"molecule_id","SaaS","ATSC5s","DELS","MAXDN","SdssC","SpMin3_Bh.i.","TIE","P_VSA_e_5","P_VSA_LogP_7","P_VSA_p_2","TPSA.NO.","Eig06_AEA.dm.","SpMax6_Bh.s.","SsssCH","GATS4m","SpMin1_Bh.e.","SpMin1_Bh.i.","SpMin1_Bh.s.","SpMin2_Bh.s.","Eta_alpha_A","AAC","AECC","ALOGP","ALOGP2","AMR","AMW","ARR","ATS1e","ATS1i","ATS1m","ATS1p","ATS1s","ATS1v","ATS2e","ATS2i","ATS2m","ATS2p","ATS2s","ATS2v","ATS3e","ATS3i","ATS3m","ATS3p","ATS3s","ATS3v","ATS4e","ATS4i","ATS4m","ATS4p","ATS4s","ATS4v","ATS5e","ATS5i","ATS5m","ATS5p","ATS5s","ATS5v","ATS6e","ATS6i","ATS6m","ATS6p","ATS6s","ATS6v","ATS7e","ATS7i","ATS7m","ATS7p","ATS7s","ATS7v","ATS8e","ATS8i","ATS8m","ATS8p","ATS8s","ATS8v","ATSC1e","ATSC1i","ATSC1m","ATSC1p","ATSC1s","ATSC1v","ATSC2e","ATSC2i","ATSC2m","ATSC2p","ATSC2s","ATSC2v","ATSC3e","ATSC3i","ATSC3m","ATSC3p","ATSC3s","ATSC3v","ATSC4e","ATSC4i","ATSC4m","ATSC4p","ATSC4s","ATSC4v","ATSC5e","ATSC5i","ATSC5m","ATSC5p","ATSC5v","ATSC6e","ATSC6i","ATSC6m","ATSC6p","ATSC6s","ATSC6v","ATSC7e","ATSC7i","ATSC7m","ATSC7p","ATSC7s","ATSC7v","ATSC8e","ATSC8i","ATSC8m","ATSC8p","ATSC8s","ATSC8v","BAC","BBI","BIC0","BIC1","BIC2","BIC3","BIC4","BIC5","BID","BLI","BLTA96","BLTD48","BLTF96","Br.094","Br.095","C.","C.001","C.005","C.006","C.016","C.017","C.024","C.025","C.026","C.027","C.028","C.033","C.034","C.035","C.037","CATS2D_01_AA","CATS2D_01_LL","CATS2D_02_AA","CATS2D_02_AL","CATS2D_02_LL","CATS2D_03_AL","CATS2D_03_LL","CATS2D_04_AA","CATS2D_04_AL","CATS2D_04_DL","CATS2D_04_LL","pXC50"
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{0 CHEMBL137860,1 1.375,2 79.897,3 30.804,4 2.105,5 -0.593,6 1.557,7 50.536,8 61.29,9 184.302,10 96.086,11 72.2,12 2.103,13 4.359,14 -0.539,15 1.246,16 1.915,17 1.895,18 1.104,19 1.036,20 0.494,21 1.812,22 11,23 4.197,24 17.611,25 98.847,26 9.372,27 0.407,28 3.799,29 3.881,30 3.599,31 3.447,32 5.003,33 3.409,34 4.29,35 4.412,36 4.002,37 3.807,38 5.555,39 3.754,40 4.49,41 4.643,42 4.058,43 3.881,44 5.722,45 3.818,46 4.541,47 4.7,48 3.989,49 3.789,50 5.832,51 3.726,52 4.406,53 4.563,54 3.716,55 3.604,56 5.776,57 3.538,58 4.258,59 4.414,60 3.677,61 3.534,62 5.596,63 3.464,64 4.168,65 4.332,66 3.579,67 3.481,68 5.526,69 3.406,70 4.176,71 4.37,72 3.489,73 3.485,74 5.318,75 3.376,76 0.079,77 0.531,78 5.314,79 3.564,80 7.586,81 3.843,82 0.332,83 0.868,84 13.178,85 6.227,86 29.222,87 6.995,88 0.385,89 1.028,90 17.575,91 7.531,92 39.145,93 8.14,94 0.539,95 1.047,96 27.036,97 8.782,98 55.135,99 8.388,100 0.669,101 0.896,102 20.245,103 6.933,104 6.632,105 0.422,106 0.801,107 18.999,108 6.694,109 54.646,110 6.467,111 0.361,112 0.721,113 13.877,114 5.58,115 56.531,116 6.034,117 0.26,118 0.723,119 15.865,120 6.074,121 29.936,122 6.997,123 26,124 38,125 0.319,126 0.702,127 0.841,128 0.885,129 0.894,130 0.894,131 3.266,132 0.981,133 -4.47,134 -4.4,135 -4.15,138 45,139 2,142 2,144 4,145 3,146 1,149 1,151 1,154 8,155 2,156 5,157 11,158 6,159 9,160 1,161 7,162 1,163 6,164 6.42}
{0 CHEMBL137895,1 1.383,2 78.552,3 30.547,4 2.098,5 -0.547,6 1.588,7 49.524,8 61.29,9 196.073,10 112.872,11 85.09,12 2.116,13 4.401,14 -0.536,15 1.163,16 2.047,17 2.025,18 1.235,19 1.04,20 0.483,21 1.687,22 11.857,23 3.718,24 13.826,25 107.964,26 8.7,27 0.516,28 3.924,29 4.013,30 3.666,31 3.561,32 5.119,33 3.532,34 4.417,35 4.545,36 4.054,37 3.928,38 5.654,39 3.887,40 4.62,41 4.781,42 4.091,43 4.013,44 5.805,45 3.965,46 4.679,47 4.844,48 4.054,49 3.961,50 5.922,51 3.907,52 4.602,53 4.777,54 3.808,55 3.818,56 5.896,57 3.742,58 4.457,59 4.645,60 3.654,61 3.704,62 5.644,63 3.617,64 4.341,65 4.521,66 3.699,67 3.601,68 5.723,69 3.547,70 4.32,71 4.52,72 3.521,73 3.592,74 5.462,75 3.51,76 0.055,77 0.624,78 7.025,79 4.03,80 7.296,81 4.422,82 0.315,83 1.029,84 15.321,85 6.826,86 29.849,87 7.829,88 0.332,89 1.243,90 18.875,91 8.175,92 37.717,93 9.225,94 0.448,95 1.282,96 25.665,97 9.416,98 49.723,99 9.684,100 0.624,101 1.146,102 22.016,103 8.22,104 8.78,105 0.31,106 1.016,107 21.932,108 8.107,109 45.938,110 8.747,111 0.399,112 0.899,113 16.283,114 6.395,115 63.081,116 7.304,117 0.244,118 0.884,119 16.479,120 6.517,121 34.52,122 7.613,123 17,124 44,125 0.286,126 0.682,127 0.835,128 0.886,129 0.894,130 0.894,131 3.374,132 0.931,133 -3.74,134 -3.7,135 -3.52,138 46.7,139 2,142 2,144 5,145 4,147 1,148 1,149 1,151 1,154 10,155 2,156 8,157 12,158 9,159 9,160 1,161 9,162 1,163 7,164 5.959}
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{0 CHEMBL137965,1 1.388,2 74.63,3 26.824,4 2.088,5 -0.497,6 1.557,7 44.521,8 61.29,9 196.073,10 96.086,11 72.2,12 2.103,13 4.193,14 -0.502,15 1.145,16 1.92,17 1.894,18 1.105,19 1.036,20 0.485,21 1.677,22 10.917,23 3.532,24 12.476,25 94.043,26 8.511,27 0.423,28 3.791,29 3.882,30 3.517,31 3.42,32 4.979,33 3.382,34 4.281,35 4.413,36 3.891,37 3.768,38 5.52,39 3.714,40 4.476,41 4.645,42 3.892,43 3.819,44 5.656,45 3.757,46 4.524,47 4.703,48 3.862,49 3.727,50 5.769,51 3.668,52 4.394,53 4.565,54 3.631,55 3.562,56 5.75,57 3.501,58 4.246,59 4.416,60 3.477,61 3.506,62 5.483,63 3.425,64 4.158,65 4.334,66 3.488,67 3.444,68 5.503,69 3.371,70 4.161,71 4.373,72 3.287,73 3.421,74 5.261,75 3.31,76 0.046,77 0.542,78 6.777,79 3.758,80 6.673,81 4.197,82 0.293,83 0.885,84 14.578,85 6.302,86 27.985,87 7.367,88 0.296,89 1.053,90 17.705,91 7.419,92 34.622,93 8.543,94 0.422,95 1.072,96 24.603,97 8.328,98 48.23,99 8.701,100 0.584,101 0.909,102 19.316,103 6.608,104 6.966,105 0.285,106 0.815,107 18.481,108 6.527,109 43.792,110 6.712,111 0.302,112 0.732,113 13.921,114 5.466,115 53.026,116 6.288,117 0.186,118 0.739,119 14.85,120 5.878,121 26.669,122 7.16,123 17,124 36,125 0.295,126 0.667,127 0.805,128 0.847,129 0.859,130 0.859,131 3.228,132 0.963,133 -3.97,134 -3.92,135 -3.72,138 45,139 2,142 2,144 5,145 3,149 1,151 1,154 10,155 2,156 5,157 12,158 6,159 8,160 1,161 7,162 1,163 4,164 6.301}
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{0 CHEMBL342811,1 3.088,2 74.951,3 27.495,4 2.084,5 -0.467,6 1.529,7 49.222,8 61.29,9 250.893,10 96.086,11 72.2,12 2.152,13 4.148,14 -0.498,15 1.027,16 1.764,17 1.738,18 1.046,19 0.971,20 0.499,21 1.732,22 11,23 3.485,24 12.146,25 102.681,26 8.71,27 0.37,28 3.858,29 3.947,30 3.643,31 3.515,32 5.003,33 3.444,34 4.37,35 4.517,36 4.069,37 3.892,38 5.547,39 3.799,40 4.507,41 4.647,42 3.988,43 3.93,44 5.68,45 3.831,46 4.616,47 4.788,48 3.953,49 3.862,50 5.827,51 3.776,52 4.516,53 4.693,54 3.722,55 3.706,56 5.806,57 3.606,58 4.427,59 4.636,60 3.668,61 3.626,62 5.569,63 3.517,64 4.251,65 4.43,66 3.581,67 3.541,68 5.56,69 3.445,70 4.264,71 4.466,72 3.486,73 3.554,74 5.362,75 3.42,76 0.043,77 0.594,78 7.701,79 4.326,80 6.489,81 4.823,82 0.316,83 0.992,84 18.267,85 7.715,86 30.717,87 8.79,88 0.294,89 1.146,90 24.376,91 9.194,92 29.67,93 9.358,94 0.409,95 1.191,96 26.747,97 9.587,98 46.278,99 10.02,100 0.588,101 1.044,102 22.591,103 8.112,104 8.686,105 0.329,106 0.985,107 25.114,108 8.4,109 44.334,110 9.191,111 0.336,112 0.819,113 16.642,114 6.374,115 57.386,116 7.102,117 0.243,118 0.843,119 18.184,120 6.878,121 35.086,122 7.73,123 37,124 39,125 0.301,126 0.657,127 0.792,128 0.842,129 0.866,130 0.866,131 3.266,132 1.054,133 -4.05,134 -4,135 -3.78,138 41.9,139 4,142 2,144 1,145 3,149 1,150 2,151 1,154 5,155 2,156 5,157 11,158 6,159 6,160 1,161 7,162 1,163 5,164 6.638}
{0 CHEMBL343810,1 2.915,2 74.455,3 28.194,4 2.09,5 -0.504,6 1.517,7 46.11,8 61.29,9 180.266,10 96.086,11 72.2,12 2.103,13 4.151,14 -0.506,15 0.916,16 1.751,17 1.728,18 1.043,19 0.934,20 0.533,21 1.943,22 10.333,23 4.234,24 17.926,25 100.5,26 11.496,27 0.385,28 3.733,29 3.802,30 3.748,31 3.448,32 4.927,33 3.377,34 4.224,35 4.331,36 4.188,37 3.821,38 5.484,39 3.729,40 4.377,41 4.512,42 4.368,43 3.855,44 5.607,45 3.743,46 4.417,47 4.559,48 4.016,49 3.712,50 5.725,51 3.641,52 4.319,53 4.46,54 3.867,55 3.562,56 5.709,57 3.488,58 4.166,59 4.308,60 3.896,61 3.507,62 5.473,63 3.417,64 4.068,65 4.216,66 3.705,67 3.484,68 5.408,69 3.357,70 4.064,71 4.236,72 3.775,73 3.483,74 5.178,75 3.328,76 0.091,77 0.487,78 1.292,79 3.236,80 7.136,81 3.261,82 0.344,83 0.828,84 10.071,85 6.36,86 28.389,87 6.338,88 0.393,89 0.952,90 26.113,91 8.167,92 35.55,93 7.003,94 0.508,95 0.979,96 27.036,97 8.686,98 47.344,99 6.852,100 0.664,101 0.87,102 16.886,103 7,104 5.415,105 0.365,106 0.753,107 18.214,108 6.924,109 40.957,110 5.822,111 0.351,112 0.677,113 13.347,114 5.806,115 51.701,116 5.408,117 0.251,118 0.698,119 21.018,120 6.916,121 21.915,122 6.606,123 26,124 37,125 0.348,126 0.743,127 0.867,128 0.887,129 0.887,130 0.887,131 3.228,132 1.109,133 -4.2,134 -4.14,135 -3.91,136 1,138 43.2,139 2,142 2,144 1,145 2,146 1,149 2,150 1,151 1,154 3,155 2,156 5,157 6,158 6,159 5,160 1,161 6,163 3,164 5.955}
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