccccc3c4cccc1c24,mutagenic
82017-48-9,CC1(C)SSCC(NC1=O)C(=O)O,non-mutagenic
86607-81-0,[O-][N+](=O)c1cccc2c1oc3ccccc23,mutagenic
7220-81-7,COc1cc2OC3OCCC3c2c4OC(=O)C5=C(CCC5=O)c14,mutagenic
122-04-3,[O-][N+](=O)c1ccc(cc1)C(=O)Cl,mutagenic
57775-29-8,CC(C)NCC(O)COc1cccc2[nH]c3ccccc3c12,non-mutagenic
143-50-0,ClC1(Cl)C2(Cl)C3(Cl)C4(Cl)C(=O)C5(Cl)C(Cl)(C1(Cl)C35Cl)C24Cl,non-mutagenic
90-02-8,Oc1ccccc1C=O,non-mutagenic
53797-18-5,OC[C@H]1O[C@@H](Oc2cccc3C(=O)c4cccc(O)c4C(=O)c23)[C@H](O)[C@@H](O)[C@@H]1O,mutagenic
621-33-0,CCOc1cccc(N)c1,mutagenic
NOCAS_M501,CCOC[C@@H](O)COc1ccc(NC(=O)CC[S+](C)C)cc1,non-mutagenic
117-39-5,OC1=C(Oc2cc(O)cc(O)c2C1=O)c3ccc(O)c(O)c3,mutagenic
4513-36-4,CC(C)(C)COC(=O)C=C,non-mutagenic
60564-31-0,Nc1cc2c(cc1[N+](=O)[O-])[nH]c3ccccc23,mutagenic
129-15-7,Cc1ccc2C(=O)c3ccccc3C(=O)c2c1[N+](=O)[O-],mutagenic
95-77-2,Oc1ccc(Cl)c(Cl)c1,non-mutagenic
103-50-4,C(OCc1ccccc1)c2ccccc2,non-mutagenic
NOCAS_M266,Cc1ccc(CC[C@H]2CO2)cc1,mutagenic
132769-75-6,OC1C2OC2c3c(ccc4ccc5c6ccccc6ccc5c34)C1O,mutagenic
552-30-7,OC(=O)c1ccc2C(=O)OC(=O)c2c1,non-mutagenic
5776-38-5,C[n+]1c2ccccc2c(N)c3ccccc13,mutagenic
117760-92-6,O[C@@H]1C=Cc2c([C@H]1O)c3ccc4ccccc4c3cc2[N+](=O)[O-],mutagenic
4450-68-4,Cc1ccc(cc1)S(=O)(=O)OCc2ccc(cc2)[N+](=O)[O-],mutagenic
90811-87-3,O=C(\C=C\c1ccc(Oc2ccccc2)cc1)c3ccccc3,non-mutagenic
120-71-8,COc1ccc(C)cc1N,mutagenic
592-41-6,CCCCC=C,non-mutagenic
841-18-9,CC(=O)Nc1ccc(\C=C/c2ccccc2)cc1,mutagenic
76-12-0,FC(Cl)(Cl)C(F)(Cl)Cl,mutagenic
557-48-2,CC\C=C\CC\C=C\C=O,non-mutagenic
114416-29-4,OC1C=Cc2c(ccc3ncccc23)C1O,non-mutagenic
NOCAS_M169,CCCC[C@@H](CC)COC[C@H]1CO1,mutagenic
479-13-0,Oc1ccc2c(OC(=O)c3c2oc4cc(O)ccc34)c1,non-mutagenic
92-59-1,CCN(Cc1ccccc1)c2ccccc2,non-mutagenic
72-43-5,COc1ccc(cc1)C(c2ccc(OC)cc2)C(Cl)(Cl)Cl,non-mutagenic
NOCAS_M171,CCCCN(C[C@@H](O)C1=CC(=[N+]=[N-])C(=O)C=C1)N=O,mutagenic
87-66-1,Oc1cccc(O)c1O,mutagenic
77-78-1,COS(=O)(=O)OC,mutagenic
18463-85-9,CN(C)c1ccc(cc1)N=Nc2ccc3ncsc3c2,mutagenic
530-50-7,NN(c1ccccc1)c2ccccc2,non-mutagenic
96337-40-5,CCN=[N+](C)[O-],non-mutagenic
141511-30-0,[O-][N+](=O)c1ccc2c(CCc3cc4c(CCc5ccccc45)cc23)c1,mutagenic
80-47-7,C[C@@H]1CC[C@H](CC1)C(C)(C)OO,mutagenic
505-70-4,OC(=O)\C=C\C=C\C(=O)O,non-mutagenic
109910-98-7,OC1C(O)c2cc3cc(ccc3cc2CC1=O)[N+](=O)[O-],non-mutagenic
110-46-3,CC(C)CCON=O,mutagenic
3081-61-6,CCNC(=O)CCC(N)C(=O)O,non-mutagenic
25152-84-5,CCCCC\C=C/C=C\C=O,non-mutagenic
816-57-9,CCCN(N=O)C(=O)N,mutagenic
112-62-9,CCCCCCCC\C=C/CCCCCCCC(=O)OC,non-mutagenic
367-25-9,Nc1ccc(F)cc1F,mutagenic
393-75-9,[O-][N+](=O)c1cc(cc(c1Cl)[N+](=O)[O-])C(F)(F)F,non-mutagenic
81789-85-7,CC(C)NCC(O)COc1cccc2CC=Cc12,non-mutagenic
218-19-9,c1ccc2c(c1)ccc3c2ccc4cccnc34,mutagenic
68267-98-1,CN(C(=O)CCl)c1snc2ccccc12,non-mutagenic
120-62-7,CCCCCCCCS(=O)[C@H](C)Cc1ccc2OCOc2c1,non-mutagenic
1070-66-2,CCCCC(=C)C=O,mutagenic
139-65-1,Nc1ccc(Sc2ccc(N)cc2)cc1,mutagenic
54150-69-5,COc1ccc(N)c(OC)c1,mutagenic
127-19-5,CN(C)C(=O)C,non-mutagenic
58209-98-6,COc1cc2O[C@H]3OC=C[C@H]3c2c4OC(=O)C5=C([C@@H](Cl)[C@@H](Cl)C5=O)c14,mutagenic
114454-59-0,OC1C(O)c2ccc(c3c4ccccc4c5cccc1c5c23)[N+](=O)[O-],mutagenic
82298-37-1,OC1C(Oc2cccc3c4ccc5cccc6ccc(cc23)c4c56)OC(C(O)C1O)C(=O)O,non-mutagenic
27591-97-5,CCN(CC)CCOc1ccc2c(c1)C(=O)c3cc(OCCN(CC)CC)ccc23,mutagenic
17455-13-9,C1COCCOCCOCCOCCOCCO1,non-mutagenic
1634-78-2,CCOC(=O)C[C@@H](SP(=O)(OC)OC)C(=O)OCC,non-mutagenic
8003-22-3,O=C1C(C(=O)c2ccccc12)c3ccc4ccccc4n3,mutagenic
64-19-7,CC(=O)O,non-mutagenic
119631-00-4,Cc1ccc(cc1N)N=Nc2ccc(C)c(N)c2,mutagenic
77-47-4,ClC1=C(Cl)C(Cl)(Cl)C(=C1Cl)Cl,non-mutagenic
121-44-8,CCN(CC)CC,non-mutagenic
77061-07-5,BrCc1cccc2c3cccc4cccc(c12)c34,mutagenic
133762-79-5,Nc1nc(N)c2ncn(CC(O)CN=N#N)c2n1,mutagenic
3173-53-3,O=C=NC1CCCCC1,non-mutagenic
13048-33-4,C=CC(=O)OCCCCCCOC(=O)C=C,non-mutagenic
148193-38-8,O=C1N(CC2CO2)Sc3cc(OCC4CO4)ccc13,mutagenic
94-20-2,CCCNC(=O)NS(=O)(=O)c1ccc(Cl)cc1,non-mutagenic
123-08-0,Oc1ccc(C=O)cc1,non-mutagenic
2179-59-1,CCCSSCC=C,non-mutagenic
60905-56-8,OC(Nc1snc2ccccc12)C(Cl)(Cl)Cl,non-mutagenic
28860-95-9,CC(Cc1ccc(O)c(O)c1)(NN)C(=O)O,mutagenic
1163-19-5,Brc1c(Br)c(Br)c(Oc2c(Br)c(Br)c(Br)c(Br)c2Br)c(Br)c1Br,non-mutagenic
88-23-3,Nc1cc(Cl)cc(c1O)S(=O)(=O)O,non-mutagenic
193-40-8,c1ccc2c(c1)c3nc4ccccc4c5c6ccccc6nc2c35,non-mutagenic
287-92-3,C1CCCC1,non-mutagenic
76-01-7,ClC(Cl)C(Cl)(Cl)Cl,non-mutagenic
70853-94-0,Cc1ccc(NO)c(C)c1,mutagenic
624-92-0,CSSC,non-mutagenic
524-15-2,COc1cccc2c(OC)c3ccoc3nc12,mutagenic
526-73-8,Cc1cccc(C)c1C,mutagenic
55256-49-0,Oc1cccc2Oc3cc4OC5OC=CC5c4c(O)c3C(=O)c12,non-mutagenic
NOCAS_M368,N[C@H](Cc1ccc(F)cc1)C(=O)O,non-mutagenic
126637-65-8,NC(CSC(F)(F)C(Br)Br)C(=O)O,mutagenic
476-66-4,Oc1cc2C(=O)Oc3c(O)c(O)cc4C(=O)Oc(c1O)c2c34,non-mutagenic
171866-15-2,C[C@@H]1O[C@@H](O[C@H]2C[C@](O)(CO)Cc3c(O)c4C(=O)c5ccccc5C(=O)c4c(O)c23)[C@H](I)[C@H](O)[C@@H]1O,mutagenic
56525-94-1,COc1nncc2cccnc12,non-mutagenic
54779-53-2,Cc1c2ccncc2c(C)c3c4cc(N)ccc4[nH]c13,mutagenic
6449-35-0,COc1cc(ccc1N=Nc2cc(c3ccccc3c2O)S(=O)(=O)O)c4ccc(N=Nc5c(O)c6ccc(N)cc6cc5S(=O)(=O)O)c(OC)c4,mutagenic
133762-85-3,CSc1ncnc2c1ncn2CC(O)CN=N#N,mutagenic
61-25-6,COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC,non-mutagenic
54-91-1,BrCCC(=O)N1CCN(CC1)C(=O)CCBr,mutagenic
1141-35-1,Clc1ccc(cc1)c2oc3ccccc3n2,non-mutagenic
108-93-0,OC1CCCCC1,non-mutagenic
28166-06-5,[O-][N+](=O)c1cc(ccc1F)N=N#N,mutagenic
475-80-9,OC(=O)c1cc2OCOc2c3c4ccccc4cc(c13)[N+](=O)[O-],mutagenic
4444-68-2,CCCCN(CC)CC,non-mutagenic
97-86-9,CC(C)COC(=O)C(=C)C,non-mutagenic
13014-18-1,Clc1ccc(c(Cl)c1)C(Cl)(Cl)Cl,mutagenic
56892-33-2,Oc1cc2c3ccccc3cc4ccc5cccc1c5c24,mutagenic
122088-20-4,O[C@H]1C=Cc2ccc3nc4ccc5ccccc5c4cc3c2[C@@H]1O,mutagenic
99152-10-0,CC(C)C(NC(=O)C)C(=O)N(CC(=O)O)N=O,mutagenic
119-75-5,[O-][N+](=O)c1ccccc1Nc2ccccc2,non-mutagenic
120-83-2,Oc1ccc(Cl)cc1Cl,non-mutagenic
55556-88-2,C[C@@H]1CN(N=O)[C@@H](C)CN1N=O,mutagenic
122-01-0,ClC(=O)c1ccc(Cl)cc1,non-mutagenic
118-58-1,Oc1ccccc1C(=O)OCc2ccccc2,non-mutagenic
56120-28-6,OS(=O)(=O)c1ccc(NN=Nc2ccc(cc2)S(=O)(=O)O)cc1,non-mutagenic
645-45-4,ClC(=O)CCc1ccccc1,mutagenic
951-80-4,Nc1ccc2c(N)c3ccccc3nc2c1,mutagenic
7097-60-1,NCC(=O)NCC(=O)NCC(=O)NCC(=O)O,non-mutagenic
56600-58-9,CCc1ccc2C(=O)c3ccccc3C(=O)c2c1[N+](=O)[O-],mutagenic
431-89-0,FC(C(F)(F)F)C(F)(F)F,non-mutagenic
10474-14-3,CC(Br)(CCl)CBr,non-mutagenic
538-41-0,Nc1ccc(cc1)N=Nc2ccc(N)cc2,mutagenic
102-01-2,CC(=O)CC(=O)Nc1ccccc1,non-mutagenic
193-39-5,c1ccc2c(c1)c3ccc4ccc5cccc6cc2c3c4c56,mutagenic
146795-37-1,[O-][N+](=O)c1cc(cs1)C(=O)Nc2ccccc2F,mutagenic
138835-33-3,[O-][N+](=O)c1ccc2ccc3c4c(ccc1c24)c5ccccc5[n+]3[O-],mutagenic
146795-41-7,[O-][N+](=O)c1cc(cs1)C(=O)Nc2ccc(Br)cc2,mutagenic
110-57-6,ClC\C=C\CCl,mutagenic
53-94-1,ONc1ccc2c(Cc3ccccc23)c1,mutagenic
95-46-5,Cc1ccccc1Br,non-mutagenic
1517-05-1,OCCN=N#N,mutagenic
624-18-0,Nc1ccc(N)cc1,mutagenic
37850-99-0,CC(=O)c1c(O)cc(O)c2C(=O)c3c(O)cc(O)cc3C(=O)c12,non-mutagenic
885-82-5,Oc1ccc(cc1[N+](=O)[O-])c2ccccc2,non-mutagenic
84174-24-3,CN(Cc1ccc(cc1)[N+](=O)[O-])N=O,mutagenic
2475-45-8,Nc1ccc(N)c2C(=O)c3c(N)ccc(N)c3C(=O)c12,mutagenic
576-24-9,Oc1cccc(Cl)c1Cl,non-mutagenic
610-14-0,[O-][N+](=O)c1ccccc1C(=O)Cl,mutagenic
57470-96-9,CCNC(=O)Nc1ccc(OCC(O)CNC(C)(C)C)c(c1)C(=O)C,non-mutagenic
19952-47-7,Nc1nc2c(Cl)cccc2s1,non-mutagenic
82856-97-1,CC(C)c1cc(N)c(cc1N)[N+](=O)[O-],mutagenic
146795-40-6,[O-][N+](=O)c1cc(cs1)C(=O)Nc2ccccc2Cl,mutagenic
99601-30-6,CCn1c(N)nc2c3ncc(C)nc3ccc12,mutagenic
35089-70-4,CCCCCCN(N=O)C(=N)N[N+](=O)[O-],mutagenic
4629-58-7,Nc1ccc(\C=C\c2ccc(cc2)[N+](=O)[O-])cc1,mutagenic
7040-57-5,CC(OP(=O)(C)Cl)C(C)(C)C,non-mutagenic
3602-55-9,CC(C)(C)C1=CC(=O)C=CC1=O,mutagenic
131229-63-5,CCCCON(OC(=O)C)C(=O)c1ccc(Br)cc1,mutagenic
96563-08-5,CC1c2ccccc2c3c(C)cccc13,mutagenic
86827-66-9,Cc1cc2ccccc2c3ccc4C(=O)C(=O)C=Cc4c13,mutagenic
105-59-9,CN(CCO)CCO,non-mutagenic
110-44-1,C\C=C/C=C\C(=O)O,non-mutagenic
549-38-2,C[C@@H]1CCc2c1ccc3c2ccc4ccccc34,mutagenic
583-39-1,Sc1nc2ccccc2[nH]1,non-mutagenic
136196-46-8,[O-][N+](=O)c1ccc(N\N=C(\N=Nc2ccc(I)cc2)/c3ccccc3)cc1,non-mutagenic
142044-39-1,[O-][n+]1cccc2C=CC3OC3c12,non-mutagenic
57309-30-5,ON1c2ccccc2\C(=N/c3ccccc3)\C1(c4ccccc4)c5ccccc5,non-mutagenic
139493-54-2,Cc1ccc2cc(C)c3c4C5OC5C(O)C(O)c4ccc3c2c1,mutagenic
76144-81-5,C[N+](C)(C)NCCC(=O)O,non-mutagenic
105052-38-8,[O-][N+](=O)C1=Cc2cccc3cccc(O1)c23,mutagenic
23511-78-6,BrCCC(Br)Br,mutagenic
137-18-8,CC1=CC(=O)C(=CC1=O)C,non-mutagenic
3054-60-2,Cc1ccc(NC2OC[C@@H](O)[C@H](O)[C@H]2O)cc1,mutagenic
127923-99-3,OC(CC(=O)OCCBr)C(=O)OCCBr,mutagenic
2564-64-9,CC(=O)OCc1c2ccccc2c(C)c3ccc4ccccc4c13,mutagenic
2941-64-2,CCSC(=O)Cl,non-mutagenic
91-66-7,CCN(CC)c1ccccc1,non-mutagenic
485-47-2,OC1(O)C(=O)c2ccccc2C1=O,non-mutagenic
869-01-2,CCCCN(N=O)C(=O)N,mutagenic
28289-54-5,CN1CCC(=CC1)c2ccccc2,non-mutagenic
109143-17-1,[O-][N+](=O)c1oc2cc(ccc2c1)N(CCCl)CCCl,mutagenic
33089-61-1,CN(\C=N\C=N\c1ccc(C)cc1C)c2ccc(C)cc2C,non-mutagenic
60504-57-6,CCC1(O)CC(OC2CC(C(O)C(C)O2)N(C)C)c3c(O)c4C(=O)c5c(O)cccc5C(=O)c4cc3C1C(=O)OC,mutagenic
6358-31-2,COc1ccccc1NC(=O)[C@H](N=Nc2ccc(cc2OC)[N+](=O)[O-])C(=O)C,non-mutagenic
109897-78-1,OC1C=Cc2cc3ccc(cc3cc2C1O)[N+](=O)[O-],mutagenic
89837-94-5,CC(=O)CN(COC(=O)C)N=O,mutagenic
21739-91-3,COc1ccc(cc1)\C(=C/C(=O)O)\Br,mutagenic
108-60-1,C[C@H](CCl)O[C@H](C)CCl,mutagenic
98809-36-0,Cc1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1,non-mutagenic
99-75-2,COC(=O)c1ccc(C)cc1,non-mutagenic
623-17-6,CC(=O)OCc1occc1,mutagenic
25155-25-3,CC(C)(C)OOC(C)(C)c1cccc(c1)C(C)(C)OOC(C)(C)C,non-mutagenic
1709-52-0,CNS(=O)(=O)c1ccc(N)cc1,non-mutagenic
32740-01-5,Cc1cccc2c(C)c3ccc4ccccc4c3nc12,mutagenic
578-54-1,CCc1ccccc1N,non-mutagenic
132172-56-6,O1C=CC=Cc2c1c3ccccc3c4cc5ccccc5cc24,mutagenic
17573-23-8,C1Cc2cc3ccc4cccc5ccc(c2C=C1)c3c45,mutagenic
2491-52-3,[O-][N+](=O)c1ccc(cc1)N=Nc2ccccc2,mutagenic
123-35-3,CC(=CCCC(=C)C=C)C,non-mutagenic
99-12-7,Cc1cc(C)cc(c1)[N+](=O)[O-],mutagenic
81-54-9,Oc1cc(O)c2C(=O)c3ccccc3C(=O)c2c1O,mutagenic
121-79-9,CCCOC(=O)c1cc(O)c(O)c(O)c1,non-mutagenic
494-03-1,ClCCN(CCCl)c1ccc2ccccc2c1,mutagenic
111858-68-5,Cc1ccc(cc1)N(CC2(O)OCC(O)C(O)C2O)N=O,mutagenic
584-84-9,Cc1ccc(cc1N=C=O)N=C=O,mutagenic
920-37-6,ClC(=C)C#N,non-mutagenic
6027-98-1,COc1ccc2c3CCN=C(C)c3[nH]c2c1,non-mutagenic
154028-32-7,COc1cccc(\C=C\c2ccc(N)cc2)c1,mutagenic
13147-25-6,CCN(CCO)N=O,mutagenic
103748-25-0,Cn1c(N)nc2cc(Cl)ccc12,mutagenic
1975-50-4,Cc1c(cccc1[N+](=O)[O-])C(=O)O,mutagenic
118995-83-8,NC(CCC(=O)NC(CSC(=O)NCCCCl)C(=O)NCC(=O)O)C(=O)O,mutagenic
106449-56-3,Nc1nc(O)nc2c1ncn2C3CC(O)C(CO)O3,non-mutagenic
491-36-1,Oc1ncnc2ccccc12,non-mutagenic
14129-84-1,ClC(Cl)C(=C(Cl)Cl)C=O,mutagenic
326-61-4,CC(=O)OCc1ccc2OCOc2c1,non-mutagenic
126572-79-0,OC(=O)\C(=C(\C(Cl)Cl)/C(=O)O)\Cl,mutagenic
481-72-1,OCc1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1,mutagenic
53473-85-1,Nc1ccc2sncc2c1,mutagenic
109875-50-5,Nc1[nH]c(nc2ncnc12)c3ccc(cc3)[N+](=O)[O-],mutagenic
149-30-4,Sc1nc2ccccc2s1,non-mutagenic
35691-65-7,BrC[C@](Br)(CCC#N)C#N,non-mutagenic
1562-94-3,COc1ccc(cc1)N=[N+]([O-])c2ccc(OC)cc2,mutagenic
122-14-5,COP(=S)(OC)Oc1ccc(c(C)c1)[N+](=O)[O-],mutagenic
100-29-8,CCOc1ccc(cc1)[N+](=O)[O-],mutagenic
76547-98-3,NCCCC[C@H](N[C@@H](CCc1ccccc1)C(=O)O)C(=O)N2CCC[C@H]2C(=O)O,non-mutagenic
15721-02-5,Nc1cc(Cl)c(cc1Cl)c2cc(Cl)c(N)cc2Cl,mutagenic
13010-47-4,ClCCN(N=O)C(=O)NC1CCCCC1,mutagenic
3731-39-3,CN(C)c1ccc(cc1)N=Nc2ccccc2C,non-mutagenic
128714-75-0,[O-][N+](=O)c1ccc2ccc3c(c4ccccc4c5ccc1c2c35)[N+](=O)[O-],mutagenic
71400-34-5,[O-][N+](=O)c1ccc2Oc3ccc(cc3Oc2c1)[N+](=O)[O-],mutagenic
151378-34-6,O[C@@H]1[C@@H]2O[C@@H]2c3c(ccc4c5cccc6cccc(c34)c56)[C@H]1O,mutagenic
84-68-4,Nc1ccc(c(Cl)c1)c2ccc(N)cc2Cl,mutagenic
471-80-7,CC12CCCC(C)(C1CCC34CC(=C)C(O)(CCC23)C4)C(=O)O,mutagenic
13676-54-5,O=C1C=CC(=O)N1c2ccc(Cc3ccc(cc3)N4C(=O)C=CC4=O)cc2,non-mutagenic
NOCAS_M549,CCCC[C@H](CC)C(=O)O,non-mutagenic
25155-23-1,Cc1ccc(OP(=O)(Oc2ccc(C)cc2C)Oc3ccc(C)cc3C)c(C)c1,non-mutagenic
69458-17-9,CCCCCCCCCCCCCOC(=O)C[N+](CC)(CC)CC,non-mutagenic
1571-08-0,COC(=O)c1ccc(C=O)cc1,non-mutagenic
122547-49-3,CC(O)C1C2SC(=C(N2C1=O)C(=O)O)C3CCCO3,non-mutagenic
88552-47-0,ClC1=CC(=O)C(Cl)(Cl)C1=O,mutagenic
84807-61-4,CC1(C)CCCC2(C)C1CCC3(C)C2CC=C(C=O)C3C=O,non-mutagenic
1516-73-0,Cn1c(N=N#N)nc2ccccc12,mutagenic
57830-29-2,CN(C)CCN(Cc1ccc(O)cc1)c2ccccn2,non-mutagenic
4825-86-9,CC1Cc2ccc(C(=O)NC(Cc3ccccc3)C(=O)O)c(O)c2C(=O)O1,non-mutagenic
77-92-9,OC(=O)CC(O)(CC(=O)O)C(=O)O,non-mutagenic
58139-52-9,[O-][N+](=O)c1csc(c1)c2csc(NC=O)n2,mutagenic
7779-30-8,CCC(=O)\C=C\C1C(=CCCC1(C)C)C,non-mutagenic
122-66-7,N(Nc1ccccc1)c2ccccc2,mutagenic
104485-01-0,CCCCCOc1cccc(NC(=O)OC2CCCCC2N3CCCC3)c1,non-mutagenic
102-69-2,CCCN(CCC)CCC,non-mutagenic
170660-62-5,ClC(=C1CC(=O)NC1=O)Cl,mutagenic
516-06-3,CC(C)C(N)C(=O)O,non-mutagenic
123-68-2,CCCCCC(=O)OCC=C,non-mutagenic
98-16-8,Nc1cccc(c1)C(F)(F)F,non-mutagenic
93-27-6,COc1cc(ccc1NC(=O)C)[N+](=O)[O-],mutagenic
133331-34-7,CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC4([C@@H]5C[C@@H](Br)CC[C@]5(C)[C@@H]3CC[C@]12C)S(=O)(=O)CCS4(=O)=O,mutagenic
6884-87-3,CNS(=O)(=O)c1ccc(NC(=O)C)cc1,non-mutagenic
30516-87-1,CC1=CN([C@@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)C(=O)NC1=O,mutagenic
120812-50-2,[O-][N+](=O)c1cc(c2c3CCCCc3c4cccc5ccc1c2c45)[N+](=O)[O-],mutagenic
16219-99-1,CN(N=O)c1ccncc1,non-mutagenic
115-53-7,COC1=C[C@@H]2[C@@H]3Cc4ccc(OC)c(O)c4[C@]2(CCN3C)CC1=O,non-mutagenic
116-06-3,CNC(=O)O\N=C/C(C)(C)SC,non-mutagenic
34250-70-9,CC(=O)Nc1snc2ccccc12,mutagenic
106686-68-4,C=CCN(CC=C)C1C(N2C3C2c4ccccc4c5ccccc35)c6ccccc6c7ccccc17,non-mutagenic
122587-20-6,CC(=O)c1oc(c(Cl)c1Cl)[N+](=O)[O-],mutagenic
62960-69-4,CC(O)C(NC(=O)C(C)C(O)C(C)NC(=O)C(NC(=O)c1nc(nc(N)c1C)C(CC(=O)N)NCC(N)C(=O)N)C(OC2OC(CO)C(O)C(O)C2OC3OC(CO)C(O)C(OC(=O)N)C3O)c4c[nH]cn4)C(=O)NCCc5nc(cs5)c6nc(cs6)C(=O)NCCc7c[nH]cn7,mutagenic
146795-35-9,[O-][N+](=O)c1cc(cs1)C(=O)Nc2ccc(F)cc2,mutagenic
215226-74-7,OC(=O)\C(=C(/CCl)\C(=O)O)\Cl,non-mutagenic
708-42-9,CCCNc1snc2ccccc12,non-mutagenic
141691-41-0,Cn1c(N)nc2cc(ccc12)C#N,mutagenic
105427-02-9,O=C(NCc1ccccc1)C2CO2,mutagenic
3034-42-2,Cn1cncc1[N+](=O)[O-],mutagenic
1073-05-8,O=S1(=O)OCCCO1,mutagenic
1878-66-6,OC(=O)Cc1ccc(Cl)cc1,non-mutagenic
99-07-0,CN(C)c1cccc(O)c1,mutagenic
779-03-3,Nc1c2ccccc2cc3ccccc13,mutagenic
98-74-8,[O-][N+](=O)c1ccc(cc1)S(=O)(=O)Cl,mutagenic
579-66-8,CCc1cccc(CC)c1N,mutagenic
1204-72-4,Cc1cc2ccccc2cc1[N+](=O)[O-],non-mutagenic
109527-10-8,CC(=O)OC1COC(Nc2ccc(cc2)[N+](=O)[O-])C(OC(=O)C)C1OC(=O)C,mutagenic
38966-21-1,CC1(CO)C(O)CCC2(C)C1CCC3CC4CC23CCC4(O)CO,non-mutagenic
10264-12-7,CCC(=O)NCc1ccccc1,non-mutagenic
NOCAS_M87,C[C@@H](Cl)CCl,mutagenic
NOCAS_M343,OC(=O)[C@H]1[C@@H](C(=O)O)[C@@]2(Cl)C(=C(Cl)[C@]1(Cl)C2(Cl)Cl)Cl,non-mutagenic
101328-96-5,ClC1(Cl)C(=O)C=CC1=O,mutagenic
24966-35-6,CNC(=O)N(O)C(=O)NC,non-mutagenic
590-17-0,BrCC#N,non-mutagenic
58139-48-3,[O-][N+](=O)c1ccc(s1)c2nc(N3CCOCC3)c4ccccc4n2,mutagenic
107-29-9,C\C=N/O,mutagenic
126420-92-6,Fc1ccc(CN2C3C2c4ccccc4c5ccccc35)cc1,mutagenic
2224-15-9,C(COCC1CO1)OCC2CO2,mutagenic
3567-66-6,Nc1cc(cc2cc(c(N=Nc3ccccc3)c(O)c12)S(=O)(=O)O)S(=O)(=O)O,non-mutagenic
836-30-6,[O-][N+](=O)c1ccc(Nc2ccccc2)cc1,non-mutagenic
2304-83-8,O=C1C=Cc2c(ccc3c2ccc4ccccc34)C1=O,non-mutagenic
6098-45-9,CC(=O)N(OC(=O)c1ccccc1)c2ccc3c(Cc4ccccc34)c2,mutagenic
82085-94-7,NC[C@@H]1CC[C@H](CC1)C(=O)c2ccc(CCC(=O)O)cc2,non-mutagenic
92557-61-4,Cn1cc(CC2(O)C(=O)CC3C(O)COC23O)c4ccccc14,mutagenic
4437-51-8,CCC(=O)C(=O)CC,mutagenic
505-60-2,ClCCSCCCl,mutagenic
110021-94-8,CS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc4ccc(cc24)N=N#N)cc1,mutagenic
13593-03-8,CCOP(=S)(OCC)Oc1cnc2ccccc2n1,non-mutagenic
93-79-8,CCCCOC(=O)COc1cc(Cl)c(Cl)cc1Cl,non-mutagenic
NOCAS_M315,CCCC(=O)Nc1ccc(OC[C@H](O)CNC(C)C)c(c1)C(=O)C,non-mutagenic
51042-51-4,[O-][N+](=O)c1ccc(\C=C\c2cccc(c2)[N+](=O)[O-])cc1,mutagenic
54992-23-3,OC(=O)c1ccc(\C=C\c2oc(cc2)[N+](=O)[O-])cc1,mutagenic
132-86-5,Oc1cc(O)c2ccccc2c1,mutagenic
101-39-3,C\C(=C\c1ccccc1)\C=O,non-mutagenic
114460-40-1,Cc1cc2[nH]c(C)nc2c3c1ccc4ccc(O)cc34,mutagenic
476-43-7,Cc1cc(O)c2C(=O)c3c(O)ccc(O)c3C(=O)c2c1O,mutagenic
22204-53-1,COc1ccc2cc(ccc2c1)C(C)C(=O)O,non-mutagenic
118-08-1,COc1ccc2[C@H](OC(=O)c2c1OC)[C@@H]3N(C)CCc4cc5OCOc5cc34,non-mutagenic
161708-24-3,C\C(=C(\Cl)/C(=O)O)\C(=O)O,non-mutagenic
1570-64-5,Cc1cc(Cl)ccc1O,non-mutagenic
570-74-1,CC(C)CCCC(C)C1CCC2C3CC=C4CCCCC4(C)C3CCC12C,non-mutagenic
31272-21-6,Cc1nn(C)c(N)c1C(=O)c2ccccc2F,mutagenic
943-93-1,C1C\C=C\CCC2OC2CC\C=C/1,non-mutagenic
700-02-7,Nc1c2[nH]cnc2nc[n+]1[O-],mutagenic
565-20-8,CC(=O)Nc1ccc(cc1)S(=O)(=O)c2ccc(N)cc2,non-mutagenic
60223-52-1,COc1ccc2c(c1)c3cc(OC)ccc3c4c5ccc(OC)cc5c6cc(OC)ccc6c24,mutagenic
554-00-7,Nc1ccc(Cl)cc1Cl,mutagenic
557-61-9,CCCCCCCCCCCCCCCCCCCCCCCCCCCCO,non-mutagenic
126-98-7,CC(=C)C#N,non-mutagenic
74-89-5,CN,non-mutagenic
343-94-2,NCCc1c[nH]c2ccccc12,non-mutagenic
1640-39-7,CC1=Nc2ccccc2C1(C)C,non-mutagenic
64894-90-2,CS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc4cc(ccc24)N=N#N)cc1,mutagenic
821-06-7,BrC\C=C/CBr,mutagenic
64188-66-5,CCCCN1C2C1c3ccccc3c4ccccc24,mutagenic
700-86-7,Nc1snc2cc(Cl)ccc12,mutagenic
113359-04-9,CO\N=C(/C(=O)NC1C2SCC(=C(N2C1=O)C(=O)O)C[n+]3ccn4ncccc34)\c5nsc(N)n5,non-mutagenic
NOCAS_M1,CC[C@@H](C)ON=O,mutagenic
4406-41-1,CC(C)C(=O)Nc1ccccc1,non-mutagenic
235760-36-8,Cc1cc(C)c2nsnc2c1[N+](=O)[O-],mutagenic
95-82-9,Nc1cc(Cl)ccc1Cl,non-mutagenic
50385-24-5,[O-][N+](=O)c1ccccc1\C=C\c2ccccn2,mutagenic
98033-25-1,Cc1nc2c(ccc3ccc4ccc(O)cc4c23)n1C,mutagenic
46817-91-8,CCOc1ccccc1OCC2CNCCO2,non-mutagenic
119525-97-2,CCC\C=C\C(=O)OC1C(C)(C)CC2C1(O)C=C(C=O)C34CC23C(=O)OC4O,mutagenic
61740-00-9,COc1cc2O[C@H]3OC=C[C@H]3c2c4OC(=O)C5=C(CC[C@@H]5O)c14,mutagenic
35281-25-5,C1c2ccccc2Cc3c1c4ccccc4c5ccccc35,mutagenic
104527-49-3,OCC12COC(N1C(OC2)c3ccc(cc3)[N+](=O)[O-])c4ccc(cc4)[N+](=O)[O-],mutagenic
85068-73-1,CCN(CCO[N+](=O)[O-])[N+](=O)[O-],mutagenic
528-74-5,CN(Cc1cnc2nc(N)nc(N)c2n1)c3c(Cl)cc(cc3Cl)C(=O)N[C@@H](CCC(=O)O)C(=O)O,non-mutagenic
62625-14-3,Nc1cc(cc(Cl)c1O)[N+](=O)[O-],mutagenic
641-90-7,Cc1cc2C(=O)c3cc(O)cc(O)c3C(=O)c2c(O)c1O,mutagenic
2381-31-9,Cc1cccc2cc3c(ccc4ccccc34)cc12,mutagenic
24684-41-1,Cc1cc2CCCc2c3ccc4ccccc4c13,non-mutagenic
3060-89-7,CON(C)C(=O)Nc1ccc(Br)cc1,non-mutagenic
125579-40-0,CC(=O)c1cc(NC(=O)Nc2ccc(OCC(O)CNC(C)(C)C)c(c2)C(=O)C)ccc1OCC(O)CNC(C)(C)C,non-mutagenic
121-87-9,Nc1ccc(cc1Cl)[N+](=O)[O-],mutagenic
27093-62-5,Cn1c2ccc3ccccc3c2c4c5ccccc5ccc14,mutagenic
612-59-9,Clc1cnc2ccccc2c1,non-mutagenic
298-00-0,COP(=S)(OC)Oc1ccc(cc1)[N+](=O)[O-],mutagenic
7125-53-3,C1CCC2CC3(CCC2C1)CO3,non-mutagenic
71461-13-7,Oc1ccc(cc1)C2Oc3ccc4cc3C2C(=O)N5CCCCNCCCNC4CC(=O)NCCC5,mutagenic
932-53-6,Cc1nnc(O)nc1O,non-mutagenic
134959-57-2,Clc1ccc(COC(=O)c2cccc3cccnc23)c(Cl)c1,non-mutagenic
50-99-7,OCC(O)C(O)C(O)C(O)C=O,non-mutagenic
484-17-3,Oc1cc2ccccc2c3ccccc13,mutagenic
2855-13-2,CC1(C)CC(N)CC(C)(CN)C1,non-mutagenic
111-20-6,OC(=O)CCCCCCCCC(=O)O,non-mutagenic
137-09-7,Nc1ccc(O)c(N)c1,mutagenic
94470-50-5,OC1CCC(O)(CN(N=O)C(C(=O)O)C(=O)O)C(O)C1O,non-mutagenic
87480-50-0,OC1C(O)c2c(Br)c3ccccc3cc2c4ccccc14,non-mutagenic
91549-70-1,CN(C)CCNC(=O)c1ccc2nc3ccccc3c(N)c2c1,non-mutagenic
6285-68-3,Cc1ccc2[nH]c(N)nc2c1,mutagenic
60719-84-8,Nc1cc(cnc1O)c2ccncc2,non-mutagenic
309-00-2,ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]4C[C@H](C=C4)[C@@H]3[C@]1(Cl)C2(Cl)Cl,non-mutagenic
17096-47-8,CN(CCO[N+](=O)[O-])[N+](=O)[O-],mutagenic
59230-81-8,Cc1c2ccccc2c(CBr)c3c1ccc4ccccc34,mutagenic
22349-59-3,Cc1ccc(C)c2c1ccc3ccccc23,mutagenic
105467-77-4,C1CCc2c(C1)ccc3nc4ccc5ccccc5c4cc23,mutagenic
NOCAS_M540,CC(=O)[C@@H](N=Nc1ccc(cc1Cl)c2ccc(N=N[C@H](C(=O)C)C(=O)Nc3ccccc3)c(Cl)c2)C(=O)Nc4ccccc4,non-mutagenic
18691-97-9,CNC(=O)N(C)c1nc2ccccc2s1,non-mutagenic
1728-32-1,COC1=CC=CC=CC1,mutagenic
25057-89-0,CC(C)N1C(=O)c2ccccc2NS1(=O)=O,non-mutagenic
74669-74-2,CC(CN=N#N)c1ccccc1,mutagenic
10159-53-2,NP(=O)(O)N(CCCl)CCCl,mutagenic
55610-00-9,O=C1Nc2cc3ccccc3c4c5OCOc5cc1c24,mutagenic
6237-24-7,CN(C)CCCNc1c2ccccc2nc3cc(ccc13)[N+](=O)[O-],mutagenic
115066-03-0,CCc1cccc2c3CCOC(C)(CC)c3[nH]c12,non-mutagenic
529-20-4,Cc1ccccc1C=O,non-mutagenic
90-33-5,CC1=CC(=O)Oc2cc(O)ccc12,non-mutagenic
67-71-0,CS(=O)(=O)C,non-mutagenic
7090-25-7,CN(N=O)C(=O)Oc1cccc2ccccc12,mutagenic
51461-16-6,Cc1ccc2C(=O)c3c(cccc3[N+](=O)[O-])C(=O)c2c1[N+](=O)[O-],mutagenic
28657-80-9,CCN1N=C(C(=O)O)C(=O)c2cc3OCOc3cc12,mutagenic
6219-89-2,Cc1cc(N)ccc1c2ccc(O)cc2,mutagenic
134959-56-1,Clc1ccc(COC(=O)c2cccc3cccnc23)cc1,non-mutagenic
25148-26-9,Cc1c2ccccc2c(CCl)c3ccccc13,mutagenic
27975-19-5,C[C@@]12CCC3[C@@](CCC4[C@@]3(C)CCC[C@@]4(C)C(=O)O)(CC1=O)C2,non-mutagenic
5385-75-1,c1ccc2c(c1)c3cc4ccccc4c5cc6ccccc6c2c35,mutagenic
143922-98-9,CC(=O)Nc1cccc(N=[N+]([O-])c2cccc(NC(=O)C)c2C)c1C,non-mutagenic
97136-66-8,Cc1ccc(\C=C\c2ccc(N)cc2)cc1,mutagenic
619-15-8,Cc1cc(ccc1[N+](=O)[O-])[N+](=O)[O-],mutagenic
116-29-0,Clc1ccc(cc1)S(=O)(=O)c2cc(Cl)c(Cl)cc2Cl,non-mutagenic
105837-00-1,[O-][N+](=O)c1ccc2nc3ccc(cc3nc2c1)[N+](=O)[O-],mutagenic
506-77-4,ClC#N,non-mutagenic
214-17-5,c1ccc2cc3c(ccc4c5ccccc5ccc34)cc2c1,non-mutagenic
70140-82-8,CC(C)COP(=S)(OCC(C)C)SCCl,non-mutagenic
96918-17-1,[O-][N+](=O)c1oc2c(c1)cc3ccc4cccc5ccc2c3c45,mutagenic
680-31-9,CN(C)P(=O)(N(C)C)N(C)C,non-mutagenic
88598-60-1,OC1C=Cc2cc3ccc4ccc(c5ccc(c2C1O)c3c45)[N+](=O)[O-],mutagenic
17573-21-6,Oc1ccc2cc3ccc4cccc5ccc(c2c1)c3c45,mutagenic
623-15-4,CC(=O)\C=C\c1occc1,non-mutagenic
2489-77-2,CNC(=S)N(C)C,non-mutagenic
83621-06-1,C\C(=C(\OCCOc1ccc(Cl)cc1)/c2ccc(Cl)cc2Cl)\n3ccnc3,non-mutagenic
160637-30-9,Cc1ccc2c(C)c3ccc4C(O)C(O)C=Cc4c3nc2c1,mutagenic
84-61-7,O=C(OC1CCCCC1)c2ccccc2C(=O)OC3CCCCC3,non-mutagenic
82389-37-5,O=C(C1OC1c2ccccc2)c3ccc(cc3)c4ccccc4,non-mutagenic
61166-05-0,Cn1c2ccccc2c3cc(ccc13)[N+](=O)[O-],mutagenic
1818-71-9,Nc1nc(O)nc2c1ncn2C3OC(CO)C(O)C3O,non-mutagenic
612-60-2,Cc1ccc2cccnc2c1,mutagenic
104-03-0,OC(=O)Cc1ccc(cc1)[N+](=O)[O-],mutagenic
134523-00-5,CC(C)c1c(C(=O)Nc2ccccc2)c(c3ccccc3)c(c4ccc(F)cc4)n1CCC(O)CC(O)CC(=O)O,non-mutagenic
135086-96-3,CC(=O)Nc1ccc(\C=N\n2nnc3ccnc3c2O)cc1,mutagenic
NOCAS_M113,CC(=O)c1cc(NC(=O)N)ccc1OC[C@H](O)CNC(C)(C)C,mutagenic
111858-64-1,OC1COC(C(O)C1O)N(N=O)c2ccc(cc2)C(=O)O,mutagenic
56362-05-1,CCOP(=O)(NC(C)CC)Oc1cc(C)ccc1[N+](=O)[O-],non-mutagenic
1199-18-4,NCCc1cc(O)c(O)cc1O,mutagenic
122-59-8,OC(=O)COc1ccccc1,non-mutagenic
591-87-7,CC(=O)OCC=C,mutagenic
577-19-5,[O-][N+](=O)c1ccccc1Br,mutagenic
2212-67-1,CCSC(=O)N1CCCCCC1,non-mutagenic
21829-25-4,COC(=C1C(C(=C(C)N=C1C)C(=O)OC)c2ccccc2[N+](=O)[O-])O,non-mutagenic
109875-45-8,Nc1nc(nc2c1ncn2C3CC(O)C(CO)O3)c4ccc(cc4)[N+](=O)[O-],mutagenic
874-86-2,ClCc1ccc(cc1)C#N,non-mutagenic
140-08-9,ClCCOP(OCCCl)OCCCl,mutagenic
90-94-8,CN(C)c1ccc(cc1)C(=O)c2ccc(cc2)N(C)C,mutagenic
139953-76-7,Oc1ccc(\C=N\n2nnc3c4ccccc4nc3c2O)cc1,mutagenic
2118-39-0,Nc1cc2c(O)c(N=Nc3ccc(N=Nc4ccc(cc4)S(=O)(=O)O)c5ccc(cc35)S(=O)(=O)O)c(cc2cc1S(=O)(=O)O)S(=O)(=O)O,non-mutagenic
301-12-2,CCS(=O)CCSP(=O)(OC)OC,mutagenic
2540-82-1,COP(=S)(OC)SCC(=O)N(C)C=O,non-mutagenic
520-36-5,Oc1ccc(cc1)C2=CC(=O)c3c(O)cc(O)cc3O2,non-mutagenic
1975-52-6,Cc1ccc(cc1C(=O)O)[N+](=O)[O-],mutagenic
109897-79-2,OC1C=Cc2cc3cc(ccc3cc2C1O)[N+](=O)[O-],mutagenic
13306-69-9,COP(=S)(OC)Oc1ccc(N)c(C)c1,mutagenic
25590-58-3,C[CH-][N+](=O)[O-],non-mutagenic
97461-39-7,CC(C)(C)OC(=O)\C=C\c1oc(cc1)[N+](=O)[O-],mutagenic
123-11-5,COc1ccc(C=O)cc1,non-mutagenic
313-80-4,c1cc2ccc3ccnc4ccc(c1)c2c34,mutagenic
961-11-5,COP(=O)(OC)O\C(=C/Cl)\c1cc(Cl)c(Cl)cc1Cl,non-mutagenic
612-58-8,Cc1cnc2ccccc2c1,mutagenic
3544-23-8,COc1cc(ccc1N)N=Nc2ccccc2,mutagenic
881-03-8,Cc1ccc2ccccc2c1[N+](=O)[O-],mutagenic
52-51-7,OCC(Br)(CO)[N+](=O)[O-],non-mutagenic
6281-23-8,OC(=O)\C=C\c1oc(cc1)[N+](=O)[O-],mutagenic
90-00-6,CCc1ccccc1O,non-mutagenic
52559-52-1,CCc1cccc(CC)c1NC(=O)CO,mutagenic
90421-79-7,C(Oc1nsc2ccccc12)C3CO3,mutagenic
89213-87-6,CC[C@H](C)[C@@H]1NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](CCSC)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CSSC[C@@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H](CCC(=O)N)NC(=O)[C@@H](C)NC(=O)CNC1=O)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CO)C(=O)N[C@H](Cc3ccccc3)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc4ccc(O)cc4)C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](CO)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CO,non-mutagenic
503-30-0,C1COC1,mutagenic
50283-78-8,CCN(CC)CCNc1ccc(COC(=O)c2occc2)c3Sc4ccccc4C(=O)c13,mutagenic
78-88-6,ClCC(=C)Cl,mutagenic
87633-43-0,COCC1CN(C)C2Cc3cn(C)c4cccc(C2=C1)c34,mutagenic
NOCAS_M358,C[C@@H](CCN(C)C)N(C)C,non-mutagenic
53219-95-7,OC(=O)CCC(=O)Nc1cc(Cl)cc(Cl)c1,non-mutagenic
6164-98-3,CN(C)\C=N\c1ccc(Cl)cc1C,non-mutagenic
143922-95-6,Cc1c(cccc1[N+](=O)[O-])N=O,non-mutagenic
6271-79-0,Nc1ccc(cc1[N+](=O)[O-])c2ccc(N)c(c2)[N+](=O)[O-],mutagenic
57576-44-0,CCC1(O)CC(OC2CC(C(OC3CC(O)C(OC4CCC(=O)C(C)O4)C(C)O3)C(C)O2)N(C)C)c5c(O)c6C(=O)c7c(O)cccc7C(=O)c6cc5C1C(=O)OC,mutagenic
1455-77-2,Nc1n[nH]c(N)n1,non-mutagenic
581-29-3,Nc1ccc2cc3ccccc3nc2c1,mutagenic
14698-29-4,CCN1C=C(C(=O)O)C(=O)c2cc3OCOc3cc12,mutagenic
135086-90-7,Oc1c2nc3ccccc3c2nnn1\N=C\c4ccc(cc4)c5ccccc5,non-mutagenic
124-18-5,CCCCCCCCCC,non-mutagenic
6237-22-5,CN(C)CCCNc1c2ccccc2nc3ccc(cc13)[N+](=O)[O-],mutagenic
NOCAS_M71,COc1cc(N[C@H](C)CCCN)c2ncccc2c1,mutagenic
74550-97-3,O=C1CN(CCN2CC(=O)N(CN3CCOCC3)C(=O)C2)CC(=O)N1CN4CCOCC4,mutagenic
87-84-3,ClC1C(Br)C(Br)C(Br)C(Br)C1Br,non-mutagenic
4067-16-7,NCCNCCNCCNCCNCCN,mutagenic
502-44-3,O=C1CCCCCO1,non-mutagenic
108-43-0,Oc1cccc(Cl)c1,non-mutagenic
39834-38-3,Cc1c2C3OC3c4ccccc4c2c(C)c5ccccc15,mutagenic
73077-95-9,Oc1cc2OCOc2cc1N=O,mutagenic
103-85-5,NC(=S)Nc1ccccc1,non-mutagenic
1477-55-0,NCc1cccc(CN)c1,non-mutagenic
539-48-0,NCc1ccc(CN)cc1,non-mutagenic
122-40-7,CCCCC\C(=C\c1ccccc1)\C=O,non-mutagenic
80556-89-4,OCCN(CC(=O)O)N=O,mutagenic
129286-37-9,Fc1cccc2c3c(ccc12)c4cccc5cccc3c45,mutagenic
113-92-8,CN(C)CCC(c1ccc(Cl)cc1)c2ccccn2,non-mutagenic
65089-17-0,Cc1cccc(C)c1Nc2cc(Cl)nc(SCC(=O)NCCO)n2,non-mutagenic
1126-61-0,Oc1ccc(CC=C)cc1O,mutagenic
105-48-6,CC(C)OC(=O)CCl,non-mutagenic
2818-69-1,Cc1nc2cc(Cl)ccc2[nH]1,mutagenic
108-95-2,Oc1ccccc1,non-mutagenic
NOCAS_M489,CC[C@@H]([C@@H](C)O)[N+](=O)[O-],non-mutagenic
3296-90-0,OCC(CO)(CBr)CBr,mutagenic
6285-57-0,Nc1nc2ccc(cc2s1)[N+](=O)[O-],mutagenic
19387-91-8,CCS(=O)(=O)CCn1c(C)ncc1[N+](=O)[O-],mutagenic
58152-03-7,CNC1C(O)C(CCC1(C)O)OC2C(O)C(OC3CC(CN)C(O)C(O)C3O)C(N)CC2NC(=O)C(O)CN,non-mutagenic
36712-34-2,[O-][N+](=O)c1ccc(cc1)c2ccc(cc2[N+](=O)[O-])[N+](=O)[O-],mutagenic
5857-92-1,Cc1ccc(cc1N)N=[N+]([O-])c2ccc(C)c(N)c2,mutagenic
874-89-5,OCc1ccc(cc1)C#N,non-mutagenic
104-90-5,CCc1ccc(C)nc1,non-mutagenic
60877-99-8,[O-][N+](=O)c1ccc(\C=N\c2snc3ccccc23)cc1,mutagenic
159092-70-3,[O-][N+](=O)c1ccc2c(c1)cc(c3ccccc23)[N+](=O)[O-],mutagenic
477-84-9,COc1c(C=O)c(O)cc2C(=O)c3ccccc3C(=O)c12,non-mutagenic
102-96-5,[O-][N+](=O)\C=C\c1ccccc1,mutagenic
2244-16-8,CC(=C)[C@@H]1CC=C(C)C(=O)C1,non-mutagenic
522-40-7,CC\C(=C(\CC)/c1ccc(OP(=O)(O)O)cc1)\c2ccc(OP(=O)(O)O)cc2,non-mutagenic
568-75-2,Cc1c2ccccc2c(CO)c3ccc4ccccc4c13,mutagenic
163275-57-8,Fc1cnc2c(ccc3ccccc23)c1,non-mutagenic
1874-12-0,CCOC(=O)\C=C\c1oc(cc1)[N+](=O)[O-],mutagenic
114480-41-0,CC(=O)Nc1nc2c3cccnc3cc(C)c2n1C,mutagenic
96-23-1,OC(CCl)CCl,mutagenic
100490-36-6,NC1CCN(C1)c2nc3N(C=C(C(=O)O)C(=O)c3cc2F)c4ccc(F)cc4F,mutagenic
5002-47-1,CCCCCCCCCC(=O)OCCN1CCN(CCCN2c3ccccc3Sc4ccc(cc24)C(F)(F)F)CC1,non-mutagenic
141-75-3,CCCC(=O)Cl,mutagenic
1456-55-9,COc1c(Cl)cc2c(N(C)C3N4C(=O)C5(C)SSC4(C(O)C23O)C(=O)N5C)c1OC,non-mutagenic
1928-43-4,CCCCC(CC)COC(=O)COc1ccc(Cl)cc1Cl,non-mutagenic
2349-67-9,Nc1nnc(S)s1,non-mutagenic
70634-28-5,CC(C)(C)c1cc(ccc1[N+](=O)[O-])c2ccccc2,non-mutagenic
83-07-8,CN1N(C(=O)C(=C1C)N)c2ccccc2,non-mutagenic
302-17-0,OC(O)C(Cl)(Cl)Cl,mutagenic
73-31-4,COc1ccc2[nH]cc(CCNC(=O)C)c2c1,non-mutagenic
60599-38-4,CC(=O)CN(CC(=O)C)N=O,mutagenic
126371-00-4,[O-][N+](=O)c1ccc(CN2C3C2c4ccccc4c5ccccc35)cc1,mutagenic
91991-19-4,ClCC(=O)Nc1snc2ccc(Cl)cc12,mutagenic
60-56-0,Cn1ccnc1S,non-mutagenic
120302-30-9,OCCc1c[nH]c2cc(ccc12)[N+](=O)[O-],mutagenic
110-65-6,OCC#CCO,non-mutagenic
501-52-0,OC(=O)CCc1ccccc1,non-mutagenic
86674-51-3,O=Nc1ccc2ccc3cccc4ccc1c2c34,mutagenic
90866-04-9,Cc1ccc(NCC2(O)OCC(O)C(O)C2O)cc1,non-mutagenic
10595-95-6,CCN(C)N=O,mutagenic
141-04-8,CC(C)COC(=O)CCCCC(=O)OCC(C)C,non-mutagenic
65-86-1,OC(=O)c1cc(O)nc(O)n1,non-mutagenic
NOCAS_M70,C(CCOC[C@H]1CO1)COC[C@H]2CO2,mutagenic
148193-34-4,COc1nsc2ccc(OCC3CO3)cc12,mutagenic
16301-26-1,CCN=[N+]([O-])CC,non-mutagenic
91991-21-8,CCCC(=O)Nc1snc2ccc(Cl)cc12,non-mutagenic
98-15-7,FC(F)(F)c1cccc(Cl)c1,non-mutagenic
155379-81-0,CC(C)c1cc(N)cc(c1N)[N+](=O)[O-],non-mutagenic
121-90-4,[O-][N+](=O)c1cccc(c1)C(=O)Cl,mutagenic
607-91-0,COc1cc(CC=C)cc2OCOc12,non-mutagenic
57491-68-6,Nc1ccccc1SCSc2ccccc2N,mutagenic
16219-98-0,CN(N=O)c1ccccn1,mutagenic
6344-66-7,Nc1ccc2Cc3ccccc3c2c1,mutagenic
136587-13-8,NCCCNCCCCN(CCCN)N(O)N=O,mutagenic
4003-94-5,[O-][N+](=O)c1ccc(\C=C\c2ccccc2)cc1,mutagenic
513-37-1,CC(=CCl)C,mutagenic
78914-74-6,CN(C)c1ccc(cc1)N=Nc2ccccc2COC(=O)C,mutagenic
462-95-3,CCOCOCC,non-mutagenic
NOCAS_M366,C[C@@H]1CC[C@H]2[C@@H](C)[C@H]3[C@@H](C[C@H]4[C@H]5CC=C6C[C@H](CC[C@]6(C)[C@@H]5CC[C@]34C)O[C@@H]7O[C@H](CO)[C@@H](O[C@H]8O[C@@H](C)[C@H](O)[C@@H](O)[C@H]8O[C@H]9O[C@@H](C)[C@H](O)[C@@H](O)[C@H]9O)[C@H](O)[C@H]7O)N2C1,non-mutagenic
59865-13-3,CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C,non-mutagenic
101-02-0,O(P(Oc1ccccc1)Oc2ccccc2)c3ccccc3,non-mutagenic
123-28-4,CCCCCCCCCCCCOC(=O)CCSCCC(=O)OCCCCCCCCCCCC,non-mutagenic
92-55-7,CC(=O)OC(OC(=O)C)c1oc(cc1)[N+](=O)[O-],mutagenic
2160-93-2,CC(C)(C)N(CCO)CCO,non-mutagenic
199536-64-6,OC1OC(=O)C(=C1CBr)Br,mutagenic
220168-41-2,COc1ccc(cc1)C(=O)ON(OCc2ccccc2)C(=O)c3ccccc3,mutagenic
85-60-9,CCCC(c1cc(c(O)cc1C)C(C)(C)C)c2cc(c(O)cc2C)C(C)(C)C,non-mutagenic
120693-41-6,CCc1c2ccccc2cc3c4C5OC5C(O)C(O)c4ccc13,mutagenic
125-33-7,CCC1(C(=O)NCNC1=O)c2ccccc2,mutagenic
138835-34-4,[O-][N+](=O)c1ccc2ccc3c4ccccc4[n+]([O-])c5ccc1c2c35,mutagenic
89786-04-9,CC1(Cn2ccnn2)C(N3C(CC3=O)S1(=O)=O)C(=O)O,non-mutagenic
13603-07-1,C[C@H]1CCCN(C1)N=O,mutagenic
1947-37-1,CSCCC(NC(=O)C(N)Cc1c[nH]c2ccccc12)C(=O)NC(CC(=O)O)C(=O)NC(Cc3ccccc3)C(=O)N,non-mutagenic
637-92-3,CCOC(C)(C)C,non-mutagenic
33372-39-3,OCCN(CCO)c1nc(nc2ccccc12)c3ccc(s3)[N+](=O)[O-],mutagenic
103-80-0,ClC(=O)Cc1ccccc1,mutagenic
101901-08-0,CCC1(CC(=O)O)OCCc2c1[nH]c3c(cccc23)C(C)O,non-mutagenic
70-11-1,BrCC(=O)c1ccccc1,non-mutagenic
54755-21-4,Cc1ccc2cccc(c2c1)[N+](=O)[O-],mutagenic
611-22-3,Cc1ccccc1NO,mutagenic
1135-24-6,COc1cc(\C=C\C(=O)O)ccc1O,non-mutagenic
21416-67-1,CC(CN1CC(=O)NC(=O)C1)N2CC(=O)NC(=O)C2,non-mutagenic
77996-03-3,CN1c2ccccc2C(=O)c3c(O)cc4OC(Cc4c13)C5(C)CO5,mutagenic
112575-91-4,O=C1C=C2c3cc4ccccc4cc3c5cccc(C1=O)c25,mutagenic
57-63-6,CC12CCC3C(CCc4cc(O)ccc34)C1CCC2(O)C#C,non-mutagenic
75-83-2,CCC(C)(C)C,non-mutagenic
213-46-7,c1ccc2c(c1)ccc3c2ccc4c5ccccc5ccc34,mutagenic
159092-76-9,[O-][N+](=O)c1cccc2c1cc(c3cccc(c23)[N+](=O)[O-])[N+](=O)[O-],mutagenic
NOCAS_M21,C[C@@H](O)CN(C[C@H](O)CO)N=O,mutagenic
7779-77-3,CC(C)COC(=O)c1ccccc1N,non-mutagenic
357204-49-0,COc1cccc(c1)C(=O)ON(OCc2ccccc2)C(=O)c3ccccc3,mutagenic
509-93-3,CC1CCC2C(OC(=O)C2=C)C3(C)C1C=CC3=O,non-mutagenic
70021-98-6,[O-][N+](=O)c1ccc2ccc3c4ccccc4cc5ccc1c2c35,mutagenic
139347-89-0,Cc1c(C)c2c3C4OC4C(O)C(O)c3ccc2c5ccccc15,mutagenic
120812-48-8,[O-][N+](=O)c1ccc2c3ccccc3c4c(ccc5ccc1c2c45)[N+](=O)[O-],mutagenic
23434-96-0,COC(=O)C(N)Cc1ccc(Cl)cc1,non-mutagenic
NOCAS_M290,N1[C@@H]2[C@H]1c3c(c4ccccc24)c5ccccc5c6ccccc36,mutagenic
61434-48-8,COc1cc2C(=O)c3ccccc3C(=O)c2c(OC)c1CO,non-mutagenic
114460-39-8,Cc1nc2ccc3ccc4ccc(O)cc4c3c2n1C,mutagenic
42924-53-8,COc1ccc2cc(CCC(=O)C)ccc2c1,non-mutagenic
16156-53-9,CC(C)COS(=O)(=O)C,mutagenic
528-45-0,OC(=O)c1ccc(c(c1)[N+](=O)[O-])[N+](=O)[O-],mutagenic
89784-39-4,CC(=O)N[C@@H](CS\C(=C(/Cl)\C(=C(Cl)Cl)Cl)\Cl)C(=O)O,mutagenic
2381-21-7,Cc1ccc2ccc3cccc4ccc1c2c34,mutagenic
4164-28-7,CN(C)[N+](=O)[O-],mutagenic
101-14-4,Nc1ccc(Cc2ccc(N)c(Cl)c2)cc1Cl,mutagenic
88847-41-0,OC1C2OC2c3c(ccc4c3ccc5ccc(O)cc45)C1O,mutagenic
153117-10-3,CCCCN(CC(CO)OCc1ccccc1)N=O,mutagenic
146795-29-1,Cc1ccc(NC(=O)c2csc(c2)[N+](=O)[O-])cc1,mutagenic
64920-31-6,O[C@@H]1C=Cc2c(ccc3c2ccc4ccccc34)[C@H]1O,mutagenic
2892-51-5,OC1=C(O)C(=O)C1=O,non-mutagenic
107534-94-1,C[C@]12CC[C@H]3[C@@H](CC=C4NC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2OC(=O)CCCc5ccc(cc5)N(CCCl)CCCl,mutagenic
20846-00-8,CC(=[N+]([O-])[O-])C,mutagenic
60883-97-8,Cc1ccc(cc1)S(=O)(=O)N2C3C2c4ccccc4c5ccccc35,mutagenic
4637-56-3,ONc1cc[n+]([O-])c2ccccc12,mutagenic
138580-46-8,CC1=CC(=O)c2[nH]c(C)c3c4ccccc4nc3c2C1=O,mutagenic
159092-72-5,[O-][N+](=O)c1ccc2ccc3cccc(c3c2c1)[N+](=O)[O-],mutagenic
510-15-6,CCOC(=O)C(O)(c1ccc(Cl)cc1)c2ccc(Cl)cc2,non-mutagenic
109380-31-6,CCOC(=O)C(C#N)c1snc2c(cccc12)[N+](=O)[O-],mutagenic
66789-80-8,OC(=O)CC(NC(=O)COc1cc(Cl)c(Cl)cc1Cl)C(=O)O,non-mutagenic
4251-89-2,CCN(CCCl)CCCNc1c2ccccc2nc3c1ccc4ccccc34,mutagenic
1194-65-6,Clc1cccc(Cl)c1C#N,non-mutagenic
57835-92-4,[O-][N+](=O)c1cc2cccc3ccc4cccc1c4c23,mutagenic
65445-60-5,Cl[C@H]1CCCN(C1)N=O,mutagenic
30489-67-9,Cn1c(N)nc2cc3ccccc3cc12,mutagenic
192705-54-7,CC(=O)Nc1ccc2c3cc(O)ccc3c4cccc1c24,mutagenic
13195-64-7,CC(C)OC(=O)CC(=O)OC(C)C,non-mutagenic
1193-24-4,Oc1cc(O)ncn1,non-mutagenic
84434-45-7,Cc1ccccc1N=Nc2ccc(N)c(C)c2N,mutagenic
35203-91-9,NS(=O)(=O)c1cccc2cccnc12,non-mutagenic
349-95-1,OCc1ccc(cc1)C(F)(F)F,non-mutagenic
634-90-2,Clc1cc(Cl)c(Cl)c(Cl)c1,non-mutagenic
6112-76-1,Sc1[nH]cnc2ncnc12,mutagenic
139627-44-4,Cc1cccc2c1cc(C)c3c4C5OC5C(O)C(O)c4ccc23,mutagenic
645-00-1,[O-][N+](=O)c1cccc(I)c1,non-mutagenic
120-61-6,COC(=O)c1ccc(cc1)C(=O)OC,non-mutagenic
20970-16-5,NNc1nncc2ncccc12,mutagenic
860-22-0,Oc1c([nH]c2ccc(cc12)S(=O)(=O)O)C3=Nc4ccc(cc4C3=O)S(=O)(=O)O,non-mutagenic
56413-75-3,NNc1ccccc1[N+](=O)[O-],mutagenic
87-60-5,Cc1c(N)cccc1Cl,non-mutagenic
107-87-9,CCCC(=O)C,non-mutagenic
160543-02-2,Cc1c2ccc3ccccc3c2nc4ccc(CO)cc14,mutagenic
1195-92-2,CC(=C)C1CCC2(C)OC2C1,non-mutagenic
51-12-7,O=C(CCNNC(=O)c1ccncc1)NCc2ccccc2,mutagenic
134874-62-7,[O-][N+](=O)c1cc(c2c3ccccc3c4cccc5ccc1c2c45)[N+](=O)[O-],mutagenic
120-58-1,C\C=C\c1ccc2OCOc2c1,non-mutagenic
80984-67-4,N1C2C1c3cc4c(cc3c5ccccc25)C6NC6c7ccccc47,mutagenic
80-56-8,CC1=CC[C@H]2C[C@@H]1C2(C)C,non-mutagenic
119143-41-8,OC1C=Cc2ccc3ncccc3c2C1O,non-mutagenic
18708-70-8,[O-][N+](=O)c1c(Cl)cc(Cl)cc1Cl,non-mutagenic
16069-36-6,C1CCC2OCCOCCOC3CCCCC3OCCOCCOC2C1,non-mutagenic
136911-37-0,CN1CCN=N1,mutagenic
5332-73-0,COCCCN,non-mutagenic
612-62-4,Clc1ccc2ccccc2n1,non-mutagenic
105777-13-7,OC1C=CC2=C(C1O)c3cccc4cccc2c34,mutagenic
67019-21-0,CCCC(=O)Nc1snc2ccccc12,non-mutagenic
5989-27-5,CC(=C)[C@H]1CCC(=CC1)C,non-mutagenic
134-81-6,O=C(C(=O)c1ccccc1)c2ccccc2,non-mutagenic
13177-27-0,Nc1cccc2c3cccc4cccc(c12)c34,mutagenic
139259-96-4,CC(=O)ON(OCc1ccc(Cl)cc1)C(=O)c2ccccc2,mutagenic
120-23-0,OC(=O)COc1ccc2ccccc2c1,non-mutagenic
2177-18-6,C=COC(=O)C=C,non-mutagenic
119-64-2,C1CCc2ccccc2C1,non-mutagenic
7235-40-7,C\C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C)\C=C\C=C(/C)\C=C\C2=C(C)CCCC2(C)C,mutagenic
24602-86-6,CCCCCCCCCCCCCN1CC(C)OC(C)C1,non-mutagenic
580-19-8,Nc1ccc2cccnc2c1,mutagenic
772-43-0,N\C(=N/O)\c1oc(cc1)[N+](=O)[O-],mutagenic
191-24-2,c1cc2ccc3ccc4ccc5cccc6c(c1)c2c3c4c56,mutagenic
126831-76-3,BrCc1ccc2c3cccc4cccc(c2c1)c34,mutagenic
106-94-5,CCCBr,non-mutagenic
61-57-4,[O-][N+](=O)c1cnc(s1)N2CCNC2=O,mutagenic
633-96-5,Oc1ccc2ccccc2c1N=Nc3ccc(cc3)S(=O)(=O)O,non-mutagenic
NOCAS_M587,CCCC[C@@H](CC)COC(=O)c1ccccc1C(=O)OC[C@H](CC)CCCC,non-mutagenic
141-43-5,NCCO,non-mutagenic
143-27-1,CCCCCCCCCCCCCCCCN,non-mutagenic
16169-17-8,ONc1ccccc1c2ccccc2,mutagenic
125239-65-8,COc1cc2nc3cc(N)ccc3nc2cc1N,mutagenic
16757-82-7,Cc1cc2ccc3cc4ccccc4c5ccc(c1)c2c35,mutagenic
50474-48-1,ONc1ncnc2c1ncn2Cc3ccccc3,mutagenic
141890-75-7,Nc1nc2c(ccc3ncccc23)s1,mutagenic
220168-56-9,CC(C)(C)c1ccc(cc1)C(=O)ON(OCc2ccccc2)C(=O)c3ccccc3,mutagenic
125276-71-3,OC1C2OC2c3c(ccc4nc5c(ccc6ccccc56)cc34)C1O,non-mutagenic
476-57-3,COc1cc(O)c2C(=O)c3c(O)cc(C)c(O)c3C(=O)c2c1,mutagenic
84-75-3,CCCCCCOC(=O)c1ccccc1C(=O)OCCCCCC,non-mutagenic
3351-31-3,Cc1ccc2ccc3c4ccccc4ccc3c2c1,mutagenic
113163-22-7,OC1C2OC2c3c(ccc4cccnc34)C1O,mutagenic
126572-78-9,OC\C(=C(\Cl)/C(=O)O)\C(Cl)Cl,mutagenic
51-18-3,C1CN1c2nc(nc(n2)N3CC3)N4CC4,mutagenic
146795-48-4,CN(C(=O)c1csc(c1)[N+](=O)[O-])c2ccccc2,mutagenic
111-14-8,CCCCCCC(=O)O,non-mutagenic
3468-63-1,Oc1ccc2ccccc2c1N=Nc3ccc(cc3[N+](=O)[O-])[N+](=O)[O-],mutagenic
102421-85-2,OC1=C(O)C23CCCCC2(O3)c4cc5ccc6ccccc6c5nc14,non-mutagenic
90-46-0,OC1c2ccccc2Oc3ccccc13,mutagenic
25953-06-4,CCN(CC)c1ccc(N=O)c(O)c1,non-mutagenic
64099-25-8,COc1nsc2c(cccc12)[N+](=O)[O-],mutagenic
115688-97-6,CN1CCC=C2C1CCc3sc(N)nc23,mutagenic
NOCAS_M487,CC(C)(N)[C@@H]1CC[C@](C)(N)CC1,non-mutagenic
132742-03-1,[O-][N+](=O)c1ccc2ccc3cc4CCC=Cc4c5ccc1c2c35,mutagenic
29964-84-9,CC(C)CCCCCCCOC(=O)C(=C)C,non-mutagenic
129-03-3,CN1CCC(=C2c3ccccc3C=Cc4ccccc24)CC1,non-mutagenic
99-57-0,Nc1cc(ccc1O)[N+](=O)[O-],mutagenic
106626-55-5,CN(C)CCNC(=O)c1cccc2nc3ccccc3cc12,mutagenic
75-12-7,NC=O,non-mutagenic
3025-42-1,CCN(CC)c1ccc(cc1)N=Nc2ccc(cc2Cl)[N+](=O)[O-],mutagenic
52-52-8,NC1(CCCC1)C(=O)O,non-mutagenic
207-08-9,c1ccc2cc3c(cc2c1)c4cccc5cccc3c45,mutagenic
5737-13-3,O=C1c2cccc3ccc4cccc1c4c23,mutagenic
19727-83-4,[O-][N+](=O)c1ccc2CCNc2c1,mutagenic
135086-94-1,COc1ccc(\C=N\n2nnc3c4ccccc4nc3c2O)cc1,mutagenic
109-99-9,C1CCOC1,non-mutagenic
72755-25-0,CC1C(C)C(C)(O)C(=O)OCC2=CCN3CCC(OC(=O)C1=C)C23,non-mutagenic
104226-21-3,Cc1cc(ccc1N=Nc2ccc(N)cc2)N(CCO)CCO,non-mutagenic
99-73-0,BrCC(=O)c1ccc(Br)cc1,non-mutagenic
99523-61-2,CCCC(=O)Nc1snc2ccc(C)cc12,non-mutagenic
33956-49-9,C\C=C\C=C\CCCCCCCO,non-mutagenic
111712-48-2,CC(C)(Br)C(Br)COP(=O)(OCC(Br)C(C)(C)Br)OCC(Br)C(C)(C)Br,non-mutagenic
62966-21-6,CC(=O)CC(=O)\C=C\C(=O)O,non-mutagenic
19900-72-2,CCc1cc(Cc2cc(C)c(N)c(CC)c2)cc(C)c1N,non-mutagenic
NOCAS_M267,CC(=C[C@H]1[C@H](C(=O)O[C@@H]2CC(=O)C(=C2C)CC=C)C1(C)C)C,mutagenic
95-50-1,Clc1ccccc1Cl,non-mutagenic
94-62-2,O=C(\C=C\C=C\c1ccc2OCOc2c1)N3CCCCC3,non-mutagenic
67019-19-6,ClCC(=O)Nc1snc2ccccc12,mutagenic
107-99-3,CN(C)CCCl,mutagenic
109-77-3,N#CCC#N,non-mutagenic
99585-29-2,Oc1cccc2Cc3cc(ccc3c12)[N+](=O)[O-],mutagenic
3671-71-4,ON(C(=O)c1ccccc1)c2ccc3c(Cc4ccccc34)c2,mutagenic
111-46-6,OCCOCCO,non-mutagenic
64-77-7,CCCCNC(=O)NS(=O)(=O)c1ccc(C)cc1,non-mutagenic
462-06-6,Fc1ccccc1,mutagenic
2371-42-8,CC1(C)C2CCC1(C)C(C)(O)C2,non-mutagenic
115781-40-3,Cc1cnc2ccc3c(nc(NS(=O)(=O)O)n3C)c2n1,non-mutagenic
4074-88-8,C=CC(=O)OCCOCCOC(=O)C=C,non-mutagenic
122-97-4,OCCCc1ccccc1,non-mutagenic
70249-46-6,OCc1ccc2c3ccccc3c4cccc1c24,non-mutagenic
610-88-8,CCC(C)C1NC(=O)C(=C1O)C(=O)C,non-mutagenic
16757-80-5,Cc1cc2cccc3ccc4cc5ccccc5c1c4c23,mutagenic
759-94-4,CCCN(CCC)C(=O)SCC,non-mutagenic
684-93-5,CN(N=O)C(=O)N,mutagenic
NOCAS_M142,C=CC(=O)N(C[C@H]1CO1)C[C@H]2CO2,mutagenic
NOCAS_M285,C[C@@H]1CNC[C@@H](C)O1,mutagenic
100-47-0,N#Cc1ccccc1,non-mutagenic
106636-50-4,Cc1ccc(cc1)c2nc3SCCn3c2[N+](=O)[O-],mutagenic
159092-78-1,[O-][N+](=O)c1ccc2c(cc3c(cccc3c2c1)[N+](=O)[O-])[N+](=O)[O-],mutagenic
123-30-8,Nc1ccc(O)cc1,non-mutagenic
104-83-6,ClCc1ccc(Cl)cc1,non-mutagenic
79455-30-4,CC(CNC(=O)c1cccnc1)NC(=O)c2cccnc2,non-mutagenic
1070-11-7,CC[C@H](CO)NCCN[C@H](CC)CO,non-mutagenic
7467-29-0,Cc1ccccc1N=Nc2cc(C)c(N)cc2N,mutagenic
122-19-0,CCCCCCCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1,non-mutagenic
36508-80-2,CN1C(CCC1=O)c2ccc[n+]([O-])c2,non-mutagenic
2997-92-4,CC(C)(N=NC(C)(C)C(=N)N)C(=N)N,mutagenic
155164-66-2,ClC1=C(Cl)C(=O)N(N=C1)C(=O)c2ccccc2,non-mutagenic
2608-48-2,[O-][N+](=O)c1ccc(\C=C\C=C\C=O)cc1,mutagenic
880-93-3,Cc1ccc(c2ccccc12)[N+](=O)[O-],mutagenic
93-15-2,COc1ccc(CC=C)cc1OC,non-mutagenic
23045-35-4,Nc1c2ccccc2nc3ccc(cc13)[N+](=O)[O-],mutagenic
86-73-7,C1c2ccccc2c3ccccc13,non-mutagenic
151455-09-3,COc1cc(OC)c2cc(c3c(cc4OCOc4c3c2c1)C(=O)O)[N+](=O)[O-],non-mutagenic
2782-57-2,Oc1nc(Cl)nc(Cl)n1,non-mutagenic
22338-69-8,CC12CCCC(C)(C1CCC34CC(CCC23)C(=C)C4O)C(=O)O,non-mutagenic
28564-83-2,CC1=C(O)C(=O)C(O)CO1,mutagenic
95-78-3,Cc1ccc(C)c(N)c1,mutagenic
13558-31-1,Nc1ccc2c(c3ccccc3C(=O)O)c4ccc(N)cc4[o+]c2c1,non-mutagenic
38914-96-4,ClCCNCCCNc1c2ccccc2nc3ccccc13,mutagenic
155164-57-1,ClC1=C(Cl)C(=O)N(N=C1)S(=O)(=O)c2ccccc2,non-mutagenic
74407-28-6,CSCC(NC(=O)C(C)(C)SC)C(=O)O,non-mutagenic
68688-87-9,Cc1ccc2cc3c4C=C[C@@H](O)[C@H](O)c4ccc3c5CCc1c25,mutagenic
77121-90-5,COC1C(N)CC(OC2CC(O)(Cc3c(O)c4C(=O)c5cccc(OC)c5C(=O)c4c(O)c23)C(=O)CO)OC1C,mutagenic
33069-62-4,CC(=O)O[C@@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4ccccc4)[C@@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c6ccccc6)c7ccccc7)C(=C1C5(C)C)C,non-mutagenic
35212-22-7,CC(C)Oc1ccc2C(=O)C(=COc2c1)c3ccccc3,non-mutagenic
16156-54-0,CCC(C)OS(=O)(=O)C,mutagenic
594-42-3,ClSC(Cl)(Cl)Cl,mutagenic
581-47-5,c1ccc(nc1)c2ccncc2,mutagenic
94-36-0,O=C(OOC(=O)c1ccccc1)c2ccccc2,non-mutagenic
99-61-6,[O-][N+](=O)c1cccc(C=O)c1,mutagenic
98-51-1,Cc1ccc(cc1)C(C)(C)C,non-mutagenic
NOCAS_M237,C[C@@H]1CCCCN1CCCNCC(=O)Nc2c(C(=O)c3ccccc3F)c(C)nn2C,mutagenic
64-86-8,COC1=CC=C2C(=CC1=O)[C@@H](CCc3cc(OC)c(OC)c(OC)c23)NC(=O)C,non-mutagenic
70403-81-5,COc1ccc2c(c1)C(=O)c3nccc4cc(OC)c(OC)c2c34,mutagenic
52517-34-7,CN1CC(CBr)CC2C1Cc3c[nH]c4cccc2c34,mutagenic
81316-80-5,[O-][N+](=O)c1ccc2c3cc4ccccc4cc3c5cccc1c25,mutagenic
145531-24-4,COc1cc(NS(=O)(=O)C)ccc1Nc2c3ccccc3nc4ccc(cc24)N=N#N,mutagenic
NOCAS_M273,C[C@@H](O)c1cc2ccc3cccc4ccc(c1)c2c34,mutagenic
839-90-7,OCCN1C(=O)N(CCO)C(=O)N(CCO)C1=O,non-mutagenic
78-95-5,CC(=O)CCl,non-mutagenic
101-20-2,Clc1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1,non-mutagenic
99-08-1,Cc1cccc(c1)[N+](=O)[O-],non-mutagenic
50-48-6,CN(C)CCC=C1c2ccccc2CCc3ccccc13,non-mutagenic
105836-99-5,[O-][N+](=O)c1ccc2nc3c(cccc3nc2c1)[N+](=O)[O-],mutagenic
199536-62-4,BrCC1=C(Br)C(=O)OC1,mutagenic
98046-73-2,ONc1cnc2c(c1)nc3ccccn23,mutagenic
38514-71-5,Nc1nc(cs1)c2oc(cc2)[N+](=O)[O-],mutagenic
16529-56-9,CC(C=C)C#N,non-mutagenic
72-48-0,Oc1ccc2C(=O)c3ccccc3C(=O)c2c1O,mutagenic
111574-85-7,N[C@@H](CCC(=O)N[C@@H](CSC(=C(Cl)Cl)Cl)C(=O)NCC(=O)O)C(=O)O,mutagenic
17423-48-2,Nc1cccc2ccc3ccccc3c12,non-mutagenic
523-44-4,Oc1ccc(N=Nc2ccc(cc2)S(=O)(=O)O)c3ccccc13,non-mutagenic
303-34-4,CO[C@@H](C)[C@](O)(C(=O)OCC1=CCN2CC[C@H](OC(=O)\C(=C/C)\C)[C@@H]12)C(C)(C)O,mutagenic
92072-09-8,[O-][N+](=O)c1ccc2c3cccc4ccc(c(c5cccc1c25)c34)[N+](=O)[O-],mutagenic
118174-26-8,CC(C)(C)OC(=O)N\N=C\C1=CN(O)c2ccccc2N1O,mutagenic
119-47-1,Cc1cc(Cc2cc(C)cc(c2O)C(C)(C)C)c(O)c(c1)C(C)(C)C,non-mutagenic
95933-72-5,N\C(=N/O)\c1ccc(O)c(O)c1,mutagenic
81-77-6,Oc1c2ccccc2c(O)c3c1ccc4nc5c6C(=O)c7ccccc7C(=O)c6ccc5nc34,non-mutagenic
6375-16-2,CC(=O)Nc1ccc(C)c(N)c1,mutagenic
130536-46-8,C1Cc2cccnc2C3OC13,non-mutagenic
70140-81-7,CCOP(=S)(OCC(C)C)SCCl,non-mutagenic
1071-83-6,OC(=O)CNCP(=O)(O)O,non-mutagenic
1126-76-7,C(Cc1ccccc1)C2CO2,mutagenic
99-94-5,Cc1ccc(cc1)C(=O)O,non-mutagenic
50935-04-1,CC1OC(CC(N)C1O)OC2CC(O)(Cc3c(O)c4C(=O)c5cccc(O)c5C(=O)c4c(O)c23)C(=O)C,mutagenic
108963-23-1,ClCCC(Br)CBr,non-mutagenic
64432-06-0,CC1OC(OC2C(O)C(O)C(CO)OC2OC34CCC5C6(C)CCCC(C)(C6CCC5(CC3=C)C4)C(=O)OC7OC(CO)C(O)C(O)C7O)C(O)C(O)C1O,non-mutagenic
68162-38-9,COC(=O)\C(=C\c1oc(Br)cc1)\[N+](=O)[O-],non-mutagenic
3420-97-1,CCOc1ccc(cc1)N=O,mutagenic
128879-32-3,CN(C)CCN1C=CN(C)C1\C=N\O,non-mutagenic
NOCAS_M300,ClC[C@H](Cl)CBr,mutagenic
585-71-7,CC(Br)c1ccccc1,non-mutagenic
89-98-5,Clc1ccccc1C=O,non-mutagenic
55090-44-3,CCCCCCCCCCCCN(C)N=O,mutagenic
18434-08-7,CCCCCCC(CCCC)COc1ccc(cc1)c2ccc(cc2)c3ccc(cc3)c4ccc(OCC(CCCC)CCCCCC)cc4,non-mutagenic
119-32-4,Cc1ccc(N)cc1[N+](=O)[O-],mutagenic
NOCAS_M268,ClC[C@H]1CO1,mutagenic
1326-03-0,CCN(CC)c1ccc2C(=C3C=CC(=[N+](CC)CC)C=C3Oc2c1)c4ccccc4C(=O)O,non-mutagenic
150366-18-0,COCC1CN(C(=O)O1)c2ccc3nc(sc3c2)C(O)CCC#N,non-mutagenic
80-63-7,COC(=O)C(=C)Cl,mutagenic
24954-53-8,CNC(=O)ON(C(=O)NC)C(=O)NC,non-mutagenic
133740-20-2,COc1cc(O)c2c(O)c3C(=O)OC(=Cc3c(OC)c2c1)C,mutagenic
2564-83-2,CC1(C)CCCC(C)(C)N1O,non-mutagenic
119143-42-9,C1Cc2c(ccc3ncccc23)C4OC14,non-mutagenic
789-47-9,Nc1ccc2c(ccc3c4ccccc4ccc23)c1,mutagenic
111-76-2,CCCCOCCO,non-mutagenic
103124-59-0,CCOC(=O)C(=NNc1ccc(cc1OC)c2ccc(NN=C(C(=O)OCC)C(=O)OCC)c(OC)c2)C(=O)OCC,non-mutagenic
1248-18-6,Oc1ccc2ccccc2c1N=Nc3ccc4ccccc4c3S(=O)(=O)O,non-mutagenic
86-59-9,OC(=O)c1cccc2cccnc12,non-mutagenic
83-95-4,COc1ccc2c(OC)c3CCOc3nc2c1OC,mutagenic
303-45-7,CC(C)c1c(O)c(O)c(C=O)c2c(O)c(c(C)cc12)c3c(C)cc4c(C(C)C)c(O)c(O)c(C=O)c4c3O,non-mutagenic
41934-47-8,CCN(CC)c1ccc2C(=CC(=O)Oc2c1)C(F)(F)F,non-mutagenic
192705-53-6,CC(=O)Nc1ccc2c3ccc(O)cc3c4cccc1c24,mutagenic
106636-49-1,[O-][N+](=O)c1c(nc2SCCn12)c3ccc(Cl)cc3,mutagenic
34801-16-6,Nc1nc(cs1)c2ccc(s2)[N+](=O)[O-],mutagenic
66-97-7,O=C1Oc2cc3occc3cc2C=C1,non-mutagenic
122587-22-8,COC(=O)c1oc(c(Cl)c1Cl)[N+](=O)[O-],mutagenic
14064-55-2,[O-][N+](=O)c1ccc(\C=C\c2ccc(Cl)cc2)cc1,mutagenic
NOCAS_M110,COC(=O)[C@]12O[C@@]1(C)[C@@](C)(O)OC2=O,mutagenic
924-16-3,CCCCN(CCCC)N=O,mutagenic
74494-65-8,COc1cc(O)c2C(=O)c3c(OC)cc4OC5OCCC5c4c3Oc2c1OC,non-mutagenic
9005-65-6,CCCCCCCC\C=C\CCCCCCCC(=O)OCCOCC1(OCCOC)OCC(OCCOC)C1OCCOC,non-mutagenic
101-61-1,CN(C)c1ccc(Cc2ccc(cc2)N(C)C)cc1,mutagenic
584-48-5,[O-][N+](=O)c1ccc(Br)c(c1)[N+](=O)[O-],mutagenic
32861-85-1,COc1cc(Oc2ccc(Cl)cc2Cl)cc(c1)[N+](=O)[O-],non-mutagenic
2185-92-4,Nc1ccccc1c2ccccc2,mutagenic
622-96-8,CCc1ccc(C)cc1,non-mutagenic
188970-83-4,Oc1cccc2c1c(cc3[nH]c4ccc5ccccc5c4c23)[N+](=O)[O-],mutagenic
163275-61-4,Fc1ccc2ccc3cccnc3c2c1,mutagenic
145627-68-5,OC1C=Cc2c(ccc3c4CCCc4ccc23)C1O,mutagenic
106323-85-7,[O-][N+](=O)c1ccc(c2ccc(c(c2)[N+](=O)[O-])[N+](=O)[O-])c(c1)[N+](=O)[O-],mutagenic
NOCAS_M64,CC(=C[C@H]1[C@H](C(=O)OCc2oc(CC#C)cc2)C1(C)C)C,mutagenic
133762-81-9,Nc1nc(Cl)c2ncn(CC(O)CN=N#N)c2n1,mutagenic
86-95-3,Oc1cc(O)c2ccccc2n1,mutagenic
102-07-8,O=C(Nc1ccccc1)Nc2ccccc2,non-mutagenic
39860-12-3,Cc1ccc2c(c1)nc(N)n2C,mutagenic
121-39-1,CCOC(=O)[C@@H]1O[C@H]1c2ccccc2,non-mutagenic
79-08-3,OC(=O)CBr,mutagenic
158729-29-4,Clc1cc(Cl)cc(NS(=O)(=O)c2cccc3cccnc23)c1,non-mutagenic
109-78-4,OCCC#N,non-mutagenic
159092-67-8,[O-][N+](=O)c1ccc2ccc3c(cccc3c2c1)[N+](=O)[O-],mutagenic
79-44-7,CN(C)C(=O)Cl,mutagenic
166546-19-6,CN1CCN(CC1)c2ccc3[nH]c(nc3c2)c4ccc5[nH]c(nc5c4)c6ccc(cc6)N(CCCl)CCCl,non-mutagenic
52-86-8,OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c3ccc(Cl)cc3,non-mutagenic
70458-92-3,CCN1C=C(C(=O)O)C(=O)c2cc(F)c(cc12)N3CCN(C)CC3,mutagenic
18636-89-0,[O-][n+]1cc2ccccc2cn1,non-mutagenic
77-65-6,CCC(Br)(CC)C(=O)NC(=O)N,non-mutagenic
69658-14-6,CCOC(=O)CSc1ccc2c3ccccc3C(=O)c4cccc1c24,mutagenic
NOCAS_M33,CC(=O)Nc1ccc(cc1)[C@H]2O[C@H]2C(=O)c3ccccc3,mutagenic
61734-88-1,CCN(CCCO)N=O,mutagenic
133762-86-4,NC1=NC(=O)N(CC(O)CN=N#N)C=C1,mutagenic
25013-15-4,Cc1ccc(C=C)cc1,non-mutagenic
108893-54-5,CC(=O)OC1C2CC(C)(C)CC2=C(C=O)C3(CC13C)C=O,non-mutagenic
3989-90-0,[O-][N+](=O)c1ccc2c(ccc3c4ccccc4ccc23)c1,mutagenic
7704-40-7,Nc1ccc2nc3ccc(N)cc3nc2c1,mutagenic
NOCAS_M79,C[C@@H]1c2ccccc2c3ccc(C)cc13,mutagenic
26946-33-8,Nc1ccc(Cc2ccc(N)cc2[N+](=O)[O-])c(c1)[N+](=O)[O-],mutagenic
53-86-1,COc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)c3ccc(Cl)cc3,non-mutagenic
69533-68-2,[O-][N+](=O)c1ccc2c(CCc3cc(ccc23)[N+](=O)[O-])c1,mutagenic
150446-04-1,Cc1c(Cn2ccnc2)c3cc(ccc3n1Cc4ccccc4)[N+](=O)[O-],mutagenic
146795-45-1,[O-][N+](=O)c1cccc(NC(=O)c2csc(c2)[N+](=O)[O-])c1,mutagenic
627-18-9,OCCCBr,mutagenic
2210-28-8,CCCOC(=O)C(=C)C,non-mutagenic
105467-67-2,Oc1cccc2c1ccc3nc4ccc5ccccc5c4cc23,non-mutagenic
NOCAS_M390,CCCC[C@@H](CC)COP(OC[C@H](CC)CCCC)OC[C@H](CC)CCCC,non-mutagenic
117929-12-1,[O-][N+](=O)c1cc2CCc3cc(cc4ccc(c1)c2c34)[N+](=O)[O-],mutagenic
80-46-6,CCC(C)(C)c1ccc(O)cc1,non-mutagenic
127-18-4,ClC(=C(Cl)Cl)Cl,non-mutagenic
114717-14-5,NC(Cn1ccnc1)C(=O)O,mutagenic
28108-99-8,CC(C)c1ccc(OP(=O)(Oc2ccccc2)Oc3ccccc3)cc1,non-mutagenic
37574-47-3,O1C2C1c3cc4ccccc4c5ccc6cccc2c6c35,mutagenic
779-02-2,Cc1c2ccccc2cc3ccccc13,mutagenic
109-43-3,CCCCOC(=O)CCCCCCCCC(=O)OCCCC,non-mutagenic
50648-96-9,CC(NC(=O)COc1ccc(Cl)cc1Cl)C(=O)O,non-mutagenic
35281-34-6,C1Cc2ccc3cc4CCCc5ccc6cc(C1)c2c3c6c45,mutagenic
27113-22-0,CCCCCCCC(=O)CCc1ccc(O)c(OC)c1,non-mutagenic
3311-98-6,[O-][N+](=O)c1cnc(NC(=O)NCCCl)s1,mutagenic
84-64-0,CCCCOC(=O)c1ccccc1C(=O)OC2CCCCC2,non-mutagenic
114460-41-2,CCc1nc2c(ccc3ccc4ccc(O)cc4c23)[nH]1,mutagenic
88-95-9,ClC(=O)c1ccccc1C(=O)Cl,mutagenic
19655-56-2,CCc1cccc2cccnc12,mutagenic
330-54-1,CN(C)C(=O)Nc1ccc(Cl)c(Cl)c1,mutagenic
95-74-9,Cc1ccc(N)cc1Cl,mutagenic
602-87-9,[O-][N+](=O)c1ccc2CCc3cccc1c23,mutagenic
952-23-8,Nc1ccc2cc3ccc(N)cc3nc2c1,mutagenic
24143-08-6,CC(=O)NC1=NC(=NOC1)c2oc(cc2)[N+](=O)[O-],mutagenic
2255-50-7,COc1c2ccoc2nc3c(O)cccc13,mutagenic
75453-80-4,OC1C=CC=CC1O,mutagenic
599-64-4,CC(C)(c1ccccc1)c2ccc(O)cc2,non-mutagenic
138835-36-6,[O-][N+](=O)c1ccc2ccc3c4ccccc4nc5ccc1c2c35,mutagenic
130-26-7,Oc1c(I)cc(Cl)c2cccnc12,non-mutagenic
1513-65-1,Fc1cccc(F)n1,non-mutagenic
149022-16-2,Cc1nccc2c3ccc(O)cc3[nH]c12,mutagenic
59-50-7,Cc1cc(O)ccc1Cl,non-mutagenic
61734-90-5,CCCCN(CC(=O)CC)N=O,mutagenic
92-88-6,Oc1ccc(cc1)c2ccc(O)cc2,non-mutagenic
7144-65-2,C(Oc1ccccc1c2ccccc2)C3CO3,mutagenic
24280-93-1,COc1c(C)c2COC(=O)c2c(O)c1C\C=C(/C)\CCC(=O)O,mutagenic
873-75-6,OCc1ccc(Br)cc1,non-mutagenic
54292-59-0,OCCN(CCO)c1ccc(cc1)N=Nc2cccnc2,non-mutagenic
129541-01-1,COC(=O)CNC(=O)C(CSCCCl)NC(=O)CCC(N)C(=O)O,mutagenic
86-40-8,C[n+]1c2cc(N)ccc2cc3ccc(N)cc13,mutagenic
98033-24-0,Cc1oc2c(ccc3ccc4ccc(O)cc4c23)n1,mutagenic
72848-48-7,[O-][N+](=O)c1ccc2nc3cc(ccc3nc2c1)[N+](=O)[O-],mutagenic
83504-80-7,O=Nc1ccc(Sc2ccccc2)cc1,mutagenic
92-24-0,c1ccc2cc3cc4ccccc4cc3cc2c1,mutagenic
115-77-5,OCC(CO)(CO)CO,non-mutagenic
63166-73-4,CC1COC2(CC1OC(=O)\C=C\c3ccccc3)OC4CC(CCC4C25CO5)C(=O)OC6OC(C)C(O)C(OC(=O)C)C6OC7OC(C)C(O)C(OC(=O)C)C7O,non-mutagenic
108-11-2,CC(C)CC(C)O,non-mutagenic
126420-95-9,Cc1cc(C)c(CN2C3C2c4ccccc4c5ccccc35)c(C)c1,mutagenic
188107-71-3,Cc1cc(c(C)c2c3ccccc3n(C)c12)[N+](=O)[O-],mutagenic
484-08-2,COc1cc2nc3occc3c(OC)c2cc1OC,mutagenic
6068-96-8,CCCOO,mutagenic
24099-25-0,COc1c(OCC2OC2(C)C)ccc3c(OC)c4ccoc4nc13,non-mutagenic
51938-16-0,CN(CCCCO)N=O,mutagenic
112022-09-0,CN(C)CCNC(=O)C1=CC=CN2C(=O)c3ccccc3N=C12,mutagenic
38965-71-8,OC(=O)c1cc2OCOc2c3c4cccc(O)c4cc(c13)[N+](=O)[O-],mutagenic
89-83-8,CC(C)c1ccc(C)cc1O,non-mutagenic
17479-19-5,CC(C)C1(NC(=O)C2CC3C(Cc4c[nH]c5cccc3c45)N(C)C2)OC6(O)C7CCCN7C(=O)C(Cc8ccccc8)N6C1=O,non-mutagenic
92911-19-8,CNc1ccc(cc1)N=Nc2ccc3ncsc3c2,mutagenic
91642-47-6,CCCCCOC(=O)\C=C\c1oc(cc1)[N+](=O)[O-],mutagenic
304-20-1,NNc1nncc2ccccc12,mutagenic
2206-89-5,ClCCOC(=O)C=C,mutagenic
5910-89-4,Cc1nccnc1C,non-mutagenic
25148-68-9,CNc1ccccc1N,mutagenic
141511-29-7,[O-][N+](=O)c1ccc2c(CCc3c4CCCCc4ccc23)c1,mutagenic
127924-00-9,OC(CC(=O)OCCBr)(CC(=O)OCCBr)C(=O)OCCBr,mutagenic
3778-73-2,ClCCN[P@]1(=O)OCCCN1CCCl,mutagenic
15088-70-7,CCOC(=O)CNC(=O)CBr,non-mutagenic
526-75-0,Cc1cccc(O)c1C,non-mutagenic
NOCAS_M354,CC[C@H](O)CN,non-mutagenic
36519-91-2,Clc1ccc(CC2CO2)cc1,mutagenic
105-45-3,COC(=O)CC(=O)C,non-mutagenic
17886-23-6,CCN1CCN=N1,mutagenic
16048-37-6,O=C1c2ccccc2C(=O)c3c(cccc13)[N+]#N,mutagenic
99520-64-6,O1C2C1c3ccc4c5ccccc5c6cc7cccc2c7c3c46,mutagenic
94-82-6,OC(=O)CCCOc1ccc(Cl)cc1Cl,non-mutagenic
59-02-9,CC(C)CCCC(C)CCCC(C)CCCC1(C)CCc2c(C)c(O)c(C)c(C)c2O1,non-mutagenic
1748-81-8,CC(=O)CCC1C2CC3C(CC12C)OC(=O)C3=C,non-mutagenic
148-65-2,CN(C)CCN(Cc1ccc(Cl)s1)c2ccccn2,non-mutagenic
594-71-8,CC(C)(Cl)[N+](=O)[O-],mutagenic
4457-41-4,[O-][N+](=O)c1ccc(COC(=O)c2ccccc2)cc1,mutagenic
555-66-8,CCCCC\C=C\C(=O)CCc1ccc(O)c(OC)c1,mutagenic
63-74-1,Nc1ccc(cc1)S(=O)(=O)N,non-mutagenic
504-29-0,Nc1ccccn1,non-mutagenic
24549-06-2,CCc1cccc(C)c1N,mutagenic
619-89-6,OC(=O)\C=C\c1ccc(cc1)[N+](=O)[O-],mutagenic
6795-23-9,COc1cc2OC3OC=CC3(O)c2c4OC(=O)C5=C(CCC5=O)c14,mutagenic
38915-14-9,CCN(CCCl)CCCNc1c2ccccc2nc3c(OC)cccc13,mutagenic
612-64-6,CCN(N=O)c1ccccc1,non-mutagenic
39208-00-9,CN(C)c1ccc(cc1)N=Nc2ccc(C=O)cc2,mutagenic
75607-61-3,NC(CCC(=O)NC(CSCCCl)NC(=O)CC(=O)O)C(=O)O,mutagenic
47165-04-8,NC(=N)c1ccc(cc1)c2cc3ccc(cc3[nH]2)C(=N)N,non-mutagenic
97-24-5,Oc1ccc(Cl)cc1Sc2cc(Cl)ccc2O,non-mutagenic
78914-75-7,CN(C)c1ccc(cc1)N=Nc2ccc(COC(=O)C)cc2,mutagenic
55676-18-1,CC(=O)Nc1ccc2[nH]c3c(C)c4ccncc4c(C)c3c2c1,non-mutagenic
106532-60-9,CC(=O)\N=C\1/SN(C(=O)C)c2ccc(cc12)[N+](=O)[O-],mutagenic
148749-29-5,CC(=O)OC1(CCC2C3C(CCC12C)C4(C)C5CC5C(=O)C=C4C6(Cl)CC36)C(=O)C,non-mutagenic
100924-64-9,OS(=O)(=O)OCc1cc2ccccc2c3ccc4ccccc4c13,mutagenic
31297-82-2,OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c2ccc3C(=O)c4ccccc4C(=O)c3c2O,mutagenic
139259-91-9,COc1ccc(CON(OC(=O)C)C(=O)c2ccccc2)cc1,mutagenic
33703-08-1,CC(C)CCCCCCOC(=O)CCCCC(=O)OCCCCCCC(C)C,non-mutagenic
533-30-2,Nc1ccc2ncsc2c1,mutagenic
311-45-5,CCOP(=O)(OCC)Oc1ccc(cc1)[N+](=O)[O-],mutagenic
135294-99-4,OCc1cccc2c3cccc4cccc(c12)c34,non-mutagenic
108278-72-4,NC(=O)N(CCCC(=O)O)N=O,mutagenic
272-16-2,c1ccc2sncc2c1,non-mutagenic
118745-11-2,ON(C=O)c1ccc(\C=C\c2ccccc2)cc1,mutagenic
NOCAS_M324,CN1CC[C@@H](CN2c3ccccc3Sc4ccccc24)C1,non-mutagenic
33953-73-0,Oc1c2ccccc2c3ccc4cccc5ccc1c3c45,mutagenic
51938-15-9,CCCCN(CC(=O)C)N=O,mutagenic
56-40-6,NCC(=O)O,non-mutagenic
593-08-8,CCCCCCCCCCCC(=O)C,non-mutagenic
151910-74-6,OC1C=Cc2c(ccc3cc4c5C=CC(O)C(O)c5ccc4cc23)C1O,non-mutagenic
4273-73-8,COC(=O)\C(=C\C=C\C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C)\C)\C,non-mutagenic
108354-48-9,Cc1cc2nccnc2c3nc(N)n(C)c13,mutagenic
89-25-8,CC1=NN(C(=O)C1)c2ccccc2,non-mutagenic
NOCAS_M102,C[C@@H]1COc2c(N3CCN(C)CC3)c(F)c(C(=O)O)c4C(=O)C=CN1c24,mutagenic
51-98-9,CC(=O)OC1(CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C)C#C,non-mutagenic
32425-83-5,O=C1CCc2ccc3c(ccc4ccccc34)c12,mutagenic
131862-17-4,CN(C)CCNC(=O)c1cc2ccccc2c3cccnc13,mutagenic
138805-30-8,Cc1ccc(N)cc1N=[N+]([O-])c2cc(N)ccc2C,mutagenic
110-83-8,C1CCC=CC1,non-mutagenic
105427-00-7,CC1(CO1)C(=O)NCc2ccccc2,mutagenic
129286-36-8,Fc1ccc2c3c(ccc4ccccc34)c5cccc1c25,mutagenic
2415-85-2,CC(=O)CC(=O)Nc1ccc(C)cc1,non-mutagenic
35287-69-5,COC(=O)C12Oc3ccc(c(O)c3C(=C1C(=O)CC(C)C2O)O)c4ccc5OC6(C(O)C(C)CC(=O)C6=C(O)c5c4O)C(=O)OC,non-mutagenic
NOCAS_M569,C[C@H]1C[C@H](CC(C)(C)C1)OC(=O)c2ccccc2O,non-mutagenic
999-55-3,C=CCOC(=O)C=C,non-mutagenic
393-52-2,Fc1ccccc1C(=O)Cl,mutagenic
1025-15-6,C=CCN1C(=O)N(CC=C)C(=O)N(CC=C)C1=O,non-mutagenic
127183-64-6,Nc1ccc2c(no[n+]2[O-])n1,mutagenic
150445-99-1,[O-][N+](=O)c1cccc(CO\N=C\c2nc3cc(ccc3n2Cc4ccc(F)cc4)[N+](=O)[O-])c1,non-mutagenic
94223-87-7,Cc1ccc2nc3c(cc2c1)c4cccc5cccc3c45,non-mutagenic
NOCAS_M538,CCC[C@](C)(COC(=O)N)COC(=O)NC(C)C,non-mutagenic
27354-18-3,CC(C)Nc1cccc2C(=O)c3ccccc3C(=O)c12,mutagenic
68-12-2,CN(C)C=O,non-mutagenic
26328-53-0,[O-][N+](=O)c1ccc(Nc2ccc(cc2)N=C=S)cc1,non-mutagenic
91254-97-6,Oc1cc2ccc(c3ccc4cccc1c4c23)[N+](=O)[O-],mutagenic
133960-21-1,COC(=O)c1oc(NOC(=O)C)c(c2ccccc2)c1c3ccccc3,non-mutagenic
149996-82-7,CCN(C=O)N=O,mutagenic
80-13-7,OC(=O)c1ccc(cc1)S(=O)(=O)N(Cl)Cl,mutagenic
3333-62-8,O=C1Oc2cc(ccc2C=C1c3ccccc3)n4nc5ccc6ccccc6c5n4,non-mutagenic
50649-06-4,OC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)COc3ccc(Cl)cc3Cl,non-mutagenic
98-83-9,CC(=C)c1ccccc1,non-mutagenic
1010-93-1,Cc1ncc([N+](=O)[O-])n1CC(=O)O,mutagenic
19077-98-6,CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc2ccccn2,non-mutagenic
97-88-1,CCCCOC(=O)C(=C)C,non-mutagenic
7241-98-7,COc1cc2OC3OCCC3c2c4OC(=O)C5=C(CCOC5=O)c14,non-mutagenic
553-97-9,CC1=CC(=O)C=CC1=O,non-mutagenic
NOCAS_M63,O[C@@H]1OC(=O)C(=C1C(Cl)Cl)Cl,mutagenic
130-01-8,C\C=C\1/CC(C)C(C)(O)C(=O)OCC2=CCN3CCC(OC1=O)C23,non-mutagenic
507-70-0,CC1(C)C2CCC1(C)C(O)C2,non-mutagenic
99523-57-6,Cc1ccc2nsc(NC(=O)CCl)c2c1,mutagenic
166546-18-5,CCN(CCCl)c1ccc(cc1)c2nc3cc(ccc3[nH]2)c4nc5cc(ccc5[nH]4)N6CCN(C)CC6,non-mutagenic
141899-13-0,COc1cc2OC3(C)OC4OC4C3(C)c2c5OC(=O)C6=C(CCC6=O)c15,non-mutagenic
NOCAS_M551,CCCC[C@@H](CC)COC(=O)c1ccc(C(=O)OC[C@H](CC)CCCC)c(c1)C(=O)OC[C@H](CC)CCCC,non-mutagenic
69658-16-8,OS(=O)(=O)c1ccc(Oc2ccc3c4ccccc4C(=O)c5cccc2c35)cc1,mutagenic
131-12-4,COc1c(OC)c2occc2c3OC(=O)C=Cc13,non-mutagenic
51330-27-9,CC1OC(OC2C(O)C(O)C(CO)OC2OC3C(O)C(O)C(OC3OC4CCC5(C)C(CCC6(C)C5CC=C7C8CC(C)(C)CC(O)C8(C)CCC67C)C4(C)CO)C(=O)O)C(O)C(O)C1O,non-mutagenic
4671-93-6,N#C[Se]Cc1ccccc1,mutagenic
940-14-7,[O-][N+](=O)c1ccc(OC=C)cc1,mutagenic
118745-13-4,CCC(=O)N(O)c1ccc2ccccc2c1,mutagenic
107-31-3,COC=O,non-mutagenic
33779-70-3,C[n+]1c(c2ccc(N)cc2)c3cc(N)ccc3c4ccc(N)cc14,mutagenic
60768-66-3,[O-][N+](=O)c1ccc2sncc2c1,mutagenic
687-47-8,CCOC(=O)[C@H](C)O,non-mutagenic
1162-65-8,COc1cc2O[C@H]3OC=C[C@H]3c2c4OC(=O)C5=C(CCC5=O)c14,mutagenic
557-11-9,NC(=O)NCC=C,mutagenic
64532-97-4,CCCCCCCCCc1ccc(OP(=O)(Oc2ccccc2)Oc3ccccc3)cc1,non-mutagenic
98-87-3,ClC(Cl)c1ccccc1,mutagenic
111990-50-2,C(Cc1cccc2ccccc12)C3CO3,mutagenic
55556-91-7,O=NN1CCC(=O)CC1,mutagenic
491-35-0,Cc1ccnc2ccccc12,mutagenic
138835-35-5,[O-][N+](=O)c1ccc2ccc3nc4ccccc4c5ccc1c2c35,mutagenic
140-64-7,NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1,non-mutagenic
989-38-8,CCNc1cc2OC3=CC(=NCC)C(=CC3=C(c4ccccc4C(=O)OCC)c2cc1C)C,non-mutagenic
23165-19-7,C[N+]1(C)CCOCC1,non-mutagenic
2650-18-2,CCN(Cc1cccc(c1)S(=O)(=O)O)c2ccc(cc2)C(=C3C=CC(=[N+](CC)Cc4cccc(c4)S(=O)(=O)O)C=C3)c5ccccc5S(=O)(=O)O,mutagenic
141-46-8,OCC=O,non-mutagenic
66212-60-0,O[C@@H]1[C@H]2O[C@H]2c3cc4ccc5cccc6ccc(c3[C@@H]1O)c4c56,mutagenic
98911-23-0,CC(=O)N(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c2ccc(Oc3ccc(Cl)cc3)cc2,mutagenic
41037-13-2,Cc1cc(cc2ccccc12)[N+](=O)[O-],mutagenic
1107-26-2,C\C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C)/C)\C=O,non-mutagenic
102822-04-8,[O-][N+](=O)c1ccc2C(=O)C(=O)c3cccc4ccc1c2c34,mutagenic
72869-86-4,CC(CCNC(=O)OCCOC(=O)C(=C)C)CC(C)(C)CNC(=O)OCCOC(=O)C(=C)C,non-mutagenic
598-78-7,CC(Cl)C(=O)O,non-mutagenic
2397-76-4,CC(=C)C(=O)OCC(C)(C)C,non-mutagenic
120812-47-7,[O-][N+](=O)c1ccc2c3CCCCc3c4cccc5ccc1c2c45,mutagenic
188699-17-4,COc1nc2cc(cc(CBr)c2nc1OC)[N+](=O)[O-],mutagenic
60872-63-1,C\C=C/1\CC(C)C(C)(OC(=O)C)C(=O)OCC2=CCN(C)CCC(OC1=O)C2=O,mutagenic
1669-70-1,CC1(CO1)c2ccc(Cl)cc2,mutagenic
84-17-3,C\C=C(\C(=C\C)\c1ccc(O)cc1)/c2ccc(O)cc2,non-mutagenic
746-53-2,[O-][N+](=O)c1cc2C(=O)c3cc(cc(c3c2c(c1)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],mutagenic
NOCAS_M561,CCCC[C@@H](CC)CNC[C@H](CC)CCCC,non-mutagenic
NOCAS_M403,CCOC(=O)[C@@H]1O[C@]1(C)c2ccccc2,non-mutagenic
61756-39-6,CC(=O)C1=C(C(=O)C(=C1)C(C)(C)C)C(C)(C)C,non-mutagenic
99333-90-1,Oc1c(cc2ccc3cccc4ccc1c2c34)[N+](=O)[O-],mutagenic
9002-92-0,CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCO,non-mutagenic
18640-74-9,CC(C)Cc1nccs1,mutagenic
109415-89-6,CCOC(=O)C(C)(C#N)c1snc2ccc(cc12)[N+](=O)[O-],mutagenic
5326-87-4,BrCC(=O)Nc1ccccc1,non-mutagenic
452-06-2,Nc1nc2ncnc2c[nH]1,non-mutagenic
1565-94-2,CC(=C)C(=O)OCC(O)COc1ccc(cc1)C(C)(C)c2ccc(OCC(O)COC(=O)C(=C)C)cc2,non-mutagenic
61421-82-7,COc1ccc(Nc2c3ccccc3nc4ccccc24)cc1,mutagenic
68299-98-9,OCC(=O)N(O)c1ccc(Cl)cc1,non-mutagenic
1874-22-2,[O-][N+](=O)c1oc(\C=C\C=O)cc1,mutagenic
28361-96-8,NC(CSCCCl)C(=O)O,mutagenic
98151-92-9,Nc1ccc2ccc3c4ccccc4cc5ccc1c2c35,mutagenic
16053-71-7,Cc1c2C(O)C(O)c3ccccc3c2cc4ccccc14,mutagenic
22056-82-2,CCOCC=O,non-mutagenic
540-49-8,Br\C=C\Br,mutagenic
2113-57-7,Brc1cccc(c1)c2ccccc2,non-mutagenic
36504-66-2,O1[C@@H]2C=Cc3cc4ccc5cccc6ccc(c3[C@H]12)c4c56,mutagenic
NOCAS_M517,O[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)O[N+](=O)[O-],non-mutagenic
1734-79-8,[O-][N+](=O)c1ccc(\C=C\C=O)cc1,mutagenic
106671-90-3,[O-][N+](=O)c1ccc(cc1)c2nc3sccn3c2N=O,mutagenic
10061-01-5,ClC\C=C/Cl,mutagenic
64224-21-1,CC1=C(SSC1=S)c2cnccn2,non-mutagenic
125372-28-3,Cn1c(N=N#N)nc2ccc3ncccc3c12,mutagenic
126-07-8,COC1=CC(=O)C[C@@H](C)[C@]12Oc3c(Cl)c(OC)cc(OC)c3C2=O,non-mutagenic
28995-89-3,[O-][N+](=O)c1cc(c2c(cc(cc2c1)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],mutagenic
NOCAS_M394,CCC[C@@H](C)C[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O,non-mutagenic
134998-72-4,CCC(CCC(=O)C)COC(=O)CCCCC(=O)O,non-mutagenic
5598-53-8,NC(CC(=O)O)C(=O)O,non-mutagenic
109-64-8,BrCCCBr,non-mutagenic
78-94-4,CC(=O)C=C,mutagenic
591-12-8,CC1=CCC(=O)O1,non-mutagenic
26049-70-7,NNc1nc(cs1)c2ccc(cc2)[N+](=O)[O-],mutagenic
99-55-8,Cc1ccc(cc1N)[N+](=O)[O-],mutagenic
302-84-1,NC(CO)C(=O)O,non-mutagenic
79-14-1,OCC(=O)O,non-mutagenic
2429-71-2,COc1cc(ccc1N=Nc2cc(c3ccccc3c2O)S(=O)(=O)O)c4ccc(N=Nc5cc(c6ccccc6c5O)S(=O)(=O)O)c(OC)c4,non-mutagenic
505-22-6,C1COCOC1,mutagenic
123-32-0,Cc1cnc(C)cn1,non-mutagenic
947-72-8,Clc1cc2ccccc2c3ccccc13,mutagenic
NOCAS_M56,N1[C@@H]2[C@H]1c3ccccc3c4c2ccc5ccccc45,mutagenic
104-46-1,COc1ccc(\C=C\C)cc1,non-mutagenic
54235-20-0,Oc1cc2c3ccccc3c4cccc(c1[N+](=O)[O-])c24,mutagenic
478-45-5,OC(=O)c1cc(O)c2C(=O)c3c(O)cc(O)cc3C(=O)c2c1,non-mutagenic
102408-27-5,CN(C)c1nc2c3cccnc3ccc2n1C,mutagenic
50-49-7,CN(C)CCCN1c2ccccc2CCc3ccccc13,non-mutagenic
13436-58-3,Cn1cc2cccc(c2n1)[N+](=O)[O-],mutagenic
192-97-2,c1ccc2c(c1)c3cccc4ccc5cccc2c5c34,mutagenic
13171-00-1,CC(=O)c1cc(cc2c1CCC2(C)C)C(C)(C)C,non-mutagenic
29590-42-9,CC(C)CCCCCOC(=O)C=C,non-mutagenic
89-40-7,[O-][N+](=O)c1ccc2C(=O)NC(=O)c2c1,mutagenic
2531-84-2,Cc1ccc2c(ccc3ccccc23)c1,mutagenic
78468-34-5,Nc1cc(ccc1CO)[N+](=O)[O-],mutagenic
1649-18-9,Fc1ccc(cc1)C(=O)CCCN2CCN(CC2)c3ccccn3,non-mutagenic
143343-83-3,COc1ccc(CNCC(O)COc2ccc3nc(O)ccc3c2)cc1OC,non-mutagenic
9002-86-2,CCC(Cl)CC(Cl)CC(C)Cl,non-mutagenic
64507-38-6,OC(=O)c1cc(Br)cc2cccnc12,non-mutagenic
13010-10-1,CCCCCN(N=O)C(=N)N[N+](=O)[O-],mutagenic
116374-67-5,CN(C)CCCNc1c2ccccc2nc3c(ccc(c13)[N+](=O)[O-])N(C)C,mutagenic
18774-09-9,CC1(OO)c2ccccc2c3ccccc13,mutagenic
2213-63-0,Clc1nc2ccccc2nc1Cl,non-mutagenic
64920-33-8,OC1C(O)c2ccc3c(ccc4ccccc34)c2C5OC15,mutagenic
5405-53-8,[O-][N+](=O)c1ccc2c(Cc3cc(ccc23)[N+](=O)[O-])c1,mutagenic
610-28-6,OC(=O)c1cc(ccc1[N+](=O)[O-])[N+](=O)[O-],mutagenic
2400-17-1,CNc1snc2ccccc12,non-mutagenic
121808-62-6,OC(=O)C1CSCN1C(=O)C2CCC(=O)N2,non-mutagenic
55691-69-5,[O-][N+](=O)c1ccc2c3ccccc3c4ccc(c1c24)[N+](=O)[O-],mutagenic
83053-58-1,CCCOc1cc2C(=O)CCc2c3ccc4ccccc4c13,non-mutagenic
145438-96-6,CNC(=O)c1c(ncn1C)N(C)N=O,non-mutagenic
33419-42-0,COc1cc(cc(OC)c1O)C2C3C(COC3=O)C(OC4OC5COC(C)OC5C(O)C4O)c6cc7OCOc7cc26,non-mutagenic
499-12-7,OC(=O)C\C(=C\C(=O)O)\C(=O)O,non-mutagenic
130536-40-2,OC1C=Cc2cccnc2C1O,non-mutagenic
95840-05-4,OC1C=CC2OC2C1O,mutagenic
10373-78-1,CC1(C)C2CCC1(C)C(=O)C2=O,non-mutagenic
135086-93-0,Oc1c2nc3ccccc3c2nnn1\N=C\c4ccc(Cl)cc4,mutagenic
147151-61-9,CC12CCC3C(CCC4CC(CCC34C)OC(=O)\C=C\c5cccc(c5)N(CCCl)CCCl)C1CCC(=O)N2,mutagenic
513-88-2,CC(=O)C(Cl)Cl,mutagenic
NOCAS_M35,C[C@@H](O)CN(C[C@@H](C)O)N=O,mutagenic
80789-74-8,OS(=O)(=O)c1ccc2NC(=O)C(=O)c2c1,mutagenic
119613-13-7,CCCC(=O)OCc1cccc(c1)[N+](=O)[O-],non-mutagenic
112022-05-6,CN(C)CCNC(=O)c1cccc2cc3ccccc3cc12,mutagenic
112309-61-2,CC1=C(Cl)C(=O)OC1O,mutagenic
244-63-3,c1ccc2c(c1)[nH]c3cnccc23,mutagenic
NOCAS_M270,N[C@H](CS)C(=O)O,mutagenic
619-23-8,[O-][N+](=O)c1cccc(CCl)c1,mutagenic
NOCAS_M157,CCN(CC)CCC[C@@H](C)Nc1cc(OC)cc2cccnc12,mutagenic
80-54-6,CC(CC=O)c1ccc(cc1)C(C)(C)C,non-mutagenic
120388-69-4,O=Nc1ccc2ccc3c4ccccc4cc5ccc1c2c35,mutagenic
58-14-0,CCc1nc(N)nc(N)c1c2ccc(Cl)cc2,non-mutagenic
5443-49-2,Br\C(=C/c1ccccc1)\C=O,mutagenic
627-93-0,COC(=O)CCCCC(=O)OC,non-mutagenic
61996-71-2,OS(=O)(=O)Oc1ccc2ccc3c4ccccc4cc5ccc1c2c35,non-mutagenic
2465-27-2,CN(C)c1ccc(cc1)C(=N)c2ccc(cc2)N(C)C,mutagenic
4097-53-4,Oc1c(cc(cc1[N+](=O)[O-])c2ccccc2)[N+](=O)[O-],mutagenic
65945-06-4,Oc1ccc2c(ccc3c4ccccc4ccc23)c1,mutagenic
279242-17-0,CC(C)(C)c1ccc(cc1)c2ccc(cc2)N=O,mutagenic
77094-11-2,Cc1cc2ncccc2c3nc(N)n(C)c13,mutagenic
3764-01-0,Clc1cc(Cl)nc(Cl)n1,non-mutagenic
1064-48-8,Nc1c(N=Nc2ccc(cc2)[N+](=O)[O-])c(cc3cc(c(N=Nc4ccccc4)c(O)c13)S(=O)(=O)O)S(=O)(=O)O,mutagenic
610-67-3,CCOc1ccccc1[N+](=O)[O-],mutagenic
71382-44-0,N1C2C1c3cc4ccccc4cc3c5ccccc25,mutagenic
NOCAS_M159,C=C[C@H]1CO1,mutagenic
1212-29-9,S=C(NC1CCCCC1)NC2CCCCC2,non-mutagenic
5633-20-5,CCN(CC)CC#CCOC(=O)C(O)(C1CCCCC1)c2ccccc2,non-mutagenic
106532-61-0,CCC(=O)\N=C\1/SN(C(=O)CC)c2ccc(cc12)[N+](=O)[O-],mutagenic
98-37-3,Nc1cc(ccc1O)S(=O)(=O)O,non-mutagenic
2082-79-3,CCCCCCCCCCCCCCCCCCOC(=O)CCc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C,non-mutagenic
35001-52-6,CCOc1ccc(cc1NC(=O)C(=O)Nc2ccccc2CC)C(C)(C)C,non-mutagenic
75-17-2,ON=C,non-mutagenic
773-76-2,Oc1c(Cl)cc(Cl)c2cccnc12,non-mutagenic
95186-19-9,Nc1nc(c(CCO)c2ncnn12)c3ccccc3,non-mutagenic
37853-59-1,Brc1cc(Br)c(OCCOc2c(Br)cc(Br)cc2Br)c(Br)c1,non-mutagenic
142534-71-2,CC1(C(Cl)Cl)C2C(Cl)C(Cl)C1(C(Cl)Cl)C(Cl)C2Cl,non-mutagenic
67410-22-4,Nc1ccc2ccc3ccccc3c2n1,mutagenic
31555-54-1,ClC(=C1OC(=O)C(=C1Cl)Cl)Cl,mutagenic
6730-83-2,CC12CCCC(C)(C1CCC34CC(CCC23)C(=C)C4)C(=O)O,non-mutagenic
141691-42-1,Cn1c(N)nc2ccc(cc12)C#N,mutagenic
1689-84-5,Oc1c(Br)cc(cc1Br)C#N,non-mutagenic
921-14-2,CC(C)N(N)C(C)C,mutagenic
119914-60-2,CC1CN(CCN1)c2cc3N(C=C(C(=O)O)C(=O)c3c(C)c2F)C4CC4,non-mutagenic
674-82-8,C=C1CC(=O)O1,non-mutagenic
172374-58-2,CC(=O)Nc1ccc(Oc2ccc(cc2)N(O)C(=O)C)cc1,mutagenic
NOCAS_M452,CCCC[C@@H](CC)COCCCN,non-mutagenic
NOCAS_M299,Cn1c(ncc1[N+](=O)[O-])[C@H]2NC(CO)(CO)CO2,mutagenic
145439-03-8,CNc1ncn(C)c1C(=O)N(C)N=O,mutagenic
1066-40-6,C[Si](C)(C)O,non-mutagenic
329-71-5,Oc1cc(ccc1[N+](=O)[O-])[N+](=O)[O-],mutagenic
119-90-4,COc1cc(ccc1N)c2ccc(N)c(OC)c2,mutagenic
5862-77-1,CCOc1ccc(N)cc1N,mutagenic
159092-68-9,[O-][N+](=O)c1cccc2c3ccccc3cc(c12)[N+](=O)[O-],mutagenic
106428-28-8,CC12CCCC(C)(C1CCC34CC(O)(CCC23)C(=C)C4=O)C(=O)O,mutagenic
157730-36-4,Cn1c(N)nc2nc3ccncc3cc12,non-mutagenic
581-50-0,c1ccc(nc1)c2cccnc2,mutagenic
88133-11-3,CCOCCc1c(nc(N)n2ncnc12)c3ccccc3,non-mutagenic
98736-51-7,COC(=O)c1ccc(CN(C)N=O)cc1,non-mutagenic
107759-11-5,CCOC(=O)N(N=O)C(CCC=O)c1cccnc1,mutagenic
486-56-6,CN1C(CCC1=O)c2cccnc2,non-mutagenic
14170-43-5,Nc1cc(c2cccc(c2c1)S(=O)(=O)O)S(=O)(=O)O,non-mutagenic
150-90-3,OC(=O)CCC(=O)O,non-mutagenic
634-91-3,Nc1cc(Cl)c(Cl)c(Cl)c1,non-mutagenic
129927-37-3,CCNCC#CC(C)(C)OC(=O)C(O)(C1CCCCC1)c2ccccc2,non-mutagenic
106-58-1,CN1CCN(C)CC1,non-mutagenic
95933-74-7,N\C(=N/O)\c1cc(O)c(O)c(O)c1,mutagenic
124-40-3,CNC,non-mutagenic
87-83-2,Cc1c(Br)c(Br)c(Br)c(Br)c1Br,non-mutagenic
NOCAS_M44,O[C@@H]1c2ccccc2c3ccc(cc13)[N+](=O)[O-],mutagenic
98114-61-5,OCCCN=N,mutagenic
75-07-0,CC=O,non-mutagenic
335-76-2,OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,non-mutagenic
93673-34-8,O1C2C1c3cc4cc5ccccc5cc4c6cccc2c36,mutagenic
107-19-7,OCC#C,mutagenic
117929-13-2,[O-][N+](=O)c1cc2CCc3cc(cc4CCc(c1)c2c34)[N+](=O)[O-],mutagenic
62018-89-7,OCCCCN(CCO)N=O,mutagenic
60878-02-6,[O-][N+](=O)c1oc(\C=N\c2snc3ccccc23)cc1,mutagenic
173216-45-0,OCC(CN=N#N)Cc1ccccc1,mutagenic
118326-90-2,Brc1ccc2C3CCCCC3C=Cc2c1,non-mutagenic
52547-00-9,Cc1cc(N)sn1,mutagenic
330-55-2,CON(C)C(=O)Nc1ccc(Cl)c(Cl)c1,mutagenic
87009-12-9,OC(CN=N#N)CN1C=CC(=O)NC1=O,mutagenic
86-30-6,O=NN(c1ccccc1)c2ccccc2,non-mutagenic
33813-20-6,S=C1SSC2=NCCN12,non-mutagenic
NOCAS_M347,COC(=O)[C@H]([C@H]1CCCCN1)c2ccccc2,non-mutagenic
18458-01-0,Cc1ccc(CC2CO2)cc1,mutagenic
105-60-2,O=C1CCCCCN1,non-mutagenic
76180-96-6,Cn1c(N)nc2c3cccnc3ccc12,mutagenic
NOCAS_M16,C[C@@H](O)CN(C)N=O,mutagenic
91254-96-5,Oc1cc2cccc3ccc4c(ccc1c4c23)[N+](=O)[O-],mutagenic
115085-17-1,O1C=CC=Cc2c1c3cc4ccccc4cc3c5ccccc25,mutagenic
82789-18-2,OC(=O)C1Cc2c([nH]c3ccccc23)C(N1)c4ccccc4,non-mutagenic
91575-29-0,CC(=O)Nc1ccc(Cc2ccc(NC(=O)C)c(Cl)c2)cc1Cl,mutagenic
84987-77-9,ClCCOC\C(=C/Cl)\Cl,mutagenic
1204-60-0,O=Cc1cccc(c1)c2ccccc2,non-mutagenic
104535-31-1,CC(O)Cc1cc(N)cc(c1N)[N+](=O)[O-],non-mutagenic
23564-05-8,COC(=O)NC(=S)Nc1ccccc1NC(=S)NC(=O)OC,mutagenic
108-59-8,COC(=O)CC(=O)OC,non-mutagenic
95-85-2,Nc1cc(Cl)ccc1O,mutagenic
29927-08-0,Cc1cc2nc(N)sc2cc1C,mutagenic
65002-17-7,CC(C)(S)C(=O)NC(CS)C(=O)O,non-mutagenic
194-69-4,c1ccc2c(c1)ccc3c2ccc4ccc5ccccc5c34,mutagenic
158729-28-3,Clc1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1Cl,non-mutagenic
92180-79-5,Cc1nc2ccc3c(nc(N)n3C)c2nc1C,mutagenic
88-74-4,Nc1ccccc1[N+](=O)[O-],non-mutagenic
109-97-7,c1cc[nH]c1,non-mutagenic
2314-97-8,FC(F)(F)I,mutagenic
161697-03-6,Cc1nc2ccc(N)c(C)c2nc1C,mutagenic
2940-63-8,COC1=CC(=O)C(=O)C(=C1)C(C)(C)C,non-mutagenic
59229-75-3,Cc1c(N)cc(cc1N)[N+](=O)[O-],mutagenic
68107-25-5,C[C@H]1C[C@H]2OC(=O)[C@H](C)[C@H]2C[C@@]3(C)[C@H](O)C[C@H](O)C[C@H]13,mutagenic
78415-72-2,Cc1nc(O)c(cc1c2ccncc2)C#N,non-mutagenic
75321-20-9,[O-][N+](=O)c1cc(c2ccc3cccc4ccc1c2c34)[N+](=O)[O-],mutagenic
65734-38-5,CC(=O)NNc1ccc(CO)cc1,mutagenic
2234-13-1,Clc1c(Cl)c(Cl)c2c(Cl)c(Cl)c(Cl)c(Cl)c2c1Cl,non-mutagenic
105708-67-6,CC(=O)OC1Cc2cc3cccc4ccc5ccc1c2c5c34,mutagenic
6637-88-3,Cc1cc(c(N)c(N=Nc2ccc(cc2C)c3ccc(N=Nc4ccc(O)c(c4)C(=O)O)c(C)c3)c1N)S(=O)(=O)O,mutagenic
100-16-3,NNc1ccc(cc1)[N+](=O)[O-],mutagenic
NOCAS_M397,CC[C@@H](C)[C@H](C)CO,non-mutagenic
19866-61-6,[O-][n+]1cc2cccnc2cn1,non-mutagenic
63390-12-5,Nc1ccc(cc1Cl)c2cc(Cl)c(N)c(Cl)c2,mutagenic
142044-38-0,[O-][n+]1cccc2C3OC3C=Cc12,non-mutagenic
156-59-2,Cl\C=C/Cl,non-mutagenic
621-42-1,CC(=O)Nc1cccc(O)c1,non-mutagenic
24305-27-9,NC(=O)C1CCCN1C(=O)C(Cc2c[nH]cn2)NC(=O)C3CCC(=O)N3,non-mutagenic
60877-92-1,Oc1ccc(\C=N\c2snc3ccccc23)cc1,mutagenic
31125-05-0,CC(=O)c1ccc(cc1)N=O,mutagenic
NOCAS_M280,CC(C)NC[C@@H]1CCc2cc(CO)c(cc2N1)[N+](=O)[O-],mutagenic
80-15-9,CC(C)(OO)c1ccccc1,mutagenic
82-33-7,Nc1ccc(N)c2C(=O)c3c(cccc3[N+](=O)[O-])C(=O)c12,mutagenic
139-13-9,OC(=O)CN(CC(=O)O)CC(=O)O,non-mutagenic
303-98-0,COC1=C(OC)C(=O)C(=C(C)C1=O)C\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CCC=C(C)C,non-mutagenic
9003-53-6,C[C@H](CCc1ccccc1)c2ccccc2,non-mutagenic
119631-01-5,Cc1ccc2nc3cc(C)c(N)cc3nc2c1N,mutagenic
67-68-5,CS(=O)C,non-mutagenic
613-93-4,CNC(=O)c1ccccc1,non-mutagenic
3570-75-0,[O-][N+](=O)c1oc(cc1)c2csc(NNC=O)n2,mutagenic
110-71-4,COCCOC,mutagenic
78448-09-6,Oc1cccc2c1ccc3[nH]c4ccc5ccccc5c4c23,mutagenic
812-00-0,COP(=O)(O)O,non-mutagenic
123-86-4,CCCCOC(=O)C,non-mutagenic
2227-17-0,ClC1=C(Cl)C(Cl)(C(=C1Cl)Cl)C2(Cl)C(=C(Cl)C(=C2Cl)Cl)Cl,mutagenic
88598-57-6,[O-][N+](=O)c1ccc2ccc3c4CCCCc4cc5ccc1c2c35,mutagenic
530-78-9,OC(=O)c1ccccc1Nc2cccc(c2)C(F)(F)F,non-mutagenic
824-94-2,COc1ccc(CCl)cc1,non-mutagenic
632-21-3,ClC(Cl)C(=O)C(Cl)Cl,mutagenic
109897-80-5,OC1C(O)c2cc3ccc(cc3cc2CC1=O)[N+](=O)[O-],non-mutagenic
NOCAS_M112,CC[C@H]1CO1,mutagenic
146177-62-0,Cc1nc2c(C)c(C)c3c(nc(N)n3C)c2nc1C,mutagenic
16783-47-4,C=CN=Nc1ccccc1,mutagenic
NOCAS_M328,CN1C[C@@H](c2ccccc2)c3cccc(N)c3C1,non-mutagenic
55804-66-5,CCOC(=O)C1=Cc2cc3CCCN4CCCc(c2OC1=O)c34,non-mutagenic
20426-12-4,Oc1ccc(\C=C\C(=O)c2ccccc2)cc1,non-mutagenic
35144-55-9,OC(=O)CC(NC(=O)COc1ccc(Cl)cc1Cl)C(=O)O,non-mutagenic
533-73-3,Oc1ccc(O)c(O)c1,mutagenic
123-39-7,CNC=O,non-mutagenic
163275-60-3,Fc1cccc2c1ccc3cccnc23,mutagenic
52278-77-0,NC1=NC(=O)N(C=C1O)C2CC(O)C(CO)O2,non-mutagenic
102791-34-4,[O-][N+](=O)c1ccc2ccc3cccc4C(=O)Oc1c2c34,mutagenic
142713-67-5,CC(NCc1ccccc1)C(=O)NCc2ccccc2,non-mutagenic
83-26-1,CC(C)(C)C(=O)C1C(=O)c2ccccc2C1=O,non-mutagenic
99-51-4,Cc1ccc(cc1C)[N+](=O)[O-],mutagenic
4803-27-4,Cc1ccc2C(=O)N3C=C(CC3C(O)Nc2c1O)\C=C\C(=O)N,mutagenic
NOCAS_M451,COC(=C1[C@H](C(=C(C)N=C1C)C(=O)OCC(=O)C)c2ccccc2[N+](=O)[O-])O,non-mutagenic
110004-65-4,CS(=O)(=O)Nc1ccc(Nc2c3ccc(cc3nc4cc(ccc24)N=N#N)N=N#N)cc1,mutagenic
606-31-5,[O-][N+](=O)c1cccc(c1C=O)[N+](=O)[O-],mutagenic
88488-97-5,Oc1ccc2c(c1)c3ccccc3c4cc5ccccc5cc24,mutagenic
60032-80-6,C1CCc2c(C1)cc3c4ccccc4cc5c6ccccc6c2c35,mutagenic
117549-85-6,N\C(=N/OC1OC(C(O)C(O)C1O)C(=O)O)\c2ccccc2,non-mutagenic
66357-59-3,CN\C(=C\[N+](=O)[O-])\NCCSCc1oc(CN(C)C)cc1,non-mutagenic
118745-15-6,O=Nc1c2ccccc2c3ccc4cccc5ccc1c3c45,mutagenic
50-79-3,OC(=O)c1cc(Cl)ccc1Cl,non-mutagenic
83435-67-0,CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N(CC(=O)O)C2Cc3ccccc3C2,non-mutagenic
13177-31-6,[O-][N+](=O)c1cccc2c3cccc4cccc(c12)c34,mutagenic
39720-27-9,CC(=O)Oc1ccc(CCl)cc1,mutagenic
315-30-0,Oc1[nH]cnc2nncc12,non-mutagenic
95-55-6,Nc1ccccc1O,mutagenic
26541-51-5,O=NN1CCSCC1,mutagenic
1838-94-4,CC1(CO1)C=C,non-mutagenic
33448-26-9,CNC1Cc2cccc3cccc(C1)c23,mutagenic
75586-69-5,C[n+]1c2ccccc2cc3cc(N)ccc13,mutagenic
84498-34-0,Oc1cc2ccccc2c3ccc4ccccc4c13,non-mutagenic
91897-48-2,CN1CC(=C[C@@H]2[C@H]1Cc3cn(CC=C)c4cccc2c34)CO,mutagenic
4261-14-7,Nc1ncnc2c1ncn2Cc3ccccc3,mutagenic
25834-80-4,Nc1ccc(Cc2ccc(N)c(Cc3ccc(N)cc3)c2)cc1,mutagenic
542-56-3,CC(C)CON=O,mutagenic
106871-13-0,Cc1ccc(cc1N(CCCl)CCCl)C(O)(P(=O)(O)O)P(=O)(O)O,mutagenic
7492-66-2,CCOC(OCC)\C=C(\C)/CCC=C(C)C,non-mutagenic
94-58-6,CCCc1ccc2OCOc2c1,non-mutagenic
93957-55-2,CC(C)n1c(\C=C\[C@H](O)C[C@@H](O)CC(=O)O)c(c2ccc(F)cc2)c3ccccc13,non-mutagenic
53340-16-2,CC[N+](=C1C=CC2=Nc3c(OC2=C1)cc(N)c4ccccc34)CC,mutagenic
2243-61-0,Nc1ccc(N)c2ccccc12,mutagenic
20589-85-9,Cl\C=C(/Cl)\C(Cl)Cl,mutagenic
637-07-0,CCOC(=O)C(C)(C)Oc1ccc(Cl)cc1,non-mutagenic
54749-90-5,OCC(O)C(O)C(O)C(NC(=O)N(CCCl)N=O)C=O,mutagenic
20324-66-7,Cc1cc(O)c2C(=O)c3c(O)cc(O)c(O)c3C(=O)c2c1,mutagenic
108-46-3,Oc1cccc(O)c1,non-mutagenic
17526-24-8,CC(=O)OCc1c2ccccc2cc3c1ccc4ccccc34,mutagenic
54827-17-7,Cc1cc(cc(C)c1N)c2cc(C)c(N)c(C)c2,non-mutagenic
85-33-6,CC(=C)c1ccc(C)c2ccc(C=O)c2c1,mutagenic
144425-09-2,COc1ccc2cc(c3C=CC(=O)Oc3c2c1)[N+](=O)[O-],mutagenic
109237-00-5,CC(=O)C1=CCC2C3=CCC4=CC(O)C(O)CC4(C)C3CC(O)C12C,non-mutagenic
50-30-6,OC(=O)c1c(Cl)cccc1Cl,non-mutagenic
118995-84-9,CC(C)(C)NC(=O)SCC(NC(=O)CCC(N)C(=O)O)C(=O)NCC(=O)O,non-mutagenic
556-08-1,CC(=O)Nc1ccc(cc1)C(=O)O,non-mutagenic
78-11-5,[O-][N+](=O)OCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-],non-mutagenic
699-18-3,[O-][N+](=O)\C=C\c1occc1,non-mutagenic
2880-58-2,COC1=CC(=O)C=CC1=O,non-mutagenic
115459-65-9,[O-][N+](=O)c1ccc(cc1)C(=O)OC[C@H]2CO2,mutagenic
55936-77-1,CN(OC(=O)C)c1ccc(cc1)N=Nc2ccccc2,mutagenic
17627-75-7,COc1ccc(\C=C\C)c(OC)c1,non-mutagenic
199536-65-7,ClC1=C(CBr)COC1=O,mutagenic
116530-07-5,Cc1cccc2ccc(cc12)[N+](=O)[O-],mutagenic
NOCAS_M172,O[C@@H]1CCO[P@](=O)(N1)N(CCCl)CCCl,mutagenic
931-97-5,OC1(CCCCC1)C#N,non-mutagenic
69839-83-4,ONC(=O)c1ccc(O)c(O)c1,mutagenic
5845-67-0,CC(C)CC1NC(=O)CNC1=O,non-mutagenic
103-30-0,C(=C\c1ccccc1)/c2ccccc2,non-mutagenic
51857-25-1,Cc1c(cc(cc1[N+](=O)[O-])N=[N+]([O-])c2cc(c(C)c(c2)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],mutagenic
136112-70-4,Nc1nc(nc2c1ncn2c3ccc(cc3)[N+](=O)[O-])c4ccc(cc4)[N+](=O)[O-],mutagenic
608-71-9,Oc1c(Br)c(Br)c(Br)c(Br)c1Br,non-mutagenic
57018-52-7,C[C@@H](O)COC(C)(C)C,mutagenic
50-76-0,CC(C)[C@@H]1NC(=O)[C@@H](NC(=O)C2=C(N)C(=O)C(=C3Oc4c(C)ccc(C(=O)N[C@H]5[C@@H](C)OC(=O)[C@@H](C(C)C)N(C)C(=O)CN(C)C(=O)[C@@H]6CCCN6C(=O)[C@@H](NC5=O)C(C)C)c4N=C23)C)[C@H](C)OC(=O)[C@H](C(C)C)N(C)C(=O)CN(C)C(=O)[C@@H]7CCCN7C1=O,non-mutagenic
20917-49-1,O=NN1CCCCCCC1,mutagenic
80-09-1,Oc1ccc(cc1)S(=O)(=O)c2ccc(O)cc2,non-mutagenic
3237-50-1,OC1(O)C(=O)NC(=O)NC1=O,non-mutagenic
53716-49-7,CC(C(=O)O)c1ccc2c(c1)[nH]c3ccc(Cl)cc23,non-mutagenic
NOCAS_M557,CC[C@@H](CO)[N+](=O)[O-],non-mutagenic
116505-53-4,OC(=O)CCCc1ccc(NCCCl)cc1,mutagenic
106-43-4,Cc1ccc(Cl)cc1,non-mutagenic
15826-37-6,OC(COc1cccc2OC(=CC(=O)c12)C(=O)O)COc3cccc4OC(=CC(=O)c34)C(=O)O,non-mutagenic
191861-19-5,Fc1cc2cccnc2c3ncccc13,mutagenic
235760-37-9,Cc1cc(C)c2nsnc2c1N,mutagenic
105361-85-1,ONc1cccc(c1)c2ccccc2,non-mutagenic
81-16-3,Nc1ccc2ccccc2c1S(=O)(=O)O,mutagenic
15307-79-6,OC(=O)Cc1ccccc1Nc2c(Cl)cccc2Cl,non-mutagenic
133-32-4,OC(=O)CCCc1c[nH]c2ccccc12,non-mutagenic
106589-49-5,C1Cc2ccc3nc4ccc5ccccc5c4cc3c2C=C1,mutagenic
91254-93-2,Oc1cc2c(ccc3ccc4cccc1c4c23)[N+](=O)[O-],mutagenic
88-06-2,Oc1c(Cl)cc(Cl)cc1Cl,non-mutagenic
534-22-5,Cc1occc1,non-mutagenic
124-02-7,C=CCNCC=C,non-mutagenic
534-52-1,Cc1cc(cc(c1O)[N+](=O)[O-])[N+](=O)[O-],non-mutagenic
10396-68-6,OC1COC(Nc2ccc(cc2)C(=O)O)C(O)C1O,non-mutagenic
129833-03-0,CC(=O)C1(C)OC12C(=O)C=Cc3ccccc23,non-mutagenic
16354-52-2,CCc1c2ccccc2c(CC)c3c1ccc4ccccc34,non-mutagenic
1072-83-9,CC(=O)c1ccc[nH]1,mutagenic
17626-02-7,COc1cc(N)c(OC)cc1N,mutagenic
262-20-4,O1c2ccccc2Sc3ccccc13,non-mutagenic
257948-44-0,[O-][N+](=O)c1ccc2c(c1)c3nc4ccccc4c5c6ccccc6nc2c35,mutagenic
7213-59-4,COc1cc2C(=O)c3cc(C)cc(O)c3C(=O)c2c(O)c1O,mutagenic
1121-55-7,C=Cc1cccnc1,non-mutagenic
113-98-4,CC1(C)S[C@@H]2[C@@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(=O)O,non-mutagenic
1606-67-3,Nc1ccc2ccc3cccc4ccc1c2c34,mutagenic
5323-95-5,CCCCCC[C@H](O)C\C=C/CCCCCCCC(=O)O,non-mutagenic
67616-44-8,OCCSN=O,mutagenic
3844-63-1,O=NN1CCNC1=O,mutagenic
41340-25-4,CCc1cccc2c3CCOC(CC)(CC(=O)O)c3[nH]c12,non-mutagenic
590-21-6,C\C=C\Cl,mutagenic
573-58-0,Nc1c(cc(c2ccccc12)S(=O)(=O)O)N=Nc3ccc(cc3)c4ccc(cc4)N=Nc5cc(c6ccccc6c5N)S(=O)(=O)O,mutagenic
NOCAS_M253,[O-][N+](=O)c1ccc(OC[C@H]2CO2)cc1,mutagenic
239-35-0,c1ccc2c(c1)ccc3c4ccccc4sc23,mutagenic
6358-23-2,Oc1ccccc1Nc2ccc(cc2[N+](=O)[O-])[N+](=O)[O-],mutagenic
61695-74-7,C1O[C@@H]1c2ccc3ccc4cccc5ccc2c3c45,mutagenic
79-46-9,CC(C)[N+](=O)[O-],mutagenic
1319-69-3,OCC(O)COP(=O)(O)O,non-mutagenic
1401-55-4,Oc1cc(cc(O)c1O)C(=O)OCC2OC(OC(=O)c3cc(O)c(OC(=O)c4cc(O)c(O)c(O)c4)c(O)c3)C(OC(=O)c5cc(O)c(O)c(O)c5)C(OC(=O)c6cc(O)c(O)c(O)c6)C2OC(=O)c7cc(O)c(O)c(O)c7,non-mutagenic
55-18-5,CCN(CC)N=O,mutagenic
100-19-6,CC(=O)c1ccc(cc1)[N+](=O)[O-],mutagenic
69866-21-3,COc1c(O)c2N(CCc2c3cc([nH]c13)C(=O)N4CCc5c4c(O)c(OC)c6[nH]c(cc56)C(=O)N7CC8CC89C7=CC(=O)c%10[nH]cc(C)c9%10)C(=O)N,non-mutagenic
128753-82-2,COC12OOC1(C)Oc3ccccc23,mutagenic
2208-41-5,COc1cc2c(CCNC(=O)C)c[nH]c2cc1O,non-mutagenic
39482-21-8,C[Si](C)(C)CN(N=O)C(=O)N,mutagenic
51483-40-0,ClC(CBr)CBr,mutagenic
620-89-3,Cc1ccc(Nc2ccc(cc2)[N+](=O)[O-])cc1,mutagenic
NOCAS_M555,CC(C)OC(=O)C[C@@](O)(CC(=O)O)C(=O)O,non-mutagenic
134-03-2,OC[C@H](O)[C@H]1OC(=C(O)C1=O)O,non-mutagenic
NOCAS_M27,O[C@H]1C=C2c3ccc4ccccc4c3c5cccc([C@@H]1O)c25,mutagenic
55738-54-0,CN(C)CNc1oc(\C=C\c2oc(cc2)[N+](=O)[O-])nn1,mutagenic
57-57-8,O=C1CCO1,mutagenic
65-45-2,NC(=O)c1ccccc1O,non-mutagenic
15104-03-7,CC1CCN(CC1)N=O,mutagenic
18715-54-3,C[Si](C)(CCCOCC1CO1)c2ccc(cc2)[Si](C)(C)CCCOCC3CO3,mutagenic
NOCAS_M205,CC(C)(C)OC[C@H]1CO1,mutagenic
89-75-8,ClC(=O)c1ccc(Cl)cc1Cl,mutagenic
105-67-9,Cc1ccc(O)c(C)c1,mutagenic
6098-44-8,CC(=O)ON(C(=O)C)c1ccc2c(Cc3ccccc23)c1,mutagenic
2432-99-7,NCCCCCCCCCCC(=O)O,non-mutagenic
689-98-5,NCCCl,mutagenic
1127-45-3,Oc1cccc2ccc[n+]([O-])c12,non-mutagenic
26227-73-6,CCCCc1ccc(cc1)\N=C/c2ccc(OC)cc2,mutagenic
83-67-0,CN1C(=O)NC(=O)c2c1ncn2C,non-mutagenic
19213-09-3,CC(O)CC(=O)Nc1ccc(O)cc1,non-mutagenic
62-23-7,OC(=O)c1ccc(cc1)[N+](=O)[O-],mutagenic
5711-16-0,CC1CC23CCC4C(C)(CCCC4(C)C(=O)O)C2CCC1(O)C3,non-mutagenic
765-87-7,O=C1CCCCC1=O,mutagenic
6728-26-3,CCC\C=C\C=O,mutagenic
158729-25-0,[O-][N+](=O)c1cccc(NS(=O)(=O)c2cccc3cccnc23)c1,non-mutagenic
565-64-0,OC(=O)C(Cl)CCl,non-mutagenic
107-02-8,C=CC=O,mutagenic
146795-43-9,[O-][N+](=O)c1cc(cs1)C(=O)Nc2ccccc2Br,mutagenic
137-66-6,CCCCCCCCCCCCCCCC(=O)OCC(O)C1OC(=C(O)C1=O)O,non-mutagenic
107793-72-6,CC(=O)N(CC(O)CO)c1c(I)c(C(=O)NCCO)c(I)c(C(=O)NCC(O)CO)c1I,non-mutagenic
68641-49-6,ClP(=O)(N1CCOC1=O)N2CCOC2=O,mutagenic
62674-12-8,ClC1=C(Cl)C(=O)OC1,mutagenic
71721-78-3,[O-][N+](=O)c1ccc2Oc3cc(Cl)c(Cl)cc3Oc2c1,mutagenic
98640-41-6,NC(CSC(F)(F)C(F)(F)C(F)F)C(=O)O,non-mutagenic
7700-17-6,COP(=O)(OC)O\C(=C/C(=O)O[C@@H](C)c1ccccc1)\C,non-mutagenic
611-13-2,COC(=O)c1occc1,non-mutagenic
623-05-2,OCc1ccc(O)cc1,non-mutagenic
NOCAS_M542,CCCC[C@@H](CC)COP(=O)(Oc1ccccc1)Oc2ccccc2,non-mutagenic
1148-79-4,c1ccc(nc1)c2cccc(n2)c3ccccn3,mutagenic
93535-04-7,Nc1ccc(\C=C\c2cccc(Cl)c2)cc1,mutagenic
98-57-7,CS(=O)(=O)c1ccc(Cl)cc1,non-mutagenic
101-26-8,CN(C)C(=O)Oc1ccc[n+](C)c1,non-mutagenic
500-38-9,CC(Cc1ccc(O)c(O)c1)C(C)Cc2ccc(O)c(O)c2,non-mutagenic
195-27-7,c1ccc2c(c1)ncc3cnc4ccccc4c23,non-mutagenic
107-13-1,C=CC#N,mutagenic
22769-68-2,COC(=O)Nc1nc2cc(O)ccc2[nH]1,non-mutagenic
3414-62-8,OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(NO)ncnc23,mutagenic
2481-94-9,CCN(CC)c1ccc(cc1)N=Nc2ccccc2,non-mutagenic
104-28-9,CCOCCOC(=O)\C=C/c1ccc(OC)cc1,non-mutagenic
934-32-7,Nc1nc2ccccc2[nH]1,non-mutagenic
73-22-3,N[C@H](Cc1c[nH]c2ccccc12)C(=O)O,non-mutagenic
6367-36-8,CC(C)(C)OC(=O)CN=N#N,mutagenic
3442-62-4,[O-][N+](=O)c1ccc2nc3ccccc3nc2c1,mutagenic
3694-52-8,Nc1cccc(c1N)[N+](=O)[O-],mutagenic
99240-66-1,CCN(C(=O)C)c1ccc2c(Cc3ccccc23)c1,mutagenic
NOCAS_M303,C[C@H](I)[C@@H]1OC[C@@H](CO)O1,mutagenic
133591-33-0,Cc1cc(c(C)c2c3ccccc3[nH]c12)[N+](=O)[O-],mutagenic
105579-74-6,Oc1ccc2C3C4OC4C(=O)c5c(O)ccc(C6C7OC7C(=O)c1c26)c35,mutagenic
142-09-6,CCCCCCOC(=O)C(=C)C,non-mutagenic
61439-60-9,CS(=O)(=O)OCCc1ccc(OCc2ccccc2)cc1,mutagenic
5956-39-8,CC1(C)CCCC2(C)C1CC=C(C=O)C2C=O,non-mutagenic
106-40-1,Nc1ccc(Br)cc1,non-mutagenic
1718-34-9,OC(=O)c1cc(ccc1O)N=Nc2ccc(cc2)[N+](=O)[O-],mutagenic
160543-16-8,Cc1ccc2nc3c4ccccc4C(O)C(O)c3c(C)c2c1,non-mutagenic
2642-98-0,Nc1cc2c3ccccc3ccc2c4ccccc14,mutagenic
131229-64-6,CCCCON(OC(=O)C)C(=O)c1ccc(cc1)[N+](=O)[O-],mutagenic
75005-80-0,NC(CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)C(=O)O,non-mutagenic
109-06-8,Cc1ccccn1,non-mutagenic
158729-27-2,Clc1ccc(NS(=O)(=O)c2cccc3cccnc23)c(Cl)c1,non-mutagenic
31566-31-1,CCCCCCCCCCCCCCCCCC(=O)OCC(O)CO,non-mutagenic
105650-23-5,Cn1c(N)nc2ncc(cc12)c3ccccc3,mutagenic
7230-71-9,Cc1ccc2cc3ccc4ccccc4c3nc2c1,mutagenic
1119-48-8,CNCCCC(=O)O,non-mutagenic
14371-10-9,O=C\C=C/c1ccccc1,mutagenic
56-23-5,ClC(Cl)(Cl)Cl,non-mutagenic
104-54-1,OC\C=C\c1ccccc1,non-mutagenic
96-48-0,O=C1CCCO1,non-mutagenic
66291-31-4,Cc1ccc2ccc3ccccc3c2c1C,non-mutagenic
42200-33-9,CC(C)(C)NCC(O)COc1cccc2CC(O)C(O)Cc12,non-mutagenic
133762-84-2,COC1=NC(=O)N(CC(O)CN=N#N)C=C1C,mutagenic
598-57-2,CN[N+](=O)[O-],non-mutagenic
2520-60-7,CC(=CCC1CCCC1=O)C,non-mutagenic
225366-91-6,Fc1ccc2ncccc2c1F,mutagenic
6201-87-2,Nc1cc(C(=O)O)c(O)c(c1)S(=O)(=O)O,non-mutagenic
80-05-7,CC(C)(c1ccc(O)cc1)c2ccc(O)cc2,non-mutagenic
71711-58-5,Cc1c(C)c2c(N)c3ccccc3nc2c4ccccc14,mutagenic
53527-28-9,CC(=O)OC1CC2C3(C)CCCC(C)(C)C3CCC2(C)C4CC=C(C=O)C(C=O)C14C,non-mutagenic
4332-51-8,ClCCSCc1ccccc1,mutagenic
68395-77-7,Cc1cc(C)cc(NO)c1,mutagenic
155014-05-4,Nc1cccc2ncc(F)cc12,mutagenic
125486-24-0,CCN(CCCl)c1ccc(CCCNc2c3ccccc3nc4ccccc24)cc1,mutagenic
110-91-8,C1COCCN1,non-mutagenic
6756-41-8,Cc1ccc(cc1)N=Nc2c(O)ccc3ccccc23,non-mutagenic
113202-71-4,O=Nc1cc2c3ccccc3ccc2c4ccccc14,mutagenic
551-06-4,S=C=Nc1cccc2ccccc12,mutagenic
109032-48-6,CNC(=O)Oc1cc2ccccc2c3ccccc13,mutagenic
517-28-2,Oc1cc2C[C@@]3(O)COc4c(O)c(O)ccc4[C@@H]3c2cc1O,non-mutagenic
215-58-7,c1ccc2cc3c4ccccc4c5ccccc5c3cc2c1,mutagenic
155164-62-8,ClC1=C(Cl)C(=O)N(N=C1)S(=O)(=O)c2ccc(Cl)cc2Cl,non-mutagenic
6673-35-4,CC(C)NCC(O)COc1ccc(NC(=O)C)cc1,non-mutagenic
1985-51-9,CC(=C)C(=O)OCC(C)(C)COC(=O)C(=C)C,non-mutagenic
125761-28-6,CC(=O)OC1C(O)C(OC(=O)\C=C\c2ccc(O)cc2)C(CO)OC1OC34CC(C)(C)C(=O)C3C(C)(O)C5(CC5)C(=C4)C,mutagenic
90-65-3,CO\C(=C/C(=O)O)\C(=O)C(=C)C,mutagenic
110336-19-1,O=C1CCc2ccc3ccc4ccccc4c3c12,non-mutagenic
142-96-1,CCCCOCCCC,non-mutagenic
63885-23-4,CCNC(=N)N(N=O)[N+](=O)[O-],mutagenic
161697-02-5,CNc1ccc2ncc(nc2c1C)c3ccccc3,mutagenic
78-51-3,CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC,non-mutagenic
58-08-2,CN1C(=O)N(C)c2ncn(C)c2C1=O,non-mutagenic
3175-89-1,CN1CCc2cc3OCOc3c4c5ccccc5C(O)C1c24,mutagenic
115-11-7,CC(=C)C,non-mutagenic
129833-00-7,CC1=CC(=O)Oc2c3OC4(C)OOC4(C)c3ccc12,mutagenic
104-88-1,Clc1ccc(C=O)cc1,non-mutagenic
35300-54-0,CCCC(=O)OCc1ccc(cc1)[N+](=O)[O-],mutagenic
142713-66-4,CC(Br)C(=O)NC(C)(C)C,non-mutagenic
80-78-4,CC1CCC2C(C)C3C(CC4C5CC=C6CC(O)CCC6(C)C5CCC34C)N2C1,non-mutagenic
188970-84-5,Oc1cccc2c1ccc3[nH]c4cc(c5ccccc5c4c23)[N+](=O)[O-],mutagenic
74339-98-3,OC1C=Cc2c(cc3c4ccccc4cc5c6ccccc6c2c35)C1O,mutagenic
56892-30-9,Oc1cc2ccc3cc4ccccc4c5ccc(c1)c2c35,mutagenic
99520-67-9,Oc1c2c3ccccc3c4ccc5ccc6cccc1c6c5c24,non-mutagenic
110963-29-6,NNC(=O)c1[nH]c2ccccc2c1N,mutagenic
138154-39-9,CCN(CC)CCNc1ccc2ncn3c4ccc(O)cc4C(=O)c1c23,mutagenic
17928-28-8,C[Si](C)(C)O[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C,non-mutagenic
56548-64-2,CCN(CC)c1cc(NC(=O)C)c(cc1OC)N=Nc2c(Br)cc(cc2[N+](=O)[O-])[N+](=O)[O-],mutagenic
2270-40-8,CC(=O)OCC12CCC(=CC1OC3C(O)C(OC(=O)C)C2(C)C34CO4)C,non-mutagenic
33237-74-0,CCN(CC)CCCN(C1Cc2ccccc2C1)c3ccccc3,non-mutagenic
56-72-4,CCOP(=S)(OCC)Oc1ccc2C(=C(Cl)C(=O)Oc2c1)C,non-mutagenic
95-94-3,Clc1cc(Cl)c(Cl)cc1Cl,non-mutagenic
4539-51-9,Nc1ccc2c(c1)[nH]c3ccccc23,mutagenic
7177-48-2,CC1(C)S[C@@H]2[C@@H](NC(=O)[C@@H](N)c3ccccc3)C(=O)N2[C@H]1C(=O)O,non-mutagenic
141511-31-1,[O-][N+](=O)c1ccc2c(ccc3cc4c(ccc5ccccc45)cc23)c1,mutagenic
7437-61-8,CC(=C)C1CO1,non-mutagenic
74011-58-8,CCN1C=C(C(=O)O)C(=O)c2cc(F)c(nc12)N3CCNCC3,mutagenic
479-79-8,O=C1c2ccccc2c3ccc4ccccc4c13,non-mutagenic
470-82-6,C[C@@]12CC[C@@H](CC1)C(C)(C)O2,non-mutagenic
97-77-8,CCN(CC)C(=S)SSC(=S)N(CC)CC,non-mutagenic
1622-62-4,CN1C(=O)CN=C(c2ccccc2F)c3cc(ccc13)[N+](=O)[O-],mutagenic
162050-09-1,[O-][N+](=O)c1oc(C(=O)CBr)c(Cl)c1Cl,mutagenic
641-38-3,Cc1cc(O)cc2OC(=O)c3c(O)cc(O)cc3c12,non-mutagenic
938-55-6,CN(C)c1[nH]cnc2ncnc12,mutagenic
422-56-0,FC(F)(F)C(F)(F)C(Cl)Cl,non-mutagenic
1156-19-0,Cc1ccc(cc1)S(=O)(=O)NC(=O)NN2CCCCCC2,non-mutagenic
16582-03-9,Nc1cccc2nc3c(N)cccc3nc12,mutagenic
42471-28-3,Cc1ncc(CNC(=O)N(CCCl)N=O)c(N)n1,mutagenic
22755-15-3,CC(=O)Nc1ccc2ccc3cccc4ccc1c2c34,mutagenic
NOCAS_M330,C1C=C[C@@H]2[C@@H]3C[C@@H](C=C3)[C@H]12,non-mutagenic
112-49-2,COCCOCCOCCOC,mutagenic
54522-52-0,COC1(CCC(C)COC2OC(CO)C(O)C(O)C2O)OC3CC4C5CC=C6CC(CCC6(C)C5CCC4(C)C3C1C)OC7OC(CO)C(OC8OC(C)C(O)C(O)C8O)C(O)C7OC9OC(C)C(O)C(O)C9O,non-mutagenic
88169-60-2,COC(=O)C(N)CSCCCl,mutagenic
103-33-3,c1ccc(cc1)N=Nc2ccccc2,mutagenic
95-51-2,Nc1ccccc1Cl,non-mutagenic
115-96-8,ClCCOP(=O)(OCCCl)OCCCl,non-mutagenic
77-06-5,C[C@]12[C@@H](O)C=C[C@@]3(OC1=O)[C@H]4CC[C@]5(O)C[C@]4(CC5=C)[C@H]([C@H]23)C(=O)O,non-mutagenic
4914-30-1,CCC1=C(CC2NCCc3cc(OC)c(OC)cc23)CC4N(CCc5cc(OC)c(OC)cc45)C1,non-mutagenic
51230-49-0,Clc1ccc2oc3ccccc3c2c1,mutagenic
94-75-7,OC(=O)COc1ccc(Cl)cc1Cl,non-mutagenic
389-08-2,CCN1C=C(C(=O)O)C(=O)c2ccc(C)nc12,non-mutagenic
2493-84-7,CCCCCCCCOc1ccc(cc1)C(=O)O,non-mutagenic
75-09-2,ClCCl,mutagenic
159714-84-8,Cc1cccc2C3NC3c4cc5ccccc5cc4c12,mutagenic
97672-08-7,O=Nn1cc(CC#N)c2ccccc12,mutagenic
108-10-1,CC(C)CC(=O)C,non-mutagenic
122-88-3,OC(=O)COc1ccc(Cl)cc1,non-mutagenic
1728-96-7,COc1ccc(cc1)c2nc(c3ccc(OC)cc3)c([nH]2)c4ccc(OC)cc4,mutagenic
100-20-9,ClC(=O)c1ccc(cc1)C(=O)Cl,mutagenic
7493-72-3,CCCCCCCCC(=O)OCC=C,non-mutagenic
106532-73-4,[O-][N+](=O)c1ccc2N(S\C(=N/C(=O)c3cccc(Cl)c3)\c2c1)C(=O)c4cccc(Cl)c4,mutagenic
548-93-6,Nc1c(O)cccc1C(=O)O,non-mutagenic
149922-82-7,ClC1c2cccc3ccc4c5ccccc5cc1c4c23,mutagenic
104145-44-0,COC(=O)c1cc2c3ccccc3[nH]c2c(n1)c4ccc5C(=O)C=CC(=O)c5n4,mutagenic
85-02-9,c1ccc2c(c1)ccc3ncccc23,mutagenic
38915-28-5,CCN(CCCl)CCCNc1c2ccc(Cl)cc2nc3ccc(OC)nc13,mutagenic
NOCAS_M582,C[C@@H](O)C[N+](C)(C)NC(=O)C(=C)C,non-mutagenic
13674-87-8,ClCC(CCl)OP(=O)(OC(CCl)CCl)OC(CCl)CCl,mutagenic
85-81-4,COc1cc(c2ncccc2c1)[N+](=O)[O-],mutagenic
129251-09-8,CCC(CCOCN1C=CN(C)C1\C=N\O)[N+](=O)[O-],non-mutagenic
958-93-0,CN(C)CCN(Cc1ccsc1)c2ccccn2,non-mutagenic
617-35-6,CCOC(=O)C(=O)C,non-mutagenic
106-39-8,Clc1ccc(Br)cc1,non-mutagenic
78-93-3,CCC(=O)C,non-mutagenic
63710-10-1,CCC1(O)CC(OC2CC(C(OC3CC(O)C(OC4CC(O)C(O)C(C)O4)C(C)O3)C(C)O2)N(C)C)c5c(O)c6C(=O)c7c(O)ccc(O)c7C(=O)c6cc5C1C(=O)OC,mutagenic
119-84-6,O=C1CCc2ccccc2O1,non-mutagenic
764-42-1,N#C\C=C/C#N,non-mutagenic
32157-71-4,Brc1ccc(cc1)C(=O)C2OC2c3ccccc3,non-mutagenic
NOCAS_M265,OC[C@H](O)CI,mutagenic
NOCAS_M342,CCCCC[C@@H](CC)OC(=O)c1cccc(c1)C(=O)O[C@H](CC)CCCCC,non-mutagenic
NOCAS_M304,COC(=O)[C@@]1(O[C@@]1(C)[C@H](O)C(C)C)C(=O)N,mutagenic
158729-21-6,Cc1cccc(NS(=O)(=O)c2cccc3cccnc23)c1,non-mutagenic
262-12-4,O1c2ccccc2Oc3ccccc13,non-mutagenic
99-35-4,[O-][N+](=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-],mutagenic
832-69-9,Cc1cccc2c1ccc3ccccc23,mutagenic
3761-53-3,Cc1ccc(N=Nc2c(O)c(cc3cc(ccc23)S(=O)(=O)O)S(=O)(=O)O)c(C)c1,mutagenic
38716-10-8,OCC1OC(CC1O)N2C=C(COO)C(=O)NC2=O,mutagenic
160543-00-0,Cc1ccc2nc3c(ccc4ccccc34)c(CO)c2c1,mutagenic
118-92-3,Nc1ccccc1C(=O)O,non-mutagenic
63521-85-7,COc1cccc2C(=O)c3c(O)c4CC(O)(CC(OC5CC(N)CC(C)O5)c4c(O)c3C(=O)c12)C(=O)CO,mutagenic
603-87-2,Nc1cccc(c1O)[N+](=O)[O-],non-mutagenic
3153-55-7,COc1c(O)cc2CCN(C)C3Cc4ccccc4c1c23,mutagenic
1686-14-2,CC1(C)C2CC3OC3(C)C1C2,non-mutagenic
188107-70-2,Cn1c2ccccc2c3ccc(cc13)[N+](=O)[O-],mutagenic
22433-76-7,CC(=O)Nc1ccc2ncccc2c1,mutagenic
117-12-4,Oc1cccc2C(=O)c3c(O)cccc3C(=O)c12,mutagenic
2154-68-9,CC1(C)CC(C(=O)O)C(C)(C)N1O,non-mutagenic
150147-09-4,OCCN(CCO)c1ccc(cc1)N=Nc2ccc(nc2)N(CCO)CCO,non-mutagenic
621-77-2,CCCCCN(CCCCC)CCCCC,non-mutagenic
135105-90-7,COc1cc(OC)c2C3C(OC4OC34)Oc2c1,mutagenic
23590-59-2,Clc1nncc2cccnc12,mutagenic
27554-26-3,CC(C)CCCCCOC(=O)c1ccccc1C(=O)OCCCCCC(C)C,non-mutagenic
108-38-3,Cc1cccc(C)c1,non-mutagenic
525-66-6,CC(C)NC[C@@H](O)COc1cccc2ccccc12,non-mutagenic
160543-10-2,OCc1ccc2c(CO)c3ccc4ccccc4c3nc2c1,non-mutagenic
89-63-4,Nc1ccc(Cl)cc1[N+](=O)[O-],mutagenic
97461-42-2,CCCCCNC(=O)\C=C\c1oc(cc1)[N+](=O)[O-],mutagenic
623-24-5,BrCc1ccc(CBr)cc1,non-mutagenic
53552-01-5,Clc1ccc(Oc2ccc(NC=O)cc2)c(Cl)c1,mutagenic
50-02-2,C[C@@H]1CC2C3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO,non-mutagenic
2062-78-4,Oc1nc2ccccc2n1C3CCN(CCCC(c4ccc(F)cc4)c5ccc(F)cc5)CC3,non-mutagenic
162022-93-7,Clc1nncc2ccncc12,non-mutagenic
108-98-5,Sc1ccccc1,non-mutagenic
626-60-8,Clc1cccnc1,non-mutagenic
103-17-3,Clc1ccc(CSc2ccc(Cl)cc2)cc1,non-mutagenic
57-71-6,CC(=O)\C(=N/O)\C,non-mutagenic
74-95-3,BrCBr,mutagenic
104-78-9,CCN(CC)CCCN,non-mutagenic
128350-04-9,CC(\C=C(/C#N)\c1ccc(F)cc1)C(C(C#N)c2ccc(F)cc2)c3ccccc3,non-mutagenic
2438-88-2,COc1c(Cl)c(Cl)c(c(Cl)c1Cl)[N+](=O)[O-],non-mutagenic
114656-96-1,Cc1[nH]c2C(=O)C=C(N3CC3)C(=O)c2c4nc5ccccc5c14,mutagenic
97166-13-7,CC(Cl)C(Br)CBr,mutagenic
82-71-3,Oc1c(cc(c(O)c1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],non-mutagenic
645-05-6,CN(C)c1nc(nc(n1)N(C)C)N(C)C,non-mutagenic
110-82-7,C1CCCCC1,non-mutagenic
92134-94-6,OCC(O)C(O)C(O)C1SCCN1N=O,non-mutagenic
NOCAS_M327,CN(C)CCO[C@@](C)(c1ccccc1)c2ccccn2,non-mutagenic
67976-98-1,O1C2C1c3nc4ccc5ccccc5c4cc3c6ccccc26,mutagenic
7203-89-6,CN(C)N=Nc1ccc(C)cc1,mutagenic
NOCAS_M384,CC(=CCC[C@](C)(OC(=O)c1ccccc1N)C=C)C,non-mutagenic
1767-28-8,Oc1ccc2ccc3c(ccc4ccc1c2c34)[N+](=O)[O-],mutagenic
98736-49-3,CN(Cc1cccc(c1)C#N)N=O,mutagenic
288-47-1,c1cscn1,mutagenic
95741-57-4,Cc1cc2c3cc4ccccc4cc3c5cccc(c1)c25,mutagenic
7379-35-3,Clc1ccncc1,non-mutagenic
NOCAS_M369,C[C@@H](O)COC[C@@H](C)O,non-mutagenic
99240-67-2,CC(=O)Nc1ccc2c(Cc3ccccc23)c1OC(=O)c4ccccc4,non-mutagenic
894-52-0,Cc1c(C)c2c(ccc3ccccc23)c4CCC(=O)c14,mutagenic
NOCAS_M457,C[C@@H](N)CN,non-mutagenic
58-54-8,CCC(=C)C(=O)c1ccc(OCC(=O)O)c(Cl)c1Cl,non-mutagenic
87425-69-2,OC1C=Cc2cc3c(ccc4ccccc34)c(Br)c2C1O,non-mutagenic
54-31-9,NS(=O)(=O)c1cc(C(=O)O)c(NCc2occc2)cc1Cl,non-mutagenic
115165-01-0,Oc1cccc2c3ccccc3c4cc5ccccc5cc4c12,non-mutagenic
69227-45-8,CC(O)C(NC(=O)C(C)C(O)C(C)NC(=O)C(NC(=O)c1nc(nc(N)c1C)C(CNCC(N)C(=O)N)C(=O)N)C(OC2OC(CO)C(O)C(O)C2OC3OC(CO)C(O)C(OC(=O)N)C3O)c4c[nH]cn4)C(=O)NCCc5nc(cs5)c6nc(cs6)C(=O)NCCCN(C)CCCNC(=N)CC7CCC(Cl)CC7,mutagenic
2353-45-9,CCN(Cc1cccc(c1)S(=O)(=O)O)c2ccc(cc2)C(=C3C=CC(=[N+](CC)Cc4cccc(c4)S(=O)(=O)O)C=C3)c5ccc(O)cc5S(=O)(=O)O,non-mutagenic
394-69-4,Fc1cccc2ncccc12,mutagenic
95-79-4,Cc1ccc(Cl)cc1N,non-mutagenic
33089-36-0,C1COCCOCCOCCOCCOCCOCCO1,non-mutagenic
38363-41-6,CC(C)(C)NCC(O)COc1ccccc1C2CCCC2,mutagenic
420-12-2,C1CS1,mutagenic
497-23-4,O=C1OCC=C1,non-mutagenic
111858-66-3,OC1COC(C(O)C1O)N(CCc2c[nH]c3ccccc23)N=O,mutagenic
100850-37-1,CN(CC(=O)NN)c1ccc2ccccc2c1,non-mutagenic
148193-32-2,COc1nsc2cc(ccc12)[N+](=O)[O-],mutagenic
115767-74-3,CC\C(=C(\c1ccc(OCCN(C)C)cc1)/c2ccc(OP(=O)(O)O)cc2)\c3ccc(cc3)C(C)C,non-mutagenic
15961-88-3,[O-][N+](=Nc1ccc2c(Cc3ccccc23)c1)c4ccc5c(Cc6ccccc56)c4,non-mutagenic
600-14-6,CCC(=O)C(=O)C,non-mutagenic
110-59-8,CCCCC#N,non-mutagenic
67274-48-0,CC(=O)N(O)c1ccc(Br)cc1,non-mutagenic
3096-63-7,Cc1cccc(C)c1NO,mutagenic
4418-26-2,CC(=O)C1=C(O)C=C(C)OC1=O,non-mutagenic
NOCAS_M140,O1[C@@H]2[C@H]1c3ccccc3c4c2ccc5ccccc45,mutagenic
NOCAS_M458,CC(C)C[C@@H](C)Nc1ccc(Nc2ccccc2)cc1,non-mutagenic
24961-39-5,BrCc1c2ccccc2cc3c1ccc4ccccc34,mutagenic
482-66-6,C1Cc2ccc3c(ccc4ccccc34)c2C1,non-mutagenic
2815-45-4,CC(C)(C)C1CCC2(CC1)CO2,non-mutagenic
105752-67-8,Cc1cccc2cc(ccc12)[N+](=O)[O-],mutagenic
13060-14-5,COc1cc(cc(OC)c1OC)C2OCC3C2COC3c4cc(OC)c(OC)c(OC)c4,non-mutagenic
40321-99-1,CCC(CCC(C)O)COC(=O)c1ccccc1C(=O)O,non-mutagenic
96563-06-3,CC1c2ccccc2c3cc(C)c(C)cc13,mutagenic
781-43-1,Cc1c2ccccc2c(C)c3ccccc13,mutagenic
54-16-0,OC(=O)Cc1c[nH]c2ccc(O)cc12,non-mutagenic
6317-18-6,N#CSCSC#N,non-mutagenic
62450-06-0,Cc1nc(N)c(C)c2[nH]c3ccccc3c12,mutagenic
36848-41-6,[O-][N+](=O)c1cccc2nc3c(cccc3nc12)[N+](=O)[O-],non-mutagenic
NOCAS_M59,Nc1ncnc2c1ncn2C[C@H](O)CN=[N+]=[N-],mutagenic
7570-37-8,COc1ccc(\C=C\c2ccc(N)cc2)cc1,mutagenic
60262-85-3,OC1C(Oc2c3ccccc3c4ccc5cccc6ccc2c4c56)OC(C(O)C1O)C(=O)O,non-mutagenic
188970-88-9,Oc1ccc2ccc3[nH]c4cc(c5ccccc5c4c3c2c1)[N+](=O)[O-],mutagenic
120-52-5,O=C(ON=C1C=CC(=NOC(=O)c2ccccc2)C=C1)c3ccccc3,mutagenic
475-75-2,O=C1c2ccccc2c3c4OCOc4cc5ccnc1c35,mutagenic
106-96-7,BrCC#C,mutagenic
108-89-4,Cc1ccncc1,non-mutagenic
590-88-5,CC(N)CCN,non-mutagenic
99-66-1,CCCC(CCC)C(=O)O,non-mutagenic
99217-04-6,CC(=O)Oc1cc(c2ccc3cccc4ccc1c2c34)[N+](=O)[O-],mutagenic
8022-00-2,CCSCCOP(=S)(OC)OC,non-mutagenic
24698-43-9,CC(C)COS(=O)(=O)c1ccccc1,mutagenic
173216-44-9,N#N=NCCC(c1ccccc1)c2ccccc2,mutagenic
581-89-5,[O-][N+](=O)c1ccc2ccccc2c1,mutagenic
115550-35-1,CN1CCN(CC1)c2c(F)cc3C(=O)C(=CN4N(C)COc2c34)C(=O)O,mutagenic
105-55-5,CCNC(=S)NCC,non-mutagenic
NOCAS_M382,CCCC[C@@H](CC)CO,non-mutagenic
23788-22-9,Oc1ccc(OP2(NP(NP(N2)(Oc3ccc(O)cc3)Oc4ccc(O)cc4)(Oc5ccc(O)cc5)Oc6ccc(O)cc6)Oc7ccc(O)cc7)cc1,non-mutagenic
104789-46-0,ClCCNC(=O)Sc1[nH]cnc2ncnc12,mutagenic
1120-36-1,CCCCCCCCCCCCC=C,non-mutagenic
51325-91-8,CN(C)c1ccc(\C=C\C2=CC(=C(C#N)C#N)C=C(C)O2)cc1,mutagenic
135086-99-6,Nc1c([nH]c2ccccc12)C(=O)N\N=C\c3ccccc3,non-mutagenic
61845-52-1,CCOC1=CC(N(O)c2ccccc12)(c3ccccc3)c4ccccc4,non-mutagenic
24400-01-9,CN(C)CCCNc1c2ccccc2nc3c(C)ccc(c13)[N+](=O)[O-],mutagenic
31438-22-9,[O-][N+](=O)c1cccc2c3ccccc3[nH]c12,mutagenic
124617-83-0,CCON(OC(=O)C)C(=O)c1ccccc1,mutagenic
578-06-3,Nc1cccc2nc3ccccc3cc12,mutagenic
71432-00-3,O=C1Oc2cccc3ccc4c5ccccc5cc1c4c23,mutagenic
87-10-5,Oc1c(Br)cc(Br)cc1C(=O)Nc2ccc(Br)cc2,non-mutagenic
100-52-7,O=Cc1ccccc1,non-mutagenic
2437-56-1,CCCCCCCCCCCC=C,non-mutagenic
102-60-3,CC(O)CN(CCN(CC(C)O)CC(C)O)CC(C)O,non-mutagenic
68302-57-8,CC(C)c1ccc2Oc3nc(N)c(cc3C(=O)c2c1)C(=O)O,non-mutagenic
140-11-4,CC(=O)OCc1ccccc1,non-mutagenic
120404-26-4,OCCNc1ccc(cc1)N=Nc2ccc(NCCO)cc2,mutagenic
3009-50-5,COc1ccc(cc1)N=Nc2ccc(cc2)N(C)C,mutagenic
131-11-3,COC(=O)c1ccccc1C(=O)OC,non-mutagenic
626-15-3,BrCc1cccc(CBr)c1,non-mutagenic
1666-13-3,[Se]([Se]c1ccccc1)c2ccccc2,mutagenic
87-65-0,Oc1c(Cl)cccc1Cl,non-mutagenic
2319-96-2,Cc1cc2cc3ccccc3cc2c4ccccc14,mutagenic
92569-05-6,[O-][N+](=O)c1cnc(s1)N2CCN(C(=O)C(Cl)Cl)C2=O,mutagenic
73018-98-1,OCC(O)CN=N#N,mutagenic
19406-51-0,Cc1c(cc(N)cc1[N+](=O)[O-])[N+](=O)[O-],mutagenic
20496-16-6,CCc1ccc2c3ccccc3c4cccc1c24,non-mutagenic
144730-01-8,FC(F)(F)c1cc2C(=O)CCc2c3ccc4ccccc4c13,mutagenic
NOCAS_M543,O=C1NC(=O)[C@H]2CC=CC[C@@H]12,non-mutagenic
54-11-5,CN1CCC[C@@H]1c2cccnc2,non-mutagenic
529-49-7,Oc1ccc2Oc3cc(O)cc(O)c3C(=O)c2c1,mutagenic
1918-13-4,NC(=S)c1c(Cl)cccc1Cl,mutagenic
67019-30-1,CN(C(=O)C)c1snc2ccccc12,non-mutagenic
60877-86-3,C(=N\c1snc2ccccc12)/c3ccccc3,non-mutagenic
148193-29-7,C(Oc1cccc2cnsc12)C3CO3,mutagenic
140-95-4,OCNC(=O)NCO,mutagenic
111955-19-2,Cc1ccc(cc1)N(N=O)C2OCC(O)C(O)C2O,mutagenic
479-45-8,CN(c1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],mutagenic
109-89-7,CCNCC,non-mutagenic
NOCAS_M62,O=C[C@H]1CO1,mutagenic
51837-64-0,COc1cc(NC(=O)C)ccc1NC(=O)C,non-mutagenic
NOCAS_M194,CC(C)(c1ccc(OC[C@H]2CO2)cc1)c3ccc(OC[C@H]4CO4)cc3,mutagenic
107673-64-3,[O-][N+](=O)c1ccc2c(c1)c3cc4ccccc4c5cccc2c35,mutagenic
NOCAS_M321,CN(C)[C@@H]1[C@@H]2[C@H](O)[C@H]3C(=C(O)[C@@]2(O)C(=C(C(=O)N)C1=O)O)C(=O)c4c(O)cccc4[C@]3(C)O,non-mutagenic
6341-85-1,CC1(CO1)C2CO2,mutagenic
104-82-5,Cc1ccc(CCl)cc1,non-mutagenic
90625-53-9,COC1=CC(=O)C=C/C/1=N\c2c3ccccc3nc4ccccc24,non-mutagenic
60102-37-6,CC1CC2(OC2C)C(=O)OC3CCN(C)CC=C(COC(=O)C1(C)O)C3=O,mutagenic
80-43-3,CC(C)(OOC(C)(C)c1ccccc1)c2ccccc2,non-mutagenic
NOCAS_M20,OC[C@H](Br)CBr,mutagenic
16292-86-7,Nc1ccc(c(O)c1)[N+](=O)[O-],mutagenic
103395-25-1,ClCc1ccc2cccc3c4ccccc4c1c23,mutagenic
3626-28-6,Nc1c(N=Nc2ccc(cc2)c3ccc(cc3)N=Nc4ccc(O)cc4)c(cc5cc(c(N=Nc6ccccc6)c(O)c15)S(=O)(=O)O)S(=O)(=O)O,mutagenic
2876-23-5,Nc1ccc2nc3ccccc3nc2c1,mutagenic
119-53-9,O[C@H](C(=O)c1ccccc1)c2ccccc2,non-mutagenic
818-61-1,OCCOC(=O)C=C,non-mutagenic
110-13-4,CC(=O)CCC(=O)C,non-mutagenic
91137-27-8,Cc1cccc2c(cccc12)[N+](=O)[O-],mutagenic
16830-15-2,C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(=O)O[C@@H]6O[C@H](CO[C@@H]7O[C@H](CO)[C@@H](O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O)[C@H]8O)[C@H](O)[C@H]7O)[C@@H](O)[C@H](O)[C@H]6O,non-mutagenic
5336-53-8,O=NN(Cc1ccccc1)Cc2ccccc2,non-mutagenic
39156-41-7,COc1ccc(NOS(=O)(=O)O)cc1N,mutagenic
102-77-2,C1CN(CCO1)Sc2nc3ccccc3s2,non-mutagenic
NOCAS_M388,CC[C@@]1(CC(=O)O)OCCc2c1n(C)c3ccccc23,non-mutagenic
52-67-5,CC(C)(S)C(N)C(=O)O,mutagenic
NOCAS_M413,CC(C)NC[C@@H](O)COc1cccc2C[C@@H](COc12)O[N+](=O)[O-],non-mutagenic
108-94-1,O=C1CCCCC1,non-mutagenic
154-93-8,ClCCNC(=O)N(CCCl)N=O,mutagenic
153260-27-6,C1Cc2scnc2c3cccnc13,non-mutagenic
56719-41-6,COC(=O)\C(=C(/OP(=O)(OC)OC)\c1ccc(Cl)cc1Cl)\Br,non-mutagenic
3671-78-1,O=C(Nc1ccc2c(Cc3ccccc23)c1)c4ccccc4,mutagenic
38661-82-4,CC(Cl)c1ccccc1,non-mutagenic
112022-13-6,CN(C)CCNC(=O)c1cccc2Oc3ccccc3Nc12,mutagenic
91-21-4,C1Cc2ccccc2CN1,non-mutagenic
720-39-8,CCCCc1cc(C)cc(CCCC)c1O,non-mutagenic
20480-67-5,C1CCC2C(C1)CCc3ccccc23,non-mutagenic
28540-82-1,CC(C)CC1NC(=O)C(C)N(C)C(=O)CNC(=O)\C(=C/c2ccccc2)\N(C)C1=O,non-mutagenic
109621-20-7,COC(=O)C(CSCC(C)Br)NC(=O)C,mutagenic
54292-61-4,Cc1cc(ccc1N=Nc2cccnc2)N(CCO)CCO,non-mutagenic
89459-43-8,CN(C)CCNC(=O)c1cccc2c(N)c3ccccc3nc12,mutagenic
43192-03-6,Cc1ccc(NO)cc1[N+](=O)[O-],non-mutagenic
7786-61-0,COc1cc(C=C)ccc1O,non-mutagenic
NOCAS_M385,CCc1cccc2cc(oc12)[C@H](O)CNC(C)(C)C,non-mutagenic
122021-01-6,CCCCC(CC)COC(=O)c1ccc(cc1)N(C)N=O,non-mutagenic
813-78-5,COP(=O)(O)OC,non-mutagenic
577-59-3,CC(=O)c1ccccc1[N+](=O)[O-],non-mutagenic
92-36-4,Cc1ccc2nc(sc2c1)c3ccc(N)cc3,mutagenic
13506-76-8,Cc1cccc(c1C(O)O)[N+](=O)[O-],mutagenic
439-14-5,CN1C(=O)CN=C(c2ccccc2)c3cc(Cl)ccc13,non-mutagenic
7364-25-2,Oc1[nH]nc2ccccc12,non-mutagenic
109-01-3,CN1CCNCC1,non-mutagenic
4424-06-0,O=C1c2ccc3c4nc5ccccc5n4C(=O)c6ccc(c7nc8ccccc8n17)c2c36,mutagenic
218-02-0,c1ccc2c(c1)ccc3c4ccncc4ccc23,mutagenic
131-73-7,[O-][N+](=O)c1cc(c(Nc2c(cc(cc2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])c(c1)[N+](=O)[O-])[N+](=O)[O-],mutagenic
1321-94-4,Cc1ccc2ccccc2c1,non-mutagenic
5329-87-3,[O-][N+](=O)c1ccc2c(CCc3ccccc23)c1,mutagenic
63224-44-2,CCCCCCCCCCCCCC(=O)ON(C(=O)C)c1ccc2c(Cc3ccccc23)c1,mutagenic
85-68-7,CCCCOC(=O)c1ccccc1C(=O)OCc2ccccc2,non-mutagenic
98114-62-6,OCN=N,mutagenic
75-50-3,CN(C)C,non-mutagenic
108-91-8,NC1CCCCC1,non-mutagenic
72-56-0,CCc1ccc(cc1)C(C(Cl)Cl)c2ccc(CC)cc2,mutagenic
128505-52-2,CCN(CC)C(=S)SSCC(NC(=O)C)C(=O)O,non-mutagenic
738-70-5,COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC,non-mutagenic
131-92-0,O=C(Nc1cccc2C(=O)c3c(ccc4c5cc(NC(=O)c6ccccc6)c7C(=O)c8ccccc8C(=O)c7c5[nH]c34)C(=O)c12)c9ccccc9,non-mutagenic
1888-89-7,C(CC1CO1)C2CO2,mutagenic
61734-86-9,CCCCCN(CCCCO)N=O,mutagenic
104-04-1,CC(=O)Nc1ccc(cc1)[N+](=O)[O-],non-mutagenic
17135-78-3,Clc1ccc2cc3ccccc3cc2c1,mutagenic
34430-26-7,CCCC[CH-][N+](=O)[O-],non-mutagenic
68006-83-7,Cc1cc2c3ccccc3[nH]c2nc1N,mutagenic
63-56-9,COc1ccc(CN(CCN(C)C)c2ncccn2)cc1,non-mutagenic
5875-25-2,CC(Br)C(=O)N,mutagenic
1732-23-6,Nc1cc2ccc3cccc4ccc(c1)c2c34,mutagenic
50-01-1,NC(=N)N,non-mutagenic
88598-59-8,OC1C=Cc2c(cc3ccc4ccc(c5ccc2c3c45)[N+](=O)[O-])C1O,mutagenic
144-48-9,NC(=O)CI,non-mutagenic
6629-29-4,Cc1c(N)cc(N)cc1[N+](=O)[O-],mutagenic
89811-25-6,CC(C)CNC(=O)\C=C\c1oc(cc1)[N+](=O)[O-],mutagenic
98931-06-7,CCCn1cc2CC3C(CC(C)CN3C#N)c4cccc1c24,mutagenic
620-26-8,Cc1cccc(c1)N=O,non-mutagenic
31431-39-7,COC(=O)Nc1nc2cc(ccc2[nH]1)C(=O)c3ccccc3,mutagenic
96910-70-2,CC1(C)C[C@H]2C=C(CO)[C@]3(C[C@@]3(C)[C@@H]2C1)C=O,mutagenic
54607-64-6,OC(=O)c1occ(c2ccccc2)c1c3ccccc3,non-mutagenic
67019-28-7,O=C(Nc1snc2ccccc12)c3ccccc3,mutagenic
620-88-2,[O-][N+](=O)c1ccc(Oc2ccccc2)cc1,mutagenic
93-72-1,CC(Oc1cc(Cl)c(Cl)cc1Cl)C(=O)O,non-mutagenic
41840-28-2,Cc1cc(C)nc(SC(=O)OC(C)(C)C)n1,non-mutagenic
163275-64-7,Fc1ccc(F)c2c1ccc3cccnc23,mutagenic
105-36-2,CCOC(=O)CBr,mutagenic
106-44-5,Cc1ccc(O)cc1,non-mutagenic
606-35-9,COc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],mutagenic
2498-77-3,Cc1cccc2ccc3cc4ccccc4cc3c12,mutagenic
136112-73-7,Nc1ncnc2c1ncn2c3ccc(cc3[N+](=O)[O-])[N+](=O)[O-],mutagenic
66842-42-0,Cc1c2ccccc2c([C@@H]3CO3)c4ccccc14,mutagenic
99-98-9,CN(C)c1ccc(N)cc1,mutagenic
25125-72-8,N1[C@@H]([C@H]1c2ccccc2)c3ccccc3,mutagenic
25799-70-6,COc1ccc(c2c(NCCCN(C)C)c3ccccc3nc12)[N+](=O)[O-],mutagenic
96014-36-7,Nc1ccc2[nH]c3ccccc3c2c1[N+](=O)[O-],mutagenic
51938-14-8,CCCCN(CCO)N=O,mutagenic
107-22-2,O=CC=O,mutagenic
74877-25-1,O=C1C=Cc2c(ccc3cc4ccccc4cc23)C1=O,non-mutagenic
144-62-7,OC(=O)C(=O)O,non-mutagenic
NOCAS_M450,CC[C@@H](C)Nc1ccc(N[C@H](C)CC)cc1,non-mutagenic
892-17-1,Cc1cc2C(=O)CCc2c3ccc4ccccc4c13,mutagenic
111-30-8,O=CCCCC=O,mutagenic
64314-52-9,C[C@@H]1O[C@H](C[C@H](N)[C@H]1O)O[C@H]2C[C@@](O)(Cc3c(O)c4C(=O)c5ccccc5C(=O)c4c(O)c23)C(=O)CO,mutagenic
7681-76-7,Cn1c(COC(=O)N)ncc1[N+](=O)[O-],mutagenic
85431-61-4,CC1C(O)CCC2=CC(=O)C3(OC3C12C)C4(CO)CO4,mutagenic
55-86-7,CN(CCCl)CCCl,mutagenic
130-15-4,O=C1C=CC(=O)c2ccccc12,mutagenic
86-87-3,OC(=O)Cc1cccc2ccccc12,non-mutagenic
67392-87-4,CC12CCC(=O)C=C1C3CC3C4C2CCC5(C)C4C6CC6C57CCC(=O)O7,non-mutagenic
92116-67-1,CNc1ccc2ncc(C)nc2c1N,non-mutagenic
137-26-8,CN(C)C(=S)SSC(=S)N(C)C,mutagenic
100-51-6,OCc1ccccc1,non-mutagenic
184582-58-9,Oc1c2ccccc2nc3ccc4OCCOc4c13,mutagenic
81-13-0,CC(C)(CO)C(O)C(=O)NCCCO,non-mutagenic
630-17-1,CC(C)(C)CBr,non-mutagenic
56986-35-7,CCCCN(N=O)[C@@H](CCC)OC(=O)C,mutagenic
142078-76-0,OC1C(O)c2cccnc2C3OC13,non-mutagenic
68884-32-2,C(C1CO1)c2cccc3ccccc23,mutagenic
5417-50-5,CC(=O)Nc1cnc2ccccc2c1,non-mutagenic
155164-64-0,CCC(=O)N1N=CC(=C(Cl)C1=O)Cl,non-mutagenic
5784-45-2,Clc1nncc2ccccc12,non-mutagenic
89-62-3,Cc1ccc(N)c(c1)[N+](=O)[O-],mutagenic
93-05-0,CCN(CC)c1ccc(N)cc1,mutagenic
96-37-7,CC1CCCC1,non-mutagenic
28164-57-0,Cc1cc(O)c2C(=O)C=C(C(=O)c2c1)c3c(C)cc4C(=O)C=CC(=O)c4c3O,non-mutagenic
98151-91-8,O[C@H]1C=Cc2cc3ccc4c(ccc5ccc(c2[C@@H]1O)c3c45)[N+](=O)[O-],mutagenic
205-82-3,c1ccc2c3c(ccc2c1)c4cccc5cccc3c45,mutagenic
127072-59-7,CC\C=C\C=C\C=C\C=C\C=C\SCC(O)CO,non-mutagenic
5496-41-3,COc1ccc(cc1OC)c2nc(c3ccccc3)c([nH]2)c4ccccc4,mutagenic
92134-95-7,CC(O)C(O)C(O)C(O)C1SCCN1N=O,non-mutagenic
1929-73-3,CCCCOCCOC(=O)COc1ccc(Cl)cc1Cl,non-mutagenic
10453-89-1,CC(=CC1C(C(=O)O)C1(C)C)C,non-mutagenic
935-95-5,Oc1c(Cl)c(Cl)cc(Cl)c1Cl,non-mutagenic
30560-19-1,COP(=O)(NC(=O)C)SC,non-mutagenic
230-46-6,c1cnc2c(c1)ccc3ncccc23,mutagenic
1928-38-7,COC(=O)COc1ccc(Cl)cc1Cl,non-mutagenic
480-22-8,Oc1cccc2cc3cccc(O)c3c(O)c12,non-mutagenic
4394-00-7,OC(=O)c1cccnc1Nc2cccc(c2)C(F)(F)F,non-mutagenic
5632-47-3,O=NN1CCNCC1,mutagenic
135294-98-3,BrCc1ccc2c3ccccc3c4cccc1c24,mutagenic
75-34-3,CC(Cl)Cl,non-mutagenic
75888-03-8,[O-][N+](=O)c1oc(\C=N\N2CCCNC2=O)cc1,mutagenic
1504-74-1,COc1ccccc1\C=C/C=O,mutagenic
703-83-3,CCNc1snc2ccccc12,non-mutagenic
70092-13-6,Cc1c2ccccc2c(C)c3c4C=CC(=O)C(=O)c4ccc13,non-mutagenic
3930-20-9,CC(C)NCC(O)c1ccc(NS(=O)(=O)C)cc1,non-mutagenic
75996-85-9,CCOC(=O)Cc1c(C(=O)O)c2ccccc2n1C,non-mutagenic
61691-82-5,COc1ccc(cc1)[C@H](OC(=O)C)C=C,mutagenic
10088-95-6,C\C=C\C1=CC2=C(C(=O)O1)C(=O)C(O)C(C)O2,non-mutagenic
431-03-8,CC(=O)C(=O)C,mutagenic
92433-40-4,CC(=O)Nc1cc2Cc3ccccc3c2cc1Cl,mutagenic
110-16-7,OC(=O)\C=C/C(=O)O,non-mutagenic
33704-61-9,CC1C(C)(C)C2=C(C(=O)CCC2)C1(C)C,non-mutagenic
109-70-6,ClCCCBr,mutagenic
60-80-0,CN1N(C(=O)C=C1C)c2ccccc2,non-mutagenic
68688-84-6,CC1(O)C=Cc2cc3c(ccc4ccccc34)c5CCC1(O)c25,mutagenic
108-68-9,Cc1cc(C)cc(O)c1,non-mutagenic
91626-52-7,CS(=O)(=O)N1N=CC(=C(Cl)C1=O)Cl,mutagenic
95-33-0,C1CCC(CC1)NSc2nc3ccccc3s2,non-mutagenic
73198-02-4,OCC1NC(Cc2c1[nH]c3ccccc23)C(=O)O,non-mutagenic
60971-98-4,COC(=O)C1=C(C)C(C)(O)OC1=O,non-mutagenic
16239-84-2,Nc1nc(\C=C/c2oc(cc2)[N+](=O)[O-])cs1,mutagenic
89459-25-6,CN(C)CCNC(=O)c1cccc2cc3ccccc3nc12,mutagenic
108-70-3,Clc1cc(Cl)cc(Cl)c1,non-mutagenic
24934-91-6,CCOP(=S)(OCC)SCCl,non-mutagenic
580-18-7,Oc1cnc2ccccc2c1,non-mutagenic
71-41-0,CCCCCO,non-mutagenic
160543-14-6,Cc1c2ccc3C(O)C(O)C=Cc3c2nc4ccc(CO)cc14,mutagenic
1953-54-4,Oc1ccc2[nH]ccc2c1,non-mutagenic
15012-61-0,CCC1=C(OC)C(=O)c2c(O)c(OC)c(OC)c(O)c2C1=O,non-mutagenic
144-80-9,CC(=O)NS(=O)(=O)c1ccc(N)cc1,non-mutagenic
24085-03-8,CC(C)(C)N(CC(O)c1ccc(O)c(CO)c1)Cc2ccccc2,mutagenic
1769-41-1,O\N=C\C(=O)Nc1ccccc1,non-mutagenic
6653-71-0,CC(Br)C(=O)NCc1ccccc1,mutagenic
198-55-0,c1cc2cccc3c4cccc5cccc(c(c1)c23)c45,mutagenic
578-95-0,Oc1c2ccccc2nc3ccccc13,non-mutagenic
138805-33-1,CC(=O)Nc1ccc(C)c(c1)N=Nc2cc(NC(=O)C)ccc2C,non-mutagenic
24684-56-8,Cc1cc2C(=O)[C@@H](O)Cc2c3ccc4ccccc4c13,mutagenic
119-34-6,Nc1ccc(O)c(c1)[N+](=O)[O-],mutagenic
75-05-8,CC#N,non-mutagenic
2304-85-0,O=C1C=Cc2ccc3C=CC(=O)c4ccc1c2c34,mutagenic
84-88-8,Oc1ccc(c2cccnc12)S(=O)(=O)O,mutagenic
110417-88-4,CCC(C)C(C(CC(=O)N1CCCC1C(OC)C(C)C(=O)NC(Cc2ccccc2)c3nccs3)OC)N(C)C(=O)C(NC(=O)C(C(C)C)N(C)C)C(C)C,non-mutagenic
112368-27-1,Clc1ccc(N2C(=O)CCC2=O)c(Cl)c1Cl,non-mutagenic
29975-16-4,Clc1ccc2c(c1)C(=NCc3nncn23)c4ccccc4,non-mutagenic
96614-59-4,NC(CCC(=O)NC(CS\C(=C\Cl)\Cl)C(=O)NCC(=O)O)C(=O)O,mutagenic
25168-26-7,CC(C)CCCCCOC(=O)Cc1ccc(Cl)cc1Cl,non-mutagenic
4436-24-2,C(C1CO1)c2ccccc2,mutagenic
NOCAS_M123,N[C@@H](CS\C(=C\Cl)\Cl)C(=O)O,mutagenic
131-17-9,C=CCOC(=O)c1ccccc1C(=O)OCC=C,non-mutagenic
709-98-8,CCC(=O)Nc1ccc(Cl)c(Cl)c1,non-mutagenic
3351-30-2,Cc1cccc2ccc3c4ccccc4ccc3c12,mutagenic
7350-43-8,CC(=O)Nc1nc(\C=C/c2oc(cc2)[N+](=O)[O-])cs1,mutagenic
86-86-2,NC(=O)Cc1cccc2ccccc12,mutagenic
21314-05-6,Nc1ncnc2c1ncn2c3ccc(cc3)[N+](=O)[O-],mutagenic
146177-57-3,Cc1cc2c(nc(N)n2C)c3nccnc13,mutagenic
15545-48-9,CN(C)C(=O)Nc1ccc(C)c(Cl)c1,non-mutagenic
NOCAS_M219,O[C@H]1C=Cc2cc3c(cc2[C@@H]1O)c4cccc5cccc3c45,mutagenic
16709-86-7,C[Si](C)(CCl)C=C,non-mutagenic
60448-19-3,O1[C@@H]2[C@H]1c3cccc4ccc5cc6ccccc6c2c5c34,mutagenic
620-25-7,Cc1cccc(NO)c1,mutagenic
122-34-9,CCNc1nc(Cl)nc(NCC)n1,non-mutagenic
121958-18-7,C1CC2CCc3ccccc3C24OC4C1,non-mutagenic
1943-79-9,CNC(=O)Oc1ccccc1,non-mutagenic
77-09-8,Oc1ccc(cc1)C2(OC(=O)c3ccccc23)c4ccc(O)cc4,non-mutagenic
1198-61-4,Fc1c(F)c(Cl)c(F)c(Cl)c1F,non-mutagenic
1520-21-4,Nc1ccc(C=C)cc1,mutagenic
50-55-5,CO[C@H]1[C@@H](C[C@H]2CN3CCc4c([nH]c5cc(OC)ccc45)[C@H]3C[C@@H]2[C@@H]1C(=O)OC)OC(=O)c6cc(OC)c(OC)c(OC)c6,non-mutagenic
920-66-1,OC(C(F)(F)F)C(F)(F)F,non-mutagenic
136112-72-6,[O-][N+](=O)c1ccc(Nc2ncnc3c2ncn3c4ccc(cc4)[N+](=O)[O-])cc1,mutagenic
3032-55-1,CC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-],non-mutagenic
27969-93-3,Cc1cccc(C)c1N=Nc2c(O)ccc3ccccc23,non-mutagenic
28921-94-0,C\C=C\C1OC(=O)C=CC1O,non-mutagenic
610-30-0,OC(=O)c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],mutagenic
505-23-7,C1CSCSC1,mutagenic
1552-42-7,CN(C)c1ccc(cc1)C2(OC(=O)c3cc(ccc23)N(C)C)c4ccc(cc4)N(C)C,non-mutagenic
530-52-9,Oc1c2ccoc2nc3ccccc13,non-mutagenic
107027-12-3,CN(C)CCNC(=O)c1cccc2ccc(nc12)c3ccccc3,mutagenic
158321-20-1,Nc1ccc2c3ccccc3[nH]c2c1[N+](=O)[O-],mutagenic
622-20-8,C(CSc1ccccc1)Sc2ccccc2,non-mutagenic
723-46-6,Cc1onc(NS(=O)(=O)c2ccc(N)cc2)c1,non-mutagenic
50880-65-4,Oc1c(N=Nc2ccc(cc2)S(=O)(=O)O)c3ccc(cc3cc1S(=O)(=O)O)S(=O)(=O)O,mutagenic
5401-94-5,[O-][N+](=O)c1ccc2[nH]ncc2c1,mutagenic
28920-43-6,ClC(=O)OCC1c2ccccc2c3ccccc13,mutagenic
81851-68-5,Cc1cc2ccccc2c3ccc4C(O)C(O)C5OC5c4c13,mutagenic
76014-81-8,CN(CCCC(O)c1cccnc1)N=O,mutagenic
32588-76-4,Brc1c(Br)c(Br)c2C(=O)N(CCN3C(=O)c4c(Br)c(Br)c(Br)c(Br)c4C3=O)C(=O)c2c1Br,non-mutagenic
60129-60-4,CC12CCCC(C)(C1CCC34CC(=C)C(CCC23)(C4)OC5OC(CO)C(O)C(O)C5O)C(=O)O,mutagenic
55556-94-0,C[C@H]1CN(CCN1N=O)N=O,mutagenic
110-86-1,c1ccncc1,non-mutagenic
107-04-0,ClCCBr,mutagenic
191-07-1,c1cc2ccc3ccc4ccc5ccc6ccc1c7c6c5c4c3c27,mutagenic
99-33-2,[O-][N+](=O)c1cc(cc(c1)[N+](=O)[O-])C(=O)Cl,mutagenic
610-66-2,[O-][N+](=O)c1ccccc1CC#N,mutagenic
34866-46-1,CC(C)(C)NCC(O)c1ccc(O)c(NC(=O)N)c1,non-mutagenic
106-22-9,CC(CCO)CCC=C(C)C,non-mutagenic
478-08-0,OCc1c(O)cc2C(=O)c3ccccc3C(=O)c2c1O,mutagenic
141-78-6,CCOC(=O)C,non-mutagenic
5461-85-8,CC(C)CN(N=O)C(=N)N[N+](=O)[O-],mutagenic
87-51-4,OC(=O)Cc1c[nH]c2ccccc12,non-mutagenic
695-99-8,ClC1=CC(=O)C=CC1=O,non-mutagenic
100-14-1,[O-][N+](=O)c1ccc(CCl)cc1,mutagenic
107-12-0,CCC#N,non-mutagenic
153260-26-5,CC(=O)Nc1nc2C3=CCCN(CC=C)C3CCc2s1,non-mutagenic
52748-31-9,O1C=CC2OC2C=C1,non-mutagenic
147293-13-8,Cn1c(N)nc2c3ncccc3ccc12,mutagenic
24815-24-5,CO[C@H]1[C@@H](C[C@H]2CN3CCc4c([nH]c5cc(OC)ccc45)[C@H]3C[C@@H]2[C@@H]1C(=O)OC)OC(=O)\C=C\c6cc(OC)c(OC)c(OC)c6,non-mutagenic
56211-40-6,CC(C)NC(=O)NS(=O)(=O)c1cnccc1Nc2cccc(C)c2,non-mutagenic
4741-24-6,O1OC2c3ccccc3C1c4ccccc24,non-mutagenic
94500-46-6,ClCc1cc2cc3ccccc3c4ccc5cccc1c5c24,mutagenic
110-69-0,CCC\C=N/O,mutagenic
15403-45-9,COC(=O)c1cc(ccc1N)c2ccc(N)c(c2)C(=O)OC,mutagenic
1646-75-9,CSC(C)(C)\C=N/O,non-mutagenic
16400-63-8,ClCC(=C)Br,mutagenic
216-48-8,C1=Cc2cc3c4ccccc4ccc3c5cccc1c25,mutagenic
NOCAS_M367,BrC[C@@H](Br)[C@@H]1CC[C@@H](Br)[C@@H](Br)C1,non-mutagenic
95-16-9,c1ccc2scnc2c1,non-mutagenic
117-82-8,COCCOC(=O)c1ccccc1C(=O)OCCOC,mutagenic
26196-04-3,COC1OC1(C)C,mutagenic
85048-96-0,OCC1OC(O)C(O)C(Op2(OC3C(O)C(O)OC(CO)C3O)np(OC4C(O)C(O)OC(CO)C4O)(OC5C(O)C(O)OC(CO)C5O)np(OC6C(O)C(O)OC(CO)C6O)(OC7C(O)C(O)OC(CO)C7O)n2)C1O,non-mutagenic
98640-42-7,CC(=O)NC(CS\C(=C(/F)\C(F)(F)F)\F)C(=O)O,non-mutagenic
29814-12-8,CC(C)OC1OC(=O)C(=C1Cl)Cl,mutagenic
1874-24-4,COC(=O)\C=C\c1oc(cc1)[N+](=O)[O-],mutagenic
88652-48-6,CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCCC(C)O,non-mutagenic
21232-47-3,[O-][N+](=Nc1ccc(Cl)c(Cl)c1)c2ccc(Cl)c(Cl)c2,non-mutagenic
NOCAS_M395,O[C@@H]1CO[C@@](O)(CN(CC(=O)O)N=O)[C@H](O)[C@@H]1O,non-mutagenic
127-69-5,Cc1noc(NS(=O)(=O)c2ccc(N)cc2)c1C,non-mutagenic
3958-57-4,[O-][N+](=O)c1cccc(CBr)c1,non-mutagenic
20861-99-8,C1O[C@@H]1c2ccc3ccccc3c2,mutagenic
40297-54-9,OCC1OC(C(O)C1O)n2cnc3c(NCc4ccc(cc4)[N+](=O)[O-])ncnc23,mutagenic
78865-83-5,CCCCCCCCCCSCn1cc[n+](C)c1,mutagenic
142741-10-4,Cc1nc(cc2c3cc(cc(c3[nH]c12)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],mutagenic
131-14-6,Nc1ccc2C(=O)c3cc(N)ccc3C(=O)c2c1,mutagenic
108043-88-5,Cn1c(N)nc2c3ccc(O)nc3ccc12,mutagenic
5598-13-0,COP(=S)(OC)Oc1nc(Cl)c(Cl)cc1Cl,non-mutagenic
507-19-7,CC(C)(C)Br,mutagenic
124340-47-2,CN(C)CCNC(=O)c1cccc2[nH]c(nc12)c3ccccc3,mutagenic
129833-02-9,CC(=O)C1(C)OC12C=Cc3ccccc3C2=O,non-mutagenic
959-33-1,COc1ccc(\C=C\C(=O)c2ccccc2)cc1,non-mutagenic
100772-18-7,CC(CCC(=O)O)C1CCC2C3CCc4cc(O)ccc4C3CCC12C,non-mutagenic
109-55-7,CN(C)CCCN,non-mutagenic
31688-71-8,CC(=O)OCc1c2ccccc2c(C)c3ccccc13,mutagenic
60262-82-0,OC1C(Oc2ccc3ccc4cc5ccccc5c6ccc2c3c46)OC(C(O)C1O)C(=O)O,non-mutagenic
41044-12-6,CCN(CC)c1ccc2C=C(C(=O)Oc2c1)c3nc4ccccc4n3C,non-mutagenic
20153-98-4,COc1cc(cc(OC)c1OC)C(=O)OCCCN2CCCN(CCCOC(=O)c3cc(OC)c(OC)c(OC)c3)CC2,non-mutagenic
24424-99-5,CC(C)(C)OC(=O)OC(=O)OC(C)(C)C,non-mutagenic
24554-26-5,[O-][N+](=O)c1oc(cc1)c2csc(NC=O)n2,mutagenic
23452-05-3,COc1cc(O)c2C(=O)Oc3cc(O)cc(C)c3c2c1,non-mutagenic
125-46-2,CC(=O)C1C(=O)C=C2Oc3c(C(=O)C)c(O)c(C)c(O)c3C2(C)C1=O,non-mutagenic
25635-22-7,CCOC(=O)c1cccc2cccnc12,non-mutagenic
120-22-9,CCN(CC)c1ccc(cc1)N=O,mutagenic
52101-40-3,OC(=O)c1oc(c(c2ccccc2)c1c3ccccc3)[N+](=O)[O-],mutagenic
528-29-0,[O-][N+](=O)c1ccccc1[N+](=O)[O-],mutagenic
4337-65-9,CCCC[C@@H](CC)COC(=O)CCCCC(=O)O,non-mutagenic
9003-39-8,C=CN1CCCC1=O,non-mutagenic
118-71-8,CC1=C(O)C(=O)C=CO1,mutagenic
580-22-3,Nc1ccc2ccccc2n1,mutagenic
94-59-7,C=CCc1ccc2OCOc2c1,non-mutagenic
123-91-1,C1COCCO1,non-mutagenic
110933-34-1,Cc1c2ccccc2c(COS(=O)(=O)O)c3ccc4ccccc4c13,mutagenic
120-36-5,CC(Oc1ccc(Cl)cc1Cl)C(=O)O,non-mutagenic
76215-00-4,CC(=O)OCN(CCCl)N=O,mutagenic
35483-50-2,COC(=O)CC1Cc2cc3cc(OC)c(c(O)c3c(O)c2C(=O)O1)c4c(O)c5c(O)c6C(=O)OC(CC(=O)OC)Cc6cc5cc4OC,non-mutagenic
33942-93-7,Cc1ccc2nc3c(ccc4ccccc34)cc2c1,mutagenic
612-83-9,Nc1ccc(cc1Cl)c2ccc(N)c(Cl)c2,mutagenic
79243-67-7,CCCC1(O)CCC2C3CCC4CC(=O)CC(C)C4(C)C3CCC12C,non-mutagenic
80-40-0,CCOS(=O)(=O)c1ccc(C)cc1,mutagenic
108-24-7,CC(=O)OC(=O)C,non-mutagenic
7132-67-4,Nc1c2ccccc2nc3ccc(O)cc13,mutagenic
15176-29-1,CCC1=CN(C2CC(O)C(CO)O2)C(=O)NC1=O,non-mutagenic
2453-44-3,O=C(\C=C\c1ccccc1)c2ccc(cc2)c3ccccc3,non-mutagenic
24684-49-9,COc1cc2c3CCC(=O)c3cc(C)c2c4ccccc14,mutagenic
533-31-3,Oc1ccc2OCOc2c1,non-mutagenic
91-22-5,c1ccc2ncccc2c1,mutagenic
21919-05-1,NC(=O)c1cc(N2CC2)c(cc1[N+](=O)[O-])[N+](=O)[O-],mutagenic
NOCAS_M209,CC(=C)C(=O)OC[C@H](Br)CBr,mutagenic
NOCAS_M425,CC\C=C\[C@@H](CC)C=O,non-mutagenic
49852-84-8,ClCc1c2ccccc2c3ccc4cccc5ccc1c3c45,non-mutagenic
101-83-7,C1CCC(CC1)NC2CCCCC2,non-mutagenic
99026-65-0,CC(=O)Nc1cc(O)c2ccc3cccc4ccc1c2c34,mutagenic
619-67-0,NNc1ccc(cc1)C(=O)O,non-mutagenic
81593-13-7,CCOP(=O)(OCC)N1C2C1c3ccccc3c4ccccc24,mutagenic
2363-23-7,CSc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],mutagenic
29122-68-7,CC(C)NCC(O)COc1ccc(CC(=O)N)cc1,non-mutagenic
620-22-4,Cc1cccc(c1)C#N,non-mutagenic
506-21-8,CCCCC\C=C\C\C=C\CCCCCCCC(=O)O,non-mutagenic
96-34-4,COC(=O)CCl,non-mutagenic
535-80-8,OC(=O)c1cccc(Cl)c1,non-mutagenic
106-46-7,Clc1ccc(Cl)cc1,non-mutagenic
146724-31-4,OCc1cc2ccc3cccnc3c2[nH]1,non-mutagenic
23255-93-8,CCN(CC)CCNc1ccc(COS(=O)(=O)C)c2Sc3ccccc3C(=O)c12,mutagenic
153654-35-4,Oc1ccc2c3ccccc3[nH]c2c1[N+](=O)[O-],non-mutagenic
874-42-0,Clc1ccc(C=O)c(Cl)c1,non-mutagenic
74339-99-4,Oc1ccc2c(c1)c3cc4ccccc4c5cc6ccccc6c2c35,mutagenic
609-65-4,ClC(=O)c1ccccc1Cl,mutagenic
312304-87-3,CC(=O)OCN(CCCCl)N=O,mutagenic
NOCAS_M38,COc1cc(O)c2C(=O)c3c(OC)cc4O[C@@H]5OC=C[C@H]5c4c3Oc2c1OC,mutagenic
77784-21-5,COc1ccc2c(cc3N(C)C(=O)C(=O)c4cc5OCOc5c2c34)c1OC,mutagenic
56803-37-3,CC(C)(C)c1ccc(OP(=O)(Oc2ccccc2)Oc3ccccc3)cc1,non-mutagenic
NOCAS_M236,C[C@@H](Br)CBr,mutagenic
4569-77-1,Nc1cc2nc3ccccc3nc2cc1O,mutagenic
6111-78-0,Cc1cccc2cc3ccc4ccccc4c3cc12,mutagenic
34549-30-9,OCC(CO)(CCBr)CCBr,mutagenic
76-03-9,OC(=O)C(Cl)(Cl)Cl,non-mutagenic
130965-73-0,OS(=O)(=O)OCc1ccc2ccc3cccc4ccc1c2c34,mutagenic
7473-93-0,[O-][N+](=O)c1ccccc1\C=C\C(=O)c2ccccc2,non-mutagenic
2429-73-4,Nc1ccc2cc(c(N=Nc3ccc(cc3)c4ccc(cc4)N=Nc5c(O)c6c(N)cc(cc6cc5S(=O)(=O)O)S(=O)(=O)O)c(O)c2c1)S(=O)(=O)O,mutagenic
NOCAS_M563,CCCCCCCCCC[C@H]1CO1,non-mutagenic
129176-04-1,ClC1OC1CBr,mutagenic
28804-88-8,Cc1ccc2ccccc2c1C,non-mutagenic
119-93-7,Cc1cc(ccc1N)c2ccc(N)c(C)c2,mutagenic
50-06-6,CCC1(C(=O)NC(=O)NC1=O)c2ccccc2,mutagenic
5397-37-5,[O-][N+](=O)c1ccc2Cc3ccccc3c2c1,mutagenic
4809-35-2,CC(C)(c1ccc(OCC(O)CCl)cc1)c2ccc(OCC(O)CCl)cc2,non-mutagenic
786-66-3,O=C1CCc2c1ccc3c2ccc4ccccc34,mutagenic
484-47-9,c1ccc(cc1)c2nc(c3ccccc3)c([nH]2)c4ccccc4,mutagenic
111380-09-7,Cn1cnc(N=O)c1c2ccccc2,mutagenic
95307-47-4,CC12CCCC(C)(C1CCC34CC(O)(CCC23)C(=C)C4O)C(=O)O,non-mutagenic
18031-40-8,CC(=C)C1CCC(=CC1)C=O,non-mutagenic
87-86-5,Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl,non-mutagenic
139953-96-1,CC\C=C\C=C\C=C\C=C\C=C\OCCCO,mutagenic
774-15-2,CC(C)Nc1snc2ccccc12,non-mutagenic
51410-45-8,COc1ccc(CC2CO2)cc1,mutagenic
23590-73-0,NNc1nncc2cccnc12,mutagenic
91-68-9,CCN(CC)c1cccc(O)c1,mutagenic
924-42-5,OCNC(=O)C=C,non-mutagenic
125239-64-7,COc1cc2nc3cc(N)c(OC)cc3nc2cc1N,mutagenic
98046-74-3,Cc1cccn2c1nc3c(C)c(cnc23)[N+](=O)[O-],mutagenic
4291-30-9,Oc1c(cccc1[N+](=O)[O-])c2ccccc2,non-mutagenic
619-73-8,OCc1ccc(cc1)[N+](=O)[O-],non-mutagenic
68906-23-0,Clc1cc(Cl)c(Oc2ccc(NC=O)cc2)c(Cl)c1,mutagenic
113124-69-9,COC1=CC(=O)c2c([nH]cc3c4CCCCc4nc23)C1=O,mutagenic
90147-18-5,CCCOC(=O)\C=C\c1oc(cc1)[N+](=O)[O-],mutagenic
1070-13-9,CCCC(=C)C=O,mutagenic
75-31-0,CC(C)N,non-mutagenic
82486-82-6,CCCCN(CCO[N+](=O)[O-])[N+](=O)[O-],mutagenic
4698-96-8,C(Oc1ccc(cc1)c2ccccc2)C3CO3,mutagenic
1477-42-5,Cc1cccc2sc(N)nc12,non-mutagenic
14625-58-2,Cc1cccc(c1)c2oc3ccccc3n2,non-mutagenic
99601-31-7,CCn1c(N)nc2c3nc(C)cnc3ccc12,mutagenic
NOCAS_M108,O=C1N(C[C@H]2CO2)C(=O)N(C[C@H]3CO3)C(=O)N1C[C@H]4CO4,mutagenic
86853-91-0,O=C1c2cccc3ccc4c5ccccc5cc1c4c23,mutagenic
7059-24-7,COC(C1Cc2cc3cc(OC4CC(OC5CC(O)C(OC)C(C)O5)C(OC(=O)C)C(C)O4)c(C)c(O)c3c(O)c2C(=O)C1OC6CC(OC7CC(OC8CC(C)(O)C(OC(=O)C)C(C)O8)C(O)C(C)O7)C(O)C(C)O6)C(=O)C(O)C(C)O,non-mutagenic
99601-33-9,CCn1c(N)nc2c3cccnc3ccc12,mutagenic
13838-16-9,FC(F)OC(F)(F)C(F)Cl,non-mutagenic
29086-39-3,Cl\C=C(/Cl)\c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl,non-mutagenic
90509-02-7,COC(=O)Nc1nc2cc(OS(=O)(=O)c3ccc(F)cc3)ccc2[nH]1,non-mutagenic
110783-84-1,COc1cc(N)cc(OC)c1N,non-mutagenic
148174-24-7,ClCCCC(=O)\N=C\1/SN(C(=O)CCCCl)c2ccccc12,non-mutagenic
594-20-7,CC(C)(Cl)Cl,non-mutagenic
NOCAS_M15,CCOC(=O)[C@@H](C)C[C@](C)(C[C@H](C[C@@](C)(C[C@@H](C[C@](C)(CC)C(=O)O)C(=O)OCC)C(=O)O)C(=O)OCC)C(=O)O,mutagenic
13014-24-9,Clc1ccc(cc1Cl)C(Cl)(Cl)Cl,mutagenic
540-80-7,CC(C)(C)ON=O,mutagenic
104-91-6,Oc1ccc(cc1)N=O,mutagenic
62450-07-1,CC1=NC(=C[C@H]2[C@@H]1Nc3ccccc23)N,mutagenic
2318-18-5,C\C=C\1/CC(C)C(C)(O)C(=O)OCC2=CC[N+]3(C)CCC(OC1=O)C23O,mutagenic
84-79-7,CC(=CCC1=C(O)C(=O)c2ccccc2C1=O)C,non-mutagenic
481-73-2,OCc1cc(O)c2C(=O)c3c(O)cc(O)cc3C(=O)c2c1,mutagenic
26306-61-6,Nc1ccc(Oc2c(Cl)cc(Cl)cc2Cl)cc1,mutagenic
132898-07-8,Cc1cc2nc(C)c(C)nc2c3nc(N)n(C)c13,mutagenic
99240-68-3,CC(=O)Nc1cc2Cc3ccccc3c2cc1OC(=O)c4ccccc4,non-mutagenic
26078-25-1,CCNc1cc2OC(=O)C=C(C)c2cc1C,non-mutagenic
88381-44-6,OC(=O)C1CSCN1N=O,non-mutagenic
1122-58-3,CN(C)c1ccncc1,non-mutagenic
61421-83-8,Oc1ccc(Nc2c3ccccc3nc4ccccc24)cc1,mutagenic
50330-59-1,CN(C)C(=O)c1nc2CN=C(c3ccccc3Cl)c4cc(Cl)ccc4n2n1,non-mutagenic
68-11-1,OC(=O)CS,non-mutagenic
538-23-8,CCCCCCCC(=O)OCC(COC(=O)CCCCCCC)OC(=O)CCCCCCC,mutagenic
5466-84-2,[O-][N+](=O)c1ccc2C(=O)OC(=O)c2c1,mutagenic
NOCAS_M2,NC(=O)C[C@H]1CO1,mutagenic
19408-84-5,COc1cc(CNC(=O)CCCCCCC(C)C)ccc1O,mutagenic
NOCAS_M496,O[C@H](C#N)c1ccccc1,non-mutagenic
50502-17-5,CC(=O)Nc1ccc2ccccc2n1,non-mutagenic
80-71-7,CC1=C(O)C(=O)CC1,non-mutagenic
110-30-5,CCCCCCCCCCCCCCCCCC(=O)NCCNC(=O)CCCCCCCCCCCCCCCCC,non-mutagenic
56-05-3,Nc1nc(Cl)cc(Cl)n1,non-mutagenic
41533-75-9,[O-][N+](=O)c1cccc2c(Cl)nsc12,mutagenic
173450-37-8,CCN(CC)C(=O)c1cc(Cc2ccc(N)c(c2)C(=O)N(CC)CC)ccc1N,non-mutagenic
24752-66-7,CC(Cl)C(=O)NCc1ccccc1,non-mutagenic
67-99-2,CN1C(=O)C23CC4=CC=CC(O)C4N2C(=O)C1(CO)SS3,non-mutagenic
632-99-5,Cc1cc(ccc1N)C(=C2C=CC(N)C=C2)c3ccc(N)cc3,mutagenic
7330-46-3,Nc1ccc(Cc2ccc(N)c(c2)C(=O)O)cc1C(=O)O,non-mutagenic
34627-78-6,CC(=O)O[C@H](C=C)c1ccc2OCOc2c1,mutagenic
100527-20-6,[O-][N+](=O)c1ccc2ccc3ccc(cc3c2c1)[N+](=O)[O-],mutagenic
119169-78-7,CC(C)(C)NC(=O)C1CCC2C3CC=C4C=C(CCC4(C)C3CCC12C)C(=O)O,non-mutagenic
100325-51-7,CCN1C=C(C(=O)O)C(=O)c2cc(F)c(c(F)c12)c3ccncc3,non-mutagenic
94500-43-3,OCc1cc2c3ccccc3cc4ccc5cccc1c5c24,non-mutagenic
583-78-8,Oc1cc(Cl)ccc1Cl,non-mutagenic
16311-38-9,[O-][N+](=O)c1ccc(cc1)c2nc3sccn3c2[N+](=O)[O-],mutagenic
16561-29-8,CCCCCCCCCCCCCC(=O)O[C@@H]1[C@H](C)[C@]2(O)[C@@H](C=C(CO)C[C@]3(O)[C@H]2C=C(C)C3=O)[C@H]4C(C)(C)[C@@]14OC(=O)C,non-mutagenic
136379-59-4,CCCCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O)C(CC(C)CC(O)CCCCCCC(O)C(C)N)OC(=O)CC(CC(=O)O)C(=O)O,non-mutagenic
19057-60-4,CC1CCC2(OC1)OC3CC4C5CC=C6CC(CCC6(C)C5CCC4(C)C3C2C)OC7OC(CO)C(OC8OC(C)C(O)C(O)C8O)C(O)C7OC9OC(C)C(O)C(O)C9O,non-mutagenic
286-75-9,C1CC2OC2CCC3OC13,non-mutagenic
38707-70-9,O=Cc1cccc2cccnc12,mutagenic
1817-73-8,Nc1c(Br)cc(cc1[N+](=O)[O-])[N+](=O)[O-],mutagenic
3387-36-8,OC1C(O)C(OC1COP(=O)(O)O)N2C=CC(=O)NC2=O,non-mutagenic
4568-36-9,Oc1c(Cl)cc(Cl)cc1S(=O)(=O)c2cc(Cl)cc(Cl)c2O,non-mutagenic
133762-80-8,CC1=CN(CC(O)CN=N#N)C(=O)NC1=O,mutagenic
95-64-7,Cc1ccc(N)cc1C,mutagenic
71-58-9,CC1CC2C(CCC3(C)C2CCC3(OC(=O)C)C(=O)C)C4(C)CCC(=O)C=C14,non-mutagenic
492-27-3,OC(=O)c1cc(O)c2ccccc2n1,non-mutagenic
138245-73-5,OC(CN=N#N)C(O)C(O)C(O)C(=O)O,mutagenic
117135-59-8,CCCCN=NC(C)(C)OO,mutagenic
304-81-4,[O-][n+]1c2ccccc2nc3ccccc13,mutagenic
110419-21-1,[O-][N+](=O)c1cc(c2cccc3c4ccccc4c1c23)[N+](=O)[O-],mutagenic
NOCAS_M262,CN1c2ccccc2C(=O)c3c(O)cc4O[C@H](Cc4c13)C(=C)C,mutagenic
3930-19-6,COC1=C(N)C(=O)c2nc(ccc2C1=O)c3nc(C(=O)O)c(C)c(c3N)c4ccc(OC)c(OC)c4O,mutagenic
17233-93-1,CC(C)[C@@](O)([C@@H](C)O)C(=O)O,non-mutagenic
NOCAS_M322,OC(=O)C1=NN(C(=O)[C@H]1N=Nc2ccc(cc2)S(=O)(=O)O)c3ccc(cc3)S(=O)(=O)O,non-mutagenic
142438-61-7,NC(=O)C12OC1C(O)(NC2=O)c3ccccc3,non-mutagenic
2814-77-9,Oc1ccc2ccccc2c1N=Nc3ccc(cc3Cl)[N+](=O)[O-],mutagenic
91598-92-4,CC(=O)Nc1ccc2ccc3ccc(O)c4ccc1c2c34,mutagenic
92-94-4,c1ccc(cc1)c2ccc(cc2)c3ccccc3,non-mutagenic
NOCAS_M348,CCCC[C@@H](CC)COS(=O)(=O)O,non-mutagenic
110-00-9,o1cccc1,non-mutagenic
71382-50-8,N1C2C1c3cc4ccccc4c5ccc6cccc2c6c35,mutagenic
123392-56-3,NC(CCC(=O)NC(CSC(=O)NCCO)C(=O)NCC(=O)O)C(=O)O,non-mutagenic
68743-68-0,CCOC(=O)N(CCCC(=O)c1cccnc1)N=O,mutagenic
7213-98-1,CC(=O)Nc1cc2Cc3ccccc3c2cc1OC(=O)C,non-mutagenic
89930-59-6,CCCn1cc2CC3C(C=C(C)CN3C)c4cccc1c24,mutagenic
2980-32-7,Oc1cc(O)c2C(=O)c3c(O)ccc(O)c3Oc2c1,mutagenic
631-64-1,OC(=O)C(Br)Br,mutagenic
38412-38-3,Cc1ccc(cc1S(=O)(=O)O)N=Nc2c(O)c(cc3ccccc23)C(=O)O,non-mutagenic
38915-49-0,NCCN(CCCl)c1c2ccccc2nc3c1ccc4ccccc34,mutagenic
62641-66-1,O=NN1CCCNC1=O,mutagenic
102-08-9,S=C(Nc1ccccc1)Nc2ccccc2,non-mutagenic
1421-63-2,CCCC(=O)c1cc(O)c(O)cc1O,mutagenic
112022-08-9,CN(C)CCNC(=O)c1cccc2C(=O)c3ccccc3Oc12,mutagenic
604-35-3,CC(C)CCCC(C)C1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(=O)C,non-mutagenic
79-81-2,CCCCCCCCCCCCCCCC(=O)OC\C=C(/C)\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C,non-mutagenic
111238-10-9,Cc1c2ccccc2cc3ccc4C(=O)C(=O)C=Cc4c13,mutagenic
121111-61-3,COc1ccc(cc1OC)c2nc(c3ccc(C)cc3)c([nH]2)c4ccc(C)cc4,mutagenic
66931-57-5,C(OCc1cccc2ccccc12)C3CO3,mutagenic
504-88-1,OC(=O)CC[N+](=O)[O-],mutagenic
63041-90-7,[O-][N+](=O)c1c2ccccc2c3ccc4cccc5ccc1c3c45,mutagenic
90421-84-4,O=C1N(CC2CO2)Sc3ccccc13,non-mutagenic
6957-71-7,O=CNc1ccc2c(Cc3ccccc23)c1,mutagenic
133502-50-8,CN(C)c1ccc(cc1)C(=C2C=CC(=N)C=C2)c3ccc(cc3)N(C)C,non-mutagenic
25917-89-9,Cc1cc(N)c(cc1N)[N+](=O)[O-],mutagenic
1198-27-2,Nc1c(O)ccc2ccccc12,non-mutagenic
35142-05-3,COc1cccc2c1ccc3c(cc4OCOc4c23)C(=O)O,mutagenic
87919-37-7,CN(CCO)C(=O)Nc1ccc(Cl)c(Cl)c1,non-mutagenic
99601-32-8,CCn1c(N)nc2c3cccnc3cc(C)c12,mutagenic
75605-59-3,C[n+]1c2ccccc2cc3c(N)cccc13,mutagenic
147151-67-5,C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](CC[C@]34C)OC(=O)\C=C\c5cccc(c5)N(CCCl)CCCl)[C@@H]1CCC(=O)N2,mutagenic
131862-18-5,CN(C)CCNC(=O)c1ccc2ccc3cccnc3c2n1,mutagenic
85-48-3,OS(=O)(=O)c1cccc2cccnc12,non-mutagenic
24903-46-6,c1ccc2c(c1)ccc3cc4ccc5ccncc5c4cc23,mutagenic
70-54-2,NCCCCC(N)C(=O)O,mutagenic
10549-22-1,[O-][N+](=O)c1cc2CCc3cccc4CCc(c1)c2c34,mutagenic
18873-03-5,COc1ccc(cc1)C(=O)C2OC2c3ccccc3,non-mutagenic
507-55-1,FC(Cl)C(F)(F)C(F)(F)Cl,non-mutagenic
52819-96-2,COc1cc2OC3OC=CC3c2c4OC(=O)C5=C(C(O)CC5=O)c14,mutagenic
56299-00-4,CC1C(OC(=O)C)C2OC2C3=CC(=O)C4(CC13C)OC4(C)C=O,mutagenic
121111-59-9,Cc1ccc(cc1)c2nc([nH]c2c3ccc(C)cc3)c4ccc(C)cc4C,mutagenic
86674-49-9,Oc1cc(c2ccc3cccc4ccc1c2c34)[N+](=O)[O-],mutagenic
7068-83-9,CCCCN(C)N=O,mutagenic
39093-14-6,COc1cc(C)cc2C(=O)C(=CC(=O)c12)c3c(C)cc4C(=O)C=CC(=O)c4c3OC,non-mutagenic
98-01-1,O=Cc1occc1,mutagenic
4245-77-6,CCN(N=O)C(=N)N[N+](=O)[O-],mutagenic
90301-92-1,Cl\C=C\c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl,non-mutagenic
609-19-8,Oc1cc(Cl)c(Cl)c(Cl)c1,non-mutagenic
23184-66-9,CCCCOCN(C(=O)CCl)c1c(CC)cccc1CC,mutagenic
2244-21-5,ON1CN(Cl)CN(Cl)C1,non-mutagenic
NOCAS_M509,CCCC[C@@H](CC)C=O,non-mutagenic
55557-02-3,COC(=O)C1=CCCN(C1)N=O,mutagenic
36097-31-1,CN(CCO)C(=O)Nc1ccccc1,non-mutagenic
640-15-3,CCSCCSP(=S)(OC)OC,non-mutagenic
71989-02-1,Cc1c2ccccc2cc3c4C=CC(=O)C(=O)c4ccc13,mutagenic
13523-86-9,CC(C)NCC(O)COc1cccc2[nH]ccc12,non-mutagenic
60657-25-2,OC1C=Cc2c(cc3ccc4cccc5ccc2c3c45)C1O,mutagenic
10540-29-1,CC\C(=C(\c1ccccc1)/c2ccc(OCCN(C)C)cc2)\c3ccccc3,non-mutagenic
548-39-0,O=C1C=Cc2cccc3cccc1c23,mutagenic
18774-85-1,CCCCCCN(N=O)C(=O)N,mutagenic
97-63-2,CCOC(=O)C(=C)C,non-mutagenic
26780-96-1,CC1C(C)(C)Nc2ccccc2C1(C)C3C(C)(C)Nc4ccccc4C3(C)C,non-mutagenic
2687-40-3,CC(=O)Nc1ccc(Oc2ccc(cc2)[N+](=O)[O-])cc1,mutagenic
57-47-6,CNC(=O)Oc1ccc2N(C)C3N(C)CCC3(C)c2c1,non-mutagenic
619-72-7,[O-][N+](=O)c1ccc(cc1)C#N,non-mutagenic
768-52-5,CC(C)Nc1ccccc1,non-mutagenic
113698-23-0,Cc1nc2C(=O)C(=CC(=O)c2c3[nH]c4ccccc4c13)N5CC5,mutagenic
2466-76-4,CC(=O)n1ccnc1,non-mutagenic
NOCAS_M573,CC1(C)C[C@H](C[C@](C)(CN=C=O)C1)N=C=O,non-mutagenic
147293-15-0,Cn1c(N)nc2c3ccncc3ccc12,mutagenic
5392-40-5,CC(=CCC\C(=C/C=O)\C)C,non-mutagenic
114899-77-3,COc1cc2c(CCN[C@]23CSC4[C@H]5[C@@H]6N(C)[C@@H](Cc7cc(C)c(OC)c(O)c67)[C@H](O)N5[C@@H](COC3=O)c8c9OCOc9c(C)c(OC(=O)C)c48)cc1O,mutagenic
962-32-3,O1C2C1c3cc4ccccc4cc3c5ccccc25,mutagenic
199536-79-3,BrC(Br)C1=C(Br)C(=O)OC1,mutagenic
89925-00-8,CC1(CO1)C(=O)N,mutagenic
122-39-4,N(c1ccccc1)c2ccccc2,non-mutagenic
105708-80-3,OCc1c2ccccc2cc3c1ccc4ccccc34,mutagenic
67151-57-9,Cc1ccc(cc1N=[N+]([O-])c2cc(ccc2C)[N+](=O)[O-])[N+](=O)[O-],non-mutagenic
NOCAS_M132,C[C@@H]1CNC(=O)N1c2ncc(s2)[N+](=O)[O-],mutagenic
NOCAS_M571,CCCC[C@@H](CC)COP(=O)(OC[C@H](CC)CCCC)OC[C@H](CC)CCCC,non-mutagenic
105-11-3,ONc1ccc(cc1)N=O,mutagenic
51489-62-4,Clc1ccc(Oc2ccc(NC=O)cc2)cc1,mutagenic
125974-08-5,OC1OC(=O)C(=C1CCl)Cl,mutagenic
82-62-2,Oc1c(Cl)cc(Cl)c(Cl)c1[N+](=O)[O-],non-mutagenic
550-60-7,Oc1ccc2ccccc2c1[N+](=O)[O-],mutagenic
56-38-2,CCOP(=S)(OCC)Oc1ccc(cc1)[N+](=O)[O-],non-mutagenic
79642-27-6,Nc1[nH]ccc2nc3ccccc3c12,mutagenic
64091-91-4,CN(CCCC(=O)c1cccnc1)N=O,mutagenic
609-15-4,CCOC(=O)C(Cl)C(=O)C,non-mutagenic
129812-26-6,CC1=CC(=O)Oc2ccc3OC4(C)OOC4(C)c3c12,mutagenic
538-75-0,C1CCC(CC1)N=C=NC2CCCCC2,non-mutagenic
473-55-2,CC1CCC2CC1C2(C)C,non-mutagenic
132934-48-6,[O-][N+](=O)c1cccc2c1ncc3cnc4ccccc4c23,mutagenic
91-53-2,CCOc1ccc2NC(C)(C)C=C(C)c2c1,non-mutagenic
42373-04-6,C[n+]1ccsc1N=Nc2c(c3ccccc3)n(C)c4ccccc24,mutagenic
50-33-9,CCCCC1C(=O)N(N(C1=O)c2ccccc2)c3ccccc3,non-mutagenic
34237-98-4,Nc1ccc(cc1Br)c2ccc(N)c(Br)c2,mutagenic
15687-27-1,CC(C)Cc1ccc(cc1)C(C)C(=O)O,non-mutagenic
16354-55-5,CCc1c2ccccc2c(C)c3ccc4ccccc4c13,non-mutagenic
1836-75-5,[O-][N+](=O)c1ccc(Oc2ccc(Cl)cc2Cl)cc1,mutagenic
51-43-4,CNCC(O)c1ccc(O)c(O)c1,non-mutagenic
109-08-0,Cc1cnccn1,non-mutagenic
61695-73-6,C1O[C@@H]1c2c3ccccc3cc4ccccc24,mutagenic
230-27-3,c1ccc2c(c1)ccc3cccnc23,mutagenic
135-88-6,N(c1ccccc1)c2ccc3ccccc3c2,non-mutagenic
58329-89-8,Cc1ccc(cc1)N=Nc2ccc(cc2)N(CCO)CCO,non-mutagenic
106807-80-1,CNC(=O)N(O)C(=O)C,mutagenic
50-27-1,CC12CCC3C(CCc4cc(O)ccc34)C1CC(O)C2O,non-mutagenic
994-05-8,CCC(C)(C)OC,non-mutagenic
1576-87-0,CC\C=C\C=O,mutagenic
589-18-4,Cc1ccc(CO)cc1,non-mutagenic
131229-62-4,CCCCON(OC(=O)C)C(=O)c1ccc(Cl)cc1,mutagenic
155603-50-2,CCCCC(CC)COC(=O)c1ccc(cc1)C(=O)O,non-mutagenic
NOCAS_M305,CO[C@@H]1C[C@](C)(O)Cc2cc3C(=O)c4c5O[C@@H]6O[C@@](C)([C@H](O)[C@H]([C@H]6O)N(C)C)c5cc(O)c4C(=O)c3c(O)c12,mutagenic
121-32-4,CCOc1cc(C=O)ccc1O,non-mutagenic
62902-12-9,CNc1ccc(cc1)C(=C2C=CC(=NC)C=C2)c3ccc(cc3)N(C)C,non-mutagenic
103554-58-1,CN(C)CCNC(=O)c1cccc2c(O)c3ccccc3nc12,mutagenic
42579-28-2,O=NN1CC(=O)NC1=O,mutagenic
95152-79-7,Cc1cn2c(c(nc2s1)c3ccc(cc3)[N+](=O)[O-])[N+](=O)[O-],mutagenic
124-04-9,OC(=O)CCCCC(=O)O,non-mutagenic
57-06-7,C=CCN=C=S,mutagenic
518-28-5,COc1cc(cc(OC)c1OC)C2C3C(COC3=O)C(O)c4cc5OCOc5cc24,non-mutagenic
106-65-0,COC(=O)CCC(=O)OC,non-mutagenic
959-23-9,COc1ccc(cc1)C(=O)\C=C\c2ccccc2,non-mutagenic
28911-01-5,Cc1nnc2CN=C(c3ccccc3Cl)c4cc(Cl)ccc4n12,non-mutagenic
149127-56-0,CN=NC(C)(C)OO,mutagenic
93-68-5,CC(=O)CC(=O)Nc1ccccc1C,non-mutagenic
155506-70-0,CCOC(=O)C1=C(C)N=C(C)C(=C(O)OCC2COC3(CCCC3)O2)C1c4cccc(Cl)c4,non-mutagenic
158470-95-2,CC1C2C(=Nc3ccc(C)cc23)N(C)c4ccc(C)cc14,mutagenic
139953-98-3,CC\C=C\C=C\C=C\C=C\C=C\OCC(O)c1ccccc1,mutagenic
77-90-7,CCCCOC(=O)CC(CC(=O)OCCCC)(OC(=O)C)C(=O)OCCCC,non-mutagenic
389104-62-5,CC(C)c1cc(cc(C(C)C)c1N)c2ccccc2,non-mutagenic
142022-84-2,O=S1(=O)c2cccc3ccc4c5ccccc5cc1c4c23,mutagenic
220168-47-8,O=Cc1ccc(cc1)C(=O)ON(OCc2ccccc2)C(=O)c3ccccc3,mutagenic
108893-58-9,CC1(C)CC2=C(C=O)C3(CC3(C)C(O)C2(O)C1)C=O,mutagenic
585-79-5,[O-][N+](=O)c1cccc(Br)c1,mutagenic
155144-64-2,Cc1cc(cc(C)n1)c2cc3N(C4CC4)C5=CC(=O)N(O)C(=O)N5c3cc2F,mutagenic
166546-23-2,CN1CCN(CC1)c2ccc3[nH]c(CCCCCCc4ccc5[nH]c(nc5c4)c6ccc(cc6)N(CCCl)CCCl)nc3c2,non-mutagenic
157730-37-5,Cn1c(N)nc2nc3cccnc3cc12,non-mutagenic
25990-37-8,COC(=O)C[C@H]1[C@@]2(C)[C@H](OC3C[C@H](C(=C23)C)c4cocc4)[C@@H]5OC(=O)[C@]6(C)C=CC(=O)[C@@]1(C)C56,non-mutagenic
52315-07-8,CC1(C)C(C=C(Cl)Cl)C1C(=O)OC(C#N)c2cccc(Oc3ccccc3)c2,non-mutagenic
94339-55-6,OC1CC=Cc2c1cc3ccc4cccc5ccc2c3c45,mutagenic
51410-44-7,COc1ccc(cc1)C(O)C=C,non-mutagenic
73391-96-5,CN(Cc1ccccc1)C(=O)CBr,non-mutagenic
580-16-5,Oc1ccc2ncccc2c1,non-mutagenic
75-15-0,S=C=S,non-mutagenic
2031-67-6,CCO[Si](C)(OCC)OCC,non-mutagenic
78281-06-8,ON(C=O)c1ccc(cc1)c2ccccc2,mutagenic
480-85-3,OCC1=CCN2CC[C@@H](O)[C@@H]12,non-mutagenic
143603-72-9,CCOC(=O)c1[nH]c2ccccc2c1\N=C\c3ccc(cc3)[N+](=O)[O-],mutagenic
111955-24-9,CC(=O)OC1COC(Nc2ccc(cc2)C(=O)O)C(OC(=O)C)C1OC(=O)C,non-mutagenic
759-73-9,CCN(N=O)C(=O)N,mutagenic
188970-77-6,[O-][N+](=O)c1cc2[nH]c3cc(c4ccccc4c3c2c5ccccc15)[N+](=O)[O-],mutagenic
13911-90-5,Cc1cccc2nc3c(ccc4ccccc34)cc12,mutagenic
55400-87-8,O1C2C1c3cc4c(cc3c5ccccc25)C6OC6c7ccccc47,mutagenic
464-10-8,[O-][N+](=O)C(Br)(Br)Br,mutagenic
68498-25-9,OCC1OC(CC1O)n2cnc3c2ncn4ccnc34,non-mutagenic
109-16-0,CC(=C)C(=O)OCCOCCOCCOC(=O)C(=C)C,non-mutagenic
82617-23-0,NC(=O)OC1CO1,mutagenic
158729-23-8,Clc1cccc(NS(=O)(=O)c2cccc3cccnc23)c1,non-mutagenic
551-92-8,Cc1ncc([N+](=O)[O-])n1C,mutagenic
17026-81-2,CCOc1ccc(NC(=O)C)cc1N,mutagenic
103-83-3,CN(C)Cc1ccccc1,non-mutagenic
518-75-2,C[C@H]1OC=C2C(=C(C(=O)O)C(=O)C(=C2[C@@H]1C)C)O,non-mutagenic
NOCAS_M441,CCCCCCCCCC\C=C\[C@H]1CC(=O)OC1=O,non-mutagenic
27032-78-6,O=C1NCNC(=O)N1,mutagenic
60-57-1,ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]4C[C@H]([C@H]5O[C@@H]45)[C@@H]3[C@]1(Cl)C2(Cl)Cl,non-mutagenic
161697-00-3,CNc1ccc2nc(C)c(C)nc2c1C,mutagenic
111205-70-0,COC(=O)c1oc(NO)c(c2ccccc2)c1c3ccccc3,non-mutagenic
143924-52-1,OC1c2cccc3ccc4c5ccccc5cc1c4c23,mutagenic
122587-23-9,COC(=O)c1oc(N)c(Cl)c1Cl,non-mutagenic
67902-33-4,C1CC2=CC3OC3C=C(C1)O2,non-mutagenic
97869-39-1,CC[N+](=NC)[O-],non-mutagenic
97534-21-9,O=C(Nc1ccccc1)C2C(=O)NC(=S)NC2=O,non-mutagenic
99346-51-7,CCCNc1c(C(=O)O)c(Cl)ccc1[N+](=O)[O-],non-mutagenic
217-59-4,c1ccc2c3ccccc3c4ccccc4c2c1,mutagenic
74014-51-0,CCCC(=O)OC1C(C)OC(CC1(C)OC(=O)CC)OC2C(C)OC(OC3C(CC=O)CC(C)C(O)\C=C/C=C\CC(C)OC(=O)CC(O)C3OC)C(O)C2N(C)C,non-mutagenic
98451-51-5,Nc1cccc(c1CO)[N+](=O)[O-],non-mutagenic
66-56-8,Oc1cccc(c1[N+](=O)[O-])[N+](=O)[O-],mutagenic
111-44-4,ClCCOCCCl,mutagenic
64201-68-9,[O-][N+](=O)c1ccc(cc1)c2csc(NC=O)n2,mutagenic
2381-40-0,Cc1ccc2c(C)c3ccc4ccccc4c3nc2c1,mutagenic
24246-00-2,[O-][N+](=O)c1cccc2csnc12,mutagenic
616-69-3,Cc1cc(cc(c1C)[N+](=O)[O-])[N+](=O)[O-],non-mutagenic
78-89-7,CC(Cl)CO,mutagenic
111467-88-0,CC\C=C\C=C\C=C\C=C\C=C\OC,mutagenic
91540-29-3,CCCCCN1C2C1c3ccccc3c4ccccc24,mutagenic
61734-89-2,CCCCN(CCC(=O)C)N=O,mutagenic
40568-90-9,Cc1ccc2ccc3cc4ccccc4c5ccc1c2c35,mutagenic
114656-95-0,COC1=CC(=O)c2[nH]c(C)c3c4ccccc4nc3c2C1=O,mutagenic
102859-52-9,[O-][N+](=O)C1=Cc2ccc3ccc4cccc5cc1c2c3c45,mutagenic
158729-32-9,ONS(=O)(=O)c1cccc2cccnc12,non-mutagenic
55256-55-8,COc1c2[C@@H]3C=CO[C@H]3Oc2cc4Oc5c(CCC(C)(C)O)ccc(O)c5C(=O)c14,mutagenic
1758-68-5,Nc1ccc2C(=O)c3ccccc3C(=O)c2c1N,mutagenic
7247-89-4,C[C@@H]1CCCCN1N=O,mutagenic
50-65-7,Oc1ccc(Cl)cc1C(=O)Nc2ccc(cc2Cl)[N+](=O)[O-],mutagenic
39007-51-7,OCC1OC(C(O)C1O)n2cnc3c2ncn4ccnc34,non-mutagenic
95860-07-4,Cc1ccc(cc1NO)[N+](=O)[O-],non-mutagenic
29385-43-1,Cc1cccc2[nH]nnc12,non-mutagenic
85060-01-1,CC(O)C(C)[N+](=O)[O-],non-mutagenic
108-22-5,CC(=C)OC(=O)C,non-mutagenic
103878-84-8,NCCNC(=O)c1ccc(Cl)cn1,non-mutagenic
64-75-5,CN(C)[C@H]1[C@H]2C[C@H]3C(=C(O)[C@]2(O)C(=C(C(=O)N)C1=O)O)C(=O)c4c(O)cccc4[C@@]3(C)O,non-mutagenic
211-91-6,C1=Cc2c3c1cccc3cc4ccc5ccccc5c24,mutagenic
28322-02-3,CC(=O)Nc1cccc2Cc3ccccc3c12,mutagenic
36059-21-9,Cc1c(C)c(Br)c(Br)c(Br)c1Br,non-mutagenic
109143-18-2,COc1ccc(N(CCCl)CCCl)c2oc(cc12)[N+](=O)[O-],mutagenic
172374-57-1,CC(=O)Nc1ccc(Oc2ccc(NO)cc2)cc1,mutagenic
19200-30-7,CCN(CC)C(=S)SC1OC(CO)C(O)C(O)C1O,non-mutagenic
31335-69-0,ON(C=O)c1ccccc1,non-mutagenic
1191-41-9,CCOC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,mutagenic
22316-47-8,CN1C(=O)CC(=O)N(c2ccccc2)c3cc(Cl)ccc13,non-mutagenic
57781-14-3,CC(=O)OCC(=O)[C@]1(CC[C@H]2[C@@H]3C[C@@H](F)C4=CC(=O)C(=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C)Br)OC(=O)C,non-mutagenic
868-77-9,CC(=C)C(=O)OCCO,non-mutagenic
86247-86-1,CC(C)NCC(O)COc1cccc2CC(O)COc12,non-mutagenic
7481-89-2,NC1=NC(=O)N(C=C1)[C@@H]2CC[C@H](CO)O2,mutagenic
22868-29-7,Clc1cccc(c1)c2oc3ccccc3n2,non-mutagenic
591-27-5,Nc1cccc(O)c1,mutagenic
515-46-8,CCOS(=O)(=O)c1ccccc1,mutagenic
6471-49-4,COc1ccc(cc1N=Nc2c(O)c(cc3ccccc23)C(=O)Nc4cccc(c4)[N+](=O)[O-])[N+](=O)[O-],mutagenic
163275-59-0,Fc1cc2cccnc2c3ccccc13,mutagenic
NOCAS_M5,N\N=C\1/N=NC=C2C=CC=C[C@H]12,mutagenic
88-88-0,[O-][N+](=O)c1cc(c(Cl)c(c1)[N+](=O)[O-])[N+](=O)[O-],mutagenic
78-78-4,CCC(C)C,non-mutagenic
120143-20-6,NC(CCN=[N+]=[N-])C(=O)O,mutagenic
53956-04-0,CC1(C)C(CCC2(C)C1CCC3(C)C2C(=O)C=C4C5CC(C)(CCC5(C)CCC34C)C(=O)O)OC6OC(C(O)C(O)C6OC7OC(C(O)C(O)C7O)C(=O)O)C(=O)O,non-mutagenic
162022-88-0,NNc1nncc2cnccc12,mutagenic
99-65-0,[O-][N+](=O)c1cccc(c1)[N+](=O)[O-],mutagenic
82-45-1,Nc1cccc2C(=O)c3ccccc3C(=O)c12,mutagenic
106532-76-7,[O-][N+](=O)c1ccc2N(S\C(=N/C(=O)c3ccccc3[N+](=O)[O-])\c2c1)C(=O)c4ccccc4[N+](=O)[O-],mutagenic
21466-07-9,Oc1c(Br)cc(Br)cc1c2cc(Br)cc(Br)c2OP(=O)(O)O,non-mutagenic
51787-42-9,Cc1cc(C)c2nc3c(ccc4ccccc34)c(C)c2c1,mutagenic
NOCAS_M512,CCCC[C@@H](CC)COC(=O)C(=C(c1ccccc1)c2ccccc2)C#N,non-mutagenic
59405-70-8,COc1ccc(cn1)N=Nc2ccc(cc2)N(C)C,mutagenic
23702-49-0,O=C1Oc2cccc3ccc4cccc1c4c23,non-mutagenic
2150-55-2,NC1=N[C@@H](CS1)C(=O)O,non-mutagenic
709-49-9,[O-][N+](=O)c1ccc(I)c(c1)[N+](=O)[O-],mutagenic
115689-52-6,Nc1nc2c(CCc3ncccc23)s1,mutagenic
2835-97-4,Cc1cccc(O)c1N,non-mutagenic
92758-43-5,Nc1ccc2ccc3cc4ccccc4c5ccc1c2c35,mutagenic
142741-09-1,[O-][N+](=O)c1cc(c2[nH]c3cnc(cc3c2c1)[N+](=O)[O-])[N+](=O)[O-],mutagenic
112-27-6,OCCOCCOCCO,mutagenic
1806-54-8,CCCCCCCCOP(=O)(OCCCCCCCC)OCCCCCCCC,non-mutagenic
119-06-2,CCCCCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCCCCCC,non-mutagenic
142-78-9,CCCCCCCCCCCC(=O)NCCO,non-mutagenic
514-10-3,CC(C)C1=CC2=CCC3C(C)(CCCC3(C)C(=O)O)C2CC1,non-mutagenic
63104-32-5,Cc1cccc2cc3ccc4cccc5ccc(c12)c3c45,mutagenic
621-90-9,CNc1ccc(cc1)N=Nc2ccccc2,mutagenic
155379-83-2,Cc1cc(N)c(C)c(c1N)[N+](=O)[O-],mutagenic
150-68-5,CN(C)C(=O)Nc1ccc(Cl)cc1,non-mutagenic
NOCAS_M329,[O-][N+](=O)O[C@H]1CO[C@@H]2[C@@H](CO[C@H]12)O[N+](=O)[O-],non-mutagenic
87679-37-6,CCOC(=O)C(CCc1ccccc1)NC(C)C(=O)N2C3CCCCC3CC2C(=O)O,non-mutagenic
72-54-8,ClC(Cl)C(c1ccc(Cl)cc1)c2ccc(Cl)cc2,non-mutagenic
NOCAS_M431,C(C(C1CCCCC1)C2CCCCC2)[C@H]3CCCCN3,non-mutagenic
15743-13-2,ClC1=C(Cl)C(=O)C(Cl)(Cl)C1=O,non-mutagenic
103124-60-3,CCOC(=O)C(=NNc1ccc(cc1Cl)c2ccc(NN=C(C(=O)OCC)C(=O)OCC)c(Cl)c2)C(=O)OCC,non-mutagenic
838-95-9,CN(C)c1ccc(\C=C\c2ccccc2)cc1,mutagenic
118430-74-3,Cn1nc(cc1N)C2CC2,mutagenic
7085-19-0,C[C@@H](Oc1ccc(Cl)cc1C)C(=O)O,non-mutagenic
54897-62-0,CCN(CCCCO)N=O,mutagenic
968-81-0,CC(=O)c1ccc(cc1)S(=O)(=O)NC(=O)NC2CCCCC2,non-mutagenic
NOCAS_M203,[O-][N+](=O)c1ccc2[C@H]3O[C@H]3c4cccc5c6ccccc6c1c2c45,mutagenic
7085-85-0,CCOC(=O)C(=C)C#N,non-mutagenic
33389-36-5,OCCNc1nc(nc2ccccc12)c3ccc(s3)[N+](=O)[O-],mutagenic
60259-80-5,Cc1ccc(NN=NCc2ccc(cc2)[N+](=O)[O-])cc1,mutagenic
693-13-0,CC(C)N=C=NC(C)C,non-mutagenic
7570-36-7,Nc1ccc(\C=C\c2ccc(Cl)cc2)cc1,mutagenic
90-30-2,N(c1ccccc1)c2cccc3ccccc23,non-mutagenic
24316-91-4,NC(=O)c1[nH]cnc1[N+]#N,mutagenic
2461-42-9,C(Oc1cccc2ccccc12)C3CO3,mutagenic
99007-32-6,Cc1ccc(cc1S(=O)(=O)O)N=Nc2c(O)ccc3ccccc23,non-mutagenic
102234-07-1,O=C1NC2(CCCCC2)C(=O)N1CCN3CC3,mutagenic
119239-63-3,OC1C2OC2c3c(ccc4ncccc34)C1O,non-mutagenic
NOCAS_M210,OC[C@H](O)CCl,mutagenic
18296-44-1,CC(C)CC(=O)O[C@@H]1OC=C(COC(=O)C)C2=C[C@H](OC(=O)CC(C)C)[C@]3(CO3)[C@@H]12,mutagenic
13608-87-2,CC(=O)c1ccc(Cl)c(Cl)c1Cl,mutagenic
1622-57-7,Cn1c(N)nc2ccccc12,mutagenic
26676-89-1,OC1COC2(O)C1OC(=O)C2(O)Cc3c[nH]c4ccccc34,non-mutagenic
201-06-9,C1=Cc2cc3ccccc3c4cccc1c24,mutagenic
120-57-0,O=Cc1ccc2OCOc2c1,non-mutagenic
23740-25-2,COc1ccc2c(c1)C(=O)c3nccc4cc5OCOc5c2c34,mutagenic
59405-62-8,CN(C)c1ccc(N=Nc2cccnc2)c(NC(=O)C)c1,non-mutagenic
1172-18-5,CCN(CC)CCN1C(=O)CN=C(c2ccccc2F)c3cc(Cl)ccc13,non-mutagenic
17696-11-6,OC(=O)CCCCCCCBr,mutagenic
448-97-5,Nc1ccc(cc1F)c2ccc(N)c(F)c2,mutagenic
133-18-6,Nc1ccccc1C(=O)OCCc2ccccc2,non-mutagenic
17418-58-5,Nc1c(Oc2ccccc2)cc(O)c3C(=O)c4ccccc4C(=O)c13,mutagenic
3118-97-6,Cc1ccc(N=Nc2c(O)ccc3ccccc23)c(C)c1,mutagenic
21247-98-3,OCc1c2ccccc2c3ccc4cccc5ccc1c3c45,mutagenic
98601-00-4,Cc1cc2ccccc2c3cc4C=CC(O)C(O)c4cc13,mutagenic
4559-64-2,Nc1cc2nc3ccc(Cl)cc3nc2cc1N,mutagenic
14047-09-7,Clc1ccc(cc1Cl)N=Nc2ccc(Cl)c(Cl)c2,non-mutagenic
148193-31-1,Nc1cccc2c(Cl)nsc12,mutagenic
5234-06-0,C(Oc1ccc2ccccc2c1)C3CO3,mutagenic
23834-30-2,CN(C)CCN(C)N=O,mutagenic
2851-80-1,Cc1ccc2c(Cc3cc(C)ccc23)c1,non-mutagenic
93-58-3,COC(=O)c1ccccc1,non-mutagenic
98736-48-2,CN(Cc1cccc(c1)C(F)(F)F)N=O,mutagenic
6334-18-5,Clc1cccc(C=O)c1Cl,non-mutagenic
150-69-6,CCOc1ccc(NC(=O)N)cc1,non-mutagenic
22996-17-4,Nc1ccc(CO)c(c1)[N+](=O)[O-],mutagenic
53950-62-2,ON(C=O)c1ccc(Cl)c(Cl)c1,non-mutagenic
4403-90-1,Cc1ccc(Nc2ccc(N)c3C(=O)c4ccccc4C(=O)c23)c(c1)S(=O)(=O)O,mutagenic
1732-29-2,Oc1ccc2ccc3ccc(c4ccc1c2c34)[N+](=O)[O-],mutagenic
96301-34-7,CC1=CC(=O)C=C2CCC3C4CCC(=O)C4(C)CCC3C12C,non-mutagenic
133762-83-1,OC(CN=N#N)Cn1cnc2c(Cl)ncnc12,mutagenic
128-66-5,O=C1c2ccccc2c3ccc4C(=O)c5ccccc5c6ccc1c3c46,non-mutagenic
160543-08-8,Cc1c2ccc(CO)cc2nc3c1ccc4ccccc34,mutagenic
133591-38-5,Cc1ccc(C)c2c3cc(ccc3[nH]c12)[N+](=O)[O-],mutagenic
155164-68-4,COc1ccc(cc1)C(=O)N2N=CC(=C(Cl)C2=O)Cl,non-mutagenic
69140-51-8,CCC1OC1c2ccccc2,non-mutagenic
101-73-5,CC(C)Oc1ccc(Nc2ccccc2)cc1,non-mutagenic
111070-55-4,[O-][N+](=O)c1oc(\C=N\n2cccn2)cc1,mutagenic
NOCAS_M163,O[C@@H]1CC(=O)c2c(O)ccc3c4ccc(O)c5C(=O)CC[C@H](c45)[C@@]1(O)c23,mutagenic
107673-63-2,[O-][N+](=O)C1=Cc2c3ccc4ccccc4c3cc5cccc1c25,mutagenic
102-32-9,OC(=O)Cc1ccc(O)c(O)c1,mutagenic
1499-54-3,ONC(=O)CNC(=O)c1ccccc1,mutagenic
6792-33-2,FC(=C(F)Cl)F,non-mutagenic
NOCAS_M567,CN1[C@@H](CSCC(F)(F)F)Nc2cc(Cl)c(cc2S1(=O)=O)S(=O)(=O)N,non-mutagenic
91828-72-7,O[C@@H]1C=Cc2c(ccc3c4ccccc4c(cc23)[N+](=O)[O-])[C@H]1O,mutagenic
103-34-4,C1CN(CCO1)SSN2CCOCC2,non-mutagenic
14385-22-9,CC(C)C(=O)N(O)c1ccc(Cl)cc1,mutagenic
58139-47-2,OCCN(CCO)c1nc(nc2ccccc12)c3cccs3,non-mutagenic
148317-76-4,OCCNCCN1C(=O)c2ccccc2C3=C1c4ccccc4C3=O,non-mutagenic
999-29-1,CCOC(=O)CNC(=O)C=[N+]=[N-],mutagenic
3366-65-2,Nc1ccc2c(ccc3ccccc23)c1,mutagenic
2386-90-5,C1C[C@@H]2O[C@@H]2[C@H]1O[C@H]3CC[C@@H]4O[C@H]34,non-mutagenic
139-59-3,Nc1ccc(Oc2ccccc2)cc1,mutagenic
7209-38-3,NCCCN1CCN(CCCN)CC1,non-mutagenic
687-48-9,CCOC(=O)N(C)C,mutagenic
554-14-3,Cc1cccs1,non-mutagenic
10026-04-7,Cl[Si](Cl)(Cl)Cl,non-mutagenic
67-56-1,CO,non-mutagenic
320-51-4,Nc1ccc(Cl)c(c1)C(F)(F)F,non-mutagenic
115-07-1,CC=C,mutagenic
5343-65-7,Cc1ccc(NC(=O)CBr)cc1,non-mutagenic
1951-56-0,CC(C)NC(=O)\C=C/c1oc(cc1)[N+](=O)[O-],mutagenic
142713-65-3,COc1ccc(CNC(=O)C(C)Br)cc1OC,mutagenic
93673-39-3,Oc1cccc2c1ccc3c4C=Cc5cccc(cc23)c45,mutagenic
108342-09-2,N[C@H](CN=[N+]=[N-])C(=O)O,mutagenic
78859-43-5,CC(=C\C(=N\Nc1nncc2ccccc12)\C)C,mutagenic
58337-49-8,CC(=O)NC(CSCCCl)C(=O)O,mutagenic
22506-53-2,[O-][N+](=O)c1ccc2c(c1)c3ccc(c4cccc2c34)[N+](=O)[O-],mutagenic
4568-28-9,CCCCCCCCCCCCCCCCCC(=O)O,non-mutagenic
100-32-3,[O-][N+](=O)c1ccc(SSc2ccc(cc2)[N+](=O)[O-])cc1,mutagenic
3208-16-0,CCc1occc1,non-mutagenic
111959-96-7,ClC(=C(Cl)\C(=C(/Cl)\SCc1ccccc1)\Cl)Cl,mutagenic
10285-07-1,CC(C)C(O)(C(C)O)C(=O)OCC1=CCN2CCC(O)C12,non-mutagenic
93-46-9,N(c1ccc(Nc2ccc3ccccc3c2)cc1)c4ccc5ccccc5c4,mutagenic
2698-41-1,Clc1ccccc1C=C(C#N)C#N,mutagenic
27730-00-3,Brc1ccc(cc1)C2OC2C(=O)c3ccccc3,non-mutagenic
27046-19-1,ClCCN(CCCl)P1(=O)NC(=O)CCO1,mutagenic
93-52-7,BrCC(Br)c1ccccc1,mutagenic
17455-21-9,C1CCC2OCCOCCOC3CCCCC3OCCOCCOCCOC2C1,non-mutagenic
81-15-2,Cc1c(c(C)c(c(c1[N+](=O)[O-])C(C)(C)C)[N+](=O)[O-])[N+](=O)[O-],non-mutagenic
3102-87-2,Cc1c(C)c(N)c(C)c(C)c1N,non-mutagenic
288-32-4,c1c[nH]cn1,non-mutagenic
158729-20-5,Cc1ccccc1NS(=O)(=O)c2cccc3cccnc23,non-mutagenic
2564-65-0,OCc1c2ccccc2c(CO)c3c1ccc4ccccc34,mutagenic
5000-65-7,COc1cccc(c1)C(=O)CBr,non-mutagenic
68688-86-8,Cc1ccc2cc3c4[C@H](O)[C@H](O)C=Cc4ccc3c5CCc1c25,mutagenic
155014-06-5,CC(=O)Nc1cccc2cc(F)cnc12,mutagenic
79305-82-1,Nc1ccc(\C=C\c2cccc(N)c2)cc1,mutagenic
90147-21-0,CC(C)OC(=O)\C=C\c1oc(cc1)[N+](=O)[O-],mutagenic
83-72-7,OC1=CC(=O)C(=O)c2ccccc12,mutagenic
4080-31-3,Cl\C=C/C[N+]12CN3CN(CN(C3)C1)C2,mutagenic
96-98-0,Cc1ccc(cc1[N+](=O)[O-])C(=O)O,mutagenic
43000-65-3,C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](CC[C@]34C)OC(=O)Cc5ccc(cc5)N(CCCl)CCCl)[C@@H]1CCC(=O)N2,mutagenic
2592-95-2,On1nnc2ccccc12,non-mutagenic
85-22-3,CCc1c(Br)c(Br)c(Br)c(Br)c1Br,non-mutagenic
106-51-4,O=C1C=CC(=O)C=C1,non-mutagenic
7782-50-5,ClCl,non-mutagenic
90-15-3,Oc1cccc2ccccc12,non-mutagenic
2589-39-1,Cc1cc(O)c2C(=O)c3ccccc3C(=O)c2c1O,mutagenic
67910-07-0,CC(C)CC(=O)OCc1cocc2c(C=O)ccc12,mutagenic
151378-32-4,O[C@@H]1[C@@H](O)c2cccc3c4c(ccc5ccccc45)[C@]6(O[C@H]16)c23,mutagenic
51-03-6,CCCCOCCOCCOCc1cc2OCOc2cc1CCC,non-mutagenic
563-04-2,Cc1cccc(OP(=O)(Oc2cccc(C)c2)Oc3cccc(C)c3)c1,non-mutagenic
3228-99-7,ClCC(CCl)(CCl)CCl,non-mutagenic
125847-45-2,OC1C=Cc2ccc3c4ccccc4sc3c2C1O,non-mutagenic
100-43-6,C=Cc1ccncc1,non-mutagenic
26638-28-8,CCCCCCCCC(Cl)CCC(Cl)CC(Cl)C(Cl)C(Cl)CC(=O)OC,non-mutagenic
2255-17-6,COP(=O)(OC)Oc1ccc(c(C)c1)[N+](=O)[O-],mutagenic
51-02-5,CC(C)NCC(O)c1ccc2ccccc2c1,non-mutagenic
3114-70-3,N[C@@H]1CC[C@@H](N)CC1,non-mutagenic
7269-57-0,Nc1nc(NO)c2[nH]cnc2n1,mutagenic
51640-90-5,[O-][N+](=O)c1cccc2c1OC(=O)c3ccccc23,mutagenic
2385-85-5,ClC1(Cl)[C@@]2(Cl)[C@]3(Cl)[C@@]4(Cl)C(Cl)(Cl)[C@]5(Cl)[C@@](Cl)([C@@]1(Cl)[C@]35Cl)[C@@]24Cl,non-mutagenic
19246-18-5,NC(CS)C(=O)NCC(=O)O,mutagenic
104671-59-2,CNC(=O)ONC(=O)C,mutagenic
578-46-1,Cc1ccc(c(N)c1)[N+](=O)[O-],non-mutagenic
78400-41-6,Cc1ccc2cc3c4ccccc4C5NC5c3c6CCc1c26,mutagenic
394-70-7,Fc1ccnc2ccccc12,mutagenic
479-50-5,CCN(CC)CCNc1ccc(C)c2Sc3ccccc3C(=O)c12,mutagenic
576-26-1,Cc1cccc(C)c1O,non-mutagenic
109-87-5,COCOC,non-mutagenic
145531-23-3,NCCCS(=O)(=O)Nc1ccc(Nc2c3ccc(cc3nc4cc(ccc24)N=N#N)N=N#N)cc1,mutagenic
105427-04-1,CCOC(=O)CNC(=O)C(C)(C)Br,non-mutagenic
123-33-1,Oc1ccc(O)nn1,non-mutagenic
87-59-2,Cc1cccc(N)c1C,mutagenic
577-71-9,Oc1ccc(c(c1)[N+](=O)[O-])[N+](=O)[O-],mutagenic
529-19-1,Cc1ccccc1C#N,non-mutagenic
140-67-0,COc1ccc(CC=C)cc1,non-mutagenic
54083-22-6,COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)\C(=N\NC(=O)c6ccccc6)\C,mutagenic
3778-76-5,CCOC(=O)NNc1nncc2ccccc12,mutagenic
91182-09-1,CCCCNC(=O)\C=C\c1oc(cc1)[N+](=O)[O-],mutagenic
427-51-0,CC(=O)OC1(CCC2C3C=C(Cl)C4=CC(=O)C5CC5C4(C)C3CCC12C)C(=O)C,non-mutagenic
56-81-5,OCC(O)CO,non-mutagenic
99803-60-8,COP(=S)(OC)Oc1ccc(N=O)c(C)c1,mutagenic
128233-25-0,CN1C=CN(COCCC(C)(C)[N+](=O)[O-])C1\C=N\O,non-mutagenic
86711-50-4,O=C(C1OC1c2ccc(Oc3ccccc3)cc2)c4ccccc4,non-mutagenic
7203-90-9,CN(C)N=Nc1ccc(Cl)cc1,mutagenic
112-95-8,CCCCCCCCCCCCCCCCCCCC,non-mutagenic
118-91-2,OC(=O)c1ccccc1Cl,non-mutagenic
85815-37-8,CN(C)C(=O)c1nc(CNC(=O)CN)n(n1)c2ccc(Cl)cc2C(=O)c3ccccc3Cl,non-mutagenic
115091-98-0,CCCC\C=C\C=C\C=C\C=C\C=C\OC,mutagenic
1912-32-9,CCCCOS(=O)(=O)C,mutagenic
3807-77-0,[O-][N+](=O)c1ccc2cccc3CCc1c23,mutagenic
142-04-1,Nc1ccccc1,non-mutagenic
69658-17-9,Oc1ccc2C(=O)c3cccc4c(O)ccc(c2c1)c34,mutagenic
84-58-2,ClC1=C(Cl)C(=O)C(=C(C#N)C1=O)C#N,non-mutagenic
51-79-6,CCOC(=O)N,mutagenic
17886-25-8,C(N1CCN=N1)c2ccccc2,mutagenic
131431-60-2,CN1C=CN(CCS(=O)(=O)C)C1\C=N\O,non-mutagenic
320-67-2,NC1=NC(=O)N(C=N1)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O,mutagenic
3252-43-5,BrC(Br)C#N,mutagenic
106671-89-0,[O-][N+](=O)c1c(nc2sccn12)c3ccc(Cl)cc3,mutagenic
51940-44-4,CCN1C=C(C(=O)O)C(=O)c2cnc(nc12)N3CCNCC3,mutagenic
932-83-2,O=NN1CCCCCC1,mutagenic
30269-02-4,Nc1ccc2ccc3ccc(c4ccc1c2c34)[N+](=O)[O-],mutagenic
98-56-6,FC(F)(F)c1ccc(Cl)cc1,non-mutagenic
78-98-8,CC(=O)C=O,mutagenic
611-06-3,[O-][N+](=O)c1ccc(Cl)cc1Cl,mutagenic
3087-16-9,CN(C)c1ccc(cc1)C(=C2C=CC(=[N+](C)C)C=C2)c3c(O)c(cc4cc(ccc34)S(=O)(=O)O)S(=O)(=O)O,non-mutagenic
134998-78-0,CC(=O)Oc1c(OC(=O)C)c2c(ccc3c4ccccc4c5cccc1c5c23)[N+](=O)[O-],mutagenic
123-01-3,CCCCCCCCCCCCc1ccccc1,non-mutagenic
56681-55-1,CCc1cccc(CC)c1N(COC)C(=O)CO,non-mutagenic
103667-52-3,CC1CC2=C(C3C(C=C(C)C2=O)C(CCC3=C)C(=C)C)C1=O,non-mutagenic
121-73-3,[O-][N+](=O)c1cccc(Cl)c1,non-mutagenic
501-30-4,OCC1=CC(=O)C(=CO1)O,mutagenic
106-48-9,Oc1ccc(Cl)cc1,non-mutagenic
7570-86-7,O=C([C@H]1O[C@@H]1c2ccccc2)c3ccccc3,mutagenic
823-86-9,ONc1ccc(Cl)cc1,non-mutagenic
1982-49-6,C[C@@H]1CCCC[C@H]1NC(=O)Nc2ccccc2,non-mutagenic
74992-96-4,Clc1cccc2c1oc3ccccc23,non-mutagenic
20098-48-0,[O-][N+](=O)c1cc(Cl)c(Cl)c(Cl)c1,mutagenic
363-49-5,CC(=O)Nc1ccc2c(Cc3cc(O)ccc23)c1,mutagenic
37319-17-8,COC1COC(COCC2COC(OC)C(OS(=O)(=O)O)C2OS(=O)(=O)O)C(OS(=O)(=O)O)C1OS(=O)(=O)O,non-mutagenic
117333-21-8,OC(Cc1cn(N=O)c2ccccc12)C(=O)O,mutagenic
10605-21-7,COC(=O)Nc1nc2ccccc2[nH]1,mutagenic
103393-71-1,ClCc1cccc2c3cccc4cccc(c12)c34,mutagenic
621-64-7,CCCN(CCC)N=O,mutagenic