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stringlengths 65
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stringlengths 65
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stringclasses 1
value | answer_choices
sequencelengths 0
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The molecule with the SMILES representation of O=C(Nc1ccccc1SSc1ccccc1NC(=O)c1ccccc1)c1ccccc1 is not toxic in the SR-ARE assay. | The molecule with the SMILES representation of O=C(Nc1ccccc1SSc1ccccc1NC(=O)c1ccccc1)c1ccccc1 is not toxic in the SR-ARE assay. | [] | null |
|
The molecule with the SMILES O=NN(c1ccccc1)c1ccccc1 is not toxic in the SR-Antioxidant response element assay. | The molecule with the SMILES O=NN(c1ccccc1)c1ccccc1 is not toxic in the SR-Antioxidant response element assay. | [] | null |
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The molecule with the SMILES representation of O=Nc1ccc(Nc2ccccc2)cc1 is toxic in the SR-ARE assay. | The molecule with the SMILES representation of O=Nc1ccc(Nc2ccccc2)cc1 is toxic in the SR-ARE assay. | [] | null |
|
The molecule with the SMILES representation of C=C(C)C(=O)OC(C)C is not toxic in the Antioxidant response element assay. | The molecule with the SMILES representation of C=C(C)C(=O)OC(C)C is not toxic in the Antioxidant response element assay. | [] | null |
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The molecule with the SMILES representation of CCCC[N+](CCCC)(CCCC)CCCC is not toxic in the SR-ARE assay. | The molecule with the SMILES representation of CCCC[N+](CCCC)(CCCC)CCCC is not toxic in the SR-ARE assay. | [] | null |
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The molecule with the SMILES N=C(N)NN is not toxic in the SR-Antioxidant response element assay. | The molecule with the SMILES N=C(N)NN is not toxic in the SR-Antioxidant response element assay. | [] | null |
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The molecule with the SMILES representation of ClCCCCCCCl is not toxic in the SR-ARE assay. | The molecule with the SMILES representation of ClCCCCCCCl is not toxic in the SR-ARE assay. | [] | null |
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The molecule with the SMILES representation of CN1C(=O)CC(C)(c2ccccc2)C1=O is not toxic in the SR-ARE assay. | The molecule with the SMILES representation of CN1C(=O)CC(C)(c2ccccc2)C1=O is not toxic in the SR-ARE assay. | [] | null |
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The molecule with the SMILES representation of Nc1ccc(-c2ccc(N)cc2)cc1 is toxic in the SR-ARE assay. | The molecule with the SMILES representation of Nc1ccc(-c2ccc(N)cc2)cc1 is toxic in the SR-ARE assay. | [] | null |
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The molecule with the SMILES representation of C=CCCC is not toxic in the SR-Antioxidant response element assay. | The molecule with the SMILES representation of C=CCCC is not toxic in the SR-Antioxidant response element assay. | [] | null |
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The molecule with the SMILES representation of CCOC(=O)CP(=O)(OCC)OCC is not toxic in the SR-Antioxidant response element assay. | The molecule with the SMILES representation of CCOC(=O)CP(=O)(OCC)OCC is not toxic in the SR-Antioxidant response element assay. | [] | null |
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The molecule with the SMILES representation of O=C(O)COCC(=O)O is not toxic in the Antioxidant response element assay. | The molecule with the SMILES representation of O=C(O)COCC(=O)O is not toxic in the Antioxidant response element assay. | [] | null |
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The molecule with the SMILES N#CC(C#N)=C(C#N)C#N is toxic in the Antioxidant response element assay. | The molecule with the SMILES N#CC(C#N)=C(C#N)C#N is toxic in the Antioxidant response element assay. | [] | null |
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The molecule with the SMILES representation of O=C(O)c1c2ccccc2cc2ccccc12 is not toxic in the Antioxidant response element assay. | The molecule with the SMILES representation of O=C(O)c1c2ccccc2cc2ccccc12 is not toxic in the Antioxidant response element assay. | [] | null |
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The molecule with the SMILES CNC(=O)N(c1ccccc1)c1ccccc1 is not toxic in the Antioxidant response element assay. | The molecule with the SMILES CNC(=O)N(c1ccccc1)c1ccccc1 is not toxic in the Antioxidant response element assay. | [] | null |
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The molecule with the SMILES CN(CCO)CCO is not toxic in the SR-Antioxidant response element assay. | The molecule with the SMILES CN(CCO)CCO is not toxic in the SR-Antioxidant response element assay. | [] | null |
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The molecule with the SMILES representation of C=CC(=O)NCNC(=O)C=C is toxic in the Antioxidant response element assay. | The molecule with the SMILES representation of C=CC(=O)NCNC(=O)C=C is toxic in the Antioxidant response element assay. | [] | null |
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The molecule with the SMILES C[C@H](CN1CCOCC1)C(C(=O)N1CCCC1)(c1ccccc1)c1ccccc1 is not toxic in the SR-ARE assay. | The molecule with the SMILES C[C@H](CN1CCOCC1)C(C(=O)N1CCCC1)(c1ccccc1)c1ccccc1 is not toxic in the SR-ARE assay. | [] | null |
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The molecule with the SMILES representation of Nc1ccccc1-c1ccccc1 is not toxic in the SR-ARE assay. | The molecule with the SMILES representation of Nc1ccccc1-c1ccccc1 is not toxic in the SR-ARE assay. | [] | null |
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The molecule with the SMILES CCCCS is not toxic in the SR-ARE assay. | The molecule with the SMILES CCCCS is not toxic in the SR-ARE assay. | [] | null |
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The molecule with the SMILES Brc1c(NC2=NCCN2)ccc2nccnc12 is not toxic in the SR-ARE assay. | The molecule with the SMILES Brc1c(NC2=NCCN2)ccc2nccnc12 is not toxic in the SR-ARE assay. | [] | null |
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The molecule with the SMILES C[C@]12C=CC3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@H]2O is toxic in the Antioxidant response element assay. | The molecule with the SMILES C[C@]12C=CC3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@H]2O is toxic in the Antioxidant response element assay. | [] | null |
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The molecule with the SMILES representation of CCCCCCCC(=O)OCC(O)CO is not toxic in the SR-ARE assay. | The molecule with the SMILES representation of CCCCCCCC(=O)OCC(O)CO is not toxic in the SR-ARE assay. | [] | null |
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The molecule with the SMILES CCCCCCCCCCCCCC(=O)OCC(O)CO is not toxic in the SR-Antioxidant response element assay. | The molecule with the SMILES CCCCCCCCCCCCCC(=O)OCC(O)CO is not toxic in the SR-Antioxidant response element assay. | [] | null |
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The molecule with the SMILES representation of Cc1ccc(S(=O)(=O)NC(=O)NN2CCCCCC2)cc1 is not toxic in the SR-Antioxidant response element assay. | The molecule with the SMILES representation of Cc1ccc(S(=O)(=O)NC(=O)NN2CCCCCC2)cc1 is not toxic in the SR-Antioxidant response element assay. | [] | null |
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The molecule with the SMILES representation of C=CCN(CC=C)C(=O)C(Cl)Cl is not toxic in the Antioxidant response element assay. | The molecule with the SMILES representation of C=CCN(CC=C)C(=O)C(Cl)Cl is not toxic in the Antioxidant response element assay. | [] | null |
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The molecule with the SMILES CCCCCCCCCCCCCCCCO is toxic in the SR-ARE assay. | The molecule with the SMILES CCCCCCCCCCCCCCCCO is toxic in the SR-ARE assay. | [] | null |
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The molecule with the SMILES representation of O=C1c2cccc(O)c2C(=O)c2c(O)cc(CO)cc21 is toxic in the SR-Antioxidant response element assay. | The molecule with the SMILES representation of O=C1c2cccc(O)c2C(=O)c2c(O)cc(CO)cc21 is toxic in the SR-Antioxidant response element assay. | [] | null |
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The molecule with the SMILES C1CSCCS1 is not toxic in the Antioxidant response element assay. | The molecule with the SMILES C1CSCCS1 is not toxic in the Antioxidant response element assay. | [] | null |
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The molecule with the SMILES representation of OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H](CO)O[C@H](O[C@@H]6[C@@H](CO)O[C@H](O[C@@H]7[C@@H](CO)O[C@H](O[C@H]1[C@H](O)[C@H]2O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O is toxic in the SR-Antioxidant response element assay. | The molecule with the SMILES representation of OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H](CO)O[C@H](O[C@@H]6[C@@H](CO)O[C@H](O[C@@H]7[C@@H](CO)O[C@H](O[C@H]1[C@H](O)[C@H]2O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O is toxic in the SR-Antioxidant response element assay. | [] | null |
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The molecule with the SMILES CCCCCC[C@@H](O)C/C=C\CCCCCCCC(=O)OC is not toxic in the SR-Antioxidant response element assay. | The molecule with the SMILES CCCCCC[C@@H](O)C/C=C\CCCCCCCC(=O)OC is not toxic in the SR-Antioxidant response element assay. | [] | null |
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The molecule with the SMILES representation of Clc1ccccc1N1CCNCC1 is toxic in the SR-Antioxidant response element assay. | The molecule with the SMILES representation of Clc1ccccc1N1CCNCC1 is toxic in the SR-Antioxidant response element assay. | [] | null |
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The molecule with the SMILES O=C(c1ccco1)N1CCNCC1 is not toxic in the Antioxidant response element assay. | The molecule with the SMILES O=C(c1ccco1)N1CCNCC1 is not toxic in the Antioxidant response element assay. | [] | null |
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The molecule with the SMILES OC1(c2ccccc2)CCNCC1 is not toxic in the SR-ARE assay. | The molecule with the SMILES OC1(c2ccccc2)CCNCC1 is not toxic in the SR-ARE assay. | [] | null |
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The molecule with the SMILES representation of C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C is not toxic in the SR-Antioxidant response element assay. | The molecule with the SMILES representation of C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C is not toxic in the SR-Antioxidant response element assay. | [] | null |
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The molecule with the SMILES CCC(C)(C)C1CCC(O)CC1 is not toxic in the Antioxidant response element assay. | The molecule with the SMILES CCC(C)(C)C1CCC(O)CC1 is not toxic in the Antioxidant response element assay. | [] | null |
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The molecule with the SMILES CCC(CO)(CO)COCC(CC)(CO)CO is not toxic in the SR-ARE assay. | The molecule with the SMILES CCC(CO)(CO)COCC(CC)(CO)CO is not toxic in the SR-ARE assay. | [] | null |
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The molecule with the SMILES representation of N=C1NC(=N)c2ccccc21 is toxic in the SR-Antioxidant response element assay. | The molecule with the SMILES representation of N=C1NC(=N)c2ccccc21 is toxic in the SR-Antioxidant response element assay. | [] | null |
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The molecule with the SMILES representation of C=C(C)C(=O)OCCCCOC(=O)C(=C)C is not toxic in the SR-ARE assay. | The molecule with the SMILES representation of C=C(C)C(=O)OCCCCOC(=O)C(=C)C is not toxic in the SR-ARE assay. | [] | null |
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The molecule with the SMILES N#CCCOCCOCCC#N is not toxic in the Antioxidant response element assay. | The molecule with the SMILES N#CCCOCCOCCC#N is not toxic in the Antioxidant response element assay. | [] | null |
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The molecule with the SMILES representation of CN(C)CCN(C)CCO is not toxic in the Antioxidant response element assay. | The molecule with the SMILES representation of CN(C)CCN(C)CCO is not toxic in the Antioxidant response element assay. | [] | null |
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The molecule with the SMILES C(COCC1CO1)OCC1CO1 is toxic in the SR-ARE assay. | The molecule with the SMILES C(COCC1CO1)OCC1CO1 is toxic in the SR-ARE assay. | [] | null |
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The molecule with the SMILES representation of CCOC(=O)OCC/C(SC(=O)OCC)=C(\C)N(C=O)Cc1cnc(C)nc1N is not toxic in the SR-ARE assay. | The molecule with the SMILES representation of CCOC(=O)OCC/C(SC(=O)OCC)=C(\C)N(C=O)Cc1cnc(C)nc1N is not toxic in the SR-ARE assay. | [] | null |
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The molecule with the SMILES CCOP(=O)(OCC)OCC is not toxic in the SR-ARE assay. | The molecule with the SMILES CCOP(=O)(OCC)OCC is not toxic in the SR-ARE assay. | [] | null |
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The molecule with the SMILES Oc1ccc(Cl)cc1Sc1cc(Cl)ccc1O is not toxic in the Antioxidant response element assay. | The molecule with the SMILES Oc1ccc(Cl)cc1Sc1cc(Cl)ccc1O is not toxic in the Antioxidant response element assay. | [] | null |
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The molecule with the SMILES CCC(C)n1c(=O)[nH]c(C)c(Br)c1=O is not toxic in the Antioxidant response element assay. | The molecule with the SMILES CCC(C)n1c(=O)[nH]c(C)c(Br)c1=O is not toxic in the Antioxidant response element assay. | [] | null |
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The molecule with the SMILES CC(=O)OCCOCCOCCOC(C)=O is not toxic in the Antioxidant response element assay. | The molecule with the SMILES CC(=O)OCCOCCOCCOC(C)=O is not toxic in the Antioxidant response element assay. | [] | null |
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The molecule with the SMILES representation of OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F is not toxic in the Antioxidant response element assay. | The molecule with the SMILES representation of OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F is not toxic in the Antioxidant response element assay. | [] | null |
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The molecule with the SMILES Nc1ccc(Nc2ccccc2)cc1 is toxic in the SR-ARE assay. | The molecule with the SMILES Nc1ccc(Nc2ccccc2)cc1 is toxic in the SR-ARE assay. | [] | null |
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The molecule with the SMILES NNCCO is not toxic in the SR-ARE assay. | The molecule with the SMILES NNCCO is not toxic in the SR-ARE assay. | [] | null |
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The molecule with the SMILES representation of CCN1CCCC(OC(=O)C(c2ccccc2)c2ccccc2)C1 is not toxic in the SR-Antioxidant response element assay. | The molecule with the SMILES representation of CCN1CCCC(OC(=O)C(c2ccccc2)c2ccccc2)C1 is not toxic in the SR-Antioxidant response element assay. | [] | null |
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The molecule with the SMILES representation of CCOCC(C)O is not toxic in the SR-ARE assay. | The molecule with the SMILES representation of CCOCC(C)O is not toxic in the SR-ARE assay. | [] | null |
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The molecule with the SMILES representation of CN(C)CCCN is not toxic in the SR-ARE assay. | The molecule with the SMILES representation of CN(C)CCCN is not toxic in the SR-ARE assay. | [] | null |
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The molecule with the SMILES representation of O=C1CCCc2ccccc21 is not toxic in the Antioxidant response element assay. | The molecule with the SMILES representation of O=C1CCCc2ccccc21 is not toxic in the Antioxidant response element assay. | [] | null |
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The molecule with the SMILES representation of c1ccc(N=NNc2ccccc2)cc1 is toxic in the SR-ARE assay. | The molecule with the SMILES representation of c1ccc(N=NNc2ccccc2)cc1 is toxic in the SR-ARE assay. | [] | null |
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The molecule with the SMILES representation of COC(C)OC is not toxic in the SR-Antioxidant response element assay. | The molecule with the SMILES representation of COC(C)OC is not toxic in the SR-Antioxidant response element assay. | [] | null |
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The molecule with the SMILES representation of C=CC(=O)OCC is not toxic in the Antioxidant response element assay. | The molecule with the SMILES representation of C=CC(=O)OCC is not toxic in the Antioxidant response element assay. | [] | null |
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The molecule with the SMILES CN1CCCC1=O is not toxic in the SR-Antioxidant response element assay. | The molecule with the SMILES CN1CCCC1=O is not toxic in the SR-Antioxidant response element assay. | [] | null |
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The molecule with the SMILES representation of CC(C)N(CCO)C(C)C is not toxic in the Antioxidant response element assay. | The molecule with the SMILES representation of CC(C)N(CCO)C(C)C is not toxic in the Antioxidant response element assay. | [] | null |
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The molecule with the SMILES CCC(C)=NO is not toxic in the Antioxidant response element assay. | The molecule with the SMILES CCC(C)=NO is not toxic in the Antioxidant response element assay. | [] | null |
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The molecule with the SMILES representation of CCC(=O)CC is not toxic in the SR-ARE assay. | The molecule with the SMILES representation of CCC(=O)CC is not toxic in the SR-ARE assay. | [] | null |
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The molecule with the SMILES representation of CCCC(C)CC is not toxic in the SR-Antioxidant response element assay. | The molecule with the SMILES representation of CCCC(C)CC is not toxic in the SR-Antioxidant response element assay. | [] | null |
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The molecule with the SMILES C=C(C)C(=O)OCCN(C)C is not toxic in the SR-Antioxidant response element assay. | The molecule with the SMILES C=C(C)C(=O)OCCN(C)C is not toxic in the SR-Antioxidant response element assay. | [] | null |
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The molecule with the SMILES Cc1cc(=O)nc(C(C)C)[nH]1 is not toxic in the SR-Antioxidant response element assay. | The molecule with the SMILES Cc1cc(=O)nc(C(C)C)[nH]1 is not toxic in the SR-Antioxidant response element assay. | [] | null |
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The molecule with the SMILES representation of CC1(C)CC(N)CC(C)(CN)C1 is not toxic in the SR-ARE assay. | The molecule with the SMILES representation of CC1(C)CC(N)CC(C)(CN)C1 is not toxic in the SR-ARE assay. | [] | null |
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The molecule with the SMILES representation of CCCOCCO is not toxic in the Antioxidant response element assay. | The molecule with the SMILES representation of CCCOCCO is not toxic in the Antioxidant response element assay. | [] | null |
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The molecule with the SMILES representation of COC(=O)CCS is not toxic in the SR-ARE assay. | The molecule with the SMILES representation of COC(=O)CCS is not toxic in the SR-ARE assay. | [] | null |
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The molecule with the SMILES representation of OC[C@H]1O[C@@H](n2cnc3c(S)ncnc32)[C@H](O)[C@@H]1O is toxic in the SR-Antioxidant response element assay. | The molecule with the SMILES representation of OC[C@H]1O[C@@H](n2cnc3c(S)ncnc32)[C@H](O)[C@@H]1O is toxic in the SR-Antioxidant response element assay. | [] | null |
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The molecule with the SMILES representation of CC1(C)CO[C@@H](CC(=O)O)CN1 is not toxic in the Antioxidant response element assay. | The molecule with the SMILES representation of CC1(C)CO[C@@H](CC(=O)O)CN1 is not toxic in the Antioxidant response element assay. | [] | null |
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The molecule with the SMILES representation of N=C(N)NN.N=C(N)NN is not toxic in the SR-Antioxidant response element assay. | The molecule with the SMILES representation of N=C(N)NN.N=C(N)NN is not toxic in the SR-Antioxidant response element assay. | [] | null |
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The molecule with the SMILES representation of CCCCCC/C=C/C(=O)OC is not toxic in the Antioxidant response element assay. | The molecule with the SMILES representation of CCCCCC/C=C/C(=O)OC is not toxic in the Antioxidant response element assay. | [] | null |
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The molecule with the SMILES CCCCCCCC(=O)OCCCCCC is not toxic in the SR-ARE assay. | The molecule with the SMILES CCCCCCCC(=O)OCCCCCC is not toxic in the SR-ARE assay. | [] | null |
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The molecule with the SMILES representation of CCCCCCCC/C=C\CCCCCCCC(=O)OCC is not toxic in the SR-Antioxidant response element assay. | The molecule with the SMILES representation of CCCCCCCC/C=C\CCCCCCCC(=O)OCC is not toxic in the SR-Antioxidant response element assay. | [] | null |
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The molecule with the SMILES CC1(C)Oc2ccc(C#N)cc2[C@@H](N2CCCC2=O)[C@@H]1O is not toxic in the SR-ARE assay. | The molecule with the SMILES CC1(C)Oc2ccc(C#N)cc2[C@@H](N2CCCC2=O)[C@@H]1O is not toxic in the SR-ARE assay. | [] | null |
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The molecule with the SMILES O=C(O)CCCCCCC(=O)O is not toxic in the SR-Antioxidant response element assay. | The molecule with the SMILES O=C(O)CCCCCCC(=O)O is not toxic in the SR-Antioxidant response element assay. | [] | null |
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The molecule with the SMILES Cc1ccccc1/N=N/c1ccc(/N=N/c2c(O)ccc3ccccc23)c(C)c1 is toxic in the SR-Antioxidant response element assay. | The molecule with the SMILES Cc1ccccc1/N=N/c1ccc(/N=N/c2c(O)ccc3ccccc23)c(C)c1 is toxic in the SR-Antioxidant response element assay. | [] | null |
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The molecule with the SMILES CCCCCCCCCCCCCBr is not toxic in the Antioxidant response element assay. | The molecule with the SMILES CCCCCCCCCCCCCBr is not toxic in the Antioxidant response element assay. | [] | null |
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The molecule with the SMILES Cc1ncsc1CCCl is not toxic in the SR-Antioxidant response element assay. | The molecule with the SMILES Cc1ncsc1CCCl is not toxic in the SR-Antioxidant response element assay. | [] | null |
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The molecule with the SMILES representation of Clc1cccc(Cl)c1N=C1NCCN1 is not toxic in the SR-ARE assay. | The molecule with the SMILES representation of Clc1cccc(Cl)c1N=C1NCCN1 is not toxic in the SR-ARE assay. | [] | null |
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The molecule with the SMILES representation of CCCCOC(O)CC is not toxic in the Antioxidant response element assay. | The molecule with the SMILES representation of CCCCOC(O)CC is not toxic in the Antioxidant response element assay. | [] | null |
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The molecule with the SMILES representation of CCCCCCCCCCCCOS(=O)(=O)[O-] is not toxic in the Antioxidant response element assay. | The molecule with the SMILES representation of CCCCCCCCCCCCOS(=O)(=O)[O-] is not toxic in the Antioxidant response element assay. | [] | null |
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The molecule with the SMILES CCOC(=O)C1=NOC(c2ccccc2)(c2ccccc2)C1 is not toxic in the SR-Antioxidant response element assay. | The molecule with the SMILES CCOC(=O)C1=NOC(c2ccccc2)(c2ccccc2)C1 is not toxic in the SR-Antioxidant response element assay. | [] | null |
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The molecule with the SMILES representation of CC(C)(C)C(O)/C(=C\c1ccc(Cl)cc1Cl)n1cncn1 is toxic in the SR-ARE assay. | The molecule with the SMILES representation of CC(C)(C)C(O)/C(=C\c1ccc(Cl)cc1Cl)n1cncn1 is toxic in the SR-ARE assay. | [] | null |
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The molecule with the SMILES representation of CCOC(=O)C1(c2ccccc2)CCN(CCc2ccc(N)cc2)CC1 is not toxic in the Antioxidant response element assay. | The molecule with the SMILES representation of CCOC(=O)C1(c2ccccc2)CCN(CCc2ccc(N)cc2)CC1 is not toxic in the Antioxidant response element assay. | [] | null |
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The molecule with the SMILES representation of CCCCC(=O)O[C@]1(C(=O)CO)[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 is not toxic in the SR-Antioxidant response element assay. | The molecule with the SMILES representation of CCCCC(=O)O[C@]1(C(=O)CO)[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 is not toxic in the SR-Antioxidant response element assay. | [] | null |
|
The molecule with the SMILES CC(C)(CO)[C@@H](O)C(=O)NCCCO is not toxic in the SR-ARE assay. | The molecule with the SMILES CC(C)(CO)[C@@H](O)C(=O)NCCCO is not toxic in the SR-ARE assay. | [] | null |
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The molecule with the SMILES CC(=O)OCC(=O)[C@@]1(O)[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 is not toxic in the SR-ARE assay. | The molecule with the SMILES CC(=O)OCC(=O)[C@@]1(O)[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 is not toxic in the SR-ARE assay. | [] | null |
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The molecule with the SMILES C/C=C(\C)C(=O)OC/C=C(\C)CCC=C(C)C is not toxic in the SR-Antioxidant response element assay. | The molecule with the SMILES C/C=C(\C)C(=O)OC/C=C(\C)CCC=C(C)C is not toxic in the SR-Antioxidant response element assay. | [] | null |
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The molecule with the SMILES CC(C)=CC(=O)O is not toxic in the Antioxidant response element assay. | The molecule with the SMILES CC(C)=CC(=O)O is not toxic in the Antioxidant response element assay. | [] | null |
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The molecule with the SMILES representation of CN1CCCC1 is not toxic in the SR-ARE assay. | The molecule with the SMILES representation of CN1CCCC1 is not toxic in the SR-ARE assay. | [] | null |
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The molecule with the SMILES representation of N=C(NCCCCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1)NC(=N)Nc1ccc(Cl)cc1 is toxic in the SR-Antioxidant response element assay. | The molecule with the SMILES representation of N=C(NCCCCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1)NC(=N)Nc1ccc(Cl)cc1 is toxic in the SR-Antioxidant response element assay. | [] | null |
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The molecule with the SMILES CCCCCC(C)N.CCCCCC(C)N is not toxic in the SR-Antioxidant response element assay. | The molecule with the SMILES CCCCCC(C)N.CCCCCC(C)N is not toxic in the SR-Antioxidant response element assay. | [] | null |
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The molecule with the SMILES representation of CC=CC=CCOC(=O)C(C)C is toxic in the SR-ARE assay. | The molecule with the SMILES representation of CC=CC=CCOC(=O)C(C)C is toxic in the SR-ARE assay. | [] | null |
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The molecule with the SMILES representation of CCC(C)OC(=O)N1CCCCC1CCO is not toxic in the SR-Antioxidant response element assay. | The molecule with the SMILES representation of CCC(C)OC(=O)N1CCCCC1CCO is not toxic in the SR-Antioxidant response element assay. | [] | null |
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The molecule with the SMILES CCCCCC1CCC(=O)O1 is not toxic in the Antioxidant response element assay. | The molecule with the SMILES CCCCCC1CCC(=O)O1 is not toxic in the Antioxidant response element assay. | [] | null |
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The molecule with the SMILES CC/C=C\CCOC(C)OCC is not toxic in the Antioxidant response element assay. | The molecule with the SMILES CC/C=C\CCOC(C)OCC is not toxic in the Antioxidant response element assay. | [] | null |
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The molecule with the SMILES representation of COC(=O)C(Cl)C(=O)OC is toxic in the Antioxidant response element assay. | The molecule with the SMILES representation of COC(=O)C(Cl)C(=O)OC is toxic in the Antioxidant response element assay. | [] | null |
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The molecule with the SMILES representation of CC(C)(C)N is not toxic in the SR-Antioxidant response element assay. | The molecule with the SMILES representation of CC(C)(C)N is not toxic in the SR-Antioxidant response element assay. | [] | null |
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The molecule with the SMILES representation of NCCOCCO is not toxic in the Antioxidant response element assay. | The molecule with the SMILES representation of NCCOCCO is not toxic in the Antioxidant response element assay. | [] | null |
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The molecule with the SMILES representation of CC[N+]1(CC)CCC(=C(c2ccccc2)c2ccccc2)C1C is not toxic in the SR-Antioxidant response element assay. | The molecule with the SMILES representation of CC[N+]1(CC)CCC(=C(c2ccccc2)c2ccccc2)C1C is not toxic in the SR-Antioxidant response element assay. | [] | null |
Subsets and Splits