Index SMILES AR AR-LBD AhR Aromatase ER ER-LBD PPAR-gamma ARE ATAD5 HSE p53 Compound_1 COc1ccc2c(c1)cc[nH]2 0.574 0.595 0.985 0.609 0.346 0.679 0.005 0.171 0.912 0.98 0.953 Compound_2 CC(=O)OCc1ccccn1 0.124 0.327 0.245 0.457 0.058 0.073 0.038 0.959 0.864 0.031 0.376 Compound_3 c1ccc(cc1)c1cccnc1 0.815 0.683 0.864 0.787 0.043 0.435 0.004 0.236 0.925 0.765 0.729 Compound_4 C1CCc2c(C1)nccc2 0.075 0.348 0.32 0.477 0.073 0.594 0.004 0.175 0.764 0.674 0.68 Compound_5 CCn1ccc2c1cccc2 0.73 0.465 0.93 0.592 0.117 0.435 0.68 0.706 0.886 0.925 0.614 Compound_6 COc1ccc2c(c1)cc([nH]2)C 0.44 0.625 0.985 0.581 0.625 0.716 0.781 0.21 0.911 0.962 0.957 Compound_7 Cc1ncc2c(c1)cccc2 0.654 0.563 0.985 0.525 0.047 0.422 0.002 0.98 0.913 0.926 0.905 Compound_8 c1ccc2c(c1)cncc2 0.83 0.634 0.903 0.571 0.026 0.277 0.007 0.331 0.971 0.984 0.895 Compound_9 Cc1cc(C)c2c(n1)cccc2 0.678 0.588 0.943 0.531 0.475 0.303 0.618 0.844 0.633 0.788 0.901 Compound_10 N#Cc1ccc2c(n1)cccc2 0.963 0.683 0.969 0.58 0.777 0.346 0.668 0.953 0.965 0.973 0.994 Compound_11 N#Cc1ccc2c(c1)[nH]cc2 0.696 0.618 0.867 0.569 0.429 0.611 0.023 0.938 0.927 0.979 0.973 Compound_12 CCC#Cc1ccc(nc1)C 0.195 0.297 0.47 0.557 0.043 0.76 0.002 0.709 0.354 0.461 0.375 Compound_13 COC(=O)Cc1ccccn1 0.102 0.321 0.512 0.505 0.034 0.055 0.019 0.973 0.648 0.002 0.208 Compound_14 Cc1nccc2c1cccc2 0.621 0.563 0.905 0.548 0.047 0.422 0.002 0.978 0.913 0.926 0.905 Compound_15 Clc1ccc(cn1)C 0.621 0.187 0.575 0.583 0.023 0.089 0.085 0.685 0.429 0.73 0.045 Compound_16 CCC1=C(C)C(=O)NC1=O 0.257 0.472 0.155 0.321 0.012 0.023 0.286 0.184 0.667 0.733 0.761 Compound_17 CCc1c(C)nnc2c1cccc2 0.698 0.701 0.89 0.616 0.313 0.251 0.874 0.86 0.906 0.57 0.92 Compound_18 Nc1ccc2c(c1)ccnc2 0.705 0.896 0.929 0.687 0.052 0.259 0.071 0.729 0.963 0.981 0.892 Compound_19 Cc1nc2ccccc2nc1C 0.394 0.623 0.773 0.491 0.414 0.174 0.883 0.936 0.654 0.671 0.973 Compound_20 Cc1ccc(c2c1nccc2)C 0.522 0.588 0.904 0.495 0.065 0.04 0.14 0.865 0.951 0.788 0.901 Compound_21 c1ccc2c(c1)ocn2 0.106 0.559 0.91 0.577 0.289 0.537 0.052 0.128 0.971 0.971 0.907 Compound_22 c1ccc2n(c1)ccc2 0.818 0.51 0.521 0.415 0.125 0.645 0.159 0.168 0.978 0.977 0.682 Compound_23 c1ccc2n(c1)ccn2 0.212 0.593 0.553 0.451 0.135 0.516 0.044 0.181 0.927 0.869 0.388 Compound_24 N#Cc1cccc2c1ccnc2 0.841 0.683 0.922 0.617 0.15 0.135 0.004 0.315 0.894 0.984 0.985 Compound_25 Cc1c(C)[nH]oc1=O 0.182 0.427 0.485 0.393 0.035 0.017 0.163 0.008 0.824 0.825 0.876 Compound_26 Cc1cccc2c1n[nH]n2 0.378 0.56 0.617 0.459 0.206 0.096 0.988 0.469 0.904 0.299 0.642 Compound_27 CCOc1cc2c([nH]1)cccc2 0.85 0.491 0.977 0.537 0.622 0.714 0.597 0.227 0.463 0.955 0.844 Compound_28 CCc1nc2ccccc2nc1C 0.222 0.619 0.76 0.461 0.414 0.174 0.883 0.893 0.596 0.175 0.961 Compound_29 O=C1c2ccccc2c2c1cccn2 0.634 0.818 0.93 0.749 0.314 0.405 0.002 0.901 0.669 0.759 0.974 Compound_30 Cn1cccc1c1cccnc1 0.686 0.563 0.755 0.717 0.112 0.668 0.004 0.888 0.867 0.107 0.251 Compound_31 OCn1cncc1 0.32 0.193 0.263 0.545 0.339 0.103 0.011 0.06 0.511 0.013 0.424 Compound_32 Cc1ccc2c(c1)cncc2 0.685 0.583 0.932 0.603 0.026 0.225 0.003 0.381 0.948 0.911 0.836 Compound_33 Cc1cnc2c(c1)C(=O)CCC2 0.17 0.58 0.673 0.429 0.018 0.154 0.003 0.296 0.602 0.026 0.728 Compound_34 COc1ccnc2c1cccc2 0.652 0.811 0.984 0.575 0.164 0.379 0.085 0.201 0.916 0.95 0.964 Compound_35 Cc1cccc2c1nccc2 0.6 0.563 0.911 0.529 0.095 0.116 0.04 0.927 0.564 0.926 0.905 Compound_36 Cc1cnc2c(c1)cccc2 0.661 0.563 0.966 0.605 0.113 0.151 0.028 0.873 0.905 0.926 0.905 Compound_37 Cc1ccc2c(c1)nccc2 0.653 0.563 0.927 0.55 0.093 0.134 0.072 0.786 0.958 0.926 0.905 Compound_38 Clc1nc2c(o1)cccc2 0.209 0.54 0.989 0.612 0.451 0.585 0.364 0.801 0.976 0.959 0.849 Compound_39 n1ccc(cc1)CCn1cccc1 0.27 0.511 0.375 0.407 0.018 0.586 0.011 0.019 0.872 0.073 0.185 Compound_40 Cc1cccc2c1cccn2 0.693 0.563 0.904 0.535 0.065 0.048 0.131 0.75 0.925 0.926 0.905 Compound_41 Cc1ccn2c1cccc2 0.387 0.511 0.231 0.512 0.079 0.66 0.007 0.384 0.945 0.884 0.563 Compound_42 Cc1cc2n(c1)c(C)ccc2 0.361 0.51 0.322 0.451 0.081 0.646 0.007 0.501 0.913 0.695 0.55 Compound_43 Cc1ccc2c(c1)ccc(n2)C 0.855 0.588 0.964 0.576 0.574 0.543 0.844 0.917 0.988 0.788 0.901 Compound_44 Cc1ccc2c(n1)cccc2 0.863 0.563 0.955 0.577 0.491 0.472 0.643 0.93 0.967 0.926 0.905 Compound_45 c1ccc2c(c1)n[nH]n2 0.532 0.552 0.818 0.476 0.3 0.117 0.979 0.147 0.971 0.498 0.681 Compound_46 Cc1ccncc1 0.372 0.183 0.686 0.551 0.006 0.062 0.006 0.036 0.913 0.709 0.106 Compound_47 O=C(c1cccnc1)OCCc1ccccc1 0.1 0.728 0.711 0.559 0.058 0.122 0.03 0.005 0.319 0.027 0.673 Compound_48 Cc1cncc(n1)C 0.391 0.325 0.602 0.465 0.118 0.04 0.008 0.282 0.933 0.239 0.5 Compound_49 Cc1ncc(nc1)C 0.56 0.325 0.602 0.426 0.118 0.04 0.008 0.745 0.933 0.239 0.5 Compound_50 CCc1cnccn1 0.205 0.4 0.491 0.394 0.133 0.056 0.013 0.304 0.887 0.048 0.656 Compound_51 Cc1ncccc1C 0.227 0.255 0.559 0.484 0.016 0.239 0.001 0.3 0.835 0.337 0.274 Compound_52 Cc1ccc(cn1)C 0.366 0.212 0.751 0.536 0.016 0.224 0.001 0.632 0.396 0.405 0.184 Compound_53 CCc1cccnc1 0.165 0.238 0.475 0.535 0.008 0.139 0.003 0.016 0.698 0.554 0.194 Compound_54 Cc1ccc(c(n1)C)C 0.483 0.261 0.75 0.571 0.156 0.586 0.542 0.916 0.694 0.684 0.258 Compound_55 CCc1cnc(cn1)C 0.352 0.437 0.513 0.4 0.097 0.046 0.013 0.67 0.887 0.044 0.612 Compound_56 N#Cc1cccnc1 0.578 0.254 0.575 0.563 0.078 0.082 0.013 0.013 0.809 0.917 0.689 Compound_57 Ic1cccnc1 0.655 0.199 0.653 0.557 0.055 0.225 0.224 0.306 0.755 0.89 0.138 Compound_58 c1ccc2c(c1)nccn2 0.425 0.724 0.899 0.529 0.126 0.098 0.256 0.148 0.715 0.956 0.989 Compound_59 c1ccc2c(c1)snc2 0.784 0.659 0.976 0.601 0.124 0.607 0.941 0.456 0.971 0.991 0.459 Compound_60 c1ccc2c(c1)[nH]cc2 0.694 0.557 0.971 0.517 0.231 0.666 0.018 0.814 0.971 0.979 0.867 Compound_61 Cc1cccc2c1nccn2 0.111 0.699 0.761 0.55 0.068 0.093 0.11 0.43 0.62 0.806 0.979 Compound_62 Cc1ncnc2c1cccc2 0.535 0.662 0.987 0.568 0.352 0.642 0.042 0.925 0.661 0.763 0.808 Compound_63 N#Cc1ccc(cc1)OC(=O)c1cccnc1 0.594 0.762 0.681 0.598 0.408 0.293 0.008 0.065 0.232 0.259 0.915 Compound_64 Cc1c[nH]c2c1cccc2 0.486 0.549 0.982 0.53 0.228 0.644 0.019 0.885 0.931 0.939 0.809 Compound_65 Cc1ccc2c(c1)cccn2 0.725 0.563 0.927 0.555 0.156 0.149 0.124 0.768 0.958 0.926 0.905 Compound_66 CS(=O)c1ccccn1 0.308 0.294 0.443 0.492 0.078 0.332 0.29 0.865 0.81 0.97 0.231 Compound_67 Cc1[nH]c2c(c1C)cccn2 0.139 0.606 0.761 0.506 0.173 0.824 0.001 0.447 0.926 0.158 0.428 Compound_68 CSc1nc2c(s1)cccc2 0.959 0.646 0.984 0.577 0.533 0.677 0.998 0.871 0.877 0.967 0.587 Compound_69 C=CCn1c(=O)n(CC=C)c(=O)n(c1=O)CC=C 0.255 0.279 0.348 0.582 0.161 0.202 0.036 0.99 0.281 0.209 0.625 Compound_70 Nc1ccc2n(c1)ccn2 0.124 0.7 0.809 0.542 0.146 0.553 0.016 0.574 0.563 0.823 0.222 Compound_71 C1CCc2c(C1)nc1c(c2)CCCC1 0.381 0.357 0.683 0.475 0.492 0.846 0.222 0.573 0.384 0.77 0.643 Compound_72 CCNc1nc(NC(C)C)nc(n1)Cl 0.343 0.21 0.657 0.394 0.042 0.083 0.0 0.087 0.511 0.253 0.06 Compound_73 O=Cc1c[nH]c2c1cccc2 0.46 0.571 0.929 0.519 0.231 0.619 0.027 0.868 0.917 0.743 0.951 Compound_74 Cn1cnc2c1c(=O)[nH]c(=O)n2C 0.063 0.187 0.038 0.183 0.093 0.119 0.0 0.019 0.672 0.003 0.069 Compound_75 N#Cc1ccc(cc1)Cn1cncc1 0.828 0.444 0.164 0.594 0.339 0.529 0.042 0.112 0.85 0.57 0.747 Compound_76 Brc1ccnc2c1ccn2C(=O)C 0.445 0.656 0.859 0.587 0.293 0.645 0.003 0.851 0.956 0.456 0.192 Compound_77 Cc1ccc2c(c1)n[nH]n2 0.455 0.56 0.664 0.443 0.255 0.129 0.993 0.353 0.948 0.299 0.642 Compound_78 Clc1ccc(cc1)OC(C(=O)C(C)(C)C)n1cncc1 0.415 0.515 0.868 0.841 0.193 0.588 0.013 0.042 0.058 0.688 0.428 Compound_79 Cc1ncccn1 0.663 0.213 0.608 0.464 0.109 0.093 0.006 0.46 0.657 0.356 0.061 Compound_80 C#Cc1ccccn1 0.446 0.211 0.187 0.498 0.054 0.458 0.064 0.861 0.878 0.919 0.437 Compound_81 Cn1c(C=C)ccc1C 0.654 0.358 0.269 0.509 0.229 0.67 0.808 0.803 0.904 0.613 0.535 Compound_82 Cc1cc2c(o1)cncc2 0.17 0.499 0.98 0.454 0.033 0.225 0.002 0.292 0.856 0.751 0.756 Compound_83 OCc1nccn1C 0.217 0.3 0.072 0.4 0.315 0.088 0.006 0.05 0.528 0.007 0.404 Compound_84 O=N(=O)c1ncccc1C 0.453 0.304 0.51 0.471 0.022 0.122 0.006 0.139 0.759 0.914 0.745 Compound_85 OCc1ccns1 0.492 0.341 0.224 0.509 0.165 0.476 0.794 0.034 0.59 0.079 0.737 Compound_86 C=CCc1cnc[nH]1 0.422 0.39 0.611 0.394 0.254 0.798 0.0 0.836 0.347 0.202 0.763 Compound_87 Cc1ccn(c(=O)c1)C 0.234 0.432 0.228 0.472 0.15 0.082 0.003 0.015 0.81 0.027 0.271 Compound_88 c1cnc2c(c1)nccc2 0.765 0.724 0.615 0.464 0.113 0.66 0.163 0.163 0.964 0.956 0.989 Compound_89 ClCc1ccc(cn1)C 0.207 0.197 0.726 0.588 0.187 0.258 0.073 0.366 0.594 0.238 0.5 Compound_90 c1cnc2c(c1)cncc2 0.74 0.685 0.922 0.523 0.09 0.698 0.01 0.083 0.964 0.978 0.963 Compound_91 CCC(=O)c1ccncc1 0.535 0.179 0.298 0.488 0.011 0.107 0.002 0.027 0.38 0.086 0.416 Compound_92 c1ncc2c(c1)ccs2 0.559 0.667 0.886 0.49 0.114 0.693 0.078 0.078 0.982 0.932 0.249 Compound_93 CNc1ccncc1 0.116 0.248 0.916 0.48 0.051 0.074 0.002 0.077 0.774 0.683 0.083 Compound_94 N#Cc1ncccc1C 0.42 0.355 0.572 0.557 0.096 0.124 0.002 0.068 0.866 0.536 0.853 Compound_95 OC(=O)C(NS(=O)(=O)c1ccc(cc1)C)Cc1c[nH]c2c1cccc2 0.266 0.36 0.125 0.178 0.547 0.64 0.985 0.398 0.343 0.192 0.121 Compound_96 c1ccc(cc1)n1cccc1 0.71 0.494 0.453 0.486 0.226 0.606 0.768 0.306 0.979 0.901 0.781 Compound_97 c1ncc2c(c1)scc2 0.745 0.667 0.929 0.525 0.095 0.714 0.083 0.044 0.982 0.932 0.249 Compound_98 CCOC(=O)Cn1cncn1 0.562 0.46 0.619 0.708 0.034 0.086 0.042 0.039 0.374 0.069 0.65 Compound_99 Cc1ccc2c(n1)cccn2 0.659 0.699 0.585 0.498 0.119 0.662 0.094 0.802 0.928 0.806 0.979 Compound_100 Cc1ccnc2c1nccc2 0.347 0.699 0.562 0.521 0.064 0.716 0.022 0.272 0.933 0.806 0.979 Compound_101 Cc1nsc2c1cccc2 0.718 0.641 0.943 0.548 0.245 0.702 0.994 0.97 0.932 0.976 0.513 Compound_102 Cc1ccc2c(n1)ccnc2 0.505 0.664 0.924 0.508 0.114 0.727 0.004 0.439 0.937 0.884 0.937 Compound_103 Cc1ncc(n1C)N(=O)=O 0.16 0.178 0.148 0.366 0.093 0.073 0.001 0.291 0.858 0.903 0.81 Compound_104 Cc1ccnc2c1ccs2 0.798 0.706 0.929 0.551 0.072 0.768 0.537 0.681 0.953 0.745 0.312 Compound_105 Cc1ccc2c(n1)nccc2 0.453 0.666 0.837 0.58 0.135 0.803 0.001 0.863 0.928 0.768 0.714 Compound_106 Cc1cnc2c(c1)ccc(n2)C 0.385 0.684 0.916 0.58 0.136 0.785 0.001 0.931 0.884 0.576 0.684 Compound_107 Cc1cnc2c(c1)cc(cn2)C 0.288 0.684 0.945 0.548 0.054 0.604 0.001 0.882 0.897 0.576 0.684 Compound_108 Cc1ccc2c(c1)cc(cn2)C 0.637 0.588 0.969 0.559 0.156 0.149 0.124 0.812 0.915 0.788 0.901 Compound_109 Cc1ccc(c2c1nccc2C)C 0.369 0.626 0.916 0.535 0.065 0.04 0.14 0.651 0.959 0.969 0.877 Compound_110 Cc1cc2c([nH]1)nccc2 0.252 0.629 0.75 0.505 0.178 0.829 0.001 0.551 0.926 0.308 0.378 Compound_111 O=Cc1nccc2c1cccc2 0.6 0.609 0.916 0.537 0.06 0.418 0.002 0.993 0.802 0.963 0.973 Compound_112 Clc1cccc2c1cc[nH]2 0.765 0.516 0.984 0.525 0.585 0.649 0.064 0.604 0.957 0.969 0.68 Compound_113 c1ccc(nc1)CCn1cccc1 0.11 0.529 0.553 0.36 0.06 0.792 0.018 0.582 0.877 0.063 0.219 Compound_114 Clc1[nH]c2c(c1C)cccc2 0.74 0.467 0.98 0.569 0.687 0.69 0.996 0.9 0.94 0.934 0.744 Compound_115 Clc1ccc2c(c1)cc([nH]2)C 0.768 0.514 0.963 0.545 0.672 0.705 0.998 0.767 0.967 0.928 0.591 Compound_116 O=c1[nH]ccc2c1cccc2 0.819 0.606 0.761 0.489 0.059 0.31 0.221 0.489 0.608 0.535 0.746 Compound_117 O=Cc1cccc2c1cnn2C 0.607 0.575 0.592 0.525 0.26 0.231 0.093 0.17 0.917 0.258 0.765 Compound_118 O=c1cc(C)c2c([nH]1)cccc2 0.562 0.665 0.899 0.432 0.57 0.486 0.933 0.557 0.901 0.522 0.73 Compound_119 O=c1[nH]c2ccccc2cc1C 0.309 0.714 0.927 0.452 0.16 0.277 0.933 0.703 0.813 0.301 0.575 Compound_120 Cc1ccc(cc1)n1ccc(=O)nc1C 0.306 0.487 0.082 0.543 0.315 0.715 0.021 0.051 0.867 0.013 0.058 Compound_121 c1ccc2c(c1)nc1c(c2)ccs1 0.963 0.676 0.978 0.683 0.367 0.882 0.967 0.465 0.99 0.954 0.401 Compound_122 Cc1ccn2c(c1)nc(=O)cc2C 0.529 0.638 0.122 0.433 0.05 0.46 0.0 0.012 0.737 0.035 0.097 Compound_123 Cc1cccc(c1)OC(=O)c1cccnc1 0.351 0.761 0.867 0.577 0.126 0.103 0.012 0.056 0.24 0.166 0.5 Compound_124 c1ccc(cc1)c1cc2c([nH]1)nccc2 0.571 0.745 0.826 0.633 0.366 0.84 0.026 0.43 0.97 0.519 0.694 Compound_125 c1ccc(cc1)C=Cc1ccncc1 0.52 0.706 0.787 0.64 0.042 0.598 0.01 0.078 0.95 0.902 0.748 Compound_126 Brc1ccc(cc1)[n+]1noc(c1)[O-] 0.698 0.434 0.282 0.548 0.328 0.652 0.003 0.472 0.483 0.488 0.51 Compound_127 CC(=O)N(CCC(c1ccccn1)c1ccccc1)C 0.082 0.567 0.253 0.502 0.031 0.579 0.003 0.195 0.405 0.002 0.058 Compound_128 COc1ccc(cc1)Cc1nc(C)cc(=O)[nH]1 0.201 0.646 0.523 0.572 0.195 0.859 0.049 0.056 0.629 0.001 0.107 Compound_129 Cc1cnccc1C 0.274 0.266 0.608 0.559 0.007 0.065 0.004 0.07 0.885 0.353 0.176 Compound_130 CCc1cnccc1C 0.155 0.474 0.523 0.562 0.013 0.141 0.006 0.044 0.837 0.597 0.279 Compound_131 Oc1cccc2c1nccc2 0.69 0.785 0.662 0.579 0.23 0.456 0.129 0.923 0.451 0.996 0.966 Compound_132 Cc1oc2c(n1)cc(c(c2)C)C 0.086 0.524 0.987 0.508 0.461 0.585 0.443 0.907 0.952 0.967 0.867 Compound_133 Sc1c[nH]c2c1cccc2 0.653 0.583 0.818 0.494 0.418 0.672 0.027 0.829 0.988 0.983 0.915 Compound_134 Cc1cnc2c(c1)cccn2 0.281 0.666 0.89 0.538 0.083 0.674 0.001 0.864 0.88 0.768 0.714 Compound_135 Cc1cncn1Cc1ccccc1 0.673 0.663 0.825 0.656 0.103 0.833 0.017 0.626 0.916 0.194 0.34 Compound_136 C=CCn1cnc2c1cccc2 0.345 0.539 0.906 0.682 0.232 0.54 0.131 0.958 0.304 0.747 0.585 Compound_137 COc1cccnc1 0.322 0.106 0.777 0.565 0.017 0.066 0.009 0.016 0.68 0.789 0.258 Compound_138 OC(c1ccccc1)Cn1ccnc1C 0.044 0.486 0.167 0.375 0.13 0.409 0.01 0.039 0.183 0.014 0.169 Compound_139 OC(C(n1cncc1)c1ccccc1)c1ccccc1 0.115 0.502 0.229 0.446 0.373 0.799 0.013 0.123 0.093 0.672 0.642 Compound_140 c1ccc2c(c1)[nH]cn2 0.27 0.619 0.93 0.425 0.174 0.787 0.009 0.144 0.349 0.769 0.911 Compound_141 c1ncc2c(c1)cc[nH]2 0.365 0.598 0.809 0.469 0.095 0.685 0.0 0.138 0.972 0.815 0.912 Compound_142 Cc1ccc2c(n1)nc(cc2C)C 0.539 0.695 0.916 0.593 0.411 0.86 0.146 0.977 0.614 0.918 0.649 Compound_143 Cc1cc[n+](c2c1cccc2)CCCS(=O)(=O)O 0.29 0.422 0.182 0.363 0.167 0.532 0.029 0.548 0.351 0.075 0.512 Compound_144 Oc1[nH]c2c(c1C)cccc2 0.758 0.503 0.968 0.552 0.733 0.633 0.756 0.898 0.826 0.917 0.894 Compound_145 Cc1cnc(c(c1)C)C 0.241 0.261 0.868 0.49 0.012 0.234 0.002 0.462 0.878 0.684 0.258 Compound_146 O=c1ccc2c(o1)ccc(c2)S(=O)(=O)NCCc1c(C)[nH]c2c1cccc2 0.531 0.554 0.661 0.215 0.664 0.686 0.974 0.796 0.193 0.059 0.147 Compound_147 Cc1cccc2c1cc[nH]2 0.505 0.549 0.98 0.517 0.186 0.61 0.039 0.957 0.904 0.939 0.809 Compound_148 N#Cc1nc(C)cnc1C 0.575 0.362 0.614 0.505 0.299 0.082 0.009 0.653 0.951 0.209 0.792 Compound_149 Cc1ccc2n1cccc2 0.587 0.511 0.256 0.406 0.129 0.645 0.265 0.732 0.945 0.884 0.563 Compound_150 Cc1nn2cnnc2cc1C 0.541 0.507 0.56 0.498 0.083 0.701 0.002 0.935 0.928 0.097 0.371 Compound_151 Cc1ccc([nH]1)c1ccccc1 0.708 0.478 0.526 0.554 0.544 0.725 0.965 0.542 0.943 0.553 0.65