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 | null | 0 | null | null | null | null | null | 1 | 1 | 1 | TOX1247 | N=C1C=CC(=C(c2ccc(N)cc2)c2ccc(N)cc2)C=C1 | 1 |
0 | 0 | 0 | null | 0 | 0 | 0 | 0 | 0 | 1 | 0 | TOX1246 | Cc1cc(C(=C2C=CC(=N)C=C2)c2ccc(N)cc2)ccc1N | null |
0 | 0 | 0 | 0 | null | null | 0 | 0 | 0 | null | 0 | TOX24982 | CN(C1CCCCC1)S(=O)(=O)c1ccccc1N | 0 |
0 | 0 | 0 | null | null | 0 | 0 | 0 | 0 | 1 | 0 | TOX4885 | Cc1ccc(S(=O)(=O)NC2CCCCC2)cc1 | 0 |
0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | TOX26912 | CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1C(=O)N(C)C[C@H]1C(=O)O | 0 |
null | null | null | null | null | null | null | null | 0 | null | null | TOX31639 | CC(NC(CCc1ccccc1)C(=O)O)C(=O)N1C(=O)N(C)CC1C(=O)O | 0 |
0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | TOX841 | COc1ccc([C@@H]2CC(=O)c3c(O)cc(O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)cc3O2)cc1OC | 0 |
0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | null | 0 | 0 | TOX24328 | COc1ccc([C@@H]2CC(=O)c3c(O)cc(O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)cc3O2)cc1O | null |
0 | 0 | 1 | 1 | null | null | 0 | 0 | 0 | 0 | 0 | TOX3897 | CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1 | 0 |
0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | TOX12493 | CC(C)(C)C(O)C(Oc1ccc(Cl)cc1)n1cncn1 | 0 |
null | null | null | null | null | null | null | null | 0 | null | null | TOX31536 | Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Cl | 0 |
null | null | null | null | null | null | null | null | 0 | null | null | TOX31452 | Cc1onc(-c2ccccc2)c1C(=O)Cl | 0 |
0 | null | 0 | null | null | null | 0 | 0 | 0 | 1 | 0 | TOX453 | ClC1=C(Cl)[C@]2(Cl)[C@@H]3[C@@H]4C[C@H]([C@@H]3[C@@]1(Cl)C2(Cl)Cl)[C@H]1O[C@@H]41 | null |
0 | 0 | 0 | 1 | null | 0 | 0 | 0 | null | 1 | 0 | TOX561 | ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@H]([C@@H]4C[C@H]3[C@H]3O[C@@H]43)[C@@]1(Cl)C2(Cl)Cl | null |
1 | 1 | 0 | null | 1 | 1 | 0 | 0 | 0 | 0 | 0 | TOX4523 | C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CCC2=O | 0 |
1 | 1 | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | TOX14113 | C[C@]12CC[C@H]3[C@@H](CCC4=C(O)C(=O)CC[C@@]43C)[C@@H]1CCC2=O | 0 |
0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | TOX3519 | CC(C)[N+](C)(CCOC(=O)C1c2ccccc2Oc2ccccc21)C(C)C | 0 |
0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | null | TOX3277 | CC[N+](C)(CC)CCOC(=O)C1c2ccccc2Oc2ccccc21 | 0 |
0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | null | 0 | 0 | TOX28935 | CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1 | null |
null | null | null | null | null | null | null | null | 0 | null | null | TOX31517 | CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1 | 0 |
0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | TOX25878 | O=C(O)c1cc(=O)c2ccccc2o1 | null |
null | null | null | null | null | null | null | null | 0 | null | null | TOX31634 | Cc1coc2ccccc2c1=O | 0 |
0 | 1 | 0 | 1 | null | null | 1 | 0 | 0 | null | 1 | TOX25701 | N[C@H]1[C@@H]2CN(c3nc4c(cc3F)c(=O)c(C(=O)O)cn4-c3ccc(F)cc3F)C[C@H]12 | 1 |
null | null | null | null | null | null | null | null | 0 | null | null | TOX31444 | C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@]1(C)[C@@H]2CN(c3nc4c(cc3F)c(=O)c(C(=O)O)cn4-c3ccc(F)cc3F)C[C@@H]21 | 1 |
0 | 0 | null | 1 | null | 1 | 0 | 0 | 0 | 0 | 0 | TOX22220 | OC(c1ccc(F)cc1)(c1cncnc1)c1ccccc1Cl | 0 |
0 | 0 | 0 | 1 | 1 | 1 | null | 0 | 0 | 1 | 0 | TOX12390 | OC(c1ccc(Cl)cc1)(c1cncnc1)c1ccccc1Cl | 1 |
0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | TOX2858 | CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C | 0 |
1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | TOX2857 | C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO | 0 |
0 | 0 | 0 | 0 | 0 | 0 | 0 | null | null | 1 | 0 | TOX2938 | CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2/C(=C/C=C3\C[C@@H](O)CC[C@@H]3C)CCC[C@@]21C | null |
0 | 0 | 0 | 0 | null | 0 | 0 | 0 | null | 1 | 0 | TOX28566 | C[C@@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2/C(=C/C=C3C[C@@H](O)C[C@H](O)C3)CCC[C@@]21C)C(C)(C)O | null |
0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | TOX820 | Cn1cc[nH]c1=S | 0 |
0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | TOX2736 | CCOC(=O)n1ccn(C)c1=S | 0 |
0 | 0 | 1 | null | 1 | 0 | 0 | 0 | 1 | 1 | 0 | TOX825 | COc1cc2c(cc1N)oc1ccccc12 | 0 |
0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | TOX1993 | c1ccc2c(c1)oc1ccccc12 | 0 |
0 | 0 | 0 | null | 0 | 0 | null | 0 | 0 | 1 | 0 | TOX28706 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(O)c3cc(Cl)ccc32)c(C)c1 | 0 |
null | null | null | null | null | null | null | null | 0 | null | null | TOX31430 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(N(C)C)c3ccccc32)cc1 | 0 |
0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | TOX122 | COP(=S)(OC)SCn1nnc2ccccc2c1=O | 1 |
0 | 0 | null | null | null | null | 0 | 0 | 0 | null | 0 | TOX17498 | CCOP(=S)(OCC)SCn1nnc2ccccc2c1=O | 1 |
0 | null | 0 | null | null | 0 | null | null | null | 1 | null | TOX15708 | Cc1cc(OCCOCC[N+](C)(C)Cc2ccccc2)ccc1C(C)(C)CC(C)(C)C | 1 |
0 | null | 0 | null | null | 0 | 0 | null | null | 1 | null | TOX3810 | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 | 1 |
null | 0 | 1 | null | 1 | 0 | null | 1 | null | null | null | TOX4501 | Cc1ccc2nc(-c3ccc(N)cc3)sc2c1S(=O)(=O)O | null |
0 | null | 1 | null | null | 0 | null | null | null | null | null | TOX26237 | CCN(CC)CCOc1ccc(-c2nc3cc(Cl)ccc3s2)cc1 | null |
0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | null | 0 | 0 | TOX2659 | CN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccccc1)c1ccccc1)C2 | null |
0 | 0 | null | null | null | 0 | null | null | null | null | 1 | TOX23897 | CN1C2CCC1CC(OC(c1ccccc1)c1ccc(Cl)cc1)C2 | null |
0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | TOX28918 | CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCNC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 0 |
0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | null | 0 | 0 | TOX28503 | CCC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | null |
0 | 0 | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | TOX14864 | CCCOc1nn(C(=O)[N-]S(=O)(=O)c2ccccc2C(=O)OC)c(=O)n1C | 0 |
0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | TOX14614 | COc1nn(C(=O)[N-]S(=O)(=O)c2ccccc2OC(F)(F)F)c(=O)n1C | 0 |
0 | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | TOX3059 | Nc1nc(=O)[nH]cc1F | 0 |
0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | TOX24456 | Nc1cc[nH]c(=O)n1 | 0 |
0 | 0 | 0 | 0 | 0 | 0 | null | 0 | 0 | 0 | 0 | TOX21097 | CCC(C)N(C)C(=O)c1cc2ccccc2c(-c2ccccc2Cl)n1 | null |
0 | 0 | 1 | null | null | 0 | 0 | null | null | 0 | 0 | TOX26213 | CCOc1cc(-c2nccc3cc(OC)c(OC)cc23)cc(OCC)c1OCC | null |
0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | TOX28725 | CCOC(=O)c1ccc(OCCN2C[C@H](O)[C@@H](O)[C@H](O)[C@H]2CO)cc1 | 0 |
null | null | null | null | null | null | null | null | 0 | null | null | TOX31630 | O=C(O)c1ccc(OCCN2CCCCC2)cc1 | 0 |
0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | TOX26273 | Cc1ccc(S(=O)(=O)NC(=O)NC2CCCCC2)cc1 | 0 |
0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | TOX7 | CC(=O)c1ccc(S(=O)(=O)NC(=O)NC2CCCCC2)cc1 | 0 |
0 | 0 | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | TOX141 | c1ccc2occc2c1 | 0 |
0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | TOX27121 | O=Cc1cc2ccccc2o1 | 0 |
0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | TOX3736 | CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@H](CC[C@@]4(C)[C@H]3C[C@H]([N+]3(C)CCCCC3)[C@@H]4OC(C)=O)[C@@]2(C)C[C@@H]1N1CCCCC1 | null |
0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | null | 0 | TOX28749 | C=CC[N+]1([C@H]2C[C@H]3[C@@H]4CC[C@H]5C[C@H](OC(C)=O)[C@@H](N6CCCCC6)C[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2OC(=O)CC)CCCCC1 | 0 |
0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | null | 0 | TOX24925 | O=C(C(=O)c1ccc(Br)cc1)c1ccc(Br)cc1 | 0 |
0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | null | 0 | TOX24380 | O=C(C(=O)c1ccccc1)c1ccccc1 | 0 |
0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | TOX1774 | c1cc2c3c(cccc3c1)CC2 | 0 |
0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | TOX960 | O=[N+]([O-])c1ccc2c3c(cccc13)CC2 | null |
0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | TOX1777 | Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)CO)c2cc1C | 0 |
1 | null | 0 | 0 | null | 0 | 0 | null | 0 | 1 | null | TOX26892 | CCCC(=O)OC[C@@H](OC(=O)CCC)[C@@H](OC(=O)CCC)[C@H](Cn1c2nc(=O)[nH]c(=O)c-2nc2cc(C)c(C)cc21)OC(=O)CCC | null |
0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | null | 0 | 0 | TOX25749 | Nc1cc(Cl)c(NC2=NCCN2)c(Cl)c1 | null |
0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | null | 0 | 0 | TOX2571 | C=CCN(C1=NCCN1)c1c(Cl)cccc1Cl | null |
0 | 0 | null | 0 | 0 | 0 | 0 | 0 | 0 | null | 0 | TOX2603 | Nc1cc(-c2ccncc2)c[nH]c1=O | null |
0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | TOX3324 | Cc1[nH]c(=O)c(C#N)cc1-c1ccncc1 | 0 |
0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | TOX21719 | CC1=NN(c2cc(Cl)c(S(=O)(=O)[O-])cc2Cl)C(=O)C1/N=N/c1ccc(S(=O)(=O)[O-])cc1 | 0 |
0 | 0 | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | TOX21646 | CC1=NN(c2cc(S(=O)(=O)[O-])ccc2Cl)C(=O)C1/N=N/c1ccccc1 | 0 |
0 | 0 | null | null | null | 0 | 0 | 1 | 0 | null | 0 | TOX3030 | CCc1cc2c(s1)-n1c(C)nnc1CN=C2c1ccccc1Cl | 0 |
0 | 0 | 0 | null | null | 0 | 0 | 1 | null | null | 0 | TOX2692 | Cc1nnc2n1-c1sc(Br)cc1C(c1ccccc1Cl)=NC2 | null |
null | null | null | null | null | null | null | null | 0 | null | null | TOX31483 | COc1cc2nc(Cl)nc(N)c2cc1OC | 0 |
0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | null | 0 | 0 | TOX26232 | CCc1ncnc2cc(OC)c(OC)cc12 | null |
0 | 0 | 0 | 1 | null | 0 | 0 | 0 | 0 | 1 | 0 | TOX21506 | Oc1ccc(Cl)cc1C1CCCC1 | 1 |
0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | null | 0 | TOX2734 | CCN(CC)CCOCCOC(=O)C1(c2ccccc2)CCCC1 | 0 |
0 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | TOX17272 | Nc1c2c(nc3ccccc13)CCCC2 | 0 |
0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | TOX25158 | Nc1c2c(nc3ccccc13)CCCC2O | 0 |
0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | TOX3718 | Cc1ccc(/C(=C\CN2CCCC2)c2ccccn2)cc1 | 0 |
0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | null | null | 0 | TOX2555 | Cc1ccc(/C(=C\CN2CCCC2)c2cccc(/C=C/C(=O)O)n2)cc1 | null |
1 | 1 | 0 | 0 | 1 | 1 | 0 | 0 | null | null | 0 | TOX2998 | C[C@]12CC[C@@H]3c4ccc(OC(=O)c5ccccc5)cc4CC[C@H]3[C@@H]1CC[C@@H]2O | null |
null | null | null | null | null | null | null | null | 0 | null | null | TOX31486 | CC(=O)O[C@@H]1CC2C3CCc4cc(OC(=O)c5ccccc5)ccc4C3CCC2(C)[C@H]1OC(C)=O | 0 |
0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | TOX24908 | CC1(C)C(O)C(C)(C)C1O | 0 |
null | null | null | null | null | null | null | null | 0 | null | null | TOX31514 | O=C(O)C1CCC1 | 0 |
1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | TOX25099 | CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)C(O)c1ccccc1)C2 | 0 |
1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | TOX113 | CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)C(CO)c1ccccc1)C2 | 0 |
0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 1 | 0 | TOX4104 | c1ccc2c(c1)-c1cccc3cccc-2c13 | 0 |
0 | null | 1 | null | 1 | null | null | 0 | null | null | null | TOX29116 | Nc1ccc2c3c(cccc13)-c1ccccc1-2 | null |
0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | null | 0 | 0 | TOX26552 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | null |
0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | null | 0 | 0 | TOX28917 | CCOc1ccc(C[C@H]2NC(=O)CCSSC[C@@H](C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]([C@@H](C)CC)NC2=O)cc1 | null |
1 | 1 | 0 | null | 1 | 1 | 0 | 0 | 0 | 1 | 0 | TOX2364 | C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O | 1 |
1 | 1 | null | null | 1 | 1 | 0 | 0 | null | null | 0 | TOX28899 | C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O | null |
0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | TOX25195 | CCCN(CCC)CCc1cccc2c1CC(=O)N2 | 0 |
null | null | null | null | null | null | null | null | 0 | null | null | TOX31456 | O=C1Cc2cc(Cl)ccc2N1 | 1 |
0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | TOX25193 | Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2 | null |
0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | TOX28985 | Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCC[C@H]2O | 0 |
1 | 0 | 1 | null | 1 | 1 | 0 | 1 | 0 | 1 | 0 | TOX3902 | c1ccc2cc3c(ccc4ccccc43)cc2c1 | 1 |
0 | 0 | 1 | 1 | 1 | null | 1 | 0 | 1 | null | 1 | TOX510 | Cc1c2ccccc2c(C)c2c1ccc1ccccc12 | 1 |
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