Index SMILES AR AR-LBD AhR Aromatase ER ER-LBD PPAR-gamma ARE ATAD5 HSE p53 Compound_1 CCOC(=O)CC(=O)OCC 0.817 0.047 0.526 0.652 0.081 0.056 0.878 0.833 0.478 0.881 0.918 Compound_2 CCOC(=O)CC(=O)CCl 0.799 0.103 0.268 0.719 0.464 0.175 0.999 0.989 0.511 0.982 0.967 Compound_3 CCOC(=O)CC#N 0.845 0.128 0.373 0.668 0.149 0.031 0.986 0.97 0.421 0.317 0.95 Compound_4 CCOC(=O)CBr 0.832 0.064 0.577 0.712 0.512 0.101 0.986 0.947 0.363 0.997 0.965 Compound_5 CCOC(=O)C1=NN(C(=O)C1)c1ccccc1 0.665 0.39 0.88 0.618 0.161 0.321 0.893 0.127 0.403 0.017 0.449 Compound_6 CCOC(=O)c1nn(c(n1)C(Cl)(Cl)Cl)c1ccc(cc1Cl)Cl 0.394 0.611 0.447 0.582 0.537 0.686 0.963 0.928 0.14 0.076 0.918 Compound_7 CCOC(=O)c1ccc(nc1)C#Cc1ccc2c(c1)C(C)(C)CCS2 0.372 0.695 0.919 0.716 0.691 0.706 0.089 0.599 0.293 0.408 0.525 Compound_8 CCOC(=O)c1ccccc1C(=C1C=C(Br)C(=O)C(=C1)Br)c1cc(Br)c(c(c1)Br)O 0.952 0.503 0.969 0.689 0.712 0.681 0.997 0.995 0.362 0.992 0.979 Compound_9 CCOC(=O)c1ccc(cc1)N(C)C 0.548 0.744 0.997 0.645 0.072 0.891 0.915 0.043 0.653 0.038 0.638 Compound_10 CCOC(=O)c1cc(nc2c1cc(C)cc2)c1ccccc1 0.514 0.671 0.998 0.821 0.939 0.938 0.996 0.891 0.535 0.039 0.946 Compound_11 NCCOCC1=C(C(=O)OCC)C(C(=C(N1)C)C(=O)OC)c1ccccc1Cl 0.818 0.658 0.449 0.746 0.905 0.417 0.053 0.036 0.446 0.756 0.918 Compound_12 CCOC(=O)C1=C(C)NC(=C(C1c1ccccc1/C=C/C(=O)OC(C)(C)C)C(=O)OCC)C 0.702 0.887 0.893 0.753 0.541 0.898 0.939 0.895 0.521 0.282 0.937 Compound_13 CCOC(=O)[C@@H](N[C@H]1CCc2c(N(C1=O)CC(=O)O)cccc2)CCc1ccccc1 0.952 0.762 0.064 0.242 0.6 0.241 0.335 0.027 0.156 0.932 0.369 Compound_14 CCOC(=O)/C=C/c1ccccc1 0.973 0.228 0.93 0.816 0.217 0.425 0.997 0.937 0.414 0.975 0.598 Compound_15 CCO[Si](CCC1CCC2C(C1)O2)(OCC)OCC 0.97 0.262 0.173 0.501 0.492 0.206 0.994 0.599 0.341 0.998 0.68 Compound_16 CCO[C@H](C(=O)O)Cc1ccc(cc1)OCCc1ccc(cc1)OS(=O)(=O)C 0.357 0.616 0.258 0.466 0.093 0.662 0.955 0.204 0.247 0.561 0.367 Compound_17 CCNc1nc(NCC)nc(n1)SC 0.894 0.12 0.734 0.4 0.039 0.046 0.001 0.023 0.699 0.862 0.471 Compound_18 CCNc1nc(N)nc(n1)Cl 0.239 0.161 0.657 0.447 0.02 0.022 0.0 0.132 0.775 0.092 0.081 Compound_19 CCNc1ccccc1 0.631 0.206 0.912 0.469 0.08 0.064 0.023 0.15 0.659 0.944 0.415 Compound_20 CCNc1cccc(c1)C 0.413 0.219 0.936 0.478 0.033 0.051 0.037 0.146 0.691 0.916 0.342 Compound_21 CCNC(=S)NCC 0.071 0.087 0.153 0.369 0.012 0.033 0.001 0.332 0.819 0.995 0.427 Compound_22 CCN1CCOCC1 0.087 0.267 0.043 0.085 0.007 0.007 0.006 0.083 0.235 0.656 0.135 Compound_23 CCn1c2ccc(cc2c2c1cccc2)N(=O)=O 0.952 0.653 0.94 0.576 0.518 0.872 0.986 0.947 0.425 0.993 0.918 Compound_24 CC[n+]1c(/C=C/C=c/2\ccc3c(n2CC)cccc3)ccc2c1cccc2 0.667 0.669 0.709 0.734 0.846 0.91 0.209 0.939 0.872 0.189 0.847 Compound_25 CCN(c1ccccc1)Cc1cccc(c1)S(=O)(=O)O 0.249 0.415 0.545 0.355 0.5 0.633 0.621 0.454 0.195 0.421 0.382