"molecule_id","GATS3m","GATS4e","GATS4s","GATS6e","GATS6m","GATS6s","GATS8e","GATS8m","GATS8s","GATS8v","JGI6","MATS2i","MATS6m","MATS8e","MATS8s","MATS8v","MATS6s","Eig15_AEA.bo.","Eig15_AEA.dm.","Eig15_AEA.ri.","Eig15_EA","Eig15_EA.bo.","Eig15_EA.ed.","Eig15_EA.ri.","MATS7i","MATS8m","SM09_AEA.dm.","SM10_AEA.ri.","ATSC3e","AAC","AECC","ALOGP","ALOGP2","AMR","AMW","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","ATSC3i","ATSC3m","ATSC3p","ATSC3s","ATSC3v","ATSC4e","ATSC4i","ATSC4m","ATSC4p","ATSC4s","ATSC4v","ATSC5e","ATSC5i","ATSC5m","ATSC5p","ATSC5s","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","C.","C.001","C.002","pXC50"
{1 0.955,2 0.955,3 0.936,4 0.977,5 0.985,6 1.015,7 1.375,8 1.043,9 1.413,10 0.697,11 0.025,12 -0.166,13 -0.046,14 -0.209,15 -0.202,16 0.043,17 -0.018,18 -1,19 -1.908,20 -1.037,21 -2,22 -2,23 -7.5,24 -1.942,25 -0.09,26 -0.088,27 -2,28 -7.5,29 0.721,30 1.463,31 6.267,32 -0.575,33 0.331,34 55.742,35 6.092,36 3.658,37 3.786,38 2.981,39 2.989,40 4.699,41 2.963,42 4.249,43 4.447,44 3.316,45 3.399,46 5.186,47 3.338,48 4.634,49 4.874,50 3.533,51 3.598,52 5.781,53 3.51,54 4.723,55 4.979,56 3.416,57 3.593,58 5.852,59 3.474,60 4.676,61 4.96,62 3.094,63 3.449,64 5.715,65 3.291,66 4.441,67 4.733,68 2.782,69 3.213,70 5.469,71 3.023,72 4.192,73 4.509,74 2.337,75 2.871,76 5.138,77 2.65,78 3.784,79 4.119,80 1.482,81 2.276,82 4.749,83 2.013,84 0.103,85 0.439,86 9.484,87 3.224,88 22.431,89 4.746,90 0.221,91 0.676,92 16.949,93 4.907,94 38.606,95 7.765,96 0.809,97 25.137,98 6.31,99 96.747,100 10.264,101 0.737,102 0.785,103 27.114,104 6.428,105 110.185,106 10.721,107 0.71,108 0.661,109 25.423,110 5.722,111 107.595,112 9.697,113 0.539,114 0.511,115 19.742,116 4.684,117 85.593,118 7.861,119 0.357,120 0.352,121 15.081,122 3.295,123 55.627,124 5.801,125 0.332,126 0.18,127 10.033,128 1.733,129 48.65,130 3.289,131 32,132 20,133 0.283,134 0.494,135 0.784,136 0.895,137 0.921,138 0.921,139 2.795,140 1.101,141 -0.42,142 -0.55,143 -0.7,144 27.8,145 1,146 2,147 6.377}
{0 CHEMBL184028,1 0.923,2 1.066,3 1.06,4 0.936,5 0.955,6 0.932,7 0.883,8 0.93,9 0.873,10 0.952,11 0.015,12 -0.254,13 -0.009,14 -0.051,15 -0.05,16 0.01,17 0.017,18 -0.408,19 -1.155,20 -0.464,21 -1.408,22 -1.408,23 -3.265,24 -1.312,25 0.008,26 0.002,27 -1.408,28 -3.265,29 0.73,30 1.355,31 10.45,32 1.655,33 2.738,34 77.724,35 5.676,36 3.974,37 4.114,38 3.235,39 3.364,40 4.918,41 3.302,42 4.584,43 4.792,44 3.535,45 3.783,46 5.418,47 3.668,48 4.992,49 5.265,50 3.723,51 3.954,52 5.995,53 3.809,54 5.042,55 5.322,56 3.585,57 3.926,58 6.046,59 3.76,60 4.959,61 5.259,62 3.353,63 3.819,64 5.844,65 3.621,66 4.822,67 5.129,68 3.174,69 3.674,70 5.691,71 3.465,72 4.662,73 4.974,74 3.008,75 3.538,76 5.412,77 3.326,78 4.525,79 4.834,80 2.925,81 3.418,82 5.282,83 3.216,84 0.098,85 0.638,86 13.372,87 5.034,88 16.557,89 7.229,90 0.174,91 0.999,92 23.411,93 7.928,94 29.139,95 12.009,96 1.197,97 34.097,98 9.719,99 98.687,100 15.368,101 0.783,102 1.152,103 35.386,104 9.594,105 112.889,106 15.314,107 0.58,108 1.028,109 31.477,110 8.844,111 82.969,112 14.113,113 0.519,114 0.887,115 27.112,116 7.698,117 74.147,118 12.279,119 0.335,120 0.773,121 22.807,122 6.68,123 44.45,124 10.643,125 0.28,126 0.684,127 19.985,128 5.863,129 37.106,130 9.342,131 37,132 25,133 0.239,134 0.416,135 0.627,136 0.756,137 0.852,138 0.908,139 3.055,140 1.204,141 -2.7,142 -2.71,143 -2.64,144 29.4,145 1,146 8,147 5.824}
{0 CHEMBL186068,1 0.95,2 0.932,3 0.917,4 0.928,5 0.933,6 0.926,7 0.921,8 0.935,9 0.908,10 0.944,11 0.016,12 -0.18,13 0.006,14 -0.061,15 -0.056,16 0.011,17 0.018,18 -0.501,19 -1.271,20 -0.585,21 -1.501,22 -1.501,23 -3.6,24 -1.383,25 0.007,27 -1.501,28 -3.6,29 0.724,30 1.373,31 9.579,32 1.249,33 1.561,34 74.146,35 5.738,36 3.919,37 4.056,38 3.194,39 3.292,40 4.874,41 3.238,42 4.529,43 4.741,44 3.494,45 3.704,46 5.374,47 3.602,48 4.914,49 5.179,50 3.681,51 3.891,52 5.922,53 3.756,54 4.982,55 5.257,56 3.581,57 3.886,58 5.983,59 3.728,60 4.946,61 5.243,62 3.32,63 3.776,64 5.866,65 3.584,66 4.775,67 5.085,68 3.117,69 3.604,70 5.655,71 3.396,72 4.58,73 4.89,74 2.938,75 3.444,76 5.35,77 3.239,78 4.431,79 4.736,80 2.849,81 3.311,82 5.213,83 3.117,84 0.086,85 0.598,86 12.621,87 4.602,88 16.475,89 6.692,90 0.193,91 0.93,92 22.256,93 7.114,94 29.242,95 10.968,96 1.117,97 31.958,98 9.004,99 90.717,100 14.238,101 0.706,102 1.1,103 33.593,104 9.162,105 98.32,106 14.656,107 0.637,108 0.976,109 31.482,110 8.383,111 91.7,112 13.551,113 0.525,114 0.821,115 26.049,116 7.127,117 75.476,118 11.511,119 0.332,120 0.697,121 21.254,122 6.002,123 44.506,124 9.665,125 0.275,126 0.609,127 18.401,128 5.189,129 36.951,130 8.36,131 36,132 24,133 0.246,134 0.424,135 0.689,136 0.83,137 0.9,138 0.915,139 3.008,140 1.185,141 -2.44,142 -2.47,143 -2.42,144 29.2,145 1,146 6,147 7.097}
{0 CHEMBL186150,1 0.951,2 0.941,3 0.925,4 0.965,5 0.936,6 0.961,7 0.969,8 1.008,9 1.018,10 1.065,11 0.019,12 -0.173,13 0.007,14 -0.078,15 -0.09,16 -0.088,17 0.006,18 -0.729,19 -1.545,20 -0.781,21 -1.729,22 -1.729,23 -5.215,24 -1.635,25 0.084,26 -0.074,27 -1.729,28 -5.215,29 0.698,30 1.413,31 7.941,32 0.337,33 0.114,34 64.944,35 5.89,36 3.797,37 3.93,38 3.093,39 3.152,40 4.79,41 3.11,42 4.399,43 4.605,44 3.409,45 3.563,46 5.284,47 3.479,48 4.784,49 5.038,50 3.61,51 3.755,52 5.854,53 3.64,54 4.86,55 5.128,56 3.502,57 3.75,58 5.919,59 3.609,60 4.82,61 5.111,62 3.217,63 3.622,64 5.795,65 3.445,66 4.624,67 4.929,68 2.988,69 3.419,70 5.566,71 3.227,72 4.393,73 4.698,74 2.773,75 3.232,76 5.224,77 3.046,78 4.204,79 4.493,80 2.609,81 3.078,82 5.071,83 2.887,84 0.078,85 0.519,86 11.062,87 3.914,88 19.167,89 5.72,90 0.178,91 0.803,92 19.633,93 6.01,94 33.525,95 9.371,96 0.963,97 28.611,98 7.655,99 93.576,100 12.259,101 0.691,102 0.943,103 30.395,104 7.795,105 103.677,106 12.694,107 0.642,108 0.819,109 28.467,110 7.008,111 98.829,112 11.603,113 0.526,114 0.666,115 23.006,116 5.762,117 80.416,118 9.561,119 0.337,120 0.547,121 18.101,122 4.738,123 48.144,124 7.753,125 0.24,126 0.458,127 15.002,128 4.133,129 38.922,130 6.644,131 34,132 22,133 0.262,134 0.457,135 0.743,136 0.879,137 0.917,138 0.917,139 2.907,140 1.148,141 -0.99,142 -1.09,143 -1.19,144 28.6,145 1,146 4,147 6.155}
{0 CHEMBL186291,1 0.921,2 1.071,3 1.065,4 0.952,5 0.957,6 0.949,7 0.921,8 0.935,9 0.912,10 0.944,11 0.016,12 -0.255,13 -0.01,14 -0.061,15 -0.06,16 0.011,17 0.012,18 -0.489,19 -1.311,20 -0.568,21 -1.489,22 -1.489,23 -3.598,24 -1.39,25 0.007,27 -1.489,28 -3.598,29 0.716,30 1.373,31 9.632,32 1.198,33 1.436,34 73.123,35 5.738,36 3.919,37 4.057,38 3.187,39 3.301,40 4.879,41 3.245,42 4.525,43 4.73,44 3.495,45 3.72,46 5.376,47 3.612,48 4.934,49 5.203,50 3.689,51 3.893,52 5.964,53 3.756,54 4.987,55 5.264,56 3.547,57 3.863,58 6.016,59 3.705,60 4.899,61 5.197,62 3.305,63 3.748,64 5.808,65 3.556,66 4.752,67 5.058,68 3.116,69 3.592,70 5.649,71 3.389,72 4.58,73 4.89,74 2.938,75 3.444,76 5.356,77 3.239,78 4.431,79 4.736,80 2.849,81 3.311,82 5.218,83 3.117,84 0.094,85 0.599,86 12.6,87 4.691,88 17.765,89 6.743,90 0.164,91 0.936,92 22.11,93 7.375,94 31.199,95 11.214,96 1.119,97 32.465,98 9.042,99 100.211,100 14.385,101 0.778,102 1.074,103 33.825,104 8.911,105 115.591,106 14.336,107 0.578,108 0.95,109 29.958,110 8.159,111 85.803,112 13.14,113 0.517,114 0.81,115 25.584,116 7.017,117 76.304,118 11.304,119 0.332,120 0.697,121 21.254,122 6.002,123 46.238,124 9.665,125 0.275,126 0.609,127 18.401,128 5.189,129 38.491,130 8.36,131 36,132 24,133 0.246,134 0.431,135 0.652,136 0.786,137 0.88,138 0.923,139 3.008,140 1.188,141 -2.44,142 -2.47,143 -2.42,144 29.2,145 1,146 7,147 6.229}
{0 CHEMBL187158,1 0.95,2 0.928,3 0.914,4 0.914,5 0.933,6 0.912,7 0.883,8 0.93,9 0.871,10 0.952,11 0.015,12 -0.183,13 0.006,14 -0.051,15 -0.049,16 0.01,17 0.022,18 -0.442,19 -1.179,20 -0.478,21 -1.442,22 -1.442,23 -3.275,24 -1.348,25 0.008,26 0.002,27 -1.442,28 -3.275,29 0.737,30 1.355,31 10.4,32 1.706,33 2.909,34 78.747,35 5.676,36 3.974,37 4.113,38 3.241,39 3.356,40 4.913,41 3.296,42 4.588,43 4.803,44 3.534,45 3.768,46 5.416,47 3.658,48 4.973,49 5.243,50 3.715,51 3.952,52 5.954,53 3.809,54 5.037,55 5.316,56 3.618,57 3.948,58 6.013,59 3.782,60 5.004,61 5.302,62 3.369,63 3.844,64 5.901,65 3.646,66 4.843,67 5.155,68 3.175,69 3.685,70 5.697,71 3.472,72 4.662,73 4.974,74 3.008,75 3.538,76 5.407,77 3.326,78 4.525,79 4.834,80 2.925,81 3.418,82 5.276,83 3.216,84 0.091,85 0.637,86 13.395,87 4.946,88 15.306,89 7.178,90 0.201,91 0.993,92 23.551,93 7.666,94 27.356,95 11.763,96 1.194,97 33.598,98 9.68,99 89.42,100 15.223,101 0.715,102 1.178,103 35.172,104 9.845,105 95.994,106 15.634,107 0.637,108 1.054,109 32.986,110 9.069,111 88.633,112 14.524,113 0.527,114 0.898,115 27.565,116 7.81,117 73.321,118 12.485,119 0.335,120 0.773,121 22.807,122 6.68,123 42.793,124 10.643,125 0.28,126 0.684,127 19.985,128 5.863,129 35.568,130 9.342,131 37,132 25,133 0.239,134 0.41,135 0.664,136 0.801,137 0.882,138 0.914,139 3.055,140 1.201,141 -2.7,142 -2.71,143 -2.64,144 29.4,145 1,146 7,147 7.097}
{0 CHEMBL187208,1 0.916,2 1.112,3 1.097,4 1.068,5 1.011,6 1.086,7 1.118,8 0.807,9 1.15,10 0.419,11 0.02,12 -0.268,13 -0.063,14 -0.124,15 -0.152,16 0.262,17 -0.035,25 -0.039,26 0.1,29 0.73,30 1.492,31 5.643,32 -1.083,33 1.172,34 50.118,35 6.221,36 3.581,37 3.707,38 2.912,39 2.908,40 4.656,41 2.891,42 4.159,43 4.341,44 3.267,45 3.33,46 5.135,47 3.275,48 4.578,49 4.817,50 3.502,51 3.512,52 5.793,53 3.438,54 4.653,55 4.905,56 3.328,57 3.468,58 5.857,59 3.366,60 4.528,61 4.807,62 2.966,63 3.288,64 5.617,65 3.136,66 4.298,67 4.596,68 2.512,69 2.969,70 5.39,71 2.771,72 3.879,73 4.212,74 1.768,75 2.456,76 4.816,77 2.199,78 3.237,79 3.61,80 0.673,81 1.661,82 4.06,83 1.344,84 0.127,85 0.401,86 8.676,87 2.971,88 25.862,89 4.305,90 0.213,91 0.621,92 15.38,93 4.611,94 44.958,95 7.207,96 0.731,97 23.91,98 5.663,99 109.671,100 9.421,101 0.849,102 0.678,103 25.8,104 5.49,105 133.868,106 9.408,107 0.666,108 0.548,109 22.252,110 4.759,111 104.503,112 8.257,113 0.582,114 0.382,115 17.478,116 3.576,117 91.574,118 6.323,119 0.333,120 0.216,121 11.18,122 2.105,123 49.364,124 3.953,125 0.214,126 0.084,127 5.738,128 0.868,129 30.333,130 1.791,131 31,132 19,133 0.296,134 0.531,135 0.782,136 0.883,137 0.923,138 0.935,139 2.734,140 1.077,141 -0.12,142 -0.26,143 -0.44,144 27.3,145 1,146 2,147 4.824}
{0 CHEMBL307429,1 0.946,2 1.097,3 1.087,4 0.861,5 0.756,6 0.863,12 -0.25,13 0.224,14 0.389,15 0.298,16 0.773,17 0.146,25 0.268,26 0.813,29 0.785,30 1.601,31 4.545,32 -2.44,33 5.954,34 36.574,35 6.8,36 3.305,37 3.417,38 2.7,39 2.568,40 4.48,41 2.598,42 3.851,43 4.007,44 3.054,45 2.985,46 4.957,47 2.981,48 4.271,49 4.486,50 3.247,51 3.13,52 5.648,53 3.095,54 4.283,55 4.53,56 2.867,57 2.926,58 5.634,59 2.842,60 3.926,61 4.229,62 2.058,63 2.396,64 5.129,65 2.229,66 3.11,67 3.438,68 1.28,69 1.551,70 4.417,71 1.356,72 1.953,73 2.278,74 0.225,75 0.655,76 2.833,77 0.503,78 0.635,79 0.899,80 0.007,81 0.135,82 0.693,83 0.067,84 0.184,85 0.278,86 6.231,87 1.931,88 33.446,89 2.826,90 0.305,91 0.419,92 10.992,93 2.987,94 55.111,95 4.763,96 0.451,97 17.968,98 3.596,99 117.274,100 6.311,101 0.903,102 0.33,103 18.802,104 2.893,105 138.229,106 5.653,107 0.656,108 0.171,109 13.36,110 1.703,111 100.167,112 3.696,113 0.325,114 0.06,115 5.873,116 0.668,117 49.916,118 1.544,119 0.083,120 0.014,121 1.668,122 0.162,123 11.903,124 0.41,125 0.008,126 0.002,127 0.232,128 0.031,129 0.986,130 0.078,131 18,132 15,133 0.349,134 0.593,135 0.805,136 0.92,137 0.964,138 0.964,139 2.525,140 0.968,141 0.89,142 0.69,143 0.41,144 25,147 7.412}
{0 CHEMBL362754,1 0.959,2 0.97,3 0.944,4 0.971,5 0.919,6 0.979,7 0.735,8 0.531,9 0.762,10 0.276,11 0.013,12 -0.163,13 0.011,14 0.023,15 -0.022,16 0.407,17 0.017,25 0.091,26 0.309,29 0.733,30 1.492,31 5.429,32 -1.032,33 1.064,34 51.141,35 6.221,36 3.581,37 3.705,38 2.92,39 2.896,40 4.65,41 2.881,42 4.165,43 4.358,44 3.266,45 3.306,46 5.133,47 3.26,48 4.55,49 4.781,50 3.493,51 3.509,52 5.744,53 3.438,54 4.646,55 4.896,56 3.365,57 3.51,58 5.813,59 3.405,60 4.592,61 4.864,62 2.99,63 3.355,64 5.677,65 3.193,66 4.368,67 4.68,68 2.539,69 2.996,70 5.452,71 2.784,72 3.895,73 4.231,74 1.536,75 2.353,76 4.871,77 2.089,78 2.944,79 3.349,80 0.423,81 1.405,82 3.584,83 1.054,84 0.119,85 0.399,86 8.684,87 2.878,88 24.315,89 4.257,90 0.246,91 0.612,92 15.576,93 4.357,94 41.475,95 6.957,96 0.732,97 23.33,98 5.641,99 98.387,100 9.257,101 0.772,102 0.707,103 25.42,104 5.837,105 113.96,106 9.775,107 0.709,108 0.579,109 23.701,110 5.225,111 112.268,112 8.926,113 0.593,114 0.39,115 18.624,116 3.701,117 91.703,118 6.706,119 0.419,120 0.189,121 11.553,122 1.852,123 60.462,124 3.633,125 0.138,126 0.061,127 4.093,128 0.657,129 18.765,130 1.371,131 31,132 19,133 0.296,134 0.511,135 0.794,136 0.895,137 0.923,138 0.923,139 2.734,140 1.073,141 -0.12,142 -0.26,143 -0.44,144 27.3,145 1,146 1,147 5.699}
{0 CHEMBL364554,1 0.918,2 1.083,3 1.075,4 0.994,5 0.964,6 0.991,7 1.042,8 1.013,9 1.012,10 0.969,11 0.019,12 -0.258,13 -0.013,14 -0.107,15 -0.082,16 -0.035,17 -0.003,18 -0.729,19 -1.549,20 -0.777,21 -1.729,22 -1.729,23 -5.179,24 -1.636,25 0.003,26 -0.064,27 -1.729,28 -5.179,29 0.689,30 1.413,31 8,32 0.286,33 0.082,34 63.921,35 5.89,36 3.797,37 3.931,38 3.086,39 3.162,40 4.795,41 3.118,42 4.394,43 4.592,44 3.41,45 3.582,46 5.287,47 3.49,48 4.806,49 5.066,50 3.619,51 3.757,52 5.899,53 3.64,54 4.867,55 5.135,56 3.465,57 3.723,58 5.955,59 3.583,60 4.767,61 5.058,62 3.199,63 3.59,64 5.731,65 3.414,66 4.597,67 4.897,68 2.987,69 3.405,70 5.558,71 3.218,72 4.393,73 4.697,74 2.782,75 3.223,76 5.237,77 3.037,78 4.21,79 4.507,80 2.607,81 3.047,82 5.097,83 2.866,84 0.087,85 0.52,86 11.045,87 4.004,88 20.546,89 5.77,90 0.147,91 0.81,92 19.472,93 6.269,94 35.928,95 9.618,96 0.965,97 29.141,98 7.688,99 103.627,100 12.411,101 0.771,102 0.916,103 30.671,104 7.543,105 121.821,106 12.374,107 0.578,108 0.793,109 26.904,110 6.788,111 92.354,112 11.189,113 0.516,114 0.656,115 22.51,116 5.654,117 81.207,118 9.35,119 0.328,120 0.546,121 18.118,122 4.648,123 50.308,124 7.703,125 0.271,126 0.451,127 15.163,128 3.874,129 42.13,130 6.397,131 34,132 22,133 0.262,134 0.467,135 0.708,136 0.845,137 0.917,138 0.926,139 2.906,140 1.151,141 -0.99,142 -1.09,143 -1.19,144 28.6,145 1,146 5,147 6.097}
{0 CHEMBL365496,1 0.916,2 1.101,3 1.09,4 1.067,5 1.025,6 1.046,7 1.007,8 0.923,9 1.009,10 0.847,11 0.02,12 -0.264,13 -0.065,14 -0.083,15 -0.067,16 -0.02,17 -0.022,18 -1,19 -1.938,20 -1.04,21 -2,22 -2,23 -7.515,24 -1.954,25 -0.034,26 -0.017,27 -2,28 -7.515,29 0.715,30 1.463,31 6.333,32 -0.626,33 0.392,34 54.719,35 6.092,36 3.658,37 3.787,38 2.973,39 3,40 4.705,41 2.973,42 4.244,43 4.432,44 3.317,45 3.421,46 5.188,47 3.352,48 4.66,49 4.907,50 3.543,51 3.601,52 5.83,53 3.51,54 4.73,55 4.987,56 3.375,57 3.561,58 5.889,59 3.444,60 4.614,61 4.898,62 3.081,63 3.402,64 5.651,65 3.247,66 4.414,67 4.706,68 2.779,69 3.168,70 5.474,71 2.994,72 4.15,73 4.46,74 2.305,75 2.866,76 5.071,77 2.651,78 3.766,79 4.098,80 1.725,81 2.387,82 4.687,83 2.132,84 0.112,85 0.441,86 9.472,87 3.316,88 23.917,89 4.794,90 0.189,91 0.684,92 16.767,93 5.163,94 41.652,95 8.014,96 0.809,97 25.698,98 6.337,99 107.554,100 10.423,101 0.82,102 0.758,103 27.449,104 6.175,105 129.409,106 10.401,107 0.63,108 0.636,109 23.82,110 5.416,111 100.453,112 9.231,113 0.559,114 0.494,115 19.387,116 4.323,117 86.896,118 7.396,119 0.363,120 0.352,121 14.52,122 3.269,123 56.436,124 5.642,125 0.249,126 0.207,127 9.698,128 1.986,129 38.175,130 3.609,131 32,132 20,133 0.283,134 0.508,135 0.765,136 0.884,137 0.921,138 0.931,139 2.795,140 1.105,141 -0.42,142 -0.55,143 -0.7,144 27.8,145 1,146 3,147 4.587}
{0 CHEMBL369297,1 0.946,2 1.097,3 1.087,4 0.861,5 0.756,6 0.863,12 -0.25,13 0.224,14 0.389,15 0.298,16 0.773,17 0.146,25 0.268,26 0.813,29 0.785,30 1.601,31 4.545,32 -2.44,33 5.954,34 36.574,35 6.8,36 3.305,37 3.417,38 2.7,39 2.568,40 4.48,41 2.598,42 3.851,43 4.007,44 3.054,45 2.985,46 4.957,47 2.981,48 4.271,49 4.486,50 3.247,51 3.13,52 5.648,53 3.095,54 4.283,55 4.53,56 2.867,57 2.926,58 5.634,59 2.842,60 3.926,61 4.229,62 2.058,63 2.396,64 5.129,65 2.229,66 3.11,67 3.438,68 1.28,69 1.551,70 4.417,71 1.356,72 1.953,73 2.278,74 0.225,75 0.655,76 2.833,77 0.503,78 0.635,79 0.899,80 0.007,81 0.135,82 0.693,83 0.067,84 0.184,85 0.278,86 6.231,87 1.931,88 33.446,89 2.826,90 0.305,91 0.419,92 10.992,93 2.987,94 55.111,95 4.763,96 0.451,97 17.968,98 3.596,99 117.274,100 6.311,101 0.903,102 0.33,103 18.802,104 2.893,105 138.229,106 5.653,107 0.656,108 0.171,109 13.36,110 1.703,111 100.167,112 3.696,113 0.325,114 0.06,115 5.873,116 0.668,117 49.916,118 1.544,119 0.083,120 0.014,121 1.668,122 0.162,123 11.903,124 0.41,125 0.008,126 0.002,127 0.232,128 0.031,129 0.986,130 0.078,131 18,132 15,133 0.349,134 0.593,135 0.805,136 0.92,137 0.964,138 0.964,139 2.525,140 0.968,141 0.89,142 0.69,143 0.41,144 25,147 5.367}