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carcinogens

A carcinogen is any substance, radionuclide, or radiation that promotes carcinogenesis, the formation of cancer. This may be due to the ability to damage the genome or to the disruption of cellular metabolic processes.

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License: CC BY 4.0

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Citation

BibTeX:

@article{Lagunin2009,
doi = {10.1002/qsar.200860192},
url = {https://doi.org/10.1002/qsar.200860192},
year = {2009},
month = jun,
publisher = {Wiley},
volume = {28},
number = {8},
pages = {806--810},
author = {Alexey Lagunin and Dmitrii Filimonov and Alexey Zakharov and Wei Xie
and Ying Huang and Fucheng Zhu and Tianxiang Shen and Jianhua Yao and Vladimir Poroikov},
title = {Computer-Aided Prediction of Rodent Carcinogenicity by PASS and CISOC PSCT},
journal = {QSAR & Combinatorial Science}
@article{Cheng2012,
doi = {10.1021/ci300367a},
url = {https://doi.org/10.1021/ci300367a},
year = {2012},
month = nov,
publisher = {American Chemical Society (ACS)},
volume = {52},
number = {11},
pages = {3099--3105},
author = {Feixiong Cheng and Weihua Li and Yadi Zhou and Jie Shen and Zengrui Wu
and Guixia Liu and Philip W. Lee and Yun Tang},
title = {admetSAR: A Comprehensive Source and Free Tool for Assessment of Chemical ADMET Properties},
journal = {Journal of Chemical Information and Modeling}

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text stringlengths 69 300	input stringlengths 69 300	answer_choices sequencelengths 0 0	correct_output_index float64
The molecule with the SMILES representation of CC(CCl)OC(C)CCl exhibits carcinogenic properties.	The molecule with the SMILES representation of CC(CCl)OC(C)CCl exhibits carcinogenic properties.	[]	null
The molecule with the SMILES representation of Nc1ccc(/N=N/c2ccc(-c3ccc(/N=N/c4c(S(=O)(=O)O)cc5cc(S(=O)(=O)O)c(/N=N/c6ccccc6)c(O)c5c4N)cc3)cc2)c(N)c1 exhibits carcinogenic effects.	The molecule with the SMILES representation of Nc1ccc(/N=N/c2ccc(-c3ccc(/N=N/c4c(S(=O)(=O)O)cc5cc(S(=O)(=O)O)c(/N=N/c6ccccc6)c(O)c5c4N)cc3)cc2)c(N)c1 exhibits carcinogenic effects.	[]	null
The molecule with the SMILES representation of Nc1cc(S(=O)(=O)O)cc2cc(S(=O)(=O)O)c(/N=N/c3ccc(-c4ccc(/N=N/c5c(S(=O)(=O)O)cc6cc(S(=O)(=O)O)cc(N)c6c5O)cc4)cc3)c(O)c12 exhibits carcinogenic properties.	The molecule with the SMILES representation of Nc1cc(S(=O)(=O)O)cc2cc(S(=O)(=O)O)c(/N=N/c3ccc(-c4ccc(/N=N/c5c(S(=O)(=O)O)cc6cc(S(=O)(=O)O)cc(N)c6c5O)cc4)cc3)c(O)c12 exhibits carcinogenic properties.	[]	null
The molecule with the SMILES N=C1C=CC(=C(c2ccc(N)cc2)c2ccc(N)cc2)C=C1 exhibits carcinogenic effects.	The molecule with the SMILES N=C1C=CC(=C(c2ccc(N)cc2)c2ccc(N)cc2)C=C1 exhibits carcinogenic effects.	[]	null
The molecule with the SMILES representation of O=C/C=C\O exhibits carcinogenic properties.	The molecule with the SMILES representation of O=C/C=C\O exhibits carcinogenic properties.	[]	null
The molecule with the SMILES representation of C=CCNN shows carcinogenic effects.	The molecule with the SMILES representation of C=CCNN shows carcinogenic effects.	[]	null
The molecule with the SMILES representation of CCCCNNCCCC shows carcinogenic properties.	The molecule with the SMILES representation of CCCCNNCCCC shows carcinogenic properties.	[]	null
The molecule with the SMILES CCCCNN displays carcinogenic properties.	The molecule with the SMILES CCCCNN displays carcinogenic properties.	[]	null
The molecule with the SMILES representation of CCN(Cc1cccc(S(=O)(=O)O)c1)c1ccc(C(=C2C=CC(=[N+](CC)Cc3cccc(S(=O)(=O)[O-])c3)C=C2)c2ccc(N(C)C)cc2)cc1 displays carcinogenic effects.	The molecule with the SMILES representation of CCN(Cc1cccc(S(=O)(=O)O)c1)c1ccc(C(=C2C=CC(=[N+](CC)Cc3cccc(S(=O)(=O)[O-])c3)C=C2)c2ccc(N(C)C)cc2)cc1 displays carcinogenic effects.	[]	null
The molecule with the SMILES CCN(Cc1cccc(S(=O)(=O)O)c1)c1ccc(C(=C2C=CC(=[N+](CC)Cc3cccc(S(=O)(=O)[O-])c3)C=C2)c2ccccc2)cc1 exhibits carcinogenic effects.	The molecule with the SMILES CCN(Cc1cccc(S(=O)(=O)O)c1)c1ccc(C(=C2C=CC(=[N+](CC)Cc3cccc(S(=O)(=O)[O-])c3)C=C2)c2ccccc2)cc1 exhibits carcinogenic effects.	[]	null
The molecule with the SMILES Cn1cc(C(=O)O)c(=O)c2ccc(/C=C/c3ccc([N+](=O)[O-])o3)nc21 displays carcinogenic effects.	The molecule with the SMILES Cn1cc(C(=O)O)c(=O)c2ccc(/C=C/c3ccc([N+](=O)[O-])o3)nc21 displays carcinogenic effects.	[]	null
The molecule with the SMILES representation of CCCCCNN exhibits carcinogenic properties.	The molecule with the SMILES representation of CCCCCNN exhibits carcinogenic properties.	[]	null
The molecule with the SMILES representation of CCCNN shows carcinogenic effects.	The molecule with the SMILES representation of CCCNN shows carcinogenic effects.	[]	null
The molecule with the SMILES representation of COc1cc(-c2ccc(/N=N/c3c(S(=O)(=O)O)cc4cc(S(=O)(=O)O)cc(N)c4c3O)c(OC)c2)ccc1/N=N/c1c(S(=O)(=O)O)cc2cc(S(=O)(=O)O)cc(N)c2c1O displays carcinogenic properties.	The molecule with the SMILES representation of COc1cc(-c2ccc(/N=N/c3c(S(=O)(=O)O)cc4cc(S(=O)(=O)O)cc(N)c4c3O)c(OC)c2)ccc1/N=N/c1c(S(=O)(=O)O)cc2cc(S(=O)(=O)O)cc(N)c2c1O displays carcinogenic properties.	[]	null
The molecule with the SMILES Nc1cc(S(=O)(=O)O)cc2cc(S(=O)(=O)O)c(/N=N/c3ccc(-c4ccc(/N=N/c5c(S(=O)(=O)O)cc6cc(S(=O)(=O)O)cc(N)c6c5O)c(O)c4)cc3O)c(O)c12 displays carcinogenic effects.	The molecule with the SMILES Nc1cc(S(=O)(=O)O)cc2cc(S(=O)(=O)O)c(/N=N/c3ccc(-c4ccc(/N=N/c5c(S(=O)(=O)O)cc6cc(S(=O)(=O)O)cc(N)c6c5O)c(O)c4)cc3O)c(O)c12 displays carcinogenic effects.	[]	null
The molecule with the SMILES representation of Cc1c(N(C)CS(=O)(=O)O)c(=O)n(-c2ccccc2)n1C displays carcinogenic effects.	The molecule with the SMILES representation of Cc1c(N(C)CS(=O)(=O)O)c(=O)n(-c2ccccc2)n1C displays carcinogenic effects.	[]	null
The molecule with the SMILES CCN(Cc1cccc(S(=O)(=O)O)c1)c1ccc(C(=C2C=CC(=[N+](CC)Cc3cccc(S(=O)(=O)[O-])c3)C=C2)c2ccccc2S(=O)(=O)O)cc1 displays carcinogenic properties.	The molecule with the SMILES CCN(Cc1cccc(S(=O)(=O)O)c1)c1ccc(C(=C2C=CC(=[N+](CC)Cc3cccc(S(=O)(=O)[O-])c3)C=C2)c2ccccc2S(=O)(=O)O)cc1 displays carcinogenic properties.	[]	null
The molecule with the SMILES O=C1/C(=C2\Nc3ccc(S(=O)(=O)O)cc3C2=O)Nc2ccc(S(=O)(=O)O)cc21 exhibits carcinogenic effects.	The molecule with the SMILES O=C1/C(=C2\Nc3ccc(S(=O)(=O)O)cc3C2=O)Nc2ccc(S(=O)(=O)O)cc21 exhibits carcinogenic effects.	[]	null
The molecule with the SMILES CCN(Cc1cccc(S(=O)(=O)O)c1)c1ccc(C(=C2C=CC(=[N+](CC)Cc3cccc(S(=O)(=O)[O-])c3)C=C2)c2ccc(O)cc2S(=O)(=O)O)cc1 shows carcinogenic properties.	The molecule with the SMILES CCN(Cc1cccc(S(=O)(=O)O)c1)c1ccc(C(=C2C=CC(=[N+](CC)Cc3cccc(S(=O)(=O)[O-])c3)C=C2)c2ccc(O)cc2S(=O)(=O)O)cc1 shows carcinogenic properties.	[]	null
The molecule with the SMILES representation of O=NCNc1ncnc2[nH]cnc12 exhibits carcinogenic effects.	The molecule with the SMILES representation of O=NCNc1ncnc2[nH]cnc12 exhibits carcinogenic effects.	[]	null
The molecule with the SMILES CC(O)CN(C)c1ccc(NN)nn1 displays carcinogenic effects.	The molecule with the SMILES CC(O)CN(C)c1ccc(NN)nn1 displays carcinogenic effects.	[]	null
The molecule with the SMILES representation of Cc1ccccc1OCC(O)CNCCn1cc(C)c(=O)[nH]c1=O exhibits carcinogenic effects.	The molecule with the SMILES representation of Cc1ccccc1OCC(O)CNCCn1cc(C)c(=O)[nH]c1=O exhibits carcinogenic effects.	[]	null
The molecule with the SMILES O=S(=O)(O)c1cc(S(=O)(=O)O)c2c(/N=N\c3ccc(S(=O)(=O)O)c4ccccc34)c(O)ccc2c1 exhibits carcinogenic properties.	The molecule with the SMILES O=S(=O)(O)c1cc(S(=O)(=O)O)c2c(/N=N\c3ccc(S(=O)(=O)O)c4ccccc34)c(O)ccc2c1 exhibits carcinogenic properties.	[]	null
The molecule with the SMILES CC(=O)C(/N=N\c1ccc(Cl)cc1Cl)C(=O)Nc1ccc(-c2ccc(NC(=O)C(/N=N/c3ccc(Cl)cc3Cl)C(C)=O)c(C)c2)cc1C shows carcinogenic properties.	The molecule with the SMILES CC(=O)C(/N=N\c1ccc(Cl)cc1Cl)C(=O)Nc1ccc(-c2ccc(NC(=O)C(/N=N/c3ccc(Cl)cc3Cl)C(C)=O)c(C)c2)cc1C shows carcinogenic properties.	[]	null
The molecule with the SMILES representation of CN1C2CCC1CC(NC(=O)c1cc(Cl)cc3c1OC(C)(C)C3)C2 exhibits carcinogenic properties.	The molecule with the SMILES representation of CN1C2CCC1CC(NC(=O)c1cc(Cl)cc3c1OC(C)(C)C3)C2 exhibits carcinogenic properties.	[]	null
The molecule with the SMILES representation of CCN1C[C@@]2(COC)C3[C@@H](OC)[C@H]4[C@@H]1[C@@]3(C1C[C@@]3(O)[C@H](OC(=O)c5ccccc5)C1[C@]4(OC(C)=O)[C@@H](O)[C@H]3OC)[C@@H](OC)C[C@H]2O exhibits no carcinogenic properties.	The molecule with the SMILES representation of CCN1C[C@@]2(COC)C3[C@@H](OC)[C@H]4[C@@H]1[C@@]3(C1C[C@@]3(O)[C@H](OC(=O)c5ccccc5)C1[C@]4(OC(C)=O)[C@@H](O)[C@H]3OC)[C@@H](OC)C[C@H]2O exhibits no carcinogenic properties.	[]	null
The molecule with the SMILES representation of 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@@]21C)C(C)C shows no carcinogenic effects.	The molecule with the SMILES representation of 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@@]21C)C(C)C shows no carcinogenic effects.	[]	null
The molecule with the SMILES Cc1c(N)c(=O)n(-c2ccccc2)n1C shows no carcinogenic properties.	The molecule with the SMILES Cc1c(N)c(=O)n(-c2ccccc2)n1C shows no carcinogenic properties.	[]	null
The molecule with the SMILES Cn1nnnc1SCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](O)c3ccccc3)[C@H]2SC1 displays no carcinogenic effects.	The molecule with the SMILES Cn1nnnc1SCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](O)c3ccccc3)[C@H]2SC1 displays no carcinogenic effects.	[]	null
The molecule with the SMILES representation of CCC(=O)OC1(C(=O)CCl)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C shows no carcinogenic effects.	The molecule with the SMILES representation of CCC(=O)OC1(C(=O)CCl)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C shows no carcinogenic effects.	[]	null
The molecule with the SMILES representation of CCCC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2OP(=O)(O)OC[C@H]2[C@H]1OC(=O)CCC shows no carcinogenic properties.	The molecule with the SMILES representation of CCCC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2OP(=O)(O)OC[C@H]2[C@H]1OC(=O)CCC shows no carcinogenic properties.	[]	null
The molecule with the SMILES CNCC(O)C(O)C(O)C(O)CO displays no carcinogenic effects.	The molecule with the SMILES CNCC(O)C(O)C(O)C(O)CO displays no carcinogenic effects.	[]	null
The molecule with the SMILES representation of CN(C)CCC(c1ccc(Cl)cc1)c1ccccn1 displays no carcinogenic properties.	The molecule with the SMILES representation of CN(C)CCC(c1ccc(Cl)cc1)c1ccccn1 displays no carcinogenic properties.	[]	null
The molecule with the SMILES C/C(=C(\CCOP(=O)(O)O)SC(=O)c1ccccc1)N(C=O)Cc1cnc(C)nc1N displays no carcinogenic properties.	The molecule with the SMILES C/C(=C(\CCOP(=O)(O)O)SC(=O)c1ccccc1)N(C=O)Cc1cnc(C)nc1N displays no carcinogenic properties.	[]	null
The molecule with the SMILES C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC(=O)[C@@]32C)O[C@]12CC[C@@H](C)CO2 displays no carcinogenic properties.	The molecule with the SMILES C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC(=O)[C@@]32C)O[C@]12CC[C@@H](C)CO2 displays no carcinogenic properties.	[]	null
The molecule with the SMILES C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 shows no carcinogenic effects.	The molecule with the SMILES C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 shows no carcinogenic effects.	[]	null
The molecule with the SMILES CC1(O)CCOC(=O)C1 exhibits no carcinogenic effects.	The molecule with the SMILES CC1(O)CCOC(=O)C1 exhibits no carcinogenic effects.	[]	null
The molecule with the SMILES O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O displays no carcinogenic properties.	The molecule with the SMILES O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O displays no carcinogenic properties.	[]	null
The molecule with the SMILES COc1ccc(C(=O)OC2C[C@H]3CC[C@H](C2)N3C)cc1OC shows no carcinogenic properties.	The molecule with the SMILES COc1ccc(C(=O)OC2C[C@H]3CC[C@H](C2)N3C)cc1OC shows no carcinogenic properties.	[]	null
The molecule with the SMILES OC(CCN1CCCCC1)(c1ccccc1)c1ccccc1 shows no carcinogenic effects.	The molecule with the SMILES OC(CCN1CCCCC1)(c1ccccc1)c1ccccc1 shows no carcinogenic effects.	[]	null