Index SMILES AR AR-LBD AhR Aromatase ER ER-LBD PPAR-gamma ARE ATAD5 HSE p53 Compound_1 CCCC(=O)O 0.364 0.026 0.173 0.106 0.051 0.002 0.967 0.076 0.214 0.041 0.079 Compound_2 OC(=O)C(O)C 0.364 0.125 0.026 0.156 0.041 0.027 0.92 0.172 0.082 0.179 0.252 Compound_3 CC(=S)N 0.281 0.068 0.435 0.479 0.018 0.026 0.421 0.49 0.959 0.994 0.622 Compound_4 CC(=O)N 0.201 0.086 0.045 0.239 0.007 0.005 0.126 0.015 0.746 0.503 0.277 Compound_5 CC(=C)C=O 0.922 0.223 0.473 0.53 0.058 0.072 0.99 0.984 0.902 1.0 0.981 Compound_6 BrCC(C1CCC(C(C1)Br)Br)Br 0.987 0.111 0.36 0.627 0.538 0.632 0.996 0.961 0.609 0.999 0.36 Compound_7 O=C1SCC(=O)N1 0.067 0.36 0.308 0.281 0.073 0.067 0.147 0.183 0.219 0.297 0.39 Compound_8 c1ccc2c(c1)cccc2 0.988 0.649 0.974 0.594 0.163 0.106 0.995 0.968 0.994 1.0 0.952 Compound_9 C=CC=O 0.914 0.199 0.557 0.625 0.279 0.618 0.999 0.999 0.918 1.0 0.908 Compound_10 [Zn] 0.955 0.229 0.433 0.496 0.776 0.602 0.686 0.897 0.972 1.0 0.895 Compound_11 [Se] 0.916 0.23 0.433 0.496 0.644 0.546 0.686 0.897 0.972 1.0 0.685 Compound_12 [O-][Cl](=O)(=O)=O 0.911 0.243 0.732 0.561 0.696 0.063 0.679 0.855 0.924 0.988 0.748 Compound_13 O=[O]=O 0.918 0.195 0.732 0.561 0.627 0.156 0.74 0.855 0.948 0.999 0.913 Compound_14 ClC1=C(Cl)[C@@]2(C([C@@]1(Cl)[C@H]1[C@@H]2[C@H]2C[C@@H]1[C@H]1[C@@H]2O1)(Cl)Cl)Cl 0.951 0.649 0.467 0.64 0.838 0.638 0.984 0.891 0.217 0.997 0.919 Compound_15 O=C1CC[C@]2(C(=C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2O)C)C 0.987 1.0 0.028 0.862 0.938 0.904 0.01 0.924 0.049 0.989 0.179 Compound_16 [Cu] 0.953 0.229 0.433 0.496 0.644 0.046 0.686 0.897 0.972 1.0 0.895 Compound_17 [Cd] 0.952 0.229 0.433 0.496 0.905 0.898 0.686 0.897 0.972 1.0 0.895