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 ⌀ |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
1 | 1 | 0 | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | TOX20750 | C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO | 0 |
1 | 1 | 0 | null | 0 | 0 | 0 | 0 | null | null | 0 | TOX26773 | CCCC(=O)O[C@]1(C(=O)COC(C)=O)CC[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C | null |
1 | 1 | 0 | null | 1 | 0 | 0 | 0 | 0 | 0 | 0 | TOX27429 | C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COP(=O)([O-])[O-] | 0 |
1 | 1 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | TOX27137 | C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COP(=O)([O-])[O-] | 0 |
1 | 1 | null | null | 0 | null | null | 0 | null | 1 | 0 | TOX28656 | CCC(=O)OCC(=O)[C@@]1(OC(=O)CC)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@@]21C | null |
1 | 1 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | TOX384 | C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO | 0 |
1 | 1 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | TOX25647 | C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@H]1C(=O)CO | null |
1 | 1 | 0 | null | 0 | 0 | 0 | 0 | null | 0 | 0 | TOX25460 | C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@H]1C(=O)COC(=O)C(C)(C)C | null |
1 | 0 | 0 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | TOX28639 | CC(=O)OCC(=O)[C@@]1(O)[C@H](OC(C)=O)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C | 0 |
1 | 1 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | TOX28524 | CCCCC(=O)OCC(=O)[C@H]1[C@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C | 0 |
null | null | null | null | null | null | null | null | 0 | null | null | TOX31420 | CCC(=O)O[C@]1(C(=O)COC)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3(F)[C@@H](O)C[C@@]21C | 0 |
1 | 1 | 1 | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | TOX2667 | C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO | 0 |
1 | 1 | null | null | 0 | 0 | null | 0 | null | null | 0 | TOX25502 | CCOC(=O)O[C@]1(C(=O)COC(=O)CC)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C | null |
1 | 1 | null | null | 0 | null | null | 0 | null | 1 | 0 | TOX26636 | CCC(=O)O[C@]1(C(=O)CCl)[C@@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C | null |
1 | 1 | 0 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | TOX26067 | C[C@]12C[C@H](O)[C@H]3[C@@H](C[C@H](F)C4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO | 0 |
1 | 1 | null | null | 0 | 0 | 0 | 0 | null | 1 | 0 | TOX28931 | C[C@@H]1C[C@H]2C3C[C@H](F)C4=CC(=O)C=CC4(C)[C@@]3(F)[C@@H](O)CC2(C)[C@@]1(O)C(=O)COC(=O)C(C)(C)C | null |
1 | 1 | null | null | null | 0 | 0 | null | null | 0 | 0 | TOX28890 | C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)O | null |
1 | 1 | 0 | null | 1 | 0 | 0 | 0 | 0 | 0 | 0 | TOX20742 | C[C@]12C[C@H](O)[C@@]3(F)[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1C[C@@H](O)[C@]2(O)C(=O)CO | 0 |
1 | 1 | 0 | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | TOX3300 | C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)C=CC(=O)C=C12 | 0 |
1 | 1 | 0 | null | 1 | 0 | 0 | 0 | null | 0 | 0 | TOX3302 | CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C | null |
1 | 1 | 0 | null | null | 0 | 0 | 0 | null | 0 | 0 | TOX3303 | C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)COC(=O)CCC(=O)[O-])[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)C=CC(=O)C=C12 | null |
1 | 1 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | TOX25306 | CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C | 0 |
1 | 1 | 0 | null | 0 | 0 | 0 | null | 0 | 0 | 0 | TOX25365 | C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO | 0 |
1 | 1 | 0 | null | 0 | 0 | 0 | 0 | 0 | null | 0 | TOX27435 | CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C | 0 |
1 | 1 | null | null | null | 0 | 0 | 0 | 0 | 1 | 0 | TOX25646 | CC(=O)OCC(=O)[C@@]1(OC(C)=O)[C@@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C | 0 |
1 | 1 | 0 | null | 0 | 0 | 0 | 0 | 0 | null | 0 | TOX26460 | C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C(Cl)=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO | 0 |
1 | 0 | null | null | null | null | 0 | 0 | 0 | 0 | null | TOX25474 | COC(=O)[C@@]1(C)[C@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C | 1 |
1 | 1 | 0 | null | 1 | 1 | 0 | 0 | 0 | 0 | null | TOX3276 | C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O | 1 |
null | null | null | null | null | null | null | null | 0 | null | null | TOX31414 | CC(C)=CCC/C(C)=C/CC/C(C)=C/C(=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 | null |
null | null | null | null | null | null | null | null | 0 | null | null | TOX26468 | CCOC(=O)O[C@]1(C(=O)OCCl)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C | 1 |
1 | 1 | 1 | null | 0 | 0 | 0 | 0 | 0 | 1 | 0 | TOX25907 | CCC(=O)O[C@]1(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 | null |
1 | 1 | null | null | null | 0 | null | 0 | 0 | 1 | 0 | TOX2673 | 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 | null |
1 | 1 | null | null | 0 | 0 | null | 0 | null | 1 | 0 | TOX2671 | CCCC(=O)O[C@]1(C(=O)COC(=O)CC)[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 | null |
1 | 1 | null | null | 0 | 0 | 0 | 0 | null | 0 | 0 | TOX3422 | CC(=O)OCC(=O)[C@@]1(O)[C@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C | null |
1 | 1 | 0 | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | TOX1184 | C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO | 0 |
1 | 0 | null | null | 0 | 0 | 0 | 0 | 0 | 1 | 0 | TOX25511 | CCC(=O)O[C@]1(C(=O)SCF)[C@H](C)C[C@H]2C3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C | 0 |
0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | TOX161 | c1ccc(-c2ccccc2)cc1 | 0 |
0 | null | null | null | 0 | 0 | 0 | 0 | 0 | null | 0 | TOX3043 | O=C(O)CCC(=O)c1ccc(-c2ccccc2)cc1 | 0 |
0 | 0 | 1 | 1 | 0 | 0 | 0 | 1 | 0 | 1 | 0 | TOX137 | Nc1ccc(-c2ccc(N)cc2)cc1 | 1 |
0 | 0 | 0 | 0 | null | 0 | null | 0 | 0 | 0 | 0 | TOX10189 | Nc1ccccc1-c1ccccc1 | 0 |
0 | 0 | 0 | 0 | 0 | null | 0 | 0 | 0 | null | 0 | TOX3883 | Clc1cccc(-c2cc(Cl)cc(Cl)c2)c1 | 0 |
0 | 0 | 1 | 0 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | TOX511 | Cc1cc(-c2ccc(N)c(C)c2)ccc1N | 1 |
0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | TOX27177 | Cc1ccc(-c2ccccc2)cc1 | 0 |
0 | 0 | 1 | null | 1 | 0 | 0 | 0 | 0 | 0 | 0 | TOX72 | Nc1ccc(-c2ccccc2)cc1 | 1 |
null | null | null | null | null | null | null | null | 0 | null | null | TOX31569 | C#Cc1ccc(-c2ccccc2F)cc1 | 0 |
0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | TOX5404 | CCCCCCc1ccc(-c2ccc(C#N)cc2)cc1 | 0 |
0 | 0 | 0 | 0 | null | 0 | 0 | 0 | 0 | 0 | 0 | TOX5746 | O=[N+]([O-])c1ccccc1-c1ccccc1 | 0 |
0 | 0 | 0 | null | 1 | 1 | 0 | 1 | 0 | null | 0 | TOX1152 | Oc1ccc(-c2ccccc2)cc1 | 1 |
0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | TOX1151 | Oc1ccccc1-c1ccccc1 | 0 |
0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | null | 0 | TOX12180 | Clc1cc(Cl)c(-c2cc(Cl)c(Cl)cc2Cl)cc1Cl | 0 |
0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | null | 0 | TOX1174 | Brc1cc(-c2ccc(Br)c(Br)c2Br)cc(Br)c1Br | 0 |
0 | 0 | 1 | 0 | null | 0 | null | null | 0 | null | 0 | TOX12525 | COc1ccc(-c2ccccc2)cc1NNC(=O)OC(C)C | 1 |
0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 0 | TOX5091 | COc1cc(-c2ccc(N)c(OC)c2)ccc1N | 1 |
0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | TOX4640 | Brc1ccc(-c2ccccc2)cc1 | 0 |
0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | TOX27728 | Fc1ccccc1-c1ccccc1 | 0 |
0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | null | 0 | TOX6120 | Cc1cc(-c2cc(C)c(N)c(C)c2)cc(C)c1N | 0 |
0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | TOX484 | COc1cc(-c2ccc(N=C=O)c(OC)c2)ccc1N=C=O | 0 |
0 | 0 | 0 | null | 1 | 1 | 0 | 0 | 0 | 1 | null | TOX24533 | Clc1ccccc1-c1ccccc1Cl | 0 |
0 | null | 1 | 1 | null | 0 | null | 1 | 1 | 1 | 1 | TOX1314 | Nc1cc(Cl)c(-c2cc(Cl)c(N)cc2Cl)cc1Cl | 1 |
0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | null | 1 | 0 | TOX1312 | Nc1ccc(-c2ccc(N)c(N)c2)cc1N | 1 |
0 | 0 | 0 | null | 1 | 1 | null | 1 | 0 | 1 | 1 | TOX9120 | Oc1ccc(-c2ccc(O)cc2)cc1 | 1 |
0 | 0 | 0 | 0 | 1 | 0 | null | 0 | 0 | 0 | 0 | TOX17231 | CC(C(=O)O)c1ccc(-c2ccccc2)c(F)c1 | 0 |
0 | 0 | null | 0 | 0 | 0 | 1 | 0 | null | 0 | 0 | TOX26160 | CCOC(=O)Cc1ccc(-c2ccccc2)cc1 | null |
0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | null | 0 | TOX26081 | Cc1cc(OI)c(C(C)C)cc1-c1cc(C(C)C)c(OI)cc1C | 0 |
0 | null | 0 | 0 | 0 | 0 | null | 0 | 0 | null | 0 | TOX2932 | O=C(O)c1cc(-c2ccc(F)cc2F)ccc1O | null |
1 | 0 | 1 | 1 | 1 | 1 | 0 | 1 | null | null | 1 | TOX433 | Nc1ccc(-c2ccc(N)c(Cl)c2)cc1Cl | 1 |
0 | 0 | 1 | null | 1 | 0 | 0 | null | 0 | null | 0 | TOX631 | Nc1ccc(-c2ccc(F)cc2)cc1 | null |
null | 0 | 0 | null | null | 0 | 0 | 0 | 0 | null | 0 | TOX4639 | Brc1cccc(-c2ccccc2)c1 | 0 |
0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | TOX4638 | Brc1ccccc1-c1ccccc1 | 0 |
0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | TOX25389 | O=C(O)Cc1ccc(-c2ccccc2)cc1 | 0 |
null | null | null | null | null | null | null | null | 0 | null | null | TOX31412 | Cc1ccc(-c2ccccc2C#N)cc1 | 0 |
0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | null | 0 | TOX28168 | CC(C)(C)c1ccc(-c2ccc(C(C)(C)C)cc2)cc1 | 0 |
0 | 0 | null | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | TOX26565 | O=C(O)c1ccccc1-c1ccc(C(F)(F)F)cc1 | 0 |
0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | TOX20794 | [O-]c1ccccc1-c1ccccc1 | 1 |
1 | 0 | null | 0 | 1 | null | 0 | 0 | 0 | 1 | null | TOX2353 | Oc1ccc(-c2ccccc2)c(Cl)c1 | 1 |
0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | TOX28526 | CC(=O)OC(C)OC(=O)C(C)c1ccc(-c2ccccc2)c(F)c1 | 0 |
0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | TOX27072 | CC1=CC(O)CC(C)(C)C1 | 0 |
0 | 0 | 0 | 0 | null | 0 | 0 | 0 | 0 | 0 | 0 | TOX27078 | C=C(C)[C@@H]1CC=C(C)CC1 | 0 |
0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | TOX27088 | CC1=C(CC=O)C(C)(C)CCC1 | 0 |
0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | TOX1769 | CC(=O)/C=C/C1=C(C)CCCC1(C)C | 0 |
0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | TOX6240 | CCC(=O)/C=C/C1C(C)=CCCC1(C)C | 0 |
0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | TOX27142 | CC1=C(C=O)C(C)(C)CCC1 | 0 |
0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | null | 0 | TOX7970 | CC(C)(O)CCCC1=CCC(C=O)CC1 | null |
0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | TOX27952 | CC(=O)C=CC1=C(C)CCCC1(C)C | 0 |
0 | 0 | 0 | 0 | null | 0 | 0 | 0 | 0 | 0 | 0 | TOX24833 | CCC(=O)OC(C)(C)C1CC=C(C)CC1 | 0 |
0 | 0 | 0 | 0 | null | 0 | 0 | 0 | 0 | 0 | 0 | TOX15160 | CC(=O)/C=C/C1C(C)=CCCC1(C)C | 0 |
0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | TOX27422 | CCC(=O)C1CC(C(C)C)CC=C1C | 0 |
0 | 0 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | TOX24600 | OCC1CC=CCC1 | 0 |
0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | TOX6496 | CC(=O)OC(C)(C)C1CC=C(C)CC1 | 0 |
0 | 0 | 0 | null | null | 0 | 1 | 0 | 0 | null | 0 | TOX20404 | CC1=C(/C=C/C(C)=C\C=C/C(C)=C/C(=O)O)C(C)(C)CCC1 | null |
0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | null | 0 | 0 | TOX25954 | CCOC(=O)C1=C[C@@H](OC(CC)CC)[C@H](NC(C)=O)[C@@H](N)C1 | null |
0 | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | TOX7047 | CC(=O)/C(C)=C/C1C(C)=CCCC1(C)C | 0 |
0 | 0 | 0 | null | 0 | 0 | 0 | 0 | 0 | null | 0 | TOX22094 | CC(C)=CCC[C@](C)(O)[C@@H]1CC=C(C)CC1 | 0 |
0 | null | 0 | null | null | 1 | null | null | null | null | null | TOX5998 | CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=O)C(C)(C)CCC1 | null |
0 | 0 | 0 | 1 | 0 | 1 | null | 0 | null | 1 | null | TOX5997 | CC1=C(/C=C/C(C)=C/C=C/C(C)=C\C=O)C(C)(C)CCC1 | null |
0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | TOX27042 | CC(=O)/C=C/C1C(C)=CCC(C)C1(C)C | 0 |
0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | TOX21190 | C=C(C)[C@@H]1CC=C(C=O)CC1 | null |
0 | 0 | 0 | 0 | null | 0 | 0 | 0 | 0 | 0 | 0 | TOX24574 | CC1=CC(C)C(C=O)CC1 | 0 |
0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | TOX4738 | C=C(C)C1CC=C(C)C(OC(C)=O)C1 | 0 |
0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | TOX4736 | C=C(C)C1CC=C(C)C(O)C1 | 0 |
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