Index SMILES AR AR-LBD AhR Aromatase ER ER-LBD PPAR-gamma ARE ATAD5 HSE p53 Compound_1 O=P(Oc1ccccc1)(Oc1ccccc1)Oc1ccc(cc1)c1ccc(cc1)OP(=O)(Oc1ccccc1)Oc1ccccc1 0.962 0.658 0.964 0.8 0.983 0.551 0.981 0.977 0.817 0.716 0.767 Compound_2 O=P(Oc1ccccc1)(Oc1ccccc1)Oc1ccc(cc1)Sc1ccc(cc1)OP(=O)(Oc1ccccc1)Oc1ccccc1 0.756 0.629 0.923 0.647 0.922 0.597 0.987 0.511 0.688 0.856 0.761 Compound_3 O=P(Oc1ccccc1)(Oc1ccccc1)Oc1ccc(cc1)Oc1ccc(cc1)OP(=O)(Oc1ccccc1)Oc1ccccc1 0.96 0.664 0.923 0.647 0.982 0.566 0.998 0.511 0.675 0.78 0.783 Compound_4 CCCCCCCCCCC(COP(=O)(Oc1ccccc1)Oc1ccccc1)CCCCCCCC 0.944 0.682 0.426 0.643 0.774 0.172 0.976 0.29 0.736 0.98 0.774 Compound_5 CCOP(Oc1c(C)cc(cc1C(C)(C)C)C(C)(C)C)Oc1c(C)cc(cc1C(C)(C)C)C(C)(C)C 0.505 0.562 0.897 0.579 0.699 0.738 0.281 0.302 0.819 0.987 0.664 Compound_6 CC(COP(=O)(Oc1ccccc1)Oc1ccccc1)(COP(=O)(Oc1ccccc1)Oc1ccccc1)C 0.801 0.617 0.89 0.676 0.945 0.451 0.993 0.516 0.627 0.572 0.5 Compound_7 CCCCC(COP(=O)(Oc1ccccc1)Oc1ccccc1)(COP(=O)(Oc1ccccc1)Oc1ccccc1)CC 0.878 0.662 0.758 0.648 0.964 0.491 0.992 0.955 0.585 0.915 0.791 Compound_8 CC(c1ccc(cc1)OP(=O)(Oc1ccccc1)Oc1ccccc1)(c1ccc(cc1)OP(=O)(Oc1ccccc1)Oc1ccccc1)C 0.901 0.599 0.92 0.69 0.987 0.564 0.978 0.823 0.625 0.589 0.704 Compound_9 O=P(Oc1ccccc1)(Oc1ccccc1)OCCCCCCCCCCCCOP(=O)(Oc1ccccc1)Oc1ccccc1 0.944 0.63 0.68 0.666 0.979 0.477 0.997 0.791 0.592 0.987 0.729 Compound_10 Cc1ccc(cc1)OP(=O)(Oc1ccc(cc1)C)Oc1cccc(c1)OP(=O)(Oc1ccc(cc1)C)Oc1ccc(cc1)C 0.921 0.631 0.941 0.67 0.975 0.57 0.991 0.692 0.45 0.449 0.706 Compound_11 Cc1cccc(c1OP(=O)(Oc1c(C)cccc1C)Oc1cccc(c1)OP(=O)(Oc1c(C)cccc1C)Oc1c(C)cccc1C)C 0.777 0.655 0.918 0.654 0.946 0.569 0.984 0.716 0.538 0.721 0.755 Compound_12 Cc1cc(cc(c1)C)OP(=O)(Oc1cc(C)cc(c1)C)Oc1cccc(c1)OP(=O)(Oc1cc(C)cc(c1)C)Oc1cc(C)cc(c1)C 0.847 0.631 0.982 0.674 0.964 0.57 0.989 0.669 0.548 0.449 0.706 Compound_13 O=P(Oc1ccccc1)(Oc1ccccc1)Oc1ccc(cc1)OP(=O)(Oc1ccccc1)Oc1ccccc1 0.96 0.664 0.923 0.652 0.975 0.536 0.998 0.684 0.675 0.78 0.783 Compound_14 O=P(Oc1ccccc1)(Oc1ccccc1)Oc1cccc(c1)OP(=O)(Oc1ccccc1)Oc1ccccc1 0.969 0.629 0.933 0.65 0.971 0.535 0.999 0.724 0.591 0.31 0.724 Compound_15 O=P(Oc1ccccc1)(Oc1ccccc1)Oc1cccc(n1)OP(=O)(Oc1ccccc1)Oc1ccccc1 0.943 0.552 0.985 0.66 0.966 0.54 0.937 0.971 0.845 0.548 0.599 Compound_16 CC(C(=O)O)CSP(=S)(OCC(C)C)OCC(C)C 0.474 0.091 0.03 0.195 0.316 0.057 0.864 0.196 0.196 0.871 0.5 Compound_17 ClCCOP(=O)(OCCCl)OCCCl 0.938 0.305 0.64 0.646 0.092 0.061 0.895 0.996 0.797 0.978 0.81 Compound_18 CC(COP(=O)(OCC(C)C)OCC(C)C)C 0.842 0.121 0.236 0.517 0.08 0.037 0.992 0.111 0.472 0.991 0.571 Compound_19 CCCCOP(=O)(OCCCC)OCCCC 0.827 0.047 0.346 0.585 0.08 0.042 0.996 0.451 0.596 0.985 0.642 Compound_20 CCCCCCCCCCCCCCCCCCP(=O)(OC)OC 0.958 0.056 0.302 0.576 0.648 0.602 1.0 0.974 0.883 0.985 0.757 Compound_21 BrCC(COP(=O)(OCC(CBr)(CBr)CBr)OCC(CBr)(CBr)CBr)(CBr)CBr 0.883 0.27 0.595 0.664 0.274 0.499 0.988 0.999 0.488 0.998 0.865 Compound_22 ClCCOP(=O)(OCC(COP(=O)(OCCCl)OCCCl)(CCl)CCl)OCCCl 0.736 0.304 0.64 0.649 0.428 0.414 0.967 0.996 0.702 0.838 0.79 Compound_23 CCCCCCCCP(=O)(OCC(CCCC)CC)OCC(CCCC)CC 0.677 0.038 0.161 0.543 0.549 0.556 1.0 0.144 0.828 0.997 0.695 Compound_24 CCCCC(COP(=O)(OCC(CCCC)CC)OCC(CCCC)CC)CC 0.936 0.056 0.171 0.55 0.093 0.088 0.999 0.141 0.511 0.998 0.681 Compound_25 NP(=O)(Oc1ccccc1)Oc1ccccc1 0.932 0.612 0.646 0.389 0.658 0.147 0.95 0.003 0.95 0.008 0.5 Compound_26 CC(C1CCP(=O)(CC1)c1ccccc1)(C)C 0.477 0.431 0.189 0.513 0.775 0.277 0.705 0.118 0.848 0.943 0.611 Compound_27 Cc1ccccc1OP1(=O)OCc2c(O1)cccc2 0.699 0.679 0.908 0.546 0.278 0.046 0.773 0.944 0.486 0.666 0.777 Compound_28 CCOP(=O)(Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)OCC 0.714 0.437 0.261 0.607 0.764 0.69 0.238 0.771 0.793 0.986 0.627 Compound_29 CCCCCCCCCCCCOP(=O)(Oc1ccccc1)Oc1ccccc1 0.944 0.688 0.714 0.683 0.718 0.116 0.99 0.924 0.781 0.989 0.786 Compound_30 O=P(Oc1ccc(cc1)C(C)(C)C)(Oc1ccc(cc1)C(C)(C)C)Oc1ccccc1 0.839 0.536 0.914 0.63 0.961 0.487 0.98 0.814 0.764 0.97 0.666 Compound_31 CC(OC(=O)c1ccc(cc1)OP(=O)(Oc1ccc(cc1)C(=O)OC(C)C)Oc1ccc(cc1)C(=O)OC(C)C)C 0.59 0.624 0.984 0.692 0.967 0.653 0.976 0.148 0.703 0.66 0.538 Compound_32 CC(c1ccc(cc1)OP(=O)(Oc1ccc(cc1)C(C)C)Oc1ccc(cc1)C(C)C)C 0.78 0.549 0.886 0.62 0.943 0.473 0.984 0.266 0.404 0.968 0.666 Compound_33 CC(c1ccc(cc1)OP(=O)(Oc1ccc(cc1)C(C)(C)C)Oc1ccc(cc1)C(C)(C)C)(C)C 0.841 0.536 0.914 0.625 0.959 0.608 0.978 0.743 0.787 0.97 0.666 Compound_34 O=P(Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1 0.952 0.658 0.923 0.652 0.887 0.089 0.999 0.684 0.845 0.955 0.75 Compound_35 S=P(Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1 0.959 0.628 0.923 0.652 0.925 0.126 0.999 0.684 0.963 0.976 0.71 Compound_36 Cc1cc(cc(c1)C)OP(=O)(Oc1cc(C)cc(c1)C)Oc1cc(C)cc(c1)C 0.72 0.594 0.978 0.68 0.794 0.119 0.98 0.494 0.716 0.97 0.718 Compound_37 Cc1cccc(c1)OP(=O)(Oc1cccc(c1)C)Oc1cccc(c1)C 0.851 0.594 0.945 0.676 0.868 0.088 0.998 0.688 0.511 0.97 0.718 Compound_38 Cc1ccccc1OP(=O)(Oc1ccccc1C)Oc1ccccc1C 0.787 0.601 0.906 0.604 0.776 0.139 0.992 0.886 0.568 0.991 0.784 Compound_39 CC(CCCCCCCOP(=O)(Oc1ccccc1)Oc1ccccc1)C 0.944 0.615 0.937 0.658 0.71 0.079 0.976 0.601 0.269 0.943 0.64 Compound_40 CC(CC(C)(C)C)CCOP(=O)(Oc1ccccc1)Oc1ccccc1 0.905 0.581 0.559 0.574 0.737 0.118 0.995 0.275 0.511 0.943 0.573 Compound_41 CCCCC(COP(=O)(Oc1ccccc1)Oc1ccccc1)CC 0.929 0.682 0.426 0.637 0.621 0.077 0.995 0.261 0.586 0.98 0.774 Compound_42 CCCCC(COP(Oc1ccccc1)Oc1ccccc1)CC 0.93 0.653 0.268 0.641 0.685 0.078 0.982 0.372 0.715 0.995 0.705