Index SMILES AR AR-LBD AhR Aromatase ER ER-LBD PPAR-gamma ARE ATAD5 HSE p53 Compound_1 ClCC(OC(CCl)CCl)CCl 0.916 0.096 0.407 0.624 0.226 0.403 0.995 0.998 0.834 0.996 0.994 Compound_2 CC(=C)C1CCC2(C1CCC1(C2CCC2C1(C)CCC1C2(C)CCCC1(C)C)C)C 0.992 0.621 0.369 0.553 0.946 0.695 0.689 0.984 0.809 0.999 0.878 Compound_3 CC(=O)OCC#C 0.856 0.149 0.318 0.561 0.059 0.084 0.998 0.443 0.384 0.853 0.712 Compound_4 CCC(CO)C 0.636 0.061 0.056 0.494 0.02 0.011 0.952 0.031 0.348 0.535 0.569 Compound_5 CCCCCCCCCCCCCCCCCCCCCCCCCCC(C)C 0.993 0.074 0.763 0.557 0.142 0.121 0.999 0.882 0.603 1.0 0.851 Compound_6 C=C1c2ccccc2c2c1cccc2 0.992 0.73 0.911 0.748 0.308 0.416 0.936 0.98 0.923 0.999 0.971 Compound_7 CCCC=NO 0.674 0.135 0.445 0.54 0.045 0.056 0.075 0.681 0.453 0.904 0.754 Compound_8 CCOC=C 0.817 0.096 0.575 0.473 0.06 0.021 0.978 0.464 0.456 0.999 0.893 Compound_9 ICCCC=O 0.844 0.173 0.253 0.646 0.095 0.478 0.995 0.998 0.615 0.977 0.884 Compound_10 c1cc2ccc3c4c2c(c1)[nH]c4ccc3 0.92 0.703 0.971 0.507 0.864 0.729 0.99 0.834 0.972 0.988 0.938 Compound_11 CCCCCCCCCCCCCCCCCCCCCCCCCCCC=C 0.992 0.05 0.33 0.66 0.543 0.121 1.0 0.987 0.703 1.0 0.856 Compound_12 CC(S(=O)(=O)Cl)C 0.69 0.183 0.313 0.586 0.054 0.053 0.986 0.997 0.616 0.991 0.555 Compound_13 CCC(C(C)C)CCC(C1CCC2C1(C)CCC1C2CCC2C1(C)CCCC2)C 0.993 0.561 0.098 0.557 0.825 0.872 0.582 0.751 0.656 1.0 0.728 Compound_14 CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOCCCCCCC 0.95 0.079 0.176 0.615 0.158 0.374 1.0 0.913 0.879 1.0 0.849 Compound_15 CCC1CCC2(C1CCC1(C2CCC2C1(C)CCC1C2(C)CCCC1(C)C)C)C 0.993 0.561 0.22 0.54 0.889 0.825 0.697 0.738 0.779 1.0 0.728 Compound_16 CCCCCCCCCCCCCCCCCCCCCCCCCCC 0.993 0.047 0.309 0.578 0.167 0.21 1.0 0.989 1.0 1.0 0.819 Compound_17 CCCCCCCCCCCCCCCCCCCCCC1CCCC1 0.993 0.153 0.294 0.561 0.208 0.235 0.998 0.905 0.94 1.0 0.847 Compound_18 CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOCC(C)C 0.954 0.094 0.071 0.6 0.137 0.288 0.999 0.625 0.741 0.999 0.925 Compound_19 CCCCCCCCCCCCCCCCCCCCCCCCCCCCOCCCCCCC 0.95 0.079 0.176 0.615 0.158 0.374 1.0 0.913 0.879 1.0 0.849 Compound_20 O=C(c1ccccc1)OC1C(OC(=O)c2ccccc2)C(OC(=O)c2ccccc2)C2OC1(COC(=O)c1ccccc1)OC2 0.577 0.585 0.854 0.615 0.946 0.92 0.996 0.02 0.448 0.632 0.932 Compound_21 CCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCC 0.871 0.003 0.251 0.736 0.16 0.113 0.999 0.649 0.328 0.998 0.912 Compound_22 Oc1nc[nH]c(=O)c1 0.259 0.39 0.165 0.419 0.294 0.105 0.113 0.28 0.602 0.013 0.5 Compound_23 CCCCCCCCCC(=O)OC(COC(=O)CCCCCCC)COC(=O)CCCCCCC 0.966 0.005 0.231 0.786 0.101 0.077 0.998 0.068 0.36 0.982 0.887 Compound_24 CC(CCCC1(C)CCc2c(O1)c(C)c(c(c2C)O)C)CCCC(CCCC(C)C)C 0.395 0.592 0.077 0.531 0.517 0.098 0.477 0.193 0.216 0.997 0.685 Compound_25 CCC(C(C)C)CCC(C1CCC2C1(C)CCC1C2CC=C2C1(C)CCC(C2)O)C 0.983 0.94 0.02 0.769 0.898 0.901 0.007 0.96 0.204 1.0 0.919 Compound_26 CCC(C(C)C)C=CC(C1CCC2C1(C)CCC1C2CC=C2C1(C)CCC(C2)O)C 0.983 0.94 0.034 0.802 0.929 0.934 0.008 0.962 0.264 1.0 0.919 Compound_27 Clc1ccc(c(c1)Cc1cc(Cl)ccc1OC(=O)c1ccc(cc1C(F)(F)F)F)OC(=O)c1ccc(cc1C(F)(F)F)F 0.55 0.511 0.933 0.7 0.975 0.69 0.965 0.945 0.44 0.928 0.891 Compound_28 CCCCCCCCCCCCCCCCCCO 0.928 0.03 0.113 0.556 0.093 0.229 0.987 0.494 0.204 0.901 0.571 Compound_29 CCCCCCCC(=O)OC(COC(=O)CCCCCCC)COC(=O)CCCCCCC 0.962 0.005 0.231 0.786 0.101 0.077 0.998 0.068 0.329 0.982 0.887 Compound_30 CC(CCCC(C1CCC2C1(C)CCC1C2CCC2C1(C)CCC(C2)O)C)C 0.928 0.937 0.206 0.574 0.826 0.894 0.03 0.7 0.046 0.985 0.541