drug
string | solution
int64 | fgs_names
list | num_matches
int64 | matches
list | problem
string | id
int64 |
|---|---|---|---|---|---|---|
O=[N+]([O-])c1c2c(c3ccc4cccc5ccc1c3c45)CCCC2
| 1
|
[
"Hydroxylamine/Nitro/Nitroso/Hydrazine"
] | 1
|
[
"aN[O,N]"
] |
Is mutagenicity detected in the Ames test for the following molecule? SMILES: O=[N+]([O-])c1c2c(c3ccc4cccc5ccc1c3c45)CCCC2
| 0
|
O=c1c2ccccc2c(=O)c2c1ccc1c2[nH]c2c3c(=O)c4ccccc4c(=O)c3c3[nH]c4c(ccc5c(=O)c6ccccc6c(=O)c54)c3c12
| 0
|
[
"Aromatic nitrogen"
] | 1
|
[
"[n]"
] |
Is mutagenicity detected in the Ames test for the following molecule? SMILES: O=c1c2ccccc2c(=O)c2c1ccc1c2[nH]c2c3c(=O)c4ccccc4c(=O)c3c3[nH]c4c(ccc5c(=O)c6ccccc6c(=O)c54)c3c12
| 1
|
[N-]=[N+]=CC(=O)NCC(=O)NN
| 1
|
[] | 0
| null |
The SMILES string is: [N-]=[N+]=CC(=O)NCC(=O)NN. According to Ames test predictions, is this compound mutagenic?
| 2
|
[N-]=[N+]=C1C=NC(=O)NC1=O
| 1
|
[] | 0
| null |
Would the compound with SMILES [N-]=[N+]=C1C=NC(=O)NC1=O be considered mutagenic according to the results of the Ames assay?
| 3
|
CCCCN(CC(O)C1=CC(=[N+]=[N-])C(=O)C=C1)N=O
| 1
|
[] | 0
| null |
For the molecule represented by the SMILES: CCCCN(CC(O)C1=CC(=[N+]=[N-])C(=O)C=C1)N=O, does the Ames test suggest mutagenic activity?
| 4
|
[N-]=[N+]=CC(=O)OCC(N)C(=O)O
| 1
|
[] | 0
| null |
The SMILES string is: [N-]=[N+]=CC(=O)OCC(N)C(=O)O. According to Ames test predictions, is this compound mutagenic?
| 5
|
CC(=O)OC1(C(C)=O)CCC2C3C=C(Cl)C4=CC(=O)OCC4(C)C3CCC21C
| 0
|
[] | 0
| null |
Is mutagenicity detected in the Ames test for the following molecule? SMILES: CC(=O)OC1(C(C)=O)CCC2C3C=C(Cl)C4=CC(=O)OCC4(C)C3CCC21C
| 6
|
Nc1nc(N)nc(N)n1
| 0
|
[
"Amine",
"Aromatic nitrogen"
] | 2
|
[
"a[NH2]",
"[n]"
] |
Is mutagenicity detected in the Ames test for the following molecule? SMILES: Nc1nc(N)nc(N)n1
| 7
|
Cc1ccc(N=Nc2c(O)ccc3ccccc23)c([N+](=O)[O-])c1
| 1
|
[
"Hydroxylamine/Nitro/Nitroso/Hydrazine",
"Hydroxyl",
"Methyl"
] | 3
|
[
"aN[O,N]",
"a[OH]",
"a[CH3]"
] |
Given this compound (SMILES: Cc1ccc(N=Nc2c(O)ccc3ccccc23)c([N+](=O)[O-])c1), would it be classified as mutagenic in the Ames test?
| 8
|
CC(C)CC(=O)Nc1snc2ccccc12
| 0
|
[
"Aromatic nitrogen"
] | 1
|
[
"[n]"
] |
Given this compound (SMILES: CC(C)CC(=O)Nc1snc2ccccc12), would it be classified as mutagenic in the Ames test?
| 9
|
Cc1cccc([N+](=O)[O-])c1C
| 1
|
[
"Hydroxylamine/Nitro/Nitroso/Hydrazine",
"Methyl"
] | 2
|
[
"aN[O,N]",
"a[CH3]"
] |
Given this compound (SMILES: Cc1cccc([N+](=O)[O-])c1C), would it be classified as mutagenic in the Ames test?
| 10
|
CCC[N+](=O)[O-]
| 0
|
[] | 0
| null |
Is mutagenicity detected in the Ames test for the following molecule? SMILES: CCC[N+](=O)[O-]
| 11
|
O=C(O)c1cc([N+](=O)[O-])cc2cccnc12
| 1
|
[
"Hydroxylamine/Nitro/Nitroso/Hydrazine",
"Aromatic nitrogen"
] | 2
|
[
"aN[O,N]",
"[n]"
] |
Is mutagenicity detected in the Ames test for the following molecule? SMILES: O=C(O)c1cc([N+](=O)[O-])cc2cccnc12
| 12
|
NC(=O)Nc1nc2ccccc2[nH]1
| 1
|
[
"Aromatic nitrogen"
] | 1
|
[
"[n]"
] |
Is mutagenicity detected in the Ames test for the following molecule? SMILES: NC(=O)Nc1nc2ccccc2[nH]1
| 13
|
Nc1ccc2c(c1)oc1ccccc12
| 1
|
[
"Amine"
] | 1
|
[
"a[NH2]"
] |
Would the compound with SMILES Nc1ccc2c(c1)oc1ccccc12 be considered mutagenic according to the results of the Ames assay?
| 14
|
Cc1ccc2ccc3ccc(C)cc3c2c1
| 1
|
[
"Methyl"
] | 1
|
[
"a[CH3]"
] |
Is mutagenicity detected in the Ames test for the following molecule? SMILES: Cc1ccc2ccc3ccc(C)cc3c2c1
| 15
|
Cc1cc2c(nc(N)n2C)c2ncc(-c3ccccc3)nc12
| 1
|
[
"Amine",
"Methyl",
"Biphenyl-like",
"Aromatic nitrogen"
] | 4
|
[
"a[NH2]",
"a[CH3]",
"a-a",
"[n]"
] |
For the molecule represented by the SMILES: Cc1cc2c(nc(N)n2C)c2ncc(-c3ccccc3)nc12, does the Ames test suggest mutagenic activity?
| 16
|
NNc1nnc(NN)c2ccccc12
| 1
|
[
"Hydroxylamine/Nitro/Nitroso/Hydrazine",
"Aromatic nitrogen"
] | 2
|
[
"aN[O,N]",
"[n]"
] |
Would the compound with SMILES NNc1nnc(NN)c2ccccc12 be considered mutagenic according to the results of the Ames assay?
| 17
|
C=CC(=O)NCNC(=O)C=C
| 1
|
[] | 0
| null |
Would the compound with SMILES C=CC(=O)NCNC(=O)C=C be considered mutagenic according to the results of the Ames assay?
| 18
|
OCc1cc2c3c(cccc3c1)-c1ccccc1-2
| 0
|
[
"Biphenyl-like"
] | 1
|
[
"a-a"
] |
Is mutagenicity detected in the Ames test for the following molecule? SMILES: OCc1cc2c3c(cccc3c1)-c1ccccc1-2
| 19
|
Cc1cc(O)c2c(c1)C(=O)C13C4C(=O)C56C(=O)c7c(O)cc(C)cc7C(=O)C57C(C(=O)C16C2=O)C(C)C3C7C4C
| 0
|
[
"Hydroxyl",
"Methyl"
] | 2
|
[
"a[OH]",
"a[CH3]"
] |
Is mutagenicity detected in the Ames test for the following molecule? SMILES: Cc1cc(O)c2c(c1)C(=O)C13C4C(=O)C56C(=O)c7c(O)cc(C)cc7C(=O)C57C(C(=O)C16C2=O)C(C)C3C7C4C
| 20
|
Cc1nc(N)nc(N)n1
| 0
|
[
"Amine",
"Methyl",
"Aromatic nitrogen"
] | 3
|
[
"a[NH2]",
"a[CH3]",
"[n]"
] |
Given this compound (SMILES: Cc1nc(N)nc(N)n1), would it be classified as mutagenic in the Ames test?
| 21
|
CCNc1nc(N)nc(Cl)n1
| 0
|
[
"Amine",
"N-ethylamine",
"Aromatic nitrogen"
] | 3
|
[
"a[NH2]",
"a[NH][CH2][CH3]",
"[n]"
] |
Is mutagenicity detected in the Ames test for the following molecule? SMILES: CCNc1nc(N)nc(Cl)n1
| 22
|
CC(=O)NC(CSC(Cl)=C(Cl)Cl)C(=O)O
| 1
|
[] | 0
| null |
Is mutagenicity detected in the Ames test for the following molecule? SMILES: CC(=O)NC(CSC(Cl)=C(Cl)Cl)C(=O)O
| 23
|
CC(C)[C@@H]1CC[C@H](C)[C@@H]2CC[C@H](C)C[C@@H]12
| 1
|
[] | 0
| null |
The SMILES string is: CC(C)[C@@H]1CC[C@H](C)[C@@H]2CC[C@H](C)C[C@@H]12. According to Ames test predictions, is this compound mutagenic?
| 24
|
CCN=NNCC
| 1
|
[] | 0
| null |
Given this compound (SMILES: CCN=NNCC), would it be classified as mutagenic in the Ames test?
| 25
|
O=[N+]([O-])c1ccc2c(c1)-c1cccc3cccc-2c13
| 1
|
[
"Hydroxylamine/Nitro/Nitroso/Hydrazine",
"Biphenyl-like"
] | 2
|
[
"aN[O,N]",
"a-a"
] |
Given this compound (SMILES: O=[N+]([O-])c1ccc2c(c1)-c1cccc3cccc-2c13), would it be classified as mutagenic in the Ames test?
| 26
|
c1ccc(-c2ccc(CC[C@H]3CO3)cc2)cc1
| 1
|
[
"Biphenyl-like"
] | 1
|
[
"a-a"
] |
For the molecule represented by the SMILES: c1ccc(-c2ccc(CC[C@H]3CO3)cc2)cc1, does the Ames test suggest mutagenic activity?
| 27
|
Oc1cc2c3ccccc3ccc2c2ccccc12
| 1
|
[
"Hydroxyl"
] | 1
|
[
"a[OH]"
] |
For the molecule represented by the SMILES: Oc1cc2c3ccccc3ccc2c2ccccc12, does the Ames test suggest mutagenic activity?
| 28
|
Oc1ccc2ccccc2c1N=Nc1ccccc1
| 1
|
[
"Hydroxyl"
] | 1
|
[
"a[OH]"
] |
Given this compound (SMILES: Oc1ccc2ccccc2c1N=Nc1ccccc1), would it be classified as mutagenic in the Ames test?
| 29
|
CCOC(=O)C(C)Br
| 1
|
[] | 0
| null |
The SMILES string is: CCOC(=O)C(C)Br. According to Ames test predictions, is this compound mutagenic?
| 30
|
COC1(OC2CCC3C4CCC5CC6SC6CC5(C)C4CCC23C)CCCC1
| 0
|
[] | 0
| null |
Would the compound with SMILES COC1(OC2CCC3C4CCC5CC6SC6CC5(C)C4CCC23C)CCCC1 be considered mutagenic according to the results of the Ames assay?
| 31
|
CC(=C\C1=CCOC1=O)/C=C(C)/C=C/C=C(\C)C(=O)C12OC1C(O)(CCO)NC2=O
| 1
|
[] | 0
| null |
Given this compound (SMILES: CC(=C\C1=CCOC1=O)/C=C(C)/C=C/C=C(\C)C(=O)C12OC1C(O)(CCO)NC2=O), would it be classified as mutagenic in the Ames test?
| 32
|
CCO[P@](=S)(CC)Sc1ccccc1
| 0
|
[] | 0
| null |
Is mutagenicity detected in the Ames test for the following molecule? SMILES: CCO[P@](=S)(CC)Sc1ccccc1
| 33
|
Nc1ccc([N+](=O)[O-])c(N)c1
| 1
|
[
"Amine",
"Hydroxylamine/Nitro/Nitroso/Hydrazine"
] | 2
|
[
"a[NH2]",
"aN[O,N]"
] |
The SMILES string is: Nc1ccc([N+](=O)[O-])c(N)c1. According to Ames test predictions, is this compound mutagenic?
| 34
|
CCSCCSP(=O)(OC)OC
| 0
|
[] | 0
| null |
Would the compound with SMILES CCSCCSP(=O)(OC)OC be considered mutagenic according to the results of the Ames assay?
| 35
|
Brc1ccccc1
| 0
|
[] | 0
| null |
Given this compound (SMILES: Brc1ccccc1), would it be classified as mutagenic in the Ames test?
| 36
|
Cc1cc(N)c(S(=O)(=O)O)cc1Cl
| 0
|
[
"Amine",
"Sulfuryl",
"Methyl"
] | 3
|
[
"a[NH2]",
"aS(=O)(=O)*",
"a[CH3]"
] |
For the molecule represented by the SMILES: Cc1cc(N)c(S(=O)(=O)O)cc1Cl, does the Ames test suggest mutagenic activity?
| 37
|
Oc1ccc2cc(SSc3ccc4cc(O)ccc4c3)ccc2c1
| 0
|
[
"Hydroxyl"
] | 1
|
[
"a[OH]"
] |
The SMILES string is: Oc1ccc2cc(SSc3ccc4cc(O)ccc4c3)ccc2c1. According to Ames test predictions, is this compound mutagenic?
| 38
|
CN(C)CCNC(=O)c1cccc2c1C(=O)c1ccccc1C2=O
| 1
|
[] | 0
| null |
For the molecule represented by the SMILES: CN(C)CCNC(=O)c1cccc2c1C(=O)c1ccccc1C2=O, does the Ames test suggest mutagenic activity?
| 39
|
Cc1cc(O)c2c(c1)C(=O)c1c(c(O)cc(O)c1-c1c(O)cc(O)c3c1C(=O)c1cc(C)cc(O)c1C3=O)C2=O
| 0
|
[
"Hydroxyl",
"Methyl",
"Biphenyl-like"
] | 3
|
[
"a[OH]",
"a[CH3]",
"a-a"
] |
Is mutagenicity detected in the Ames test for the following molecule? SMILES: Cc1cc(O)c2c(c1)C(=O)c1c(c(O)cc(O)c1-c1c(O)cc(O)c3c1C(=O)c1cc(C)cc(O)c1C3=O)C2=O
| 40
|
COCCl
| 0
|
[] | 0
| null |
Given this compound (SMILES: COCCl), would it be classified as mutagenic in the Ames test?
| 41
|
O=NN1CCOCC1
| 1
|
[] | 0
| null |
Is mutagenicity detected in the Ames test for the following molecule? SMILES: O=NN1CCOCC1
| 42
|
Nc1ccc(Nc2ccccc2)cc1
| 0
|
[
"Amine"
] | 1
|
[
"a[NH2]"
] |
Is mutagenicity detected in the Ames test for the following molecule? SMILES: Nc1ccc(Nc2ccccc2)cc1
| 43
|
C=C(C)C(=O)OCCCCC
| 0
|
[] | 0
| null |
The SMILES string is: C=C(C)C(=O)OCCCCC. According to Ames test predictions, is this compound mutagenic?
| 44
|
O=C(O)c1ccccc1
| 0
|
[] | 0
| null |
The SMILES string is: O=C(O)c1ccccc1. According to Ames test predictions, is this compound mutagenic?
| 45
|
c1cc2c3c(c1)ccc1cccc(c13)C2
| 1
|
[] | 0
| null |
Is mutagenicity detected in the Ames test for the following molecule? SMILES: c1cc2c3c(c1)ccc1cccc(c13)C2
| 46
|
Fc1ccccc1-c1ccccc1
| 0
|
[
"Biphenyl-like"
] | 1
|
[
"a-a"
] |
Is mutagenicity detected in the Ames test for the following molecule? SMILES: Fc1ccccc1-c1ccccc1
| 47
|
Clc1ccc(-c2ccc(Cl)c(Cl)c2Cl)cc1Cl
| 0
|
[
"Biphenyl-like"
] | 1
|
[
"a-a"
] |
Is mutagenicity detected in the Ames test for the following molecule? SMILES: Clc1ccc(-c2ccc(Cl)c(Cl)c2Cl)cc1Cl
| 48
|
CC1COCc2cc3c(cc21)C(C)(C)C(C)C3(C)C
| 0
|
[] | 0
| null |
The SMILES string is: CC1COCc2cc3c(cc21)C(C)(C)C(C)C3(C)C. According to Ames test predictions, is this compound mutagenic?
| 49
|
Cc1cccc(Nc2cc(Cl)nc(SCC(=O)O)n2)c1C
| 0
|
[
"Methyl",
"Aromatic nitrogen"
] | 2
|
[
"a[CH3]",
"[n]"
] |
Would the compound with SMILES Cc1cccc(Nc2cc(Cl)nc(SCC(=O)O)n2)c1C be considered mutagenic according to the results of the Ames assay?
| 50
|
Nc1ccc2ccccc2c1N=Nc1ccc([N+](=O)[O-])cc1
| 1
|
[
"Amine",
"Hydroxylamine/Nitro/Nitroso/Hydrazine"
] | 2
|
[
"a[NH2]",
"aN[O,N]"
] |
The SMILES string is: Nc1ccc2ccccc2c1N=Nc1ccc([N+](=O)[O-])cc1. According to Ames test predictions, is this compound mutagenic?
| 51
|
Oc1ccc(Cc2ccccc2O)cc1
| 0
|
[
"Hydroxyl"
] | 1
|
[
"a[OH]"
] |
Is mutagenicity detected in the Ames test for the following molecule? SMILES: Oc1ccc(Cc2ccccc2O)cc1
| 52
|
CC(=O)N(O)c1ccc(Oc2ccccc2)cc1
| 1
|
[
"Hydroxylamine/Nitro/Nitroso/Hydrazine"
] | 1
|
[
"aN[O,N]"
] |
Is mutagenicity detected in the Ames test for the following molecule? SMILES: CC(=O)N(O)c1ccc(Oc2ccccc2)cc1
| 53
|
CC(C)(c1ccc(OP(O)O)cc1)c1ccc(OP(O)O)cc1
| 0
|
[] | 0
| null |
Would the compound with SMILES CC(C)(c1ccc(OP(O)O)cc1)c1ccc(OP(O)O)cc1 be considered mutagenic according to the results of the Ames assay?
| 54
|
CCCCCCCC(=O)Cl
| 1
|
[] | 0
| null |
For the molecule represented by the SMILES: CCCCCCCC(=O)Cl, does the Ames test suggest mutagenic activity?
| 55
|
CCNC(=O)Nc1ncc([N+](=O)[O-])s1
| 1
|
[
"Hydroxylamine/Nitro/Nitroso/Hydrazine",
"Aromatic nitrogen"
] | 2
|
[
"aN[O,N]",
"[n]"
] |
For the molecule represented by the SMILES: CCNC(=O)Nc1ncc([N+](=O)[O-])s1, does the Ames test suggest mutagenic activity?
| 56
|
COc1ccc(O)c2c(=O)c3c(OC)cc4c(c3oc12)[C@@H]1C=CO[C@H]1O4
| 1
|
[
"Hydroxyl",
"Methoxyl"
] | 2
|
[
"a[OH]",
"aO[CH3]"
] |
For the molecule represented by the SMILES: COc1ccc(O)c2c(=O)c3c(OC)cc4c(c3oc12)[C@@H]1C=CO[C@H]1O4, does the Ames test suggest mutagenic activity?
| 57
|
O=[N+]([O-])c1cc2c(cc1Cl)Oc1cc(Cl)c(Cl)cc1O2
| 1
|
[
"Hydroxylamine/Nitro/Nitroso/Hydrazine"
] | 1
|
[
"aN[O,N]"
] |
The SMILES string is: O=[N+]([O-])c1cc2c(cc1Cl)Oc1cc(Cl)c(Cl)cc1O2. According to Ames test predictions, is this compound mutagenic?
| 58
|
O=C1C=C[C@]2(O)c3c(ccc(O)c31)-c1ccc(O)c3c1[C@H]2[C@H]1O[C@H]1C3=O
| 1
|
[
"Hydroxyl",
"Biphenyl-like"
] | 2
|
[
"a[OH]",
"a-a"
] |
For the molecule represented by the SMILES: O=C1C=C[C@]2(O)c3c(ccc(O)c31)-c1ccc(O)c3c1[C@H]2[C@H]1O[C@H]1C3=O, does the Ames test suggest mutagenic activity?
| 59
|
COC(N)=O
| 0
|
[] | 0
| null |
Given this compound (SMILES: COC(N)=O), would it be classified as mutagenic in the Ames test?
| 60
|
Cc1c2ccccc2c(CBr)c2ccccc12
| 1
|
[
"Methyl"
] | 1
|
[
"a[CH3]"
] |
Would the compound with SMILES Cc1c2ccccc2c(CBr)c2ccccc12 be considered mutagenic according to the results of the Ames assay?
| 61
|
C=CC(=O)OC
| 0
|
[] | 0
| null |
The SMILES string is: C=CC(=O)OC. According to Ames test predictions, is this compound mutagenic?
| 62
|
OC1C=Cc2c(cc3ccc4cccc5ccc2c3c45)C1
| 1
|
[] | 0
| null |
Would the compound with SMILES OC1C=Cc2c(cc3ccc4cccc5ccc2c3c45)C1 be considered mutagenic according to the results of the Ames assay?
| 63
|
Cc1ccc(N=Nc2c(O)c(C(=O)O)cc3ccccc23)c(S(=O)(=O)O)c1
| 0
|
[
"Sulfuryl",
"Hydroxyl",
"Methyl"
] | 3
|
[
"aS(=O)(=O)*",
"a[OH]",
"a[CH3]"
] |
Is mutagenicity detected in the Ames test for the following molecule? SMILES: Cc1ccc(N=Nc2c(O)c(C(=O)O)cc3ccccc23)c(S(=O)(=O)O)c1
| 64
|
CCCCN(COC(C)=O)N=O
| 1
|
[] | 0
| null |
Is mutagenicity detected in the Ames test for the following molecule? SMILES: CCCCN(COC(C)=O)N=O
| 65
|
Nc1c(O)cc(Cc2cc(Cl)c(N)c(OS(=O)(=O)O)c2)cc1Cl
| 0
|
[
"Amine",
"Hydroxyl"
] | 2
|
[
"a[NH2]",
"a[OH]"
] |
For the molecule represented by the SMILES: Nc1c(O)cc(Cc2cc(Cl)c(N)c(OS(=O)(=O)O)c2)cc1Cl, does the Ames test suggest mutagenic activity?
| 66
|
C1CSCCO1
| 0
|
[] | 0
| null |
For the molecule represented by the SMILES: C1CSCCO1, does the Ames test suggest mutagenic activity?
| 67
|
Cc1ccccc1N
| 1
|
[
"Amine",
"Methyl"
] | 2
|
[
"a[NH2]",
"a[CH3]"
] |
Given this compound (SMILES: Cc1ccccc1N), would it be classified as mutagenic in the Ames test?
| 68
|
O=C1c2ccccc2-c2ccccc21
| 0
|
[
"Biphenyl-like"
] | 1
|
[
"a-a"
] |
Would the compound with SMILES O=C1c2ccccc2-c2ccccc21 be considered mutagenic according to the results of the Ames assay?
| 69
|
CS(=O)(=O)Nc1ccc(Nc2c3ccc(N=[N+]=[N-])cc3nc3ccc(N=[N+]=[N-])cc23)cc1
| 0
|
[
"Aromatic nitrogen"
] | 1
|
[
"[n]"
] |
For the molecule represented by the SMILES: CS(=O)(=O)Nc1ccc(Nc2c3ccc(N=[N+]=[N-])cc3nc3ccc(N=[N+]=[N-])cc23)cc1, does the Ames test suggest mutagenic activity?
| 70
|
C/C=C(\Cl)C1=CC(=O)C23CC2C(C)(C)OC3(O)C1=O
| 1
|
[] | 0
| null |
For the molecule represented by the SMILES: C/C=C(\Cl)C1=CC(=O)C23CC2C(C)(C)OC3(O)C1=O, does the Ames test suggest mutagenic activity?
| 71
|
Nc1ccccc1SCCSc1ccccc1N
| 1
|
[
"Amine"
] | 1
|
[
"a[NH2]"
] |
Would the compound with SMILES Nc1ccccc1SCCSc1ccccc1N be considered mutagenic according to the results of the Ames assay?
| 72
|
O=C(NO)c1ccccc1O
| 1
|
[
"Hydroxyl"
] | 1
|
[
"a[OH]"
] |
Given this compound (SMILES: O=C(NO)c1ccccc1O), would it be classified as mutagenic in the Ames test?
| 73
|
Nc1c(O)cccc1[N+](=O)[O-]
| 0
|
[
"Amine",
"Hydroxylamine/Nitro/Nitroso/Hydrazine",
"Hydroxyl"
] | 3
|
[
"a[NH2]",
"aN[O,N]",
"a[OH]"
] |
Is mutagenicity detected in the Ames test for the following molecule? SMILES: Nc1c(O)cccc1[N+](=O)[O-]
| 74
|
CC(C)(C)c1ccc(/C=C/c2ccc(N)cc2)cc1
| 0
|
[
"Amine",
"Stilbene-like"
] | 2
|
[
"a[NH2]",
"a-C=C-a"
] |
Given this compound (SMILES: CC(C)(C)c1ccc(/C=C/c2ccc(N)cc2)cc1), would it be classified as mutagenic in the Ames test?
| 75
|
O=C(O)C[C@H](C(=O)O)[C@@H](CC(=O)O)C(=O)O
| 1
|
[] | 0
| null |
Given this compound (SMILES: O=C(O)C[C@H](C(=O)O)[C@@H](CC(=O)O)C(=O)O), would it be classified as mutagenic in the Ames test?
| 76
|
c1cc2c3c(cccc3c1)CC2
| 0
|
[] | 0
| null |
The SMILES string is: c1cc2c3c(cccc3c1)CC2. According to Ames test predictions, is this compound mutagenic?
| 77
|
CN(C)CCCNc1c2ccccc2nc2c(N(CCO)CCO)ccc([N+](=O)[O-])c12
| 1
|
[
"Hydroxylamine/Nitro/Nitroso/Hydrazine",
"Aromatic nitrogen"
] | 2
|
[
"aN[O,N]",
"[n]"
] |
Is mutagenicity detected in the Ames test for the following molecule? SMILES: CN(C)CCCNc1c2ccccc2nc2c(N(CCO)CCO)ccc([N+](=O)[O-])c12
| 78
|
CCCCOc1ccc(N=O)cc1
| 1
|
[] | 0
| null |
Given this compound (SMILES: CCCCOc1ccc(N=O)cc1), would it be classified as mutagenic in the Ames test?
| 79
|
Cc1cc(S(=O)(=O)O)c(N)cc1Cl
| 1
|
[
"Amine",
"Sulfuryl",
"Methyl"
] | 3
|
[
"a[NH2]",
"aS(=O)(=O)*",
"a[CH3]"
] |
The SMILES string is: Cc1cc(S(=O)(=O)O)c(N)cc1Cl. According to Ames test predictions, is this compound mutagenic?
| 80
|
COC(=O)C1=CCCN(C)C1
| 1
|
[] | 0
| null |
For the molecule represented by the SMILES: COC(=O)C1=CCCN(C)C1, does the Ames test suggest mutagenic activity?
| 81
|
CNC(=O)ON
| 1
|
[] | 0
| null |
Given this compound (SMILES: CNC(=O)ON), would it be classified as mutagenic in the Ames test?
| 82
|
C=CC(=O)O
| 0
|
[] | 0
| null |
For the molecule represented by the SMILES: C=CC(=O)O, does the Ames test suggest mutagenic activity?
| 83
|
O=C(O)CC(=O)O
| 0
|
[] | 0
| null |
Would the compound with SMILES O=C(O)CC(=O)O be considered mutagenic according to the results of the Ames assay?
| 84
|
CCCCC=O
| 0
|
[] | 0
| null |
The SMILES string is: CCCCC=O. According to Ames test predictions, is this compound mutagenic?
| 85
|
O=Nc1ccccc1-c1ccccc1
| 1
|
[
"Biphenyl-like"
] | 1
|
[
"a-a"
] |
Is mutagenicity detected in the Ames test for the following molecule? SMILES: O=Nc1ccccc1-c1ccccc1
| 86
|
CSC(C)(C)C(=O)NC(CS)C(=O)O
| 0
|
[] | 0
| null |
Would the compound with SMILES CSC(C)(C)C(=O)NC(CS)C(=O)O be considered mutagenic according to the results of the Ames assay?
| 87
|
C[n+]1ccc(-c2cc[n+](C)cc2)cc1
| 0
|
[
"Methyl",
"Biphenyl-like",
"Aromatic nitrogen"
] | 3
|
[
"a[CH3]",
"a-a",
"[n]"
] |
Given this compound (SMILES: C[n+]1ccc(-c2cc[n+](C)cc2)cc1), would it be classified as mutagenic in the Ames test?
| 88
|
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)O
| 0
|
[
"Hydroxylamine/Nitro/Nitroso/Hydrazine",
"Sulfuryl",
"Methyl"
] | 3
|
[
"aN[O,N]",
"aS(=O)(=O)*",
"a[CH3]"
] |
Given this compound (SMILES: Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)O), would it be classified as mutagenic in the Ames test?
| 89
|
O=[N+]([O-])c1cccc(S(=O)(=O)O)c1
| 0
|
[
"Hydroxylamine/Nitro/Nitroso/Hydrazine",
"Sulfuryl"
] | 2
|
[
"aN[O,N]",
"aS(=O)(=O)*"
] |
For the molecule represented by the SMILES: O=[N+]([O-])c1cccc(S(=O)(=O)O)c1, does the Ames test suggest mutagenic activity?
| 90
|
COc1ccc(O)c(C(C)(C)C)c1
| 0
|
[
"Hydroxyl",
"Methoxyl"
] | 2
|
[
"a[OH]",
"aO[CH3]"
] |
The SMILES string is: COc1ccc(O)c(C(C)(C)C)c1. According to Ames test predictions, is this compound mutagenic?
| 91
|
O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1CCl
| 1
|
[
"Hydroxylamine/Nitro/Nitroso/Hydrazine"
] | 1
|
[
"aN[O,N]"
] |
The SMILES string is: O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1CCl. According to Ames test predictions, is this compound mutagenic?
| 92
|
CC(=O)c1cc2c(cc1C)C(C)(C)C(C)CC2(C)C
| 0
|
[
"Methyl"
] | 1
|
[
"a[CH3]"
] |
Is mutagenicity detected in the Ames test for the following molecule? SMILES: CC(=O)c1cc2c(cc1C)C(C)(C)C(C)CC2(C)C
| 93
|
OCc1cc2ccc3cccc4ccc(c1)c2c34
| 1
|
[] | 0
| null |
Is mutagenicity detected in the Ames test for the following molecule? SMILES: OCc1cc2ccc3cccc4ccc(c1)c2c34
| 94
|
CCCCON(OC(C)=O)C(=O)c1ccc(-c2ccccc2)cc1
| 1
|
[
"Biphenyl-like"
] | 1
|
[
"a-a"
] |
Would the compound with SMILES CCCCON(OC(C)=O)C(=O)c1ccc(-c2ccccc2)cc1 be considered mutagenic according to the results of the Ames assay?
| 95
|
C#C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=C(CCC(=O)C4)[C@H]3CC[C@@]21C
| 0
|
[] | 0
| null |
Is mutagenicity detected in the Ames test for the following molecule? SMILES: C#C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=C(CCC(=O)C4)[C@H]3CC[C@@]21C
| 96
|
N#Cc1ccccc1C#N
| 0
|
[
"Nitrile"
] | 1
|
[
"aC#N"
] |
Is mutagenicity detected in the Ames test for the following molecule? SMILES: N#Cc1ccccc1C#N
| 97
|
CC(=O)Nc1cc(N=[N+]([O-])c2ccc(C)c(NC(C)=O)c2)ccc1C
| 0
|
[
"Hydroxylamine/Nitro/Nitroso/Hydrazine",
"N-acylamine",
"Methyl"
] | 3
|
[
"aN[O,N]",
"a[NH]C(=O)([CH3])",
"a[CH3]"
] |
Given this compound (SMILES: CC(=O)Nc1cc(N=[N+]([O-])c2ccc(C)c(NC(C)=O)c2)ccc1C), would it be classified as mutagenic in the Ames test?
| 98
|
CC1=C(C(=O)OC(C)C)C(c2cccc([N+](=O)[O-])c2)C(=C(O)OC2CN(C(c3ccccc3)c3ccccc3)C2)C(N)=N1
| 0
|
[
"Hydroxylamine/Nitro/Nitroso/Hydrazine"
] | 1
|
[
"aN[O,N]"
] |
The SMILES string is: CC1=C(C(=O)OC(C)C)C(c2cccc([N+](=O)[O-])c2)C(=C(O)OC2CN(C(c3ccccc3)c3ccccc3)C2)C(N)=N1. According to Ames test predictions, is this compound mutagenic?
| 99
|
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