Index SMILES AR AR-LBD AhR Aromatase ER ER-LBD PPAR-gamma ARE ATAD5 HSE p53 Compound_1 Nc1ccc2c(c1)nc1c(c2)ccc(c1)N 0.952 0.895 0.986 0.766 0.956 0.898 0.958 0.973 0.866 0.945 0.918 Compound_2 OCCN(c1nc(Nc2ccc(c(c2)S(=O)(=O)[O-])/C=C/c2ccc(cc2S(=O)(=O)[O-])Nc2nc(Nc3ccc(cc3)S(=O)(=O)[O-])nc(n2)N(CCO)CCO)nc(n1)Nc1ccc(cc1)S(=O)(=O)[O-])CCO 0.952 0.444 0.258 0.366 0.905 0.679 0.974 0.772 0.417 0.203 0.918 Compound_3 OC(c1ccc(cc1)Cl)/C=C/C(=O)[O-] 0.539 0.234 0.457 0.477 0.655 0.509 0.91 0.296 0.583 0.652 0.714 Compound_4 Oc1cc(O)c2c(c1)oc(c(c2=O)O)c1ccc(c(c1)O)O 0.803 0.89 0.984 0.868 0.929 0.875 0.925 0.988 0.226 0.011 0.645 Compound_5 [O-]C(=O)Cc1cccc(c1N)C(=O)c1ccc(cc1)Br 0.338 0.41 0.616 0.488 0.267 0.647 0.996 0.478 0.469 0.201 0.087 Compound_6 Nc1cc(cc2c1c(O)cc(c2)S(=O)(=O)[O-])S(=O)(=O)O 0.706 0.239 0.996 0.528 0.685 0.691 0.698 0.947 0.497 0.21 0.831 Compound_7 COc1cc2c(cc1OC)CC[N+]([C@@H]2Cc1cc(OC)c(c(c1)OC)OC)(C)CCCOC(=O)CC/C=C/CCC(=O)OCCC[N+]1(C)CCc2c([C@H]1Cc1cc(OC)c(c(c1)OC)OC)cc(c(c2)OC)OC 0.279 0.804 0.195 0.841 0.717 0.89 0.759 0.882 0.584 0.519 0.554