Index SMILES AR AR-LBD AhR Aromatase ER ER-LBD PPAR-gamma ARE ATAD5 HSE p53 Compound_1 Fc1ccc(cc1)S(=O)(=O)[C@@]12CC[C@H]([C@@H]1CCc1c2ccc(c1)C(C(F)(F)F)(C(F)(F)F)F)NC(=O)[C@@](CS(=O)(=O)C)(O)C 0.478 0.698 0.285 0.465 0.56 0.597 0.605 0.572 0.399 0.457 0.304 Compound_2 O=C(c1cnn2c1nccc2)Nc1cc2cn(c(c2cc1N1CCOCC1)O)CC1CCOCC1 0.685 0.691 0.081 0.434 0.651 0.65 0.983 0.3 0.287 0.553 0.463 Compound_3 O[C@@H]1C[C@H](C1)NC(=O)c1nc(c(s1)c1c[nH]c(=NC(C(F)(F)F)C)cc1C(F)F)C(=O)N1CCC[C@@H]1C 0.612 0.478 0.202 0.456 0.507 0.646 0.079 0.887 0.247 0.0 0.19 Compound_4 O=C(N1CCCc2c1ccc(c2)N(S(=O)(=O)c1cccc2c1ccn2C)CC(F)(F)F)c1cccs1 0.712 0.655 0.78 0.511 0.551 0.709 0.994 0.798 0.37 0.009 0.31 Compound_5 COc1nc2ccc(cc2c(c1C1CCCC1)Cl)C(c1cnc(n1C)C)(c1cnnn1C)O 0.658 0.738 0.287 0.552 0.699 0.642 0.982 0.231 0.556 0.99 0.393 Compound_6 N#Cc1cc(ccc1OC)C(=O)Nc1cnc2c(c1C)c(cn2C)C1[C@@H]2CC[C@H]1CN(C2)C(=O)C1CCCC1 0.669 0.751 0.932 0.637 0.402 0.719 0.663 0.732 0.451 0.816 0.554 Compound_7 Fc1cccc(c1c1nnc2c(c1)[C@@H]1CC[C@]2(C1(C)C)c1cncc(n1)c1cnn(c1)CCS(=O)(=O)C)F 0.557 0.687 0.277 0.604 0.664 0.633 0.99 0.781 0.433 0.482 0.415 Compound_8 O=C(C1CCN(C(=O)C1)C)N[C@@H]1CC[C@](CC1)(c1ccc(cc1)C(C(F)(F)F)(C(F)(F)F)OCc1c(F)cccc1F)S(=O)(=O)c1ccc(cc1)F 0.435 0.549 0.107 0.48 0.773 0.659 0.69 0.803 0.398 0.534 0.19 Compound_9 CC(=O)N1CCN(CC1)c1ccc(c(c1)F)CN(S(=O)(=O)c1ccc(cc1)C(C)C)C1CCC1 0.301 0.639 0.172 0.552 0.694 0.653 0.229 0.862 0.405 0.434 0.347 Compound_10 O=C(NS(=O)(=O)c1ccccc1F)C[C@@H]1Oc2ccc(cc2N(C1)S(=O)(=O)c1cccc(c1)C(F)(F)F)NC(=O)OC(C)(C)C 0.627 0.599 0.735 0.476 0.729 0.645 0.942 0.864 0.342 0.943 0.58 Compound_11 OCC(c1ncc(cn1)c1nccc(n1)[C@@]12CC[C@H](C2(C)C)c2c1nnc(c2)c1c(F)cccc1F)O 0.554 0.663 0.715 0.58 0.673 0.646 0.929 0.517 0.407 0.006 0.442 Compound_12 COc1nc2ccc(cc2c(c1OCC(F)(F)F)C#N)[C@@](c1cncn1C)(c1ccc(nc1)C(F)(F)F)O 0.656 0.529 0.758 0.665 0.727 0.64 0.989 0.512 0.333 0.031 0.86 Compound_13 CN([C@@H]1CCN(C1)C(=O)C1CCc2c(C1)n(nc2C1=CCC(CC1)(C)C(=O)O)C(=O)c1c(Cl)cccc1C1(CC1)C(F)(F)F)C 0.793 0.808 0.204 0.291 0.792 0.762 0.844 0.834 0.349 0.966 0.368 Compound_14 CCn1nc(c(c1)S(=O)(=O)N1C[C@H](Oc2c1c(C)c(cc2)NC(=O)OC(C(F)(F)F)(C)C)CC(C(=O)O)(C)C)Cl 0.701 0.639 0.468 0.565 0.545 0.584 0.935 0.854 0.336 0.958 0.563 Compound_15 O=C1CN(CCN1CCS(=O)(=O)C)c1nccc(n1)[C@@]12CC[C@H](C2(C)C)c2c1nnc(c2)c1c(F)cccc1F 0.559 0.708 0.132 0.564 0.577 0.629 0.804 0.788 0.409 0.904 0.299 Compound_16 OC[C@@H](c1ccc(cc1)S(=O)(=O)CC)NC(=O)c1ccc2c(c1)nc(n2CC)C[C@@H]1CC[C@H](CC1)C(F)(F)F 0.37 0.634 0.078 0.487 0.688 0.74 0.967 0.186 0.382 0.282 0.308 Compound_17 C[C@H]1CC(CN1C(=O)c1nc(sc1c1c[nH]c(=NC(C)(C)C)cc1C(F)F)C(=O)N[C@H](C(O)(C)C)C)(F)F 0.649 0.438 0.298 0.44 0.417 0.66 0.18 0.765 0.293 0.128 0.185 Compound_18 O=C1CC2(N1)CCN(CC2)C(=O)C1CC[C@@]2([C@H]1CCc1c2ccc(c1)C(C(F)(F)F)(C(F)(F)F)F)S(=O)(=O)c1ccc(cc1)F 0.615 0.53 0.262 0.411 0.5 0.647 0.271 0.753 0.407 0.323 0.417 Compound_19 CC(N(C(=O)C1CCc2c(C1)n(nc2c1ccc(cc1F)C(=O)O)C(=O)c1c(Cl)cccc1C1(CC1)C(F)(F)F)C)c1cc[nH]n1 0.644 0.826 0.076 0.494 0.802 0.673 0.998 0.745 0.394 0.508 0.6 Compound_20 Clc1cccc(c1C(=O)c1cn(c2c1cccc2)c1ccc(c(c1F)F)C(=O)O)Cl 0.557 0.481 0.824 0.488 0.853 0.726 0.997 0.781 0.332 0.211 0.885 Compound_21 CC(Cc1ccc(cc1)c1onc(c1C1CC1)C(CC(=O)Nc1ccc(cc1Cl)C)CCC(=O)O)C 0.505 0.65 0.49 0.351 0.862 0.758 0.984 0.38 0.388 0.796 0.386 Compound_22 CC(=O)NC[C@@H]1Oc2ccc(cc2N(C1)S(=O)(=O)c1cccc(c1)OC(F)(F)F)NC(=O)OC(C(F)(F)F)(C)C 0.602 0.639 0.296 0.47 0.647 0.663 0.118 0.797 0.357 0.752 0.483 Compound_23 CC[C@@H](C(F)(F)F)N=c1[nH]cc(c(c1)C(F)(F)F)c1sc(nc1C(=O)N1C2CCC1CC2)C(=O)N[C@@H]1COC[C@H]1O 0.656 0.443 0.076 0.393 0.586 0.66 0.066 0.54 0.249 0.218 0.375 Compound_24 FC(c1cc(=NC(C2CC2)(C)C)[nH]cc1c1sc(nc1C(=O)N1C2CCC1CC2)C(=O)NCC(O)(C)C)F 0.647 0.542 0.077 0.363 0.51 0.654 0.178 0.782 0.366 0.182 0.223 Compound_25 OC(=O)c1ccc(c(c1)F)c1nn(c2c1NCCC2)C(=O)c1c(Cl)cccc1C1CC1 0.574 0.69 0.631 0.477 0.764 0.727 0.973 0.273 0.431 0.008 0.244 Compound_26 C[C@H]1CN(CC[C@H]1n1cnnc1)c1ccc(c(c1)F)CN1[C@@H](C)CC[C@@H](S1(=O)=O)c1ccccc1 0.622 0.717 0.228 0.579 0.295 0.855 0.941 0.855 0.391 0.284 0.313 Compound_27 O=C(c1cnn2c1nccc2)Nc1cc2cn(c(c2cc1C1CC1)O)C(C)C 0.662 0.71 0.088 0.533 0.691 0.652 0.989 0.457 0.393 0.108 0.22 Compound_28 O=C(c1ccc2c(c1)nc(n2Cc1cccc2c1OC(O2)(F)F)C1(F)CC1)NCC1CCN(CC1)S(=O)(=O)C 0.543 0.718 0.3 0.43 0.595 0.719 0.633 0.8 0.379 0.528 0.334 Compound_29 O=C(N1CC2(C1)CCCO2)C1CCc2c(C1)n(nc2C1=CCC(CC1)C(=O)O)C(=O)c1c(Cl)cccc1C1CC1 0.799 0.692 0.097 0.376 0.753 0.68 0.811 0.64 0.381 0.643 0.426 Compound_30 O=C(OC(C(F)(F)F)(C)C)Nc1ccc2c(c1)N(C[C@@H](O2)CNS(=O)(=O)c1ccc(s1)Cl)S(=O)(=O)c1ccc(cc1)F 0.677 0.589 0.62 0.457 0.732 0.674 0.56 0.933 0.381 0.135 0.63 Compound_31 FC(Oc1cc(ccc1c1n(C)nc(c1Cl)C(=O)NC[C@]1(O)CC[C@H](CC1)S(=O)(=O)C)CC(C(F)(F)F)(C)C)F 0.712 0.749 0.038 0.519 0.741 0.7 0.61 0.918 0.408 0.973 0.421 Compound_32 OC[C@@H](c1ccc(cn1)S(=O)(=O)CC)NC(=O)c1ccc2c(c1)cc(n2CC)Cc1ccc(cc1)C(F)(F)F 0.551 0.556 0.909 0.558 0.518 0.738 0.998 0.626 0.307 0.081 0.362 Compound_33 O=C(OC(C)(C)C)Nc1ccc2c(c1)N(C[C@@H](O2)CNC(=O)C1CC1)S(=O)(=O)c1ccc(cc1)F 0.65 0.579 0.591 0.569 0.45 0.621 0.06 0.816 0.364 0.926 0.533 Compound_34 COc1ccc2c(n1)CCN(C2C(=O)Nc1cc(F)c(c(c1)F)[Si](C)(C)C)C(=O)CCCC(=O)O 0.705 0.647 0.689 0.48 0.309 0.636 0.336 0.597 0.34 0.899 0.334 Compound_35 COc1cc(CCC(F)(F)F)ccc1c1n(CC)nc(c1C)C(=O)NC[C@@H]1CC[C@H](CC1)S(=O)(=O)C 0.732 0.639 0.554 0.579 0.567 0.712 0.689 0.966 0.455 0.917 0.304 Compound_36 CC(C(C(=O)N1CCC(CC1)c1cn(c2c1cc(cc2)NS(=O)(=O)c1ccc(cc1)F)C)C)C 0.542 0.798 0.605 0.48 0.158 0.758 0.986 0.471 0.244 0.671 0.422 Compound_37 CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1ccc(c(c1)F)OC(c1ccc(cc1Cl)Cl)(C)C 0.421 0.503 0.975 0.752 0.935 0.793 0.616 0.814 0.378 0.939 0.398 Compound_38 Fc1ccc(cc1)S(=O)(=O)Nc1ccc2c(c1)c(cn2C)[C@H]1CCN([C@H](C1)C)C(=O)C1CCCC1 0.529 0.719 0.605 0.501 0.191 0.788 0.983 0.636 0.231 0.258 0.314 Compound_39 COc1nc2ccc(cc2c(c1CN1CCC(CC1)(F)F)Cl)C(c1cnnn1C)(c1ccc(nc1C)C)O 0.636 0.71 0.635 0.283 0.742 0.635 0.99 0.203 0.528 0.905 0.344 Compound_40 CCc1sc(c(n1)S(=O)(=O)N1C[C@H](CCC(=O)O)Oc2c1cc(cc2)NC(=O)OC(C(F)(F)F)(C)C)OC(C)C 0.688 0.597 0.445 0.653 0.546 0.647 0.812 0.95 0.349 0.886 0.459 Compound_41 OC(=O)CC1CCN(CC1)C(=O)c1ccc(c(c1Cl)Cn1ccc2c1ccc(c2)C(F)(F)F)Cl 0.716 0.583 0.779 0.462 0.761 0.75 0.99 0.668 0.413 0.438 0.357 Compound_42 Brc1cnc(o1)c1ccc2c(c1)n(nc2c1ccc(cc1F)C(=O)O)C(=O)c1c(Cl)cccc1C(F)(F)F 0.388 0.629 0.947 0.571 0.753 0.649 1.0 0.748 0.392 0.916 0.724 Compound_43 O=C(OC(C)(C)C)Nc1ccc2c(c1)N(C[C@@H](O2)CNS(=O)(=O)C1CC1)S(=O)(=O)c1ccc(c(c1)Cl)F 0.663 0.589 0.947 0.633 0.715 0.667 0.252 0.944 0.4 0.936 0.612 Compound_44 COc1nn2c(c1S(=O)(=O)N1C[C@H](CC(C(=O)O)C)Oc3c1cc(cc3)NC(=O)OC(C(F)(F)F)(C)C)CCCC2 0.716 0.668 0.262 0.543 0.615 0.643 0.959 0.871 0.359 0.935 0.428 Compound_45 OCC1Cc2ncc(cc2N(C1)S(=O)(=O)c1cccc(c1)C)NC(=O)c1c(Cl)cccc1Cl 0.601 0.49 0.571 0.581 0.442 0.752 0.558 0.117 0.398 0.064 0.369 Compound_46 CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1ccc(c(c1)Cl)c1ccccc1Cl 0.417 0.429 0.963 0.75 0.919 0.794 0.955 0.536 0.383 0.709 0.18 Compound_47 FC(Oc1cc(CCCC(F)(F)F)ccc1c1n(C)nc(c1Cl)C(=O)NC[C@]1(O)CC[C@H](C[C@H]1O)S(=O)(=O)C)F 0.74 0.709 0.025 0.542 0.708 0.67 0.576 0.918 0.401 0.678 0.428 Compound_48 OC[C@@H](Cn1nnc(c1)c1nccc(n1)[C@@]12CC[C@H](C2(C)C)c2c1nnc(c2)c1c(F)cccc1F)O 0.591 0.684 0.377 0.631 0.683 0.64 0.956 0.22 0.397 0.012 0.423 Compound_49 O=C(OC(C(F)(F)F)(C)C)Nc1ccc2c(c1)N(C[C@@H](O2)CNS(=O)(=O)c1cnn(c1C)C(F)F)S(=O)(=O)c1ccc(cc1)F 0.69 0.554 0.765 0.493 0.714 0.636 0.724 0.872 0.359 0.768 0.616 Compound_50 Fc1cc(C(=O)O)c(cc1c1nn(c2c1c(F)ccc2)Cc1c(cccc1C(F)(F)F)C(C)C)O 0.433 0.69 0.61 0.415 0.968 0.746 0.999 0.951 0.395 0.014 0.582 Compound_51 O=C(c1nc(sc1c1c[nH]c(=N[C@H](C(F)(F)F)C2CC2)cc1C(F)F)C(=O)NC1CCS(=O)(=O)CC1)N1C2CCC1CC2 0.63 0.491 0.291 0.505 0.555 0.654 0.015 0.947 0.39 0.064 0.237 Compound_52 N#CC1(CC1)C[C@@H]1Oc2ccc(cc2N(C1)S(=O)(=O)c1cn(nc1Cl)CC)NC(=O)OC(C(F)(F)F)(C)C 0.696 0.596 0.674 0.666 0.641 0.631 0.904 0.958 0.398 0.998 0.657 Compound_53 CC[C@@H](C(F)(F)F)N=c1[nH]cc(c(c1)C(F)F)c1sc(nc1C(=O)N1CCC[C@@H]1C)C(=O)N[C@@H]1CC[C@H]1O 0.639 0.44 0.093 0.471 0.525 0.648 0.079 0.438 0.216 0.001 0.233 Compound_54 O=C(OC(C(F)(F)F)(C)C)Nc1ccc2c(c1)N(C[C@@H](O2)CNC(=O)C1CCN1)S(=O)(=O)c1ccc(cc1)F 0.675 0.579 0.492 0.427 0.689 0.576 0.125 0.192 0.342 0.095 0.549 Compound_55 Fc1ccc(cc1)S(=O)(=O)Nc1ccc2c(c1)c(cn2C)[C@@H]1CCN(C(C1)(C)C)C(=O)C1CCCC1 0.538 0.769 0.799 0.455 0.172 0.792 0.989 0.608 0.271 0.925 0.391 Compound_56 CC(CN(S(=O)(=O)Cc1ccccc1)Cc1ccc(cc1)N1CC2(C1)COCC2)C 0.37 0.659 0.817 0.482 0.588 0.828 0.977 0.93 0.358 0.309 0.576 Compound_57 CC(N(S(=O)(=O)Cc1ccccc1)Cc1ccc(cc1)N1CCN(CC1)C(=O)C)C 0.247 0.674 0.256 0.53 0.244 0.855 0.06 0.804 0.411 0.549 0.22 Compound_58 OC(=O)c1ccc(c(c1)F)c1nn(c2c1nccc2)C(=O)c1c(C)cccc1C1(CC1)C(F)(F)F 0.465 0.634 0.55 0.546 0.835 0.647 0.999 0.667 0.425 0.05 0.389 Compound_59 CC(CC(=O)N[C@@H]1CC[C@@]2([C@H]1CCc1c2ccc(c1)C(C(F)(F)F)(C(F)(F)F)F)S(=O)(=O)c1ccc(cc1)F)O 0.57 0.508 0.04 0.471 0.567 0.578 0.771 0.505 0.364 0.722 0.336 Compound_60 COc1nc2ccc(cc2c(c1CN1CCn2c(C1)nc(n2)C(F)(F)F)Cl)[C@@](c1cncn1C)(c1ccnc(c1)C(F)(F)F)O 0.657 0.681 0.307 0.373 0.719 0.658 0.992 0.665 0.446 0.067 0.423 Compound_61 CCn1nc(c(c1)S(=O)(=O)N1C[C@H](CNS(=O)(=O)C2CC2)Oc2c1cc(cc2)NC(=O)OC(C(F)(F)F)(C)C)OC(F)F 0.698 0.619 0.381 0.609 0.651 0.635 0.702 0.93 0.391 0.923 0.491 Compound_62 CCCN(Cc1ccc(cc1)C(F)(F)F)Cc1ccc(cc1)NC(=O)Cc1ccc(cc1)S(=O)(=O)CC 0.324 0.41 0.286 0.296 0.839 0.676 0.979 0.932 0.394 0.171 0.213 Compound_63 CC(=O)NC[C@@H]1Oc2ccc(cc2N(C1)S(=O)(=O)c1cnc2n1cccc2)NC(=O)OC(C(F)(F)F)(C)C 0.685 0.579 0.042 0.572 0.538 0.636 0.622 0.904 0.364 0.874 0.486 Compound_64 O=C(OC(C(F)(F)F)(C)C)Nc1ccc2c(c1)N(C[C@@H](O2)CNC(=O)C1CCO1)S(=O)(=O)c1ccc(cc1)F 0.703 0.549 0.765 0.594 0.564 0.594 0.084 0.901 0.354 0.126 0.566 Compound_65 O=C(OC(C(F)(F)F)(C)C)Nc1ccc2c(c1)N(C[C@@H](O2)CNS(=O)(=O)CC1CCCCO1)S(=O)(=O)c1ccc(cc1)F 0.697 0.569 0.591 0.643 0.73 0.678 0.324 0.947 0.389 0.101 0.545 Compound_66 COc1cc(ccc1c1n(CC)nc(c1C(C)C)C(=O)NC[C@@H]1CC[C@H](CC1)S(=O)(=O)C)N[C@@H](C(F)(F)F)C 0.698 0.639 0.381 0.468 0.73 0.665 0.84 0.93 0.439 0.924 0.346 Compound_67 C[C@H]1CCCN1C(=O)c1nc(sc1c1c[nH]c(=NC2(C)CCC2)cc1C(F)F)C(=O)NCC(O)(C)C 0.639 0.498 0.092 0.412 0.457 0.649 0.143 0.78 0.313 0.096 0.246 Compound_68 O=C(OC(C(F)(F)F)(C)C)Nc1ccc2c(c1)N(CC(O2)C(=O)C(F)(F)F)S(=O)(=O)c1ccc(cc1)F 0.666 0.609 0.914 0.67 0.512 0.582 0.693 0.907 0.391 0.118 0.587 Compound_69 O=C(OC(C(F)(F)F)(C)C)Nc1ccc2c(c1)N(C[C@@H](O2)CNC(=O)c1c[nH]nc1)S(=O)(=O)c1ccc(c(c1)Cl)F 0.671 0.539 0.925 0.58 0.721 0.653 0.487 0.831 0.384 0.168 0.628 Compound_70 CCn1nc(c(c1c1ccc(cc1OC(F)F)C[C@H](C(F)(F)F)C)C)C(=O)NC[C@@]1(O)CC[C@@H](C[C@@H]1O)S(=O)(=O)C 0.719 0.709 0.152 0.574 0.673 0.656 0.623 0.956 0.399 0.905 0.409 Compound_71 CC[C@@H](C(F)(F)F)N=c1[nH]cc(c(c1)C(F)F)c1sc(nc1C(=O)N1CCC[C@@H]1C)C(=O)N[C@@H](CO)C 0.61 0.448 0.233 0.451 0.395 0.61 0.066 0.387 0.243 0.04 0.251 Compound_72 CCn1nc(c(c1c1ccc(cc1OC(F)F)CCC(F)(F)F)C)C(=O)NC[C@@H]1CC[C@H](CC1)S(=O)(=O)C 0.709 0.639 0.606 0.531 0.666 0.701 0.689 0.963 0.42 0.917 0.304 Compound_73 CC(=O)NC[C@@H]1Oc2ccc(cc2N(C1)S(=O)(=O)c1ccc(cc1)F)NC(=O)OC(C(F)(F)F)c1ccccc1 0.66 0.438 0.917 0.645 0.76 0.631 0.173 0.628 0.34 0.25 0.511 Compound_74 N#Cc1cc(ccc1F)C(=O)Nc1cnc2c(c1C(F)(F)F)c(cn2C)C1CCN(CC1)C(=O)C1CCCC1 0.613 0.613 0.787 0.661 0.633 0.729 0.97 0.958 0.482 0.101 0.347 Compound_75 COc1ccc2c(c1)CCN(C2C(=O)Nc1cc(F)c(c(c1)F)[Si](C)(C)C)C(=O)CC(CC(=O)O)(O)C 0.555 0.761 0.314 0.482 0.462 0.638 0.898 0.739 0.351 0.892 0.242 Compound_76 CCn1nc(c(c1c1c[nH]c(=NC(CC(F)(F)F)(C)C)cc1OC(F)F)Cl)C(=O)NC[C@]1(O)CC[C@H](C[C@H]1O)S(=O)(=O)C 0.685 0.589 0.02 0.482 0.647 0.674 0.686 0.811 0.405 0.87 0.373 Compound_77 O=COC(Cc1nnc(s1)c1nc(c(s1)c1ccc(c(c1Cl)Cl)S(=O)(=O)N[C@H](C(F)(F)F)C)CC1CCC1)(C)C 0.616 0.595 0.302 0.512 0.705 0.652 0.985 0.921 0.395 0.988 0.506 Compound_78 CCn1nc(c(c1)S(=O)(=O)N1C[C@H](Oc2c1cc(cc2)N(C(C(F)(F)F)(C)C)C(=O)O)CC1(CC1)C(=O)N)Cl 0.705 0.626 0.277 0.353 0.538 0.609 0.757 0.128 0.399 0.989 0.535 Compound_79 FC1CN(C1)C1CN(C1)C(=O)C1CCc2c(C1)n(nc2C1=CCC(CC1)C(=O)O)C(=O)c1c(ccc(c1Cl)F)C1CC1 0.784 0.566 0.629 0.343 0.728 0.691 0.781 0.949 0.389 0.655 0.255 Compound_80 COc1nc2ccc(cc2c(c1CC(F)(F)F)Cl)C(c1cncn1C)(c1ccc(cc1)C#N)O 0.63 0.637 0.397 0.716 0.761 0.703 0.993 0.523 0.692 0.345 0.905 Compound_81 CC(Cc1onc(n1)c1onc(c1C1CC1)C(CC(=O)Nc1ccc(cc1Cl)C)CCC(=O)O)C 0.547 0.648 0.604 0.432 0.724 0.661 0.961 0.551 0.382 0.935 0.233 Compound_82 CC(=O)N=c1cc(n([nH]1)C(C1CC1)C)c1ccc(c(c1)N1CC2C(C1)C2)N(C(=O)c1c(F)cccc1Cl)C 0.689 0.644 0.134 0.519 0.699 0.712 0.826 0.393 0.488 0.386 0.097 Compound_83 CC(=O)N=c1cc(n([nH]1)C(C)C)c1ccc(c(c1)OCC1CCC1)N(C(=O)c1c(F)cccc1Cl)C 0.655 0.649 0.595 0.646 0.841 0.667 0.588 0.294 0.445 0.942 0.246 Compound_84 OC(=O)CC[C@@H]1Oc2ccc(cc2N(C1)S(=O)(=O)c1c(Cl)nc2n1ccs2)NC(=O)OC(C(F)(F)F)(C)C 0.645 0.629 0.262 0.634 0.579 0.661 0.964 0.917 0.311 0.55 0.505 Compound_85 O=C(Cc1ccc(cc1)S(=O)(=O)C)Nc1ccc(cc1)CCN1CCOc2c1cc(cc2)OC(C)C 0.524 0.7 0.776 0.547 0.746 0.54 0.889 0.501 0.395 0.982 0.187 Compound_86 Fc1ccc(cc1)S(=O)(=O)[C@@]12CC[C@H]([C@@H]1CCc1c2ccc(c1)C(C(F)(F)F)(C(F)(F)F)F)NC(=O)N1CCC(=O)N1CC(O)(C)C 0.587 0.619 0.114 0.418 0.604 0.61 0.76 0.58 0.403 0.588 0.305 Compound_87 OC[C@@H](c1ccc(cc1)S(=O)(=O)CC)NC(=O)c1ccc2c(c1)cc(n2C1CC1)CN1CCC(CC1)C(F)(F)F 0.456 0.632 0.974 0.419 0.765 0.759 0.981 0.215 0.391 0.226 0.343 Compound_88 CC([C@@H]1N(Cc2ccc(c(n2)C)Cl)Cc2c1[nH]c(=NC(=O)Cc1ccc(cc1)S(=O)(=O)C)s2)C 0.462 0.589 0.055 0.26 0.384 0.7 0.032 0.511 0.397 0.154 0.304 Compound_89 O[C@H]1CC[C@@H](C1)NC(=O)c1nc(c(s1)c1c[nH]c(=N[C@H](C(F)(F)F)C)cc1C(F)F)C(=O)N1CCC[C@@H]1C 0.62 0.498 0.202 0.486 0.457 0.625 0.079 0.893 0.19 0.0 0.175 Compound_90 OC(=O)c1ccc(cc1)c1nn(c2c1cccc2)C(=O)c1c(Cl)cccc1C(F)(F)F 0.462 0.644 0.819 0.527 0.933 0.797 0.973 0.725 0.344 0.586 0.739 Compound_91 Fc1cc(C(=O)O)c(cc1c1nn(c2c1CCCC2)C(=O)c1c(Cl)cccc1C1CC1)O 0.614 0.571 0.242 0.434 0.917 0.774 0.969 0.748 0.433 0.563 0.579 Compound_92 NC(=O)Cn1ncc(c1)c1cccc(n1)[C@@]12CC[C@H](C2(C)C)c2c1nnc(c2)c1c(F)cccc1F 0.568 0.707 0.124 0.531 0.649 0.616 0.986 0.625 0.547 0.001 0.178 Compound_93 Fc1cccc(c1OCc1ccc2c(c1)N(CC2)S(=O)(=O)c1cccc(c1)C(F)(F)F)Cl 0.492 0.458 0.966 0.672 0.815 0.778 0.957 0.922 0.263 0.591 0.639 Compound_94 O=C(NS(=O)(=O)c1cccc(n1)C)C[C@@H]1Oc2ccc(cc2N(C1)S(=O)(=O)c1cccc(c1)C(F)(F)F)NC(=O)OC(C)(C)C 0.654 0.609 0.427 0.46 0.677 0.68 0.906 0.923 0.321 0.896 0.529 Compound_95 CCn1nc(c(c1c1c[nH]c(=NC(C(C(F)(F)F)(F)F)(C)C)cc1OC(F)F)Cl)C(=O)NC[C@]1(O)CC[C@H](CC1)S(=O)(=O)C 0.682 0.589 0.113 0.495 0.665 0.69 0.607 0.745 0.395 0.924 0.373 Compound_96 CCn1nc(c(c1c1ccc(cc1C)CC(C(F)(F)F)(C)C)Cl)C(=O)NC[C@@H]1CC[C@H](CC1)S(=O)(=O)C 0.667 0.719 0.148 0.523 0.659 0.78 0.95 0.98 0.459 0.849 0.298 Compound_97 N#Cc1cc(O)cc(c1)C(=O)Nc1cnc2c(c1C(F)(F)F)c(cn2C)C1CCN(CC1)C(=O)C(C(C)(C)C)C 0.626 0.717 0.205 0.669 0.62 0.773 0.973 0.945 0.511 0.629 0.647 Compound_98 Fc1cccc(c1c1nnc2c(c1)[C@@H]1CC[C@]2(C1(C)C)c1cccc(n1)c1c[nH]c(=NS(=O)(=O)C)cn1)F 0.669 0.629 0.641 0.663 0.571 0.608 0.844 0.537 0.418 0.595 0.541 Compound_99 O=C(OC(C(F)(F)F)(C)C)Nc1ccc2c(c1)N(C[C@@H](O2)CNS(=O)(=O)c1cn(nc1C(F)(F)F)C)S(=O)(=O)c1ccc(cc1)F 0.659 0.594 0.189 0.481 0.695 0.63 0.724 0.855 0.359 0.896 0.634 Compound_100 OC(=O)c1ccc(cc1)n1cc(c2c1c(F)ccc2)C(=O)c1c(Cl)cccc1C(F)(F)F 0.452 0.477 0.363 0.436 0.854 0.67 0.997 0.942 0.263 0.138 0.946 Compound_101 OC(=O)C(Cc1nnc(o1)c1nc(c(s1)c1ccc(c(c1Cl)Cl)C(C(F)(F)F)(C(F)(F)F)O)CN1CCCC(C1)(F)F)(C)C 0.592 0.615 0.734 0.43 0.688 0.648 0.978 0.735 0.363 0.349 0.349 Compound_102 CCc1ccc(cc1)N(S(=O)(=O)c1ccc(c(c1)S(=O)(=N)C)NCC1CSC1)CC(C)C 0.29 0.458 0.618 0.326 0.528 0.61 0.454 0.147 0.213 0.237 0.444 Compound_103 CCOc1ccccc1CN1CCc2c1ccc(c2)NC(=O)C1N(CCc2c1ccc(n2)OC)C(=O)CCCC(=O)O 0.684 0.639 0.092 0.48 0.481 0.79 0.634 0.747 0.312 0.573 0.734 Compound_104 O=COC(Cc1nnc(o1)c1nc(c(s1)c1cnc(c2c1cccc2)S(=O)(=O)N[C@H](C(F)(F)F)C)CC1CCCCC1)(C)C 0.624 0.619 0.65 0.511 0.672 0.653 0.997 0.902 0.364 0.973 0.392 Compound_105 COc1nc2ccc(cc2c(c1OCC1CC1(F)F)Cl)C(c1cnnn1C)(c1ccc(nc1C)C)O 0.605 0.744 0.471 0.619 0.695 0.64 0.992 0.576 0.501 0.746 0.625 Compound_106 CC[C@@H](C(F)(F)F)N=c1[nH]cc(c(c1)C(F)F)c1sc(nc1C(=O)N1CCC[C@@H]1C)C(=O)N1CC2CC(C1)O2 0.674 0.537 0.341 0.597 0.45 0.548 0.108 0.642 0.338 0.052 0.252 Compound_107 CCN(C(=O)c1ccc(cc1)c1n[nH]cn1)C[C@@]12CC[C@H](C2(C)C)c2c1nnc(c2)c1c(F)cccc1F 0.445 0.771 0.369 0.561 0.641 0.656 0.975 0.833 0.499 0.965 0.178 Compound_108 COCCS(=O)(=O)c1ccc2c(c1)CN(C2C(=O)Nc1ccc(cc1)C(C(F)(F)F)(C(F)(F)F)O)C(=O)CO 0.419 0.618 0.571 0.629 0.646 0.608 0.738 0.31 0.365 0.072 0.315 Compound_109 O=C(OC(C(F)(F)F)(C)C)Nc1ccc2c(c1)N(C[C@@H](O2)CC(NS(=O)(=O)C1CC1)(C)C)S(=O)(=O)c1ccc(c(c1)Cl)F 0.671 0.669 0.956 0.683 0.738 0.666 0.946 0.943 0.401 0.916 0.578 Compound_110 Fc1ccc(cc1)S(=O)(=O)[C@@]12CC[C@H]([C@@H]1CCc1c2ccc(c1)C(C(F)(F)F)(C(F)(F)F)F)NC1CCN(CC1)S(=O)(=O)C 0.603 0.616 0.209 0.37 0.565 0.57 0.682 0.772 0.402 0.24 0.394 Compound_111 O=C(C[C@@H]1Oc2ccc(cc2N(C1)S(=O)(=O)c1cccc(c1)C(F)(F)F)NC(=O)OC(C)(C)C)NOCc1cccnc1 0.624 0.619 0.824 0.643 0.5 0.642 0.872 0.851 0.368 0.974 0.611 Compound_112 COc1nc2ccc(cc2c(c1CN1CC(C1)C(F)(F)F)Cl)[C@@](c1cnc(n1C)C)(c1cnnn1C)O 0.675 0.599 0.335 0.257 0.718 0.641 0.996 0.216 0.368 0.987 0.52 Compound_113 CCS(=O)(=O)c1ccc(cc1)CC(=O)N=c1sc2c([nH]1)[C@@H](N(C2)Cc1ccc(cc1)c1nnn(n1)C)C(C)C 0.475 0.569 0.052 0.304 0.543 0.662 0.854 0.542 0.345 0.37 0.385 Compound_114 O=C(OC(C(F)(F)F)(C)C)Nc1ccc2c(c1)N(C[C@@H](O2)CC(C(=O)O)C)S(=O)(=O)c1cccc(c1)C(F)(F)F 0.663 0.659 0.266 0.647 0.575 0.606 0.917 0.92 0.321 0.855 0.55 Compound_115 OC(=O)c1ccc(c(c1)F)c1nn(c2c1S(=O)CCC2)C(=O)c1c(Cl)cccc1C1(CC1)C(F)(F)F 0.646 0.582 0.252 0.556 0.88 0.713 0.76 0.885 0.41 0.052 0.424 Compound_116 COc1ccc(cc1S(=O)(=O)N1C[C@H](CCC(=O)O)Oc2c1cc(cc2)NC(=O)OC(C(F)(F)F)(C)C)C 0.701 0.699 0.362 0.66 0.559 0.595 0.92 0.719 0.303 0.911 0.514 Compound_117 Fc1cc(ccc1CN(S(=O)(=O)Cc1ccccc1)CC(F)(F)F)N1CCN(CC1)S(=O)(=O)C 0.429 0.653 0.189 0.6 0.84 0.845 0.775 0.951 0.405 0.364 0.404 Compound_118 BrN[C@@H]1C[C@@H](CC[C@@]1(O)CNC(=O)c1nn(c(c1Cl)c1ccc(cc1OC(F)F)CC(C(F)(F)F)(C)C)CC)S(=O)(=O)C 0.703 0.719 0.055 0.532 0.726 0.687 0.708 0.944 0.405 0.994 0.566 Compound_119 OC(=O)C(C[C@@H]1Oc2ccc(cc2N(C1)S(=O)(=O)c1cccc(c1)C(F)(F)F)c1cccc(c1F)Cl)(C)C 0.67 0.689 0.896 0.505 0.765 0.645 0.762 0.779 0.281 0.396 0.482 Compound_120 COc1nn(c(c1S(=O)(=O)N1C[C@@H](Oc2c1cc(cc2)NC(=O)OC(C(F)(F)F)(C)C)CC(NC(=O)C)(C)C)C)CC 0.717 0.709 0.521 0.618 0.557 0.66 0.791 0.889 0.384 0.925 0.453 Compound_121 CCN(C(=O)c1c[nH]nc1n1cnnn1)C[C@@]12CC[C@H](C2(C)C)c2c1nnc(c2)c1c(F)cccc1F 0.505 0.751 0.181 0.557 0.691 0.653 0.901 0.559 0.468 0.978 0.214 Compound_122 CCn1nc(c(c1)S(=O)(=O)N1C[C@H](CC(=O)C(O)O)Oc2c1cc(cc2)NC(=O)OC(C(F)(F)F)(C)C)Cl 0.686 0.596 0.653 0.622 0.463 0.581 0.73 0.739 0.337 0.813 0.563 Compound_123 CC(=O)NC[C@@H]1Oc2ccc(cc2N(C1)S(=O)(=O)c1ccc(cc1)F)NC(=O)O[C@H](C(C(F)(F)F)(F)F)C 0.655 0.478 0.974 0.627 0.636 0.599 0.141 0.772 0.365 0.184 0.5 Compound_124 Clc1cccc(c1C(=O)c1nn(c2c1cccc2)c1ccc(cc1)C(=O)O)Cl 0.567 0.568 0.916 0.524 0.948 0.798 0.99 0.812 0.276 0.354 0.872 Compound_125 CC(CN(S(=O)(=O)Cc1ccccc1)Cc1ccc(cc1)N1CCC2(C1)CCCO2)C 0.448 0.689 0.133 0.521 0.513 0.862 0.94 0.896 0.361 0.331 0.445 Compound_126 C[C@H]1CCCN1C(=O)c1nc(sc1c1c[nH]c(=NC(C)(C)C)cc1C(F)(F)F)C(=O)NCC(C(F)(F)F)O 0.617 0.518 0.024 0.346 0.382 0.623 0.062 0.815 0.21 0.086 0.233 Compound_127 CCS(=O)(=O)c1ccc(nc1)CNC(=O)c1ccc(cc1)CCN1CCOc2c1cc(cc2)CC(C)C 0.626 0.626 0.3 0.401 0.422 0.751 0.957 0.958 0.355 0.821 0.178 Compound_128 CNS(=O)(=O)c1ccc(cc1)CNC(=O)c1ccc2c(c1)nc(n2Cc1cccc2c1OC(O2)(F)F)C1(F)CC1 0.522 0.539 0.042 0.322 0.706 0.68 0.91 0.573 0.238 0.684 0.388 Compound_129 CCS(=O)(=O)c1ccc(cc1)[C@@H](NC(=O)c1ccc2c(c1)nc(n2C1CC1)C[C@@H]1CC[C@H](CC1)C(F)(F)F)COC(=O)N 0.451 0.606 0.198 0.336 0.728 0.727 0.989 0.758 0.396 0.875 0.409 Compound_130 FC([C@H]1CC[C@@H](S(=O)(=O)N1Cc1cc(F)c(cc1F)N1CCC(CC1)n1cnnc1)c1ccccc1)F 0.642 0.556 0.347 0.597 0.573 0.8 0.967 0.88 0.395 0.196 0.337 Compound_131 OC(=O)CC[C@@H]1Oc2ccc(cc2N(C1)S(=O)(=O)c1cncc(c1)C)NC(=O)OC(C(F)(F)F)(C)C 0.658 0.659 0.5 0.651 0.367 0.549 0.883 0.88 0.349 0.885 0.549 Compound_132 CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1ccc(cc1)CCN1CCCc2c1cc(cc2)C1CC1 0.402 0.58 0.097 0.455 0.761 0.605 0.969 0.388 0.401 0.079 0.099 Compound_133 CCn1nc(c(c1c1c[nH]c(=NC(CC(F)(F)F)(C)C)cc1OC(F)F)C)C(=O)NC[C@@H]1CC[C@H](CC1)S(=O)(=O)C 0.646 0.609 0.084 0.435 0.568 0.687 0.342 0.826 0.418 0.841 0.308 Compound_134 C[C@H]1CC[C@@H](S(=O)(=O)N1Cc1cc(F)c(cc1F)N1C[C@@H]2[C@H](C1)C2n1cnnc1)c1ccccc1 0.609 0.656 0.612 0.617 0.5 0.806 0.958 0.855 0.395 0.185 0.321 Compound_135 OC(=O)C1CCN(C1)C(=O)C1CC[C@@]2([C@H]1CCc1c2ccc(c1)C(C(F)(F)F)(C(F)(F)F)F)S(=O)(=O)c1ccc(cc1)F 0.576 0.578 0.422 0.383 0.687 0.651 0.661 0.856 0.4 0.273 0.336 Compound_136 OC(=O)CC1CCN(CC1)C(=O)c1ccc(c(c1Cl)C(=O)n1nc(c2c1c(C)cc(c2)C(F)(F)F)C)Cl 0.655 0.685 0.712 0.361 0.81 0.714 0.986 0.968 0.425 0.448 0.222 Compound_137 N#Cc1cccc(c1)C(=O)Nc1cnc2c(c1C(F)(F)F)c(cn2C)C1CCN(CC1)C(=O)CC1CCCCC1 0.638 0.643 0.386 0.63 0.477 0.753 0.977 0.949 0.562 0.076 0.536 Compound_138 OC(=O)c1ccc(c(c1)F)c1nn(c2c1ccc(c2)N1CCNC1=O)C(=O)c1c(Cl)cccc1C(F)(F)F 0.505 0.643 0.367 0.436 0.905 0.738 0.995 0.84 0.377 0.115 0.517 Compound_139 O=COC(Cc1nnc(o1)c1nc(c(s1)c1ccc(c(c1Cl)Cl)S(=O)(=O)N[C@H](C(F)(F)F)CC)CC(OC)(C)C)(C)C 0.534 0.476 0.324 0.459 0.707 0.652 0.952 0.95 0.39 0.955 0.436 Compound_140 O=C1CCC(CN1)C(=O)N[C@@H]1CC[C@@]2([C@H]1CCc1c2ccc(c1)C(C(F)(F)F)(C(F)(F)F)F)S(=O)(=O)c1ccc(cc1)F 0.671 0.478 0.134 0.363 0.537 0.56 0.211 0.696 0.402 0.028 0.289 Compound_141 CC(CN(S(=O)(=O)Cc1ccccc1)Cc1ccc(cc1)c1ccc(cc1)S(=O)(=O)C)C 0.194 0.546 0.875 0.632 0.669 0.758 0.337 0.594 0.402 0.174 0.215 Compound_142 C=CCC1C(=O)C(=C[C@@]2([C@@H]1CCc1c2nc(nc1c1ccccc1F)c1ccnc(c1)C1CC1)C)C#N 0.563 0.657 0.739 0.747 0.773 0.687 0.524 0.969 0.419 0.586 0.815 Compound_143 Fc1ccc(cc1)S(=O)(=O)Nc1ccc2c(c1)c(cn2C)[C@@H]1CCN([C@H](C1)C)C(=O)C1CCCC1 0.529 0.719 0.605 0.501 0.191 0.788 0.983 0.636 0.231 0.258 0.314 Compound_144 Clc1ccc(c(c1Cc1cc2c(n1C)cc(cc2C)C(F)(F)F)Cl)C(=O)N1CCC(CC1)S(=O)(=O)C 0.551 0.758 0.743 0.59 0.757 0.74 0.958 0.968 0.419 0.896 0.279 Compound_145 OC[C@@H](c1ccc(cc1)S(=O)(=O)CC)NC(=O)c1ccc2c(c1)cc(n2CC)Cc1ccc(cn1)C(F)(F)F 0.402 0.566 0.96 0.515 0.596 0.695 0.998 0.574 0.376 0.111 0.384 Compound_146 CCS(=O)(=O)c1ccc(cc1)CNC(=O)c1ccc2c(c1)nc(n2CC(C)C)O[C@@H]1CC[C@H](CC1)C(F)(F)F 0.486 0.747 0.042 0.466 0.679 0.752 0.572 0.651 0.382 0.766 0.322 Compound_147 O=C(C1CCc2c(C1)n(nc2c1ccc(cc1F)C(=O)O)C(=O)c1c(Cl)cccc1C1(CC1)C(F)(F)F)N1CCc2c(C1)cn[nH]2 0.654 0.75 0.03 0.549 0.809 0.669 0.992 0.688 0.397 0.306 0.413 Compound_148 O[C@@H]1C[C@H](O)CN(C1)C(=O)c1nc(c(s1)c1ccc(cc1OC(C)C)C(C(F)(F)F)(C(F)(F)F)O)C(=O)N1CC(C[C@@H]1C)(F)F 0.743 0.649 0.553 0.788 0.562 0.704 0.517 0.776 0.314 0.947 0.637 Compound_149 N#CCC(=N)/C=C\C(=N)C(=O)N(C[C@@]12CC[C@H](C2(C)C)/C(=C/C(=N)c2c(F)cccc2F)/C1=N)CC 0.649 0.599 0.353 0.645 0.416 0.46 0.315 0.926 0.451 0.621 0.338 Compound_150 CC(=O)NC[C@@H]1Oc2ccc(cc2N(C1)S(=O)(=O)c1cccc(c1)C)NC(=O)OC(C(F)(F)F)(C)C 0.632 0.569 0.226 0.518 0.443 0.646 0.166 0.867 0.382 0.757 0.533 Compound_151 C[C@H]1CN(CCC1C(=O)O)C(=O)c1ccc(c(c1Cl)C(=O)c1cc2c(n1C)cc(cc2C)C(F)(F)F)Cl 0.603 0.718 0.803 0.402 0.697 0.593 0.984 0.917 0.404 0.796 0.433 Compound_152 COc1nc2ccc(cc2c(c1CN1CCC(CC1)C(F)(F)F)Cl)[C@@](c1cnc(n1C)C)(c1ccnc(c1)C(F)(F)F)O 0.662 0.656 0.409 0.263 0.817 0.668 0.994 0.281 0.441 0.918 0.494 Compound_153 COc1nn(c(c1S(=O)(=O)N1C[C@H](CNC(=O)C)Oc2c1cc(cc2)NC(=O)OC(C)(C)C)C)C 0.705 0.679 0.079 0.532 0.46 0.645 0.227 0.488 0.402 0.792 0.392 Compound_154 CCN(S(=O)(=O)c1cnc(n1C)C)C[C@@]12CC[C@H](C2(C)C)c2c1nnc(c2)c1c(F)cccc1F 0.493 0.619 0.045 0.647 0.612 0.63 0.981 0.702 0.409 0.983 0.402 Compound_155 C[C@H]1CCCCN1C(=O)c1nc(sc1c1cnc(cc1C)C(C(F)(F)F)(C(F)(F)F)O)C(=O)NCC(O)(C)C 0.61 0.623 0.078 0.494 0.399 0.671 0.39 0.824 0.362 0.908 0.598 Compound_156 Fc1ccc(cc1)S(=O)(=O)[C@@]1(CC[C@@H](CC1)N1CCOCC1)c1ccc(cc1)C(C(F)(F)F)(C(F)(F)F)OCc1c(F)cccc1F 0.376 0.578 0.059 0.307 0.871 0.628 0.88 0.444 0.386 0.702 0.398 Compound_157 CCN(C(=O)c1nc(sc1c1ccc(c(c1Cl)Cl)C(C(F)(F)F)(C(F)(F)F)O)C(=O)N1CC(C1)(O)C(O)(C)C)CC 0.594 0.582 0.201 0.799 0.606 0.601 0.743 0.897 0.31 0.93 0.334 Compound_158 OCCOc1nn(cc1S(=O)(=O)N1C[C@H](CNC(=O)C(O)(C)C)Oc2c1cc(cc2)NC(=O)OC(C(F)(F)F)(C)C)CC 0.686 0.708 0.463 0.501 0.477 0.607 0.277 0.622 0.342 0.618 0.453 Compound_159 F[C@@H]1CN(CC[C@@H]1n1cnnc1)c1cc(F)c(cc1F)CN1[C@@H](C)CC[C@@H](S1(=O)=O)c1ccccc1 0.62 0.637 0.393 0.625 0.345 0.803 0.97 0.924 0.392 0.216 0.312 Compound_160 Clc1ccc(cc1C(=O)Nc1ccccc1F)N(=O)=O 0.982 0.663 0.975 0.766 0.587 0.891 0.992 0.977 0.446 0.998 0.479 Compound_161 CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1sc(c(c1)c1cccc(c1)Cl)C(=O)c1cccc(c1)Cl 0.549 0.488 0.556 0.601 0.644 0.81 0.988 0.436 0.402 0.896 0.182 Compound_162 C[C@H]1CCCN1C(=O)c1nc(sc1c1c[nH]c(=NC(C)(C)C)cc1C(F)(F)F)C(=O)NC1CCOCC1 0.605 0.599 0.088 0.412 0.264 0.685 0.032 0.833 0.378 0.717 0.288 Compound_163 N#C[C@@H](c1coc(n1)c1cncc(n1)[C@@]12CC[C@H](C2(C)C)c2c1nnc(c2)c1c(F)cccc1F)C 0.568 0.685 0.403 0.644 0.688 0.653 0.983 0.595 0.547 0.53 0.645 Compound_164 CCN(C(=O)Cn1cncn1)C[C@@]12CC[C@H](C2(C)C)c2c1nnc(c2)c1c(F)cccc1F 0.446 0.733 0.373 0.682 0.506 0.602 0.856 0.356 0.451 0.9 0.103 Compound_165 OC(=O)C1CCC(CC1)C(=O)N1CC[C@@]2([C@H]1CN(C)c1c2ccc(c1)C(C(F)(F)F)(C(F)(F)F)F)S(=O)(=O)c1ccc(cc1)F 0.656 0.696 0.32 0.427 0.759 0.356 0.904 0.881 0.384 0.236 0.261 Compound_166 NC(=O)c1ccc(c(c1)c1cnc(c(c1)OCC1CCC1)N(C(=O)c1c(F)cccc1Cl)C)Cl 0.702 0.622 0.646 0.398 0.675 0.651 0.858 0.715 0.442 0.349 0.409 Compound_167 CN([C@@H]1CCN(C1)C(=O)C1CCc2c(C1)n(nc2C1=CCC(CC1)C(=O)O)C(=O)c1c(Cl)cccc1C1(CC1)C(F)(F)F)C 0.793 0.746 0.068 0.292 0.792 0.762 0.844 0.806 0.333 0.685 0.383 Compound_168 CC(=O)N[C@@H]1C[C@@H](C1)NC(=O)C1CC[C@@]2([C@H]1CCc1c2ccc(c1)C(C(F)(F)F)(C(F)(F)F)F)S(=O)(=O)c1ccc(cc1)F 0.582 0.507 0.05 0.385 0.693 0.653 0.684 0.784 0.406 0.811 0.401 Compound_169 C[C@@H]1Oc2ncc(cc2N(C1)S(=O)(=O)c1cccc(c1)C)NC(=O)C(c1ccc(cc1)F)C 0.619 0.591 0.761 0.453 0.157 0.654 0.519 0.525 0.433 0.899 0.5 Compound_170 CCS(=O)(=O)c1ccc(nc1)C(C(=O)Nc1ccc(cc1)C(C(F)(F)F)(C(F)(F)F)O)NC(=O)C 0.387 0.429 0.393 0.552 0.608 0.451 0.131 0.475 0.317 0.142 0.361 Compound_171 N#Cc1ccc(cc1Cl)NC(=O)CC(CC(=O)Nc1ccc2c(c1)c(=O)n(c(=O)n2CC)CC)C 0.577 0.559 0.826 0.631 0.856 0.799 0.954 0.754 0.742 0.959 0.792 Compound_172 CC(CN(S(=O)(=O)Cc1ccccc1)Cc1ccc(cc1)N1CCN(CC1)C(=O)C1CC1)C 0.223 0.656 0.577 0.54 0.382 0.873 0.313 0.838 0.41 0.059 0.226 Compound_173 O=C(OC(C)(C)C)Nc1cccc(c1)COC(C(F)(F)F)(C(F)(F)F)c1ccc(cc1)C1(CCCC1)S(=O)(=O)c1ccc(cc1)F 0.75 0.605 0.367 0.647 0.934 0.89 0.72 0.897 0.395 0.734 0.447 Compound_174 OC(=O)CC[C@@H]1Oc2ccc(cc2N(C1)S(=O)(=O)c1cccc(c1)S(F)(F)(F)(F)F)NC(=O)OC(C(F)(F)F)(C)C 0.601 0.639 0.27 0.644 0.619 0.634 0.776 0.84 0.302 0.103 0.571 Compound_175 O=C(OC(C(F)(F)F)(C)C)Nc1ccc2c(c1)N(C[C@@H](O2)CNC(=O)C1(N)CCCC1)S(=O)(=O)c1ccc(cc1)F 0.677 0.649 0.645 0.518 0.623 0.685 0.044 0.797 0.344 0.115 0.461 Compound_176 COc1cc(CCC(F)(F)F)ccc1c1n(CC)nc(c1Cl)C(=O)NC[C@]1(O)CC[C@H](CC1)S(=O)(=O)C 0.724 0.679 0.129 0.561 0.677 0.697 0.61 0.974 0.435 0.99 0.435 Compound_177 Fc1cccc(c1c1nnc2c(c1)[C@@H]1CC[C@]2(C1(C)C)c1cncc(n1)c1occ(n1)CNS(=O)(=O)C)F 0.637 0.708 0.745 0.478 0.681 0.652 0.994 0.853 0.419 0.598 0.55 Compound_178 O=C(OC(C)(C)C)NC1Cc2ncc(cc2N(C1)S(=O)(=O)c1cccc(c1)C(F)(F)F)NC(=O)c1c(Cl)cccc1Cl 0.664 0.549 0.294 0.555 0.584 0.761 0.923 0.895 0.384 0.73 0.601 Compound_179 COc1cc(ccc1F)S(=O)(=O)N1C[C@H](CCC(=O)O)Oc2c1cc(cc2)NC(=O)O[C@@H](C(F)(F)F)C(C)(C)C 0.67 0.669 0.928 0.667 0.674 0.65 0.776 0.801 0.328 0.946 0.523 Compound_180 CNC(=O)C[C@@H]1Oc2ccc(cc2N(C1)S(=O)(=O)c1cccc(c1)C(F)(F)F)NC(=O)OCC(C)(C)C 0.634 0.659 0.844 0.611 0.472 0.613 0.291 0.94 0.35 0.946 0.541 Compound_181 O=C(c1ccc(c(c1C)Cc1cc2c(n1C)cc(cc2C)C(F)(F)F)C)N1CCOCC1 0.435 0.714 0.762 0.511 0.715 0.785 0.992 0.706 0.45 0.596 0.463 Compound_182 O=C(C1CC[C@@]2([C@H]1CCc1c2ccc(c1)C(C(F)(F)F)(C(F)(F)F)F)S(=O)(=O)c1ccc(cc1)F)N[C@H]1CC[C@@H](C1)C(=O)O 0.547 0.478 0.175 0.377 0.599 0.649 0.637 0.768 0.394 0.415 0.33 Compound_183 O=C(C1CC[C@@]2([C@H]1CCc1c2ccc(c1)C(C(F)(F)F)(C(F)(F)F)F)S(=O)(=O)c1ccc(cc1)F)N[C@@H]1C[C@H](C1)C(=O)O 0.545 0.468 0.175 0.342 0.767 0.652 0.721 0.773 0.399 0.415 0.399 Compound_184 O[C@@H]1C[C@H](C1)NC(=O)c1nc(c(s1)c1c[nH]c(=NC2(C)CCC2)cc1C(F)F)C(=O)N1C2CCC1CC2 0.644 0.478 0.109 0.429 0.668 0.652 0.101 0.84 0.282 0.006 0.2 Compound_185 OCCOc1nn2c(c1S(=O)(=O)N1C[C@H](CNC(=O)C)Oc3c1cc(cc3)NC(=O)OC(C(F)(F)F)(C)C)cccc2 0.69 0.709 0.023 0.533 0.601 0.641 0.75 0.619 0.368 0.402 0.444 Compound_186 CC(=O)Nc1cc(C)c2c(c1)n(C)c(c2)Cc1c(Cl)ccc(c1Cl)C(=O)N1CCOCC1 0.636 0.709 0.449 0.593 0.852 0.747 0.992 0.492 0.432 0.819 0.435 Compound_187 Cc1nccc(c1)C(c1cncn1C)(c1ccc2c(c1)c(Cl)c(c(n2)Cl)c1ccccc1)O 0.455 0.716 0.289 0.729 0.719 0.674 0.918 0.841 0.591 0.244 0.863 Compound_188 OC(=O)C1CC(C1)NC(=O)c1nc(c(s1)c1cc(cc(c1)C(C(F)(F)F)(C(F)(F)F)O)C(C)(C)C)CC1CCCCC1 0.546 0.678 0.048 0.543 0.671 0.656 0.675 0.95 0.39 0.885 0.293 Compound_189 CC(=O)NC[C@@H]1Oc2ccc(cc2N(C1)S(=O)(=O)c1cc(cnc1Cl)C(F)(F)F)NC(=O)OC(C)(C)C 0.647 0.549 0.161 0.553 0.47 0.618 0.427 0.928 0.398 0.899 0.581 Compound_190 OCC1CCc2c(C1)n(nc2C1=CCC(CC1)C(=O)O)C(=O)c1c(ccc(c1Cl)F)C1CC1 0.773 0.677 0.557 0.383 0.793 0.767 0.444 0.788 0.389 0.351 0.417 Compound_191 CC(=O)NC[C@@H]1Oc2ccc(cc2N(C1)S(=O)(=O)c1ccc(cc1)F)NC(=O)OC(C(c1ccccc1)(C)C)C(F)(F)F 0.658 0.549 0.778 0.639 0.791 0.646 0.238 0.811 0.367 0.805 0.532 Compound_192 CC(=O)N1CCN(CC1)c1ccc(c(c1)F)CN(S(=O)(=O)c1cccc(c1Cl)Cl)C1CCC1 0.387 0.629 0.433 0.568 0.696 0.655 0.11 0.991 0.406 0.268 0.368 Compound_193 O=C(N1CCC(C1)(C)O)C1CCc2c(C1)n(nc2C1=CCC(CC1)C(=O)O)C(=O)c1c(Cl)cccc1C1CC1 0.779 0.808 0.228 0.402 0.738 0.741 0.732 0.807 0.363 0.79 0.491 Compound_194 N#CCC[C@]1(C)COc2c(C1)cc(c(c2)N1CCOCC1)NC(=O)c1cnn2c1nccc2 0.607 0.706 0.028 0.5 0.55 0.672 0.617 0.782 0.47 0.088 0.601 Compound_195 OC1CN(C1)c1ccc(cn1)c1cncc(n1)[C@@]12CC[C@H](C2(C)C)c2c1nnc(c2)c1c(F)cccc1F 0.611 0.607 0.332 0.598 0.672 0.644 0.936 0.848 0.395 0.032 0.362 Compound_196 CCc1ccc(cc1)N(S(=O)(=O)c1ccc(c(c1)S(=O)(=N)C)NC[C@@H]1[C@@H]2[C@H]1COC2)CC(C)C 0.366 0.518 0.618 0.336 0.539 0.621 0.471 0.147 0.236 0.788 0.493 Compound_197 CCC1N(C[C@@H]2CC[C@H](CC2)C(F)(F)F)Cc2c1ccc(c2)C(=O)N[C@H](c1ccc(cc1)S(=O)(=O)CC)COC(=O)N 0.533 0.606 0.023 0.216 0.506 0.668 0.949 0.505 0.398 0.509 0.395 Compound_198 Fc1cccc(c1c1nnc2c(c1)[C@@H]1CC[C@]2(C1(C)C)c1cncc(n1)c1ccn(n1)CCNS(=O)(=O)C)F 0.606 0.728 0.141 0.397 0.652 0.632 0.988 0.861 0.41 0.776 0.624 Compound_199 CCS(=O)(=O)c1ccc(cc1)CNC(=O)c1cnc2c(c1)[C@@H](C)N(C2C(C)C)Cc1ccc(cc1)C(F)(F)F 0.432 0.599 0.151 0.264 0.562 0.583 0.961 0.968 0.393 0.241 0.306 Compound_200 O=COC(Cc1nnc(o1)c1nc(c(s1)c1ccc(cc1OC(F)(F)F)S(=O)(=O)N[C@H](C(F)(F)F)CC)CC1CCC1)(C)C 0.566 0.549 0.587 0.453 0.69 0.652 0.945 0.736 0.388 0.943 0.429 Compound_201 CC[C@@H](C(F)(F)F)N=c1[nH]cc(c(c1)C(F)F)c1sc(nc1C(=O)N1CC(C[C@@H]1C)(F)F)C(=O)N[C@@H](CO)C 0.647 0.418 0.442 0.455 0.395 0.61 0.066 0.278 0.231 0.078 0.209 Compound_202 C[C@H]1CCCN1C(=O)c1nc(sc1c1c[nH]c(=NC(C(F)(F)F)C)cc1C(F)F)C(=O)N[C@H](C(O)(C)C)C 0.613 0.458 0.224 0.463 0.429 0.613 0.039 0.863 0.234 0.069 0.221 Compound_203 CCn1nc(c(c1c1ccc(cc1OC(F)F)CC(C(F)(F)F)(C)C)Cl)C(=O)NC[C@@H]1CC[C@@H](CN1)S(=O)(=O)C 0.676 0.749 0.013 0.403 0.678 0.746 0.726 0.571 0.411 0.997 0.381 Compound_204 FC(CN(C(=O)c1ccc(=O)[nH]n1)C[C@@]12CC[C@H](C2(C)C)c2c1nnc(c2)c1c(F)cccc1F)F 0.505 0.703 0.124 0.523 0.604 0.569 0.109 0.429 0.511 0.044 0.098 Compound_205 N#Cc1ccc(cc1)[C@@H](N1Cc2c([C@@H]1C(C)C)[nH]c(=NC(=O)Cc1ccc(cc1)S(=O)(=O)C)s2)C 0.413 0.579 0.059 0.284 0.391 0.66 0.312 0.148 0.389 0.477 0.402 Compound_206 C[C@@H]1Oc2ncc(cc2N(C1)S(=O)(=O)c1cccc(c1)C)NC(=O)C(c1ccccc1C)C 0.589 0.576 0.355 0.4 0.114 0.648 0.514 0.35 0.38 0.747 0.306 Compound_207 CCCn1nc(c(c1c1ccc(cc1OC)C[C@@H](C(F)(F)F)C)Cl)C(=O)NC[C@@H]1CC[C@H](CC1)S(=O)(=O)C 0.7 0.659 0.24 0.568 0.646 0.749 0.677 0.959 0.453 0.973 0.314 Compound_208 CCN(C(=O)c1ccc(cc1)S(=O)(=O)NC)C[C@@]12CC[C@H](C2(C)C)c2c1nnc(c2)c1c(F)cccc1F 0.409 0.789 0.014 0.459 0.596 0.615 0.495 0.741 0.361 0.922 0.393 Compound_209 Fc1ccc(cc1)S(=O)(=O)[C@]1(CC[C@H](C1)NC(=O)N1CCOCC1)c1ccc(cc1)C(C(F)(F)F)(C(F)(F)F)F 0.396 0.514 0.206 0.407 0.644 0.561 0.458 0.593 0.398 0.534 0.315 Compound_210 O=C(NS(=O)(=O)c1ccccn1)C[C@@H]1Oc2ccc(cc2N(C1)S(=O)(=O)c1cccc(c1)C(F)(F)F)NC(=O)OC(C)(C)C 0.641 0.609 0.153 0.483 0.566 0.649 0.918 0.922 0.334 0.896 0.529 Compound_211 CC(=O)NC[C@@H]1Oc2ccc(cc2N(C1)S(=O)(=O)c1cnc2n1cccc2)NC(=O)OC(C)(C)C 0.672 0.609 0.029 0.543 0.477 0.638 0.223 0.882 0.378 0.861 0.373 Compound_212 CCN(C(=O)C1CC[C@](C1)(c1ccc(cc1)C(C(F)(F)F)(C(F)(F)F)F)S(=O)(=O)c1ccc(cc1)F)CC 0.429 0.556 0.368 0.587 0.424 0.646 0.783 0.777 0.352 0.88 0.205 Compound_213 Oc1n(cc2c1cc(N1CCN(CC1)CC(F)(F)C)c(c2)NC(=O)c1cnn2c1nccc2)C[C@H](C(O)(C)C)F 0.595 0.797 0.115 0.431 0.67 0.65 0.994 0.683 0.409 0.733 0.352 Compound_214 O=C(OC(C)(C)C)Nc1ccc2c(c1)N(C[C@@H](O2)CNC(=O)C(C)C)S(=O)(=O)c1ccc(cc1)F 0.638 0.619 0.579 0.578 0.372 0.639 0.043 0.798 0.348 0.793 0.541 Compound_215 CCn1nc(c(c1)S(=O)(=O)N1C[C@H](CNC(=O)C)Oc2c1cc(cc2)NC(=O)OC(C(F)(F)F)(C)C)OC(C)C 0.695 0.618 0.366 0.539 0.5 0.612 0.403 0.921 0.388 0.703 0.465 Compound_216 OC[C@@H](c1ccc(cc1)S(=O)(=O)C)NC(=O)c1ccc2c(c1)nc(n2Cc1cccc2c1OC(O2)(F)F)C(F)F 0.415 0.426 0.511 0.367 0.729 0.676 0.987 0.357 0.383 0.347 0.367 Compound_217 CC(=O)C(NC1Cc2ncc(cc2N(C1)S(=O)(=O)c1cccc(c1)C)NC(=O)c1c(Cl)cccc1Cl)O 0.662 0.561 0.274 0.421 0.443 0.744 0.602 0.314 0.394 0.184 0.301 Compound_218 CCOc1nn(cc1S(=O)(=O)N1C[C@H](CNC(=O)C(O)(C)C)Oc2c1cc(cc2)NC(=O)OC(C(F)(F)F)(C)C)CC(F)F 0.717 0.678 0.336 0.519 0.566 0.615 0.315 0.529 0.331 0.636 0.489 Compound_219 CCN(S(=O)(=O)c1ccc(cc1)S(=O)(=O)C)C[C@@]12CC[C@H](C2(C)C)c2c1nnc(c2)c1c(F)cccc1F 0.428 0.739 0.089 0.638 0.583 0.646 0.769 0.467 0.402 0.963 0.423 Compound_220 OC[C@@H](c1ccc(cn1)S(=O)(=O)CC)NC(=O)c1ccc2c(c1)cc(n2CC)C[C@@H]1CC[C@H](CC1)C(F)(F)F 0.59 0.624 0.804 0.586 0.48 0.772 0.977 0.331 0.293 0.178 0.332 Compound_221 COc1cc(=NCCSC(F)(F)F)[nH]cc1c1n(CC)nc(c1C)C(=O)NC[C@@H]1CC[C@H](CC1)S(=O)(=O)C 0.672 0.569 0.7 0.423 0.526 0.69 0.342 0.615 0.437 0.766 0.283 Compound_222 CCC(=O)NCC[C@@H]1Oc2ccc(cc2N(C1)S(=O)(=O)c1ccc(cc1)F)NC(=O)OCC(C)(C)C 0.653 0.629 0.819 0.586 0.364 0.679 0.139 0.709 0.364 0.928 0.5 Compound_223 FC(COc1cc2c(cc1NC(=O)c1cnn3c1nccc3)cn(c2O)C[C@H](C(O)(C)C)F)F 0.686 0.686 0.179 0.483 0.693 0.65 0.986 0.604 0.377 0.107 0.652 Compound_224 C[C@H]1CCCN1C(=O)c1nc(sc1c1c[nH]c(=NC2CCCC2)cc1C(F)F)C(=O)NCC1(O)COC1 0.633 0.468 0.093 0.376 0.423 0.542 0.033 0.688 0.301 0.097 0.274 Compound_225 CC(NS(=O)(=O)NC[C@@H]1Oc2ccc(cc2N(C1)S(=O)(=O)c1ccc(cc1)F)NC(=O)OC(C(F)(F)F)(C)C)C 0.67 0.569 0.877 0.615 0.716 0.666 0.462 0.875 0.357 0.701 0.52 Compound_226 O=C1N(c2ccc(cc2)C(=O)O)c2c(/C/1=C/c1c(Cl)cccc1Cl)c(Cl)ccc2 0.487 0.751 0.294 0.348 0.975 0.949 0.996 0.649 0.41 0.95 0.783 Compound_227 CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1ccc(cc1)OC1(CCOCC1)c1ccc(cc1Cl)Cl 0.441 0.655 0.982 0.684 0.928 0.772 0.665 0.864 0.376 0.913 0.308 Compound_228 O=C(OC(C(F)(F)F)(C)C)Nc1ccc2c(c1)N(C[C@@H](O2)CNS(=O)(=O)C1CC1)S(=O)(=O)c1cn(nc1C)C(F)F 0.71 0.614 0.215 0.63 0.649 0.636 0.471 0.969 0.393 0.886 0.589 Compound_229 OC(=O)CC[C@@H]1Oc2ccc(cc2N(C1)S(=O)(=O)c1cccc(c1)C(F)(F)F)NC(=O)OC(C(F)(F)F)(C)C 0.668 0.639 0.437 0.656 0.568 0.597 0.901 0.917 0.313 0.103 0.523 Compound_230 CCn1nc(c(c1)S(=O)(=O)N1C[C@H](CNC(=O)C)Oc2c1cc(cc2)NC(=O)OC(C)(C)C)C 0.664 0.629 0.145 0.58 0.351 0.599 0.078 0.924 0.387 0.743 0.416 Compound_231 O=C(OC(C(F)(F)F)(C)C)Nc1ccc2c(c1)N([C@@H]([C@@H](O2)CNS(=O)(=O)C)C)S(=O)(=O)c1cn(nc1C)C(F)F 0.704 0.614 0.091 0.671 0.605 0.624 0.638 0.963 0.404 0.735 0.639 Compound_232 OC[C@H](Cn1nc(cc1C)c1cncc(n1)[C@@]12CC[C@H](C2(C)C)c2c1nnc(c2)c1c(F)cccc1F)O 0.603 0.694 0.4 0.603 0.664 0.624 0.93 0.223 0.415 0.039 0.465 Compound_233 Fc1ccc(cc1)S(=O)(=O)[C@@]1(CC[C@@H](CC1)NC(=O)c1cccnc1)c1ccc(cc1)C(C(F)(F)F)(C(F)(F)F)O 0.337 0.463 0.255 0.494 0.789 0.505 0.697 0.114 0.331 0.131 0.252 Compound_234 CCS(=O)(=O)c1ccc(cc1)CC(=O)N=c1[nH]c(c(s1)C(=O)c1ccccc1Cl)c1cccc(c1)Cl 0.553 0.571 0.869 0.638 0.638 0.8 0.968 0.431 0.397 0.651 0.263 Compound_235 Fc1ccc(cc1)S(=O)(=O)[C@@]12CC[C@H]([C@@H]1CCc1c2ccc(c1)C(C(F)(F)F)(C(F)(F)F)F)NC(c1ccc([nH]1)O)O 0.689 0.422 0.138 0.37 0.716 0.651 0.857 0.47 0.391 0.671 0.384 Compound_236 N#Cc1ccc(cc1Cl)NC(=O)CC(CC(=O)Nc1ccc2c(c1)c(=O)n(c(=O)n2CC1CC1)CC1CC1)C 0.452 0.45 0.809 0.555 0.877 0.704 0.951 0.766 0.676 0.353 0.625 Compound_237 O=C(OC(C(F)(F)F)(C)C)Nc1ccc2c(c1)N(C[C@@H](O2)CNC(=O)C1(C)CC1)S(=O)(=O)c1ccc(cc1)F 0.654 0.599 0.948 0.6 0.693 0.613 0.115 0.858 0.378 0.931 0.481 Compound_238 O=C(NC(c1ccc(cc1C)C)c1ccccc1)Cc1ccc2c(c1)cc(o2)C(c1c(C)noc1C)O 0.257 0.658 0.992 0.45 0.553 0.822 0.905 0.76 0.388 0.519 0.637 Compound_239 FC(Oc1cc(F)cc(c1)c1ccc2c(c1)N(C[C@@H](O2)CC1(CCOCC1)C(=O)O)S(=O)(=O)c1cccc(c1)C(F)(F)F)F 0.663 0.65 0.8 0.5 0.77 0.635 0.943 0.701 0.353 0.498 0.46 Compound_240 COc1nc2ccc(cc2c(c1CC(C)C)Cl)[C@](c1cnc(n1C)C)(c1cnnn1C)O 0.63 0.7 0.115 0.543 0.646 0.65 0.982 0.809 0.55 0.951 0.481 Compound_241 CCn1nc(c(c1c1ccc(cc1OC(F)F)[C@@H](C1(CC1)C(F)(F)F)O)Cl)C(=O)NC[C@]1(O)CC[C@H](CC1)S(=O)(=O)C 0.715 0.729 0.039 0.424 0.751 0.686 0.559 0.814 0.405 0.884 0.446 Compound_242 OC1CC(C1)C(=O)N=c1cc(n([nH]1)C(C)C)c1ccc(c(c1)N1CC2C(C1)C2)N(C(=O)c1c(F)cccc1Cl)C 0.707 0.525 0.053 0.466 0.75 0.665 0.403 0.477 0.423 0.24 0.175 Compound_243 CCn1nc(c(c1c1cnc(cc1OC(F)F)CC(C(F)(F)F)(C)C)Cl)C(=O)NC[C@@H]1CC[C@H](CC1)C 0.644 0.698 0.382 0.501 0.647 0.708 0.649 0.956 0.452 0.834 0.25 Compound_244 O=C(N1CCC2(C1)CCN2C)C1CCc2c(C1)n(nc2C1=CCC(CC1)C(=O)O)C(=O)c1c(Cl)cccc1C1CC1 0.798 0.736 0.49 0.293 0.689 0.679 0.941 0.614 0.369 0.663 0.399 Compound_245 Fc1ccc(cc1)S(=O)(=O)[C@@]12CC[C@H]([C@@H]1CCc1c2ccc(c1)C(C(F)(F)F)(C(F)(F)F)F)NC(=O)C1(F)CCS(=O)(=O)CC1 0.597 0.561 0.212 0.434 0.578 0.578 0.404 0.553 0.397 0.582 0.234 Compound_246 N#Cc1cc(ccc1F)C(=O)Nc1cnc2c(c1C)c(cn2C)[C@@H]1CCN(C(C1)(C)C)C(=O)C1CCCC1 0.614 0.731 0.861 0.55 0.368 0.763 0.954 0.868 0.493 0.825 0.312 Compound_247 FC(CN(C(=O)c1ccc(=O)[nH]c1)C[C@@]12CC[C@H](C2(C)C)c2c1nnc(c2)c1c(F)cccc1F)F 0.495 0.749 0.071 0.591 0.605 0.57 0.109 0.605 0.504 0.02 0.22 Compound_248 OC[C@H](COC(c1cc(F)c(cc1F)CN1[C@@H](C)CC[C@@H](S1(=O)=O)c1ccccc1)(C)C)O 0.485 0.619 0.08 0.589 0.161 0.719 0.284 0.074 0.39 0.805 0.483 Compound_249 CCn1nc(c(c1c1ccc(cc1OC(F)F)C[C@@H](C(F)(F)F)C)C)C(=O)NC[C@]1(O)CC[C@H](C[C@H]1O)S(=O)(=O)C 0.719 0.709 0.152 0.574 0.673 0.656 0.623 0.956 0.399 0.905 0.409 Compound_250 CCC(OC(=O)Nc1ccc2c(c1)N(C[C@@H](O2)CNC(=O)C)S(=O)(=O)c1cn(nc1C)C(F)F)C 0.693 0.589 0.415 0.568 0.465 0.587 0.295 0.921 0.391 0.831 0.5 Compound_251 CC(Cc1noc(c1)c1onc(c1C1CC1)C(CC(=O)Nc1ccc(cc1Cl)C)CCC(=O)O)C 0.549 0.667 0.462 0.341 0.778 0.656 0.994 0.335 0.387 0.4 0.332 Compound_252 O=C(c1nc(c(s1)c1ccc(c2c1cccc2)S(=O)(=O)NC(C)(C)C)CC1CCCCC1)NC1CS(=O)(=O)C1 0.466 0.542 0.125 0.463 0.538 0.668 0.945 0.922 0.371 0.961 0.35 Compound_253 O[C@@H]1CCC[C@H]1NC(=O)c1nc(c(s1)c1c[nH]c(=N[C@H](C(F)(F)F)C)cc1C(F)F)C(=O)N1CC(C[C@@H]1C)(F)F 0.654 0.48 0.185 0.512 0.444 0.588 0.09 0.822 0.139 0.001 0.123 Compound_254 OC[C@@H](c1ccc(cn1)S(=O)(=O)CC)NC(=O)c1ccc2c(c1)cc(n2CC)C(=O)c1ccc(cn1)C(F)(F)F 0.555 0.516 0.826 0.542 0.687 0.614 0.998 0.509 0.238 0.043 0.393 Compound_255 N#Cc1cccc(c1)c1[nH]c(=NC(=O)Cc2ccc(cc2)S(=O)(=O)CC)sc1Oc1ccccc1C(F)(F)F 0.641 0.516 0.345 0.517 0.654 0.749 0.982 0.333 0.383 0.165 0.447 Compound_256 CC[C@@H](C(F)(F)F)N=c1[nH]cc(c(c1)C(F)F)c1sc(nc1C(=O)N1C2CCC1CC2)C(=O)N[C@H]1CC[C@@H](C1)O 0.636 0.391 0.16 0.455 0.584 0.653 0.101 0.427 0.181 0.004 0.224 Compound_257 OCCC1Oc2ccc(cc2N(C1)S(=O)(=O)c1cccc(c1)C(F)(F)F)NC(=O)OC(C)(C)C 0.604 0.629 0.386 0.593 0.43 0.624 0.781 0.687 0.287 0.693 0.53 Compound_258 O=C(N1CC2(C1)CCO2)C1CCc2c(C1)n(nc2C1=CCC(CC1)C(=O)O)C(=O)c1c(Cl)cccc1C1CC1 0.795 0.692 0.118 0.367 0.737 0.689 0.811 0.642 0.357 0.643 0.426 Compound_259 CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1ccc(cc1)CCN1CCCc2c1cc(cc2)CC(C)(C)C 0.405 0.584 0.179 0.486 0.782 0.608 0.945 0.333 0.395 0.713 0.134 Compound_260 Fc1cccc(c1c1nnc2c(c1)[C@@H]1CC[C@]2(C1(C)C)c1cncc(n1)c1occ(n1)[C@@H](N)C)F 0.57 0.733 0.471 0.606 0.68 0.653 0.99 0.499 0.608 0.425 0.27 Compound_261 OCCOc1nn(cc1S(=O)(=O)N1C[C@H](CNC(=O)C(O)(C)C)Oc2c1cc(cc2)NC(=O)OC(C(F)(F)F)(C)C)C(C)C 0.686 0.719 0.351 0.52 0.476 0.612 0.432 0.656 0.343 0.617 0.464 Compound_262 OC(=O)c1ccc(c(c1)F)c1nn(c2c1CCOC2)C(=O)c1c(Cl)cccc1C1CC1 0.598 0.755 0.454 0.529 0.84 0.728 0.953 0.338 0.425 0.13 0.435 Compound_263 CCn1nc(c(c1c1c[nH]c(=NC(CC(F)(F)F)(C)C)cc1OC(F)F)Cl)C(=O)NC[C@H]1CC[C@@H](C[C@@H]1O)S(=O)(=O)C 0.664 0.599 0.029 0.466 0.626 0.7 0.811 0.86 0.404 0.916 0.367 Compound_264 C[C@H](Cn1ncc(c1)c1cncc(n1)[C@@]12CC[C@H](C2(C)C)c2c1nnc(c2)c1c(F)cccc1F)O 0.531 0.767 0.281 0.57 0.658 0.622 0.891 0.627 0.48 0.059 0.36 Compound_265 OCC(c1cc(F)c(cc1F)CN1[C@@H](C)CC[C@@H](S1(=O)=O)c1ccccc1)c1ccccc1 0.416 0.517 0.077 0.558 0.316 0.722 0.237 0.348 0.379 0.018 0.403 Compound_266 O=C(C1CC1)N=c1cc(n([nH]1)C(C)C)c1ccc(c(c1)N1CC2C(C1)C2)N(C(=O)c1c(F)cccc1Cl)C 0.715 0.674 0.161 0.518 0.699 0.712 0.826 0.395 0.477 0.437 0.108 Compound_267 Fc1ccc(cc1)S(=O)(=O)N1CC(CC(=O)N=c2scn[nH]2)Sc2c1ccc(c2)C(C(F)(F)F)(C(F)(F)F)O 0.621 0.591 0.808 0.491 0.764 0.66 0.789 0.219 0.284 0.031 0.337 Compound_268 CC(N(C(=O)c1nc(sc1c1ccc(c(c1Cl)Cl)S(=O)(=O)N[C@H](C(F)(F)F)C)C(=O)NCC(O)(C)C)C(C)C)C 0.505 0.496 0.207 0.469 0.693 0.656 0.705 0.824 0.307 0.656 0.418 Compound_269 F[C@@H](C(O)(C)C)Cn1cc2c(c1O)cc(c(c2)NC(=O)c1cnn2c1nccc2)OC1CC1 0.685 0.646 0.079 0.553 0.686 0.651 0.936 0.631 0.396 0.059 0.568 Compound_270 Fc1cccc(c1c1nnc2c(c1)[C@@H]1CC[C@]2(C1(C)C)c1cncc(n1)c1cc[nH]c(=NS(=O)(=O)C)n1)F 0.588 0.599 0.233 0.52 0.533 0.61 0.957 0.518 0.451 0.581 0.664 Compound_271 Fc1ccc(cc1)S(=O)(=O)C1(CCCC1)c1ccc(cc1)C(c1ccccc1)(F)F 0.798 0.608 0.468 0.595 0.884 0.776 0.951 0.835 0.43 0.969 0.388 Compound_272 Fc1ccc(cc1)S(=O)(=O)C1(CCCC1)c1ccc(cc1)C(C(F)(F)F)(C(F)(F)F)OCc1ccc2c(c1)cccc2 0.721 0.641 0.695 0.638 0.934 0.812 0.869 0.903 0.405 0.938 0.492 Compound_273 CC[C@@H](C(F)(F)F)N=c1[nH]cc(c(c1)C(F)F)c1sc(nc1C(=O)N1CC(C[C@@H]1C)(F)F)C(=O)NC1CCS(=O)(=O)CC1 0.635 0.518 0.572 0.483 0.375 0.661 0.012 0.859 0.357 0.284 0.233 Compound_274 CCOc1sc(nc1S(=O)(=O)N1C[C@H](CC(C(=O)O)C)Oc2c1cc(cc2)NC(=O)OC(C(F)(F)F)(C)C)CC 0.682 0.638 0.183 0.654 0.55 0.649 0.794 0.976 0.312 0.808 0.485 Compound_275 CCS(=O)(=O)c1ccc(cc1)CC(=O)N=c1sc2c([nH]1)[C@@H](N(C2)Cc1ccc(cc1)F)C(C)C 0.452 0.639 0.124 0.279 0.385 0.656 0.14 0.232 0.367 0.803 0.378 Compound_276 O=C(OC(C(F)(F)F)(C)C)Nc1ccc2c(c1)N(CC(O2)c1n[nH]c(=O)o1)S(=O)(=O)c1cn(nc1C)C(F)F 0.666 0.586 0.178 0.564 0.586 0.631 0.673 0.843 0.387 0.753 0.537 Compound_277 Fc1ccc(cc1)S(=O)(=O)Nc1ccc2c(c1)c(cn2C)C1CCN(CC1)C(=O)C1CC1 0.542 0.648 0.664 0.487 0.239 0.693 0.986 0.734 0.306 0.097 0.37 Compound_278 O=C(OC(C(F)(F)F)(C)C)Nc1ccc2c(c1)N(C[C@@H](O2)CNS(=O)(=O)c1c(C)noc1C)S(=O)(=O)c1ccc(c(c1)Cl)F 0.666 0.544 0.933 0.44 0.747 0.659 0.581 0.94 0.379 0.828 0.64 Compound_279 O=C(OC(C(F)(F)F)(C)C)Nc1ccc2c(c1)N(C[C@@H](O2)CNC(=O)C1CC(C1)(F)F)S(=O)(=O)c1ccc(c(c1)Cl)F 0.681 0.529 0.98 0.599 0.746 0.652 0.134 0.891 0.389 0.356 0.598 Compound_280 O=C(C[C@@H]1Oc2ccc(cc2N(C1)S(=O)(=O)c1cccc(c1)C(F)(F)F)NC(=O)OC(C)(C)C)NCc1cnn(c1)C 0.627 0.629 0.152 0.602 0.533 0.617 0.651 0.68 0.354 0.93 0.523 Compound_281 Fc1ccc(cc1)S(=O)(=O)[C@]12CC[C@H]([C@@H]2CCc2c1ccc(c2)C(C(F)(F)F)(C(F)(F)F)F)n1c(=O)[nH]c(c1O)CC(O)(C)C 0.629 0.619 0.383 0.537 0.577 0.613 0.586 0.549 0.377 0.286 0.34 Compound_282 C[C@@H]([C@H](NC(=O)c1nc(c(s1)c1c[nH]c(=NC(C)(C)C)cc1C(F)(F)F)C(=O)N1CCC[C@@H]1C)C)O 0.61 0.458 0.04 0.427 0.261 0.609 0.079 0.865 0.237 0.069 0.221 Compound_283 C[C@H]1CCCCN1C(=O)c1nc(sc1c1c[nH]c(=N[C@H]2CCCCC2(F)F)cc1C(F)(F)F)C(=O)NCC(O)(C)C 0.637 0.559 0.055 0.413 0.481 0.672 0.083 0.781 0.308 0.26 0.179 Compound_284 O[C@@H]1C[C@H](O)CN(C1)C(=O)c1nc(c(s1)c1ccc(cc1OC(F)(F)F)C(C(F)(F)F)(C(F)(F)F)O)C(=O)N1CC(C[C@@H]1C)(F)F 0.697 0.589 0.668 0.809 0.544 0.702 0.517 0.628 0.269 0.39 0.677 Compound_285 CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1ccc(cc1)CCN1CCOc2c1cc(cc2)OC(C)C 0.547 0.67 0.534 0.524 0.786 0.558 0.925 0.566 0.393 0.983 0.198 Compound_286 CCn1nc(c(c1c1ccc(cc1OC(F)F)CC(C(F)(F)F)(C)C)Cl)C(=O)NC[C@@H]1CC[C@H](C[C@H]1O)S(=O)(=O)C 0.689 0.729 0.081 0.535 0.718 0.712 0.696 0.976 0.404 0.982 0.39 Compound_287 CC(=O)NC[C@@H]1Oc2ccc(cc2N(C1)S(=O)(=O)c1ccc(cc1)F)NC(=O)OC(C(C(F)(F)F)(F)F)C1CCCCC1 0.713 0.498 0.957 0.619 0.724 0.629 0.153 0.798 0.377 0.363 0.5 Compound_288 COc1cc(=NCCCC(F)(F)F)[nH]cc1c1n(CC)nc(c1Cl)C(=O)NC[C@@H]1CC[C@H](CC1)S(=O)(=O)C 0.688 0.579 0.443 0.422 0.586 0.754 0.656 0.708 0.45 0.851 0.294 Compound_289 C[C@H]1CCCN1C(=O)c1nc(sc1c1c[nH]c(=NC(C)(C)C)cc1C(F)(F)F)C(=O)N[C@H]1COCC1 0.628 0.599 0.088 0.412 0.405 0.653 0.044 0.833 0.387 0.433 0.291 Compound_290 N#Cc1ccc(nc1)CN1Cc2c([C@]1(C)C(C)C)[nH]c(=NC(=O)Cc1ccc(cc1)S(=O)(=O)CC)s2 0.482 0.639 0.099 0.238 0.4 0.658 0.057 0.597 0.373 0.301 0.423 Compound_291 CCS(=O)(=O)c1ccc(cc1)CC(=O)N=c1sc2c([nH]1)[C@@H](N(C2)[C@@H](c1cc(Br)ccc1F)C)C(C)C 0.516 0.649 0.203 0.344 0.667 0.645 0.155 0.289 0.393 0.911 0.429 Compound_292 FC(Oc1cc(ccc1c1n(nc(c1C)C(=O)NC[C@]1(O)CC[C@H](CC1)S(=O)(=O)C)CC(O)(C)C)CC(C(F)(F)F)(C)C)F 0.721 0.719 0.165 0.513 0.714 0.68 0.615 0.952 0.405 0.965 0.377 Compound_293 Fc1ccc(cc1)S(=O)(=O)[C@@]12CCN([C@@H]1CCc1c2ccc(c1)OCc1c(F)cccc1C(F)(F)F)C(=O)C1CCN(CC1)C(=O)N 0.664 0.555 0.335 0.364 0.83 0.732 0.821 0.465 0.387 0.081 0.319 Compound_294 Fc1ccc(cc1)S(=O)(=O)C1(CCCC1)c1ccc(cc1)C(C(F)(F)F)(C(F)(F)F)OCc1cc(Cl)ccc1F 0.698 0.713 0.551 0.671 0.955 0.86 0.601 0.717 0.395 0.962 0.577 Compound_295 C[C@H]1OC[C@@H](S(=O)(=O)N(C1)Cc1ccc(cc1F)N1CCN(CC1)C(=O)C)c1ccccc1 0.496 0.767 0.164 0.502 0.587 0.728 0.28 0.973 0.407 0.531 0.414 Compound_296 C[C@H]1CCCN1C(=O)c1nc(sc1c1c[nH]c(=N[C@H](C(F)(F)F)C2CC2)cc1C(F)F)C(=O)N[C@H](C(O)(C)C)C 0.644 0.498 0.297 0.473 0.5 0.64 0.039 0.822 0.328 0.11 0.254 Compound_297 CC(=O)N1CC2CC(C1)N2c1ccc2c(c1)CCN(C2)S(=O)(=O)N(Cc1c(F)cccc1Cl)C 0.431 0.628 0.72 0.531 0.647 0.654 0.313 0.954 0.407 0.556 0.467 Compound_298 COc1cc(ccc1F)S(=O)(=O)N1C[C@H](CNC(=O)C)Oc2c1cc(cc2)NC(=O)OCC1(CC1)C(F)(F)F 0.67 0.579 0.89 0.603 0.691 0.662 0.16 0.822 0.351 0.352 0.52 Compound_299 N#CCCC(=O)N1Cc2c(C1C(=O)Nc1ccc(cc1)C(C(F)(F)F)(C(F)(F)F)O)ccc(c2)S(=O)(=O)CC 0.432 0.558 0.239 0.571 0.754 0.612 0.902 0.702 0.392 0.663 0.533 Compound_300 COc1nc2ccc(cc2c(c1CN1CCC(CC1)(O)C(F)(F)F)Cl)[C@](c1cncn1C)(c1ccnc(c1)C(F)(F)F)O 0.612 0.656 0.268 0.359 0.813 0.664 0.992 0.295 0.386 0.248 0.66 Compound_301 Fc1cccc(c1COc1ccc2c(c1)N(CC2)S(=O)(=O)c1cccc(c1)C(F)(F)F)Cl 0.542 0.428 0.961 0.673 0.922 0.751 0.754 0.798 0.192 0.396 0.637 Compound_302 CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1ccc(c(c1)Cl)c1ccccc1 0.395 0.429 0.963 0.74 0.911 0.78 0.962 0.376 0.38 0.709 0.18 Compound_303 CCn1nc(c(c1)S(=O)(=O)N1[C@@H](C)[C@@H](Oc2c1cc(cc2)NC(=O)OC(C(F)(F)F)(C)C)CC(C(=O)O)(C)C)Cl 0.678 0.596 0.264 0.672 0.506 0.592 0.815 0.884 0.351 0.94 0.561 Compound_304 CCn1nc(c(c1)S(=O)(=O)N1C[C@H](CNC(=O)C(O)(C)C)Oc2c1cc(cc2)NC(=O)OC(C(F)(F)F)(C)C)OCC(F)F 0.711 0.678 0.488 0.519 0.566 0.615 0.315 0.521 0.343 0.636 0.489 Compound_305 CCS(=O)(=O)c1ccc(cc1)CC(=O)N=c1sc2c([nH]1)[C@@H](N(C2)CC1CCC(CC1)C(F)F)C(C)C 0.475 0.569 0.08 0.203 0.44 0.662 0.906 0.778 0.37 0.844 0.332 Compound_306 CCn1nc(c(c1c1ccc(cc1OC(F)F)CC(C(F)(F)F)(C)C)Cl)C(=O)NC[C@@H]1CC[C@H](CC1)S(=O)(=O)NC(=O)N 0.715 0.729 0.296 0.47 0.724 0.759 0.732 0.934 0.4 0.534 0.428 Compound_307 Clc1ccc(c(c1)S(=O)(=O)N(C1CCC1)Cc1ccc(cc1F)N1CCN(CC1)C(=O)C)Cl 0.378 0.629 0.469 0.64 0.711 0.655 0.13 0.89 0.407 0.268 0.368 Compound_308 N#Cc1cccc(c1)C(=O)Nc1cnc2c(c1C)c(cn2C)[C@@H]1CCN(C[C@@H]1C)C(=O)C1CCCC1 0.589 0.698 0.253 0.589 0.304 0.774 0.948 0.67 0.482 0.427 0.34 Compound_309 CC(CNC(=O)C[C@@H]1Oc2ccc(cc2N(C1)S(=O)(=O)c1cccc(c1)C(F)(F)F)NC(=O)OC(C)(C)C)C 0.614 0.589 0.221 0.521 0.485 0.65 0.393 0.823 0.341 0.852 0.5 Compound_310 CCS(=O)(=O)c1ccc(cc1)CC(=O)N=c1[nH]c2c(s1)CN([C@H]2C(C)C)Cc1ccc(cn1)OC(F)F 0.523 0.518 0.17 0.296 0.399 0.654 0.595 0.816 0.391 0.688 0.37 Compound_311 OCC1CCc2c(C1)n(nc2c1ccc(cc1F)C(=O)O)C(=O)c1c(Cl)cccc1C1CC1 0.623 0.669 0.288 0.516 0.877 0.769 0.916 0.31 0.403 0.13 0.537 Compound_312 CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1ccc2c(c1)ccn2CCc1ccc(cc1)OC(C)C 0.475 0.612 0.99 0.606 0.665 0.822 0.993 0.334 0.362 0.357 0.194 Compound_313 Fc1ccc(cc1)S(=O)(=O)N1C(C)COc2c1cc(cn2)NC(=O)c1c(Cl)cccc1C(F)(F)F 0.653 0.487 0.607 0.688 0.595 0.663 0.943 0.971 0.387 0.721 0.582 Compound_314 Fc1ccc(cc1)S(=O)(=O)[C@@]12CC[C@H]([C@@H]1CCc1c2ccc(c1)C(C(F)(F)F)(C(F)(F)F)F)NC(=O)N1CC(C1)(C)O 0.538 0.528 0.103 0.459 0.619 0.598 0.727 0.519 0.391 0.413 0.45 Compound_315 OC(=O)C1CCN(C(=O)C1)c1nn(c2c1c(F)ccc2)C(=O)c1c(Cl)cccc1C(F)(F)F 0.573 0.643 0.704 0.488 0.806 0.728 0.978 0.969 0.39 0.183 0.275 Compound_316 C[C@H]1CC[C@@H](S(=O)(=O)C1Cc1ccc(cc1F)N1CCC2(CC1)N(C)C(=O)N(C2=O)C)c1ccccc1 0.729 0.738 0.23 0.483 0.744 0.717 0.14 0.888 0.422 0.954 0.239 Compound_317 O=C(C1CC[C@@]2([C@H]1CCc1c2ccc(c1)C(C(F)(F)F)(C(F)(F)F)F)S(=O)(=O)c1ccc(cc1)F)NCC(O)(C)C 0.511 0.626 0.068 0.27 0.628 0.657 0.743 0.521 0.4 0.146 0.252 Compound_318 Fc1cccc(c1c1nnc2c(c1)[C@@H]1CC[C@]2(C1(C)C)c1cccc(n1)n1cnc(n1)CC1CS(=O)(=O)C1)F 0.644 0.607 0.134 0.584 0.669 0.646 0.957 0.929 0.536 0.023 0.518 Compound_319 CCS(=O)(=O)c1ccc(cc1)CNC(c1sc2c(n1)c(n(c2)Cc1ccc(cc1)Cl)C(C)C)O 0.605 0.536 0.935 0.334 0.559 0.688 0.971 0.336 0.341 0.541 0.296 Compound_320 CCn1nc(c(c1)S(=O)(=O)N1C[C@H](Oc2c1cc(cc2)N(C(C(F)(F)F)(C)C)C(=O)O)CC(C(=O)N)(C)C)Cl 0.695 0.619 0.277 0.388 0.491 0.596 0.666 0.128 0.381 0.887 0.524 Compound_321 N#Cc1cccc(c1)S(=O)(=O)N1C[C@@H](Oc2c1cc(cc2)NC(=O)O[C@H]1CC2CC1CC2)Cn1c(O)coc1=O 0.728 0.539 0.456 0.562 0.629 0.654 0.219 0.892 0.317 0.191 0.5 Compound_322 Fc1cc(ccc1c1nn(c2c1nccc2)C(=O)c1c(Cl)c(F)ccc1C1(CC1)C(F)(F)F)C(=O)O 0.487 0.644 0.441 0.545 0.825 0.67 0.994 0.946 0.431 0.137 0.637 Compound_323 OC(=O)CCNC(=O)C1Oc2ccc(cc2N(C1)S(=O)(=O)c1ccc(c(c1)Cl)F)NC(=O)OC(C)(C)C 0.67 0.619 0.759 0.475 0.657 0.648 0.11 0.59 0.386 0.763 0.575 Compound_324 FC1CC(C1)C(=O)NC[C@@H]1Oc2ccc(cc2N(C1)S(=O)(=O)c1ccc(cc1)F)NC(=O)OC(C(F)(F)F)(C)C 0.659 0.529 0.758 0.596 0.747 0.648 0.072 0.886 0.371 0.106 0.561 Compound_325 COc1nc2ccc(cc2c(c1OC(C1CC1)C)Cl)C(c1cnc(n1C)C)(c1cnc(n1C)C)O 0.655 0.647 0.141 0.565 0.668 0.642 0.961 0.657 0.52 0.791 0.592 Compound_326 CCCN(Cc1ccc(cc1)OC1CCCC1)Cc1ccc(cc1)NC(=O)Cc1ccc(cc1)S(=O)(=O)CC 0.315 0.475 0.316 0.384 0.804 0.9 0.726 0.405 0.382 0.059 0.116 Compound_327 Fc1cccc(c1c1nnc2c(c1)[C@@H]1CC[C@]2(C1(C)C)c1cncc(n1)c1cnc(nc1)CS(=O)(=O)C)F 0.497 0.588 0.559 0.576 0.668 0.647 0.979 0.929 0.437 0.211 0.382 Compound_328 OCC1CCC(C1)(c1ccc(cc1)C(C(F)(F)F)(C(F)(F)F)OCc1c(F)cccc1F)S(=O)(=O)c1ccc(cc1)F 0.636 0.603 0.15 0.647 0.925 0.679 0.615 0.183 0.374 0.93 0.39 Compound_329 Fc1cccc(c1c1nnc2c(c1)[C@@H]1CC[C@]2(C1(C)C)c1ccnc(n1)n1ccc(n1)C(F)F)F 0.652 0.555 0.551 0.703 0.671 0.638 0.962 0.648 0.438 0.024 0.59 Compound_330 N#Cc1cc(ccc1CC1CCN(CC1)C(=O)C(C)(C)C)c1ccc(cc1C(F)(F)F)NC(=O)Cc1ccc(cc1)S(=O)(=O)CC 0.505 0.6 0.592 0.662 0.858 0.579 0.914 0.861 0.407 0.79 0.431 Compound_331 CC[C@@H](C(F)(F)F)N=c1[nH]cc(c(c1)C(F)F)c1sc(nc1C(=O)N1CCC[C@@H]1C)C(=O)N[C@@H]1C[C@@H]1O 0.627 0.478 0.21 0.461 0.467 0.62 0.079 0.379 0.29 0.001 0.303 Compound_332 OC(=O)C1CC(C1)NC(=O)c1nc(c(s1)c1ccc(c(c1Cl)Cl)S(=O)(=O)NC(C)(C)C)CC1CCCCC1 0.505 0.654 0.038 0.386 0.697 0.653 0.9 0.778 0.39 0.988 0.334 Compound_333 CC(CC1CC(C1)c1nnc(n1C1CC1)C1C[C@@H](CC1C(=O)Nc1ccc(cc1C)C)O)C 0.468 0.643 0.691 0.508 0.5 0.664 0.103 0.392 0.41 0.415 0.372 Compound_334 CCC(N=c1[nH]cc(c(c1)C(F)F)c1sc(nc1C(=O)N1CCC[C@@H]1C)C(=O)NCC(O)(C)C)(C)C 0.616 0.529 0.087 0.39 0.314 0.666 0.143 0.78 0.409 0.085 0.264 Compound_335 O[C@@H]1CC[C@H]1NC(=O)c1nc(c(s1)c1c[nH]c(=NC(C)(C)C)cc1C(F)F)C(=O)N1CCC[C@@H]1C 0.63 0.559 0.063 0.459 0.413 0.645 0.079 0.859 0.287 0.028 0.245 Compound_336 CC(=O)N=c1cc(n([nH]1)CC(C)(C)C)c1ccc(c(c1)N1CC2C(C1)C2)N(C(=O)c1c(F)cccc1Cl)C 0.679 0.666 0.089 0.541 0.645 0.825 0.94 0.355 0.543 0.458 0.17 Compound_337 O=C(C1CC(C1)(c1ccc(cc1)C(C(F)(F)F)(C(F)(F)F)F)S(=O)(=O)c1ccc(cc1)F)NCC1CCOCC1 0.397 0.491 0.166 0.364 0.692 0.648 0.429 0.594 0.391 0.272 0.341 Compound_338 CCn1nc(c(c1c1ccc(cc1OC(F)F)CC(C(F)(F)F)(C)C)Cl)C(=O)NC[C@@]1(O)CC[C@H](C[C@@H]1O)S(=O)(=O)C 0.698 0.749 0.058 0.558 0.721 0.682 0.546 0.956 0.404 0.966 0.405 Compound_339 CCN(S(=O)(=O)c1ccc(c(c1)F)F)C[C@@]12CC[C@H](C2(C)C)c2c1nnc(c2)c1c(F)cccc1F 0.408 0.699 0.173 0.647 0.594 0.595 0.764 0.77 0.398 0.978 0.414 Compound_340 N#Cc1cc(ccc1OC)C(=O)Nc1cnc2c(c1C)c(cn2C)C1CCN(CC1)C(=O)C(C(C)(C)C)C 0.619 0.735 0.668 0.594 0.297 0.8 0.711 0.724 0.511 0.67 0.61 Compound_341 CCN(C(=O)CN1CC(C1)O)C[C@@]12CC[C@H](C2(C)C)c2c1nnc(c2)c1c(F)cccc1F 0.353 0.659 0.338 0.432 0.536 0.582 0.09 0.737 0.379 0.608 0.273 Compound_342 COc1nn(c(c1S(=O)(=O)N1C[C@H](CCC(=O)O)Oc2c1cc(cc2)NC(=O)OC(C(F)(F)F)(C)C)C)C 0.728 0.609 0.226 0.646 0.59 0.625 0.765 0.866 0.359 0.947 0.475 Compound_343 CN(CCNC(=O)C1CCc2c(C1)n(nc2c1ccc(cc1F)C(=O)O)C(=O)c1c(Cl)cccc1C1(CC1)C(F)(F)F)C 0.648 0.765 0.006 0.463 0.879 0.746 0.956 0.826 0.376 0.33 0.379 Compound_344 CC(=O)N=c1cc(n([nH]1)C(C)C)c1ccc(c(c1)N1CCCC1)N(C([2H])([2H])[2H])C(=O)c1c(F)cccc1Cl 0.697 0.667 0.077 0.538 0.539 0.818 0.757 0.348 0.608 0.702 0.077 Compound_345 OCC(c1ccc(cc1)S(=O)(=O)CC)NC(=O)c1ccc(cc1)CCN1CCCc2c1cc(cc2)CC(C)C 0.371 0.596 0.013 0.301 0.668 0.582 0.915 0.599 0.388 0.576 0.192 Compound_346 CCn1nc(c(c1c1ccc(cc1OC(F)F)C[C@H](C(F)(F)F)C)Cl)C(=O)NC[C@]1(O)CC[C@H](CC1)S(=O)(=O)C 0.709 0.719 0.154 0.514 0.731 0.691 0.691 0.956 0.401 0.99 0.419 Compound_347 N#Cc1cc(C)c2c(c1)n(C)c(c2)Cc1c(Cl)ccc(c1Cl)C(=O)N1CCC(C1)O 0.493 0.524 0.782 0.582 0.815 0.629 0.922 0.899 0.439 0.041 0.558 Compound_348 Fc1ccc(cc1)S(=O)(=O)[C@@]12CC[C@H]([C@@H]1CCc1c2ccc(c1)C(C(F)(F)F)(C(F)(F)F)F)NC(C(=O)C(F)(F)F)O 0.628 0.513 0.558 0.419 0.572 0.593 0.853 0.651 0.402 0.417 0.392 Compound_349 COc1nn2c(c1S(=O)(=O)N1C[C@@H](Oc3c1cc(cc3)NC(=O)OC(C(F)(F)F)(C)C)CC(C(=O)O)(C)C)CCC2 0.732 0.668 0.39 0.624 0.646 0.636 0.738 0.86 0.36 0.903 0.435 Compound_350 Fc1ccc(cc1)S(=O)(=O)[C@@]12CC[C@H]([C@@H]1CCc1c2ccc(c1)C(C(F)(F)F)(C(F)(F)F)F)NC(=O)c1ccc(=O)[nH]c1 0.586 0.549 0.051 0.401 0.614 0.585 0.801 0.615 0.424 0.206 0.364 Compound_351 FC1CCN(CC1)C(=O)c1nc(sc1c1c[nH]c(=N[C@@H](C2CC2)C)cc1C(F)(F)F)C(=O)NCC(O)(C)C 0.653 0.549 0.101 0.398 0.5 0.619 0.014 0.804 0.372 0.188 0.186 Compound_352 COc1cc(=NC(CC(F)(F)F)(C)C)[nH]cc1c1n(CC)nc(c1Cl)C(=O)NC[C@@H]1CC[C@H](CC1)S(=O)(=O)C 0.668 0.619 0.046 0.453 0.564 0.753 0.656 0.839 0.447 0.902 0.318 Compound_353 OC(=O)C[C@@H]1CCN(C[C@@H]1C)C(=O)c1ccc(c(c1Cl)C(=O)c1cc2c(n1C)nc(cc2C)C(F)(F)F)Cl 0.576 0.693 0.497 0.476 0.651 0.716 0.976 0.979 0.409 0.87 0.355 Compound_354 CC(=O)N[C@H]([C@@H]1Oc2ccc(cc2N(C1)S(=O)(=O)c1cn(nc1C)C(F)F)NC(=O)OC(C(F)(F)F)(C)C)C 0.709 0.616 0.552 0.602 0.566 0.604 0.403 0.942 0.362 0.872 0.607 Compound_355 CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1ccc(cc1)CCN1CCCc2c1cc(cc2)C(C)C 0.391 0.598 0.136 0.455 0.708 0.56 0.969 0.368 0.39 0.569 0.116 Compound_356 O=C(OC(C)(C)C)Nc1ccc2c(c1)N(C[C@@H](O2)Cn1cncn1)S(=O)(=O)c1cccc(c1)C(F)(F)F 0.621 0.591 0.528 0.683 0.397 0.667 0.971 0.852 0.343 0.833 0.549 Compound_357 C[C@H]1CCCN1C(=O)c1nc(sc1c1c[nH]c(=NC(C)(C)C)cc1C(F)(F)F)C(=O)N 0.563 0.539 0.018 0.412 0.261 0.656 0.168 0.745 0.344 0.085 0.168 Compound_358 COCCC1CCN(CC1)C(=O)c1ccc(c(c1Cl)Cc1cc2c(n1C)cc(cc2C)C#N)Cl 0.604 0.702 0.868 0.559 0.799 0.7 0.995 0.936 0.45 0.649 0.75 Compound_359 COCCc1cn(nc1CCS(=O)(=O)C)c1nccc(n1)[C@@]12CC[C@H](C2(C)C)c2c1nnc(c2)c1c(F)cccc1F 0.666 0.729 0.433 0.612 0.647 0.644 0.988 0.776 0.412 0.45 0.561 Compound_360 CCN(C(=O)c1ccc2c(c1)nc([nH]2)C)C[C@@]12CC[C@H](C2(C)C)c2c1nnc(c2)c1c(F)cccc1F 0.52 0.771 0.983 0.635 0.632 0.656 0.995 0.7 0.415 0.963 0.141 Compound_361 O=C(OC(C(F)(F)F)(C)C)Nc1ccc2c(c1)N(C[C@@H](O2)CNS(=O)(=O)N1CCOCC1)S(=O)(=O)c1ccc(cc1)F 0.673 0.558 0.73 0.639 0.72 0.654 0.333 0.916 0.377 0.117 0.546 Compound_362 OC(=O)c1ccc(c(c1)F)c1nn(c2c1nccc2)C(=O)c1c(C)cccc1N(C)C 0.454 0.715 0.691 0.492 0.577 0.542 0.987 0.514 0.491 0.709 0.198 Compound_363 Fc1cccc(c1c1nnc2c(c1)[C@@H]1CC[C@]2(C1(C)C)c1ccnc(n1)c1cc[nH]c(=NS(=O)(=O)C)c1)F 0.66 0.679 0.839 0.677 0.589 0.619 0.895 0.609 0.419 0.613 0.586 Compound_364 O=C(c1ccc(c(c1Cl)C(=O)c1cc2c(n1C)cc(cc2C)C(F)(F)F)Cl)N1CCN(CC1)C1COC1 0.527 0.565 0.935 0.37 0.666 0.615 0.932 0.82 0.415 0.136 0.397 Compound_365 CC(Cc1nnc(s1)c1onc(c1C1CC1)C(CC(=O)Nc1ccc(cc1Cl)C)CCC(=O)O)C 0.655 0.668 0.414 0.321 0.69 0.657 0.989 0.316 0.397 0.904 0.334 Compound_366 Clc1ccc(c(c1Cc1nc2n(c1C)nc(cc2C)C(F)(F)F)Cl)C(=O)N1CCC(CC1)C1COC1 0.584 0.628 0.023 0.554 0.645 0.735 0.973 0.969 0.447 0.356 0.368 Compound_367 CCN(C1Cc2ncc(cc2N(C1)S(=O)(=O)c1cccc(c1)C)NC(=O)c1c(Cl)cccc1Cl)CC 0.613 0.639 0.447 0.283 0.439 0.782 0.224 0.256 0.41 0.423 0.283 Compound_368 N#Cc1cccc(c1)C(=O)Nc1cnc2c(c1C(F)(F)F)c(cn2C)[C@@H]1CCN(C(C1)(C)C)C(=O)C1CCCC1 0.629 0.741 0.772 0.647 0.413 0.764 0.982 0.941 0.465 0.812 0.421 Compound_369 CCc1ccc(cc1)CN1Cc2c([C@@H]1C(C)C)[nH]c(=NC(=O)Cc1ccc(cc1)S(=O)(=O)CC)s2 0.398 0.579 0.055 0.19 0.24 0.696 0.541 0.128 0.365 0.515 0.289 Compound_370 OCC(Cc1nnc(o1)C[C@@H]1CCc2c(N1S(=O)(=O)c1ccc(cc1)F)ccc(c2)C(C(F)(F)F)(C(F)(F)F)O)O 0.672 0.616 0.685 0.578 0.709 0.627 0.85 0.109 0.377 0.04 0.5 Compound_371 OC[C@@H](c1ccc(cn1)S(=O)(=O)CC)NC(=O)c1ccc2c(c1)nc(n2Cc1cccc2c1OC(O2)(F)F)C1CCC1 0.599 0.473 0.028 0.468 0.671 0.652 0.986 0.532 0.301 0.308 0.4 Compound_372 CC[C@@H](C(F)(F)F)N=c1[nH]cc(c(c1)C(F)F)c1sc(nc1C(=O)N1CCC[C@@H]1C)C(=O)N[C@@H]([C@@H](O)C)C 0.624 0.408 0.21 0.449 0.398 0.596 0.079 0.379 0.171 0.039 0.234 Compound_373 N#Cc1cccc(c1)C(=O)Nc1cnc2c(c1C)c(cn2C)C1CCN(CC1)C(=O)C(C12CC(C1)C2)C 0.589 0.676 0.153 0.585 0.676 0.66 0.948 0.486 0.464 0.675 0.492 Compound_374 CCS(=O)(=O)c1ccc(cc1)CNC(=O)c1ccc2c(c1)nc(n2Cc1cccc(c1O)O)C1CC1 0.431 0.585 0.117 0.453 0.746 0.682 0.761 0.49 0.382 0.116 0.228 Compound_375 O=C(C[C@@H]1Oc2ccc(cc2N(C1)S(=O)(=O)c1cccc(c1)C(F)(F)F)NC(=O)OC(C)(C)C)NOCc1ccccc1 0.649 0.609 0.914 0.632 0.649 0.668 0.936 0.923 0.37 0.973 0.614 Compound_376 FC(Oc1cc(F)cc(c1)c1ccc2c(c1)N(CC2)S(=O)(=O)c1cccc(c1)C(F)(F)F)F 0.46 0.475 0.959 0.706 0.7 0.795 0.956 0.7 0.35 0.086 0.537 Compound_377 O=C1NC(=O)C2(N1)CCN(CC2)C(=O)C1CC(C1)(c1ccc(cc1)C(C(F)(F)F)(C(F)(F)F)F)S(=O)(=O)c1ccc(cc1)F 0.367 0.515 0.292 0.375 0.73 0.642 0.383 0.408 0.4 0.312 0.39 Compound_378 OC[C@@]1(CC[C@@H](CC1)S(=O)(=O)C)CNC(=O)c1nn(c(c1Cl)c1ccc(cc1OC)CC(C(F)(F)F)C)CC 0.718 0.709 0.129 0.579 0.676 0.756 0.746 0.907 0.42 0.977 0.418 Compound_379 Clc1cccc(c1)S(=O)(=O)N(C1CCC1)Cc1ccc(cc1F)N1CCN(CC1)C(=O)C 0.411 0.629 0.494 0.587 0.728 0.657 0.13 0.857 0.405 0.268 0.368 Compound_380 CC1CCN(C1)S(=O)(=O)NC[C@@H]1Oc2ccc(cc2N(C1)S(=O)(=O)c1ccc(c(c1)Cl)F)NC(=O)OC(C(F)(F)F)(C)C 0.675 0.658 0.964 0.627 0.75 0.664 0.72 0.943 0.392 0.906 0.561 Compound_381 O=COC(Cc1onc(n1)c1sc(c(n1)CC1CCCCC1)c1cc(cc(c1)C1(C)CC1)C(=O)N[C@H](C(F)(F)F)C)(C)C 0.669 0.699 0.174 0.543 0.61 0.713 0.986 0.811 0.42 0.988 0.517 Compound_382 N#CCCc1ncn(n1)c1nccc(n1)[C@@]12CC[C@H](C2(C)C)c2c1nnc(c2)c1c(F)cccc1F 0.622 0.545 0.216 0.605 0.667 0.645 0.962 0.83 0.445 0.003 0.699 Compound_383 CC(=O)N1CCN(CC1)c1ccc(c(c1)F)CN1CCCCN(S1(=O)=O)c1ccccc1 0.415 0.635 0.185 0.515 0.689 0.826 0.045 0.929 0.404 0.241 0.269 Compound_384 O=C(OC(C(F)(F)F)(C)C)Nc1ccc2c(c1)N(C[C@@H](O2)CC1(CC1)C(=O)O)S(=O)(=O)c1cccc(c1)C(F)(F)F 0.682 0.599 0.507 0.641 0.646 0.615 0.914 0.933 0.365 0.323 0.552 Compound_385 CCn1nc(c(c1c1ccc(cc1OC(F)F)C[C@@H](C(F)(F)F)C)Cl)C(=O)NC[C@@H]1CC[C@H](CC1)S(=O)(=O)C 0.687 0.659 0.425 0.53 0.709 0.725 0.704 0.955 0.417 0.973 0.314 Compound_386 CCn1nc(c(c1)S(=O)(=O)N1C[C@H](CNC(=O)C)Oc2c1cc(cc2)NC(=O)OC(C(F)(F)F)(C)C)OCC(F)F 0.699 0.628 0.247 0.559 0.576 0.601 0.381 0.892 0.373 0.609 0.49 Compound_387 OCCNC(=O)c1ccc2c(c1)n(nc2c1ccc(cc1)C(=O)O)C(=O)c1c(Cl)cccc1C(F)(F)F 0.415 0.739 0.803 0.437 0.872 0.766 0.987 0.318 0.287 0.325 0.723 Compound_388 CCOC(=O)NC1Cc2ncc(cc2N(C1)S(=O)(=O)c1cccc(c1)C(F)(F)F)NC(=O)c1c(Cl)cccc1Cl 0.672 0.478 0.866 0.56 0.565 0.764 0.899 0.906 0.37 0.365 0.549 Compound_389 OCCN(C(=O)c1noc(c1)C)C[C@@]12CC[C@H](C2(C)C)c2c1nnc(c2)c1c(F)cccc1F 0.526 0.718 0.325 0.653 0.647 0.629 0.88 0.282 0.419 0.167 0.266 Compound_390 OC[C@@H](c1ccc(cc1)S(=O)(=O)CC)NC(=O)c1cnc2c(c1)CN(C2CC)C[C@H]1CC[C@@H](OC1)C(F)(F)F 0.526 0.614 0.023 0.259 0.368 0.499 0.817 0.26 0.388 0.153 0.402 Compound_391 O[C@H]1COC[C@H]1NC(=O)c1nc(c(s1)c1c[nH]c(=NC2(C)CCC2)cc1C(F)(F)F)C(=O)N1CC(C[C@@H]1C)(F)F 0.692 0.534 0.114 0.435 0.592 0.649 0.052 0.67 0.305 0.101 0.276 Compound_392 O=C(OC(C(F)(F)F)(C)C)Nc1ccc2c(c1)N(C[C@H](O2)CCN1CCCC1=O)S(=O)(=O)c1cccc(c1)C(F)(F)F 0.644 0.588 0.322 0.641 0.555 0.626 0.91 0.941 0.342 0.582 0.5 Compound_393 CCN(C(=O)c1cnccn1)C[C@@]12CC[C@H](C2(C)C)c2c1nnc(c2)c1c(F)cccc1F 0.475 0.744 0.241 0.634 0.518 0.595 0.492 0.422 0.497 0.936 0.146 Compound_394 CO[C@H]1C[C@H]2N(C1)CCN(C2)c1cc2c(cc1NC(=O)c1cnn3c1nccc3)cn(c2O)C[C@H](C(O)(C)C)F 0.658 0.728 0.07 0.41 0.675 0.652 0.965 0.58 0.389 0.962 0.541 Compound_395 OC(=O)CCC1CN(c2c1ccc(c2)c1cc(F)cc(c1)OC(F)F)S(=O)(=O)c1cccc(c1)C(F)(F)F 0.574 0.539 0.709 0.442 0.701 0.772 0.997 0.201 0.369 0.132 0.39 Compound_396 CCn1nc(c(c1)S(=O)(=O)N1C[C@H](CCc2n[nH]c(=O)o2)Oc2c1cc(cc2)NC(=O)OC(C(F)(F)F)(C)C)Cl 0.671 0.579 0.596 0.607 0.545 0.621 0.819 0.739 0.392 0.97 0.495 Compound_397 CC(Oc1c(nc2c(c1Cl)cc(cc2)[C@@](c1cnc(n1C)C)(c1cnnn1C)O)N1CCC1)C 0.583 0.613 0.01 0.436 0.645 0.645 0.955 0.145 0.616 0.756 0.483 Compound_398 Fc1cccc(c1c1nnc2c(c1)[C@@H]1CC[C@]2(C1(C)C)c1ccnc(n1)c1cncn1CCS(=O)(=O)C)F 0.59 0.6 0.137 0.687 0.681 0.645 0.993 0.947 0.414 0.366 0.384 Compound_399 CC[C@@H](C(F)(F)F)N=c1[nH]cc(c(c1)C(F)F)c1sc(nc1C(=O)N1C2CCC1CC2)C(=O)N[C@@H]1COC[C@H]1O 0.655 0.443 0.207 0.393 0.586 0.66 0.066 0.518 0.249 0.218 0.375 Compound_400 CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1ccc(cc1)OC(c1ccc(cc1Cl)Cl)(C)C 0.29 0.533 0.969 0.703 0.935 0.796 0.616 0.789 0.374 0.93 0.317 Compound_401 OC(=O)CC1CCN(CC1)C(=O)c1ccc(c(c1Cl)Cc1cc2c(n1C)cc(cc2)OC(F)(F)F)Cl 0.505 0.573 0.796 0.456 0.942 0.779 0.982 0.482 0.409 0.554 0.67 Compound_402 CC(NC(=O)NC[C@@H]1Oc2ccc(cc2N(C1)S(=O)(=O)c1ccc(cc1)F)NC(=O)OC(C(F)(F)F)(C)C)C 0.643 0.579 0.871 0.598 0.728 0.628 0.354 0.713 0.333 0.46 0.53 Compound_403 OCCc1ncn(n1)c1nccc(n1)[C@@]12CC[C@H](C2(C)C)c2c1nnc(c2)c1c(F)cccc1F 0.601 0.635 0.659 0.639 0.645 0.638 0.865 0.535 0.42 0.003 0.663 Compound_404 N#Cc1cc(=NC2CCCCC2)[nH]cc1c1sc(nc1C(=O)N1CCC(CC1)F)C(=O)NCC(O)(C)C 0.666 0.52 0.063 0.417 0.378 0.628 0.006 0.736 0.439 0.005 0.187 Compound_405 O=C(OC(C(F)(F)F)(C)C)Nc1ccc2c(c1)N(C[C@@H](O2)CCN1CCCC1=O)S(=O)(=O)c1cccc(c1)C(F)(F)F 0.644 0.588 0.322 0.641 0.555 0.626 0.91 0.941 0.342 0.582 0.5 Compound_406 O=C1/C(=C\c2c(Cl)cccc2Br)/c2c(N1c1ccc(c(c1)O)C(=O)O)cccc2C 0.557 0.764 0.304 0.367 0.5 0.668 0.998 0.428 0.442 0.986 0.849 Compound_407 CCS(=O)(=O)c1ccc(cc1)CNC(=O)c1ccc2c(c1)nc(n2C1CC1)C(=O)c1ccc(cc1)C(F)(F)F 0.311 0.526 0.254 0.498 0.752 0.695 0.996 0.959 0.395 0.094 0.259 Compound_408 N#Cc1ccc(cc1)[C@H](N1Cc2c([C@@H]1C(C)C)[nH]c(=NC(=O)Cc1ccc(cc1)S(=O)(=O)C)s2)C 0.413 0.579 0.059 0.284 0.391 0.66 0.312 0.148 0.389 0.477 0.402 Compound_409 OCC(c1nnc(o1)C[C@@H]1CCc2c(N1S(=O)(=O)c1ccc(cc1)F)ccc(c2)C(C(F)(F)F)(C(F)(F)F)O)(O)C 0.688 0.566 0.637 0.601 0.62 0.61 0.841 0.381 0.376 0.016 0.475 Compound_410 O=C(OC(C)(C)C)Nc1ccc2c(c1)N(C[C@@H](O2)CNS(=O)(=O)C)S(=O)(=O)c1cn(nc1C)C(F)F 0.696 0.624 0.32 0.621 0.52 0.618 0.471 0.975 0.405 0.801 0.614 Compound_411 N#Cc1cc(C)c2c(c1)n(C)c(c2)Cc1c(Cl)ccc(c1Cl)C(=O)N1CCC2(CC1)COCC2 0.655 0.633 0.837 0.56 0.849 0.692 0.991 0.905 0.461 0.372 0.889 Compound_412 CCn1ncc(c1C)CNC(=O)C[C@@H]1Oc2ccc(cc2N(C1)S(=O)(=O)c1cccc(c1)C(F)(F)F)NC(=O)OC(C)(C)C 0.655 0.609 0.564 0.573 0.574 0.646 0.716 0.924 0.354 0.956 0.5 Compound_413 N#CCCN1C(=O)CCC1C(=O)N[C@@H]1CC[C@@]2([C@H]1CCc1c2ccc(c1)C(C(F)(F)F)(C(F)(F)F)F)S(=O)(=O)c1ccc(cc1)F 0.654 0.478 0.21 0.389 0.617 0.587 0.4 0.806 0.396 0.772 0.443 Compound_414 CN(CCN1CCN(CC1)c1cc2OC(Cc2cc1NC(=O)c1cnn2c1nccc2)(C)C)C 0.372 0.768 0.001 0.332 0.542 0.701 0.704 0.073 0.443 0.898 0.208 Compound_415 CCn1nc(c(c1)S(=O)(=O)N1CC(Oc2c1cc(cc2)NC(=O)OC(C(F)(F)F)(C)C)C(=O)C(F)(F)F)Cl 0.694 0.586 0.804 0.657 0.526 0.574 0.697 0.92 0.395 0.815 0.589 Compound_416 CC(=O)N=c1cc(n([nH]1)C1CCC1)c1ccc(c(c1)N1CC2C(C1)C2)N(C(=O)c1c(F)cccc1Cl)C 0.689 0.618 0.102 0.526 0.745 0.663 0.826 0.358 0.474 0.007 0.106 Compound_417 NC(=O)CCc1ncn(n1)c1cncc(n1)[C@@]12CC[C@H](C2(C)C)c2c1nnc(c2)c1c(F)cccc1F 0.587 0.667 0.043 0.478 0.657 0.644 0.988 0.85 0.511 0.001 0.154 Compound_418 C[C@H]1CC(CN1C(=O)c1nc(sc1c1c[nH]c(=NC(C2CC2)(C)C)cc1C(F)F)C(=O)NCC(O)(C)C)(F)F 0.668 0.559 0.204 0.41 0.5 0.67 0.143 0.776 0.373 0.24 0.213 Compound_419 CCS(=O)(=O)c1ccc(cc1)C(=O)NC[C@@H]1Oc2ccc(cc2N(C1)S(=O)(=O)c1ccc(cc1)F)NC(=O)OC(C(F)(F)F)(C)C 0.698 0.559 0.861 0.559 0.786 0.654 0.277 0.918 0.395 0.897 0.539 Compound_420 O=C(OC(C)(C)C)Nc1ccc2c(c1)N(C[C@@H](O2)CCNC(=O)C(C)C)S(=O)(=O)c1cccc(c1)C(F)(F)F 0.625 0.649 0.195 0.506 0.444 0.676 0.464 0.921 0.364 0.843 0.506 Compound_421 O=C(OC(C(F)(F)F)(C)C)Nc1ccc2c(c1)N(C[C@@H](O2)CC(C(=O)O)(C)C)S(=O)(=O)c1c(Cl)nn2c1CCCC2 0.675 0.649 0.362 0.565 0.631 0.649 0.958 0.847 0.359 0.944 0.547 Compound_422 Fc1ccc(cc1)S(=O)(=O)[C@@]1(CC[C@@H](CC1)NC(=O)c1ccnnc1)c1ccc(cc1)C(C(F)(F)F)(C(F)(F)F)F 0.449 0.421 0.237 0.452 0.735 0.499 0.369 0.46 0.42 0.048 0.215 Compound_423 CC(Oc1cc2c(cc1NC(=O)c1cnn3c1ncc(c3)C)cn(c2O)C[C@H](C(O)(C)C)F)C 0.695 0.648 0.366 0.616 0.667 0.65 0.961 0.502 0.462 0.798 0.605 Compound_424 O=C1/C(=C\c2c(Cl)cccc2C2CC2)/c2c(N1c1ccc(c(c1)O)C(=O)O)cccc2C 0.538 0.794 0.299 0.373 0.98 0.568 0.995 0.421 0.413 0.969 0.747 Compound_425 CCN(C(=O)c1ccc(nn1)CS(=O)(=O)C)C[C@@]12CC[C@H](C2(C)C)c2c1nnc(c2)c1c(F)cccc1F 0.62 0.699 0.193 0.677 0.548 0.621 0.907 0.668 0.431 0.842 0.265 Compound_426 Fc1cc(C(=O)O)c(cc1c1nn(c2c1c(F)ccc2)Cc1c(F)cccc1Cl)O 0.496 0.555 0.854 0.403 0.972 0.728 0.995 0.805 0.476 0.061 0.761 Compound_427 OC[C@@H](c1ccc(cc1)S(=O)(=O)CC)NC(=O)c1ccc2c(c1)nc(n2Cc1cccc2c1OC(O2)(F)F)C1CC1 0.505 0.453 0.101 0.482 0.733 0.686 0.988 0.268 0.387 0.487 0.363 Compound_428 OC(=O)C1CC(C1)NC(=O)c1nc(c(s1)c1cnc(c2c1cccc2)S(=O)(=O)NC(C)(C)C)CC1CCCCC1 0.628 0.604 0.055 0.407 0.476 0.654 0.893 0.705 0.347 0.987 0.251 Compound_429 N#CCc1cc(ccc1OCC1CCOCC1)S(=O)(=O)N(c1ccc(cc1)CC)CC(C)C 0.527 0.649 0.854 0.566 0.485 0.747 0.683 0.886 0.31 0.662 0.475 Compound_430 OC(=O)c1ccc(cc1O)n1cc(c2c1c(F)ccc2)C(=O)c1c(Cl)cccc1C(F)(F)F 0.476 0.534 0.198 0.39 0.901 0.583 0.997 0.948 0.213 0.253 0.957 Compound_431 Clc1cccc(c1C(=O)c1cn(c2c1cccc2)c1ccc(c(c1)O)C(=O)O)Cl 0.393 0.628 0.743 0.402 0.89 0.653 0.993 0.844 0.173 0.301 0.946 Compound_432 C[C@H]1CC(CN1C(=O)c1nc(sc1c1c[nH]c(=N[C@H](C(F)(F)F)C2CC2)cc1C(F)F)C(=O)N[C@@H](C(O)(C)C)C)(F)F 0.671 0.488 0.536 0.497 0.5 0.64 0.039 0.811 0.319 0.148 0.216 Compound_433 CCn1nc(c(c1)S(=O)(=O)N1C[C@@H](Oc2c1cc(cc2)NC(=O)OC(C(F)(F)F)(C)C)[C@@H](NC(=O)C)C)Cl 0.685 0.566 0.804 0.591 0.5 0.594 0.615 0.866 0.363 0.944 0.576 Compound_434 O=C(C[C@@H]1Oc2ccc(cc2N(C1)S(=O)(=O)c1cccc(c1)C(F)(F)F)NC(=O)OC(C)(C)C)NCC1CC1 0.626 0.579 0.229 0.512 0.548 0.621 0.399 0.915 0.361 0.805 0.5 Compound_435 N#Cc1ccc(cn1)CN1Cc2c([C@@H]1C(C)C)[nH]c(=NC(=O)Cc1ccc(cc1)S(=O)(=O)CC)s2 0.473 0.589 0.098 0.213 0.401 0.661 0.01 0.492 0.367 0.224 0.417 Compound_436 C[C@H]1CC(CN1C(=O)c1nc(sc1c1c[nH]c(=NC2(C)CCC2)cc1C(F)(F)F)C(=O)N[C@H](C(O)(C)C)C)(F)F 0.667 0.428 0.094 0.444 0.532 0.647 0.039 0.834 0.279 0.122 0.202 Compound_437 OCCOc1nn(cc1S(=O)(=O)N1C[C@@H](Oc2c1cc(cc2)NC(=O)OC(C(F)(F)F)(C)C)[C@H](C1CC1)NC(=O)C(O)(C)C)CC 0.714 0.699 0.262 0.567 0.53 0.626 0.423 0.719 0.385 0.877 0.465 Compound_438 CCn1nc(c(c1c1c(F)cc(cc1F)CC(C(F)(F)F)C)Cl)C(=O)NC[C@@H]1CC[C@H](CC1)S(=O)(=O)C 0.595 0.699 0.451 0.527 0.718 0.742 0.941 0.981 0.429 0.838 0.265 Compound_439 CCn1nc(c(c1c1ccc(cc1OC(F)F)CC(CC(F)(F)F)(C)C)Cl)C(=O)NC[C@]1(O)CC[C@H](CC1)S(=O)(=O)C 0.713 0.729 0.154 0.509 0.741 0.708 0.602 0.954 0.408 0.991 0.406 Compound_440 OC(=O)CC1CCN(CC1)C(=O)c1ncc(c(c1Cl)Cn1cc(c2c1c(C)cc(c2)C(F)(F)F)C)Cl 0.628 0.722 0.681 0.45 0.389 0.678 0.992 0.74 0.378 0.305 0.228 Compound_441 OC[C@H](c1ccc(cn1)S(=O)(=O)CC)NC(=O)c1cnc2c(c1)CN(C2C(C)C)C[C@@H]1CC[C@H](CC1)C(F)(F)F 0.574 0.626 0.015 0.189 0.28 0.587 0.817 0.262 0.355 0.876 0.384 Compound_442 CCn1nc(c(c1c1ccc(cc1OC(F)F)C[C@H](C(F)(F)F)C)C)C(=O)NC[C@]1(O)CC[C@H](C[C@H]1O)S(=O)(=O)C 0.719 0.709 0.152 0.574 0.673 0.656 0.623 0.956 0.399 0.905 0.409 Compound_443 C[C@@H]([C@@H](NC(=O)c1nc(c(s1)c1c[nH]c(=NC(C)(C)C)cc1C(F)(F)F)C(=O)N1CCC[C@@H]1C)C)O 0.61 0.458 0.04 0.427 0.261 0.609 0.079 0.865 0.237 0.069 0.221 Compound_444 N#C[C@@]1(CC[C@@H](CC1)S(=O)(=O)C)CNC(=O)c1nn(c(c1Cl)c1ccc(cc1)CC(C(F)(F)F)(C)C)CC 0.689 0.709 0.107 0.469 0.761 0.76 0.928 0.973 0.451 0.849 0.459 Compound_445 OC(=O)CC[C@@H]1Oc2c(F)cc(cc2N(C1)S(=O)(=O)c1ccnc(c1)C(F)(F)F)NC(=O)OC(C(F)(F)F)(C)C 0.689 0.629 0.403 0.601 0.491 0.595 0.821 0.949 0.363 0.164 0.522 Compound_446 OC(=O)c1ccc(cc1)N1c2cccc(c2/C(=C\c2c(Cl)cccc2C(F)(F)F)/C1=O)F 0.538 0.651 0.249 0.383 0.979 0.871 0.997 0.991 0.383 0.932 0.823 Compound_447 Fc1cc(N2CC3[C@H](C2)[C@H]3n2cnnc2)c(cc1CN1[C@H](CC[C@@H](S1(=O)=O)c1ccccc1)C(F)(F)F)F 0.633 0.555 0.652 0.642 0.667 0.797 0.933 0.869 0.392 0.167 0.343 Compound_448 Fc1ccc(cc1)S(=O)(=O)[C@@]1(CC[C@@H](CC1)N1CCS(=O)(=O)CC1)c1ccc(cc1)C(C(F)(F)F)(C(F)(F)F)F 0.362 0.46 0.083 0.192 0.731 0.592 0.689 0.611 0.361 0.096 0.26 Compound_449 N#Cc1cccc(c1)N(S(=O)(=O)c1ccc(cc1)OC1CCN(CC1)S(=O)(=O)C)CC(C)C 0.446 0.646 0.786 0.575 0.557 0.593 0.318 0.55 0.38 0.587 0.379 Compound_450 COc1nc2ccc(cc2c(c1C1CCCC1)Cl)[C@@](c1cnnn1C)(c1ccc(nc1C)C)O 0.598 0.755 0.206 0.572 0.682 0.649 0.963 0.218 0.524 0.991 0.447 Compound_451 CC(=O)NC1Cc2ncc(cc2N(C1)S(=O)(=O)c1cccc(c1)C1CC1)NC(=O)c1c(Cl)cccc1Cl 0.631 0.541 0.272 0.503 0.52 0.748 0.811 0.82 0.403 0.228 0.291 Compound_452 COC(=O)C1CCC(=CC1)c1nn(c2c1CCC(C2)C(=O)O)C(=O)c1c(Cl)cccc1C1CC1 0.764 0.73 0.304 0.371 0.781 0.762 0.89 0.659 0.411 0.786 0.386 Compound_453 CCS(=O)(=O)c1ccc(cc1)CC(=O)N=c1sc2c([nH]1)C(N(C2)Cc1ccc(cc1)F)Cc1cccc(c1)Br 0.482 0.611 0.172 0.293 0.676 0.646 0.288 0.266 0.379 0.685 0.409 Compound_454 CCS(=O)(=O)c1ccc(cc1)CNC(=O)c1ccc2c(c1)nc(n2Cc1cccc2c1OC(O2)(F)F)C(C)C 0.478 0.535 0.346 0.474 0.726 0.696 0.927 0.844 0.379 0.646 0.347 Compound_455 CC[C@@H](C(F)(F)F)N=c1[nH]cc(c(c1)C(F)F)c1sc(nc1C(=O)N1CCC[C@@H]1C)C(=O)NC1CN(C1)S(=O)(=O)C 0.614 0.448 0.328 0.451 0.402 0.499 0.024 0.742 0.362 0.669 0.45 Compound_456 COC(=O)COc1nn(cc1S(=O)(=O)N1C[C@@H](Oc2c1cc(cc2)NC(=O)OC(C(F)(F)F)(C)C)[C@H](C1CC1)NC(=O)C)CC 0.73 0.716 0.15 0.634 0.531 0.626 0.655 0.948 0.405 0.977 0.487 Compound_457 CCS(=O)(=O)c1ccc(nc1)[C@H](NC(=O)c1cnc2c(c1)CN(C2C(C)C)C[C@@H]1CC[C@@H](CC1)C(F)(F)F)COC(=O)N 0.656 0.626 0.036 0.181 0.315 0.602 0.748 0.504 0.368 0.961 0.45 Compound_458 CC(CCC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2[C@@H](O)C=C2[C@]1(C)CC[C@@H](C2)O)C)C 0.986 0.99 0.184 0.746 0.961 0.957 0.009 0.827 0.071 0.998 0.472 Compound_459 O[C@@H]1CCC[C@H]1NC(=O)c1nc(c(s1)c1c[nH]c(=N[C@H](C(F)(F)F)C)cc1C(F)F)C(=O)N1CCC[C@@H]1C 0.623 0.49 0.088 0.487 0.444 0.588 0.09 0.867 0.151 0.001 0.165 Compound_460 OC[C@@H](Cn1ccc(n1)c1cccc(n1)[C@@]12CC[C@H](C2(C)C)c2c1nnc(c2)c1c(F)cccc1F)O 0.592 0.694 0.834 0.661 0.664 0.624 0.93 0.266 0.405 0.004 0.443 Compound_461 Fc1cc(CN2CCN([C@H](C2)C)C(=O)C2CCCC2)c(c(c1)NC(=O)c1ccc(nc1)C)C 0.314 0.634 0.753 0.351 0.06 0.484 0.428 0.679 0.328 0.724 0.04 Compound_462 Fc1ccc(cc1)S(=O)(=O)[C@]1(CCN(C1)C(=O)C12CCC(CC1)(CC2)C(=O)O)c1ccc(cc1)C(C(F)(F)F)(C(F)(F)F)F 0.474 0.578 0.35 0.475 0.762 0.525 0.713 0.761 0.387 0.266 0.292 Compound_463 O[C@@H]1CCC[C@H]1NC(=O)c1nc(c(s1)c1c[nH]c(=NC(C)(C)C)cc1C(F)(F)F)C(=O)N1CCC[C@@H]1C 0.616 0.559 0.018 0.449 0.314 0.598 0.09 0.867 0.212 0.032 0.24 Compound_464 CN1CC(C1)NC(=O)c1nc(c(s1)c1c[nH]c(=NC(C)(C)C)cc1C(F)(F)F)C(=O)N1CCC[C@@H]1C 0.59 0.529 0.028 0.332 0.272 0.468 0.026 0.618 0.349 0.061 0.224 Compound_465 OC(=O)C1CCC(=CC1)c1nn(c2c1CCC(C2)C(=O)N1CC2(C1)CCCO2)C(=O)c1c(ccc(c1Cl)F)C1CC1 0.801 0.682 0.177 0.396 0.765 0.679 0.813 0.926 0.397 0.643 0.407 Compound_466 COc1cc(CCCC(F)(F)F)ccc1c1n(CC)nc(c1C)C(=O)NC[C@@H]1CC[C@H](CC1)S(=O)(=O)C 0.751 0.639 0.554 0.571 0.567 0.712 0.689 0.966 0.456 0.917 0.304 Compound_467 CC(=O)C(NCc1coc(n1)c1cncc(n1)[C@@]12CC[C@H](C2(C)C)c2c1nnc(c2)c1c(F)cccc1F)O 0.666 0.704 0.369 0.538 0.681 0.652 0.991 0.877 0.444 0.03 0.245 Compound_468 CCn1nc(c(c1c1c[nH]c(=NC(CC(F)(F)F)(C)C)cc1OC(F)F)Cl)C(=O)NC[C@@]1(O)CC[C@@H](C[C@@H]1O)S(=O)(=O)C 0.685 0.589 0.02 0.482 0.647 0.674 0.686 0.811 0.405 0.87 0.373 Compound_469 CCN(C(=O)C1CN(C1)C(=O)C)C[C@@]12CC[C@H](C2(C)C)c2c1nnc(c2)c1c(F)cccc1F 0.454 0.694 0.318 0.654 0.514 0.576 0.064 0.577 0.462 0.939 0.283 Compound_470 C[C@H]1CCCN1C(=O)c1nc(sc1c1c[nH]c(=NC(C)(C)C)cc1C(F)(F)F)C(=O)NCC(C(F)(F)F)(C(F)(F)F)O 0.61 0.518 0.029 0.385 0.424 0.637 0.027 0.809 0.253 0.086 0.233 Compound_471 COC1CC(C1)C(=O)NC[C@@H]1Oc2ccc(cc2N(C1)S(=O)(=O)c1ccc(cc1)F)NC(=O)OC(C(F)(F)F)(C)C 0.688 0.609 0.599 0.596 0.756 0.649 0.072 0.842 0.377 0.951 0.537 Compound_472 CCN(C(=O)C1CN(C1)S(=O)(=O)C)C[C@@]12CC[C@H](C2(C)C)c2c1nnc(c2)c1c(F)cccc1F 0.45 0.709 0.27 0.684 0.527 0.598 0.107 0.653 0.404 0.937 0.511 Compound_473 O=C(C[C@@H]1CCc2c(N1S(=O)(=O)c1ccc(cc1)F)ccc(c2)C(C(F)(F)F)(C(F)(F)F)O)NCC(O)(C)C 0.655 0.569 0.083 0.343 0.555 0.601 0.391 0.267 0.344 0.066 0.38 Compound_474 OCC1CCc2c(C1)n(nc2C1=CCC(CC1)C(=O)O)C(=O)c1c(Cl)cccc1C1(CC1)C(F)(F)F 0.763 0.702 0.126 0.48 0.861 0.778 0.851 0.474 0.308 0.348 0.586 Compound_475 CC(=O)NC[C@@H]1Oc2ccc(cc2N(C1)S(=O)(=O)c1ccc(cc1)F)NC(=O)OC(C(F)(F)F)Cc1ccccc1 0.675 0.408 0.886 0.58 0.76 0.631 0.173 0.849 0.358 0.408 0.492 Compound_476 CCN(C(=O)c1ccc(cc1)c1ncccn1)C[C@@]12CC[C@H](C2(C)C)c2c1nnc(c2)c1c(F)cccc1F 0.478 0.744 0.346 0.733 0.622 0.632 0.944 0.658 0.436 0.947 0.126 Compound_477 CCn1nc(c(c1c1ccc(cc1OC(F)F)CC(C(F)(F)F)C(F)(F)F)Cl)C(=O)NC[C@@H]1CC[C@H](CC1)S(=O)(=O)C 0.681 0.629 0.425 0.53 0.709 0.725 0.704 0.955 0.418 0.695 0.306 Compound_478 C[C@H]1CCCN1C(=O)c1nc(sc1c1c[nH]c(=NC2(CCC2)C(F)(F)F)cc1C(F)F)C(=O)NCC(O)(C)C 0.641 0.488 0.147 0.398 0.546 0.647 0.03 0.745 0.294 0.086 0.256 Compound_479 CC[C@@H](C(F)(F)F)N=c1[nH]cc(c(c1)C(F)(F)F)c1sc(nc1C(=O)N1CC(C[C@@H]1C)(F)F)C(=O)NCC(O)(C)C 0.653 0.488 0.151 0.441 0.442 0.618 0.027 0.215 0.224 0.143 0.232 Compound_480 N#Cc1c(nn(c1c1ccc(cc1OC)CC(C(F)(F)F)(C)C)CC)C(=O)NC[C@]1(O)CC[C@H](CC1)S(=O)(=O)C 0.734 0.699 0.226 0.597 0.716 0.665 0.615 0.981 0.444 0.975 0.507 Compound_481 CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1ccc(cc1)CCN1CCCc2c1cc(C)cc2 0.388 0.558 0.178 0.471 0.709 0.561 0.945 0.342 0.386 0.115 0.097 Compound_482 N#Cc1cc(C)c2c(c1)n(C)c(c2)Cc1c(Cl)ncc(c1Cl)C(=O)N1CCOCC1 0.56 0.649 0.637 0.54 0.297 0.615 0.998 0.772 0.417 0.365 0.773 Compound_483 O=C(OC(C(F)(F)F)(C)C)Nc1ccc2c(c1)N(C[C@@H](O2)CNC(=O)C(O)(C)C)S(=O)(=O)c1ccc(cc1)F 0.658 0.649 0.921 0.553 0.575 0.604 0.084 0.635 0.333 0.749 0.513 Compound_484 N#CCCN1C(=O)CCC1C(=O)N1CC[C@@]2([C@H]1CCc1c2cnc(c1)C(C(F)(F)F)(C(F)(F)F)F)S(=O)(=O)c1ccc(cc1)F 0.692 0.526 0.561 0.474 0.728 0.585 0.234 0.803 0.397 0.753 0.5 Compound_485 Fc1ccc(cc1)S(=O)(=O)C1(CC(C1)C(=O)N1CCOCC1)c1ccc(cc1)C(C(F)(F)F)(C(F)(F)F)OCc1c(F)cccc1F 0.301 0.561 0.468 0.625 0.824 0.645 0.901 0.799 0.404 0.832 0.426 Compound_486 OC(=O)CC1CCN(CC1)C(=O)c1ccc(c(c1Cl)Cn1ccc2c1ccc(c2)C(C)C)Cl 0.588 0.557 0.545 0.383 0.596 0.724 0.994 0.414 0.417 0.252 0.115 Compound_487 COC(=O)C1CCOCC1c1cc(F)c(cc1F)CN1[C@@H](C)CC[C@@H](S1(=O)=O)c1ccccc1 0.652 0.739 0.362 0.571 0.183 0.515 0.861 0.848 0.401 0.34 0.52 Compound_488 COc1nc2ccc(cc2c(c1CC(C)C)Cl)[C@](c1cnnn1C)(c1ccc(nc1C)C)O 0.559 0.737 0.082 0.565 0.647 0.647 0.963 0.757 0.525 0.956 0.495 Compound_489 N#C[C@@]1(CC[C@@H](CC1)S(=O)(=O)C)CNC(=O)c1nn(c(c1Cl)c1ccc(cc1OC)N[C@@H](C(F)(F)F)C)CC 0.695 0.669 0.175 0.45 0.764 0.695 0.805 0.917 0.439 0.977 0.53 Compound_490 C[C@@H](COc1nn2c(c1S(=O)(=O)N1C[C@H](CNC(=O)C)Oc3c1cc(cc3)NC(=O)OC(C(F)(F)F)(C)C)CCCC2)O 0.695 0.698 0.029 0.454 0.593 0.654 0.514 0.604 0.377 0.377 0.406 Compound_491 CC[C@@H](C(F)(F)F)N=c1[nH]cc(c(c1)C(F)F)c1sc(nc1C(=O)N1CCC[C@@H]1C)C(=O)N[C@@H]1C[C@H](C1)O 0.62 0.448 0.21 0.451 0.507 0.646 0.079 0.438 0.247 0.001 0.24 Compound_492 OC(=O)C(Cc1nc(c(s1)c1ccc(c(c1Cl)Cl)S(=O)(=O)N[C@H](C(F)(F)F)C)CC1CCC1)(C)C 0.49 0.569 0.204 0.493 0.704 0.653 0.962 0.934 0.336 0.961 0.451 Compound_493 O=C(c1nc(c(s1)c1cnc(c2c1cccc2)S(=O)(=O)NC(C)(C)C)CC1CCCCC1)NCC(O)(C)C 0.605 0.634 0.293 0.4 0.336 0.701 0.819 0.92 0.246 0.895 0.206 Compound_494 O=C(OC(C)(C)C)Nc1ccc2c(c1)N(C[C@H](O2)CC(=O)N1CCOC1)S(=O)(=O)c1cccc(c1)C(F)(F)F 0.624 0.669 0.18 0.576 0.464 0.615 0.91 0.924 0.33 0.992 0.599 Compound_495 FCCC(NS(=O)(=O)c1ccc(c2c1cccc2)c1sc(nc1CC1CCCCC1)C(=O)NC1CC(C1)C(=O)O)(C)C 0.567 0.654 0.031 0.456 0.627 0.655 0.948 0.899 0.39 0.526 0.316 Compound_496 O=C(OC(C)(C)C)Nc1ccc2c(c1)N(C[C@@H](O2)CS(=O)(=O)C(C)(C)C)S(=O)(=O)c1cccc(c1)C(F)(F)F 0.563 0.649 0.347 0.652 0.593 0.68 0.881 0.946 0.387 0.911 0.553 Compound_497 CCn1nc(c(c1)S(=O)(=O)N1C[C@@H](Oc2c1cc(cc2)NC(=O)OC(C(F)(F)F)(C)C)CC(C(=O)O)(CO)C)Cl 0.688 0.669 0.443 0.617 0.541 0.58 0.767 0.626 0.332 0.962 0.573 Compound_498 CC(=O)NC(C[C@@H]1Oc2ccc(cc2N(C1)S(=O)(=O)c1ccc(cc1)F)NC(=O)OC(C(F)(F)F)(C)C)(C)C 0.668 0.649 0.796 0.655 0.603 0.658 0.899 0.865 0.367 0.95 0.532 Compound_499 N#Cc1ccccc1COC(C(F)(F)F)(C(F)(F)F)c1ccc(cc1)C1(CCCC1)S(=O)(=O)c1ccc(cc1)F 0.769 0.633 0.38 0.64 0.96 0.703 0.854 0.862 0.402 0.85 0.659 Compound_500 Fc1ccc(cc1)S(=O)(=O)[C@@]12CCN([C@@H]1CCc1c2ccc(c1)C(C(F)(F)F)(C(F)(F)F)F)C(=O)C1CCN(CC1)C(=O)C 0.591 0.656 0.393 0.52 0.537 0.391 0.305 0.895 0.403 0.368 0.295 Compound_501 O=C(OC(C)(C)C)Nc1ccc2c(c1)N(C[C@@H](O2)CNS(=O)(=O)C1CC1)S(=O)(=O)c1cccc(c1)S(=O)(=O)C 0.611 0.629 0.261 0.566 0.506 0.664 0.069 0.932 0.4 0.93 0.453 Compound_502 CCCOc1ncccc1c1csc(c1)NC(=O)Cc1ccc(cc1)S(=O)(=O)CC 0.634 0.578 0.409 0.558 0.241 0.728 0.887 0.765 0.366 0.027 0.126 Compound_503 C[C@H]1CC(CCC1C(=O)N1CC[C@@]2([C@H]1CCc1c2ccc(c1)C(C(F)(F)F)(C(F)(F)F)F)S(=O)(=O)c1ccccc1)C(=O)O 0.575 0.699 0.109 0.398 0.67 0.506 0.802 0.875 0.399 0.537 0.29 Compound_504 CNS(=O)(=O)NC[C@@H]1Oc2ccc(cc2N(C1)S(=O)(=O)c1ccc(cc1)F)NC(=O)OC(C(F)(F)F)(C)C 0.671 0.659 0.866 0.615 0.722 0.654 0.303 0.911 0.342 0.85 0.53 Compound_505 N#Cc1cc(ccc1c1n(CC)nc(c1Cl)C(=O)NC[C@]1(O)CC[C@H](CC1)S(=O)(=O)C)CC(C(F)(F)F)(C)C 0.732 0.699 0.049 0.54 0.757 0.692 0.799 0.981 0.445 0.987 0.507 Compound_506 CCOc1nn(cc1S(=O)(=O)N1C[C@H](CNC(=O)C(C(F)(F)F)(N)C)Oc2c1cc(cc2)NC(=O)OC(C(F)(F)F)(C)C)C(F)F 0.733 0.629 0.166 0.486 0.548 0.616 0.336 0.66 0.316 0.693 0.508 Compound_507 CC(=O)N1CCN(C[C@H]1C)c1ccc2c(c1)CCN(C2)S(=O)(=O)N(Cc1c(F)cccc1Cl)C 0.361 0.718 0.268 0.511 0.635 0.775 0.313 0.952 0.404 0.86 0.351 Compound_508 CCS(=O)(=O)c1ccc(cc1)CNC(=O)c1ccc2c(c1)nc(n2Cc1cccc(c1)OC(F)(F)F)C1CC1 0.414 0.554 0.276 0.532 0.761 0.729 0.966 0.828 0.388 0.229 0.299 Compound_509 O=C(OC(C)(C)C)Nc1ccc2c(c1)N(C[C@@H](O2)Cn1nncc1)S(=O)(=O)c1cn(nc1C)C(F)F 0.661 0.596 0.336 0.649 0.561 0.617 0.809 0.977 0.38 0.805 0.578 Compound_510 CNC(=O)N=c1cc(n([nH]1)C(C)C)c1ccc(c(c1)N1CC2C(C1)C2)N(C(=O)c1c(F)cccc1Cl)C 0.72 0.654 0.07 0.492 0.619 0.786 0.978 0.479 0.511 0.283 0.238 Compound_511 OCCOc1nn(cc1S(=O)(=O)N1C[C@H](CNC(=O)C(C(F)(F)F)(N)C)Oc2c1cc(cc2)NC(=O)OC(C(F)(F)F)(C)C)C(F)F 0.71 0.699 0.089 0.452 0.554 0.616 0.315 0.487 0.329 0.418 0.456 Compound_512 O=C(OC(C(F)(F)F)(C)C)Nc1ccc2c(c1)N(C[C@H](O2)CC1(CC1)C(=O)O)S(=O)(=O)c1ccc(c(c1)C)F 0.72 0.619 0.859 0.636 0.637 0.619 0.914 0.738 0.375 0.987 0.578 Compound_513 CC(CN(S(=O)(=O)c1ccc(cc1)c1ccc(cc1)C(=O)N)c1ccccc1Cl)C 0.469 0.485 0.764 0.456 0.747 0.732 0.988 0.075 0.409 0.313 0.249 Compound_514 O=C(C1N(Cc2c1ccc(c2)S(=O)(=O)CC1CC1)C(=O)C1CCCO1)Nc1ccc(cc1)C(C(F)(F)F)(C(F)(F)F)O 0.629 0.586 0.255 0.638 0.74 0.647 0.898 0.608 0.383 0.794 0.484 Compound_515 OC[C@@H](CNC(=O)C1CC[C@@]2([C@H]1CCc1c2ccc(c1)C(C(F)(F)F)(C(F)(F)F)F)S(=O)(=O)c1ccc(cc1)F)O 0.531 0.579 0.082 0.224 0.619 0.656 0.578 0.202 0.399 0.297 0.367 Compound_516 OC(=O)c1ccc(c(c1)F)c1nn(c2c1CCOC2)C(=O)c1c(Cl)cccc1C1(CC1)C(F)(F)F 0.59 0.68 0.253 0.565 0.902 0.72 0.966 0.748 0.413 0.161 0.614