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stringlengths 65
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stringlengths 65
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stringclasses 1
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sequencelengths 0
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The molecule with the SMILES CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[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)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C is not toxic in the SR-ARE assay. | [] | null |
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The molecule with the SMILES CC(C)(C)CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C is not toxic in the SR-ARE assay. | The molecule with the SMILES CC(C)(C)CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[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=CCCCCCCCCC=O is not toxic in the Antioxidant response element assay. | The molecule with the SMILES C=CCCCCCCCCC=O is not toxic in the Antioxidant response element assay. | [] | null |
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The molecule with the SMILES NCCOS(=O)(=O)O is not toxic in the SR-ARE assay. | The molecule with the SMILES NCCOS(=O)(=O)O is not toxic in the SR-ARE assay. | [] | null |
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The molecule with the SMILES O=S(=O)(Oc1ccc(Cl)cc1Cl)c1ccccc1 is not toxic in the SR-Antioxidant response element assay. | The molecule with the SMILES O=S(=O)(Oc1ccc(Cl)cc1Cl)c1ccccc1 is not toxic in the SR-Antioxidant response element assay. | [] | null |
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The molecule with the SMILES representation of [N-]=[N+]=CC(=O)OC[C@H](N)C(=O)O is not toxic in the SR-ARE assay. | The molecule with the SMILES representation of [N-]=[N+]=CC(=O)OC[C@H](N)C(=O)O is not toxic in the SR-ARE assay. | [] | null |
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The molecule with the SMILES representation of COP(=O)(OC)OC=C(Cl)Cl is toxic in the Antioxidant response element assay. | The molecule with the SMILES representation of COP(=O)(OC)OC=C(Cl)Cl is toxic in the Antioxidant response element assay. | [] | null |
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The molecule with the SMILES representation of CC(Cl)CCl is not toxic in the Antioxidant response element assay. | The molecule with the SMILES representation of CC(Cl)CCl is not toxic in the Antioxidant response element assay. | [] | null |
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The molecule with the SMILES CC(C)N(C)C is not toxic in the SR-Antioxidant response element assay. | The molecule with the SMILES CC(C)N(C)C is not toxic in the SR-Antioxidant response element assay. | [] | null |
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The molecule with the SMILES representation of CCCCCCCC/C=C/CCCOC(C)=O is not toxic in the SR-Antioxidant response element assay. | The molecule with the SMILES representation of CCCCCCCC/C=C/CCCOC(C)=O is not toxic in the SR-Antioxidant response element assay. | [] | null |
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The molecule with the SMILES representation of NCCNC(=O)c1ccc(Cl)cn1 is not toxic in the Antioxidant response element assay. | The molecule with the SMILES representation of NCCNC(=O)c1ccc(Cl)cn1 is not toxic in the Antioxidant response element assay. | [] | null |
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The molecule with the SMILES O=C(O)Cn1c(C(=O)Nc2nc(-c3ccccc3Cl)cs2)cc2ccccc21 is toxic in the SR-Antioxidant response element assay. | The molecule with the SMILES O=C(O)Cn1c(C(=O)Nc2nc(-c3ccccc3Cl)cs2)cc2ccccc21 is toxic in the SR-Antioxidant response element assay. | [] | null |
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The molecule with the SMILES representation of O=C(N/N=C/c1ccc([N+](=O)[O-])o1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O is toxic in the SR-Antioxidant response element assay. | The molecule with the SMILES representation of O=C(N/N=C/c1ccc([N+](=O)[O-])o1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O is toxic in the SR-Antioxidant response element assay. | [] | null |
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The molecule with the SMILES representation of Cc1c(Cl)c(=O)oc2cc(OP(=O)(OCCCl)OCCCl)ccc12 is not toxic in the SR-Antioxidant response element assay. | The molecule with the SMILES representation of Cc1c(Cl)c(=O)oc2cc(OP(=O)(OCCCl)OCCCl)ccc12 is not toxic in the SR-Antioxidant response element assay. | [] | null |
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The molecule with the SMILES representation of [TlH2+] is not toxic in the SR-ARE assay. | The molecule with the SMILES representation of [TlH2+] is not toxic in the SR-ARE assay. | [] | null |
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The molecule with the SMILES [Fe+2].c1cc[cH-]c1.c1cc[cH-]c1 is not toxic in the SR-ARE assay. | The molecule with the SMILES [Fe+2].c1cc[cH-]c1.c1cc[cH-]c1 is not toxic in the SR-ARE assay. | [] | null |
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The molecule with the SMILES representation of C=C(C)C(=O)OCCCCCCCCCCCCCCCCCC is not toxic in the SR-ARE assay. | The molecule with the SMILES representation of C=C(C)C(=O)OCCCCCCCCCCCCCCCCCC is not toxic in the SR-ARE assay. | [] | null |
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The molecule with the SMILES representation of CC(=O)OC1CCC(C(C)(C)C)CC1 is not toxic in the Antioxidant response element assay. | The molecule with the SMILES representation of CC(=O)OC1CCC(C(C)(C)C)CC1 is not toxic in the Antioxidant response element assay. | [] | null |
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The molecule with the SMILES representation of CC(C)OP(C)(=O)OC(C)C is not toxic in the Antioxidant response element assay. | The molecule with the SMILES representation of CC(C)OP(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 CC1=C(C)S(=O)(=O)CCS1(=O)=O is toxic in the SR-ARE assay. | The molecule with the SMILES representation of CC1=C(C)S(=O)(=O)CCS1(=O)=O is toxic in the SR-ARE assay. | [] | null |
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The molecule with the SMILES representation of CCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCC(C)C is not toxic in the Antioxidant response element assay. | The molecule with the SMILES representation of CCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCC(C)C is not toxic in the Antioxidant response element assay. | [] | null |
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The molecule with the SMILES C1=CCC(c2ccccc2)CC1 is not toxic in the SR-ARE assay. | The molecule with the SMILES C1=CCC(c2ccccc2)CC1 is not toxic in the SR-ARE assay. | [] | null |
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The molecule with the SMILES Cc1ccc(-c2ccccc2)cc1 is not toxic in the SR-ARE assay. | The molecule with the SMILES Cc1ccc(-c2ccccc2)cc1 is not toxic in the SR-ARE assay. | [] | null |
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The molecule with the SMILES CCCCC(CC)CNC(=O)CC(C)OC(=O)CCC(=O)O is not toxic in the SR-ARE assay. | The molecule with the SMILES CCCCC(CC)CNC(=O)CC(C)OC(=O)CCC(=O)O is not toxic in the SR-ARE assay. | [] | null |
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The molecule with the SMILES representation of COC(=O)Nc1nc2cc(C(=O)C3CC3)ccc2[nH]1 is not toxic in the SR-ARE assay. | The molecule with the SMILES representation of COC(=O)Nc1nc2cc(C(=O)C3CC3)ccc2[nH]1 is not toxic in the SR-ARE assay. | [] | null |
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The molecule with the SMILES representation of O=C1Nc2cc(Cl)ccc2Oc2ccccc21 is toxic in the Antioxidant response element assay. | The molecule with the SMILES representation of O=C1Nc2cc(Cl)ccc2Oc2ccccc21 is toxic in the Antioxidant response element assay. | [] | null |
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The molecule with the SMILES Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc1 is not toxic in the Antioxidant response element assay. | The molecule with the SMILES Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc1 is not toxic in the Antioxidant response element assay. | [] | null |
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The molecule with the SMILES CC(=O)NC(CCC(N)=O)C(=O)O is not toxic in the SR-ARE assay. | The molecule with the SMILES CC(=O)NC(CCC(N)=O)C(=O)O is not toxic in the SR-ARE assay. | [] | null |
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The molecule with the SMILES CCCCCCCCP(=O)(O)O is not toxic in the SR-ARE assay. | The molecule with the SMILES CCCCCCCCP(=O)(O)O is not toxic in the SR-ARE assay. | [] | null |
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The molecule with the SMILES representation of c1cc(CCCc2ccncc2)ccn1 is not toxic in the SR-ARE assay. | The molecule with the SMILES representation of c1cc(CCCc2ccncc2)ccn1 is not toxic in the SR-ARE assay. | [] | null |
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The molecule with the SMILES representation of Cc1c(F)cc2c(=O)c(C(=O)O)cn3c2c1CCC3C is not toxic in the SR-ARE assay. | The molecule with the SMILES representation of Cc1c(F)cc2c(=O)c(C(=O)O)cn3c2c1CCC3C is not toxic in the SR-ARE assay. | [] | null |
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The molecule with the SMILES representation of c1ccc(N2CCNCC2)cc1 is not toxic in the SR-ARE assay. | The molecule with the SMILES representation of c1ccc(N2CCNCC2)cc1 is not toxic in the SR-ARE assay. | [] | null |
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The molecule with the SMILES CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC=C(C(C)=O)[C@@]4(C)CC[C@@H]32)C1 is toxic in the SR-Antioxidant response element assay. | The molecule with the SMILES CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC=C(C(C)=O)[C@@]4(C)CC[C@@H]32)C1 is toxic in the SR-Antioxidant response element assay. | [] | null |
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The molecule with the SMILES representation of CC(C(O)c1ccccc1)N(C)CCOC(c1ccccc1)c1ccccc1 is not toxic in the SR-ARE assay. | The molecule with the SMILES representation of CC(C(O)c1ccccc1)N(C)CCOC(c1ccccc1)c1ccccc1 is not toxic in the SR-ARE assay. | [] | null |
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The molecule with the SMILES representation of Cc1ccc2c(n1)Oc1ccc(C(C)C(=O)OCC(=O)N(C)C)cc1C2 is not toxic in the SR-Antioxidant response element assay. | The molecule with the SMILES representation of Cc1ccc2c(n1)Oc1ccc(C(C)C(=O)OCC(=O)N(C)C)cc1C2 is not toxic in the SR-Antioxidant response element assay. | [] | null |
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The molecule with the SMILES representation of C=C(Cl)CCl is not toxic in the SR-Antioxidant response element assay. | The molecule with the SMILES representation of C=C(Cl)CCl is not toxic in the SR-Antioxidant response element assay. | [] | null |
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The molecule with the SMILES Clc1nc2ccccc2nc1Cl is not toxic in the Antioxidant response element assay. | The molecule with the SMILES Clc1nc2ccccc2nc1Cl is not toxic in the Antioxidant response element assay. | [] | null |
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The molecule with the SMILES representation of CC(C)(OOC(C)(C)c1ccccc1)c1ccccc1 is not toxic in the SR-ARE assay. | The molecule with the SMILES representation of CC(C)(OOC(C)(C)c1ccccc1)c1ccccc1 is not toxic in the SR-ARE assay. | [] | null |
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The molecule with the SMILES O=C(O)CP(=O)(O)O is not toxic in the SR-Antioxidant response element assay. | The molecule with the SMILES O=C(O)CP(=O)(O)O is not toxic in the SR-Antioxidant response element assay. | [] | null |
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The molecule with the SMILES representation of CN(C)CCC=C1c2ccccc2C=Cc2ccccc21 is not toxic in the SR-ARE assay. | The molecule with the SMILES representation of CN(C)CCC=C1c2ccccc2C=Cc2ccccc21 is not toxic in the SR-ARE assay. | [] | null |
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The molecule with the SMILES O=C([O-])CC(O)(CC(=O)O)C(=O)[O-] is not toxic in the SR-Antioxidant response element assay. | The molecule with the SMILES O=C([O-])CC(O)(CC(=O)O)C(=O)[O-] is not toxic in the SR-Antioxidant response element assay. | [] | null |
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The molecule with the SMILES representation of NCCCCCC(=O)O is not toxic in the SR-Antioxidant response element assay. | The molecule with the SMILES representation of NCCCCCC(=O)O is not toxic in the SR-Antioxidant response element assay. | [] | null |
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The molecule with the SMILES representation of Nc1nc[nH]n1 is not toxic in the Antioxidant response element assay. | The molecule with the SMILES representation of Nc1nc[nH]n1 is not toxic in the Antioxidant response element assay. | [] | null |
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The molecule with the SMILES CC1CCCCC1NC(=O)Nc1ccccc1 is not toxic in the SR-ARE assay. | The molecule with the SMILES CC1CCCCC1NC(=O)Nc1ccccc1 is not toxic in the SR-ARE assay. | [] | null |
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The molecule with the SMILES representation of CCNP(=S)(OC)O/C(C)=C/C(=O)OC(C)C is not toxic in the SR-ARE assay. | The molecule with the SMILES representation of CCNP(=S)(OC)O/C(C)=C/C(=O)OC(C)C is not toxic in the SR-ARE assay. | [] | null |
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The molecule with the SMILES representation of Cc1nc2sccn2c(=O)c1CCN1CCC(=C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 is toxic in the SR-Antioxidant response element assay. | The molecule with the SMILES representation of Cc1nc2sccn2c(=O)c1CCN1CCC(=C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 is toxic in the SR-Antioxidant response element assay. | [] | null |
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The molecule with the SMILES representation of CN1C(CCl)Nc2cc(Cl)c(S(N)(=O)=O)cc2S1(=O)=O is toxic in the SR-ARE assay. | The molecule with the SMILES representation of CN1C(CCl)Nc2cc(Cl)c(S(N)(=O)=O)cc2S1(=O)=O is toxic in the SR-ARE assay. | [] | null |
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The molecule with the SMILES c1ccc2[nH]cnc2c1 is not toxic in the SR-ARE assay. | The molecule with the SMILES c1ccc2[nH]cnc2c1 is not toxic in the SR-ARE assay. | [] | null |
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The molecule with the SMILES ClC(Cl)Cl is not toxic in the SR-Antioxidant response element assay. | The molecule with the SMILES ClC(Cl)Cl is not toxic in the SR-Antioxidant response element assay. | [] | null |
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The molecule with the SMILES representation of COC(=O)CCSCCC(=O)OC is not toxic in the SR-ARE assay. | The molecule with the SMILES representation of COC(=O)CCSCCC(=O)OC is not toxic in the SR-ARE assay. | [] | null |
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The molecule with the SMILES representation of CC(=O)O[Si](C)(OC(C)=O)OC(C)=O is not toxic in the Antioxidant response element assay. | The molecule with the SMILES representation of CC(=O)O[Si](C)(OC(C)=O)OC(C)=O is not toxic in the Antioxidant response element assay. | [] | null |
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The molecule with the SMILES ClC(Br)Br is not toxic in the SR-Antioxidant response element assay. | The molecule with the SMILES ClC(Br)Br is not toxic in the SR-Antioxidant response element assay. | [] | null |
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The molecule with the SMILES CC(C)(CCl)C(=O)Cl is not toxic in the SR-ARE assay. | The molecule with the SMILES CC(C)(CCl)C(=O)Cl is not toxic in the SR-ARE assay. | [] | null |
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The molecule with the SMILES ClCc1ccccn1 is not toxic in the SR-Antioxidant response element assay. | The molecule with the SMILES ClCc1ccccn1 is not toxic in the SR-Antioxidant response element assay. | [] | null |
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The molecule with the SMILES ClCc1cccnc1 is not toxic in the Antioxidant response element assay. | The molecule with the SMILES ClCc1cccnc1 is not toxic in the Antioxidant response element assay. | [] | null |
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The molecule with the SMILES representation of C/C=C1\[C@H]2C=C(C)C[C@]1(N)c1ccc(=O)[nH]c1C2 is not toxic in the Antioxidant response element assay. | The molecule with the SMILES representation of C/C=C1\[C@H]2C=C(C)C[C@]1(N)c1ccc(=O)[nH]c1C2 is not toxic in the Antioxidant response element assay. | [] | null |
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The molecule with the SMILES CCCC1CCC(=O)O1 is not toxic in the SR-Antioxidant response element assay. | The molecule with the SMILES CCCC1CCC(=O)O1 is not toxic in the SR-Antioxidant response element assay. | [] | null |
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The molecule with the SMILES representation of CC1CCC(=O)O1 is not toxic in the SR-Antioxidant response element assay. | The molecule with the SMILES representation of CC1CCC(=O)O1 is not toxic in the SR-Antioxidant response element assay. | [] | null |
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The molecule with the SMILES CC(=O)Oc1ccc(C(=C2CCCCC2)c2ccc(OC(C)=O)cc2)cc1 is toxic in the Antioxidant response element assay. | The molecule with the SMILES CC(=O)Oc1ccc(C(=C2CCCCC2)c2ccc(OC(C)=O)cc2)cc1 is toxic in the Antioxidant response element assay. | [] | null |
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The molecule with the SMILES NS(=O)(=O)c1cc2c(cc1Cl)NC(CC1CCCC1)NS2(=O)=O is not toxic in the SR-Antioxidant response element assay. | The molecule with the SMILES NS(=O)(=O)c1cc2c(cc1Cl)NC(CC1CCCC1)NS2(=O)=O is not toxic in the SR-Antioxidant response element assay. | [] | null |
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The molecule with the SMILES representation of C[C@H]1COc2c(C3(N)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23 is not toxic in the SR-Antioxidant response element assay. | The molecule with the SMILES representation of C[C@H]1COc2c(C3(N)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23 is not toxic in the SR-Antioxidant response element assay. | [] | null |
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The molecule with the SMILES CNC1CCCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2OC)C1 is not toxic in the SR-Antioxidant response element assay. | The molecule with the SMILES CNC1CCCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2OC)C1 is not toxic in the SR-Antioxidant response element assay. | [] | null |
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The molecule with the SMILES C=COCCCCO is not toxic in the SR-ARE assay. | The molecule with the SMILES C=COCCCCO is not toxic in the SR-ARE assay. | [] | null |
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The molecule with the SMILES representation of NCC(=O)O is not toxic in the SR-Antioxidant response element assay. | The molecule with the SMILES representation of NCC(=O)O is not toxic in the SR-Antioxidant response element assay. | [] | null |
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The molecule with the SMILES OCC1CO1 is not toxic in the SR-Antioxidant response element assay. | The molecule with the SMILES OCC1CO1 is not toxic in the SR-Antioxidant response element assay. | [] | null |
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The molecule with the SMILES representation of Cc1cc(C(C)(C)C)c(O)c(C)c1CC1=NCCN1 is not toxic in the SR-Antioxidant response element assay. | The molecule with the SMILES representation of Cc1cc(C(C)(C)C)c(O)c(C)c1CC1=NCCN1 is not toxic in the SR-Antioxidant response element assay. | [] | null |
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The molecule with the SMILES representation of CC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C is not toxic in the Antioxidant response element assay. | The molecule with the SMILES representation of CC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C is not toxic in the Antioxidant response element assay. | [] | null |
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The molecule with the SMILES representation of CC(C)COP(=O)(OCC(C)C)OCC(C)C is not toxic in the SR-ARE assay. | The molecule with the SMILES representation of CC(C)COP(=O)(OCC(C)C)OCC(C)C is not toxic in the SR-ARE assay. | [] | null |
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The molecule with the SMILES representation of C=C(C)[C@H]1CN[C@H](C(=O)O)[C@H]1CC(=O)O is not toxic in the SR-Antioxidant response element assay. | The molecule with the SMILES representation of C=C(C)[C@H]1CN[C@H](C(=O)O)[C@H]1CC(=O)O is not toxic in the SR-Antioxidant response element assay. | [] | null |
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The molecule with the SMILES CN(C)CC[C@@H](c1ccc(Cl)cc1)c1ccccn1 is not toxic in the Antioxidant response element assay. | The molecule with the SMILES CN(C)CC[C@@H](c1ccc(Cl)cc1)c1ccccn1 is not toxic in the Antioxidant response element assay. | [] | null |
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The molecule with the SMILES c1ccc(C(O[C@H]2CCCN(CCc3ccc4c(c3)OCO4)C2)c2ccccc2)cc1 is not toxic in the SR-Antioxidant response element assay. | The molecule with the SMILES c1ccc(C(O[C@H]2CCCN(CCc3ccc4c(c3)OCO4)C2)c2ccccc2)cc1 is not toxic in the SR-Antioxidant response element assay. | [] | null |
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The molecule with the SMILES representation of CC(C)OC(=O)c1cc2c(OCC(O)CNC(C)(C)C)cccc2[nH]1 is not toxic in the SR-Antioxidant response element assay. | The molecule with the SMILES representation of CC(C)OC(=O)c1cc2c(OCC(O)CNC(C)(C)C)cccc2[nH]1 is not toxic in the SR-Antioxidant response element assay. | [] | null |
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The molecule with the SMILES representation of FC(F)(F)C(=NOCC1OCCO1)c1ccc(Cl)cc1 is not toxic in the Antioxidant response element assay. | The molecule with the SMILES representation of FC(F)(F)C(=NOCC1OCCO1)c1ccc(Cl)cc1 is not toxic in the Antioxidant response element assay. | [] | null |
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The molecule with the SMILES representation of CCn1c2ccccc2c2cc([N+](=O)[O-])ccc21 is not toxic in the SR-Antioxidant response element assay. | The molecule with the SMILES representation of CCn1c2ccccc2c2cc([N+](=O)[O-])ccc21 is not toxic in the SR-Antioxidant response element assay. | [] | null |
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The molecule with the SMILES representation of CCc1ccc2c(c1)C(=O)c1ccccc1C2=O is toxic in the SR-ARE assay. | The molecule with the SMILES representation of CCc1ccc2c(c1)C(=O)c1ccccc1C2=O is toxic in the SR-ARE assay. | [] | null |
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The molecule with the SMILES representation of C=C(C)C(=O)OC1CC(C)CC(C)(C)C1 is not toxic in the SR-Antioxidant response element assay. | The molecule with the SMILES representation of C=C(C)C(=O)OC1CC(C)CC(C)(C)C1 is not toxic in the SR-Antioxidant response element assay. | [] | null |
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The molecule with the SMILES representation of C=CCc1ccc2c(c1)OCO2 is not toxic in the Antioxidant response element assay. | The molecule with the SMILES representation of C=CCc1ccc2c(c1)OCO2 is not toxic in the Antioxidant response element assay. | [] | null |
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The molecule with the SMILES O=C1NS(=O)(=O)c2ccccc21 is not toxic in the Antioxidant response element assay. | The molecule with the SMILES O=C1NS(=O)(=O)c2ccccc21 is not toxic in the Antioxidant response element assay. | [] | null |
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The molecule with the SMILES O=C1[N-]S(=O)(=O)c2ccccc21 is not toxic in the Antioxidant response element assay. | The molecule with the SMILES O=C1[N-]S(=O)(=O)c2ccccc21 is not toxic in the Antioxidant response element assay. | [] | null |
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The molecule with the SMILES CC(C)(CO)COC(=O)C(C)(C)CO is not toxic in the SR-ARE assay. | The molecule with the SMILES CC(C)(CO)COC(=O)C(C)(C)CO is not toxic in the SR-ARE assay. | [] | null |
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The molecule with the SMILES CC(=O)C=CC1=C(C)CCCC1(C)C is not toxic in the Antioxidant response element assay. | The molecule with the SMILES CC(=O)C=CC1=C(C)CCCC1(C)C is not toxic in the Antioxidant response element assay. | [] | null |
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The molecule with the SMILES representation of Nc1ccc(/N=N\c2ccccc2)c(N)c1 is toxic in the SR-Antioxidant response element assay. | The molecule with the SMILES representation of Nc1ccc(/N=N\c2ccccc2)c(N)c1 is toxic in the SR-Antioxidant response element assay. | [] | null |
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The molecule with the SMILES representation of CC1CC(OC(=O)C(O)c2ccccc2)CC(C)(C)N1C is not toxic in the SR-ARE assay. | The molecule with the SMILES representation of CC1CC(OC(=O)C(O)c2ccccc2)CC(C)(C)N1C is not toxic in the SR-ARE assay. | [] | null |
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The molecule with the SMILES c1ccc2c(c1)[nH]c1cnccc12 is not toxic in the SR-Antioxidant response element assay. | The molecule with the SMILES c1ccc2c(c1)[nH]c1cnccc12 is not toxic in the SR-Antioxidant response element assay. | [] | null |
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The molecule with the SMILES NC(=O)N=NC(N)=O is not toxic in the SR-Antioxidant response element assay. | The molecule with the SMILES NC(=O)N=NC(N)=O is not toxic in the SR-Antioxidant response element assay. | [] | null |
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The molecule with the SMILES representation of [O-][N+](=Nc1ccccc1)c1ccccc1 is toxic in the SR-ARE assay. | The molecule with the SMILES representation of [O-][N+](=Nc1ccccc1)c1ccccc1 is toxic in the SR-ARE assay. | [] | null |
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The molecule with the SMILES representation of ClC(Cl)=C(Cl)C(Cl)=C(Cl)Cl is not toxic in the SR-Antioxidant response element assay. | The molecule with the SMILES representation of ClC(Cl)=C(Cl)C(Cl)=C(Cl)Cl is not toxic in the SR-Antioxidant response element assay. | [] | null |
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The molecule with the SMILES representation of C1CCCNCCC1 is not toxic in the SR-ARE assay. | The molecule with the SMILES representation of C1CCCNCCC1 is not toxic in the SR-ARE assay. | [] | null |
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The molecule with the SMILES CC(C)(O)C#CC(C)(C)O is not toxic in the SR-Antioxidant response element assay. | The molecule with the SMILES CC(C)(O)C#CC(C)(C)O is not toxic in the SR-Antioxidant response element assay. | [] | null |
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The molecule with the SMILES representation of CC(=O)[O-].CC(=O)[O-].[Mg+2] is not toxic in the SR-Antioxidant response element assay. | The molecule with the SMILES representation of CC(=O)[O-].CC(=O)[O-].[Mg+2] is not toxic in the SR-Antioxidant response element assay. | [] | null |
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The molecule with the SMILES ClC(Cl)(Cl)C(Cl)(Cl)Cl is not toxic in the SR-Antioxidant response element assay. | The molecule with the SMILES ClC(Cl)(Cl)C(Cl)(Cl)Cl is not toxic in the SR-Antioxidant response element assay. | [] | null |
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The molecule with the SMILES representation of CN1CCN(C2=Nc3cc(F)ccc3Cc3ccccc32)CC1 is not toxic in the SR-ARE assay. | The molecule with the SMILES representation of CN1CCN(C2=Nc3cc(F)ccc3Cc3ccccc32)CC1 is not toxic in the SR-ARE assay. | [] | null |
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The molecule with the SMILES C=CCCC(=O)O is not toxic in the Antioxidant response element assay. | The molecule with the SMILES C=CCCC(=O)O is not toxic in the Antioxidant response element assay. | [] | null |
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The molecule with the SMILES [Na]I is not toxic in the SR-ARE assay. | The molecule with the SMILES [Na]I is not toxic in the SR-ARE assay. | [] | null |
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The molecule with the SMILES CCCC[N+](C)(CCCC)CCCC is not toxic in the SR-Antioxidant response element assay. | The molecule with the SMILES CCCC[N+](C)(CCCC)CCCC is not toxic in the SR-Antioxidant response element assay. | [] | null |
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The molecule with the SMILES representation of BrCCCCCBr is not toxic in the SR-Antioxidant response element assay. | The molecule with the SMILES representation of BrCCCCCBr is not toxic in the SR-Antioxidant response element assay. | [] | null |
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The molecule with the SMILES O=CNNC=O is not toxic in the SR-ARE assay. | The molecule with the SMILES O=CNNC=O is not toxic in the SR-ARE assay. | [] | null |
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The molecule with the SMILES representation of CCNC(=S)NCC is not toxic in the SR-Antioxidant response element assay. | The molecule with the SMILES representation of CCNC(=S)NCC is not toxic in the SR-Antioxidant response element assay. | [] | null |
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The molecule with the SMILES representation of CCOC(=O)/C=C\C(=O)OCC is toxic in the SR-ARE assay. | The molecule with the SMILES representation of CCOC(=O)/C=C\C(=O)OCC is toxic in the SR-ARE assay. | [] | null |
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The molecule with the SMILES representation of CCN(C=O)CC is not toxic in the SR-Antioxidant response element assay. | The molecule with the SMILES representation of CCN(C=O)CC is not toxic in the SR-Antioxidant response element assay. | [] | null |
Subsets and Splits