NR-AR float64 0 1 ⌀ | NR-AR-LBD float64 0 1 ⌀ | NR-AhR float64 0 1 ⌀ | NR-Aromatase float64 0 1 ⌀ | NR-ER float64 0 1 ⌀ | NR-ER-LBD float64 0 1 ⌀ | NR-PPAR-gamma float64 0 1 ⌀ | SR-ATAD5 float64 0 1 ⌀ | SR-HSE float64 0 1 ⌀ | SR-MMP float64 0 1 ⌀ | SR-p53 float64 0 1 ⌀ | mol_id stringlengths 4 8 | smiles stringlengths 2 322 | SR-ARE float64 0 1 ⌀ |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
0 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | null | 0 | TOX17612 | CCOP(=S)(OCC)Oc1ncn(-c2ccccc2)n1 | 0 |
0 | null | 0 | null | null | 0 | null | 0 | null | null | 1 | TOX21268 | CCOC(=O)c1nc(C(Cl)(Cl)Cl)n(-c2ccc(Cl)cc2Cl)n1 | null |
0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | TOX5508 | O=C(O)CCCCC1CCSS1 | 1 |
0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | TOX26541 | NC(=O)CCCCC1CCSS1 | 0 |
0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | TOX27549 | CCOC(=O)CC1(C)OCC(C)O1 | 0 |
0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | null | 0 | TOX7284 | C1COCO1 | 0 |
0 | 0 | 1 | 1 | null | 0 | null | 0 | null | 0 | 0 | TOX28533 | N#C/C(=C1/SC[C@@H](c2ccc(Cl)cc2Cl)S1)n1ccnc1 | 1 |
null | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | TOX26428 | N#C/C(=C1\SCC(c2ccccc2Cl)S1)n1ccnc1 | 0 |
0 | null | 0 | 0 | null | 0 | null | 0 | null | null | 1 | TOX26707 | CC[C@@H](C(=O)[C@@H](C)[C@@H](O)[C@H](C)[C@@H]1O[C@@H]([C@@H](CC)C(=O)O)[C@@H](C)C[C@@H]1C)[C@H]1O[C@]2(C=C[C@@H](O)[C@]3(CC[C@@](C)([C@H]4CC[C@](O)(CC)[C@H](C)O4)O3)O2)[C@H](C)C[C@@H]1C | null |
0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | null | null | null | TOX25902 | CC[C@@H](C(=O)[C@@H](C)[C@@H](O)[C@H](C)[C@@H]1O[C@@H]([C@@H](CC)C(=O)[O-])CC[C@@H]1C)[C@H]1O[C@]2(C=C[C@@H](O)[C@]3(CC[C@@](C)([C@H]4CC[C@](O)(CC)[C@H](C)O4)O3)O2)[C@H](C)C[C@@H]1C | null |
0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | TOX2647 | NS(=O)(=O)c1cc2c(cc1C(F)(F)F)NC(Cc1ccccc1)NS2(=O)=O | 0 |
0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | null | 0 | 0 | TOX25114 | NS(=O)(=O)c1cc2c(cc1Cl)NC(Cc1ccccc1)NS2(=O)=O | null |
0 | 0 | 0 | 0 | null | 0 | 0 | 0 | 0 | 0 | 0 | TOX7844 | C[C@]12C(=O)OC(=O)[C@H]1[C@H]1C=C[C@@H]2C1 | 0 |
0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | TOX27456 | O=C1OC(=O)C2C3C=CC(C3)C12 | 0 |
0 | 0 | null | null | null | 0 | 0 | null | null | 0 | 0 | TOX26577 | CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2c(O)c(S(=O)(=O)[O-])cc3cc(S(=O)(=O)[O-])ccc23)cc1 | null |
0 | null | null | 1 | null | null | null | null | 1 | 1 | null | TOX18888 | CCNc1ccc(C(=C2C=CC(=[N+](CC)CC)C=C2)c2ccc(N(CC)CC)cc2)c2ccccc12 | 0 |
0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | TOX25202 | CN/C(=N\c1ccc(C2=NNC(=O)CC2C)cc1)NC#N | 0 |
0 | null | null | null | null | 0 | null | 0 | 0 | null | 1 | TOX26445 | C[C@@H]1CC(=O)NN=C1c1ccc(NN=C(C#N)C#N)cc1 | 0 |
0 | 0 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | TOX25208 | CCCCNc1c(C(=O)OCC)c(C)nc2c1cnn2CC | null |
0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | null | 0 | TOX25767 | CCOC(=O)c1cnc2c(cnn2CC)c1NN=C(C)C | 0 |
0 | null | null | null | 0 | 0 | null | 1 | null | null | 0 | TOX3693 | COc1ccc(/C=C/C(=O)Nc2ccccc2C(=O)O)cc1OC | null |
0 | 0 | 0 | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | TOX25653 | CN(C)CCCSc1ccccc1NC(=O)/C=C/c1ccccc1 | 0 |
0 | 0 | 1 | null | null | 0 | 0 | 0 | 0 | null | 0 | TOX5178 | N=C(Nc1ccccc1)Nc1ccccc1 | 1 |
0 | 0 | null | 0 | 0 | 0 | 0 | 0 | 0 | null | 0 | TOX6606 | Cc1ccccc1NC(=N)Nc1ccccc1C | 0 |
null | null | null | null | null | null | null | null | 0 | null | null | TOX25484 | CCN[C@@H]1C[C@H](N)[C@@H](OC2OC(CN)=CCC2N)[C@H](O)[C@H]1O[C@H]1OC[C@](C)(O)[C@H](NC)[C@H]1O.CCN[C@@H]1C[C@H](N)[C@@H](OC2OC(CN)=CCC2N)[C@H](O)[C@H]1O[C@H]1OC[C@](C)(O)[C@H](NC)[C@H]1O | 0 |
1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | null | 0 | 0 | TOX25479 | CN[C@@H]1[C@@H](O)[C@@H](O[C@@H]2[C@@H](O)[C@H](OC3OC(CN)=CCC3N)[C@@H](N)C[C@H]2N)OC[C@]1(C)O.CN[C@@H]1[C@@H](O)[C@@H](O[C@@H]2[C@@H](O)[C@H](OC3OC(CN)=CCC3N)[C@@H](N)C[C@H]2N)OC[C@]1(C)O | null |
0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | null | 0 | TOX6147 | COc1ccc(CN(CCN(C)C)c2ncccn2)cc1 | 0 |
0 | 0 | 0 | null | 0 | 0 | 0 | 0 | null | null | 0 | TOX25326 | CCCCCCCCCCCCCCCC[N+](C)(C)CCN(Cc1ccc(OC)cc1)c1ncccn1 | null |
0 | 0 | 0 | 0 | null | 0 | 0 | 0 | 0 | 0 | 0 | TOX14165 | CC1(C)NC(=O)N(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1=O | 1 |
0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | TOX4154 | CC(C)NC(=O)N1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1=O | 0 |
0 | 0 | null | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | TOX3752 | CC(c1cc2ccccc2s1)N(O)C(N)=O | 0 |
null | null | null | null | null | null | null | null | 0 | null | null | TOX31481 | CC(=O)c1cc2ccccc2s1 | 0 |
0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | TOX7049 | C=C1CCC2CC1C2(C)C | 0 |
0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | null | 0 | TOX21184 | C=C1CC[C@H]2C[C@@H]1C2(C)C | 0 |
0 | 0 | 0 | 0 | 0 | 0 | 0 | null | null | 0 | 0 | TOX24239 | COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1.COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1 | null |
0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | null | 0 | 0 | TOX25679 | COc1ccc(C[C@H](C)NC[C@@H](O)c2ccc(O)c(NC=O)c2)cc1.COc1ccc(C[C@H](C)NC[C@@H](O)c2ccc(O)c(NC=O)c2)cc1 | null |
0 | 0 | 1 | null | 0 | 0 | 0 | 0 | 0 | null | 0 | TOX1315 | Clc1cc2c(cc1Cl)Oc1cc(Cl)c(Cl)cc1O2 | 1 |
0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | TOX410 | c1ccc2c(c1)Oc1ccccc1O2 | 0 |
0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | TOX2326 | C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O | 0 |
0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | null | 0 | 0 | TOX25929 | C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(OCCO)c(OCCO)c4)oc4cc(OCCO)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O | null |
0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | TOX3419 | CC1OC(C)OC(C)O1 | 0 |
0 | 0 | 0 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | TOX1925 | C1OCOCO1 | 0 |
0 | 0 | 0 | null | null | 0 | 0 | 0 | 0 | 1 | 1 | TOX3411 | CC(=O)Oc1ccc(C2(c3ccc(OC(C)=O)cc3)C(=O)Nc3ccccc32)cc1 | 0 |
0 | 0 | 0 | null | null | 0 | null | 0 | 0 | null | 1 | TOX24528 | O=C1Nc2ccccc2C1(c1ccc(O)cc1)c1ccc(O)cc1 | 0 |
null | null | null | null | null | null | null | null | 0 | null | null | TOX25958 | CCN(CC)CCOc1ccc2c(c1)C(=O)c1cc(OCCN(CC)CC)ccc1-2 | null |
0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | null | 0 | TOX29263 | O=C1c2ccccc2-c2ccccc21 | 0 |
0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | TOX20234 | Nc1nc(N)nc(-c2cc(Cl)ccc2Cl)n1 | 0 |
0 | 0 | 1 | null | 1 | 0 | 0 | 0 | 0 | 0 | 0 | TOX142 | Nc1nc(N)nc(-c2ccccc2)n1 | 0 |
0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | TOX26107 | COc1cc(C(=S)N2CCOCC2)ccc1O | 0 |
0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | TOX26195 | COc1cc(C(=S)N2CCOCC2)cc(OC)c1OC | 0 |
0 | 0 | 0 | 0 | null | 0 | null | 0 | 0 | null | 0 | TOX14095 | COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC | 0 |
0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | TOX27844 | COc1ccc(CCN(C)CCCC(C#N)(c2cc(OC)c(OC)c(OC)c2)C(C)C)cc1OC | 0 |
0 | 0 | 0 | 0 | 0 | 0 | null | 0 | 0 | 0 | 0 | TOX28592 | Oc1ccc(CCNCCCCCCNCCc2ccccc2)cc1O | null |
0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | null | 0 | TOX26688 | Oc1ccc(C(O)CNCCCCCCNCC(O)c2ccc(O)c(O)c2)cc1O | null |
0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | TOX24215 | COc1ccnc(CS(=O)c2nc3cc(OC(F)F)ccc3[n-]2)c1OC | 1 |
1 | 0 | 1 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | TOX24205 | COCCCOc1ccnc(CS(=O)c2nc3ccccc3[n-]2)c1C | 1 |
0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | TOX13058 | Nn1cnnc1 | 0 |
0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | null | 0 | TOX5367 | Nc1nnc(N)[nH]1 | 0 |
0 | 0 | 1 | null | 1 | 0 | 0 | 1 | 0 | 0 | 0 | TOX1337 | c1ccc2[nH]c(-c3cscn3)nc2c1 | 0 |
0 | null | 1 | null | 1 | 0 | 0 | 1 | null | null | 1 | TOX26852 | CC(C)OC(=O)Nc1ccc2[nH]c(-c3cscn3)nc2c1 | null |
0 | 0 | 0 | null | 0 | 0 | null | null | null | 1 | 0 | TOX26354 | C=CC[C@@H]1C=C(C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](O)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC | null |
0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | null | 0 | 0 | TOX26674 | CC[C@@H]1C=C(C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](Cl)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC | null |
0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | TOX6064 | Cc1cc(NS(=O)(=O)c2ccc(N)cc2)no1 | 0 |
0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | TOX28970 | CC(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)on2)cc1 | 0 |
0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | TOX29335 | Cn1cnc2ncnc(N)c21 | 0 |
0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | TOX29365 | COc1nc(N)nc2nc[nH]c12 | 0 |
null | null | null | null | null | null | null | null | 0 | null | null | TOX31409 | CCOC(=O)c1cc(=O)c2c(OCC(COc3cccc4oc(C(=O)OCC)cc(=O)c34)OC(=O)[C@@H](N)CCCCN)cccc2o1 | null |
0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | null | 0 | TOX24554 | O=C([O-])c1cc(=O)c2c(OCC(O)COc3cccc4oc(C(=O)[O-])cc(=O)c34)cccc2o1 | 0 |
0 | null | 0 | null | 1 | 1 | null | 0 | 1 | 1 | null | TOX27939 | Oc1ccc(C2(c3ccc(O)cc3)CCCCC2)cc1 | 1 |
0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | TOX26638 | CCC(C)(Oc1ccc(C2(c3ccc(OC(C)(CC)C(=O)O)cc3)CCCCC2)cc1)C(=O)O | 0 |
0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | null | 0 | 0 | TOX26654 | NC(=O)[C@@H]1C[C@]2(NC(=O)NC2=O)c2cc(F)ccc2O1 | null |
0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | TOX3587 | O=C1NC(=O)[C@@]2(CCOc3ccc(F)cc32)N1 | 0 |
0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | null | 0 | 0 | TOX28520 | O=C(Cn1cnnn1)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(CSc3nncs3)CS[C@H]12 | null |
0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | TOX2753 | Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@@H](NC(=O)Cn4cnnn4)[C@H]3SC2)s1 | 1 |
0 | 0 | 1 | null | 1 | 0 | 0 | 1 | 0 | null | 0 | TOX1131 | c1ccc(Nc2ccc3ccccc3c2)cc1 | 1 |
0 | 0 | null | 0 | null | 0 | 0 | 0 | 0 | null | 0 | TOX24787 | O=S(=O)(O)c1cc(O)c2ccc(Nc3ccccc3)cc2c1 | 0 |
0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | TOX223 | CC1CC(=O)O1 | 0 |
0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | null | 0 | TOX3395 | CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)C(CC(C)C)NC=O | 0 |
0 | 0 | null | 0 | 0 | 0 | 0 | 0 | null | 0 | 0 | TOX25443 | CC(=O)OCC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C | null |
0 | 0 | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | TOX2576 | CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C | 0 |
1 | 0 | 0 | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | TOX2584 | CC1(C)S[C@@H]2[C@H](/N=C/N3CCCCCC3)C(=O)N2[C@H]1C(=O)O | 0 |
0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | null | 0 | 0 | TOX25453 | CC(C)(C)C(=O)OCOC(=O)[C@@H]1N2C(=O)[C@@H](N=CN3CCCCCC3)[C@H]2SC1(C)C | null |
0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | null | 0 | 0 | TOX2588 | Nc1nc(N)c2nc(CNc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)cnc2n1 | null |
0 | 0 | 0 | 0 | 0 | 0 | null | 0 | 0 | 0 | 1 | TOX822 | CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1 | null |
0 | 0 | 0 | 0 | null | 0 | 0 | 0 | 0 | 0 | null | TOX24137 | CN1[C@H]2CC[C@@H]1CC(OC(=O)c1c[nH]c3ccccc13)C2 | 0 |
0 | 0 | null | 0 | 0 | 0 | 0 | 0 | null | 0 | 0 | TOX25814 | CI.CN1[C@H]2CC[C@@H]1CC(OC(=O)c1c[nH]c3ccccc13)C2 | null |
null | null | null | null | null | null | null | null | 0 | null | null | TOX31559 | CC(C)C(=O)Nc1cccc(C2CN3CCSC3=N2)c1 | 0 |
0 | 0 | 0 | 0 | 1 | null | 0 | 0 | 0 | null | 0 | TOX27518 | c1ccc([C@H]2CN3CCSC3=N2)cc1 | 0 |
0 | 0 | 0 | 0 | null | 0 | 0 | 0 | 0 | 0 | 0 | TOX26678 | C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3CN[C@H](CNS(N)(=O)=O)C3)[C@H](C)[C@H]12 | 0 |
0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | null | 0 | TOX25526 | C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3CN[C@H](C(=O)N(C)C)C3)[C@H](C)[C@H]12 | 0 |
0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | TOX13401 | O=C(O[C@@H](C(=O)O)[C@@H](OC(=O)c1ccccc1)C(=O)O)c1ccccc1 | 0 |
0 | 0 | 0 | 0 | null | 0 | 0 | 0 | 0 | 0 | 0 | TOX7802 | CC(COC(=O)c1ccccc1)OC(=O)c1ccccc1 | 0 |
0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | TOX3269 | Cc1cc(C)cc(OCC2CNC(=O)O2)c1 | 0 |
0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | TOX3255 | COc1ccccc1OCC1CNC(=O)O1 | 0 |
0 | 0 | 0 | 1 | 0 | 0 | null | 0 | null | null | 0 | TOX3262 | c1ccc2c(c1)Sc1ccccc1N2CC1CN2CCC1CC2 | null |
0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | null | 0 | 0 | TOX28697 | c1ccc2c(c1)Sc1ccccc1N2C[C@@H]1CN2CCC1CC2 | null |
0 | 0 | 0 | null | null | 0 | 0 | 0 | 0 | 1 | 0 | TOX17539 | O=S1OC[C@@H]2[C@H](CO1)[C@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl | 1 |
0 | 0 | 0 | null | null | 0 | 0 | 0 | null | 1 | null | TOX560 | O=S1OCC2C(CO1)C1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl | 1 |
0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | TOX26282 | COC(c1ccccc1)(c1ccccc1)[C@H](Oc1nc(C)cc(C)n1)C(=O)O | 0 |
null | null | null | null | null | null | null | null | null | null | null | TOX31453 | COc1cc(OC)nc(O[C@H](C(=O)O)C(OC)(c2ccccc2)c2ccccc2)n1 | 0 |
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