"molecule_id","nArCONH2","C.042","CATS2D_08_PL","Chi0_EA.dm.","CATS2D_07_AP","NaasN","TPSA.Tot.","D.Dtr05","CATS2D_05_AP","CATS2D_04_AP","Eig03_EA.dm.","CATS2D_09_AL","Eig02_EA.ed.","SM11_AEA.dm.","SsNH2","CATS2D_02_AL","Eig04_EA.dm.","nArOR","CATS2D_04_PL","SdssC","C.035","P_VSA_s_3","CATS2D_04_DA","SaaS","CATS2D_03_AL","SaasN","ATSC4e","X5v","P_VSA_s_6","ATSC7e","TWC","GATS8i","SRW07","P_VSA_LogP_6","CATS2D_05_DA","ATSC2e","Eig01_AEA.bo.","SpMax_AEA.bo.","NssO","Eig01_AEA.ed.","SpMax_AEA.ed.","Neoplastic.80","SM15_EA","ATS7p","SpDiam_EA.ed.","SpMax3_Bh.m.","nImidazoles","SM13_AEA.ed.","SpMin5_Bh.s.","SM14_EA","MPC06","SM08_AEA.bo.","SpDiam_AEA.ri.","SM12_AEA.ed.","CATS2D_02_AA","SM11_AEA.ed.","SM14_AEA.ed.","CATS2D_06_AA","SpMin4_Bh.p.","CATS2D_03_PL","Infective.80","SpMin7_Bh.p.","CATS2D_04_AA","Eig03_AEA.dm.","ATSC2s","SM15_AEA.ed.","SM09_EA.ed.","SM03_EA.bo.","SpDiam_EA.dm.","SM10_EA.ed.","pXC50"
{4 4.368,7 77.85,8 74.848,12 4,13 8.88,14 8.88,16 4,22 28.07,25 8,27 0.275,28 2.284,29 70.688,30 0.242,31 12.577,32 0.972,33 4.727,34 17.717,35 1,36 0.115,37 4.568,38 4.568,40 6.747,41 6.747,42 1,43 17.665,44 3.953,45 18.235,46 3.785,47 1,48 25.291,49 0.462,50 16.542,51 4.718,52 13.044,53 5.207,54 23.437,56 21.589,57 27.151,58 1,59 1.597,61 1,62 1.062,64 2.897,65 15.682,66 29.017,67 21.832,68 4.796,69 5.9,70 24.24,71 5.05}
{0 CHEMBL101253,4 18.364,7 50.7,12 1,13 8.069,14 8.069,16 5,22 22.208,25 7,27 0.152,28 2.061,29 89.26,30 0.139,31 12.382,32 1.086,34 2.328,36 0.051,37 4.596,38 4.596,40 6.707,41 6.707,43 17.336,44 3.781,45 18.155,46 3.787,48 24.99,49 0.418,50 16.224,51 4.489,52 12.897,53 5.178,54 23.134,56 21.287,57 26.854,58 1,59 1.553,61 1,62 1.062,64 2.823,65 10.565,66 28.724,67 21.565,68 4.691,69 1.36,70 23.98,71 5.05}
{0 CHEMBL103667,4 36.989,6 1,7 80.65,8 114.727,11 0.86,12 8,13 10.879,14 10.879,16 7,17 0.8,18 1,20 -0.338,21 1,22 48.543,23 1,25 11,26 1.781,27 0.467,28 3.204,29 63.808,30 0.461,31 12.911,32 0.945,33 4.727,34 4.276,35 2,36 0.407,37 4.594,38 4.594,39 2,40 7.139,41 7.139,43 18.638,44 4.471,45 19.07,46 3.743,48 26.176,49 0.925,50 17.466,51 4.977,52 13.406,53 5.453,54 24.263,56 22.356,57 28.094,58 1,59 1.919,62 1.576,63 1,64 3.227,65 38.337,66 30.018,67 22.783,68 5.182,69 2.912,70 25.235,71 5.05}
{0 CHEMBL105442,4 16.843,7 50.36,11 0.4,12 1,13 8.685,14 8.685,16 2,20 -0.663,22 46.467,23 1,25 4,27 0.789,28 1.741,29 105.433,30 0.91,31 12.364,32 1.085,33 5.416,34 29.92,35 1,36 0.379,37 4.52,38 4.52,39 1,40 6.732,41 6.732,43 17.536,44 3.714,45 18.175,46 3.88,48 25.215,49 0.284,50 16.425,51 4.29,52 12.88,53 5.183,54 23.362,56 21.516,57 27.074,59 1.425,62 1.016,64 3.218,65 38.569,66 28.938,67 21.633,68 4.783,69 4.191,70 24.038,71 5}
{0 CHEMBL1076721,4 12.144,7 95.75,8 63.26,12 2,13 7.505,14 7.505,16 5,18 1,21 1,22 16.699,23 2,25 8,27 0.36,28 1.15,29 120.458,30 0.417,31 12.15,32 0.984,33 4.727,34 33.326,36 0.252,37 4.503,38 4.503,39 1,40 6.677,41 6.677,42 1,43 17.207,44 3.269,45 17.799,46 3.692,48 24.885,49 0.221,50 16.096,51 4.143,52 12.701,53 5.135,54 23.027,56 21.177,57 26.75,58 1,59 1.58,61 1,62 1.062,63 2,64 2.618,65 18.443,66 28.62,67 21.406,68 4.407,69 1.72,70 23.804,71 5.398}
{0 CHEMBL1080902,4 16.457,7 92.09,8 70.14,12 2,13 7.709,14 7.709,16 7,18 2,21 1,22 21.943,23 2,25 9,27 0.403,28 1.326,29 114.672,30 0.392,31 12.25,32 0.957,33 4.727,34 33.326,36 0.312,37 4.503,38 4.503,39 2,40 6.677,41 6.677,42 1,43 17.265,44 3.413,45 17.799,46 3.698,48 24.937,49 0.53,50 16.16,51 4.248,52 12.8,53 5.131,54 23.086,56 21.244,57 26.795,58 1,59 1.588,61 1,62 1.121,63 2,64 2.837,65 22.542,66 28.659,67 21.435,68 4.559,69 1.72,70 23.828,71 5.398}
{0 CHEMBL1082152,4 18.321,6 1,7 107.35,8 136.382,11 0.4,13 10.637,14 10.637,16 5,20 -0.691,22 40.852,25 7,26 1.777,27 0.659,28 2.48,29 150.617,30 0.976,31 12.905,32 1.007,33 5.533,34 28.875,35 1,36 0.392,37 4.782,38 4.782,40 7.128,41 7.128,42 1,43 18.524,44 3.982,45 20.138,46 3.684,48 25.987,49 0.628,50 17.334,51 4.942,52 13.324,53 5.417,54 24.072,56 22.164,57 27.909,58 1,59 1.783,61 1,62 1.359,63 1,64 3.198,65 44.639,66 29.837,67 22.9,68 5.094,69 2.4,70 25.418,71 4.638}
{0 CHEMBL1082440,4 17.457,7 70.68,13 10.52,14 10.52,16 4,22 18.734,25 9,27 0.406,28 3.466,29 61.098,30 0.057,31 12.545,32 1.211,33 2.708,35 2,36 0.33,37 5.006,38 5.006,40 7.789,41 7.789,42 1,43 19.255,44 3.746,45 22.854,46 3.61,48 26.834,49 0.624,50 17.99,51 4.394,52 13.311,53 5.603,54 24.81,55 3,56 22.792,57 28.864,58 3,59 1.633,61 1,62 1.29,64 2.794,65 46.522,66 30.897,67 23.966,68 5.027,69 0.8,70 26.625,71 5.1}
{0 CHEMBL1086736,4 12.144,7 95.75,8 59.579,12 4,13 8.553,14 8.553,16 7,18 1,21 1,22 16.699,23 2,25 5,27 0.434,28 1.166,29 120.458,30 0.345,31 12.216,32 0.806,33 4.727,34 33.326,35 2,36 0.252,37 4.548,38 4.548,39 1,40 6.786,41 6.786,42 1,43 17.464,44 3.339,45 18.479,46 3.672,48 25.147,49 0.253,50 16.333,51 4.159,52 12.742,53 5.186,54 23.269,56 21.397,57 27.03,58 2,59 1.532,61 1,62 1.062,63 4,64 2.61,65 18.448,66 28.918,67 21.772,68 4.407,69 1.72,70 24.204,71 5.398}
{0 CHEMBL1087397,4 19.039,7 62.53,8 85.835,11 0.916,12 6,13 11.508,14 11.508,16 8,17 0.172,20 -0.632,22 33.153,25 11,27 0.744,28 2.852,29 103.474,30 0.497,31 12.961,32 0.872,33 4.727,34 2.757,35 1,36 0.901,37 4.687,38 4.687,40 7.118,41 7.118,43 18.676,44 4.158,45 19.249,46 3.849,48 26.25,49 0.826,50 17.509,51 5.011,52 13.499,53 5.287,54 24.338,55 1,56 22.432,57 28.169,59 1.869,62 1.498,64 3.254,65 135.763,66 30.092,67 22.873,68 5.255,69 5.335,70 25.33,71 5.699}
{0 CHEMBL1087421,4 14.977,7 21.59,12 1,13 8.823,14 8.823,16 4,18 1,20 0.888,22 32.699,25 7,27 0.243,28 2.194,29 145.231,30 0.298,31 12.376,32 0.633,36 0.194,37 4.543,38 4.543,39 1,40 6.724,41 6.724,43 17.577,44 3.475,45 18.186,46 3.617,48 25.216,49 0.32,50 16.454,51 4.443,52 12.859,53 5.2,54 23.36,56 21.51,57 27.077,58 1,59 1.435,62 0.891,64 3.077,65 15.53,66 28.943,67 21.722,68 4.677,69 1.72,70 24.134,71 5}
{0 CHEMBL1088633,4 14.411,7 21.59,12 2,13 8.737,14 8.737,16 4,18 1,20 0.943,22 29.198,25 7,27 0.145,28 2.052,29 106.083,30 0.215,31 12.299,32 0.676,36 0.133,37 4.537,38 4.537,39 1,40 6.721,41 6.721,43 17.479,44 3.392,45 18.172,46 3.599,48 25.11,49 0.349,50 16.352,51 4.369,52 12.752,53 5.196,54 23.248,56 21.392,57 26.977,58 1,59 1.435,61 1,62 0.927,64 2.893,65 13.515,66 28.849,67 21.672,68 4.543,69 1.72,70 24.089,71 5}
{0 CHEMBL1089082,4 11.975,7 72.18,8 72.371,12 8,13 11.033,14 11.033,16 10,20 -0.637,22 27.433,25 10,27 0.77,28 2.401,29 120.259,30 0.567,31 12.854,32 0.944,33 4.727,34 2.757,35 1,36 0.847,37 4.636,38 4.636,40 7.118,41 7.118,43 18.569,44 3.991,45 18.933,46 3.82,48 26.131,49 0.485,50 17.404,51 4.913,52 13.413,53 5.262,54 24.221,55 1,56 22.318,57 28.046,58 1,59 1.873,62 1.355,64 3.2,65 133.393,66 29.966,67 22.702,68 5.147,69 5.335,70 25.145,71 4.301}
{0 CHEMBL1090356,4 30.357,7 124.92,8 209.351,11 0.8,12 10,13 9.058,14 9.058,16 8,17 0.4,20 -0.07,22 76.724,24 1.559,25 7,27 0.26,28 3.962,29 86.501,30 0.443,31 13.075,32 1.05,33 5.416,34 28.198,35 3,36 0.348,37 4.738,38 4.738,39 1,40 7.021,41 7.021,43 18.249,44 4.428,45 19.437,46 3.875,47 1,48 25.77,49 0.918,50 17.097,51 5.198,52 13.448,53 5.412,54 23.892,55 2,56 22.023,57 27.659,58 1,59 1.94,62 1.62,63 1,64 3.126,65 29.446,66 29.555,67 22.559,68 5.198,69 3.497,70 25.041,71 5.3}
{0 CHEMBL1090360,4 30.357,7 124.92,8 204.642,11 0.8,12 9,13 9.189,14 9.189,16 8,17 0.4,20 -0.071,22 76.724,23 1,24 1.559,25 6,27 0.269,28 3.983,29 86.501,30 0.46,31 13.081,32 0.983,33 5.416,34 28.198,35 2,36 0.348,37 4.738,38 4.738,39 1,40 7.021,41 7.021,43 18.259,44 4.48,45 19.437,46 3.875,47 1,48 25.776,49 0.918,50 17.106,51 5.204,52 13.449,53 5.412,54 23.897,55 2,56 22.028,57 27.664,58 3,59 1.939,62 1.62,63 1,64 3.143,65 29.558,66 29.561,67 22.566,68 5.198,69 3.497,70 25.048,71 5.1}
{0 CHEMBL1092830,2 1,4 35.971,7 186.81,8 331.762,11 0.4,12 1,13 8.109,14 8.109,16 5,17 0.4,20 -0.863,22 62.262,23 3,24 1.194,25 1,27 0.991,28 2.006,29 163.338,30 0.943,31 12.591,32 0.925,33 5.687,34 23.087,35 3,36 1.172,37 4.585,38 4.585,40 7.259,41 7.259,43 18.464,44 3.762,45 19.881,46 3.877,48 25.929,49 0.484,50 17.272,51 4.477,52 13.177,53 5.421,54 23.992,55 2,56 22.067,57 27.876,58 2,59 1.748,62 1.531,63 3,64 2.914,65 152.973,66 29.83,67 22.641,68 4.977,69 5.335,70 25.153,71 6.143}
{0 CHEMBL1094135,1 1,4 23.726,6 1,7 107.95,8 47.487,10 1,11 0.4,12 4,13 9.339,14 9.339,15 5.461,16 5,18 1,19 1,20 -0.522,22 34.314,23 1,25 9,26 1.66,27 0.421,28 2.301,29 119.276,30 0.394,31 12.738,32 0.985,33 4.844,34 4.656,35 1,36 0.325,37 4.688,38 4.688,39 1,40 7.03,41 7.03,42 1,43 18.242,44 3.6,45 19.54,46 3.665,48 25.752,49 0.574,50 17.069,51 4.779,52 13.126,53 5.385,54 23.855,55 1,56 21.965,57 27.655,58 2,59 1.672,60 1,61 1,62 1.202,63 2,64 3.111,65 31.896,66 29.564,67 22.546,68 4.902,69 1.96,70 25.033,71 7.377}
{0 CHEMBL1094322,1 1,4 25.495,6 1,7 107.95,8 49.36,10 1,11 0.4,12 3,13 9.297,14 9.297,15 5.457,16 6,18 1,19 1,20 -0.518,22 34.314,23 1,25 9,26 1.664,27 0.399,28 2.281,29 119.276,30 0.396,31 12.712,32 0.999,33 4.844,34 4.656,35 2,36 0.325,37 4.688,38 4.688,39 1,40 7.03,41 7.03,42 1,43 18.19,44 3.548,45 19.54,46 3.668,48 25.669,49 0.575,50 17.014,51 4.779,52 13.101,53 5.385,54 23.771,55 1,56 21.881,57 27.576,58 2,59 1.677,60 1,61 1,62 1.167,63 2,64 2.917,65 32.006,66 29.489,67 22.493,68 4.902,69 1.96,70 24.988,71 6.592}
{0 CHEMBL1094400,1 1,3 1,4 24.344,6 1,7 98.72,8 50.815,10 1,12 4,13 9.309,14 9.309,15 5.621,16 6,19 1,20 -0.531,22 31.828,23 1,25 11,26 1.757,27 0.354,28 2.65,29 108.276,30 0.23,31 12.882,32 0.944,33 4.844,34 4.656,35 1,36 0.169,37 4.731,38 4.731,40 7.11,41 7.11,42 1,43 18.377,44 4.028,45 19.891,46 3.767,48 25.841,49 0.531,50 17.188,51 5.043,52 13.194,53 5.425,54 23.933,55 1,56 22.033,57 27.757,58 2,59 1.74,60 1,61 1,62 1.205,63 2,64 2.918,65 25.251,66 29.679,67 22.751,68 4.902,69 1.96,70 25.272,71 5}
{0 CHEMBL1094401,1 1,4 18.019,7 109.58,8 40.794,10 1,12 1,13 9.269,14 9.269,15 5.379,16 3,19 1,20 -0.501,22 29.071,23 2,25 6,27 0.377,28 1.899,29 108.276,30 0.178,31 12.536,32 0.933,33 4.727,34 4.656,35 1,36 0.199,37 4.609,38 4.609,40 6.872,41 6.872,42 1,43 17.855,44 3.339,45 18.957,46 3.661,48 25.41,49 0.262,50 16.703,51 4.625,52 12.929,53 5.313,54 23.528,55 1,56 21.652,57 27.298,58 1,59 1.567,60 1,61 1,62 1.113,63 1,64 2.821,65 25.433,66 29.192,67 22.091,68 4.677,69 1.96,70 24.542,71 6.606}
{0 CHEMBL1094402,1 1,3 1,4 24.344,6 1,7 98.72,8 50.815,10 1,12 4,13 9.309,14 9.309,15 5.673,16 6,19 1,20 -0.462,22 41.744,23 1,25 11,26 2.034,27 0.408,28 3.426,29 108.276,30 0.309,31 12.882,32 0.893,33 4.844,34 4.656,35 1,36 0.187,37 4.718,38 4.718,40 7.11,41 7.11,43 18.377,44 4.174,45 19.891,46 3.715,48 25.841,49 0.825,50 17.188,51 5.043,52 13.12,53 5.425,54 23.933,55 1,56 22.033,57 27.757,58 2,59 1.748,60 1,61 1,62 1.376,63 2,64 2.918,65 28.745,66 29.679,67 22.751,68 4.844,69 1.96,70 25.272,71 6.845}
{0 CHEMBL1094408,1 1,4 35.833,6 1,7 114.43,8 66.947,10 1,11 0.8,12 5,13 9.611,14 9.611,15 5.538,16 7,17 0.8,18 1,19 1,20 -0.52,22 45.494,23 2,25 10,26 1.679,27 0.464,28 3.341,29 119.276,30 0.541,31 12.964,32 1.044,33 4.844,34 4.656,35 1,36 0.423,37 4.688,38 4.688,39 1,40 7.03,41 7.03,42 1,43 18.355,44 4.055,45 19.54,46 3.692,48 25.878,49 0.761,50 17.192,51 5.063,52 13.278,53 5.386,54 23.992,55 1,56 22.114,57 27.772,58 4,59 1.803,60 1,61 1,62 1.525,63 2,64 3.22,65 35.84,66 29.671,67 22.623,68 5.075,69 1.96,70 25.098,71 8.155}
{0 CHEMBL1094477,1 1,4 21.775,6 1,7 98.72,8 44.984,10 1,12 4,13 9.312,14 9.312,15 5.46,16 4,19 1,20 -0.507,22 32.257,23 1,25 7,26 1.679,27 0.332,28 2.297,29 108.276,30 0.236,31 12.711,32 0.943,33 4.844,34 4.656,35 1,36 0.219,37 4.688,38 4.688,40 7.03,41 7.03,42 1,43 18.226,44 3.592,45 19.54,46 3.665,48 25.727,49 0.603,50 17.052,51 4.745,52 13.113,53 5.385,54 23.83,55 1,56 21.94,57 27.632,58 2,59 1.672,60 1,61 1,62 1.2,63 2,64 3.012,65 26.539,66 29.542,67 22.523,68 4.902,69 1.96,70 25.014,71 7.824}
{0 CHEMBL1094478,1 1,4 21.893,6 1,7 124.02,8 47.487,10 1,11 0.4,12 4,13 9.339,14 9.339,15 5.473,16 4,19 1,20 -0.508,22 62.841,23 1,25 7,26 1.681,27 0.317,28 2.629,29 108.276,30 0.323,31 12.738,32 0.954,33 4.844,34 4.656,35 1,36 0.24,37 4.688,38 4.688,40 7.03,41 7.03,42 1,43 18.242,44 3.675,45 19.54,46 3.683,48 25.752,49 0.648,50 17.069,51 4.779,52 13.126,53 5.385,54 23.855,55 1,56 21.965,57 27.655,58 2,59 1.67,60 1,61 1,62 1.202,63 2,64 3.267,65 26.628,66 29.564,67 22.546,68 4.902,69 5.9,70 25.033,71 7.013}
{0 CHEMBL1094484,1 1,4 24.446,6 1,7 125.02,8 52.621,10 1,11 0.4,12 7,13 9.975,14 9.975,15 5.458,16 6,19 1,20 -1.013,22 39.448,23 3,25 9,26 1.618,27 0.623,28 2.405,29 144.421,30 0.431,31 12.805,32 0.836,33 4.844,34 4.656,35 1,36 0.461,37 4.688,38 4.688,39 1,40 7.03,41 7.03,42 1,43 18.321,44 3.715,45 19.54,46 3.67,48 25.858,49 0.582,50 17.151,51 4.836,52 13.211,53 5.385,54 23.96,55 2,56 22.07,57 27.761,58 6,59 1.674,60 1,61 1,62 1.215,63 2,64 3.267,65 44.36,66 29.668,67 22.629,68 4.987,69 3.349,70 25.109,71 5.952}
{0 CHEMBL1094488,1 1,4 26.626,6 1,7 98.72,8 59.706,10 1,11 0.4,12 7,13 9.381,14 9.381,15 5.523,16 4,19 1,20 -0.512,22 37.977,23 1,25 7,26 1.688,27 0.305,28 2.98,29 108.276,30 0.243,31 12.86,32 0.925,33 4.844,34 4.656,35 1,36 0.191,37 4.688,38 4.688,40 7.03,41 7.03,43 18.27,44 4.017,45 19.54,46 3.761,48 25.779,49 0.655,50 17.102,51 4.934,52 13.24,53 5.385,54 23.886,55 1,56 22.002,57 27.678,58 2,59 1.803,60 1,61 1,62 1.352,63 2,64 3.14,65 26.778,66 29.584,67 22.562,68 4.997,69 1.96,70 25.047,71 6.025}
{0 CHEMBL1094735,1 1,4 24.344,6 1,7 98.72,8 46.763,10 1,12 3,13 9.302,14 9.302,15 5.543,16 6,19 1,20 -0.499,22 29.071,23 1,25 9,26 1.84,27 0.371,28 2.44,29 108.276,30 0.369,31 12.764,32 0.578,33 4.844,34 4.656,35 1,36 0.19,37 4.714,38 4.714,40 7.097,41 7.097,42 1,43 18.329,44 3.861,45 19.82,46 3.672,48 25.792,49 0.509,50 17.139,51 4.875,52 13.089,53 5.417,54 23.883,55 1,56 21.983,57 27.708,58 2,59 1.72,60 1,61 1,62 1.239,63 2,64 2.887,65 28.209,66 29.63,67 22.687,68 4.844,69 1.96,70 25.205,71 6.367}
{0 CHEMBL1094810,1 1,4 24.091,6 1,7 144.54,8 49.99,10 1,11 0.4,12 8,13 9.821,14 9.821,15 5.424,16 5,19 1,20 -0.581,22 31.828,23 3,25 11,26 1.579,27 0.662,28 2.297,29 159.023,30 0.467,31 12.783,32 0.963,33 4.844,34 4.656,35 1,36 0.426,37 4.688,38 4.688,40 7.03,41 7.03,42 1,43 18.306,44 3.554,45 19.54,46 3.679,48 25.839,49 0.474,50 17.135,51 4.812,52 13.245,53 5.385,54 23.942,55 2,56 22.052,57 27.742,58 6,59 1.695,60 1,61 1,62 1.201,63 2,64 3.267,65 60.964,66 29.65,67 22.609,68 5.066,69 4.612,70 25.09,71 6.312}
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{0 CHEMBL1094815,1 2,3 1,4 24.006,6 1,7 141.81,8 49.99,10 1,11 0.4,12 5,13 9.821,14 9.821,15 10.863,16 5,19 3,20 -1.103,22 36.961,23 2,25 8,26 1.613,27 0.496,28 2.336,29 166.318,30 0.395,31 12.783,32 1.006,33 4.844,34 4.656,35 1,36 0.317,37 4.688,38 4.688,40 7.03,41 7.03,42 1,43 18.306,44 3.623,45 19.54,46 3.669,48 25.839,49 0.474,50 17.135,51 4.812,52 13.2,53 5.385,54 23.942,55 1,56 22.052,57 27.742,58 4,59 1.673,60 2,61 1,62 1.201,63 2,64 3.267,65 42.312,66 29.65,67 22.609,68 4.987,69 1.96,70 25.09,71 5.683}
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{0 CHEMBL1094820,1 1,4 28.624,6 1,7 110.75,8 59.706,10 1,11 0.4,12 5,13 9.381,14 9.381,15 5.516,16 4,19 1,20 -0.52,22 34.584,23 1,25 7,26 1.676,27 0.371,28 2.789,29 108.276,30 0.296,31 12.86,32 0.927,33 4.844,34 4.656,35 3,36 0.208,37 4.688,38 4.688,40 7.03,41 7.03,42 1,43 18.27,44 3.987,45 19.54,46 3.76,48 25.779,49 0.654,50 17.102,51 4.934,52 13.24,53 5.385,54 23.886,55 1,56 22.002,57 27.678,58 2,59 1.803,60 1,61 1,62 1.276,63 2,64 3.068,65 27.324,66 29.584,67 22.562,68 4.997,69 1.96,70 25.047,71 6.023}
{0 CHEMBL1094821,1 1,4 22.473,6 1,7 115.79,8 62.209,10 1,12 8,13 10.476,14 10.476,15 5.504,16 6,19 1,20 -0.641,22 40.576,23 2,25 10,26 1.636,27 0.459,28 2.878,29 133.421,30 0.335,31 12.933,32 0.912,33 4.844,34 4.656,35 1,36 0.23,37 4.688,38 4.688,40 7.03,41 7.03,42 1,43 18.413,44 4.006,45 19.54,46 3.762,48 25.965,49 0.654,50 17.245,51 4.977,52 13.339,53 5.385,54 24.068,55 1,56 22.179,57 27.866,58 4,59 1.803,60 1,61 1,62 1.323,63 2,64 3.267,65 29.927,66 29.773,67 22.716,68 5.075,69 1.96,70 25.195,71 5.706}
{0 CHEMBL1094822,1 1,4 23.058,6 1,7 124.02,8 59.706,10 1,11 0.4,12 6,13 9.381,14 9.381,15 5.521,16 4,19 1,20 -0.514,22 64.392,23 1,25 7,26 1.684,27 0.318,28 3.456,29 108.276,30 0.285,31 12.86,32 0.892,33 4.844,34 4.656,35 1,36 0.204,37 4.688,38 4.688,40 7.03,41 7.03,43 18.27,44 4.018,45 19.54,46 3.765,48 25.779,49 0.654,50 17.102,51 4.934,52 13.24,53 5.435,54 23.886,55 1,56 22.002,57 27.678,58 2,59 1.803,60 1,62 1.203,63 2,64 3.273,65 26.667,66 29.584,67 22.562,68 4.997,69 5.9,70 25.047,71 5.692}
{0 CHEMBL1095132,1 1,4 26.135,6 1,7 144.54,8 52.779,10 1,11 0.4,12 3,13 9.298,14 9.298,15 5.429,16 6,19 1,20 -0.561,22 31.828,23 1,25 13,26 1.607,27 0.631,28 2.281,29 159.023,30 0.507,31 12.749,32 0.911,33 4.844,34 4.656,35 2,36 0.426,37 4.688,38 4.688,40 7.03,41 7.03,42 1,43 18.224,44 3.53,45 19.54,46 3.692,48 25.726,49 0.474,50 17.052,51 4.812,52 13.22,53 5.385,54 23.832,55 2,56 21.947,57 27.627,58 2,59 1.732,60 1,61 1,62 1.144,63 2,64 3.267,65 61.487,66 29.535,67 22.513,68 5.066,69 4.612,70 25.004,71 5}
{0 CHEMBL1095448,1 1,4 25.495,6 1,7 107.95,8 48.368,10 1,11 0.4,12 4,13 9.298,14 9.298,15 5.459,16 6,18 1,19 1,20 -0.519,22 34.314,23 2,25 8,26 1.662,27 0.418,28 2.295,29 119.276,30 0.335,31 12.718,32 0.852,33 4.844,34 4.656,35 1,36 0.325,37 4.688,38 4.688,39 1,40 7.03,41 7.03,42 1,43 18.196,44 3.583,45 19.54,46 3.667,48 25.674,49 0.574,50 17.02,51 4.779,52 13.102,53 5.385,54 23.775,55 1,56 21.886,57 27.58,58 4,59 1.675,60 1,61 1,62 1.195,63 2,64 2.955,65 32.021,66 29.493,67 22.497,68 4.902,69 1.96,70 24.992,71 6.87}
{0 CHEMBL1095457,1 1,4 25.462,6 1,7 110.75,8 47.487,10 1,11 0.4,12 3,13 9.339,14 9.339,15 5.468,16 4,19 1,20 -0.513,22 31.828,23 1,25 7,26 1.672,27 0.353,28 2.338,29 108.276,30 0.334,31 12.738,32 1.011,33 4.844,34 4.656,35 3,36 0.26,37 4.688,38 4.688,40 7.03,41 7.03,42 1,43 18.242,44 3.631,45 19.54,46 3.666,48 25.752,49 0.651,50 17.069,51 4.779,52 13.126,53 5.385,54 23.855,55 1,56 21.965,57 27.655,58 2,59 1.674,60 1,61 1,62 1.202,63 2,64 3.024,65 28.528,66 29.564,67 22.546,68 4.902,69 1.96,70 25.033,71 6.959}
{0 CHEMBL1095709,1 1,4 23.358,6 1,7 98.72,8 51.519,10 1,11 0.4,12 3,13 10.112,14 10.112,15 5.326,16 4,19 1,20 -0.864,22 31.177,23 1,25 7,26 0.757,27 0.777,28 2.338,29 153.157,30 1.395,31 12.814,32 0.918,33 4.844,34 4.656,35 1,36 0.934,37 4.705,38 4.705,40 7.061,41 7.061,42 1,43 18.531,44 3.667,45 19.699,46 3.68,48 25.899,49 0.485,50 17.352,51 4.934,52 13.205,53 5.408,54 24,55 1,56 22.108,57 27.805,58 2,59 1.709,60 1,61 1,62 1.204,63 2,64 3.269,65 156.581,66 29.715,67 22.749,68 4.977,69 4.53,70 25.237,71 8.222}
{0 CHEMBL1095716,1 1,4 35.716,6 1,7 122.27,8 69.45,10 1,11 0.8,12 8,13 10.029,14 10.029,15 5.533,16 8,17 0.8,19 1,20 -0.579,22 48.57,23 3,25 9,26 1.652,27 0.473,28 3.425,29 133.421,30 0.44,31 13.003,32 1.086,33 4.844,34 4.656,35 1,36 0.362,37 4.688,38 4.688,40 7.03,41 7.03,43 18.415,44 4.139,45 19.54,46 3.693,48 25.956,49 0.761,50 17.253,51 5.1,52 13.342,53 5.386,54 24.069,55 1,56 22.189,57 27.85,58 7,59 1.803,60 1,62 1.526,63 2,64 3.267,65 33.617,66 29.749,67 22.683,68 5.147,69 2.555,70 25.154,71 6.963}
{0 CHEMBL1095717,1 1,4 35.833,6 1,7 114.43,8 69.847,10 1,11 0.8,12 4,13 9.594,14 9.594,15 5.528,16 7,17 0.8,18 1,19 1,20 -0.52,22 45.494,23 1,25 9,26 1.676,27 0.479,28 3.356,29 119.276,30 0.559,31 12.961,32 1.035,33 4.844,34 4.656,35 2,36 0.423,37 4.688,38 4.688,39 1,40 7.03,41 7.03,42 1,43 18.354,44 4.037,45 19.54,46 3.695,48 25.878,49 0.761,50 17.191,51 5.05,52 13.278,53 5.385,54 23.992,55 1,56 22.114,57 27.771,58 2,59 1.803,60 1,61 1,62 1.524,63 3,64 3.225,65 35.84,66 29.671,67 22.622,68 5.075,69 1.96,70 25.097,71 7.398}
{0 CHEMBL1095771,1 1,4 21.138,6 1,7 98.72,8 44.984,10 1,12 3,13 9.312,14 9.312,15 5.418,16 4,19 1,20 -0.556,22 38.192,23 1,25 7,26 1.604,27 0.522,28 2.198,29 123.236,30 0.406,31 12.711,32 0.976,33 4.844,34 19.616,35 1,36 0.293,37 4.688,38 4.688,40 7.03,41 7.03,42 1,43 18.226,44 3.479,45 19.54,46 3.665,48 25.727,49 0.474,50 17.052,51 4.745,52 13.113,53 5.385,54 23.83,55 1,56 21.94,57 27.632,58 2,59 1.67,60 1,61 1,62 1.079,63 2,64 3.159,65 31.163,66 29.542,67 22.523,68 4.902,69 1.96,70 25.014,71 6.903}
{0 CHEMBL1095772,1 1,4 24.201,6 1,7 98.72,8 49.99,10 1,12 6,13 9.821,14 9.821,15 5.488,16 4,19 1,20 -0.506,22 32.257,23 1,25 7,26 1.687,27 0.295,28 2.509,29 108.276,30 0.329,31 12.783,32 1.038,33 4.844,34 4.656,35 1,36 0.208,37 4.688,38 4.688,40 7.03,41 7.03,42 1,43 18.306,44 3.75,45 19.54,46 3.67,48 25.839,49 0.654,50 17.135,51 4.812,52 13.167,53 5.385,54 23.942,55 1,56 22.052,57 27.742,58 2,59 1.713,60 1,61 1,62 1.239,63 2,64 3.182,65 28.222,66 29.65,67 22.609,68 4.945,69 1.96,70 25.09,71 6.438}
{0 CHEMBL1096028,1 1,4 35.716,6 1,7 122.27,8 72.35,10 1,11 0.8,12 6,13 10.07,14 10.07,15 5.523,16 8,17 0.8,19 1,20 -0.573,22 48.57,23 2,25 10,26 1.649,27 0.459,28 3.464,29 133.421,30 0.493,31 13.002,32 0.976,33 4.844,34 4.656,35 2,36 0.362,37 4.688,38 4.688,40 7.03,41 7.03,43 18.417,44 4.121,45 19.54,46 3.696,48 25.957,49 0.761,50 17.255,51 5.088,52 13.342,53 5.386,54 24.07,55 1,56 22.19,57 27.851,58 4,59 1.803,60 1,62 1.528,63 2,64 3.267,65 33.617,66 29.751,67 22.686,68 5.147,69 2.555,70 25.157,71 6.333}
{0 CHEMBL1096095,1 1,4 25.883,6 1,7 107.95,8 59.706,10 1,11 0.4,12 6,13 9.381,14 9.381,15 5.509,16 7,18 1,19 1,20 -0.528,22 39.558,23 1,25 11,26 1.663,27 0.449,28 2.705,29 119.276,30 0.358,31 12.86,32 0.913,33 4.844,34 4.656,35 1,36 0.236,37 4.688,38 4.688,39 1,40 7.03,41 7.03,42 1,43 18.27,44 3.965,45 19.54,46 3.759,48 25.779,49 0.654,50 17.102,51 4.934,52 13.24,53 5.391,54 23.886,55 1,56 22.002,57 27.678,58 2,59 1.803,60 1,61 1,62 1.208,63 2,64 3.199,65 28.52,66 29.584,67 22.562,68 4.997,69 1.96,70 25.047,71 6.556}
{0 CHEMBL1097022,1 1,3 2,4 22.3,6 1,7 124.74,8 44.984,9 2,10 1,12 3,13 9.312,14 9.312,15 11.406,16 4,19 2,20 -0.523,22 31.828,23 1,25 7,26 1.654,27 0.391,28 2.229,29 141.173,30 0.287,31 12.711,32 0.962,33 4.844,34 4.656,35 3,36 0.236,37 4.688,38 4.688,40 7.03,41 7.03,42 1,43 18.226,44 3.546,45 19.54,46 3.664,48 25.727,49 0.474,50 17.052,51 4.745,52 13.113,53 5.385,54 23.83,55 1,56 21.94,57 27.632,58 2,59 1.671,60 3,61 1,62 1.197,63 2,64 2.984,65 27.595,66 29.542,67 22.523,68 4.902,69 1.96,70 25.014,71 6.824}
{0 CHEMBL1097071,1 1,4 23.805,6 1,7 98.72,8 52.492,10 1,11 0.4,12 3,13 12.04,14 12.04,15 5.394,16 4,19 1,20 -0.633,22 32.257,23 1,25 7,26 1.508,27 0.936,28 2.354,29 153.157,30 0.628,31 12.86,32 1.087,33 4.844,34 4.656,35 1,36 0.948,37 4.689,38 4.689,40 7.248,41 7.248,42 1,43 18.903,44 3.582,45 19.765,46 3.672,48 26.402,49 0.474,50 17.703,51 4.844,52 13.328,53 5.386,54 24.46,55 1,56 22.525,57 28.349,58 2,59 1.672,60 1,61 1,62 1.2,63 2,64 3.267,65 154.33,66 30.299,67 23.204,68 5.066,69 5.335,70 25.715,71 6.365}
{0 CHEMBL1097373,1 1,4 25.977,6 1,7 127.82,8 52.75,10 1,11 0.4,12 4,13 9.365,14 9.365,15 5.465,16 5,17 0.149,19 1,20 -0.712,22 36.532,23 1,25 7,26 1.634,27 0.431,28 2.431,29 133.421,30 0.485,31 12.78,32 0.861,33 4.844,34 4.656,35 4,36 0.318,37 4.688,38 4.688,40 7.03,41 7.03,42 1,43 18.256,44 3.734,45 19.54,46 3.669,48 25.762,49 0.654,50 17.084,51 4.828,52 13.176,53 5.385,54 23.866,55 1,56 21.978,57 27.664,58 2,59 1.706,60 1,61 1,62 1.207,63 2,64 3.268,65 34.433,66 29.572,67 22.554,68 4.987,69 3.306,70 25.041,71 5.598}
{0 CHEMBL1097374,1 1,4 35.716,6 1,7 122.27,8 69.45,10 1,11 0.8,12 7,13 11.356,14 11.356,15 5.533,16 8,17 0.8,19 1,20 -0.561,22 48.57,23 3,25 8,26 1.652,27 0.502,28 3.556,29 133.421,30 0.618,31 13.038,32 0.926,33 4.844,34 4.656,35 1,36 0.362,37 4.688,38 4.688,40 7.03,41 7.03,43 18.556,44 4.176,45 19.541,46 3.691,48 26.116,49 0.761,50 17.385,51 5.088,52 13.365,53 5.386,54 24.213,55 1,56 22.317,57 28.026,58 6,59 1.803,60 1,62 1.525,63 3,64 3.267,65 33.915,66 29.94,67 22.92,68 5.147,69 2.555,70 25.404,71 5.688}
{0 CHEMBL1097424,1 1,4 25.636,6 1,7 98.72,8 54.237,10 1,11 0.4,12 3,13 11.69,14 11.69,15 5.401,16 4,19 1,20 -0.614,22 32.257,23 1,25 7,26 1.536,27 0.92,28 2.347,29 153.157,30 0.825,31 12.825,32 1.018,33 4.844,34 4.656,35 1,36 0.948,37 4.688,38 4.688,40 7.116,41 7.116,42 1,43 18.781,44 3.555,45 19.54,46 3.678,48 26.278,49 0.475,50 17.592,51 4.828,52 13.304,53 5.385,54 24.349,55 1,56 22.425,57 28.212,58 2,59 1.678,60 1,61 1,62 1.187,63 2,64 3.267,65 154.827,66 30.151,67 23.013,68 5.066,69 5.335,70 25.502,71 7.292}
{0 CHEMBL1097429,1 1,4 25.636,6 1,7 98.72,8 56.198,10 1,11 0.4,12 3,13 11.657,14 11.657,15 5.406,16 4,19 1,20 -0.6,22 32.257,23 1,25 7,26 1.558,27 0.921,28 2.324,29 153.157,30 0.697,31 12.817,32 0.559,33 4.844,34 4.656,35 1,36 0.948,37 4.688,38 4.688,40 7.111,41 7.111,42 1,43 18.769,44 3.545,45 19.54,46 3.68,48 26.273,49 0.476,50 17.581,51 4.844,52 13.303,53 5.385,54 24.344,55 1,56 22.421,57 28.207,58 2,59 1.681,60 1,61 1,62 1.134,63 2,64 3.267,65 154.716,66 30.145,67 23.003,68 5.066,69 5.335,70 25.49,71 6.059}
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{0 CHEMBL116070,1 1,3 2,4 10.938,7 93.45,8 39.057,12 2,13 8.024,14 8.024,15 5.302,16 3,18 1,19 1,20 -0.444,22 54.201,24 1.308,25 7,27 0.276,28 2.012,29 85.828,30 0.238,31 12.216,32 1.154,33 4.727,34 2.104,36 0.166,37 4.586,38 4.586,39 1,40 6.585,41 6.585,42 1,43 17.263,44 3.296,45 17.43,46 3.748,48 24.813,49 0.165,50 16.151,51 4.263,52 12.803,53 5.209,54 22.974,56 21.143,57 26.657,58 2,59 1.232,60 2,61 1,62 0.901,64 2.914,65 20.072,66 28.508,67 21.27,68 4.677,69 1.96,70 23.648,71 5.1}
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{0 CHEMBL1190711,1 1,3 2,4 19.544,7 116.66,8 64.597,10 1,11 0.86,12 3,13 9.731,14 9.731,15 5.457,16 9,17 0.4,18 2,19 1,20 -0.585,22 30.262,23 3,25 8,27 0.535,28 1.898,29 130.398,30 0.516,31 12.679,32 1.103,33 4.595,34 14.099,36 0.453,37 4.586,38 4.586,39 2,40 6.596,41 6.596,42 1,43 17.756,44 3.949,45 17.58,46 3.831,47 1,48 25.438,49 0.574,50 16.649,51 4.771,52 13.192,53 5.175,54 23.593,55 2,56 21.751,57 27.287,58 4,59 1.59,60 1,61 1,62 1.484,63 4,64 3.136,65 35.584,66 29.138,67 21.848,68 4.997,69 1.96,70 24.206,71 5.1}
{0 CHEMBL119385,4 19.118,7 72.56,11 0.618,12 1,13 9.257,14 9.257,16 6,20 0.593,22 73.968,25 7,27 0.817,28 2.785,29 166.811,30 0.581,31 12.72,32 0.849,34 29.92,36 0.385,37 4.659,38 4.659,40 7.045,41 7.045,43 18.121,44 3.576,45 19.503,46 3.802,48 25.753,49 0.188,50 16.965,51 4.727,52 13.182,53 5.404,54 23.855,55 2,56 21.966,57 27.659,59 1.522,62 0.989,63 1,64 3.398,65 37.279,66 29.57,67 22.546,68 4.913,69 6.74,70 25.039,71 5.05}
{0 CHEMBL1200485,4 27.261,7 92.35,11 1.058,12 4,13 8.764,14 8.764,16 6,17 0.86,18 1,20 -1.095,22 34.424,25 3,27 1.323,28 1.759,29 162.104,30 1.184,31 12.488,32 0.873,34 4.276,35 2,36 1.055,37 4.547,38 4.547,39 1,40 7.24,41 7.24,42 1,43 18.393,44 3.684,45 19.593,46 3.792,48 25.933,49 0.329,50 17.21,51 4.394,52 13.137,53 5.319,54 24.001,56 22.08,57 27.875,59 1.68,62 1.199,63 1,64 3.555,65 147.525,66 29.823,67 22.573,68 4.966,69 5.335,70 25.07,71 5}
{0 CHEMBL1208833,1 1,2 1,3 4,4 21.987,5 1,6 1,7 111.27,8 186.37,9 1,10 1,11 0.98,12 6,13 11.067,14 11.067,15 5.575,16 10,18 1,19 1,20 -0.746,21 1,22 63.616,23 1,24 1.065,25 9,26 1.761,27 0.872,28 3.402,29 186.642,30 0.81,31 13.044,32 1.204,33 5.416,34 45.723,35 1,36 0.99,37 4.645,38 4.645,39 1,40 7.279,41 7.279,43 18.875,44 4.137,45 20.104,46 3.924,47 1,48 26.419,49 0.702,50 17.694,51 5.037,52 13.565,53 5.456,54 24.495,55 1,56 22.579,57 28.348,58 1,59 1.746,60 1,62 1.44,63 2,64 3.264,65 153.2,66 30.283,67 23.112,68 5.323,69 5.335,70 25.599,71 8.398}
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{0 CHEMBL1208835,1 1,2 1,3 4,4 23.548,5 2,6 1,7 137.29,8 186.37,9 1,10 1,11 0.98,12 6,13 11.067,14 11.067,15 11.371,16 9,18 1,19 3,20 -0.746,21 1,22 62.872,23 1,24 1.066,25 9,26 1.762,27 0.805,28 3.308,29 180.391,30 0.762,31 13.044,32 1.178,33 5.416,34 5.83,35 1,36 0.953,37 4.645,38 4.645,39 1,40 7.279,41 7.279,43 18.875,44 4.151,45 20.104,46 3.917,47 1,48 26.419,49 0.703,50 17.694,51 5.037,52 13.565,53 5.456,54 24.495,55 1,56 22.579,57 28.348,58 1,59 1.748,60 2,62 1.44,63 2,64 3.264,65 152.549,66 30.283,67 23.112,68 5.323,69 5.335,70 25.599,71 9}
{0 CHEMBL1208892,1 1,2 1,3 4,4 23.548,5 2,6 1,7 150.18,8 186.37,9 1,10 1,11 0.98,12 5,13 11.067,14 11.067,15 11.253,16 10,18 1,19 3,20 -0.754,21 1,22 62.015,23 1,24 1.054,25 10,26 1.742,27 0.87,28 3.225,29 197.176,30 0.819,31 13.044,32 1.208,33 5.416,34 5.402,35 1,36 1.006,37 4.645,38 4.645,39 1,40 7.279,41 7.279,43 18.875,44 4.133,45 20.104,46 3.916,47 1,48 26.419,49 0.675,50 17.694,51 5.037,52 13.565,53 5.456,54 24.495,55 2,56 22.579,57 28.348,58 2,59 1.748,60 1,62 1.44,63 2,64 3.264,65 156.546,66 30.283,67 23.112,68 5.323,69 5.335,70 25.599,71 9}
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{0 CHEMBL1209603,1 1,2 1,3 4,4 20.386,5 1,6 1,7 98.38,8 180.412,9 1,10 1,11 0.98,12 6,13 11.066,14 11.066,15 5.578,16 7,18 1,19 1,20 -0.728,21 1,22 60.544,23 1,24 1.089,25 8,26 1.794,27 0.712,28 3.33,29 130.708,30 0.637,31 13.012,32 1.205,33 5.416,34 3.503,35 1,36 0.881,37 4.645,38 4.645,39 1,40 7.279,41 7.279,43 18.864,44 4.138,45 20.104,46 3.917,47 1,48 26.411,49 0.725,50 17.682,51 5.004,52 13.528,53 5.456,54 24.486,55 1,56 22.568,57 28.342,58 1,59 1.748,60 1,62 1.44,63 2,64 3.264,65 144.456,66 30.278,67 23.107,68 5.255,69 5.335,70 25.595,71 8.222}
{0 CHEMBL1209604,1 1,2 1,3 4,4 20.386,5 1,6 1,7 98.38,8 179.515,9 1,10 1,11 0.98,12 8,13 11.097,14 11.097,15 5.594,16 7,18 1,19 1,20 -0.73,21 1,22 60.544,23 1,24 1.09,25 8,26 1.806,27 0.712,28 3.339,29 130.708,30 0.641,31 13.016,32 1.186,33 5.416,34 3.503,35 1,36 0.881,37 4.649,38 4.649,39 1,40 7.279,41 7.279,43 18.867,44 4.228,45 20.104,46 3.916,47 1,48 26.412,49 0.729,50 17.684,51 5.017,52 13.528,53 5.456,54 24.487,55 1,56 22.568,57 28.343,58 1,59 1.751,60 1,62 1.44,63 2,64 3.265,65 144.456,66 30.279,67 23.111,68 5.255,69 5.335,70 25.599,71 7.745}
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{0 CHEMBL1209606,1 1,2 1,3 4,4 20.386,5 1,6 1,7 111.27,8 179.515,9 1,10 1,11 0.98,12 10,13 11.097,14 11.097,15 5.588,16 9,18 1,19 1,20 -0.737,21 1,22 60.544,23 1,24 1.08,25 9,26 1.79,27 0.762,28 3.258,29 147.493,30 0.706,31 13.016,32 1.195,33 5.416,34 3.503,35 1,36 0.928,37 4.649,38 4.649,39 1,40 7.279,41 7.279,43 18.867,44 4.202,45 20.104,46 3.916,47 1,48 26.412,49 0.718,50 17.684,51 5.017,52 13.528,53 5.456,54 24.487,55 1,56 22.568,57 28.343,58 1,59 1.751,60 1,62 1.44,63 2,64 3.265,65 148.533,66 30.279,67 23.111,68 5.255,69 5.335,70 25.599,71 8.699}
{0 CHEMBL1209674,1 1,2 1,3 5,4 17.755,5 1,6 1,7 111.27,8 164.042,9 1,10 1,12 5,13 10.044,14 10.044,15 5.658,16 9,18 1,19 1,20 -0.544,21 1,22 60.859,23 1,24 1.264,25 8,26 1.926,27 0.503,28 3.116,29 141.762,30 0.476,31 12.881,32 1.031,33 5.416,34 3.503,35 1,36 0.22,37 4.644,38 4.644,39 1,40 6.751,41 6.751,43 18.101,44 4.094,45 18.355,46 4.008,47 1,48 25.729,49 0.704,50 16.975,51 4.942,52 13.356,53 5.324,54 23.867,55 1,56 22.009,57 27.595,58 1,59 1.741,60 1,62 1.327,63 2,64 3.232,65 28.107,66 29.463,67 22.229,68 5.121,69 2.302,70 24.622,71 9}
{0 CHEMBL1209675,1 1,2 1,3 5,4 17.755,5 1,6 1,7 111.27,8 163.145,9 1,10 1,12 9,13 10.052,14 10.052,15 5.673,16 9,18 1,19 1,20 -0.547,21 1,22 60.859,23 1,24 1.264,25 8,26 1.935,27 0.503,28 3.126,29 141.762,30 0.478,31 12.885,32 1.107,33 5.416,34 3.503,35 1,36 0.22,37 4.648,38 4.648,39 1,40 6.758,41 6.758,43 18.108,44 4.187,45 18.363,46 4.008,47 1,48 25.731,49 0.717,50 16.981,51 4.956,52 13.356,53 5.329,54 23.868,55 1,56 22.01,57 27.597,58 1,59 1.745,60 1,62 1.322,63 2,64 3.237,65 28.107,66 29.466,67 22.238,68 5.121,69 2.302,70 24.633,71 8.699}
{0 CHEMBL1209676,1 1,2 1,3 4,4 20.386,5 1,6 1,7 111.27,8 180.412,9 1,10 1,11 0.98,12 8,13 11.066,14 11.066,15 5.572,16 9,18 1,19 1,20 -0.735,21 1,22 60.544,23 1,24 1.079,25 10,26 1.778,27 0.779,28 3.25,29 147.493,30 0.691,31 13.012,32 1.199,33 5.416,34 3.503,35 1,36 0.928,37 4.645,38 4.645,39 1,40 7.279,41 7.279,43 18.864,44 4.116,45 20.104,46 3.916,47 1,48 26.411,49 0.711,50 17.682,51 5.004,52 13.528,53 5.456,54 24.486,55 1,56 22.568,57 28.342,58 2,59 1.747,60 1,62 1.44,63 2,64 3.264,65 148.811,66 30.278,67 23.107,68 5.255,69 5.335,70 25.595,71 9}
{0 CHEMBL1209677,1 1,2 1,3 4,4 20.386,5 1,6 1,7 111.27,8 179.515,9 1,10 1,11 0.98,12 7,13 11.097,14 11.097,15 5.587,16 9,18 1,19 1,20 -0.738,21 1,22 60.544,23 1,24 1.078,25 10,26 1.785,27 0.779,28 3.259,29 147.493,30 0.699,31 13.016,32 1.204,33 5.416,34 3.503,35 1,36 0.928,37 4.649,38 4.649,39 1,40 7.279,41 7.279,43 18.867,44 4.202,45 20.104,46 3.916,47 1,48 26.412,49 0.721,50 17.684,51 5.017,52 13.528,53 5.456,54 24.487,55 1,56 22.568,57 28.343,58 2,59 1.751,60 1,62 1.44,63 2,64 3.265,65 148.811,66 30.279,67 23.111,68 5.255,69 5.335,70 25.599,71 8.699}
{0 CHEMBL1209756,1 1,2 1,3 4,4 20.386,5 1,6 1,7 111.27,8 180.412,9 1,10 1,11 0.98,12 5,13 11.066,14 11.066,15 5.571,16 10,18 1,19 1,20 -0.737,21 1,22 60.115,23 1,24 1.077,25 11,26 1.774,27 0.786,28 3.242,29 147.493,30 0.694,31 13.012,32 1.232,33 5.416,34 3.503,35 1,36 0.923,37 4.645,38 4.645,39 1,40 7.279,41 7.279,43 18.864,44 4.12,45 20.104,46 3.916,47 1,48 26.411,49 0.722,50 17.682,51 5.004,52 13.528,53 5.456,54 24.486,55 1,56 22.568,57 28.342,58 2,59 1.748,60 1,62 1.44,63 2,64 3.264,65 147.617,66 30.278,67 23.107,68 5.255,69 5.335,70 25.595,71 8.222}
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{0 CHEMBL1209841,1 1,2 1,3 4,4 23.548,5 1,6 2,7 116.2,8 281.476,9 1,10 1,11 0.98,12 10,13 11.067,14 11.067,15 5.572,16 9,18 1,19 1,20 -0.735,21 1,22 60.544,23 1,24 1.079,25 10,26 3.491,27 0.808,28 3.217,29 147.371,30 0.744,31 13.043,32 1.186,33 5.778,34 15.274,35 1,36 0.994,37 4.646,38 4.646,39 1,40 7.279,41 7.279,43 18.881,44 4.128,45 20.104,46 3.917,47 1,48 26.42,49 0.731,50 17.7,51 5.017,52 13.565,53 5.456,54 24.496,55 1,56 22.58,57 28.35,58 3,59 1.756,60 1,62 1.476,63 2,64 3.264,65 150.124,66 30.285,67 23.113,68 5.323,69 5.335,70 25.601,71 9}
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{0 CHEMBL1236107,4 6.656,6 1,7 99.09,8 115.387,12 5,13 9.236,14 9.236,16 11,22 46.838,25 10,26 1.756,27 0.225,28 2.526,29 83.438,30 0.321,31 12.623,32 0.967,33 5.352,34 11.771,36 0.186,37 4.578,38 4.578,40 6.574,41 6.574,42 1,43 17.577,44 3.532,45 17.234,46 3.851,48 25.174,49 0.568,50 16.479,51 4.71,52 13.175,53 5.224,54 23.339,55 2,56 21.509,57 27.013,59 1.568,61 1,62 1.141,63 2,64 2.928,65 10.517,66 28.856,67 21.589,68 5.007,69 5.9,70 23.938,71 5}
{0 CHEMBL1236126,4 24.987,6 1,7 139.27,8 76.913,11 1.058,12 6,13 11.118,14 11.118,16 10,17 0.286,20 -0.954,22 33.909,23 1,25 18,26 1.718,27 1.347,28 2.027,29 171.506,30 0.759,31 12.694,32 0.953,33 4.844,34 2.144,35 1,36 0.582,37 4.646,38 4.646,39 1,40 7.058,41 7.058,42 1,43 18.506,44 4.061,45 18.499,46 3.691,47 1,48 26.047,49 0.611,50 17.343,51 4.71,52 13.353,53 5.362,54 24.141,55 3,56 22.241,57 27.958,58 3,59 1.853,61 1,62 1.349,63 3,64 3.579,65 81.66,66 29.874,67 22.556,68 5.198,69 4.612,70 24.985,71 5.1}
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{0 CHEMBL1241473,1 1,4 34.859,5 1,7 166.44,11 0.86,13 10.114,14 10.114,15 5.385,16 3,17 0.86,18 3,19 2,20 -0.694,22 36.118,23 6,25 3,27 1.037,28 1.848,29 175.36,30 0.992,31 12.623,32 0.757,34 4.227,35 2,36 0.743,37 4.457,38 4.457,39 3,40 6.524,41 6.524,42 1,43 17.699,44 3.925,45 17.186,46 3.828,48 25.442,49 0.575,50 16.602,51 4.644,52 13.193,53 5.11,54 23.596,55 2,56 21.755,57 27.292,58 5,59 1.647,60 1,61 1,62 1.512,63 5,64 3.375,65 77.135,66 29.145,67 21.826,68 5.066,69 4.612,70 24.181,71 7.911}
{0 CHEMBL1241674,3 1,4 11.643,6 1,7 105.64,8 79.825,10 3,13 9.716,14 9.716,15 6.068,16 6,22 16.847,23 4,25 3,26 1.839,27 0.4,28 1.9,29 125.815,30 0.372,31 12.746,32 0.823,33 5.476,34 7.229,35 2,36 0.171,37 4.771,38 4.771,40 7.042,41 7.042,42 1,43 18.306,44 3.616,45 19.606,46 3.445,48 25.762,49 0.469,50 17.127,51 4.804,52 13.221,53 5.382,54 23.861,55 2,56 21.967,57 27.67,59 1.669,61 1,62 1.239,63 2,64 2.672,65 18.42,66 29.583,67 22.59,68 5.047,70 25.084,71 5}
{0 CHEMBL1242101,4 30.013,7 141.83,11 0.4,12 15,13 9.826,14 9.826,16 3,17 0.4,20 -0.422,22 31.463,23 4,25 3,27 0.813,28 2.182,29 134.608,30 0.615,31 12.645,32 0.992,34 4.227,35 1,36 0.378,37 4.473,38 4.473,40 6.626,41 6.626,43 17.552,44 4.096,45 17.713,46 3.841,48 25.307,49 0.715,50 16.464,51 4.718,52 13.213,53 5.18,54 23.465,55 2,56 21.63,57 27.154,58 1,59 1.901,62 1.325,63 4,64 3.533,65 48.526,66 29.006,67 21.678,68 5.056,69 4.612,70 24.046,71 6.046}
{0 CHEMBL1242373,4 23.019,7 121.17,8 44.233,10 1,12 1,13 9.348,14 9.348,15 6.152,16 3,19 2,20 -0.259,22 65.455,23 1,24 1.684,25 2,27 0.166,28 3.695,29 91.613,30 0.34,31 12.863,32 0.711,33 4.844,34 7.962,36 0.237,37 4.774,38 4.774,40 7.107,41 7.107,42 1,43 18.333,44 3.728,45 19.834,46 3.823,48 25.79,49 0.614,50 17.149,51 4.97,52 13.265,53 5.461,54 23.882,55 1,56 21.984,57 27.707,59 1.702,60 1,61 1,62 1.284,64 2.917,65 23.007,66 29.631,67 22.72,68 5.085,69 2.912,70 25.241,71 5.1}
{0 CHEMBL1242482,4 14.606,7 125.49,11 1.437,12 12,13 9.518,14 9.518,16 3,20 -1.212,22 68.388,25 10,27 1.004,28 2.973,29 158.68,30 0.694,31 12.455,32 0.957,34 14.96,36 0.422,37 4.43,38 4.43,40 6.414,41 6.414,43 17.285,44 4.087,45 16.605,46 3.921,48 25.096,49 0.52,50 16.223,51 4.454,52 13.16,53 5.126,54 23.279,55 1,56 21.467,57 26.918,59 1.708,62 1.24,64 3.579,65 85.131,66 28.744,67 21.223,68 5.047,69 6.545,70 23.531,71 4.301}
{0 CHEMBL1242977,4 25.709,7 89.03,11 0.86,12 7,13 10.295,14 10.295,16 9,17 0.4,18 1,20 -0.653,22 34.918,25 8,27 1.037,28 2.178,29 131.382,30 0.734,31 12.712,32 0.898,34 6.714,35 1,36 0.983,37 4.47,38 4.47,39 1,40 7.118,41 7.118,43 18.404,44 4.116,45 18.726,46 3.829,48 26.008,49 0.624,50 17.248,51 4.727,52 13.298,53 5.274,54 24.103,55 2,56 22.205,57 27.919,58 2,59 1.828,62 1.417,63 2,64 3.282,65 142.398,66 29.836,67 22.51,68 5.066,69 5.335,70 24.944,71 5.097}
{0 CHEMBL1243200,4 29.801,7 101.06,11 0.4,12 6,13 10.021,14 10.021,16 9,17 0.4,18 1,20 -0.219,22 34.06,23 1,25 6,27 0.492,28 2.485,29 86.501,30 0.375,31 12.687,32 0.953,34 6.714,35 1,36 0.255,37 4.402,38 4.402,39 1,40 6.518,41 6.518,43 17.446,44 4.274,45 17.129,46 3.818,48 25.214,49 0.738,50 16.373,51 4.771,52 13.161,53 5.093,54 23.382,55 2,56 21.556,57 27.053,58 2,59 1.905,62 1.464,63 2,64 2.858,65 25.338,66 28.897,67 21.606,68 4.902,69 2.117,70 23.959,71 6}
{0 CHEMBL1243326,4 23.909,7 97.74,11 0.4,12 6,13 10.27,14 10.27,16 11,18 1,22 43.193,25 12,27 0.522,28 2.92,29 109.643,30 0.42,31 12.933,32 0.973,34 24.002,35 1,36 0.27,37 4.637,38 4.637,39 1,40 6.806,41 6.806,43 17.954,44 4.278,45 18.673,46 3.822,48 25.641,49 0.738,50 16.838,51 5.069,52 13.404,53 5.27,54 23.779,55 2,56 21.925,57 27.509,58 2,59 1.912,62 1.522,63 2,64 2.924,65 23.205,66 29.383,67 22.23,68 5.173,69 1.72,70 24.648,71 4.602}
{0 CHEMBL124660,4 40.814,7 92.29,11 0.86,12 9,13 9.064,14 9.064,16 14,17 0.86,18 3,20 -0.113,22 59.278,25 9,27 0.658,28 3.85,29 91.716,30 0.884,31 12.828,32 1.094,34 6.604,35 2,36 0.525,37 4.597,38 4.597,39 3,40 6.725,41 6.725,43 17.719,44 4.386,45 18.176,46 3.725,48 25.394,49 1.094,50 16.618,51 4.956,52 13.142,53 5.225,54 23.555,55 3,56 21.724,57 27.239,58 2,59 1.94,62 1.616,63 3,64 3.106,65 41.638,66 29.091,67 21.859,68 4.977,69 2.972,70 24.249,71 5.05}
{0 CHEMBL1258913,4 33.058,7 130.83,8 332.305,11 0.86,12 5,13 9.328,14 9.328,16 5,17 0.8,20 -0.375,22 81.173,24 1.324,25 9,27 0.412,28 3.912,29 77.953,30 0.433,31 12.896,32 1.114,33 5.733,34 6.576,35 2,36 0.369,37 4.614,38 4.614,39 1,40 6.611,41 6.611,43 17.837,44 4.444,45 17.504,46 3.871,48 25.46,49 1.013,50 16.739,51 4.97,52 13.256,53 5.263,54 23.63,56 21.804,57 27.294,58 2,59 1.815,62 1.647,63 1,64 3.145,65 31.563,66 29.132,67 21.824,68 5.017,69 2.162,70 24.169,71 5}
{0 CHEMBL1269042,1 1,3 1,4 27.764,6 1,7 133.97,8 58.19,9 1,10 1,11 0.4,12 3,13 10.38,14 10.38,15 11.104,16 5,17 0.394,18 1,19 1,20 -0.642,22 37.071,23 1,25 9,26 1.503,27 0.916,28 2.41,29 197.054,30 1.108,31 12.874,32 1.173,33 4.844,34 4.656,35 2,36 1.31,37 4.688,38 4.688,39 1,40 7.03,41 7.03,42 1,43 18.561,44 3.657,45 19.54,46 3.671,48 25.965,49 0.473,50 17.393,51 4.905,52 13.322,53 5.391,54 24.074,55 1,56 22.19,57 27.862,58 2,59 1.675,60 2,61 1,62 1.27,63 2,64 3.27,65 173.317,66 29.763,67 22.738,68 5.147,69 5.542,70 25.205,71 7.141}
{0 CHEMBL1269487,1 1,4 41.813,6 1,7 140.73,8 95.269,10 1,11 0.98,12 5,13 10.399,14 10.399,15 5.497,16 10,17 0.8,18 1,19 1,20 -1.067,22 52.256,23 2,25 10,26 1.514,27 1.308,28 3.597,29 200.301,30 1.676,31 13.157,32 0.997,33 4.844,34 11.418,35 1,36 1.708,37 4.688,38 4.688,39 2,40 7.03,41 7.03,43 18.861,44 4.336,45 19.54,46 3.729,48 26.257,49 0.825,50 17.705,51 5.209,52 13.579,53 5.391,54 24.378,55 4,56 22.506,57 28.14,58 4,59 1.852,60 1,62 1.538,63 2,64 3.604,65 199.674,66 30.028,67 22.957,68 5.394,69 5.736,70 25.398,71 6.066}
{0 CHEMBL1269488,1 1,4 45.397,6 1,7 146.77,8 97.151,10 1,11 0.98,12 5,13 10.399,14 10.399,15 5.509,16 7,17 0.8,18 1,19 1,20 -0.644,22 58.193,23 2,25 10,26 1.523,27 1.275,28 4.155,29 189.301,30 1.692,31 13.19,32 1.098,33 4.844,34 8.932,35 3,36 1.678,37 4.688,38 4.688,39 1,40 7.03,41 7.03,43 18.718,44 4.319,45 19.54,46 3.768,48 26.195,49 0.825,50 17.563,51 5.263,52 13.52,53 5.391,54 24.316,55 4,56 22.443,57 28.08,58 4,59 1.872,60 1,62 1.539,63 2,64 3.604,65 188.897,66 29.97,67 22.88,68 5.308,69 5.542,70 25.329,71 7.456}
{0 CHEMBL1269489,1 1,3 6,4 46.946,6 1,7 114.43,8 109.111,10 1,11 0.98,12 14,13 11.953,14 11.953,15 6.041,16 10,17 0.8,18 1,19 1,20 -0.682,22 55.051,23 2,25 19,26 1.837,27 0.772,28 5.726,29 164.156,30 1.383,31 13.66,32 1.044,33 4.844,34 4.656,35 1,36 1.402,37 5.012,38 5.012,39 1,40 8.493,41 8.493,43 20.329,44 5.158,45 26.005,46 3.897,48 27.978,49 1.01,50 19.018,51 5.778,52 13.924,53 5.893,54 25.885,55 1,56 23.805,57 30.081,58 4,59 1.905,60 1,62 1.75,63 2,64 3.579,65 185.127,66 32.192,67 25.73,68 5.515,69 5.542,70 28.572,71 5}
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{0 CHEMBL1271482,1 1,4 46.929,6 1,7 123.22,8 90.187,10 1,11 0.8,12 7,13 12.041,14 12.041,15 5.514,16 11,17 0.4,18 1,19 1,20 -0.632,22 42.14,23 2,25 9,26 1.539,27 0.94,28 3.887,29 164.156,30 1.153,31 13.253,32 1.144,33 4.844,34 4.656,35 2,36 1.437,37 4.688,38 4.688,39 1,40 7.714,41 7.714,43 19.727,44 4.344,45 22.489,46 3.815,48 27.095,49 0.839,50 18.484,51 5.226,52 13.699,53 5.662,54 25.12,55 1,56 23.154,57 29.078,58 2,59 1.803,60 1,62 1.603,63 2,64 3.604,65 197.853,66 31.068,67 24.032,68 5.447,69 5.542,70 26.623,71 6.016}
{0 CHEMBL1271535,1 1,4 40.605,6 1,7 123.22,8 200.134,10 1,11 0.8,12 4,13 10.384,14 10.384,15 5.487,16 8,17 0.4,18 1,19 1,20 -0.629,22 48.886,23 2,25 9,26 1.536,27 0.904,28 3.382,29 164.156,30 1.219,31 13.028,32 1.203,33 5.416,34 4.656,35 2,36 1.451,37 4.688,38 4.688,39 1,40 7.03,41 7.03,43 18.614,44 4.153,45 19.54,46 3.758,48 26.045,49 0.801,50 17.454,51 5.056,52 13.408,53 5.391,54 24.163,55 1,56 22.288,57 27.934,58 2,59 1.803,60 1,62 1.591,63 2,64 3.27,65 187.379,66 29.829,67 22.775,68 5.215,69 5.542,70 25.234,71 6.869}
{0 CHEMBL1271590,1 1,4 38.289,6 1,7 114.43,8 78.162,10 1,11 0.8,12 5,13 10.399,14 10.399,15 5.489,16 8,17 0.8,18 1,19 1,20 -0.627,22 47.6,23 2,25 10,26 1.541,27 0.846,28 3.468,29 164.156,30 1.27,31 13.057,32 1.274,33 4.844,34 4.656,35 1,36 1.477,37 4.688,38 4.688,39 1,40 7.03,41 7.03,43 18.63,44 4.09,45 19.54,46 3.698,48 26.064,49 0.825,50 17.469,51 5.142,52 13.414,53 5.391,54 24.181,55 1,56 22.305,57 27.953,58 4,59 1.803,60 1,62 1.532,63 2,64 3.272,65 182.296,66 29.847,67 22.797,68 5.215,69 5.542,70 25.255,71 8.097}
{0 CHEMBL1271591,1 1,4 38.369,6 1,7 132.01,8 172.944,10 1,11 0.4,12 3,13 10.385,14 10.385,15 5.467,16 5,17 0.4,18 1,19 1,20 -0.631,22 43.817,23 1,25 9,26 1.53,27 0.947,28 2.905,29 164.156,30 1.286,31 12.992,32 1.184,33 5.352,34 4.656,35 2,36 1.41,37 4.688,38 4.688,39 1,40 7.03,41 7.03,43 18.584,44 3.988,45 19.54,46 3.696,48 25.993,49 0.761,50 17.42,51 5.05,52 13.373,53 5.391,54 24.107,55 1,56 22.229,57 27.885,58 2,59 1.762,60 1,62 1.533,63 2,64 3.27,65 182.876,66 29.783,67 22.752,68 5.182,69 5.542,70 25.216,71 7.114}
{0 CHEMBL1271644,1 1,4 36.516,6 1,7 123.22,8 71.603,10 1,11 0.8,12 5,13 10.399,14 10.399,15 5.472,16 7,17 0.4,18 1,19 1,20 -0.628,22 45.494,23 2,25 10,26 1.535,27 0.894,28 3.213,29 164.156,30 1.33,31 13.014,32 1.279,33 4.844,34 4.656,35 1,36 1.441,37 4.688,38 4.688,39 1,40 7.03,41 7.03,43 18.618,44 3.977,45 19.54,46 3.685,48 26.05,49 0.761,50 17.455,51 5.081,52 13.388,53 5.391,54 24.165,55 1,56 22.286,57 27.942,58 4,59 1.803,60 1,62 1.516,63 2,64 3.271,65 179.731,66 29.838,67 22.792,68 5.182,69 5.542,70 25.251,71 8.699}
{0 CHEMBL1271645,1 1,4 37.127,6 1,7 128.26,8 78.08,10 1,11 0.98,12 5,13 10.905,14 10.905,15 5.473,16 7,17 0.8,18 1,19 1,20 -0.646,22 45.494,23 2,25 10,26 1.516,27 1.155,28 3.585,29 190.993,30 1.422,31 13.093,32 1.25,33 4.844,34 4.656,35 1,36 1.534,37 4.688,38 4.688,39 1,40 7.03,41 7.03,43 18.895,44 4.071,45 19.54,46 3.744,48 26.29,49 0.761,50 17.73,51 5.153,52 13.518,53 5.391,54 24.4,55 1,56 22.516,57 28.184,58 4,59 1.803,60 1,62 1.528,63 2,64 3.566,65 190.509,66 30.083,67 23.032,68 5.308,69 5.542,70 25.478,71 6.896}
{0 CHEMBL1271694,1 1,3 1,4 37.547,6 1,7 142.09,8 81.014,9 1,10 1,11 1.121,12 3,13 12.041,14 12.041,15 5.46,16 5,17 0.98,18 1,19 1,20 -0.674,22 45.494,23 1,25 9,26 1.479,27 1.477,28 3.976,29 217.829,30 1.556,31 13.187,32 1.301,33 4.844,34 4.656,35 1,36 1.596,37 4.688,38 4.688,39 1,40 7.481,41 7.481,43 19.424,44 4.088,45 20.732,46 3.76,48 26.881,49 0.761,50 18.22,51 5.193,52 13.655,53 5.498,54 24.931,55 1,56 22.989,57 28.836,58 2,59 1.803,60 2,62 1.53,63 2,64 3.604,65 206.742,66 30.796,67 23.807,68 5.394,69 5.542,70 26.34,71 5.572}
{0 CHEMBL1272089,1 1,4 24.602,6 1,7 107.95,8 55.381,10 1,11 0.4,12 4,13 10.367,14 10.367,15 5.405,16 5,17 0.394,18 1,19 1,20 -0.629,22 34.314,23 1,25 9,26 1.519,27 0.847,28 2.353,29 164.156,30 1.041,31 12.831,32 1.019,33 4.844,34 4.656,35 1,36 1.288,37 4.688,38 4.688,39 1,40 7.03,41 7.03,43 18.541,44 3.592,45 19.54,46 3.668,48 25.953,49 0.474,50 17.372,51 4.852,52 13.275,53 5.391,54 24.06,55 1,56 22.174,57 27.851,58 2,59 1.672,60 1,62 1.202,63 2,64 3.269,65 168.931,66 29.754,67 22.73,68 5.066,69 5.542,70 25.197,71 6.932}
{0 CHEMBL1272140,1 1,4 36.708,6 1,7 114.43,8 74.841,10 1,11 0.8,12 5,13 10.399,14 10.399,15 5.481,16 7,17 0.8,18 1,19 1,20 -0.627,22 45.494,23 2,25 10,26 1.538,27 0.916,28 3.397,29 164.156,30 1.298,31 13.041,32 1.252,33 4.844,34 4.656,35 1,36 1.48,37 4.688,38 4.688,39 1,40 7.03,41 7.03,43 18.626,44 4.049,45 19.54,46 3.692,48 26.057,49 0.761,50 17.465,51 5.118,52 13.407,53 5.391,54 24.174,55 1,56 22.297,57 27.947,58 4,59 1.803,60 1,62 1.526,63 2,64 3.272,65 179.391,66 29.843,67 22.795,68 5.215,69 5.542,70 25.253,71 8.523}
{0 CHEMBL1272195,1 1,4 38.752,6 1,7 114.43,8 77.058,10 1,11 0.8,12 5,13 10.399,14 10.399,15 5.491,16 9,17 0.8,18 1,19 1,20 -0.627,22 48.028,23 2,25 10,26 1.541,27 0.949,28 3.489,29 164.156,30 1.312,31 13.043,32 1.232,33 4.949,34 4.656,35 1,36 1.483,37 4.688,38 4.688,39 1,40 7.03,41 7.03,43 18.623,44 4.118,45 19.54,46 3.692,48 26.057,49 0.761,50 17.461,51 5.153,52 13.408,53 5.391,54 24.173,55 1,56 22.296,57 27.947,58 4,59 1.804,60 1,62 1.532,63 2,64 3.272,65 182.5,66 29.842,67 22.794,68 5.215,69 5.542,70 25.252,71 7.602}
{0 CHEMBL1272250,1 1,4 43.959,6 1,7 114.43,8 210.137,10 1,11 0.8,12 5,13 10.399,14 10.399,15 5.513,16 13,17 0.8,18 1,19 1,20 -0.622,22 55.632,23 2,25 10,26 1.55,27 0.889,28 4.245,29 164.156,30 1.367,31 13.149,32 1.276,33 5.352,34 4.656,35 1,36 1.464,37 4.688,38 4.688,39 1,40 7.03,41 7.03,43 18.677,44 4.199,45 19.54,46 3.774,48 26.134,49 0.931,50 17.521,51 5.231,52 13.461,53 5.391,54 24.255,55 1,56 22.382,57 28.02,58 4,59 1.803,60 1,62 1.629,63 3,64 3.272,65 188.559,66 29.91,67 22.842,68 5.247,69 5.542,70 25.292,71 7.481}
{0 CHEMBL1272300,1 1,4 40.605,6 1,7 123.22,8 78.393,10 1,11 0.8,12 3,13 10.385,14 10.385,15 5.484,16 7,17 0.4,18 1,19 1,20 -0.629,22 46.352,23 2,25 9,26 1.536,27 0.986,28 3.61,29 164.156,30 1.276,31 13.023,32 1.183,33 4.844,34 4.656,35 2,36 1.451,37 4.688,38 4.688,39 1,40 7.03,41 7.03,43 18.59,44 4.112,45 19.54,46 3.715,48 26,49 0.761,50 17.428,51 5.088,52 13.393,53 5.391,54 24.116,55 1,56 22.24,57 27.891,58 2,59 1.803,60 1,62 1.529,63 2,64 3.27,65 184.884,66 29.788,67 22.754,68 5.215,69 5.542,70 25.217,71 6.699}
{0 CHEMBL1276848,4 26.884,7 120.03,11 0.86,12 7,13 10.384,14 10.384,15 6.157,16 7,17 0.86,18 3,20 -0.765,22 31.879,25 11,27 0.643,28 2.625,29 167.296,30 0.7,31 12.746,32 0.954,34 4.656,35 1,36 0.539,37 4.495,38 4.495,39 3,40 6.809,41 6.809,42 1,43 18.121,44 4.089,45 18.683,46 3.672,48 25.801,49 0.66,50 16.986,51 4.736,52 13.068,53 5.251,54 23.929,55 1,56 22.063,57 27.675,58 3,59 1.589,61 1,62 1.502,63 1,64 3.33,65 60.341,66 29.554,67 22.284,68 4.879,69 3.925,70 24.697,71 4.712}
{0 CHEMBL1277019,3 1,4 18.79,7 120.58,8 64.286,13 9.736,14 9.736,15 6.01,16 3,20 -0.719,22 55.959,24 1.653,25 5,27 0.374,28 2.424,29 134.297,30 0.291,31 12.347,32 1.14,33 4.595,34 17.785,35 1,36 0.261,37 4.455,38 4.455,40 6.576,41 6.576,42 1,43 17.43,44 3.686,45 17.278,46 3.648,48 25.187,49 0.605,50 16.332,51 4.357,52 12.738,53 5.145,54 23.34,55 1,56 21.496,57 27.039,59 1.476,61 1,62 1.334,64 3.046,65 41.499,66 28.893,67 21.58,68 4.527,69 3.925,70 23.937,71 5.071}
{0 CHEMBL127898,2 1,4 26.612,6 1,7 105.86,8 118.433,11 2.035,12 8,13 10.682,14 10.682,16 8,17 1.704,18 1,20 0.171,22 35.982,25 12,26 1.779,27 1.003,28 2.628,29 170.929,30 1.087,31 12.898,32 0.844,33 4.595,34 2.757,36 1.408,37 4.573,38 4.573,39 2,40 6.821,41 6.821,43 18.421,44 4.359,45 18.808,46 3.788,47 1,48 25.962,49 0.646,50 17.283,51 4.913,52 13.458,53 5.3,54 24.091,55 2,56 22.225,57 27.838,58 1,59 1.819,62 1.49,63 3,64 4.057,65 169.767,66 29.717,67 22.527,68 5.112,69 6.067,70 24.941,71 5.1}
{0 CHEMBL1287853,4 38.907,7 116.86,8 129.463,11 0.4,12 4,13 9.713,14 9.713,16 6,17 0.4,18 1,22 35.699,23 1,25 8,27 0.609,28 3.138,29 88.884,30 0.467,31 12.668,32 1.214,33 4.443,34 4.227,35 3,36 0.49,37 4.875,38 4.875,39 1,40 7.355,41 7.355,43 18.818,44 4.337,45 20.441,46 3.803,48 26.219,49 1.058,50 17.614,51 4.585,52 13.463,53 5.484,54 24.277,55 2,56 22.346,57 28.169,59 1.868,62 1.52,64 3.08,65 69.127,66 30.127,67 23.047,68 5.286,69 1.72,70 25.577,71 6.553}
{0 CHEMBL1288582,4 4.313,7 66.59,8 68.893,12 1,13 9.457,14 9.457,16 4,18 1,22 19.762,23 3,25 3,27 0.249,28 1.584,29 44.448,30 0.168,31 12.463,32 0.8,33 5.416,34 7.658,36 0.129,37 4.639,38 4.639,39 1,40 6.728,41 6.728,42 1,43 17.68,44 3.144,45 18.238,46 3.421,48 25.207,49 0.279,50 16.547,51 4.533,52 12.999,53 5.208,54 23.343,56 21.484,57 27.076,59 1.53,61 1,62 1.044,64 2.643,65 11.482,66 28.95,67 21.799,68 4.808,69 1.72,70 24.206,71 4.523}
{0 CHEMBL1289926,4 7.851,7 95.97,8 63.273,12 1,13 9.959,14 9.959,16 6,20 -0.092,22 53.442,25 5,27 0.237,28 2.697,29 58.593,30 0.162,31 12.474,32 0.963,33 4.727,34 2.757,35 1,36 0.109,37 4.558,38 4.558,40 6.542,41 6.542,42 1,43 17.453,44 3.841,45 17.118,46 3.805,48 25.144,49 0.679,50 16.357,51 4.511,52 13.042,53 5.207,54 23.298,56 21.458,57 26.995,58 1,59 1.735,61 1,62 1.196,64 3.158,65 16.07,66 28.85,67 21.575,68 4.796,69 5.9,70 23.933,71 5}
{0 CHEMBL1290746,3 1,4 23.032,6 1,7 128.07,8 188.06,10 1,12 3,13 9.37,14 9.37,15 6.044,16 7,19 1,20 -0.964,21 1,22 38.256,23 3,25 5,26 1.152,27 0.883,28 1.785,29 144.141,30 0.888,31 12.658,32 0.88,33 5.283,34 29.059,35 1,36 0.387,37 4.566,38 4.566,40 6.799,41 6.799,42 1,43 17.869,44 3.815,45 18.584,46 3.785,48 25.544,49 0.599,50 16.749,51 4.595,52 13.205,53 5.219,54 23.684,56 21.831,57 27.408,59 1.685,61 1,62 1.407,63 3,64 3.29,65 29.472,66 29.277,67 21.984,68 4.987,69 2.117,70 24.391,71 4.824}
{0 CHEMBL1336,4 27.261,7 92.35,11 1.058,12 4,13 8.764,14 8.764,16 6,17 0.86,18 1,20 -1.095,22 34.424,25 3,27 1.323,28 1.759,29 162.104,30 1.184,31 12.488,32 0.873,34 4.276,35 2,36 1.055,37 4.547,38 4.547,39 1,40 7.24,41 7.24,42 1,43 18.393,44 3.684,45 19.593,46 3.792,48 25.933,49 0.329,50 17.21,51 4.394,52 13.137,53 5.319,54 24.001,56 22.08,57 27.875,59 1.68,62 1.199,63 1,64 3.555,65 147.525,66 29.823,67 22.573,68 4.966,69 5.335,70 25.07,71 5.05}
{0 CHEMBL1375418,4 12.138,7 55.11,8 52.882,12 5,13 7.868,14 7.868,16 5,22 18.034,25 10,27 0.193,28 1.795,29 49.989,30 0.173,31 12.371,32 1.014,33 4.727,34 2.328,35 2,36 0.127,37 4.609,38 4.609,40 6.718,41 6.718,42 1,43 17.402,44 3.542,45 18.07,46 3.753,48 24.998,49 0.453,50 16.282,51 4.443,52 12.9,53 5.164,54 23.139,55 2,56 21.289,57 26.864,59 1.573,61 1,62 1.062,64 2.603,65 12.391,66 28.737,67 21.589,68 4.691,69 1.315,70 24.003,71 5.1}
{0 CHEMBL1375640,4 13.497,7 102.16,8 60.645,12 3,13 8.558,14 8.558,15 5.627,16 5,18 1,19 1,22 54.315,24 1.521,25 5,27 0.228,28 1.956,29 133.402,30 0.225,31 12.168,32 0.762,33 4.727,34 3.257,36 0.219,37 4.447,38 4.447,39 1,40 6.506,41 6.506,42 1,43 17.112,44 3.335,45 16.988,46 3.721,48 24.766,49 0.196,50 16.026,51 4.094,52 12.73,53 5.139,54 22.937,55 1,56 21.115,57 26.6,58 2,59 1.532,61 1,62 0.988,63 1,64 2.673,65 19.32,66 28.439,67 21.092,68 4.559,69 2.302,70 23.433,71 5.1}
{0 CHEMBL1381197,4 11.313,7 55.11,8 52.882,12 5,13 7.868,14 7.868,16 5,22 18.349,25 10,27 0.249,28 1.824,29 89.138,30 0.172,31 12.371,32 1.001,33 4.727,34 2.328,35 2,36 0.122,37 4.609,38 4.609,40 6.718,41 6.718,42 1,43 17.402,44 3.505,45 18.07,46 3.755,48 24.998,49 0.364,50 16.282,51 4.443,52 12.9,53 5.165,54 23.139,55 2,56 21.289,57 26.864,59 1.496,61 1,62 1.062,64 2.716,65 10.306,66 28.737,67 21.589,68 4.691,69 1.315,70 24.003,71 5.1}
{0 CHEMBL1419458,3 1,4 12.198,5 1,6 1,7 150,8 160.973,9 1,10 1,12 1,13 9.299,14 9.299,15 5.764,16 4,20 -0.551,22 21.245,23 3,25 7,26 1.294,27 0.618,28 1.49,29 173.848,30 0.796,31 12.582,32 0.827,33 5.352,34 7.413,35 1,36 0.334,37 4.651,38 4.651,40 7.009,41 7.009,42 1,43 18.001,44 3.57,45 19.471,46 3.762,48 25.618,49 0.218,50 16.837,51 4.575,52 13.041,53 5.321,54 23.715,55 3,56 21.819,57 27.527,58 1,59 1.718,61 1,62 1.228,63 6,64 2.74,65 20.002,66 29.442,67 22.438,68 4.677,69 1.96,70 24.931,71 5.1}
{0 CHEMBL1421,4 32.957,7 134.75,8 97.808,11 0.8,12 3,13 9.352,14 9.352,16 6,17 0.4,20 -0.267,22 64.797,23 3,24 1.238,25 1,27 0.546,28 2.857,29 157.334,30 0.533,31 12.611,32 1.085,33 4.595,34 6.014,35 1,36 0.43,37 4.372,38 4.372,40 6.427,41 6.427,43 17.383,44 4.07,45 16.37,46 3.872,48 25.08,49 0.825,50 16.319,51 4.654,52 13.027,53 5.109,54 23.27,55 2,56 21.465,57 26.894,58 2,59 1.655,62 1.407,63 3,64 3.187,65 31.59,66 28.713,67 21.277,68 4.89,69 2.117,70 23.582,71 5.05}
{0 CHEMBL143703,4 11.723,7 54.02,13 6.953,14 6.953,16 2,20 -0.301,22 9.36,23 1,25 1,27 0.182,28 0.748,29 41.93,30 0.104,31 11.328,32 0.925,34 6.604,36 0.17,37 4.017,38 4.017,40 5.574,41 5.574,42 1,43 15.092,44 2.768,45 13.365,46 3.356,48 22.844,49 0.205,50 14.18,51 3.219,52 11.921,53 4.694,54 21.155,56 19.47,57 24.535,59 1.115,61 1,62 0.834,63 1,64 2.488,65 13.489,66 26.23,67 18.608,68 3.689,69 2.912,70 20.746,71 4.1}
{0 CHEMBL1461728,4 9.147,7 57.78,8 43.374,12 1,13 8.769,14 8.769,16 2,20 -0.345,22 24.485,25 4,27 0.335,28 1.143,29 56.768,30 0.209,31 12.019,32 1.347,33 4.595,34 17.104,35 1,36 0.161,37 4.43,38 4.43,40 6.202,41 6.202,42 1,43 16.708,44 3.006,45 15.639,46 3.417,48 24.389,49 0.203,50 15.658,51 3.97,52 12.672,53 4.975,54 22.594,56 20.803,57 26.187,59 1.473,61 1,62 0.938,64 2.879,65 12.969,66 27.989,67 20.525,68 4.543,69 2.117,70 22.796,71 5.1}
{0 CHEMBL1472492,3 1,4 11.887,6 2,7 8.81,8 101.246,12 1,13 7.184,14 7.184,16 2,19 2,22 45.208,25 2,26 4.78,27 0.225,28 2.883,30 0.189,31 11.9,32 0.942,33 4.727,34 11.771,36 0.212,37 4.388,38 4.388,40 6.43,41 6.43,43 16.674,44 4.194,45 16.559,46 3.67,47 1,48 24.338,49 1.148,50 15.596,51 3.892,52 12.314,53 4.978,54 22.507,56 20.684,57 26.174,59 1.885,60 1,62 1.642,64 2.085,65 17.624,66 28.015,67 20.589,68 4.007,69 1.043,70 22.921,71 5.1}
{0 CHEMBL14762,2 1,4 24.833,6 1,7 87.89,8 59.154,12 2,13 8.354,14 8.354,16 2,22 15.912,23 3,26 2.024,27 0.425,28 1.679,29 93.04,30 0.429,31 12.441,32 1.038,33 4.727,34 4.227,35 3,36 0.304,37 4.656,38 4.656,40 6.805,41 6.805,42 1,43 17.657,44 3.969,45 18.537,46 3.6,47 1,48 25.215,49 0.688,50 16.516,51 4.522,52 12.872,53 5.24,54 23.346,55 3,56 21.485,57 27.091,59 1.814,61 1,62 1.413,63 1,64 2.769,65 27.887,66 28.973,67 21.84,68 4.677,69 1.315,70 24.277,71 5}
{0 CHEMBL1516890,4 10.682,6 1,7 50.68,8 73.372,13 10.732,14 10.732,16 6,20 0.513,22 21.306,25 6,26 2.063,27 0.18,28 1.837,29 41.93,30 0.074,31 12.554,32 0.87,33 5.533,34 13.915,36 0.114,37 4.657,38 4.657,40 6.773,41 6.773,42 1,43 18.05,44 3.336,45 18.184,46 3.418,48 25.543,49 0.343,50 16.897,51 4.489,52 13.057,53 5.255,54 23.656,56 21.774,57 27.434,58 2,59 1.621,61 1,62 0.976,63 1,64 2.754,65 11.646,66 29.328,67 22.214,68 4.783,69 2.117,70 24.643,71 5.1}
{0 CHEMBL1614701,2 1,4 18.997,6 1,7 88.41,8 66.456,11 0.4,12 2,13 9.524,14 9.524,16 2,20 -0.679,22 37.961,23 2,25 4,26 1.597,27 0.832,28 2.012,29 149.941,30 0.901,31 12.626,32 0.893,33 4.727,34 17.104,35 3,36 0.538,37 4.714,38 4.714,39 1,40 6.907,41 6.907,42 1,43 18.062,44 3.795,45 19.207,46 3.944,47 1,48 25.611,49 0.261,50 16.904,51 4.673,52 13.142,53 5.307,54 23.73,55 1,56 21.855,57 27.497,58 2,59 1.742,62 1.149,64 3.223,65 42.845,66 29.388,67 22.219,68 4.997,69 4.191,70 24.675,71 5}
{0 CHEMBL1614705,4 16.683,7 95,8 81.259,11 0.129,12 4,13 9.467,14 9.467,16 7,20 -0.27,22 41.248,23 1,25 3,27 0.765,28 2.763,29 172.171,30 0.586,31 12.731,32 1.159,33 4.727,34 17.717,35 1,36 0.374,37 4.642,38 4.642,40 7.017,41 7.017,42 1,43 18.11,44 4.062,45 19.548,46 3.73,48 25.738,49 0.744,50 16.952,51 4.812,52 13.052,53 5.355,54 23.843,55 2,56 21.956,57 27.64,58 2,59 1.711,61 1,62 1.372,63 1,64 3.155,65 35.541,66 29.547,67 22.526,68 4.783,69 3.579,70 25.013,71 5.1}
{0 CHEMBL1614725,4 31.697,6 1,7 101.3,8 96.497,11 0.86,12 3,13 11.242,14 11.242,16 6,17 0.4,18 1,20 -0.259,22 37.997,23 2,25 5,26 1.884,27 1.307,28 2.451,29 196.428,30 0.855,31 12.827,32 0.99,33 4.727,34 16.243,35 1,36 1.065,37 4.631,38 4.631,39 1,40 7.116,41 7.116,43 18.743,44 4.207,45 18.672,46 3.865,48 26.235,49 0.868,50 17.581,51 4.787,52 13.466,53 5.265,54 24.325,55 1,56 22.422,57 28.151,59 1.886,62 1.442,64 3.324,65 155.716,66 30.071,67 22.855,68 5.278,69 5.335,70 25.293,71 5}
{0 CHEMBL1614933,1 1,2 1,3 3,4 32.567,5 1,6 1,7 110.85,8 187.847,9 1,10 1,11 0.98,12 5,13 11.072,14 11.072,15 5.563,16 12,17 0.86,18 2,19 1,20 -0.73,21 1,22 73.289,23 1,24 1.082,25 8,26 1.782,27 1.101,28 3.602,29 141.708,30 0.657,31 12.961,32 1.221,33 5.416,34 3.503,35 1,36 1.081,37 4.64,38 4.64,39 2,40 7.247,41 7.247,43 18.767,44 4.259,45 19.718,46 3.906,47 1,48 26.304,49 0.753,50 17.588,51 4.97,52 13.445,53 5.42,54 24.38,55 1,56 22.463,57 28.235,58 1,59 1.744,60 1,62 1.468,63 4,64 3.258,65 156.785,66 30.172,67 22.986,68 5.215,69 5.335,70 25.467,71 8.046}
{0 CHEMBL1615277,1 1,2 1,3 3,4 33.372,6 1,7 82.61,8 91.462,10 1,11 0.98,12 7,13 10.965,14 10.965,15 5.554,16 15,17 0.86,18 2,19 2,20 -0.751,22 41.074,23 1,25 9,26 1.806,27 1.054,28 3.385,29 141.708,30 0.646,31 13.005,32 1.138,33 4.727,34 2.144,36 1.019,37 4.62,38 4.62,39 2,40 7.279,41 7.279,43 18.805,44 4.331,45 20.103,46 3.827,47 1,48 26.367,49 0.825,50 17.625,51 5.011,52 13.477,53 5.373,54 24.443,55 1,56 22.526,57 28.298,58 2,59 1.921,60 1,62 1.511,63 4,64 3.273,65 158.033,66 30.235,67 23.058,68 5.247,69 5.335,70 25.549,71 4.29}
{0 CHEMBL1615278,1 1,2 1,3 3,4 33.372,5 1,6 1,7 110.85,8 194.633,9 1,10 1,11 0.98,12 5,13 11.077,14 11.077,15 5.609,16 13,17 0.86,18 2,19 1,20 -0.733,21 1,22 68.697,23 1,24 1.084,25 8,26 1.787,27 1.051,28 3.823,29 141.708,30 0.759,31 13.024,32 1.2,33 5.416,34 3.503,35 1,36 1.056,37 4.641,38 4.641,39 2,40 7.279,41 7.279,43 18.845,44 4.315,45 20.104,46 3.916,47 1,48 26.377,49 0.825,50 17.662,51 5.017,52 13.48,53 5.456,54 24.452,55 1,56 22.534,57 28.309,58 1,59 1.754,60 1,62 1.516,63 4,64 3.271,65 158.017,66 30.247,67 23.082,68 5.247,69 5.335,70 25.575,71 8.699}
{0 CHEMBL162,4 28.268,6 2,7 69.45,8 83.28,11 0.86,12 1,13 13.599,14 13.599,16 11,17 0.473,20 0.004,22 34.584,23 3,25 12,26 4.7,27 0.443,28 5.703,29 47.145,30 0.67,31 13.834,32 1.048,33 6.009,34 20.348,35 2,36 0.37,37 5.131,38 5.131,39 2,40 8.018,41 8.018,43 20.262,44 4.709,45 24.331,46 3.781,48 27.61,49 0.845,50 18.965,51 6.045,52 13.961,53 5.862,54 25.587,55 2,56 23.573,57 29.639,58 1,59 1.937,62 1.55,64 3.378,65 30.97,66 31.674,67 25.023,68 5.602,69 2.315,70 27.73,71 6.61}
{0 CHEMBL1624529,3 1,4 29.209,7 101.45,8 68.052,10 1,11 0.8,13 11.759,14 11.759,15 5.92,16 9,20 -3.189,22 51.402,23 3,25 6,27 1.439,28 2.749,29 187.536,30 1.559,31 13.146,32 1.052,33 6.33,34 61.307,36 0.61,37 4.648,38 4.648,40 7.027,41 7.027,42 1,43 18.952,44 3.862,45 19.693,46 3.808,48 26.329,49 0.612,50 17.76,51 5.142,52 13.385,53 5.446,54 24.42,55 2,56 22.516,57 28.242,58 2,59 1.611,61 1,62 1.255,63 5,64 3.419,65 92.777,66 30.159,67 23.118,68 5.121,69 2.873,70 25.599,71 5.1}
{0 CHEMBL1630107,4 23.207,7 109.51,8 107.129,11 0.4,12 8,13 9.09,14 9.09,16 10,18 1,20 -0.659,22 54.233,23 1,25 12,27 0.775,28 2.588,29 176.138,30 0.596,31 12.781,32 1.09,33 4.595,34 28.186,35 2,36 0.418,37 4.553,38 4.553,39 1,40 6.557,41 6.557,43 17.54,44 4.193,45 17.268,46 3.855,48 25.2,49 0.635,50 16.463,51 4.913,52 13.321,53 5.17,54 23.383,55 1,56 21.574,57 27.023,58 2,59 1.831,62 1.44,64 3.14,65 26.883,66 28.852,67 21.533,68 5.165,69 2.993,70 23.873,71 4.921}
{0 CHEMBL1630108,4 23.207,7 124.61,8 107.129,11 0.4,12 7,13 9.09,14 9.09,16 6,18 1,20 -0.593,22 77.329,23 1,24 1.502,25 9,27 0.633,28 3.196,29 166.63,30 0.487,31 12.781,32 1.057,33 4.595,34 20.005,35 1,36 0.355,37 4.553,38 4.553,39 1,40 6.557,41 6.557,43 17.54,44 4.241,45 17.268,46 3.948,48 25.2,49 0.692,50 16.463,51 4.913,52 13.321,53 5.187,54 23.383,55 1,56 21.574,57 27.023,59 1.809,62 1.427,64 3.14,65 26.472,66 28.852,67 21.533,68 5.165,69 2.993,70 23.873,71 5.569}
{0 CHEMBL1630109,4 23.207,7 96.37,11 0.4,12 7,13 9.042,14 9.042,16 6,18 1,20 -0.606,22 49.706,23 1,25 9,27 0.599,28 2.868,29 166.63,30 0.52,31 12.781,32 1.104,34 17.288,35 1,36 0.322,37 4.551,38 4.551,39 1,40 6.557,41 6.557,43 17.512,44 4.301,45 17.266,46 3.855,48 25.195,49 0.647,50 16.438,51 4.927,52 13.321,53 5.165,54 23.379,55 1,56 21.57,57 27.018,59 1.914,62 1.421,64 3.138,65 27.196,66 28.846,67 21.523,68 5.165,69 2.993,70 23.864,71 5.167}
{0 CHEMBL1630110,4 23.207,7 96.37,11 0.4,12 7,13 8.93,14 8.93,16 6,18 1,20 -0.596,22 49.706,23 1,25 9,27 0.595,28 2.843,29 166.63,30 0.519,31 12.773,32 1.014,34 17.288,35 1,36 0.322,37 4.55,38 4.55,39 1,40 6.556,41 6.556,43 17.492,44 4.254,45 17.261,46 3.855,48 25.185,49 0.654,50 16.42,51 4.927,52 13.32,53 5.163,54 23.37,55 1,56 21.563,57 27.007,59 1.915,62 1.421,64 3.136,65 27.166,66 28.834,67 21.503,68 5.165,69 2.993,70 23.841,71 5.041}
{0 CHEMBL1630111,3 1,4 27.662,7 115.3,8 116.799,9 1,11 0.4,12 4,13 9.381,14 9.381,15 5.933,16 8,18 1,19 1,20 -0.411,22 59.746,23 1,25 11,27 0.731,28 2.987,29 166.229,30 0.608,31 12.942,32 1.036,33 4.595,34 28.186,35 2,36 0.329,37 4.555,38 4.555,39 1,40 6.558,41 6.558,43 17.761,44 4.324,45 17.273,46 3.891,48 25.449,49 0.731,50 16.684,51 5.043,52 13.474,53 5.178,54 23.63,55 1,56 21.817,57 27.272,58 2,59 1.928,60 2,62 1.443,64 3.135,65 26.087,66 29.099,67 21.734,68 5.308,69 2.302,70 24.065,71 5.409}
{0 CHEMBL1630112,3 1,4 27.662,7 130.4,8 116.799,9 1,11 0.4,12 3,13 9.381,14 9.381,15 5.967,16 5,18 1,19 1,20 -0.226,22 82.843,23 1,24 1.379,25 10,27 0.602,28 3.586,29 156.722,30 0.45,31 12.942,32 1.029,33 4.595,34 20.005,35 2,36 0.277,37 4.555,38 4.555,39 1,40 6.558,41 6.558,43 17.761,44 4.399,45 17.273,46 3.95,48 25.449,49 0.733,50 16.684,51 5.043,52 13.474,53 5.205,54 23.63,55 1,56 21.817,57 27.272,59 1.927,60 2,62 1.435,64 3.135,65 24.998,66 29.099,67 21.734,68 5.308,69 2.302,70 24.065,71 5.252}
{0 CHEMBL1630113,3 1,4 27.662,7 115.3,8 127.115,9 1,11 0.4,12 9,13 9.09,14 9.09,15 5.892,16 10,18 1,19 1,20 -0.328,22 59.746,23 1,25 12,27 0.696,28 3.07,29 166.229,30 0.482,31 12.925,32 1.046,33 4.595,34 28.186,35 3,36 0.307,37 4.553,38 4.553,39 1,40 6.557,41 6.557,43 17.671,44 4.357,45 17.268,46 3.882,48 25.356,49 0.828,50 16.601,51 5.017,52 13.473,53 5.17,54 23.542,55 1,56 21.734,57 27.175,58 2,59 1.928,60 2,62 1.48,64 3.14,65 26.168,66 28.999,67 21.646,68 5.308,69 2.302,70 23.977,71 5.071}
{0 CHEMBL1630114,3 2,4 27.662,7 102.16,9 1,11 0.4,12 7,13 9.042,14 9.042,15 5.927,16 6,18 1,19 1,20 -0.275,22 55.22,23 1,25 9,27 0.536,28 3.351,29 156.722,30 0.411,31 12.925,32 1.073,34 17.288,35 2,36 0.232,37 4.551,38 4.551,39 1,40 6.557,41 6.557,43 17.647,44 4.463,45 17.266,46 3.882,48 25.351,49 1.024,50 16.579,51 5.03,52 13.473,53 5.166,54 23.538,55 1,56 21.731,57 27.17,59 1.964,60 2,62 1.515,64 3.138,65 26.31,66 28.994,67 21.638,68 5.308,69 2.302,70 23.968,71 5.26}
{0 CHEMBL1630115,3 2,4 27.662,7 102.16,9 1,11 0.4,12 7,13 8.93,14 8.93,15 5.903,16 6,18 1,19 1,20 -0.265,22 55.22,23 1,25 9,27 0.532,28 3.325,29 156.722,30 0.419,31 12.918,32 1.013,34 17.288,35 2,36 0.232,37 4.55,38 4.55,39 1,40 6.556,41 6.556,43 17.629,44 4.423,45 17.261,46 3.883,48 25.343,49 1.025,50 16.563,51 5.03,52 13.472,53 5.163,54 23.531,55 1,56 21.725,57 27.161,59 1.964,60 2,62 1.509,64 3.136,65 26.31,66 28.984,67 21.62,68 5.308,69 2.302,70 23.948,71 5.208}
{0 CHEMBL1630116,3 2,4 30.264,7 102.16,9 1,11 0.4,12 7,13 8.93,14 8.93,15 5.927,16 6,17 0.149,18 1,19 1,20 -0.084,22 60.289,23 1,25 9,27 0.55,28 3.496,29 156.722,30 0.429,31 12.918,32 0.994,34 17.288,35 2,36 0.228,37 4.55,38 4.55,39 1,40 6.556,41 6.556,43 17.629,44 4.461,45 17.261,46 3.879,48 25.343,49 1.043,50 16.563,51 5.03,52 13.455,53 5.163,54 23.531,55 1,56 21.725,57 27.161,59 1.971,60 2,62 1.516,64 3.137,65 29.232,66 28.984,67 21.62,68 5.308,69 3.306,70 23.948,71 4.569}
{0 CHEMBL1630117,4 23.207,7 109.51,8 98.717,11 0.4,12 4,13 9.302,14 9.302,16 8,18 1,20 -0.743,22 54.233,23 2,25 11,27 0.876,28 2.49,29 176.138,30 0.615,31 12.788,32 1.096,33 4.595,34 28.186,35 1,36 0.447,37 4.555,38 4.555,39 1,40 6.558,41 6.558,43 17.629,44 4.107,45 17.272,46 3.855,48 25.305,49 0.593,50 16.547,51 4.905,52 13.322,53 5.176,54 23.484,55 1,56 21.668,57 27.131,58 2,59 1.767,62 1.38,64 3.153,65 29.292,66 28.961,67 21.619,68 5.165,69 2.993,70 23.957,71 5.699}
{0 CHEMBL1630118,4 23.207,7 124.61,8 98.717,11 0.4,12 3,13 9.302,14 9.302,16 5,18 1,20 -0.557,22 77.329,23 1,24 1.259,25 10,27 0.66,28 3.032,29 166.63,30 0.522,31 12.788,32 1.06,33 4.595,34 20.005,35 1,36 0.378,37 4.555,38 4.555,39 1,40 6.558,41 6.558,43 17.629,44 4.153,45 17.272,46 3.949,48 25.305,49 0.652,50 16.547,51 4.905,52 13.322,53 5.191,54 23.484,55 1,56 21.668,57 27.131,59 1.727,62 1.38,64 3.153,65 27.352,66 28.961,67 21.619,68 5.165,69 2.993,70 23.957,71 5.538}
{0 CHEMBL1682341,4 13.601,6 1,7 59.39,8 99.611,12 1,13 8.731,14 8.731,16 4,22 15.951,25 9,26 1.796,27 0.158,28 1.502,29 49.867,30 0.162,31 12.231,32 0.865,33 5.283,34 13.915,35 1,36 0.061,37 4.47,38 4.47,40 6.306,41 6.306,42 1,43 16.915,44 3.108,45 16.128,46 3.728,48 24.538,49 0.404,50 15.852,51 4.29,52 12.78,53 5.045,54 22.736,55 1,56 20.939,57 26.344,58 1,59 1.606,61 1,62 1.062,64 2.697,65 8.126,66 28.154,67 20.781,68 4.559,69 1.36,70 23.067,71 5.1}
{0 CHEMBL1682345,4 8.381,6 1,7 59.39,8 99.611,12 1,13 8.731,14 8.731,16 3,22 15.951,25 9,26 1.851,27 0.149,28 1.504,29 49.867,30 0.202,31 12.231,32 0.865,33 5.283,34 13.915,36 0.08,37 4.47,38 4.47,40 6.306,41 6.306,42 1,43 16.915,44 3.111,45 16.128,46 3.723,48 24.538,49 0.406,50 15.852,51 4.29,52 12.78,53 5.033,54 22.736,55 1,56 20.939,57 26.344,58 1,59 1.643,61 1,62 1.065,64 2.642,65 8.339,66 28.154,67 20.781,68 4.559,69 1.043,70 23.067,71 5.1}
{0 CHEMBL1682346,4 11.544,5 2,6 1,7 85.41,8 104.757,12 1,13 9.05,14 9.05,15 5.871,16 4,19 2,21 1,22 18.279,25 9,26 1.827,27 0.194,28 1.585,29 82.764,30 0.269,31 12.343,32 0.792,33 5.352,34 11.771,36 0.109,37 4.56,38 4.56,40 6.522,41 6.522,42 1,43 17.281,44 3.193,45 16.761,46 3.726,48 24.874,49 0.415,50 16.187,51 4.369,52 12.896,53 5.11,54 23.042,55 1,56 21.217,57 26.711,58 1,59 1.695,60 1,61 1,62 1.07,64 2.69,65 9.57,66 28.551,67 21.24,68 4.691,69 1.043,70 23.577,71 5.1}
{0 CHEMBL1682357,4 7.276,7 54.71,8 99.611,12 1,13 8.731,14 8.731,16 5,22 21.828,25 7,27 0.171,28 1.544,29 45.994,30 0.174,31 12.231,32 0.97,33 5.283,34 7.593,36 0.028,37 4.47,38 4.47,40 6.306,41 6.306,42 1,43 16.915,44 3.122,45 16.128,46 3.724,48 24.538,49 0.405,50 15.852,51 4.29,52 12.78,53 5.037,54 22.736,56 20.939,57 26.344,58 1,59 1.604,61 1,62 1.062,64 2.644,65 7.26,66 28.154,67 20.781,68 4.559,69 1.36,70 23.067,71 5.1}
{0 CHEMBL1682359,4 3.638,7 54.71,8 77.301,12 1,13 8.706,14 8.706,16 5,22 21.177,25 7,27 0.183,28 1.132,29 45.994,30 0.118,31 12.027,32 1.146,33 5.283,34 7.593,36 0.043,37 4.469,38 4.469,40 6.305,41 6.305,42 1,43 16.829,44 2.817,45 16.12,46 3.348,48 24.455,49 0.404,50 15.756,51 4.06,52 12.598,53 5.034,54 22.644,56 20.838,57 26.268,58 1,59 1.481,61 1,62 0.961,64 2.413,65 8.516,66 28.084,67 20.717,68 4.407,70 23.008,71 5.1}
{0 CHEMBL1682360,4 10.227,7 57.95,8 99.611,13 8.731,14 8.731,16 6,22 30.029,25 7,27 0.294,28 1.994,29 45.994,30 0.241,31 12.231,32 1.172,33 5.283,34 7.593,36 0.101,37 4.47,38 4.47,40 6.306,41 6.306,42 1,43 16.915,44 3.196,45 16.128,46 3.652,48 24.538,49 0.569,50 15.852,51 4.29,52 12.676,53 5.053,54 22.736,56 20.939,57 26.344,58 1,59 1.639,61 1,62 1.234,63 1,64 2.688,65 11.25,66 28.154,67 20.781,68 4.477,69 1.605,70 23.067,71 5.1}
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{0 CHEMBL1738758,1 1,4 37.599,6 1,7 134.66,8 79.186,10 1,11 0.8,12 5,13 10.399,14 10.399,15 5.515,16 7,17 0.8,18 1,19 1,20 -0.691,22 47.6,23 3,25 10,26 1.469,27 1.041,28 3.548,29 206.84,30 1.623,31 13.087,32 1.091,33 4.844,34 4.656,35 1,36 1.548,37 4.697,38 4.697,39 1,40 7.05,41 7.05,43 18.656,44 4.198,45 19.653,46 3.697,48 26.083,49 0.825,50 17.492,51 5.209,52 13.42,53 5.401,54 24.197,55 1,56 22.319,57 27.975,58 4,59 1.848,60 1,62 1.541,63 2,64 3.279,65 191.061,66 29.872,67 22.854,68 5.215,69 5.542,70 25.321,71 8.699}
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{0 CHEMBL1774340,1 1,4 43.225,6 1,7 117.67,8 86.86,10 1,11 0.8,12 5,13 10.399,14 10.399,15 5.65,16 9,17 0.8,18 1,19 1,20 -0.613,22 52.24,23 2,25 11,26 1.75,27 0.979,28 3.798,29 164.156,30 1.413,31 13.112,32 1.163,33 4.844,34 4.656,35 1,36 1.569,37 4.697,38 4.697,39 1,40 7.05,41 7.05,43 18.658,44 4.413,45 19.653,46 3.702,48 26.085,49 0.843,50 17.495,51 5.247,52 13.437,53 5.401,54 24.201,55 1,56 22.324,57 27.976,58 4,59 1.898,60 1,62 1.548,63 3,64 3.279,65 189.348,66 29.873,67 22.854,68 5.247,69 5.542,70 25.321,71 6.554}
{0 CHEMBL178737,4 24.126,6 1,7 104.94,8 208.195,11 0.86,12 6,13 11.552,14 11.552,16 10,17 0.8,20 -0.175,22 55.33,23 1,25 11,26 2.099,27 0.77,28 3.996,29 103.22,30 0.796,31 13.316,32 0.959,33 5.938,34 32.719,35 2,36 0.581,37 4.831,38 4.831,39 1,40 7.195,41 7.195,43 18.94,44 4.382,45 20.512,46 3.766,47 1,48 26.432,49 0.928,50 17.748,51 5.425,52 13.633,53 5.522,54 24.514,55 4,56 22.603,57 28.355,58 3,59 1.867,62 1.54,63 2,64 3.353,65 32.366,66 30.283,67 23.348,68 5.338,69 3.033,70 25.868,71 5.1}
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{0 CHEMBL1793891,1 1,4 33.546,7 125.29,8 73.011,10 1,11 0.8,12 4,13 10.399,14 10.399,15 5.417,16 6,17 0.8,18 1,19 1,20 -0.621,22 45.494,23 3,25 9,27 0.995,28 3.117,29 164.156,30 1.165,31 12.963,32 1.264,33 4.727,34 4.656,35 1,36 1.446,37 4.61,38 4.61,39 1,40 6.872,41 6.872,43 18.436,44 3.97,45 18.957,46 3.692,48 25.905,49 0.688,50 17.293,51 5.063,52 13.339,53 5.319,54 24.036,55 1,56 22.174,57 27.777,58 3,59 1.809,60 1,62 1.428,63 1,64 3.238,65 178.097,66 29.654,67 22.52,68 5.139,69 5.542,70 24.934,71 8.398}
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{0 CHEMBL1793893,1 1,4 38.289,6 1,7 114.43,8 76.911,10 1,11 0.8,12 5,13 10.399,14 10.399,15 5.536,16 8,17 0.8,18 1,19 1,20 -0.617,22 47.6,23 2,25 11,26 1.663,27 0.891,28 3.546,29 164.156,30 1.401,31 13.072,32 1.105,33 4.844,34 4.656,35 1,36 1.477,37 4.696,38 4.696,39 1,40 7.049,41 7.049,43 18.653,44 4.172,45 19.646,46 3.696,48 26.081,49 0.825,50 17.489,51 5.176,52 13.417,53 5.4,54 24.196,55 1,56 22.317,57 27.973,58 4,59 1.845,60 1,62 1.54,63 2,64 3.278,65 182.466,66 29.87,67 22.85,68 5.215,69 5.542,70 25.316,71 8.222}
{0 CHEMBL1793894,1 1,4 39.756,5 1,6 1,7 123.66,8 81.64,10 1,11 0.86,12 5,13 10.399,14 10.399,15 5.579,16 7,17 0.8,18 1,19 1,20 -0.645,22 52.192,23 2,25 10,26 1.625,27 1.015,28 3.628,29 175.156,30 1.595,31 13.095,32 1.111,33 4.844,34 4.656,35 1,36 1.628,37 4.697,38 4.697,39 2,40 7.05,41 7.05,43 18.657,44 4.28,45 19.653,46 3.698,48 26.083,49 0.825,50 17.493,51 5.226,52 13.421,53 5.401,54 24.198,55 1,56 22.319,57 27.975,58 5,59 1.859,60 1,62 1.547,63 3,64 3.279,65 191.592,66 29.872,67 22.854,68 5.215,69 5.542,70 25.321,71 7.824}
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{0 CHEMBL1922224,4 13.304,7 40.46,8 65.313,13 9.466,14 9.466,22 24.113,27 0.337,28 4.632,29 85.367,30 0.281,31 12.753,32 1.004,33 4.844,36 0.157,37 4.659,38 4.659,40 7.92,41 7.92,43 19.493,44 4.473,45 23.406,46 3.643,48 27.009,49 0.999,50 18.21,51 4.615,52 12.97,53 5.657,54 24.97,56 22.939,57 29.055,59 1.84,62 1.499,64 2.885,65 19.907,66 31.107,67 24.313,68 4.62,70 27.016,71 4}
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{0 CHEMBL1933575,1 1,4 5.987,7 110.68,8 39.053,13 7.92,14 7.92,15 10.553,16 3,19 1,20 -0.487,22 15.303,23 1,25 2,27 0.271,28 0.683,29 124.51,30 0.16,31 11.714,32 0.599,33 4.595,34 16.427,35 1,36 0.194,37 4.355,38 4.355,40 6.246,41 6.246,42 1,43 16.511,44 2.215,45 15.807,46 3.211,48 24.207,50 15.452,51 3.638,52 12.354,53 5.025,54 22.407,55 1,56 20.611,57 26.01,58 1,59 1.309,60 1,61 1,62 0.57,64 2.4,65 25.334,66 27.816,67 20.348,68 4.205,69 1.96,70 22.626,71 5}
{0 CHEMBL1933576,1 1,4 31,6 1,7 101.54,8 95.25,10 1,11 0.8,12 3,13 10.284,14 10.284,15 5.347,16 8,17 0.8,18 1,20 -0.58,22 34.483,23 2,25 6,26 1.679,27 0.854,28 2.581,29 147.493,30 1.242,31 12.757,32 1.216,33 4.727,34 16.427,35 1,36 1.45,37 4.48,38 4.48,39 1,40 6.536,41 6.536,43 18.109,44 3.986,45 17.233,46 3.695,48 25.562,49 0.803,50 16.992,51 4.804,52 13.218,53 5.152,54 23.724,55 1,56 21.89,57 27.404,58 3,59 1.805,60 1,62 1.433,63 1,64 3.209,65 172.115,66 29.249,67 22,68 5.056,69 5.542,70 24.345,71 7.824}
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{0 CHEMBL1945559,4 24.352,6 1,7 69.85,8 32.36,11 0.4,13 12.444,14 12.444,16 3,20 -0.149,22 31.646,23 1,25 5,26 1.756,27 0.424,28 3.382,29 134.502,30 0.459,31 13.071,32 0.936,33 4.949,34 4.901,36 0.226,37 4.91,38 4.91,40 7.772,41 7.772,42 1,43 19.605,44 3.586,45 23.002,46 3.641,48 27.038,49 0.672,50 18.334,51 5.075,52 13.392,53 5.672,54 25.029,56 23.027,57 29.052,58 1,59 1.529,61 1,62 1.134,64 3.468,65 25.645,66 31.07,67 24.365,68 5.017,69 5.034,70 27.029,71 5}
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{0 CHEMBL1957190,4 13.063,6 1,7 39.07,8 46.658,13 10.272,14 10.272,16 10,20 0.152,22 36.126,25 8,26 2.214,27 0.256,28 2.904,29 50.29,30 0.369,31 12.984,32 0.696,33 5.638,34 5.513,36 0.053,37 4.9,38 4.9,40 7.43,41 7.43,42 1,43 19.103,44 3.509,45 21.616,46 3.461,48 26.376,49 0.606,50 17.849,51 5.037,52 13.184,53 5.581,54 24.416,56 22.463,57 28.343,59 1.543,61 1,62 1.195,63 2,64 3.162,65 10.824,66 30.314,67 23.587,68 4.832,69 2.555,70 26.198,71 4.456}
{0 CHEMBL1958401,4 14.183,7 70.67,11 0.268,12 2,13 7.686,14 7.686,16 5,20 1.107,22 25.219,23 1,25 3,27 0.276,28 1.844,29 58.716,30 0.323,31 11.949,32 0.94,34 1.899,36 0.182,37 4.328,38 4.328,40 6.203,41 6.203,42 1,43 16.397,44 3.384,45 15.602,46 3.595,48 24.062,49 0.614,50 15.363,51 4.025,52 12.323,53 4.992,54 22.28,56 20.505,57 25.848,59 1.444,61 1,62 1.062,63 1,64 2.753,65 20.251,66 27.64,67 20.25,68 4.034,69 2.416,70 22.529,71 5.4}
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{0 CHEMBL1964261,1 1,2 1,3 4,4 28.082,5 1,6 1,7 110.85,8 177.711,9 1,10 1,11 0.86,12 4,13 10.031,14 10.031,15 5.669,16 11,17 0.8,18 2,19 1,20 -0.549,21 1,22 68.964,23 1,24 1.256,25 7,26 1.909,27 0.756,28 2.968,29 135.976,30 0.475,31 12.797,32 1.179,33 5.416,34 3.503,35 1,36 0.342,37 4.64,38 4.64,39 2,40 6.752,41 6.752,43 18.022,44 4.245,45 18.337,46 3.987,47 1,48 25.627,49 0.805,50 16.893,51 4.86,52 13.258,53 5.316,54 23.764,55 1,56 21.905,57 27.495,58 1,59 1.749,60 1,62 1.594,63 4,64 3.244,65 34.392,66 29.367,67 22.15,68 5.075,69 2.302,70 24.552,71 8.398}
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{0 CHEMBL1964263,1 1,2 1,3 3,4 33.181,5 1,6 1,7 119.64,8 187.352,9 1,10 1,11 0.98,12 5,13 11.077,14 11.077,15 5.597,16 11,17 0.86,18 2,19 1,20 -0.734,21 1,22 68.697,23 2,24 1.081,25 8,26 1.781,27 1.031,28 3.596,29 141.708,30 0.806,31 12.998,32 1.176,33 5.416,34 3.503,35 1,36 1.032,37 4.641,38 4.641,39 2,40 7.279,41 7.279,43 18.839,44 4.283,45 20.104,46 3.916,47 1,48 26.372,49 0.825,50 17.655,51 4.99,52 13.462,53 5.456,54 24.445,55 1,56 22.526,57 28.305,58 1,59 1.754,60 1,62 1.44,63 3,64 3.271,65 159.326,66 30.244,67 23.081,68 5.215,69 5.335,70 25.574,71 8.523}
{0 CHEMBL1964264,1 1,2 1,3 4,4 30.742,5 1,6 1,7 110.85,8 182.424,9 1,10 1,11 0.86,12 4,13 10.032,14 10.032,15 5.706,16 13,17 0.8,18 2,19 1,20 -0.542,21 1,22 71.547,23 1,24 1.27,25 9,26 1.938,27 0.803,28 3.77,29 135.976,30 0.487,31 12.898,32 1.127,33 5.476,34 3.503,35 1,36 0.293,37 4.64,38 4.64,39 2,40 6.752,41 6.752,43 18.055,44 4.359,45 18.339,46 3.99,47 1,48 25.66,49 0.818,50 16.93,51 5.004,52 13.3,53 5.317,54 23.801,55 1,56 21.949,57 27.523,58 1,59 1.849,60 1,62 1.594,63 4,64 3.255,65 34.292,66 29.391,67 22.168,68 5.112,69 2.302,70 24.566,71 8.523}
{0 CHEMBL1964265,1 1,2 1,3 4,4 30.742,5 1,6 1,7 110.85,8 182.424,9 1,10 1,11 0.86,12 4,13 10.032,14 10.032,15 5.706,16 13,17 0.8,18 2,19 1,20 -0.542,21 1,22 71.547,23 1,24 1.27,25 9,26 1.938,27 0.803,28 3.77,29 135.976,30 0.487,31 12.898,32 1.127,33 5.476,34 3.503,35 1,36 0.293,37 4.64,38 4.64,39 2,40 6.752,41 6.752,43 18.055,44 4.359,45 18.339,46 3.99,47 1,48 25.66,49 0.818,50 16.93,51 5.004,52 13.3,53 5.317,54 23.801,55 1,56 21.949,57 27.523,58 1,59 1.849,60 1,62 1.594,63 4,64 3.255,65 34.292,66 29.391,67 22.168,68 5.112,69 2.302,70 24.566,71 8.398}
{0 CHEMBL1964290,1 1,3 2,4 9.269,7 110.68,8 60.596,12 3,13 9.296,14 9.296,15 11.173,16 3,19 2,20 -0.495,22 27.616,23 1,25 2,27 0.2,28 1.648,29 124.51,30 0.248,31 12.474,32 0.876,33 4.727,34 7.413,35 1,36 0.175,37 4.601,38 4.601,40 6.831,41 6.831,42 1,43 17.823,44 3.606,45 18.726,46 3.654,48 25.431,49 0.561,50 16.681,51 4.477,52 12.987,53 5.297,54 23.557,55 1,56 21.689,57 27.31,58 1,59 1.593,60 1,61 1,62 1.285,64 2.901,65 29.426,66 29.193,67 22.004,68 4.796,69 1.96,70 24.44,71 5.2}
{0 CHEMBL1964307,3 1,4 16.003,7 83.8,8 62.779,12 1,13 8.171,14 8.171,15 5.999,16 2,19 3,20 -0.033,22 29.783,25 3,27 0.14,28 2.104,29 74.705,30 0.184,31 12.515,32 0.952,33 4.727,34 4.472,36 0.121,37 4.661,38 4.661,40 6.879,41 6.879,42 1,43 17.698,44 3.666,45 18.697,46 3.797,48 25.319,49 0.6,50 16.564,51 4.5,52 13.07,53 5.224,54 23.44,56 21.571,57 27.206,59 1.697,60 1,61 1,62 1.298,64 2.758,65 16.611,66 29.1,67 22.022,68 4.902,69 3.497,70 24.475,71 5.1}
{0 CHEMBL1964399,4 31.33,7 121.45,11 0.6,12 5,13 11.24,14 11.24,16 7,17 0.6,18 2,20 -0.085,22 22.984,23 4,25 6,27 0.691,28 1.667,29 174.509,30 0.867,31 12.68,32 0.907,34 4.227,35 2,36 0.38,37 4.687,38 4.687,39 2,40 7.079,41 7.079,42 1,43 18.69,44 3.929,45 19.75,46 3.724,48 26.152,49 0.706,50 17.512,51 4.554,52 13.303,53 5.405,54 24.232,55 2,56 22.318,57 28.077,58 2,59 1.811,61 1,62 1.499,63 1,64 3.207,65 35.805,66 30.006,67 22.743,68 4.987,69 1.72,70 25.215,71 6.7}
{0 CHEMBL1964413,4 15.723,6 1,7 59.39,8 153.472,11 0.522,12 1,13 11.564,14 11.564,16 3,22 22.322,25 9,26 1.146,27 1.554,28 1.908,29 139.627,30 1.156,31 12.748,32 0.844,33 5.283,34 13.915,36 1.486,37 4.612,38 4.612,40 7.278,41 7.278,43 18.984,44 3.307,45 19.924,46 3.781,48 26.498,49 0.406,50 17.788,51 4.745,52 13.395,53 5.347,54 24.552,55 1,56 22.613,57 28.447,58 1,59 1.645,61 1,62 1.302,64 3.058,65 254.956,66 30.401,67 23.157,68 5.139,69 5.335,70 25.648,71 5.1}
{0 CHEMBL1964444,4 18.603,7 66.91,11 0.247,12 3,13 10.313,14 10.313,16 5,20 -0.694,22 20.02,23 2,25 3,27 0.687,28 1.562,29 103.596,30 0.861,31 12.366,32 0.747,34 6.604,36 0.87,37 4.524,38 4.524,40 7.116,41 7.116,42 1,43 18.288,44 3.312,45 18.669,46 3.51,48 25.85,49 0.325,50 17.118,51 4.304,52 13.05,53 5.229,54 23.926,56 22.01,57 27.778,58 1,59 1.575,61 1,62 1.106,63 1,64 3.068,65 136.443,66 29.712,67 22.412,68 4.879,69 5.335,70 24.861,71 5.1}
{0 CHEMBL1964644,4 16.902,7 128.08,8 59.23,11 0.564,12 5,13 7.098,14 7.098,16 2,17 0.133,20 -0.451,21 1,22 42.275,23 2,24 0.809,25 2,27 0.524,28 1.074,29 92.677,30 0.441,31 11.659,32 0.822,33 4.595,34 4.276,35 2,36 0.36,37 4.31,38 4.31,40 6.005,41 6.005,42 1,43 16.013,44 2.872,45 14.506,46 3.529,48 23.718,49 0.218,50 15.01,51 3.526,52 12.418,53 4.871,54 21.971,55 1,56 20.229,57 25.47,58 1,59 1.441,61 1,62 0.918,63 3,64 2.727,65 44.578,66 27.226,67 19.584,68 4.35,69 4.612,70 21.775,71 5.1}
{0 CHEMBL1964687,4 25.444,7 121.17,8 46.891,10 1,12 1,13 9.349,14 9.349,15 6.162,16 3,19 2,20 -0.255,22 68.64,23 1,24 1.685,25 2,27 0.162,28 3.764,29 91.613,30 0.404,31 12.903,32 0.691,33 4.844,34 7.962,36 0.244,37 4.774,38 4.774,40 7.107,41 7.107,42 1,43 18.355,44 3.777,45 19.834,46 3.833,48 25.806,49 0.719,50 17.175,51 5.011,52 13.313,53 5.461,54 23.901,55 1,56 22.006,57 27.721,59 1.706,60 1,61 1,62 1.285,64 2.921,65 23.622,66 29.643,67 22.727,68 5.165,69 2.912,70 25.247,71 5.5}
{0 CHEMBL1964692,4 22.502,6 1,7 97.86,8 75.198,9 1,11 0.247,13 11.69,14 11.69,15 6.026,16 3,19 1,20 -0.66,22 26.391,25 4,26 1.648,27 0.789,28 2.103,29 136.371,30 0.924,31 12.753,32 0.796,33 4.844,34 8.748,35 1,36 0.936,37 4.726,38 4.726,40 7.116,41 7.116,42 1,43 18.668,44 3.654,45 19.198,46 3.806,48 26.199,49 0.358,50 17.488,51 4.663,52 13.361,53 5.312,54 24.273,56 22.352,57 28.131,59 1.759,60 1,61 1,62 1.387,63 1,64 3.315,65 140.269,66 30.067,67 22.896,68 5.147,69 5.335,70 25.373,71 5.1}
{0 CHEMBL1964777,1 1,3 2,4 10.922,7 93.45,8 38.467,12 1,13 8.057,14 8.057,15 5.261,16 3,18 1,19 1,20 -0.497,22 60.267,24 1.242,25 6,27 0.458,28 1.735,29 100.788,30 0.375,31 12.223,32 1.493,33 4.727,34 17.064,36 0.227,37 4.586,38 4.586,39 1,40 6.586,41 6.586,42 1,43 17.275,44 3.183,45 17.433,46 3.506,48 24.822,49 0.14,50 16.164,51 4.277,52 12.805,53 5.209,54 22.983,56 21.151,57 26.666,58 2,59 1.235,60 2,61 1,62 0.932,64 2.949,65 27.117,66 28.516,67 21.28,68 4.677,69 1.96,70 23.657,71 6.2}
{0 CHEMBL1964804,4 6.915,7 89.56,12 2,13 9.605,14 9.605,16 4,18 1,22 23.459,25 5,27 0.293,28 1.738,29 88.884,30 0.173,31 12.18,32 0.961,36 0.398,37 4.622,38 4.622,39 1,40 6.394,41 6.394,42 1,43 17.543,44 3.516,45 16.411,46 3.79,48 24.983,49 0.537,50 16.444,51 4.248,52 13.134,53 5.089,54 23.156,55 1,56 21.331,57 26.813,59 1.607,61 1,62 1.096,64 2.866,65 56.078,66 28.644,67 21.371,68 5.037,69 1.72,70 23.668,71 5.1}
{0 CHEMBL1965131,1 1,3 2,4 14.937,7 100.43,8 50.849,12 1,13 8.853,14 8.853,15 5.445,16 1,19 1,20 -0.99,22 61.493,23 1,24 1.162,25 3,27 0.439,28 2.808,29 161.484,30 0.564,31 12.579,32 0.994,33 4.844,34 2.104,36 0.218,37 4.751,38 4.751,40 7.014,41 7.014,42 1,43 18.149,44 3.652,45 19.386,46 3.873,48 25.658,49 0.231,50 16.974,51 4.585,52 13.134,53 5.395,54 23.761,56 21.872,57 27.562,58 1,59 1.542,60 1,61 1,62 1.06,64 3.398,65 30.18,66 29.471,67 22.424,68 4.987,69 2.117,70 24.916,71 5.1}
{0 CHEMBL1965351,4 25.518,7 84.76,11 0.8,12 9,13 7.464,14 7.464,16 8,18 1,22 38.693,23 3,25 4,27 0.463,28 2.032,29 89.019,30 0.639,31 12.288,32 1.033,34 9.042,36 0.403,37 4.267,38 4.267,39 2,40 6.21,41 6.21,42 1,43 16.566,44 3.885,45 15.631,46 3.801,48 24.252,49 0.814,50 15.552,51 4.394,52 12.691,53 4.979,54 22.488,55 4,56 20.732,57 26.022,58 2,59 1.836,61 1,62 1.376,63 3,64 2.769,65 32.207,66 27.798,67 20.38,68 4.477,69 1.72,70 22.64,71 5.1}
{0 CHEMBL1965423,3 1,4 7.489,5 1,6 1,7 89.38,8 180.895,12 4,13 10.967,14 10.967,15 6.18,16 7,19 3,22 60.576,24 1.574,25 12,26 2.062,27 0.347,28 3.111,29 81.428,30 0.314,31 12.971,32 1.168,33 5.861,34 43.403,36 0.2,37 4.755,38 4.755,40 7.025,41 7.025,43 18.491,44 4.116,45 19.428,46 3.847,47 2,48 25.953,49 0.623,50 17.315,51 5.043,52 13.406,53 5.432,54 24.05,55 2,56 22.155,57 27.861,58 2,59 1.72,62 1.266,64 2.907,65 19.168,66 29.774,67 22.793,68 5.207,70 25.28,71 5.1}
{0 CHEMBL1965495,4 5.75,7 65.36,8 33.457,13 8.566,14 8.566,16 4,22 16.602,25 4,27 0.113,28 1.421,29 64.508,30 0.165,31 12.32,32 0.462,33 4.727,34 2.757,36 0.059,37 4.726,38 4.726,40 7.027,41 7.027,42 1,43 17.921,44 2.705,45 19.369,46 3.452,48 25.51,49 0.18,50 16.742,51 4.263,52 12.89,53 5.324,54 23.591,55 1,56 21.678,57 27.434,58 1,59 1.37,61 1,62 1.012,63 1,64 2.661,65 9.811,66 29.363,67 22.423,68 4.559,69 4.069,70 24.928,71 5.1}
{0 CHEMBL1965507,3 2,4 24.83,7 150.27,8 75.098,9 1,10 1,11 0.247,12 1,13 7.934,14 7.934,15 5.892,16 4,19 1,20 -0.654,22 60.117,23 1,24 1.331,25 3,27 0.375,28 2.319,29 116.758,30 0.375,31 12.555,32 1.054,33 4.727,34 18.375,35 3,36 0.315,37 4.659,38 4.659,40 6.87,41 6.87,42 1,43 17.704,44 3.787,45 18.549,46 3.828,48 25.312,49 0.613,50 16.574,51 4.511,52 13.132,53 5.293,54 23.44,55 1,56 21.579,57 27.193,59 1.662,60 1,61 1,62 1.287,64 3.033,65 26.629,66 29.083,67 21.974,68 4.987,69 2.912,70 24.422,71 5.1}
{0 CHEMBL1965570,4 14.841,5 1,7 121.42,8 153.413,12 3,13 9.592,14 9.592,15 6.219,16 4,19 3,20 -0.526,22 68.577,24 1.588,25 3,27 0.373,28 3.014,29 99.295,30 0.335,31 12.829,32 0.962,33 5.283,34 57.623,36 0.288,37 4.746,38 4.746,40 7.012,41 7.012,42 1,43 18.171,44 3.85,45 19.529,46 3.831,48 25.764,49 0.553,50 17.014,51 4.868,52 13.319,53 5.392,54 23.874,56 21.992,57 27.661,59 1.612,60 1,61 1,62 1.309,64 3.088,65 22.836,66 29.564,67 22.521,68 5.085,69 2.912,70 25.001,71 5.1}
{0 CHEMBL1965589,4 15.053,7 88.23,8 59.576,12 2,13 12.096,14 12.096,16 4,22 43.244,25 5,27 0.837,28 2.188,29 139.746,30 0.623,31 12.963,32 0.994,33 6.138,34 46.347,35 3,36 0.345,37 4.774,38 4.774,40 7.084,41 7.084,42 1,43 19.015,44 4.056,45 19.882,46 3.831,47 1,48 26.334,49 0.815,50 17.813,51 4.99,52 13.441,53 5.431,54 24.408,55 2,56 22.486,57 28.266,58 2,59 1.662,61 1,62 1.319,63 1,64 3.132,65 31.591,66 30.201,67 23.266,68 5.19,69 0.8,70 25.772,71 5.1}
{0 CHEMBL1965631,4 18.24,6 1,7 91.73,8 141.952,11 0.522,12 1,13 9.11,14 9.11,16 4,17 0.163,20 -0.102,21 1,22 25.089,23 1,25 9,26 1.81,27 0.345,28 1.858,29 75.011,30 0.363,31 12.52,32 0.99,33 5.352,34 11.771,35 1,36 0.267,37 4.575,38 4.575,40 6.573,41 6.573,42 1,43 17.411,44 3.74,45 17.213,46 3.733,48 24.988,49 0.605,50 16.314,51 4.605,52 13.013,53 5.144,54 23.157,55 1,56 21.334,57 26.825,58 2,59 1.728,61 1,62 1.371,64 2.96,65 18.526,66 28.667,67 21.417,68 4.844,69 3.43,70 23.774,71 5.1}
{0 CHEMBL1965660,1 1,3 2,4 9.189,7 110.68,8 61.679,12 4,13 9.095,14 9.095,15 11.057,16 3,19 2,20 -0.587,22 28.246,23 1,25 2,27 0.461,28 1.698,29 202.808,30 0.446,31 12.455,32 0.964,33 4.727,34 7.413,35 1,36 0.247,37 4.586,38 4.586,40 6.794,41 6.794,42 1,43 17.723,44 3.469,45 18.456,46 3.693,48 25.311,49 0.169,50 16.586,51 4.489,52 12.959,53 5.269,54 23.443,55 1,56 21.582,57 27.184,58 1,59 1.574,60 1,61 1,62 1.017,64 2.925,65 28.916,66 29.062,67 21.89,68 4.796,69 1.96,70 24.318,71 5.1}
{0 CHEMBL1965836,3 2,4 16.206,7 86.05,8 83.142,11 0.394,12 2,13 10.203,14 10.203,15 6.128,16 6,18 2,19 2,22 34.644,25 9,27 0.683,28 2.243,29 133.226,30 1.035,31 12.593,32 0.872,33 4.727,34 2.757,36 1.245,37 4.558,38 4.558,39 2,40 6.522,41 6.522,43 17.921,44 3.841,45 16.757,46 3.799,48 25.338,49 0.733,50 16.81,51 4.615,52 13.179,53 5.157,54 23.503,56 21.673,57 27.178,59 1.773,60 1,62 1.287,64 2.992,65 166.141,66 29.021,67 21.785,68 5.027,69 5.542,70 24.119,71 5.1}
{0 CHEMBL1965845,4 19.002,7 70.25,8 67.54,11 0.748,12 3,13 9.024,14 9.024,16 6,17 0.522,18 1,20 1.204,22 30.11,25 5,27 0.273,28 2.429,29 52.93,30 0.42,31 12.535,32 0.887,33 4.727,34 16.047,35 1,36 0.314,37 4.59,38 4.59,39 1,40 6.707,41 6.707,42 1,43 17.593,44 3.864,45 18.019,46 3.722,48 25.281,49 0.696,50 16.488,51 4.543,52 13.003,53 5.184,54 23.433,55 1,56 21.59,57 27.135,59 1.726,61 1,62 1.368,64 3.094,65 26.32,66 28.993,67 21.742,68 4.771,69 2.988,70 24.128,71 5.1}
{0 CHEMBL1965910,4 26.71,5 1,6 1,7 69.2,8 170.388,10 2,12 10,13 9.346,14 9.346,15 6.412,16 13,18 1,19 1,22 45.427,23 2,25 11,26 2.362,27 0.413,28 4.116,29 77.468,30 0.506,31 12.949,32 0.99,33 5.352,34 14.099,36 0.283,37 4.762,38 4.762,39 1,40 7.05,41 7.05,43 18.292,44 4.378,45 19.682,46 3.805,48 25.818,49 1.037,50 17.124,51 5.069,52 13.225,53 5.385,54 23.926,55 2,56 22.042,57 27.719,58 1,59 1.905,60 1,62 1.522,63 1,64 3.007,65 26.39,66 29.625,67 22.628,68 4.945,69 2.302,70 25.119,71 5.1}
{0 CHEMBL1965988,3 1,4 22.195,7 134.3,8 72.685,11 0.247,12 1,13 8.756,14 8.756,15 11.669,16 2,19 4,20 -0.295,22 61.562,24 1.574,25 2,27 0.122,28 2.847,29 107.725,30 0.231,31 12.679,32 0.93,33 4.727,34 53.182,36 0.21,37 4.732,38 4.732,40 6.972,41 6.972,42 1,43 17.969,44 3.909,45 19.202,46 3.805,48 25.535,49 0.631,50 16.814,51 4.736,52 13.261,53 5.357,54 23.646,56 21.767,57 27.432,59 1.698,60 2,61 1,62 1.362,64 2.881,65 27.305,66 29.336,67 22.309,68 4.997,69 2.912,70 24.789,71 5.1}
{0 CHEMBL1966035,4 16.158,7 78.07,12 2,13 8.561,14 8.561,16 6,20 0.184,22 11.456,23 2,25 2,27 0.281,28 1.315,29 135.723,30 0.367,31 12.307,32 0.893,36 0.074,37 4.681,38 4.681,40 6.957,41 6.957,42 1,43 18.017,44 3.441,45 19.657,46 3.707,48 25.411,49 0.218,50 16.843,51 4.111,52 12.879,53 5.3,54 23.508,56 21.612,57 27.321,59 1.584,61 1,62 1.047,63 1,64 2.665,65 14.095,66 29.236,67 22.136,68 4.407,69 1.59,70 24.636,71 5.2}
{0 CHEMBL1966069,4 14.706,6 2,7 90.1,8 158.542,12 2,13 9.631,14 9.631,16 5,22 16.625,25 12,26 3.573,27 0.385,28 1.733,29 83.07,30 0.237,31 12.555,32 1.024,33 5.733,34 16.059,35 1,36 0.176,37 4.534,38 4.534,40 6.536,41 6.536,42 1,43 17.532,44 3.194,45 17.063,46 3.788,48 25.148,49 0.405,50 16.437,51 4.595,52 13.121,53 5.097,54 23.311,55 2,56 21.479,57 26.989,58 3,59 1.662,61 1,62 1.117,63 3,64 2.808,65 9.34,66 28.833,67 21.553,68 4.913,69 1.043,70 23.893,71 5.1}
{0 CHEMBL1966087,4 11.026,7 47.04,8 56.338,13 7.12,14 7.12,16 5,18 1,22 18.361,25 4,27 0.147,28 1.142,29 44.571,30 0.097,31 11.75,32 0.881,33 4.443,36 0.115,37 4.122,38 4.122,39 1,40 5.689,41 5.689,42 1,43 15.606,44 3.346,45 13.763,46 3.646,48 23.297,49 0.445,50 14.664,51 3.784,52 12.163,53 4.812,54 21.599,56 19.905,57 24.998,59 1.695,61 1,62 0.98,64 2.486,65 15.854,66 26.701,67 19.146,68 3.861,69 1.72,70 21.287,71 5.1}
{0 CHEMBL1966279,3 2,4 19.367,7 155.42,12 8,13 11.148,14 11.148,15 5.401,16 4,20 -0.088,22 35.962,25 12,27 0.673,28 3.229,29 144.163,30 0.474,31 12.75,32 1.08,36 0.451,37 4.85,38 4.85,40 7.297,41 7.297,43 18.683,44 4.01,45 19.798,46 3.824,48 26.303,49 0.653,50 17.499,51 4.762,52 13.506,53 5.356,54 24.365,55 1,56 22.433,57 28.248,58 2,59 1.861,62 1.426,64 3.568,65 65.473,66 30.198,67 23.042,68 5.247,69 2.117,70 25.542,71 5.1}
{0 CHEMBL1966343,3 1,4 6.8,5 1,7 80.73,8 89.696,12 1,13 9.04,14 9.04,15 5.806,16 5,19 2,22 20.971,25 7,27 0.254,28 1.274,29 78.891,30 0.185,31 12.208,32 1.192,33 5.352,34 9.921,36 0.067,37 4.56,38 4.56,40 6.522,41 6.522,42 1,43 17.245,44 3.045,45 16.761,46 3.451,48 24.832,49 0.426,50 16.144,51 4.205,52 12.765,53 5.109,54 22.995,56 21.164,57 26.673,58 1,59 1.528,60 1,61 1,62 1.16,64 2.528,65 12.81,66 28.518,67 21.211,68 4.62,70 23.552,71 5.1}
{0 CHEMBL1966425,4 27.559,7 79.63,8 153.812,11 0.8,12 4,13 9.498,14 9.498,16 7,17 0.473,18 1,20 -0.056,22 48.357,25 8,27 0.384,28 2.61,29 62.438,30 0.245,31 12.8,32 1.16,33 5.416,34 4.836,35 1,36 0.359,37 4.577,38 4.577,39 1,40 6.813,41 6.813,42 1,43 17.93,44 4.081,45 18.644,46 3.761,48 25.465,49 0.807,50 16.8,51 4.898,52 13.22,53 5.286,54 23.605,55 1,56 21.752,57 27.332,59 1.857,61 1,62 1.562,63 1,64 3.036,65 27.508,66 29.206,67 22.06,68 5.037,69 2.162,70 24.48,71 5.1}
{0 CHEMBL1966514,4 16.513,5 1,7 121.42,8 154.173,12 3,13 9.592,14 9.592,15 6.221,16 4,19 3,20 -0.456,22 68.577,24 1.593,25 3,27 0.364,28 3.002,29 99.295,30 0.356,31 12.817,32 0.888,33 5.283,34 57.623,36 0.288,37 4.746,38 4.746,40 7.012,41 7.012,42 1,43 18.133,44 3.851,45 19.529,46 3.83,48 25.703,49 0.553,50 16.973,51 4.883,52 13.3,53 5.392,54 23.811,56 21.928,57 27.603,59 1.612,60 1,61 1,62 1.309,64 2.947,65 22.101,66 29.509,67 22.491,68 5.085,69 2.912,70 24.976,71 5.1}
{0 CHEMBL1966524,3 2,4 8.592,7 105.06,8 128.076,12 1,13 9.914,14 9.914,15 6.34,16 3,18 1,19 1,22 59.413,24 1.701,25 5,27 0.226,28 3.045,29 77.468,30 0.257,31 12.621,32 1.03,33 5.416,34 16.019,36 0.112,37 4.527,38 4.527,39 1,40 6.533,41 6.533,42 1,43 17.591,44 3.822,45 17.025,46 3.785,48 25.18,49 0.698,50 16.494,51 4.654,52 13.156,53 5.174,54 23.344,56 21.514,57 27.02,59 1.859,60 1,61 1,62 1.244,64 2.894,65 17.846,66 28.865,67 21.605,68 4.956,69 1.72,70 23.952,71 5.1}
{0 CHEMBL1966628,4 12.649,5 2,7 92.51,8 45.114,12 2,13 8.137,14 8.137,15 5.963,16 5,22 22.268,23 1,25 3,27 0.28,28 2.256,29 83.254,30 0.23,31 12.361,32 1.061,33 4.727,34 13.67,36 0.185,37 4.594,38 4.594,40 6.71,41 6.71,42 1,43 17.385,44 3.537,45 18.065,46 3.669,48 25.002,49 0.76,50 16.271,51 4.407,52 12.767,53 5.207,54 23.144,55 1,56 21.295,57 26.866,59 1.634,60 2,61 1,62 1.172,64 2.564,65 19.15,66 28.737,67 21.579,68 4.543,69 0.8,70 23.988,71 5.1}
{0 CHEMBL1966703,4 19.011,7 61.27,8 38.719,11 0.765,13 11.216,14 11.216,16 4,20 1.872,22 31.588,23 1,25 4,27 0.401,28 2.805,29 91.092,30 0.608,31 12.903,32 0.766,33 4.727,34 20.045,36 0.085,37 4.72,38 4.72,40 7.218,41 7.218,42 1,43 18.888,44 3.836,45 20.396,46 3.722,48 26.265,49 0.588,50 17.68,51 4.984,52 13.222,53 5.491,54 24.337,55 1,56 22.414,57 28.198,59 1.683,61 1,62 1.237,64 3.069,65 18.105,66 30.135,67 23.252,68 4.902,69 2.346,70 25.784,71 5.1}
{0 CHEMBL1966722,4 18.538,7 105.48,11 1.214,13 7.488,14 7.488,17 0.142,20 -0.496,22 17.618,25 2,27 0.419,28 1.989,29 152.169,30 0.36,31 12.478,32 0.941,34 0.285,35 1,36 0.158,37 4.793,38 4.793,40 8.082,41 8.082,42 1,43 19.453,44 3.896,45 23.242,46 3.86,48 27.188,49 0.353,50 18.163,51 4.234,52 13.07,53 5.665,54 25.11,56 23.037,57 29.27,59 1.71,61 1,62 1.062,64 3.085,65 19.931,66 31.354,67 24.541,68 4.635,69 4.129,70 27.275,71 5.8}
{0 CHEMBL1966808,4 15.889,6 1,7 104.18,8 57.413,12 2,13 9.872,14 9.872,16 6,20 -0.237,21 1,22 62.192,23 1,24 1.687,25 9,26 1.389,27 0.291,28 3.451,29 75.379,30 0.303,31 12.842,32 0.848,33 5.476,34 5.634,36 0.254,37 4.727,38 4.727,40 7.067,41 7.067,42 1,43 18.409,44 3.461,45 19.85,46 3.669,48 25.813,49 0.548,50 17.218,51 4.984,52 13.1,53 5.473,54 23.906,55 3,56 22.007,57 27.725,58 1,59 1.423,61 1,62 1.063,63 1,64 2.901,65 16.653,66 29.642,67 22.689,68 4.796,69 2.86,70 25.195,71 5.1}
{0 CHEMBL1966816,4 17.805,7 66.91,11 0.247,12 2,13 10.72,14 10.72,16 4,20 -0.816,22 25.955,23 2,25 3,27 0.907,28 1.406,29 118.556,30 0.94,31 12.391,32 0.859,34 21.564,36 0.936,37 4.575,38 4.575,40 7.116,41 7.116,42 1,43 18.356,44 3.149,45 18.813,46 3.503,48 25.937,49 0.185,50 17.185,51 4.29,52 13.081,53 5.229,54 24.013,56 22.094,57 27.866,58 1,59 1.529,61 1,62 0.969,63 1,64 3.241,65 145.023,66 29.799,67 22.514,68 4.879,69 5.335,70 24.966,71 5.1}
{0 CHEMBL1967094,4 9.346,7 86.02,8 115.398,12 3,13 8.726,14 8.726,16 2,20 -0.1,22 54.965,24 1.383,25 4,27 0.264,28 2.525,29 80.957,30 0.19,31 12.481,32 1.129,33 5.416,34 4.115,35 1,36 0.127,37 4.653,38 4.653,40 6.746,41 6.746,43 17.646,44 3.534,45 18.236,46 3.823,48 25.171,49 0.557,50 16.513,51 4.522,52 13.009,53 5.323,54 23.312,56 21.46,57 27.037,59 1.593,61 1,62 1.062,64 2.963,65 12.98,66 28.908,67 21.748,68 4.796,69 2.162,70 24.163,71 5.1}
{0 CHEMBL1967116,4 20.473,5 2,6 1,7 126.1,8 160.079,12 5,13 9.649,14 9.649,15 6.28,16 4,19 3,20 -0.288,22 62.642,24 1.634,25 4,26 1.771,27 0.149,28 3.218,29 91.491,30 0.353,31 12.861,32 1.01,33 5.352,34 30.892,36 0.246,37 4.748,38 4.748,40 7.013,41 7.013,43 18.165,44 4.005,45 19.547,46 3.859,48 25.72,49 0.669,50 17.007,51 4.92,52 13.348,53 5.396,54 23.83,56 21.95,57 27.618,59 1.8,60 1,61 1,62 1.396,64 2.881,65 23.524,66 29.523,67 22.503,68 5.165,69 2.912,70 24.988,71 5.1}
{0 CHEMBL1967302,3 2,4 17.176,7 93.03,8 143.43,11 0.324,12 1,13 9.748,14 9.748,15 6.329,16 3,18 1,19 1,20 0.029,22 39.826,25 5,27 0.232,28 2.592,29 85.828,30 0.273,31 12.662,32 1,33 5.416,34 13.915,36 0.143,37 4.527,38 4.527,39 1,40 6.533,41 6.533,42 1,43 17.61,44 3.84,45 17.025,46 3.768,48 25.2,49 0.723,50 16.517,51 4.682,52 13.132,53 5.127,54 23.368,56 21.542,57 27.037,59 1.808,60 1,61 1,62 1.263,64 3.025,65 21.565,66 28.878,67 21.605,68 4.945,69 3.497,70 23.945,71 5.1}
{0 CHEMBL1967531,4 14.885,7 121.17,8 59.466,10 1,12 1,13 8.076,14 8.076,15 5.998,16 3,19 2,20 -0.289,22 52.656,23 1,24 1.528,25 2,27 0.202,28 2.312,29 91.613,30 0.171,31 12.47,32 0.866,33 4.727,34 18.375,36 0.23,37 4.666,38 4.666,40 6.884,41 6.884,42 1,43 17.69,44 3.485,45 18.662,46 3.789,48 25.301,49 0.317,50 16.549,51 4.466,52 13.009,53 5.298,54 23.417,55 1,56 21.543,57 27.192,59 1.592,60 1,61 1,62 1.062,64 2.664,65 19.54,66 29.09,67 22.022,68 4.796,69 2.912,70 24.479,71 5.1}
{0 CHEMBL1967538,4 14.575,6 1,7 91.81,8 39.238,13 8.975,14 8.975,16 5,20 -0.083,21 1,22 45.744,24 1.43,25 4,26 1.788,27 0.224,28 1.939,29 58.593,30 0.263,31 12.412,33 5.533,34 1.358,35 1,36 0.222,37 4.801,38 4.801,40 7.056,41 7.056,42 1,43 18.251,44 1.86,45 19.651,46 3.331,48 25.617,49 0.147,50 17.049,51 4.317,52 12.903,53 5.465,54 23.698,56 21.785,57 27.541,58 1,59 1.188,61 1,62 0.704,63 3,64 2.532,65 14.186,66 29.47,67 22.513,68 4.677,69 2.22,70 25.025,71 4.1}
{0 CHEMBL1967544,3 4,4 16.804,7 100.8,9 2,12 6,13 10.829,14 10.829,15 5.89,16 6,22 27.939,25 14,27 0.309,28 4.361,29 110.781,30 0.291,31 13.047,32 0.892,35 2,36 0.375,37 5.006,38 5.006,40 7.784,41 7.784,43 19.352,44 4.441,45 22.854,46 3.974,48 26.947,49 0.868,50 18.106,51 5.037,52 13.722,53 5.594,54 24.946,55 3,56 22.955,57 28.956,58 3,59 1.794,62 1.516,64 3.038,65 51.439,66 30.971,67 24.012,68 5.453,69 1.2,70 26.655,71 5.1}
{0 CHEMBL1967560,4 45.066,7 111.24,8 95.957,11 0.86,12 5,13 9.475,14 9.475,16 7,17 0.8,18 1,20 -0.18,22 48.674,23 2,25 9,27 0.707,28 3.735,29 94.861,30 0.784,31 13.025,32 0.807,33 4.443,34 8.503,35 3,36 0.559,37 4.556,38 4.556,39 1,40 7.095,41 7.095,43 18.435,44 4.437,45 20.265,46 3.73,48 25.986,49 1.014,50 17.265,51 5.106,52 13.187,53 5.391,54 24.096,55 5,56 22.215,57 27.884,58 1,59 1.764,62 1.622,63 1,64 3.183,65 37.776,66 29.789,67 22.741,68 4.956,69 2.972,70 25.245,71 7.9}
{0 CHEMBL1967564,4 8.052,7 70.67,8 31.328,12 1,13 8.767,14 8.767,16 5,20 -0.013,21 1,22 21.107,23 2,25 5,27 0.275,28 1.316,29 58.593,30 0.155,31 12.231,32 0.837,33 4.727,36 0.143,37 4.633,38 4.633,40 6.602,41 6.602,42 1,43 17.348,44 3.05,45 17.457,46 3.53,48 24.879,49 0.308,50 16.225,51 4.331,52 12.806,53 5.174,54 23.03,55 1,56 21.186,57 26.734,58 1,59 1.604,61 1,62 0.976,64 2.689,65 15.601,66 28.592,67 21.385,68 4.677,69 3.306,70 23.766,71 5.1}
{0 CHEMBL1967720,3 2,4 24.903,5 2,6 1,7 169.19,8 192.764,10 1,11 0.247,12 6,13 11.975,14 11.975,15 11.84,16 6,17 0.148,19 3,20 -0.974,22 73.282,23 1,24 1.526,25 8,26 1.539,27 0.755,28 3.359,29 164.493,30 0.378,31 13.052,32 0.974,33 5.352,34 45.852,36 0.355,37 4.755,38 4.755,40 7.62,41 7.62,43 19.186,44 4.208,45 21.043,46 3.884,48 26.812,49 0.691,50 17.967,51 5.063,52 13.606,53 5.581,54 24.832,56 22.861,57 28.799,59 1.92,60 3,62 1.457,63 1,64 3.326,65 45.987,66 30.792,67 23.658,68 5.352,69 3.388,70 26.224,71 5.1}
{0 CHEMBL1967887,3 2,4 7.63,7 76.82,8 43.454,13 8.978,14 8.978,15 5.437,16 4,18 1,22 25.787,25 6,27 0.156,28 1.436,29 77.346,30 0.168,31 12.179,32 0.959,33 4.727,34 2.757,36 0.11,37 4.558,38 4.558,39 1,40 6.522,41 6.522,42 1,43 17.185,44 3.255,45 16.757,46 3.395,48 24.808,49 0.254,50 16.085,51 4.22,52 12.74,53 5.131,54 22.97,56 21.137,57 26.651,59 1.733,61 1,62 0.984,64 2.603,65 15.221,66 28.497,67 21.188,68 4.559,69 1.72,70 23.53,71 5.1}
{0 CHEMBL1968070,1 1,4 19.388,5 2,7 117.52,11 0.4,12 1,13 9.81,14 9.81,15 5.319,16 5,19 1,20 -1.015,22 26.694,23 3,25 5,27 0.565,28 1.44,29 155.662,30 0.395,31 12.365,32 0.724,33 2.708,34 44.548,35 2,36 0.299,37 4.519,38 4.519,40 6.698,41 6.698,42 1,43 17.599,44 2.724,45 17.961,46 3.468,48 25.265,49 0.029,50 16.471,51 4.466,52 12.826,53 5.201,54 23.399,56 21.538,57 27.135,58 1,59 1.389,60 1,61 1,62 0.804,63 1,64 2.948,65 32.934,66 29.008,67 21.783,68 4.663,69 2.117,70 24.185,71 5.1}
{0 CHEMBL1968127,4 14.469,7 71.49,8 138.31,12 3,13 11.007,14 11.007,16 4,22 30.666,23 1,25 6,27 0.638,28 1.991,29 74.824,30 0.392,31 12.775,32 1.012,33 5.416,34 43.158,35 1,36 0.414,37 4.736,38 4.736,40 7.02,41 7.02,42 1,43 18.524,44 3.993,45 19.41,46 3.782,47 1,48 25.944,49 0.644,50 17.351,51 4.82,52 13.254,53 5.351,54 24.04,55 4,56 22.142,57 27.854,58 3,59 1.734,61 1,62 1.375,63 1,64 2.909,65 30.759,66 29.768,67 22.803,68 5.027,69 1.2,70 25.28,71 5.1}
{0 CHEMBL1968151,4 10.18,6 1,7 104.18,8 59.544,12 1,13 9.087,14 9.087,16 6,20 -0.28,21 1,22 47.51,23 1,24 1.475,25 9,26 1.296,27 0.3,28 1.676,29 75.379,30 0.154,31 12.498,32 0.878,33 5.352,34 16.047,36 0.245,37 4.628,38 4.628,40 6.852,41 6.852,42 1,43 17.905,44 2.969,45 18.943,46 3.654,48 25.371,49 0.118,50 16.742,51 4.585,52 12.86,53 5.344,54 23.49,55 3,56 21.615,57 27.257,58 1,59 1.347,61 1,62 0.943,63 1,64 2.81,65 10.019,66 29.147,67 22.048,68 4.543,69 2.86,70 24.501,71 5.1}
{0 CHEMBL1968245,3 1,4 8.957,7 76.82,8 70.116,12 1,13 8.823,14 8.823,15 6.304,16 5,18 1,19 1,22 29.716,25 6,27 0.247,28 2.232,29 116.617,30 0.273,31 12.388,32 0.925,33 4.727,34 56.136,36 0.138,37 4.527,38 4.527,39 1,40 6.533,41 6.533,42 1,43 17.209,44 3.878,45 17.026,46 3.813,48 24.877,49 0.693,50 16.132,51 4.382,52 12.962,53 5.125,54 23.052,56 21.234,57 26.708,59 1.852,60 1,61 1,62 1.244,64 2.582,65 20.594,66 28.545,67 21.231,68 4.745,69 1.72,70 23.572,71 5.1}
{0 CHEMBL1968406,4 24.231,7 121.17,8 46.988,10 1,12 1,13 9.349,14 9.349,15 6.162,16 3,19 2,20 -0.252,22 67.989,23 1,24 1.686,25 2,27 0.144,28 3.834,29 91.613,30 0.315,31 12.882,32 0.681,33 4.844,34 7.962,36 0.238,37 4.774,38 4.774,40 7.107,41 7.107,42 1,43 18.338,44 3.791,45 19.834,46 3.827,48 25.799,49 0.845,50 17.156,51 4.99,52 13.275,53 5.461,54 23.892,55 1,56 21.996,57 27.715,59 1.718,60 1,61 1,62 1.284,64 2.918,65 23.997,66 29.637,67 22.724,68 5.085,69 2.912,70 25.244,71 5.1}
{0 CHEMBL1968590,3 1,4 9.945,5 1,7 137.38,8 104.697,12 4,13 9.582,14 9.582,15 6.185,16 6,19 3,20 -0.156,22 86.283,24 3.285,25 5,27 0.192,28 3.236,29 91.613,30 0.164,31 12.713,32 1.06,33 5.416,34 15.591,36 0.171,37 4.732,38 4.732,40 6.974,41 6.974,42 1,43 18.114,44 3.813,45 19.235,46 3.633,48 25.644,49 0.655,50 16.955,51 4.762,52 13.257,53 5.383,54 23.753,56 21.87,57 27.541,58 1,59 1.623,60 1,61 1,62 1.209,64 3.021,65 18.534,66 29.444,67 22.406,68 5.085,69 2.117,70 24.878,71 5.1}
{0 CHEMBL1968705,4 29.259,7 108.06,8 215.155,11 0.8,12 7,13 9.261,14 9.261,16 11,17 0.4,18 1,20 -0.006,22 53.785,23 1,25 12,27 0.372,28 3.076,29 86.379,30 0.37,31 12.908,32 1.025,33 5.209,34 4.472,35 4,36 0.265,37 4.588,38 4.588,39 1,40 6.592,41 6.592,43 17.695,44 4.506,45 17.558,46 3.835,48 25.29,49 1.128,50 16.604,51 5.075,52 13.348,53 5.204,54 23.468,55 1,56 21.654,57 27.118,59 1.852,62 1.647,64 2.959,65 29.477,66 28.951,67 21.687,68 5.198,69 3.306,70 24.04,71 5.1}
{0 CHEMBL1968791,4 25.723,5 1,6 1,7 69.2,8 174.317,10 2,12 9,13 9.775,14 9.775,15 6.443,16 13,18 1,19 1,22 45.221,23 2,25 10,26 2.417,27 0.38,28 3.812,29 77.468,30 0.579,31 13.07,32 0.95,33 5.416,34 5.085,36 0.285,37 4.854,38 4.854,39 1,40 7.268,41 7.268,43 18.719,44 4.388,45 20.532,46 3.804,48 26.105,49 1.038,50 17.508,51 5.13,52 13.324,53 5.496,54 24.178,55 2,56 22.262,57 28.041,58 1,59 1.898,60 1,62 1.621,63 1,64 2.97,65 27.184,66 29.985,67 23.143,68 5.037,69 2.302,70 25.704,71 5.1}
{0 CHEMBL1968850,4 16.564,7 74.43,13 8.798,14 8.798,16 4,20 -0.255,22 18.803,23 2,25 4,27 0.402,28 1.261,29 97.62,30 0.121,31 12.114,32 0.551,33 2.708,34 44.548,35 1,36 0.202,37 4.442,38 4.442,40 6.526,41 6.526,42 1,43 17.124,44 2.258,45 17.04,46 3.431,48 24.776,49 0.013,50 16.019,51 4.234,52 12.565,53 5.119,54 22.936,56 21.102,57 26.62,59 1.233,61 1,62 0.538,63 1,64 2.914,65 12.641,66 28.468,67 21.165,68 4.388,69 2.117,70 23.522,71 5.1}
{0 CHEMBL1968926,4 5.279,7 79.76,8 51.699,12 1,13 7.122,14 7.122,16 5,22 42.511,25 4,27 0.125,28 1.646,29 50.234,30 0.078,31 11.812,32 0.763,33 4.595,34 0.693,35 1,36 0.117,37 4.293,38 4.293,40 6.181,41 6.181,42 1,43 16.213,44 2.965,45 15.49,46 3.699,48 23.944,49 0.218,50 15.189,51 3.807,52 12.335,53 5.006,54 22.161,55 1,56 20.385,57 25.731,58 1,59 1.428,61 1,62 1.062,64 2.76,65 11.15,66 27.523,67 20.095,68 4.007,69 6.545,70 22.35,71 5.1}
{0 CHEMBL1969042,4 15.957,7 101.4,8 75.579,13 8.201,14 8.201,16 2,21 1,22 17.398,25 3,27 0.318,28 1.99,29 144.713,30 0.411,31 12.558,32 0.918,33 4.727,36 0.091,37 4.596,38 4.596,40 6.909,41 6.909,42 1,43 17.735,44 3.963,45 18.845,46 3.791,48 25.347,49 0.289,50 16.592,51 4.644,52 13.009,53 5.257,54 23.462,56 21.587,57 27.241,59 1.669,61 1,62 1.066,64 2.72,65 11.201,66 29.142,67 22.124,68 4.808,69 0.8,70 24.594,71 5.1}
{0 CHEMBL1969049,4 15.446,7 51.22,11 0.473,12 2,13 8.99,14 8.99,16 5,18 1,20 -0.093,22 25.876,25 5,27 0.18,28 1.911,29 52.93,30 0.302,31 12.293,32 0.967,35 1,36 0.18,37 4.413,38 4.413,39 1,40 6.474,41 6.474,42 1,43 17.164,44 3.729,45 16.831,46 3.693,48 24.944,49 0.616,50 16.093,51 4.263,52 12.821,53 5.084,54 23.121,56 21.302,57 26.771,59 1.692,61 1,62 1.281,64 3.026,65 21.694,66 28.601,67 21.174,68 4.605,69 2.162,70 23.496,71 5.1}
{0 CHEMBL1969102,4 17.311,5 1,7 136.96,8 154.173,12 3,13 9.592,14 9.592,15 6.248,16 3,19 3,20 -0.289,22 62.642,24 1.624,25 3,27 0.164,28 3.073,29 91.491,30 0.316,31 12.817,32 0.915,33 5.283,34 30.892,35 1,36 0.224,37 4.746,38 4.746,40 7.012,41 7.012,43 18.133,44 3.888,45 19.529,46 3.832,48 25.703,49 0.614,50 16.973,51 4.883,52 13.3,53 5.393,54 23.811,56 21.928,57 27.603,59 1.674,60 1,61 1,62 1.396,64 2.833,65 22.648,66 29.509,67 22.491,68 5.085,69 2.912,70 24.976,71 5.1}
{0 CHEMBL1969126,4 9.58,6 1,7 61.15,8 169.927,12 6,13 10.709,14 10.709,16 6,22 38.394,25 13,26 1.824,27 0.764,28 2.241,29 89.417,30 0.653,31 12.971,32 0.983,33 5.82,34 58.363,36 0.381,37 4.761,38 4.761,40 7.053,41 7.053,43 18.504,44 3.85,45 19.698,46 3.831,47 1,48 26.011,49 0.469,50 17.329,51 5.05,52 13.417,53 5.367,54 24.109,55 4,56 22.213,57 27.919,58 3,59 1.717,62 1.301,64 3.082,65 20.72,66 29.831,67 22.828,68 5.207,70 25.317,71 5.1}
{0 CHEMBL1969156,4 3.162,7 56.21,8 26.971,10 1,13 7.964,14 7.964,15 5.851,16 4,19 2,22 9.557,23 1,25 5,27 0.141,28 1.116,29 66.468,30 0.07,31 12.121,32 0.613,33 4.727,34 2.144,36 0.127,37 4.665,38 4.665,40 6.884,41 6.884,42 1,43 17.599,44 2.599,45 18.656,46 3.216,47 1,48 25.21,49 0.159,50 16.441,51 4.043,52 12.68,53 5.231,54 23.307,55 2,56 21.41,57 27.118,59 1.245,61 1,62 0.819,63 1,64 2.073,65 10.068,66 29.03,67 21.987,68 4.407,70 24.453,71 4.1}
{0 CHEMBL1969190,4 22.454,7 102.41,8 70.502,9 1,11 0.247,12 1,13 8.724,14 8.724,15 5.949,16 3,18 1,19 2,20 -0.636,22 49.383,25 5,27 0.863,28 1.976,29 128.293,30 0.603,31 12.695,32 0.926,33 4.727,34 41.36,35 1,36 0.471,37 4.719,38 4.719,39 1,40 6.969,41 6.969,42 1,43 17.986,44 3.606,45 19.209,46 3.795,48 25.551,49 0.347,50 16.835,51 4.727,52 13.222,53 5.312,54 23.666,56 21.791,57 27.445,59 1.642,60 1,61 1,62 1.205,63 1,64 3.111,65 33.174,66 29.346,67 22.309,68 5.085,69 2.912,70 24.786,71 5.1}
{0 CHEMBL1969264,4 9.101,7 70.67,8 34.772,12 2,13 10.264,14 10.264,16 4,20 -0.106,22 20.755,25 8,27 0.256,28 1.941,29 58.716,30 0.083,31 12.674,32 0.96,33 4.844,34 2.144,35 1,36 0.116,37 4.748,38 4.748,40 6.782,41 6.782,42 1,43 18.273,44 3.601,45 18.279,46 3.626,48 25.632,49 0.469,50 17.124,51 4.762,52 13.287,53 5.288,54 23.765,56 21.903,57 27.503,58 1,59 1.691,61 1,62 1.239,64 3.087,65 17.12,66 29.377,67 22.257,68 5.147,69 2.117,70 24.661,71 5.1}
{0 CHEMBL1969301,4 23.435,6 1,7 91.02,8 81.622,11 1.058,12 7,13 10.017,14 10.017,16 9,17 0.555,20 -0.148,22 44.572,25 13,26 2.012,27 0.59,28 3.261,29 98.135,30 0.389,31 12.772,32 0.946,33 4.844,34 2.144,36 0.303,37 4.651,38 4.651,40 6.768,41 6.768,43 18,44 4.319,45 18.396,46 3.779,47 1,48 25.605,49 0.861,50 16.871,51 4.82,52 13.226,53 5.224,54 23.743,55 2,56 21.887,57 27.472,58 2,59 1.889,62 1.431,63 3,64 3.584,65 25.297,66 29.343,67 22.111,68 4.977,69 4.069,70 24.522,71 5.1}
{0 CHEMBL1969372,4 11,7 77.23,8 53.51,12 1,13 8.436,14 8.436,16 3,22 30.889,25 4,27 0.38,28 1.927,29 93.102,30 0.447,31 12.651,32 0.962,33 4.844,34 31.387,35 1,36 0.375,37 4.728,38 4.728,39 1,40 7.018,41 7.018,42 1,43 18.058,44 3.86,45 19.398,46 3.752,47 1,48 25.558,49 0.565,50 16.882,51 4.796,52 13.058,53 5.344,54 23.653,55 2,56 21.758,57 27.469,58 2,59 1.757,61 1,62 1.091,63 1,64 2.725,65 26.289,66 29.387,67 22.45,68 4.808,69 1.72,70 24.954,71 5.1}
{0 CHEMBL1969502,4 17.303,7 90.64,8 44.306,11 0.149,12 3,13 11.288,14 11.288,16 3,20 -0.295,22 28.974,23 1,25 6,27 0.308,28 2.317,29 66.953,30 0.361,31 12.824,32 0.956,33 6.196,34 13.915,35 2,36 0.17,37 4.697,38 4.697,40 6.907,41 6.907,42 1,43 18.407,44 3.483,45 18.812,46 3.649,48 25.855,49 0.702,50 17.238,51 4.804,52 13.183,53 5.315,54 23.955,56 22.061,57 27.759,59 1.648,61 1,62 1.206,64 3.106,65 21.818,66 29.668,67 22.651,68 4.924,69 3.306,70 25.116,71 5.1}
{0 CHEMBL1969506,4 27.998,6 1,7 170.86,8 91.815,11 0.4,13 11.622,14 11.622,15 5.09,16 6,17 0.262,19 2,20 -1.71,22 36.859,23 2,25 8,26 1.149,27 0.903,28 2.433,29 178.702,30 0.712,31 12.928,32 0.833,33 4.727,34 8.907,35 2,36 0.667,37 4.801,38 4.801,39 1,40 7.111,41 7.111,43 19.027,44 4.063,45 19.657,46 3.914,48 26.456,49 0.726,50 17.851,51 4.812,52 13.751,53 5.382,54 24.537,55 4,56 22.623,57 28.38,59 1.885,60 2,62 1.363,64 3.844,65 96.041,66 30.306,67 23.115,68 5.527,69 3.872,70 25.577,71 5.1}
{0 CHEMBL1969523,4 26.523,7 102.99,11 0.4,12 4,13 11.24,14 11.24,16 5,20 0.022,22 15.683,23 3,25 3,27 0.493,28 1.512,29 152.509,30 0.651,31 12.566,32 0.963,34 4.227,35 1,36 0.172,37 4.687,38 4.687,40 7.079,41 7.079,42 1,43 18.639,44 3.842,45 19.75,46 3.717,48 26.078,49 0.709,50 17.456,51 4.431,52 13.211,53 5.404,54 24.151,55 2,56 22.229,57 28.01,59 1.811,61 1,62 1.239,63 1,64 2.926,65 24.346,66 29.946,67 22.692,68 4.89,69 1.2,70 25.172,71 6.5}
{0 CHEMBL1969537,4 8.037,7 166.22,8 88.035,13 10.506,14 10.506,16 4,21 1,22 50.703,24 1.787,25 4,27 0.272,28 3.414,29 143.779,30 0.233,31 13.02,32 0.859,33 6.107,34 1.358,36 0.233,37 4.976,38 4.976,40 7.295,41 7.295,42 1,43 18.904,44 3.032,45 21.088,46 3.83,48 26.254,49 0.188,50 17.674,51 5.124,52 13.403,53 5.597,54 24.314,55 6,56 22.38,57 28.199,59 1.514,61 1,62 0.763,63 4,64 3.378,65 10.928,66 30.148,67 23.316,68 5.173,70 25.882,71 6.4}
{0 CHEMBL1969561,4 16.518,6 1,7 79.7,8 145.238,11 0.293,12 1,13 9.348,14 9.348,16 5,20 -0.099,22 23.412,25 9,26 1.686,27 0.408,28 1.989,29 75.011,30 0.397,31 12.678,32 0.898,33 5.352,34 4.901,36 0.187,37 4.618,38 4.618,40 6.959,41 6.959,42 1,43 18.03,44 4.099,45 19.196,46 3.767,48 25.655,49 0.638,50 16.881,51 4.7,52 13.131,53 5.274,54 23.77,55 2,56 21.892,57 27.547,58 1,59 1.702,61 1,62 1.397,63 4,64 2.91,65 15.949,66 29.444,67 22.325,68 4.89,69 2.293,70 24.791,71 5.1}
{0 CHEMBL1969588,4 11.313,7 53.6,8 47.771,12 1,13 8.279,14 8.279,16 5,22 21.35,25 3,27 0.159,28 1.925,29 72.72,30 0.22,31 12.384,32 0.897,33 4.727,34 56.319,36 0.136,37 4.6,38 4.6,40 6.714,41 6.714,42 1,43 17.421,44 3.592,45 18.107,46 3.823,48 25.013,49 0.517,50 16.303,51 4.443,52 12.904,53 5.194,54 23.154,56 21.304,57 26.878,59 1.637,61 1,62 1.062,64 2.766,65 14.641,66 28.75,67 21.599,68 4.691,69 1.315,70 24.012,71 5.1}
{0 CHEMBL1969664,4 16.484,7 85.17,8 54.157,11 0.86,12 4,13 8.063,14 8.063,16 5,17 0.172,21 1,22 32.532,23 2,25 5,27 0.314,28 2.209,29 101.528,30 0.323,31 12.532,32 0.994,33 4.844,34 2.144,36 0.245,37 4.694,38 4.694,39 1,40 6.915,41 6.915,42 1,43 17.84,44 3.476,45 18.778,46 3.617,48 25.348,49 0.701,50 16.683,51 4.585,52 12.998,53 5.347,54 23.461,56 21.583,57 27.244,59 1.659,61 1,62 1.251,63 1,64 3.023,65 19.516,66 29.147,67 22.123,68 4.745,69 4.069,70 24.592,71 5.1}
{0 CHEMBL1969735,4 12.213,7 88.23,8 61.314,12 2,13 10.767,14 10.767,16 4,22 29.369,25 6,27 0.849,28 2.211,29 163.934,30 0.438,31 12.812,32 1.061,33 4.844,34 73.607,35 1,36 0.359,37 4.763,38 4.763,40 7.059,41 7.059,42 1,43 18.559,44 4.097,45 19.689,46 3.792,47 1,48 26.011,49 0.549,50 17.384,51 4.913,52 13.305,53 5.366,54 24.106,55 2,56 22.207,57 27.922,58 2,59 1.854,61 1,62 1.299,63 1,64 2.978,65 36.912,66 29.836,67 22.849,68 5.075,69 0.8,70 25.332,71 5.1}
{0 CHEMBL1969755,4 10.264,7 62.22,13 8.887,14 8.887,16 3,20 -0.543,22 29.102,25 2,27 0.499,28 1.781,29 99.574,30 0.622,31 12.212,32 0.958,34 14.96,35 1,36 0.163,37 4.403,38 4.403,40 6.435,41 6.435,42 1,43 16.974,44 3.612,45 16.639,46 3.708,48 24.756,49 0.48,50 15.91,51 4.22,52 12.71,53 5.063,54 22.937,56 21.124,57 26.579,59 1.751,61 1,62 1.068,64 2.832,65 28.299,66 28.406,67 20.969,68 4.46,69 2.117,70 23.281,71 5.1}
{0 CHEMBL1969843,4 9.057,6 1,7 68.62,8 99.611,12 3,13 8.731,14 8.731,16 5,22 27.019,25 10,26 1.949,27 0.262,28 1.844,29 60.866,30 0.295,31 12.231,32 1.083,33 5.283,34 13.915,36 0.187,37 4.47,38 4.47,39 1,40 6.306,41 6.306,42 1,43 16.915,44 3.169,45 16.128,46 3.632,48 24.538,49 0.52,50 15.852,51 4.29,52 12.676,53 5.084,54 22.736,55 1,56 20.939,57 26.344,58 2,59 1.643,61 1,62 1.178,64 2.625,65 15.088,66 28.154,67 20.781,68 4.477,69 1.72,70 23.067,71 5.1}
{0 CHEMBL1969879,4 16.238,7 85.35,8 44.131,11 0.642,13 9.522,14 9.522,16 5,17 0.129,20 -0.209,22 18.067,23 2,25 6,27 0.466,28 2.13,29 101.399,30 0.477,31 12.397,32 0.778,33 4.595,34 14.099,36 0.332,37 4.557,38 4.557,40 6.803,41 6.803,42 1,43 17.723,44 3.681,45 18.665,46 3.447,48 25.415,49 0.634,50 16.592,51 4.357,52 12.733,53 5.235,54 23.542,55 3,56 21.674,57 27.293,59 1.684,61 1,62 1.281,63 1,64 2.889,65 25.298,66 29.174,67 21.942,68 4.511,69 3.579,70 24.366,71 5.1}
{0 CHEMBL1970006,3 2,4 19.048,7 125.38,8 49.94,12 3,13 10.333,14 10.333,15 5.718,16 4,19 1,22 16.563,23 3,25 4,27 0.498,28 1.914,29 110.781,30 0.381,31 12.427,32 1.027,33 4.595,34 15.998,36 0.47,37 4.782,38 4.782,40 7.219,41 7.219,42 1,43 18.506,44 3.596,45 19.757,46 3.826,48 26.054,49 0.607,50 17.319,51 4.277,52 13.314,53 5.394,54 24.12,55 4,56 22.193,57 27.993,58 1,59 1.702,61 1,62 1.349,64 3.052,65 52.393,66 29.936,67 22.655,68 5.156,69 1.315,70 25.136,71 5.1}
{0 CHEMBL1970074,4 18.603,7 69.81,8 72.95,11 0.247,12 1,13 11.471,14 11.471,16 2,20 -0.63,22 26.82,25 3,27 0.69,28 2.151,29 86.688,30 0.9,31 12.667,32 0.821,33 4.727,34 7.033,36 0.846,37 4.661,38 4.661,40 7.116,41 7.116,43 18.539,44 3.618,45 18.916,46 3.799,48 26.106,49 0.377,50 17.365,51 4.595,52 13.288,53 5.258,54 24.181,56 22.263,57 28.036,59 1.771,61 1,62 1.283,64 3.255,65 134.307,66 29.971,67 22.761,68 5.066,69 5.335,70 25.226,71 5.8}
{0 CHEMBL1970083,4 19.296,7 121.17,8 88.409,11 0.247,12 3,13 11.704,14 11.704,15 6.221,16 4,19 3,20 -0.887,22 71.763,24 1.529,25 3,27 0.951,28 3.377,29 151.454,30 0.991,31 12.986,32 0.787,33 4.727,34 34.081,36 0.946,37 4.746,38 4.746,40 7.119,41 7.119,43 18.787,44 3.97,45 19.526,46 3.83,48 26.342,49 0.618,50 17.609,51 5.024,52 13.533,53 5.388,54 24.421,56 22.507,57 28.268,58 1,59 1.823,60 1,62 1.353,64 3.324,65 147.353,66 30.198,67 23.038,68 5.293,69 5.335,70 25.516,71 5.1}
{0 CHEMBL1970104,4 6.063,7 57.36,8 80.878,12 3,13 10.975,14 10.975,16 3,22 17.276,23 1,25 5,27 0.254,28 1.816,29 33.449,30 0.143,31 12.608,32 0.988,33 5.416,34 4.901,36 0.094,37 4.651,38 4.651,40 7.12,41 7.12,43 18.533,44 3.424,45 18.966,46 3.589,47 1,48 26.051,49 0.469,50 17.357,51 4.635,52 13.221,53 5.379,54 24.128,56 22.211,57 27.977,59 1.748,61 1,62 1.239,63 1,64 2.86,65 14.126,66 29.906,67 22.659,68 4.987,70 25.109,71 5.1}
{0 CHEMBL1970189,4 14.014,7 87.72,8 38.183,10 2,11 1.041,13 9.127,14 9.127,15 5.829,16 4,18 1,19 2,20 0.409,22 25.443,23 2,25 4,27 0.392,28 1.813,29 130.768,30 0.42,31 12.538,32 0.4,33 4.727,34 7.571,36 0.194,37 4.656,38 4.656,39 1,40 7.125,41 7.125,42 1,43 18.248,44 3.019,45 19.961,46 3.526,48 25.79,49 0.16,50 17.056,51 4.511,52 12.947,53 5.433,54 23.867,55 1,56 21.952,57 27.718,58 1,59 1.403,60 1,61 1,62 1.021,63 1,64 3.13,65 17.987,66 29.651,67 22.729,68 4.59,69 4.525,70 25.26,71 5.1}
{0 CHEMBL1970203,3 2,4 27.256,7 150.27,8 78.578,9 1,10 1,11 0.247,12 1,13 8.11,14 8.11,15 5.9,16 4,19 1,20 -0.65,22 63.303,23 1,24 1.332,25 3,27 0.367,28 2.388,29 116.758,30 0.45,31 12.609,32 1.017,33 4.727,34 18.375,35 3,36 0.321,37 4.659,38 4.659,40 6.87,41 6.87,42 1,43 17.746,44 3.834,45 18.549,46 3.841,48 25.338,49 0.619,50 16.619,51 4.575,52 13.187,53 5.293,54 23.469,55 1,56 21.612,57 27.216,59 1.667,60 1,61 1,62 1.3,64 3.033,65 28.723,66 29.103,67 21.989,68 5.075,69 2.912,70 24.436,71 5.1}
{0 CHEMBL1970217,4 15.446,7 51.22,11 0.473,12 2,13 9.01,14 9.01,16 5,18 1,20 -0.099,22 25.876,25 6,27 0.205,28 1.856,29 52.93,30 0.271,31 12.272,32 1.014,35 1,36 0.18,37 4.376,38 4.376,39 1,40 6.451,41 6.451,42 1,43 17.1,44 3.68,45 16.603,46 3.71,48 24.928,49 0.57,50 16.039,51 4.234,52 12.819,53 5.046,54 23.107,56 21.291,57 26.752,59 1.682,61 1,62 1.331,64 3.038,65 21.25,66 28.58,67 21.131,68 4.605,69 2.162,70 23.442,71 5.1}
{0 CHEMBL1970314,1 1,3 2,4 5.987,7 82,10 1,13 8.958,14 8.958,15 11.256,16 4,19 4,20 -0.487,22 21.735,23 1,25 4,27 0.184,28 1.602,29 107.725,30 0.164,31 12.27,32 1.053,36 0.072,37 4.6,38 4.6,40 6.685,41 6.685,42 1,43 17.419,44 3.24,45 17.891,46 3.44,48 25.065,49 0.19,50 16.296,51 4.331,52 12.839,53 5.197,54 23.206,56 21.354,57 26.928,59 1.461,60 3,61 1,62 0.98,63 1,64 2.726,65 19.672,66 28.796,67 21.58,68 4.677,69 1.96,70 23.979,71 5.1}
{0 CHEMBL1970317,4 19.675,5 2,6 1,7 126.1,8 160.079,12 5,13 9.649,14 9.649,15 6.253,16 4,19 3,20 -0.455,22 68.577,24 1.603,25 4,26 1.752,27 0.346,28 3.136,29 106.451,30 0.383,31 12.861,32 0.982,33 5.352,34 45.852,36 0.293,37 4.748,38 4.748,40 7.013,41 7.013,43 18.165,44 3.964,45 19.547,46 3.859,48 25.72,49 0.667,50 17.007,51 4.92,52 13.348,53 5.396,54 23.83,56 21.95,57 27.618,59 1.8,60 1,62 1.309,64 2.947,65 23.164,66 29.523,67 22.503,68 5.165,69 2.912,70 24.988,71 5.1}
{0 CHEMBL1970340,4 5.319,7 72.28,8 29.891,13 8.24,14 8.24,15 5.785,16 3,19 3,22 16.108,25 4,27 0.191,28 1.252,29 104.911,30 0.342,31 12.193,32 0.493,33 4.727,34 7.164,36 0.077,37 4.663,38 4.663,40 6.881,41 6.881,42 1,43 17.619,44 2.54,45 18.727,46 3.271,48 25.232,49 0.141,50 16.466,51 4.111,52 12.764,53 5.217,54 23.334,56 21.443,57 27.136,59 1.214,60 1,61 1,62 0.792,64 2.325,65 9.013,66 29.044,67 21.994,68 4.559,70 24.457,71 5.1}
{0 CHEMBL1970369,4 10.86,5 1,7 118.11,8 126.332,10 1,11 0.293,12 1,13 9.474,14 9.474,15 5.366,16 7,19 1,20 -0.614,22 34.798,23 1,25 9,27 0.814,28 2.098,29 129.181,30 0.486,31 12.497,32 1.08,33 5.283,34 7.593,36 0.29,37 4.48,38 4.48,40 6.454,41 6.454,42 1,43 17.448,44 3.338,45 16.902,46 3.72,48 25.144,49 0.568,50 16.364,51 4.533,52 12.96,53 5.104,54 23.319,55 1,56 21.497,57 26.971,58 2,59 1.648,60 1,61 1,62 1.267,63 3,64 3.008,65 33.125,66 28.801,67 21.382,68 4.771,69 3.272,70 23.7,71 5.1}
{0 CHEMBL1970522,4 14.539,7 102.92,8 65.811,11 0.86,13 8.704,14 8.704,16 4,17 0.624,18 1,20 0.877,22 50.354,25 6,27 0.306,28 1.795,29 95.614,30 0.388,31 12.166,32 1.105,33 4.727,34 0.693,36 0.229,37 4.339,38 4.339,39 1,40 6.189,41 6.189,42 1,43 16.854,44 3.326,45 15.578,46 3.765,48 24.448,49 0.337,50 15.801,51 4.127,52 12.724,53 5.051,54 22.663,56 20.883,57 26.237,59 1.518,61 1,62 1.062,63 1,64 3.129,65 17.612,66 28.029,67 20.548,68 4.511,69 7.134,70 22.811,71 5.1}
{0 CHEMBL1970709,4 13.592,7 69.81,8 52.506,11 0.133,12 1,13 7.285,14 7.285,16 1,20 -0.235,22 20.096,25 2,27 0.272,28 1.602,29 41.808,30 0.304,31 11.982,32 0.91,33 4.595,34 6.42,35 1,36 0.199,37 4.427,38 4.427,40 6.195,41 6.195,42 1,43 16.443,44 3.159,45 15.548,46 3.777,48 24.077,49 0.337,50 15.413,51 3.97,52 12.631,53 4.978,54 22.306,56 20.542,57 25.855,59 1.619,61 1,62 1.062,64 2.93,65 16.324,66 27.639,67 20.192,68 4.543,69 2.921,70 22.449,71 5.1}
{0 CHEMBL1970735,4 15.702,7 101.03,10 3,11 0.86,12 1,13 7.053,14 7.053,15 5.686,16 6,17 0.149,18 1,20 -0.261,22 24.916,23 4,25 1,27 0.46,28 0.702,29 116.887,30 0.309,31 11.687,32 0.782,34 7.143,36 0.259,37 4.446,38 4.446,39 1,40 6.478,41 6.478,42 1,43 16.741,44 3.053,45 16.948,46 3.393,48 24.421,49 0.137,50 15.645,51 3.664,52 12.369,53 5.056,54 22.582,55 1,56 20.749,57 26.265,58 1,59 1.32,61 1,62 0.909,63 3,64 3.12,65 25.401,66 28.114,67 20.784,68 4.205,69 4.069,70 23.143,71 5.1}
{0 CHEMBL1970806,4 15.889,6 1,7 104.18,8 57.413,12 2,13 9.872,14 9.872,16 6,20 -0.242,21 1,22 62.192,23 1,24 1.685,25 7,26 1.381,27 0.343,28 3.453,29 75.379,30 0.375,31 12.842,32 1.033,33 5.476,34 5.634,36 0.254,37 4.727,38 4.727,40 7.067,41 7.067,42 1,43 18.409,44 3.444,45 19.85,46 3.671,48 25.813,49 0.548,50 17.218,51 4.984,52 13.1,53 5.473,54 23.906,55 3,56 22.007,57 27.725,59 1.432,61 1,62 1.066,63 3,64 2.901,65 16.468,66 29.642,67 22.689,68 4.796,69 2.86,70 25.195,71 5.1}
{0 CHEMBL1970873,4 17.388,7 48.65,13 8.798,14 8.798,16 1,20 -0.068,22 19.346,23 1,25 1,27 0.199,28 1.438,29 25.145,30 0.059,31 12.114,32 1.063,33 2.708,36 0.068,37 4.442,38 4.442,40 6.526,41 6.526,42 1,43 17.124,44 2.692,45 17.04,46 3.284,48 24.776,49 0.227,50 16.019,51 4.234,52 12.565,53 5.09,54 22.936,56 21.102,57 26.62,59 1.39,61 1,62 0.869,64 2.741,65 9.465,66 28.468,67 21.165,68 4.388,69 2.117,70 23.522,71 4.3}
{0 CHEMBL1970879,4 35.77,5 1,6 2,7 136.43,8 222.363,10 3,11 0.86,12 8,13 11.062,14 11.062,15 6.436,16 15,17 0.8,18 1,19 1,20 -0.072,22 56.003,23 3,25 14,26 3.907,27 0.623,28 5.112,29 144.421,30 0.773,31 13.329,32 0.986,33 5.533,34 7.229,36 0.459,37 4.764,38 4.764,39 1,40 7.051,41 7.051,43 18.754,44 4.615,45 19.687,46 3.832,48 26.295,49 0.917,50 17.593,51 5.421,52 13.689,53 5.386,54 24.409,55 3,56 22.53,57 28.187,58 3,59 1.986,62 1.652,63 2,64 3.392,65 39.076,66 30.084,67 23.004,68 5.472,69 3.348,70 25.473,71 5.1}
{0 CHEMBL1970903,3 2,4 11.017,7 92.61,8 143.259,12 1,13 10.231,14 10.231,15 6.35,16 4,18 1,19 1,22 34.118,25 7,27 0.273,28 2.559,29 77.346,30 0.296,31 12.679,32 0.957,33 5.416,34 16.672,36 0.119,37 4.558,38 4.558,39 1,40 6.533,41 6.533,42 1,43 17.728,44 3.872,45 17.025,46 3.805,48 25.352,49 0.739,50 16.625,51 4.691,52 13.234,53 5.157,54 23.507,56 21.667,57 27.202,59 1.825,60 1,61 1,62 1.29,64 2.96,65 18.803,66 29.056,67 21.784,68 5.047,69 1.72,70 24.139,71 5.1}
{0 CHEMBL1970913,4 14.557,6 1,7 76.88,8 39.572,11 0.149,12 2,13 8.993,14 8.993,16 8,20 -0.273,22 28.346,23 1,25 9,26 1.281,27 0.437,28 1.655,29 83.738,30 0.329,31 12.537,32 0.975,33 4.844,34 2.328,35 1,36 0.21,37 4.736,38 4.736,40 6.873,41 6.873,42 1,43 17.942,44 3.641,45 18.822,46 3.566,48 25.4,49 0.551,50 16.777,51 4.673,52 13.04,53 5.297,54 23.519,55 2,56 21.645,57 27.287,58 1,59 1.653,61 1,62 1.115,63 2,64 3.121,65 20.869,66 29.179,67 22.108,68 4.89,69 3.306,70 24.563,71 5.1}
{0 CHEMBL1971017,1 1,3 1,4 4.452,7 84.22,8 34.815,12 1,13 8.608,14 8.608,15 5.282,16 1,19 1,20 -0.466,22 56.152,24 1.288,25 5,27 0.21,28 1.947,29 89.788,30 0.241,31 12.283,32 1.123,33 4.727,34 17.064,36 0.149,37 4.629,38 4.629,40 6.73,41 6.73,42 1,43 17.518,44 2.871,45 18.231,46 3.465,48 25.092,49 0.135,50 16.385,51 4.331,52 12.843,53 5.266,54 23.228,56 21.37,57 26.962,58 1,59 1.228,60 2,61 1,62 0.884,64 2.881,65 23.818,66 28.837,67 21.681,68 4.677,69 1.96,70 24.101,71 5.8}
{0 CHEMBL1971029,4 35.803,7 137.17,11 0.8,12 2,13 9.615,14 9.615,16 5,17 0.555,18 1,20 0.083,22 35.474,23 4,25 7,27 0.87,28 3.477,29 114.029,30 0.821,31 12.817,32 0.961,34 4.227,36 0.699,37 4.879,38 4.879,39 1,40 7.392,41 7.392,43 18.71,44 4.28,45 20.475,46 3.937,48 26.325,49 0.788,50 17.522,51 4.852,52 13.515,53 5.423,54 24.385,55 3,56 22.455,57 28.274,58 4,59 1.846,62 1.492,64 3.237,65 67.089,66 30.231,67 23.093,68 5.323,69 3.348,70 25.622,71 6.5}
{0 CHEMBL1971141,1 1,4 16.973,7 84.22,11 0.247,12 2,13 7.963,14 7.963,15 5.319,16 1,19 2,20 -0.767,22 27.236,25 2,27 0.155,28 1.689,29 83.187,30 0.224,31 12.191,32 1.016,34 4.276,36 0.197,37 4.321,38 4.321,40 6.213,41 6.213,42 1,43 16.655,44 3.556,45 15.606,46 3.732,48 24.418,49 0.363,50 15.634,51 4.234,52 12.785,53 4.981,54 22.644,56 20.876,57 26.197,59 1.604,60 2,61 1,62 1.117,64 2.87,65 28.319,66 27.979,67 20.46,68 4.663,69 2.912,70 22.707,71 5.1}
{0 CHEMBL1971149,4 17.322,7 105.3,8 66.004,12 2,13 11.928,14 11.928,16 5,20 -0.958,22 39.085,23 1,25 7,27 1.383,28 2.188,29 164.891,30 0.671,31 12.92,32 1.038,33 4.844,34 46.347,35 1,36 0.473,37 4.774,38 4.774,40 7.207,41 7.207,42 1,43 18.891,44 4.129,45 19.882,46 3.784,47 1,48 26.442,49 0.605,50 17.698,51 4.99,52 13.453,53 5.406,54 24.504,55 2,56 22.572,57 28.385,58 4,59 1.857,61 1,62 1.305,63 1,64 3.132,65 58.392,66 30.331,67 23.213,68 5.223,69 3.925,70 25.715,71 5.1}
{0 CHEMBL1971186,4 17.439,7 80.28,8 120.737,12 2,13 8.454,14 8.454,16 3,22 35.735,25 4,27 0.448,28 2.417,29 74.824,30 0.451,31 12.747,32 1.005,33 5.416,34 43.158,35 1,36 0.369,37 4.736,38 4.736,40 7.02,41 7.02,42 1,43 18.109,44 3.882,45 19.41,46 3.792,47 1,48 25.59,49 0.644,50 16.937,51 4.86,52 13.103,53 5.35,54 23.691,55 4,56 21.802,57 27.497,58 1,59 1.708,61 1,62 1.376,63 1,64 2.852,65 25.621,66 29.41,67 22.466,68 4.856,69 0.8,70 24.966,71 5.1}
{0 CHEMBL1971245,1 1,4 24.418,5 1,7 104.68,8 67.621,9 1,10 1,11 0.8,12 4,13 9.204,14 9.204,15 5.592,16 7,17 0.4,20 -0.6,22 30.526,23 2,25 4,27 0.352,28 2.811,29 108.399,30 0.478,31 12.821,32 0.875,33 4.844,34 16.427,35 2,36 0.324,37 4.719,38 4.719,40 7,41 7,42 1,43 18.127,44 3.995,45 19.199,46 3.728,47 1,48 25.666,49 0.825,50 16.97,51 4.905,52 13.206,53 5.332,54 23.779,55 2,56 21.902,57 27.561,58 3,59 1.859,61 1,62 1.376,63 2,64 3.097,65 30.869,66 29.463,67 22.456,68 4.987,69 1.96,70 24.937,71 5.5}
{0 CHEMBL1971430,3 3,4 18.954,5 1,7 85.83,9 2,11 0.27,12 6,13 8.831,14 8.831,15 6.343,16 6,17 0.204,19 2,20 1.569,22 29.929,23 1,25 6,27 0.438,28 2.566,29 91.613,30 0.569,31 12.678,32 1.054,34 1.899,35 2,36 0.261,37 4.645,38 4.645,40 6.981,41 6.981,42 1,43 17.993,44 4.315,45 19.432,46 3.775,48 25.594,49 0.782,50 16.835,51 4.754,52 13.077,53 5.345,54 23.704,55 2,56 21.823,57 27.491,59 1.862,60 1,61 1,62 1.374,63 1,64 2.937,65 22.023,66 29.395,67 22.316,68 4.745,69 2.522,70 24.803,71 5.1}
{0 CHEMBL1971649,4 17.267,7 92.93,10 1,12 1,13 8.876,14 8.876,15 6.264,16 1,19 3,20 -0.525,22 35.512,23 1,25 3,27 0.346,28 2.044,29 106.573,30 0.306,31 12.557,32 1.062,34 19.236,36 0.213,37 4.597,38 4.597,40 6.738,41 6.738,42 1,43 17.624,44 3.636,45 18.303,46 3.802,48 25.308,49 0.535,50 16.516,51 4.564,52 13.14,53 5.221,54 23.456,56 21.611,57 27.165,59 1.628,60 2,61 1,62 1.325,64 3.12,65 21.679,66 29.029,67 21.744,68 4.997,69 2.912,70 24.143,71 5.1}
{0 CHEMBL1971694,4 16.976,7 88.61,8 56.697,13 7.139,14 7.139,22 23.708,23 2,27 0.426,28 1.325,29 67.069,30 0.376,31 11.813,32 0.893,33 4.727,34 19.616,36 0.28,37 4.392,38 4.392,40 6.244,41 6.244,42 1,43 16.484,44 3.235,45 15.724,46 3.522,48 24.026,49 0.263,50 15.425,51 3.761,52 12.432,53 4.959,54 22.234,55 3,56 20.45,57 25.824,59 1.489,61 1,62 1.061,64 2.454,65 29.118,66 27.628,67 20.286,68 4.407,69 0.8,70 22.575,71 5.1}
{0 CHEMBL1971801,4 14.962,7 74.43,13 8.753,14 8.753,16 3,20 -0.178,22 15.732,23 2,25 3,27 0.336,28 1.087,29 58.471,30 0.087,31 12.017,32 0.667,33 2.708,34 2.328,35 1,36 0.138,37 4.418,38 4.418,40 6.511,41 6.511,42 1,43 17.023,44 2.06,45 16.965,46 3.221,48 24.731,49 0.086,50 15.923,51 4.143,52 12.462,53 5.1,54 22.888,56 21.05,57 26.577,59 1.26,61 1,62 0.547,63 1,64 2.635,65 9.804,66 28.425,67 21.106,68 4.205,69 2.117,70 23.456,71 5.1}
{0 CHEMBL1971943,4 23.916,7 101.74,8 63.277,12 3,13 9.827,14 9.827,15 5.509,16 7,18 1,19 2,22 46.258,23 2,25 4,27 0.941,28 1.715,29 163.323,30 0.874,31 12.641,32 1.202,33 4.727,34 88.139,35 1,36 0.445,37 4.625,38 4.625,39 1,40 6.779,41 6.779,42 1,43 17.825,44 3.595,45 18.002,46 3.863,48 25.427,49 0.391,50 16.704,51 4.654,52 13.198,53 5.246,54 23.563,55 1,56 21.707,57 27.297,59 1.763,61 1,62 1.157,63 1,64 3.059,65 34.447,66 29.173,67 21.976,68 5.094,69 1.72,70 24.388,71 5.1}
{0 CHEMBL1971947,3 1,4 21.7,7 121.17,8 82.347,12 2,13 8.762,14 8.762,15 6.267,16 4,19 3,20 -0.297,22 62.642,24 1.584,25 4,27 0.141,28 3.112,29 91.613,30 0.278,31 12.78,32 1.057,33 4.727,34 53.182,36 0.203,37 4.734,38 4.734,40 6.972,41 6.972,43 17.987,44 4.107,45 19.204,46 3.825,48 25.558,49 0.646,50 16.838,51 4.844,52 13.368,53 5.359,54 23.675,56 21.803,57 27.451,59 1.896,60 1,62 1.381,64 2.971,65 23.24,66 29.351,67 22.317,68 5.085,69 2.912,70 24.795,71 5.1}
{0 CHEMBL1972119,4 26.632,7 79.38,11 0.86,12 3,13 9.972,14 9.972,16 6,17 0.8,20 -0.619,22 32.987,23 3,25 4,27 0.946,28 2.162,29 114.596,30 0.859,31 12.643,32 0.613,34 8.932,36 1.089,37 4.696,38 4.696,39 1,40 7.295,41 7.295,42 1,43 18.609,44 3.598,45 20.345,46 3.592,48 26.153,49 0.688,50 17.415,51 4.615,52 13.169,53 5.423,54 24.213,55 1,56 22.282,57 28.099,58 2,59 1.69,61 1,62 1.376,63 1,64 3.132,65 145.556,66 30.051,67 22.903,68 4.924,69 5.335,70 25.418,71 5.1}
{0 CHEMBL1972125,3 2,4 13.045,5 1,7 107.02,8 87.432,10 1,12 5,13 10.301,14 10.301,15 12.497,16 4,18 1,19 3,20 -0.117,22 40.906,23 1,25 7,27 0.351,28 2.838,29 118.725,30 0.378,31 12.746,32 1.022,33 4.727,34 13.915,36 0.104,37 4.527,38 4.527,39 1,40 6.605,41 6.605,43 17.774,44 4.177,45 17.488,46 3.827,48 25.472,49 0.848,50 16.674,51 4.762,52 13.27,53 5.184,54 23.623,56 21.781,57 27.324,59 1.893,60 3,62 1.319,64 3.004,65 19.2,66 29.181,67 21.877,68 5.037,69 1.72,70 24.245,71 5.1}
{0 CHEMBL1972142,4 7.745,7 57.78,8 59.653,12 1,13 8.907,14 8.907,16 3,20 -0.082,22 23.841,25 5,27 0.21,28 1.833,29 41.93,30 0.233,31 12.318,32 1.064,33 4.595,34 11.771,36 0.133,37 4.469,38 4.469,40 6.316,41 6.316,42 1,43 17.014,44 3.636,45 16.18,46 3.805,48 24.737,49 0.61,50 15.956,51 4.382,52 12.897,53 5.062,54 22.932,56 21.131,57 26.545,59 1.692,61 1,62 1.155,64 2.729,65 13.606,66 28.356,67 20.93,68 4.677,69 2.162,70 23.213,71 5.1}
{0 CHEMBL1972152,4 6.168,7 88.86,8 95.841,13 9.321,14 9.321,16 7,21 1,22 49.882,23 1,25 4,27 0.371,28 1.746,29 85.639,30 0.142,31 12.468,32 0.822,33 5.687,34 17.22,36 0.217,37 4.683,38 4.683,40 6.8,41 6.8,42 1,43 17.853,44 2.708,45 18.733,46 3.686,48 25.331,49 0.396,50 16.698,51 4.522,52 12.912,53 5.311,54 23.457,55 1,56 21.589,57 27.209,59 1.409,61 1,62 0.908,63 1,64 2.827,65 8.984,66 29.092,67 21.913,68 4.691,69 7.04,70 24.346,71 5.1}
{0 CHEMBL1972158,3 2,4 11.544,5 2,6 1,7 85.41,8 135.793,12 3,13 10.117,14 10.117,15 6.02,16 5,19 2,21 1,22 24.221,25 13,26 1.947,27 0.195,28 2.325,29 82.764,30 0.281,31 12.739,32 1.014,33 5.416,34 2.757,36 0.094,37 4.632,38 4.632,40 6.914,41 6.914,42 1,43 18.033,44 4.059,45 18.911,46 3.8,48 25.631,49 0.494,50 16.887,51 4.804,52 13.192,53 5.255,54 23.743,55 1,56 21.862,57 27.524,58 1,59 1.747,60 1,61 1,62 1.116,64 2.745,65 10.683,66 29.422,67 22.358,68 4.913,69 1.043,70 24.812,71 5.1}
{0 CHEMBL1972183,4 17.429,7 25.36,8 65.446,12 2,13 7.75,14 7.75,16 4,18 1,22 28.451,25 4,27 0.193,28 1.751,29 27.785,30 0.125,31 11.869,32 0.805,33 4.595,36 0.166,37 4.082,38 4.082,39 1,40 6.037,41 6.037,42 1,43 16.094,44 3.669,45 14.442,46 3.723,48 23.886,49 0.734,50 15.11,51 3.829,52 12.214,53 4.852,54 22.134,56 20.387,57 25.642,58 1,59 1.763,61 1,62 1.094,64 2.728,65 16.168,66 27.402,67 19.775,68 3.98,69 1.72,70 21.954,71 5.1}
{0 CHEMBL1972221,4 13.507,7 112.33,8 68.676,12 6,13 10.461,14 10.461,16 2,20 -0.1,22 26.846,25 5,27 0.483,28 2.24,29 86.121,30 0.246,31 12.477,32 0.997,33 4.727,34 4.472,35 1,36 0.376,37 4.697,38 4.697,40 6.74,41 6.74,42 1,43 18.091,44 3.777,45 17.775,46 3.793,48 25.544,49 0.695,50 16.951,51 4.511,52 13.316,53 5.169,54 23.672,55 1,56 21.806,57 27.419,59 1.829,61 1,62 1.296,63 1,64 3.112,65 60.456,66 29.298,67 22.175,68 5.19,69 3.306,70 24.565,71 5.1}
{0 CHEMBL1972250,4 16.406,7 74.59,8 79.893,11 0.68,12 4,13 9.721,14 9.721,16 6,18 1,22 31.976,25 8,27 0.184,28 2.1,29 98.829,30 0.111,31 12.739,32 0.846,33 5.476,34 54.88,35 2,36 0.125,37 4.678,38 4.678,39 1,40 6.941,41 6.941,42 1,43 18.199,44 3.421,45 19.308,46 3.638,48 25.635,49 0.358,50 17.026,51 4.86,52 13.174,53 5.356,54 23.749,56 21.869,57 27.528,58 1,59 1.584,61 1,62 1.194,63 1,64 3.171,65 17.438,66 29.426,67 22.38,68 4.808,69 4.069,70 24.845,71 5.1}
{0 CHEMBL1972258,3 1,4 6.973,5 1,7 61.03,10 1,13 6.962,14 6.962,15 5.423,16 5,18 1,22 20.847,23 1,25 4,27 0.187,28 0.986,29 77.468,30 0.131,31 11.48,32 0.903,36 0.115,37 4.112,38 4.112,39 1,40 5.607,41 5.607,42 1,43 15.217,44 3.282,45 13.339,46 3.457,48 22.968,49 0.417,50 14.299,51 3.555,52 12.041,53 4.724,54 21.278,56 19.591,57 24.661,59 1.448,61 1,62 0.966,64 2.289,65 17.142,66 26.357,67 18.756,68 3.726,69 1.72,70 20.877,71 5.1}
{0 CHEMBL1972276,1 1,3 1,4 18.827,5 1,7 99.93,8 57.388,10 1,11 0.4,12 1,13 9.047,14 9.047,15 5.439,16 7,19 1,20 -0.491,22 30.548,23 2,25 5,27 0.348,28 1.854,29 91.613,30 0.296,31 12.422,32 1.165,33 4.727,34 4.472,35 2,36 0.235,37 4.623,38 4.623,40 6.694,41 6.694,42 1,43 17.53,44 3.767,45 17.909,46 3.618,47 1,48 25.131,49 0.869,50 16.409,51 4.477,52 12.916,53 5.213,54 23.279,56 21.434,57 26.989,58 1,59 1.719,60 1,61 1,62 1.455,63 1,64 2.788,65 30.209,66 28.852,67 21.639,68 4.732,69 1.96,70 24.034,71 5.1}
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{0 CHEMBL1972584,4 33.225,6 2,7 127.2,8 213.012,10 3,11 0.8,12 4,13 11.057,14 11.057,15 6.397,16 14,17 0.555,19 1,20 -0.003,22 50.759,23 3,25 12,26 3.949,27 0.56,28 4.962,29 133.421,30 0.502,31 13.269,32 0.941,33 5.533,34 7.229,36 0.377,37 4.761,38 4.761,40 7.049,41 7.049,43 18.698,44 4.525,45 19.668,46 3.819,48 26.232,49 0.918,50 17.535,51 5.357,52 13.635,53 5.382,54 24.344,55 3,56 22.463,57 28.126,58 1,59 1.984,62 1.649,63 2,64 3.387,65 34.658,66 30.026,67 22.957,68 5.414,69 3.348,70 25.431,71 5.1}
{0 CHEMBL1972659,4 16.025,7 61.69,11 0.219,13 10.232,14 10.232,16 3,20 0.757,22 35.488,25 5,27 0.206,28 2.691,29 84.491,30 0.354,31 12.54,32 0.748,36 0.108,37 4.525,38 4.525,40 6.743,41 6.743,42 1,43 17.768,44 3.579,45 18.278,46 3.559,48 25.461,49 0.647,50 16.646,51 4.543,52 13.087,53 5.168,54 23.593,56 21.729,57 27.335,59 1.689,61 1,62 1.296,64 3.048,65 15.292,66 29.212,67 21.982,68 4.89,69 3.473,70 24.392,71 5.1}
{0 CHEMBL1972820,4 14.19,7 96.6,8 41.046,11 0.8,12 2,13 9.538,14 9.538,16 7,20 -2.294,22 22.633,23 2,25 8,27 0.786,28 1.437,29 160.801,30 0.289,31 12.544,32 0.953,33 4.949,36 0.347,37 4.636,38 4.636,40 7.078,41 7.078,42 1,43 18.318,44 2.99,45 19.657,46 3.379,48 25.799,49 0.183,50 17.13,51 4.443,52 12.968,53 5.36,54 23.888,55 2,56 21.983,57 27.715,58 1,59 1.341,61 1,62 0.961,63 1,64 3.256,65 56.363,66 29.637,67 22.585,68 4.705,69 2.873,70 25.087,71 5.1}
{0 CHEMBL1972840,3 2,4 8.592,7 105.06,8 128.076,12 1,13 9.914,14 9.914,15 6.34,16 4,18 1,19 1,22 59.413,24 1.724,25 4,27 0.252,28 3.045,29 77.468,30 0.257,31 12.621,32 1.03,33 5.416,34 16.019,36 0.112,37 4.527,38 4.527,39 1,40 6.533,41 6.533,42 1,43 17.591,44 3.822,45 17.025,46 3.785,48 25.18,49 0.698,50 16.494,51 4.654,52 13.156,53 5.172,54 23.344,56 21.514,57 27.02,59 1.86,60 1,61 1,62 1.246,64 2.894,65 17.846,66 28.865,67 21.605,68 4.956,69 1.72,70 23.952,71 5.1}
{0 CHEMBL1972849,4 8.912,7 93.75,8 186.255,12 6,13 12.156,14 12.156,16 6,22 37.72,23 2,25 13,27 1.264,28 2.149,29 148.885,30 0.785,31 13.071,32 0.935,33 5.82,34 56.219,35 2,36 0.519,37 4.775,38 4.775,40 7.422,41 7.422,42 1,43 19.145,44 3.918,45 20.845,46 3.831,47 1,48 26.641,49 0.469,50 17.931,51 5.112,52 13.562,53 5.496,54 24.685,55 5,56 22.735,57 28.603,58 3,59 1.728,61 1,62 1.313,63 2,64 3.105,65 38.298,66 30.569,67 23.559,68 5.301,70 26.107,71 5.1}
{0 CHEMBL1972937,4 13.776,7 82.69,8 61.633,11 0.86,13 7.716,14 7.716,16 5,17 0.624,18 1,20 1.066,22 50.354,25 6,27 0.183,28 1.76,29 52.93,30 0.324,31 12.066,32 1.037,33 4.727,34 0.693,36 0.19,37 4.317,38 4.317,39 1,40 6.18,41 6.18,42 1,43 16.604,44 3.299,45 15.528,46 3.759,48 24.135,49 0.337,50 15.561,51 4.06,52 12.599,53 5.033,54 22.367,56 20.604,57 25.91,59 1.518,61 1,62 1.062,63 1,64 3.047,65 16.193,66 27.689,67 20.255,68 4.35,69 7.134,70 22.511,71 5.1}
{0 CHEMBL1973098,4 10.189,7 122.65,8 47.816,11 0.86,13 8.667,14 8.667,16 1,17 0.524,18 1,20 0.779,22 46.904,25 4,27 0.296,28 1.436,29 124.02,30 0.311,31 11.851,32 1.598,33 4.727,36 0.246,37 4.322,38 4.322,39 1,40 6.165,41 6.165,42 1,43 16.698,44 2.822,45 15.413,46 3.407,48 24.308,49 0.158,50 15.64,51 3.611,52 12.467,53 4.999,54 22.515,56 20.727,57 26.104,59 1.326,61 1,62 0.652,64 3.152,65 20.514,66 27.902,67 20.389,68 4.35,69 8.638,70 22.65,71 5.4}
{0 CHEMBL1973142,1 1,4 11.831,7 100.43,8 35.153,11 0.149,13 8.751,14 8.751,15 5.286,16 1,19 1,20 -0.93,22 55.122,23 1,24 1.165,25 1,27 0.35,28 2.309,29 161.484,30 0.629,31 12.332,32 0.335,33 4.844,34 2.104,36 0.266,37 4.749,38 4.749,40 7.012,41 7.012,42 1,43 18.063,44 2.765,45 19.378,46 3.477,48 25.543,50 16.876,51 4.277,52 12.899,53 5.386,54 23.632,56 21.729,57 27.459,58 1,59 1.265,60 1,61 1,62 0.762,64 3.397,65 34.994,66 29.38,67 22.371,68 4.783,69 3.306,70 24.874,71 5.1}
{0 CHEMBL1973145,3 2,4 20.473,7 147.19,8 65.647,10 1,12 1,13 8.204,14 8.204,15 11.69,16 3,19 4,20 -0.299,22 57.741,23 1,24 1.463,25 2,27 0.23,28 2.462,29 124.51,30 0.264,31 12.589,32 0.902,33 4.727,34 20.274,36 0.274,37 4.683,38 4.683,40 6.892,41 6.892,42 1,43 17.796,44 3.59,45 18.713,46 3.802,48 25.353,49 0.582,50 16.654,51 4.615,52 13.129,53 5.317,54 23.475,55 1,56 21.609,57 27.239,59 1.617,60 1,61 1,62 1.261,64 2.746,65 25.76,66 29.133,67 22.065,68 4.997,69 2.912,70 24.526,71 5.1}
{0 CHEMBL1973211,4 27.434,7 111.52,8 186.396,11 0.249,12 3,13 8.757,14 8.757,15 6.289,16 5,17 0.247,19 3,20 -0.282,22 70.842,24 1.634,25 3,27 0.206,28 3.239,29 74.828,30 0.211,31 12.775,32 0.99,33 5.283,34 53.182,36 0.281,37 4.732,38 4.732,40 6.972,41 6.972,43 17.988,44 4.142,45 19.202,46 3.806,48 25.558,49 0.996,50 16.838,51 4.82,52 13.304,53 5.36,54 23.675,56 21.803,57 27.451,58 1,59 1.791,60 1,62 1.448,64 3.018,65 27.371,66 29.351,67 22.317,68 5.037,69 2.912,70 24.794,71 5.1}
{0 CHEMBL1973348,3 2,4 14.646,5 1,7 107.02,8 90.486,10 1,12 4,13 10.301,14 10.301,15 12.503,16 4,18 1,19 3,20 -0.194,22 44.406,23 1,25 7,27 0.378,28 2.976,29 157.873,30 0.44,31 12.787,32 1.022,33 4.727,34 13.915,36 0.102,37 4.527,38 4.527,39 1,40 6.609,41 6.609,43 17.806,44 4.215,45 17.54,46 3.926,48 25.49,49 0.848,50 16.707,51 4.804,52 13.317,53 5.188,54 23.645,56 21.805,57 27.342,59 1.889,60 3,62 1.314,64 3.007,65 21.58,66 29.197,67 21.893,68 5.121,69 1.72,70 24.262,71 5.1}
{0 CHEMBL1973395,4 11.835,7 65.04,8 40.473,13 8.845,14 8.845,16 5,22 22.268,23 3,25 3,27 0.349,28 2.227,29 76.254,30 0.201,31 12.5,32 0.858,33 4.727,34 14.099,36 0.18,37 4.696,38 4.696,40 6.984,41 6.984,42 1,43 17.903,44 3.616,45 19.29,46 3.669,48 25.499,49 0.593,50 16.737,51 4.575,52 12.841,53 5.331,54 23.594,55 2,56 21.697,57 27.409,59 1.617,61 1,62 1.132,63 1,64 2.558,65 17.069,66 29.325,67 22.35,68 4.543,69 1.2,70 24.842,71 5.1}
{0 CHEMBL1973399,1 1,4 12.539,7 100.43,8 22.102,11 0.4,13 7.861,14 7.861,15 5.144,16 2,19 1,20 -0.397,22 53.057,23 2,24 1.276,25 1,27 0.312,28 1.447,29 83.187,30 0.16,31 11.856,33 4.727,34 13.13,36 0.166,37 4.536,38 4.536,40 6.768,41 6.768,42 1,43 17.399,44 1.255,45 18.246,46 3.339,48 25.019,50 16.252,51 3.638,52 12.391,53 5.231,54 23.132,56 21.25,57 26.909,58 1,59 1.15,61 1,62 0.395,64 2.712,65 29.845,66 28.802,67 21.627,68 4.182,69 2.555,70 24.058,71 4.1}
{0 CHEMBL1973483,4 20.633,7 66.91,11 1.656,12 2,13 11.69,14 11.69,16 5,17 0.247,20 -0.917,22 20.02,23 2,25 3,27 1.501,28 1.555,29 148.477,30 1.204,31 12.552,32 0.934,34 6.604,36 1.487,37 4.584,38 4.584,40 7.121,41 7.121,42 1,43 18.84,44 3.273,45 18.841,46 3.598,48 26.382,49 0.254,50 17.654,51 4.5,52 13.273,53 5.278,54 24.442,56 22.506,57 28.326,58 1,59 1.572,61 1,62 1.113,63 1,64 3.569,65 256.696,66 30.273,67 22.966,68 5.047,69 5.335,70 25.428,71 5.1}
{0 CHEMBL1973711,4 15.547,7 112.88,10 1,11 1.041,13 8.932,14 8.932,15 5.704,16 6,17 0.8,18 1,19 3,20 -1.704,22 35.71,23 3,25 6,27 0.641,28 1.652,29 164.395,30 0.498,31 12.609,32 0.268,36 0.331,37 4.749,38 4.749,39 1,40 7.133,41 7.133,42 1,43 18.316,44 2.455,45 20.011,46 3.408,48 25.806,49 0.032,50 17.117,51 4.663,52 13.064,53 5.456,54 23.886,56 21.973,57 27.733,58 3,59 1.329,60 1,61 1,62 0.928,63 3,64 3.358,65 38.016,66 29.666,67 22.744,68 4.732,69 4.069,70 25.28,71 5.3}
{0 CHEMBL1973808,4 9.121,7 57.78,8 43.987,12 2,13 8.663,14 8.663,16 2,20 -0.167,22 18.865,25 4,27 0.274,28 1.282,29 80.957,30 0.191,31 12.01,32 1.135,33 4.595,34 2.144,35 1,36 0.127,37 4.43,38 4.43,40 6.201,41 6.201,42 1,43 16.673,44 3.069,45 15.612,46 3.535,48 24.37,49 0.218,50 15.626,51 4.007,52 12.67,53 4.974,54 22.577,56 20.788,57 26.167,59 1.46,61 1,62 0.918,64 2.902,65 11.171,66 27.967,67 20.486,68 4.543,69 2.117,70 22.751,71 5.1}
{0 CHEMBL1973860,4 7.215,7 73.39,8 46.816,13 8.639,14 8.639,16 2,22 47.228,24 1.702,25 2,27 0.102,28 1.63,29 59.469,30 0.067,31 12.055,32 1.229,33 4.443,34 25.87,35 1,36 0.111,37 4.474,38 4.474,40 6.304,41 6.304,42 1,43 16.774,44 3.211,45 16.099,46 3.485,48 24.441,49 0.456,50 15.705,51 4.19,52 12.598,53 5.069,54 22.632,56 20.828,57 26.253,59 1.398,61 1,62 1.07,64 2.416,65 13.778,66 28.068,67 20.696,68 4.407,69 0.8,70 22.992,71 5.1}
{0 CHEMBL1973893,4 12.295,7 112.33,8 65.697,12 6,13 10.457,14 10.457,16 2,20 -0.187,22 24.312,25 4,27 0.425,28 2.185,29 86.121,30 0.247,31 12.455,32 1.027,33 4.727,34 4.472,35 1,36 0.382,37 4.697,38 4.697,40 6.74,41 6.74,42 1,43 18.086,44 3.663,45 17.763,46 3.793,48 25.537,49 0.694,50 16.946,51 4.477,52 13.306,53 5.167,54 23.664,55 1,56 21.796,57 27.413,59 1.803,61 1,62 1.199,63 1,64 3.108,65 58.734,66 29.293,67 22.172,68 5.19,69 3.306,70 24.562,71 5.1}
{0 CHEMBL1973937,4 18.955,7 95.83,8 64.82,12 1,13 8.549,14 8.549,15 6.076,16 2,19 3,20 -0.303,21 1,22 29.446,25 3,27 0.221,28 2.279,29 74.705,30 0.207,31 12.608,32 0.869,33 4.727,34 4.276,36 0.195,37 4.713,38 4.713,40 6.958,41 6.958,42 1,43 17.918,44 3.695,45 19.119,46 3.83,48 25.495,49 0.366,50 16.766,51 4.605,52 13.155,53 5.304,54 23.608,56 21.73,57 27.391,59 1.754,60 1,61 1,62 1.222,64 2.936,65 19.061,66 29.294,67 22.243,68 4.997,69 2.912,70 24.719,71 5.2}
{0 CHEMBL1974157,4 12.962,7 93.35,11 0.473,12 1,13 8.163,14 8.163,16 2,20 -0.583,22 16.367,23 1,25 2,27 0.416,28 1.163,29 141.571,30 0.346,31 11.839,32 0.866,36 0.126,37 4.306,38 4.306,40 6.069,41 6.069,42 1,43 16.336,44 3.269,45 15,46 3.612,48 24.161,49 0.218,50 15.325,51 3.738,52 12.624,53 4.877,54 22.392,56 20.628,57 25.933,59 1.458,61 1,62 1.062,63 1,64 3.039,65 18.216,66 27.708,67 20.016,68 4.369,69 4.069,70 22.239,71 5.5}
{0 CHEMBL1974254,4 23.439,5 2,6 1,7 135.33,8 176.124,11 0.247,12 8,13 9.649,14 9.649,15 6.288,16 7,18 1,19 3,20 -0.322,22 69.292,24 1.628,25 6,26 1.768,27 0.209,28 3.305,29 102.491,30 0.461,31 12.885,32 1.064,33 5.352,34 30.892,35 1,36 0.31,37 4.748,38 4.748,39 1,40 7.013,41 7.013,43 18.167,44 4.049,45 19.547,46 3.859,48 25.726,49 0.777,50 17.01,51 4.956,52 13.359,53 5.396,54 23.838,56 21.96,57 27.623,59 1.8,60 1,62 1.515,64 2.896,65 28.676,66 29.527,67 22.504,68 5.165,69 2.912,70 24.988,71 5.1}
{0 CHEMBL1974288,4 8.463,7 62.22,13 9.036,14 9.036,16 3,20 -0.209,22 17.447,25 3,27 0.171,28 1.631,29 84.614,30 0.165,31 12.108,32 1.008,35 1,36 0.127,37 4.289,38 4.289,40 6.215,41 6.215,42 1,43 16.752,44 3.506,45 15.711,46 3.685,48 24.638,49 0.257,50 15.714,51 4.111,52 12.61,53 4.977,54 22.833,56 21.03,57 26.446,59 1.672,61 1,62 1.062,64 2.841,65 22.514,66 28.255,67 20.77,68 4.29,69 2.162,70 23.032,71 5.1}
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{0 CHEMBL1974328,1 1,3 3,4 25.341,7 118.95,9 1,10 1,11 0.4,12 2,13 8.729,14 8.729,15 11.615,19 1,20 -0.622,22 28.198,23 2,27 0.467,28 2.108,29 124.51,30 0.323,31 12.25,32 1.107,34 4.656,35 1,36 0.172,37 4.381,38 4.381,40 6.438,41 6.438,42 1,43 17.002,44 3.78,45 16.567,46 3.708,48 24.749,49 0.73,50 15.941,51 4.304,52 12.652,53 5.06,54 22.935,56 21.127,57 26.568,59 1.563,60 2,61 1,62 1.365,63 1,64 2.876,65 29.874,66 28.392,67 20.969,68 4.527,69 1.96,70 23.283,71 5.1}
{0 CHEMBL1974416,4 9.723,7 57.78,8 58.246,12 2,13 10.142,14 10.142,16 2,20 -0.736,22 39.548,25 3,27 0.604,28 1.815,29 71.851,30 0.427,31 12.554,32 0.937,33 4.727,34 41.691,36 0.22,37 4.611,38 4.611,40 6.719,41 6.719,42 1,43 17.794,44 3.514,45 18.076,46 3.753,48 25.454,49 0.373,50 16.67,51 4.543,52 13.115,53 5.21,54 23.586,56 21.724,57 27.326,59 1.644,61 1,62 1.074,64 3.157,65 22.486,66 29.202,67 21.963,68 4.902,69 2.117,70 24.37,71 5.1}
{0 CHEMBL1974457,4 3.905,7 78.43,8 34.815,12 1,13 8.608,14 8.608,16 1,20 -0.966,22 52.357,24 1.163,25 5,27 0.288,28 1.916,29 99.574,30 0.283,31 12.283,32 1.099,33 4.727,34 17.064,36 0.229,37 4.629,38 4.629,40 6.73,41 6.73,42 1,43 17.518,44 2.779,45 18.231,46 3.457,48 25.092,49 0.135,50 16.385,51 4.331,52 12.843,53 5.266,54 23.228,56 21.37,57 26.962,58 1,59 1.148,61 1,62 0.855,64 2.883,65 38.005,66 28.837,67 21.681,68 4.677,69 2.873,70 24.101,71 5.3}
{0 CHEMBL1974664,4 12.326,7 84.42,8 42.059,12 1,13 9.124,14 9.124,16 4,18 2,22 25.006,23 2,25 7,27 0.316,28 1.866,29 72.234,30 0.329,31 12.568,32 0.866,33 4.844,34 6.616,36 0.293,37 4.743,38 4.743,39 2,40 6.858,41 6.858,42 1,43 17.893,44 3.423,45 18.8,46 3.604,48 25.426,49 0.574,50 16.745,51 4.605,52 13.13,53 5.301,54 23.55,55 1,56 21.681,57 27.308,58 1,59 1.58,61 1,62 1.35,64 2.656,65 21.502,66 29.195,67 22.103,68 4.913,69 1.72,70 24.544,71 5.1}
{0 CHEMBL1974702,4 11.76,7 71.34,8 19.959,11 0.146,13 8.973,14 8.973,16 3,20 -0.019,22 57.273,24 1.338,25 3,27 0.284,28 2.936,29 92.079,30 0.235,31 12.479,32 0.997,33 4.844,34 2.104,36 0.3,37 4.782,38 4.782,39 1,40 7.044,41 7.044,42 1,43 18.198,44 2.184,45 19.56,46 3.768,48 25.615,50 17.003,51 4.489,52 12.964,53 5.418,54 23.702,55 2,56 21.796,57 27.534,59 1.076,61 1,62 0.488,63 1,64 2.967,65 22.341,66 29.458,67 22.488,68 4.783,69 3.768,70 25,71 5.1}
{0 CHEMBL1974803,4 15.484,7 73.32,13 9.22,14 9.22,20 -1.185,22 27.52,25 1,27 0.65,28 2.094,29 227.958,30 0.754,31 12.614,32 0.665,36 0.304,37 4.712,38 4.712,40 7.104,41 7.104,42 1,43 18.238,44 3.272,45 19.837,46 3.662,48 25.769,49 0.12,50 17.051,51 4.635,52 13.062,53 5.369,54 23.855,56 21.949,57 27.69,59 1.197,61 1,62 0.855,64 3.101,65 32.074,66 29.617,67 22.654,68 4.879,69 2.117,70 25.18,71 5.5}
{0 CHEMBL1974870,3 2,4 12.618,7 76.82,8 69.355,12 1,13 8.979,14 8.979,15 6.221,16 4,18 1,19 2,22 32.902,25 7,27 0.257,28 2.226,29 116.494,30 0.391,31 12.455,32 0.979,33 4.727,34 2.757,36 0.097,37 4.558,38 4.558,39 1,40 6.522,41 6.522,42 1,43 17.295,44 3.785,45 16.757,46 3.805,48 24.917,49 0.733,50 16.212,51 4.489,52 13.001,53 5.15,54 23.095,56 21.281,57 26.745,59 1.771,60 1,61 1,62 1.218,64 2.955,65 18.374,66 28.578,67 21.247,68 4.856,69 1.72,70 23.58,71 5.1}
{0 CHEMBL1974935,3 1,4 8.592,7 76.82,8 67.608,12 1,13 7.776,14 7.776,15 6.297,16 4,18 1,19 1,22 26.644,25 5,27 0.223,28 2.052,29 77.468,30 0.212,31 12.304,32 0.951,33 4.727,34 13.915,36 0.123,37 4.527,38 4.527,39 1,40 6.533,41 6.533,42 1,43 17.035,44 3.806,45 17.025,46 3.76,48 24.682,49 0.693,50 15.96,51 4.304,52 12.865,53 5.122,54 22.858,56 21.044,57 26.514,59 1.856,60 1,61 1,62 1.245,64 2.571,65 19.804,66 28.353,67 21.086,68 4.62,69 1.72,70 23.435,71 5.1}
{0 CHEMBL1975121,4 13.021,7 51.22,11 0.473,12 2,13 8.928,14 8.928,16 5,18 1,20 -0.1,22 22.69,25 5,27 0.166,28 1.735,29 52.93,30 0.252,31 12.17,32 0.904,35 1,36 0.167,37 4.29,38 4.29,39 1,40 6.185,41 6.185,42 1,43 16.793,44 3.611,45 15.639,46 3.688,48 24.634,49 0.57,50 15.758,51 4.174,52 12.703,53 4.974,54 22.839,56 21.047,57 26.433,59 1.68,61 1,62 1.062,64 2.843,65 20.378,66 28.233,67 20.7,68 4.46,69 2.162,70 22.955,71 5.1}
{0 CHEMBL1975128,4 11.612,5 2,6 1,7 85.41,8 110.563,12 1,13 9.965,14 9.965,15 5.907,16 5,19 2,21 2,22 19.509,25 11,26 1.897,27 0.199,28 2.072,29 82.764,30 0.236,31 12.475,32 0.979,33 5.416,36 0.107,37 4.588,38 4.588,40 6.666,41 6.666,42 1,43 17.693,44 3.527,45 17.875,46 3.871,48 25.295,49 0.412,50 16.571,51 4.454,52 13.024,53 5.151,54 23.434,55 1,56 21.578,57 27.16,58 1,59 1.66,60 1,61 1,62 1.062,64 2.74,65 8.977,66 29.029,67 21.756,68 4.808,69 1.043,70 24.142,71 5.1}
{0 CHEMBL1975138,4 18.565,7 105.48,11 1.214,13 7.488,14 7.488,17 0.142,20 -0.614,22 23.238,25 2,27 0.498,28 1.853,29 127.98,30 0.436,31 12.478,32 0.771,34 15.245,35 1,36 0.182,37 4.793,38 4.793,40 8.082,41 8.082,42 1,43 19.453,44 3.852,45 23.242,46 3.765,48 27.188,49 0.346,50 18.163,51 4.234,52 13.07,53 5.663,54 25.11,56 23.037,57 29.27,59 1.713,61 1,62 1.062,64 3.085,65 19.878,66 31.354,67 24.541,68 4.635,69 4.129,70 27.275,71 5.3}
{0 CHEMBL1975208,4 19.939,7 115.65,8 64.253,11 0.8,12 3,13 10.039,14 10.039,16 6,17 0.149,20 -1.503,22 34.469,23 4,25 3,27 1.073,28 1.84,29 184.188,30 0.955,31 12.661,32 0.864,33 4.595,34 17.288,35 1,36 0.508,37 4.736,38 4.736,40 6.99,41 6.99,42 1,43 18.206,44 3.485,45 19.484,46 3.544,48 25.775,49 0.695,50 17.038,51 4.673,52 13.103,53 5.353,54 23.881,55 2,56 21.993,57 27.675,58 1,59 1.615,61 1,62 1.176,63 2,64 3.469,65 66.781,66 29.58,67 22.426,68 4.977,69 3.344,70 24.903,71 5.1}
{0 CHEMBL1975233,4 20.274,7 99.93,11 0.86,12 3,13 7.619,14 7.619,16 1,17 0.247,18 1,20 -0.53,22 24.047,23 1,25 2,27 0.499,28 1.193,29 139.924,30 0.464,31 12.004,32 0.824,34 6.604,35 2,36 0.374,37 4.37,38 4.37,39 1,40 6.281,41 6.281,42 1,43 16.718,44 3.222,45 16.216,46 3.496,48 24.369,49 0.265,50 15.663,51 3.951,52 12.689,53 5.021,54 22.585,56 20.807,57 26.158,59 1.534,61 1,62 0.949,63 2,64 3.259,65 28.852,66 27.953,67 20.459,68 4.543,69 4.069,70 22.753,71 5.1}
{0 CHEMBL1975256,4 12.198,5 1,6 1,7 193.59,8 298,9 1,10 1,12 2,13 9.3,14 9.3,15 5.739,20 -0.512,22 80.146,23 3,24 2.919,25 4,26 1.315,27 0.543,28 1.618,29 157.063,30 0.663,31 12.569,32 0.714,33 5.938,34 33.672,35 1,36 0.327,37 4.653,38 4.653,40 7.009,41 7.009,42 1,43 18.011,44 3.445,45 19.472,46 3.909,48 25.62,49 0.436,50 16.845,51 4.533,52 13.035,53 5.344,54 23.716,55 3,56 21.821,57 27.529,58 1,59 1.563,61 1,62 1.277,63 6,64 2.747,65 18.979,66 29.443,67 22.439,68 4.677,69 1.96,70 24.932,71 5.1}
{0 CHEMBL1975357,2 1,4 15.768,6 2,7 49.05,8 116.925,12 7,13 10.469,14 10.469,16 9,20 -0.353,22 30.095,25 6,26 3.911,27 0.319,28 2.815,29 52.93,30 0.359,31 12.771,32 1.192,33 5.416,34 23.434,36 0.368,37 4.739,38 4.739,39 1,40 6.989,41 6.989,43 18.514,44 4.148,45 19.646,46 3.61,47 1,48 25.948,49 0.825,50 17.344,51 4.804,52 13.196,53 5.374,54 24.051,55 4,56 22.158,57 27.849,58 2,59 1.769,62 1.376,63 1,64 3.184,65 30.891,66 29.753,67 22.725,68 4.924,69 3.872,70 25.188,71 5.1}
{0 CHEMBL1975418,4 11.401,6 1,7 59.39,8 116.141,12 1,13 9.306,14 9.306,16 4,22 23.777,25 13,26 2.071,27 0.198,28 2.118,29 49.867,30 0.217,31 12.659,32 1.031,33 6.107,34 4.901,36 0.089,37 4.595,38 4.595,40 6.923,41 6.923,42 1,43 17.976,44 3.785,45 18.952,46 3.788,48 25.51,49 0.658,50 16.825,51 4.625,52 13.043,53 5.276,54 23.625,55 1,56 21.747,57 27.402,58 1,59 1.643,61 1,62 1.196,64 2.772,65 11.173,66 29.3,67 22.258,68 4.796,69 1.043,70 24.718,71 5.1}
{0 CHEMBL1975490,3 2,4 24.205,7 102.41,8 140.219,10 1,11 0.473,12 2,13 9.498,14 9.498,15 5.556,16 6,17 0.4,18 1,20 -0.074,22 48.357,23 1,25 8,27 0.372,28 2.49,29 95.335,30 0.293,31 12.779,32 1.072,33 5.416,34 4.836,35 1,36 0.309,37 4.577,38 4.577,39 1,40 6.813,41 6.813,42 1,43 17.927,44 3.997,45 18.644,46 3.761,48 25.461,49 0.708,50 16.796,51 4.883,52 13.201,53 5.277,54 23.599,55 1,56 21.744,57 27.329,59 1.81,61 1,62 1.4,64 3.036,65 26.902,66 29.203,67 22.06,68 4.997,69 2.162,70 24.48,71 5.1}
{0 CHEMBL1975500,4 29.191,7 136.31,11 1.058,12 4,13 9.415,14 9.415,16 4,17 0.86,18 1,20 -0.785,22 44.581,23 1,25 5,27 0.639,28 2.506,29 129.118,30 0.698,31 12.754,32 1.016,33 2.708,35 3,36 0.392,37 4.487,38 4.487,39 1,40 6.546,41 6.546,42 1,43 17.695,44 4.041,45 17.218,46 3.728,48 25.373,49 0.705,50 16.6,51 4.949,52 13.209,53 5.159,54 23.546,56 21.723,57 27.203,59 1.873,62 1.449,64 3.513,65 36.316,66 29.037,67 21.67,68 5.066,69 3.306,70 24.006,71 5.1}
{0 CHEMBL1975534,3 1,4 10.63,5 1,6 1,7 123.21,8 36.472,9 1,10 2,13 8.168,14 8.168,15 11.088,16 3,19 1,22 12.487,23 3,25 1,26 1.735,27 0.593,28 1.548,29 184.732,30 0.301,31 12.169,32 1.261,33 4.844,34 14.099,35 2,36 0.282,37 4.695,38 4.695,40 6.89,41 6.89,42 1,43 17.759,44 3.15,45 18.624,46 3.586,48 25.301,49 0.093,50 16.598,51 4.007,52 12.701,53 5.257,54 23.408,55 2,56 21.522,57 27.199,59 1.384,62 0.975,63 1,64 2.42,65 37.036,66 29.102,67 22.007,68 4.543,70 24.469,71 5.1}
{0 CHEMBL1975647,4 13.35,7 79.8,12 2,13 7.684,14 7.684,16 2,20 -0.493,22 23.199,23 2,25 2,27 0.39,28 1.201,29 90.462,30 0.403,31 12.116,32 0.982,34 21.564,35 1,36 0.285,37 4.575,38 4.575,40 6.669,41 6.669,42 1,43 17.165,44 3.003,45 17.842,46 3.464,48 24.869,49 0.168,50 16.057,51 4.078,52 12.724,53 5.162,54 23.009,56 21.158,57 26.734,58 1,59 1.501,61 1,62 0.874,63 1,64 2.66,65 19.076,66 28.604,67 21.391,68 4.543,69 2.912,70 23.795,71 5.1}
{0 CHEMBL1975787,1 1,3 2,4 6.079,7 84.22,8 37.309,13 9.108,14 9.108,15 5.244,16 1,19 1,20 -0.545,22 65.273,24 1.19,25 5,27 0.549,28 1.961,29 104.748,30 0.396,31 12.386,32 1.42,33 4.727,34 32.024,36 0.252,37 4.649,38 4.649,40 6.804,41 6.804,42 1,43 17.711,44 2.87,45 18.637,46 3.47,48 25.296,49 0.149,50 16.57,51 4.419,52 12.945,53 5.299,54 23.423,56 21.556,57 27.174,58 1,59 1.228,60 2,61 1,62 0.888,64 2.958,65 41.592,66 29.058,67 21.912,68 4.796,69 1.96,70 24.348,71 5.7}
{0 CHEMBL1975900,4 17.812,7 71.09,12 3,13 8.322,14 8.322,16 2,20 -0.57,22 30.83,23 3,27 0.479,28 1.547,29 145.373,30 0.434,31 12.334,32 0.798,36 0.216,37 4.651,38 4.651,40 6.95,41 6.95,42 1,43 18.005,44 3.362,45 19.621,46 3.743,48 25.4,49 0.218,50 16.838,51 4.127,52 12.939,53 5.34,54 23.502,56 21.613,57 27.306,59 1.419,61 1,62 1.013,64 2.85,65 21.359,66 29.217,67 22.1,68 4.635,69 1.315,70 24.599,71 5.1}
{0 CHEMBL1976090,4 6.325,7 131.84,8 16.735,9 1,10 3,13 8.547,14 8.547,15 11.512,16 4,19 2,22 41.713,23 3,24 1.421,25 2,27 0.202,28 1.594,29 132.936,30 0.144,31 12.271,33 4.844,34 5.402,35 1,36 0.189,37 4.786,38 4.786,40 6.972,41 6.972,42 1,43 17.95,44 1.647,45 19.176,46 3.358,48 25.427,50 16.767,51 4.234,52 12.871,53 5.363,54 23.516,55 2,56 21.61,57 27.344,58 1,59 1.274,60 1,61 1,62 0.357,63 2,64 2.03,65 17.246,66 29.264,67 22.268,68 4.691,70 24.76,71 5.1}
{0 CHEMBL1976093,4 14.469,7 71.24,8 65.531,12 2,13 11.007,14 11.007,16 4,22 28.403,23 1,25 6,27 0.569,28 2.167,29 82.102,30 0.234,31 12.777,32 0.991,33 4.844,34 31.387,35 1,36 0.287,37 4.728,38 4.728,40 7.018,41 7.018,42 1,43 18.507,44 4.115,45 19.398,46 3.776,47 1,48 25.942,49 0.774,50 17.335,51 4.844,52 13.254,53 5.345,54 24.037,55 2,56 22.14,57 27.851,58 4,59 1.88,61 1,62 1.337,63 1,64 2.908,65 28.935,66 29.765,67 22.8,68 5.027,69 1.2,70 25.277,71 5.1}
{0 CHEMBL1976134,7 57.36,8 69.163,13 9.161,14 9.161,16 4,22 15.377,25 5,27 0.1,28 1.377,29 33.449,30 0.074,31 12.251,32 0.839,33 5.283,34 23.542,36 0.068,37 4.503,38 4.503,40 6.341,41 6.341,42 1,43 17.126,44 2.861,45 16.266,46 3.433,48 24.769,49 0.257,50 16.046,51 4.317,52 12.869,53 5.086,54 22.95,56 21.134,57 26.59,58 1,59 1.684,61 1,62 0.892,64 2.53,65 7.04,66 28.413,67 21.048,68 4.691,70 23.345,71 5.1}
{0 CHEMBL1976220,4 16.529,7 108.28,8 62.79,12 1,13 8.081,14 8.081,15 6.045,16 2,19 3,20 -0.296,22 56.14,24 1.637,25 1,27 0.193,28 2.663,29 74.828,30 0.168,31 12.519,32 0.897,33 4.727,34 19.121,36 0.191,37 4.666,38 4.666,40 6.884,41 6.884,42 1,43 17.716,44 3.589,45 18.662,46 3.845,48 25.321,49 0.312,50 16.579,51 4.522,52 13.07,53 5.293,54 23.442,56 21.572,57 27.209,59 1.588,60 1,61 1,62 1.062,64 2.935,65 17.693,66 29.104,67 22.031,68 4.902,69 2.912,70 24.486,71 5.1}
{0 CHEMBL1976328,4 19.736,7 108.28,8 66.089,12 1,13 8.188,14 8.188,15 6.039,16 1,19 3,20 -0.272,22 59.23,24 1.397,25 2,27 0.128,28 2.465,29 73.018,30 0.29,31 12.57,32 0.875,33 4.727,34 7.35,36 0.19,37 4.661,38 4.661,40 6.879,41 6.879,43 17.74,44 3.649,45 18.697,46 3.836,48 25.344,49 0.526,50 16.609,51 4.564,52 13.128,53 5.249,54 23.469,56 21.605,57 27.228,59 1.596,60 1,61 1,62 1.26,64 2.882,65 19.962,66 29.119,67 22.036,68 4.997,69 2.912,70 24.487,71 5.1}
{0 CHEMBL1976420,4 9.966,7 61.8,8 42.269,12 4,13 11.419,14 11.419,16 1,22 18.707,25 2,27 0.179,28 1.679,29 76.254,30 0.148,31 12.448,32 0.915,33 4.844,34 2.757,36 0.099,37 4.67,38 4.67,40 7.112,41 7.112,42 1,43 18.53,44 3.36,45 19.023,46 3.426,48 26.06,49 0.482,50 17.347,51 4.407,52 13.062,53 5.36,54 24.128,56 22.201,57 27.995,59 1.662,61 1,62 1.111,64 2.571,65 16.792,66 29.932,67 22.725,68 4.783,69 1.529,70 25.189,71 5.1}
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{0 CHEMBL1977041,4 20.575,7 123.64,8 71.614,10 1,11 0.247,13 8.883,14 8.883,15 6.098,16 5,19 2,20 -0.862,22 33.766,23 1,25 7,27 0.482,28 2.332,29 127.635,30 0.622,31 12.857,32 0.904,33 4.949,34 11.505,36 0.453,37 4.858,38 4.858,39 1,40 7.273,41 7.273,42 1,43 18.623,44 3.936,45 20.571,46 3.778,48 26.043,49 0.579,50 17.407,51 4.86,52 13.306,53 5.492,54 24.109,55 2,56 22.185,57 27.986,58 2,59 1.771,60 1,61 1,62 1.267,63 2,64 3.27,65 38.154,66 29.935,67 23.105,68 5.075,69 3.349,70 25.676,71 5.1}
{0 CHEMBL1977135,4 7.745,7 41.99,13 8.453,14 8.453,16 3,20 -0.065,22 19.553,25 3,27 0.162,28 1.466,29 41.93,30 0.094,31 11.93,32 1.134,36 0.112,37 4.283,38 4.283,40 6.165,41 6.165,42 1,43 16.367,44 3.295,45 15.281,46 3.685,48 24.268,49 0.218,50 15.353,51 3.97,52 12.508,53 4.947,54 22.478,56 20.693,57 26.06,59 1.578,61 1,62 1.062,64 2.723,65 13.406,66 27.856,67 20.315,68 4.205,69 2.162,70 22.552,71 5.1}
{0 CHEMBL1977148,4 23.252,5 2,6 1,7 155.56,8 181.617,11 0.247,12 7,13 9.667,14 9.667,15 6.295,16 6,18 1,19 3,20 -0.339,22 66.805,23 1,24 1.591,25 6,26 1.697,27 0.355,28 3.334,29 145.174,30 0.473,31 12.907,32 1.077,33 5.352,34 30.892,35 1,36 0.39,37 4.748,38 4.748,39 1,40 7.013,41 7.013,43 18.176,44 4.097,45 19.548,46 3.873,48 25.736,49 0.69,50 17.02,51 4.997,52 13.368,53 5.396,54 23.849,56 21.972,57 27.631,59 1.865,60 1,62 1.467,64 2.902,65 36.354,66 29.534,67 22.51,68 5.165,69 2.912,70 24.993,71 5.1}
{0 CHEMBL1977223,4 16.433,6 1,7 88.49,8 135.343,11 0.149,12 4,13 9.109,14 9.109,16 5,20 -0.026,21 1,22 28.052,23 1,25 10,26 1.814,27 0.314,28 1.865,29 75.011,30 0.341,31 12.492,32 0.976,33 5.352,34 11.771,36 0.173,37 4.575,38 4.575,40 6.573,41 6.573,42 1,43 17.397,44 3.699,45 17.206,46 3.732,48 24.975,49 0.595,50 16.297,51 4.585,52 12.99,53 5.138,54 23.142,55 1,56 21.316,57 26.814,58 1,59 1.711,61 1,62 1.359,64 2.959,65 16.977,66 28.658,67 21.412,68 4.796,69 3.306,70 23.769,71 5.1}
{0 CHEMBL1977346,4 16.723,7 74.43,13 8.798,14 8.798,16 4,20 -0.176,22 16.962,23 2,25 4,27 0.345,28 1.519,29 58.471,30 0.089,31 12.114,32 0.89,33 2.708,34 3.559,35 1,36 0.136,37 4.442,38 4.442,40 6.526,41 6.526,42 1,43 17.124,44 2.578,45 17.04,46 3.673,48 24.776,49 0.052,50 16.019,51 4.234,52 12.565,53 5.124,54 22.936,56 21.102,57 26.62,59 1.211,61 1,62 0.535,63 1,64 2.846,65 9.476,66 28.468,67 21.165,68 4.388,69 2.117,70 23.522,71 5.1}
{0 CHEMBL1977604,4 22.324,5 1,7 113.86,8 100.399,11 0.8,13 10.999,14 10.999,15 5.854,16 8,17 0.765,20 -2.459,22 77.157,23 2,25 3,27 1.147,28 3.327,29 155.791,30 1.355,31 13.036,32 0.934,33 5.352,34 29.92,36 0.478,37 4.778,38 4.778,40 7.278,41 7.278,42 1,43 18.884,44 3.653,45 20.96,46 3.638,48 26.343,49 0.666,50 17.667,51 5.069,52 13.225,53 5.554,54 24.41,56 22.484,57 28.281,58 1,59 1.71,61 1,62 1.153,63 4,64 3.559,65 72.101,66 30.223,67 23.307,68 4.945,69 6.3,70 25.861,71 5.1}
{0 CHEMBL1977619,4 2.278,7 95.73,8 68.034,13 8.116,14 8.116,16 5,20 -1.036,22 40.775,24 1.533,25 4,27 0.226,28 1.301,29 101.277,30 0.248,31 12.201,32 0.234,33 5.209,34 15.886,35 1,36 0.229,37 4.62,38 4.62,40 6.727,41 6.727,42 1,43 17.452,44 2.288,45 18.201,46 3.46,48 25.056,49 0.091,50 16.316,51 4.248,52 12.758,53 5.222,54 23.19,55 1,56 21.328,57 26.928,58 1,59 1.468,61 1,62 0.547,64 2.523,65 29.582,66 28.804,67 21.641,68 4.543,69 2.873,70 24.061,71 4.1}
{0 CHEMBL1977681,4 5.985,7 86.02,8 75.848,12 1,13 9.126,14 9.126,16 2,20 -0.164,22 55.294,24 1.274,25 4,27 0.407,28 1.808,29 56.768,30 0.186,31 12.363,32 0.866,33 5.416,34 19.075,35 1,36 0.208,37 4.671,38 4.671,40 6.817,41 6.817,42 1,43 17.771,44 2.824,45 18.66,46 3.475,48 25.314,49 0.289,50 16.621,51 4.357,52 12.896,53 5.349,54 23.436,56 21.563,57 27.197,59 1.549,61 1,62 0.912,64 2.894,65 16.541,66 29.084,67 21.948,68 4.677,69 2.117,70 24.385,71 5.1}
{0 CHEMBL1977713,4 13.55,7 69.81,8 45.84,11 0.133,12 2,13 7.207,14 7.207,16 1,20 -0.265,22 20.542,23 1,25 1,27 0.33,28 1.441,29 80.957,30 0.233,31 12.044,32 0.754,33 4.595,34 6.42,36 0.209,37 4.515,38 4.515,40 6.52,41 6.52,42 1,43 16.877,44 3.151,45 17.081,46 3.545,48 24.564,49 0.3,50 15.796,51 3.989,52 12.679,53 5.086,54 22.731,56 20.907,57 26.405,58 1,59 1.601,61 1,62 1.062,64 2.961,65 16.716,66 28.251,67 20.982,68 4.543,69 2.921,70 23.342,71 5.1}
{0 CHEMBL1977814,4 16.228,6 1,7 49.05,8 35.026,13 9.59,14 9.59,16 9,20 -0.067,21 1,22 27.439,25 10,26 1.681,27 0.624,28 1.992,29 92.175,30 0.32,31 12.716,32 1.031,33 4.844,36 0.199,37 4.743,38 4.743,39 1,40 7.197,41 7.197,42 1,43 18.549,44 3.82,45 20.652,46 3.532,48 25.958,49 0.47,50 17.333,51 4.745,52 13.001,53 5.457,54 24.029,55 1,56 22.106,57 27.894,59 1.675,61 1,62 1.239,63 4,64 3.008,65 16.94,66 29.834,67 22.925,68 4.783,69 4.631,70 25.474,71 5.1}
{0 CHEMBL1977874,1 1,3 4,4 22.156,7 126,10 3,11 0.98,13 9.66,14 9.66,15 10.942,16 9,17 0.526,19 2,20 -1.63,22 31.887,23 3,25 5,27 0.795,28 1.583,29 158.015,30 0.639,31 12.699,32 0.908,33 5.476,34 8.932,36 0.406,37 4.635,38 4.635,40 7.1,41 7.1,42 1,43 18.446,44 3.294,45 20.259,46 3.547,48 25.929,49 0.339,50 17.253,51 4.644,52 12.946,53 5.421,54 24.02,55 5,56 22.118,57 27.842,58 3,59 1.437,60 2,61 1,62 1.155,63 6,64 3.418,65 37.061,66 29.76,67 22.713,68 4.745,69 3.071,70 25.228,71 5.1}
{0 CHEMBL1978014,4 25.777,5 2,6 2,7 94.86,8 154.634,9 1,11 0.522,12 7,13 9.395,14 9.395,15 6.187,16 9,19 2,20 0.024,22 32.264,25 17,26 3.294,27 0.372,28 2.961,29 107.909,30 0.405,31 12.798,32 0.898,33 5.416,34 16.243,35 1,36 0.228,37 4.698,38 4.698,40 6.875,41 6.875,42 1,43 18.04,44 3.965,45 18.96,46 3.767,48 25.569,49 0.773,50 16.896,51 4.86,52 13.206,53 5.282,54 23.7,55 2,56 21.839,57 27.445,58 3,59 1.743,60 1,61 1,62 1.44,64 2.965,65 20.467,66 29.326,67 22.173,68 4.987,69 3.272,70 24.611,71 5.1}
{0 CHEMBL1978200,4 16.821,7 88.23,8 63.254,12 2,13 9.952,14 9.952,16 4,22 40.709,25 5,27 0.898,28 2.179,29 139.746,30 0.672,31 12.862,32 1.047,33 4.844,34 46.347,35 1,36 0.324,37 4.774,38 4.774,40 7.084,41 7.084,42 1,43 18.55,44 4.103,45 19.882,46 3.767,47 1,48 25.984,49 0.768,50 17.378,51 4.977,52 13.353,53 5.389,54 24.085,55 2,56 22.193,57 27.89,58 2,59 1.866,61 1,62 1.316,63 1,64 3.132,65 32.68,66 29.8,67 22.821,68 5.156,69 0.8,70 25.311,71 5.1}
{0 CHEMBL1978448,4 23.193,6 1,7 83.03,8 43.995,12 4,13 11.296,14 11.296,16 6,20 -0.133,22 23.335,25 5,26 1.833,27 0.396,28 2.692,29 69.458,30 0.351,31 12.688,32 0.747,33 5.82,34 14.528,36 0.389,37 4.775,38 4.775,40 7.258,41 7.258,42 1,43 18.758,44 3.475,45 19.848,46 3.716,48 26.237,49 0.717,50 17.561,51 4.533,52 13.325,53 5.409,54 24.298,55 3,56 22.365,57 28.181,59 1.596,61 1,62 1.237,64 3.082,65 48.913,66 30.13,67 22.978,68 5.139,69 2.117,70 25.481,71 8}
{0 CHEMBL1978645,4 26.75,6 1,7 63.49,8 88.372,11 0.4,12 9,13 10.297,14 10.297,16 6,18 1,20 -0.971,22 46.261,23 1,25 5,26 1.919,27 0.426,28 4.055,29 78.828,30 0.794,31 13.175,32 1.003,33 4.949,34 4.901,36 0.234,37 4.856,38 4.856,39 1,40 7.249,41 7.249,43 18.795,44 4.656,45 20.693,46 3.844,48 26.282,49 1.014,50 17.597,51 5.263,52 13.613,53 5.49,54 24.363,56 22.452,57 28.209,59 1.946,62 1.574,63 1,64 3.165,65 40.791,66 30.141,67 23.25,68 5.373,69 2.873,70 25.791,71 5.6}
{0 CHEMBL1978656,4 8.785,7 79.52,8 52.55,12 1,13 9.593,14 9.593,16 7,20 -0.327,22 21.49,23 3,25 4,27 0.54,28 1.82,29 101.277,30 0.209,31 12.603,32 0.782,33 4.727,34 2.757,36 0.146,37 4.68,38 4.68,40 6.869,41 6.869,42 1,43 17.96,44 3.578,45 18.982,46 3.766,48 25.61,49 0.6,50 16.819,51 4.595,52 13.146,53 5.279,54 23.73,55 1,56 21.854,57 27.495,59 1.676,61 1,62 1.135,63 3,64 3.071,65 15.58,66 29.383,67 22.215,68 4.902,69 2.117,70 24.655,71 5.1}
{0 CHEMBL1979057,4 17.232,7 69.81,8 109.817,11 0.4,12 2,13 9.498,14 9.498,16 2,20 0.005,22 28.497,25 4,27 0.159,28 2.233,29 41.93,30 0.118,31 12.649,32 1.046,33 5.416,34 2.144,36 0.153,37 4.543,38 4.543,40 6.792,41 6.792,42 1,43 17.82,44 3.509,45 18.516,46 3.757,47 1,48 25.411,49 0.494,50 16.696,51 4.673,52 13.127,53 5.257,54 23.547,56 21.69,57 27.281,59 1.669,61 1,62 1.16,64 3.011,65 14.079,66 29.155,67 21.987,68 4.902,69 2.162,70 24.398,71 5.1}
{0 CHEMBL1979093,4 21.901,7 102.41,8 70.942,9 1,11 0.247,12 1,13 8.724,14 8.724,15 5.978,16 3,18 1,19 2,20 -0.427,22 43.448,25 5,27 0.589,28 2.078,29 113.333,30 0.64,31 12.698,32 0.841,33 4.727,34 26.4,35 1,36 0.36,37 4.719,38 4.719,39 1,40 6.969,41 6.969,42 1,43 18.012,44 3.663,45 19.209,46 3.796,48 25.601,49 0.578,50 16.863,51 4.71,52 13.24,53 5.311,54 23.719,56 21.846,57 27.491,59 1.645,60 1,61 1,62 1.386,63 1,64 3.152,65 29.381,66 29.389,67 22.325,68 5.085,69 2.912,70 24.798,71 5.1}
{0 CHEMBL1979176,4 20.491,7 76.14,11 0.86,12 1,13 10.296,14 10.296,16 7,17 0.247,18 1,20 -0.722,22 22.507,23 2,25 3,27 0.901,28 1.496,29 114.596,30 0.906,31 12.398,32 0.797,34 6.604,36 0.999,37 4.524,38 4.524,39 1,40 7.116,41 7.116,42 1,43 18.292,44 3.325,45 18.67,46 3.512,48 25.857,49 0.31,50 17.123,51 4.382,52 13.063,53 5.234,54 23.935,56 22.021,57 27.784,58 1,59 1.572,61 1,62 1.142,63 2,64 3.092,65 141.071,66 29.716,67 22.414,68 4.879,69 5.335,70 24.861,71 5.1}
{0 CHEMBL197923,4 7.745,7 86.02,8 116.143,12 3,13 8.721,14 8.721,16 2,20 -0.044,22 53.999,24 1.413,25 4,27 0.165,28 2.449,29 41.808,30 0.155,31 12.439,32 1.043,33 5.416,34 4.115,35 1,36 0.109,37 4.653,38 4.653,40 6.746,41 6.746,42 1,43 17.624,44 3.537,45 18.236,46 3.822,48 25.153,49 0.607,50 16.489,51 4.477,52 12.948,53 5.323,54 23.29,56 21.434,57 27.022,59 1.63,61 1,62 1.062,64 2.719,65 12.998,66 28.896,67 21.742,68 4.677,69 2.117,70 24.158,71 4.77}
{0 CHEMBL1979252,4 20.099,7 71.09,11 0.4,12 2,13 11.621,14 11.621,16 2,20 -1.241,22 27.014,23 3,27 0.929,28 1.434,29 111.956,30 0.708,31 12.451,32 1.003,36 0.862,37 4.651,38 4.651,40 7.116,41 7.116,42 1,43 18.653,44 3.35,45 19.69,46 3.741,48 26.104,49 0.26,50 17.464,51 4.205,52 13.109,53 5.341,54 24.165,56 22.232,57 28.046,59 1.523,61 1,62 1.062,64 2.855,65 147.643,66 29.991,67 22.783,68 4.732,69 5.335,70 25.274,71 5.1}
{0 CHEMBL1979318,4 14.138,7 87.72,8 38.183,10 2,11 1.041,13 9.127,14 9.127,15 5.87,16 4,18 1,19 2,20 0.544,22 23.602,23 2,25 4,27 0.278,28 2.161,29 91.619,30 0.262,31 12.538,32 0.369,33 4.727,34 7.571,36 0.157,37 4.656,38 4.656,39 1,40 7.125,41 7.125,42 1,43 18.248,44 3.202,45 19.961,46 3.707,48 25.79,49 0.179,50 17.056,51 4.511,52 12.947,53 5.432,54 23.867,55 1,56 21.952,57 27.718,58 1,59 1.403,60 1,61 1,62 1.005,63 1,64 3.08,65 15.856,66 29.651,67 22.729,68 4.59,69 4.525,70 25.26,71 5.1}
{0 CHEMBL1979357,3 1,4 11.192,6 1,7 56.73,8 58.001,9 2,12 2,13 9.333,14 9.333,15 6.19,16 7,19 2,22 19.565,25 7,26 2.161,27 0.151,28 2.389,29 66.468,30 0.195,31 12.554,32 0.702,33 4.844,34 13.915,35 2,36 0.13,37 4.668,38 4.668,40 6.895,41 6.895,42 1,43 17.889,44 3.979,45 19.085,46 3.763,48 25.448,49 0.741,50 16.736,51 4.564,52 13.031,53 5.287,54 23.563,56 21.685,57 27.339,58 1,59 1.787,60 2,61 1,62 1.273,64 2.575,65 18.15,66 29.235,67 22.161,68 4.745,69 1.36,70 24.619,71 5.1}
{0 CHEMBL1979516,3 1,4 22.451,7 137.38,8 75.057,11 0.247,12 1,13 9.361,14 9.361,15 6.133,16 3,19 3,20 -0.674,22 72.202,23 1,24 1.43,25 1,27 0.525,28 2.88,29 114.933,30 0.402,31 12.748,32 0.985,33 4.727,34 34.081,36 0.326,37 4.742,38 4.742,40 7.007,41 7.007,42 1,43 18.095,44 3.935,45 19.464,46 3.806,48 25.67,49 0.648,50 16.935,51 4.796,52 13.253,53 5.384,54 23.778,56 21.896,57 27.57,59 1.78,60 1,61 1,62 1.286,63 1,64 3.211,65 28.825,66 29.476,67 22.445,68 5.075,69 2.912,70 24.93,71 5.5}
{0 CHEMBL1979554,4 17.502,7 86.88,8 64.517,12 1,13 9.256,14 9.256,16 1,20 -0.625,22 35.547,23 2,25 2,27 0.615,28 1.887,29 145.25,30 0.448,31 12.597,32 0.85,33 4.595,34 2.144,35 1,36 0.233,37 4.653,38 4.653,40 6.951,41 6.951,42 1,43 18.155,44 3.548,45 19.622,46 3.891,48 25.583,49 0.407,50 16.998,51 4.466,52 13.208,53 5.354,54 23.696,56 21.818,57 27.477,59 1.639,61 1,62 1.017,64 2.972,65 20.981,66 29.376,67 22.231,68 4.966,69 1.315,70 24.707,71 5.1}
{0 CHEMBL1979577,3 3,4 23.654,7 134.3,8 78.382,11 0.247,12 1,13 9.965,14 9.965,15 12.229,16 2,19 4,20 -0.297,22 59.456,24 1.574,25 2,27 0.203,28 2.936,29 107.725,30 0.331,31 12.747,32 1.118,33 4.727,34 53.182,36 0.225,37 4.736,38 4.736,40 6.973,41 6.973,43 18.287,44 4.125,45 19.207,46 3.806,48 25.753,49 0.645,50 17.138,51 4.787,52 13.407,53 5.361,54 23.871,56 21.997,57 27.642,59 1.842,60 2,62 1.371,64 3.348,65 29.516,66 29.537,67 22.489,68 5.147,69 2.912,70 24.943,71 5.1}
{0 CHEMBL1979718,2 1,4 17.353,6 1,7 75.6,8 132.397,12 4,13 8.778,14 8.778,16 6,20 -0.223,22 25.74,25 7,26 2.289,27 0.288,28 2.179,29 58.593,30 0.183,31 12.609,32 0.899,33 5.416,34 6.8,35 1,36 0.226,37 4.751,38 4.751,40 6.981,41 6.981,42 1,43 18.12,44 3.848,45 19.031,46 3.8,48 25.55,49 0.58,50 16.945,51 4.605,52 13.124,53 5.356,54 23.659,55 1,56 21.777,57 27.449,58 1,59 1.7,61 1,62 1.338,63 2,64 2.746,65 19.381,66 29.355,67 22.273,68 4.902,69 2.117,70 24.754,71 5.1}
{0 CHEMBL1979855,4 26.894,6 1,7 111.84,8 101.403,11 1.049,12 7,13 10.249,14 10.249,16 6,17 0.247,20 -0.773,21 1,22 30.016,23 1,25 10,26 1.602,27 0.471,28 2.49,29 98.012,30 0.371,31 12.807,32 0.844,33 4.727,34 4.276,35 2,36 0.268,37 4.587,38 4.587,40 7.139,41 7.139,43 18.577,44 4.241,45 19.067,46 3.777,48 26.123,49 0.706,50 17.407,51 4.852,52 13.402,53 5.417,54 24.212,56 22.307,57 28.039,58 1,59 1.791,62 1.421,63 1,64 3.554,65 33.245,66 29.96,67 22.69,68 5.139,69 4.874,70 25.134,71 5.1}
{0 CHEMBL1979883,4 24.272,7 111.52,8 78.739,11 0.249,12 3,13 8.757,14 8.757,15 6.238,16 3,17 0.247,19 3,20 -0.288,22 61.562,24 1.61,25 3,27 0.203,28 2.913,29 74.828,30 0.207,31 12.704,32 0.933,33 4.727,34 53.182,36 0.293,37 4.732,38 4.732,40 6.972,41 6.972,43 17.972,44 4.076,45 19.202,46 3.805,48 25.538,49 0.649,50 16.818,51 4.771,52 13.28,53 5.358,54 23.651,56 21.775,57 27.434,58 1,59 1.834,60 1,62 1.389,64 2.932,65 26.084,66 29.338,67 22.31,68 5.037,69 2.912,70 24.79,71 5.1}
{0 CHEMBL1979970,4 10.255,7 83.56,8 50.422,12 2,13 10.046,14 10.046,16 5,20 -0.173,21 1,22 40.574,23 3,25 6,27 0.684,28 1.303,29 105.054,30 0.515,31 12.4,32 0.845,33 4.727,34 29.92,35 1,36 0.335,37 4.59,38 4.59,40 6.645,41 6.645,42 1,43 17.621,44 3.288,45 17.759,46 3.563,48 25.268,49 0.33,50 16.5,51 4.419,52 12.957,53 5.174,54 23.406,55 1,56 21.549,57 27.135,58 1,59 1.706,61 1,62 1.074,64 3.078,65 37.108,66 29.004,67 21.742,68 4.796,69 3.306,70 24.133,71 5.1}
{0 CHEMBL1980142,4 20.633,7 66.91,11 1.656,12 2,13 11.69,14 11.69,16 5,17 0.247,20 -0.975,22 20.02,23 2,25 3,27 1.426,28 1.598,29 148.477,30 1.275,31 12.609,32 0.684,34 6.604,36 1.487,37 4.696,38 4.696,40 7.295,41 7.295,42 1,43 18.999,44 3.248,45 20.345,46 3.562,48 26.522,49 0.287,50 17.796,51 4.477,52 13.302,53 5.382,54 24.567,56 22.617,57 28.481,58 1,59 1.546,61 1,62 1.055,63 1,64 3.569,65 256.084,66 30.442,67 23.245,68 5.047,69 5.335,70 25.754,71 5.1}
{0 CHEMBL1980144,3 2,4 22.999,7 150.27,8 74.696,9 1,10 1,11 0.247,12 1,13 8.709,14 8.709,15 5.893,16 4,19 1,20 -0.651,22 60.117,23 1,24 1.331,25 3,27 0.391,28 2.348,29 116.758,30 0.298,31 12.571,32 1.149,33 4.727,34 18.375,35 3,36 0.315,37 4.659,38 4.659,40 6.87,41 6.87,42 1,43 17.761,44 3.804,45 18.549,46 3.829,48 25.401,49 0.604,50 16.633,51 4.489,52 13.154,53 5.293,54 23.53,55 1,56 21.668,57 27.28,59 1.656,60 1,61 1,62 1.289,64 3.033,65 26.539,66 29.165,67 22.025,68 4.987,69 2.912,70 24.465,71 5.2}
{0 CHEMBL1980161,4 4.764,7 54.7,8 17.013,13 6.764,14 6.764,15 5.568,16 1,19 1,21 1,22 10.546,25 3,27 0.186,28 0.713,29 88.709,30 0.013,31 11.628,33 4.727,36 0.088,37 4.588,38 4.588,40 6.65,41 6.65,43 17.089,44 0.255,45 17.57,46 3.164,48 24.716,50 15.958,51 3.258,52 12.384,53 5.083,54 22.84,56 20.969,57 26.595,59 0.92,60 1,61 1,64 1.585,65 6.973,66 28.478,67 21.23,68 4.227,70 23.629,71 4.1}
{0 CHEMBL1980163,4 17.031,7 47.04,12 3,13 7.525,14 7.525,16 6,18 1,22 22.823,23 1,25 7,27 0.22,28 1.781,29 44.571,30 0.131,31 12.226,32 1.047,34 2.328,35 1,36 0.126,37 4.5,38 4.5,39 1,40 6.515,41 6.515,43 16.88,44 3.64,45 17.075,46 3.782,48 24.621,49 0.471,50 15.815,51 4.304,52 12.784,53 5.091,54 22.796,55 1,56 20.98,57 26.454,59 1.561,61 1,62 1.062,64 2.676,65 16.097,66 28.293,67 21.015,68 4.559,69 2.302,70 23.366,71 5.1}
{0 CHEMBL198022,1 1,4 5.25,7 100.01,8 44.055,9 1,13 7.763,14 7.763,15 5.12,16 2,19 1,20 -0.391,22 42.987,24 1.309,25 4,27 0.178,28 1.191,29 74.705,30 0.172,31 11.801,33 5.416,34 4.115,35 1,36 0.14,37 4.595,38 4.595,40 6.555,41 6.555,43 17.181,44 1.356,45 16.997,46 3.167,48 24.656,50 16.052,51 3.584,52 12.507,53 5.223,54 22.805,56 20.959,57 26.511,59 1.207,60 2,61 1,64 2.123,65 21.235,66 28.369,67 21.085,68 4.388,69 1.96,70 23.45,71 4.699}
{0 CHEMBL1980391,4 22.242,7 66.59,8 42.907,11 0.4,12 1,13 9.883,14 9.883,16 4,18 1,20 0.568,21 1,22 37.591,23 1,25 4,27 0.479,28 2.079,29 98.557,30 0.644,31 12.724,32 0.997,33 4.844,34 14.96,36 0.267,37 4.619,38 4.619,39 1,40 6.833,41 6.833,42 1,43 18.022,44 3.794,45 18.747,46 3.779,48 25.627,49 0.529,50 16.879,51 4.875,52 13.135,53 5.291,54 23.755,56 21.887,57 27.504,58 1,59 1.708,61 1,62 1.126,64 3.122,65 19.346,66 29.385,67 22.218,68 4.902,69 1.72,70 24.646,71 5.2}
{0 CHEMBL1980489,4 17.245,7 71.09,12 2,13 7.176,14 7.176,16 2,20 -0.442,22 27.329,23 3,27 0.397,28 1.443,29 106.224,30 0.368,31 12.254,32 0.788,36 0.151,37 4.651,38 4.651,40 6.95,41 6.95,42 1,43 17.94,44 3.3,45 19.621,46 3.743,48 25.307,49 0.218,50 16.766,51 4.06,52 12.839,53 5.34,54 23.4,56 21.502,57 27.222,59 1.428,61 1,62 1.062,64 2.847,65 15.713,66 29.142,67 22.063,68 4.494,69 1.315,70 24.57,71 5.1}
{0 CHEMBL1980540,4 17.779,7 66.91,11 0.247,12 3,13 10.72,14 10.72,16 4,20 -0.737,22 20.335,23 2,25 4,27 0.795,28 1.553,29 142.745,30 0.866,31 12.391,32 0.839,34 6.604,36 0.893,37 4.575,38 4.575,40 7.116,41 7.116,42 1,43 18.356,44 3.191,45 18.813,46 3.617,48 25.937,49 0.196,50 17.185,51 4.29,52 13.081,53 5.229,54 24.013,56 22.094,57 27.866,58 1,59 1.526,61 1,62 0.94,63 1,64 3.25,65 134.752,66 29.799,67 22.514,68 4.879,69 5.335,70 24.966,71 5.1}
{0 CHEMBL1980704,4 7.704,7 72.79,8 84.162,12 7,13 9.473,14 9.473,16 9,22 47.902,25 9,27 0.163,28 2.891,29 50.112,30 0.121,31 12.727,32 1.195,33 5.416,34 25.686,36 0.143,37 4.773,38 4.773,40 6.971,41 6.971,42 1,43 18.131,44 3.44,45 19.394,46 3.784,47 1,48 25.646,49 0.587,50 16.971,51 4.771,52 13.278,53 5.403,54 23.755,55 3,56 21.871,57 27.544,58 3,59 1.66,61 1,62 1.178,64 3.05,65 10.801,66 29.446,67 22.416,68 5.094,69 6.545,70 24.888,71 5.1}
{0 CHEMBL1980715,3 2,4 18.012,5 1,7 135.53,9 2,11 0.86,12 2,13 6.996,14 6.996,15 16.329,16 3,17 0.135,18 1,19 4,20 -0.191,22 44.493,23 1,25 4,27 0.293,28 1.863,29 158.149,30 0.442,31 11.77,32 0.925,34 3.798,35 3,36 0.305,37 4.312,38 4.312,39 1,40 6.198,41 6.198,43 16.204,44 3.945,45 15.634,46 3.517,48 23.904,49 0.927,50 15.166,51 3.892,52 12.263,53 4.942,54 22.116,56 20.336,57 25.698,59 1.745,62 1.537,64 2.704,65 40.819,66 27.498,67 20.103,68 4.182,69 2.129,70 22.388,71 5.1}
{0 CHEMBL1980802,4 24.489,7 149.62,11 0.86,12 2,13 9.179,14 9.179,16 1,17 0.86,18 2,20 -0.662,22 34.861,23 4,25 2,27 1.26,28 1.528,29 236.29,30 1.188,31 12.315,32 0.841,34 11.418,35 3,36 0.648,37 4.323,38 4.323,39 2,40 6.199,41 6.199,42 1,43 16.952,44 3.94,45 15.665,46 3.594,48 24.72,49 0.303,50 15.911,51 4.431,52 12.823,53 4.999,54 22.929,55 1,56 21.142,57 26.515,58 1,59 1.581,61 1,62 1.081,63 3,64 3.169,65 61.921,66 28.313,67 20.824,68 4.663,69 4.069,70 23.096,71 5.1}
{0 CHEMBL1980896,4 16.823,7 109.14,8 64.984,10 1,12 2,13 8.254,14 8.254,15 6.056,16 4,19 2,20 -0.102,21 1,22 60.777,23 1,24 1.51,25 3,27 0.288,28 3.386,29 130.762,30 0.249,31 12.634,32 0.802,33 4.844,34 2.328,36 0.203,37 4.738,38 4.738,40 7.034,41 7.034,42 1,43 18.061,44 3.575,45 19.244,46 4.004,48 25.578,49 0.555,50 16.892,51 4.605,52 13.158,53 5.386,54 23.676,55 1,56 21.785,57 27.49,59 1.608,60 1,62 1.062,64 2.977,65 18.979,66 29.408,67 22.443,68 4.997,69 3.497,70 24.944,71 5.1}
{0 CHEMBL1980995,4 28.268,6 2,7 69.45,8 83.28,11 0.86,12 1,13 13.599,14 13.599,16 11,17 0.473,20 0.004,22 34.584,23 3,25 12,26 4.7,27 0.443,28 5.703,29 47.145,30 0.67,31 13.834,32 1.048,33 6.009,34 20.348,35 2,36 0.37,37 5.131,38 5.131,39 2,40 8.018,41 8.018,43 20.262,44 4.709,45 24.331,46 3.781,48 27.61,49 0.845,50 18.965,51 6.045,52 13.961,53 5.862,54 25.587,55 2,56 23.573,57 29.639,58 1,59 1.937,62 1.55,64 3.378,65 30.97,66 31.674,67 25.023,68 5.602,69 2.315,70 27.73,71 5.9}
{0 CHEMBL1981045,4 41.719,7 129.27,11 0.86,12 5,13 9.504,14 9.504,16 8,17 0.86,18 3,20 -0.194,22 69.32,23 2,25 10,27 0.732,28 3.796,29 154.511,30 0.885,31 13.001,32 1.057,33 2.708,36 0.505,37 4.483,38 4.483,39 4,40 6.544,41 6.544,43 17.806,44 4.435,45 17.208,46 3.87,48 25.502,49 1.004,50 16.723,51 5.209,52 13.349,53 5.226,54 23.681,56 21.866,57 27.327,59 1.904,62 1.627,64 3.134,65 47.824,66 29.156,67 21.806,68 5.156,69 2.117,70 24.132,71 5.1}
{0 CHEMBL1981047,4 32.814,7 93.8,8 180.491,11 1.058,12 6,13 10.1,14 10.1,16 6,17 0.8,20 -0.354,22 39.442,23 1,25 8,27 0.572,28 3.123,29 77.953,30 0.45,31 12.844,32 1.166,33 5.416,34 5.085,35 2,36 0.423,37 4.481,38 4.481,39 1,40 6.687,41 6.687,43 17.966,44 4.167,45 18.063,46 3.846,48 25.607,49 0.924,50 16.851,51 4.883,52 13.134,53 5.235,54 23.757,55 1,56 21.911,57 27.462,58 3,59 1.804,62 1.526,63 2,64 3.297,65 29.396,66 29.321,67 22.042,68 4.868,69 3.862,70 24.42,71 5.1}
{0 CHEMBL1981079,1 1,3 2,4 9.215,7 110.68,8 61.679,12 3,13 9.095,14 9.095,15 10.938,16 3,19 2,20 -0.695,22 33.867,23 1,25 2,27 0.59,28 1.556,29 178.619,30 0.553,31 12.455,32 1.048,33 4.727,34 22.373,35 1,36 0.284,37 4.586,38 4.586,40 6.794,41 6.794,42 1,43 17.723,44 3.398,45 18.456,46 3.691,48 25.311,49 0.156,50 16.586,51 4.489,52 12.959,53 5.273,54 23.443,55 1,56 21.582,57 27.184,58 1,59 1.575,60 1,61 1,62 1.068,64 2.925,65 36.393,66 29.062,67 21.89,68 4.796,69 1.96,70 24.318,71 5.1}
{0 CHEMBL1981107,4 8.609,6 1,7 34.89,8 17.013,13 6.764,14 6.764,16 5,20 0.249,22 18.679,25 3,26 1.798,27 0.222,28 0.983,29 41.808,30 0.023,31 11.628,33 4.727,34 2.757,36 0.069,37 4.474,38 4.474,40 6.65,41 6.65,43 17.089,44 0.626,45 17.57,46 3.013,48 24.716,50 15.958,51 3.258,52 12.184,53 5.11,54 22.84,56 20.969,57 26.595,59 1.22,62 0.419,63 2,64 1.776,65 7.385,66 28.478,67 21.23,68 3.98,69 2.555,70 23.629,71 5}
{0 CHEMBL1981410,4 32.729,7 103.33,11 0.986,13 10.325,14 10.325,16 2,17 0.4,20 0.176,22 30.97,23 2,25 2,27 0.878,28 2.209,29 120.382,30 1.027,31 12.64,32 0.751,33 2.708,34 8.932,36 1.001,37 4.453,38 4.453,40 7.116,41 7.116,42 1,43 18.358,44 3.868,45 18.668,46 3.8,48 25.956,49 0.613,50 17.199,51 4.71,52 13.209,53 5.254,54 24.046,55 1,56 22.144,57 27.873,59 1.766,62 1.406,64 3.328,65 144.189,66 29.795,67 22.483,68 4.966,69 5.335,70 24.919,71 5.1}
{0 CHEMBL1981720,4 11.723,7 79.8,12 3,13 7.452,14 7.452,16 3,20 -0.373,22 14.078,23 2,25 2,27 0.245,28 1.181,29 75.502,30 0.19,31 11.982,32 1.001,34 6.604,35 1,36 0.221,37 4.499,38 4.499,40 6.513,41 6.513,42 1,43 16.795,44 3.006,45 17.066,46 3.445,48 24.535,49 0.234,50 15.716,51 3.97,52 12.588,53 5.091,54 22.697,56 20.866,57 26.379,58 1,59 1.501,61 1,62 0.872,63 1,64 2.535,65 15.737,66 28.229,67 20.968,68 4.388,69 2.912,70 23.33,71 5.1}
{0 CHEMBL1981725,4 30.651,7 90.69,8 103.808,11 0.8,12 9,13 9.155,14 9.155,16 10,17 0.4,20 -0.417,22 50.88,25 10,27 0.418,28 4.007,29 90.462,30 0.42,31 13.162,32 1.042,33 4.844,34 31.387,35 2,36 0.308,37 4.73,38 4.73,40 7.02,41 7.02,43 18.331,44 4.567,45 19.435,46 3.891,47 1,48 25.907,49 1.038,50 17.188,51 5.293,52 13.543,53 5.35,54 24.036,55 2,56 22.173,57 27.787,58 2,59 1.963,62 1.628,63 1,64 3.148,65 28.668,66 29.675,67 22.625,68 5.301,69 2.117,70 25.096,71 5.1}
{0 CHEMBL1981782,4 14.116,7 69.81,8 55.925,11 0.133,12 1,13 8.325,14 8.325,16 1,20 -0.297,22 24.042,25 2,27 0.41,28 1.528,29 120.105,30 0.42,31 12.085,32 0.86,33 4.595,34 6.42,35 1,36 0.25,37 4.427,38 4.427,40 6.195,41 6.195,42 1,43 16.707,44 3.169,45 15.549,46 3.571,48 24.365,49 0.335,50 15.667,51 4.043,52 12.753,53 4.979,54 22.585,56 20.811,57 26.149,59 1.618,61 1,62 1.01,64 2.94,65 17.327,66 27.937,67 20.412,68 4.677,69 2.921,70 22.67,71 5.1}
{0 CHEMBL1981947,4 23.281,7 97.48,8 219.725,11 0.86,12 11,13 9.571,14 9.571,16 9,17 0.4,18 1,20 -0.767,22 33.418,25 14,27 1.501,28 2.462,29 169.825,30 1.63,31 12.769,32 0.96,33 5.283,35 1,36 1.073,37 4.58,38 4.58,39 1,40 7.256,41 7.256,43 18.565,44 3.859,45 19.816,46 3.778,48 26.102,49 1.031,50 17.386,51 4.796,52 13.228,53 5.32,54 24.18,55 2,56 22.268,57 28.033,58 2,59 1.789,62 1.418,64 3.077,65 179.621,66 29.971,67 22.749,68 5.007,69 5.409,70 25.239,71 5.2}
{0 CHEMBL1982122,4 11.753,7 86.28,8 56.975,13 9.141,14 9.141,16 4,22 46.76,24 1.635,25 3,27 0.207,28 2.738,29 76.254,30 0.181,31 12.417,32 0.997,33 4.727,34 0.746,36 0.138,37 4.514,38 4.514,40 6.342,41 6.342,42 1,43 17.204,44 3.788,45 16.299,46 3.819,48 24.845,49 0.538,50 16.129,51 4.511,52 12.869,53 5.141,54 23.03,56 21.219,57 26.663,59 1.758,61 1,62 1.062,64 2.73,65 18.473,66 28.483,67 21.145,68 4.62,69 1.315,70 23.445,71 5.1}
{0 CHEMBL1982135,4 21.187,7 121.17,8 43.912,10 1,12 1,13 9.349,14 9.349,15 6.153,16 3,19 2,20 -0.255,22 65.455,23 1,24 1.684,25 2,27 0.186,28 3.724,29 91.613,30 0.267,31 12.874,32 0.809,33 4.844,34 7.962,36 0.237,37 4.774,38 4.774,40 7.107,41 7.107,42 1,43 18.364,44 3.746,45 19.834,46 3.823,48 25.846,49 0.604,50 17.183,51 4.956,52 13.284,53 5.461,54 23.941,55 1,56 22.044,57 27.76,59 1.696,60 1,61 1,62 1.284,64 2.927,65 23.032,66 29.68,67 22.744,68 5.085,69 2.912,70 25.26,71 5.1}
{0 CHEMBL1982167,4 14.378,7 77.75,8 57.78,11 0.86,12 3,13 9.508,14 9.508,16 10,18 2,20 -0.334,22 28.791,23 4,25 7,27 0.537,28 1.928,29 80.593,30 0.59,31 12.65,32 1.146,33 4.727,34 2.757,36 0.317,37 4.679,38 4.679,39 2,40 6.869,41 6.869,42 1,43 17.926,44 3.7,45 18.98,46 3.766,48 25.559,49 0.585,50 16.787,51 4.7,52 13.147,53 5.279,54 23.682,55 1,56 21.812,57 27.44,58 1,59 1.681,61 1,62 1.313,63 3,64 3.066,65 24.437,66 29.327,67 22.195,68 4.902,69 2.117,70 24.633,71 5.1}
{0 CHEMBL1982361,4 15.921,7 71.09,12 2,13 8.549,14 8.549,16 2,20 -0.835,22 32.949,23 3,27 0.572,28 1.255,29 82.035,30 0.542,31 12.28,32 0.852,34 14.96,36 0.193,37 4.651,38 4.651,40 6.95,41 6.95,42 1,43 17.988,44 3.251,45 19.621,46 3.739,48 25.4,49 0.218,50 16.818,51 4.06,52 12.871,53 5.341,54 23.497,56 21.603,57 27.309,59 1.445,61 1,62 1.062,64 2.846,65 23.86,66 29.222,67 22.11,68 4.494,69 1.315,70 24.606,71 5.1}
{0 CHEMBL1982383,3 3,4 13.999,7 114.25,8 66.32,9 2,10 1,12 2,13 10.767,14 10.767,15 5.77,16 4,22 33.694,23 1,25 6,27 0.78,28 2.361,29 157.683,30 0.328,31 12.859,32 1.118,33 4.844,34 31.387,35 3,36 0.291,37 4.767,38 4.767,40 7.065,41 7.065,42 1,43 18.579,44 4.265,45 19.756,46 3.778,47 1,48 26.034,49 0.732,50 17.403,51 4.984,52 13.319,53 5.377,54 24.129,55 2,56 22.23,57 27.944,58 2,59 1.867,61 1,62 1.348,63 1,64 2.928,65 38.766,66 29.859,67 22.881,68 5.075,69 0.8,70 25.364,71 5.1}
{0 CHEMBL1982465,4 28.21,7 120.75,8 86.012,11 0.86,12 5,13 8.757,14 8.757,15 6.293,16 3,17 0.249,19 3,20 -0.289,22 74.958,24 1.617,25 3,27 0.177,28 3.399,29 85.828,30 0.198,31 12.78,32 1.006,33 4.727,34 53.182,36 0.334,37 4.732,38 4.732,39 1,40 6.972,41 6.972,43 17.985,44 4.149,45 19.202,46 3.806,48 25.558,49 0.825,50 16.836,51 4.836,52 13.304,53 5.359,54 23.675,56 21.803,57 27.45,58 1,59 1.912,60 1,62 1.403,64 3.03,65 31.341,66 29.351,67 22.316,68 5.037,69 2.912,70 24.794,71 5.1}
{0 CHEMBL1982476,4 20.844,7 137.38,8 72.208,11 0.247,12 1,13 9.345,14 9.345,15 6.118,16 3,19 3,20 -0.587,22 64.476,23 1,24 1.439,25 1,27 0.476,28 2.925,29 139.121,30 0.318,31 12.733,32 0.927,33 4.727,34 19.121,36 0.315,37 4.742,38 4.742,40 7.006,41 7.006,42 1,43 18.092,44 3.837,45 19.456,46 3.826,48 25.668,49 0.629,50 16.932,51 4.771,52 13.25,53 5.382,54 23.776,56 21.894,57 27.568,59 1.7,60 1,61 1,62 1.256,63 1,64 3.21,65 26.082,66 29.474,67 22.442,68 5.075,69 2.912,70 24.928,71 5.1}
{0 CHEMBL1982506,4 12.785,7 81.28,8 31.43,11 0.86,13 9.397,14 9.397,16 5,17 0.8,18 2,20 -0.915,22 30.984,25 8,27 0.438,28 1.45,29 89.075,30 0.503,31 12.515,32 0.91,33 4.844,36 0.435,37 4.717,38 4.717,39 2,40 6.987,41 6.987,42 1,43 18.113,44 2.746,45 19.309,46 3.248,48 25.594,49 0.32,50 16.936,51 4.522,52 12.968,53 5.356,54 23.694,56 21.801,57 27.5,58 2,59 1.525,61 1,62 0.871,63 2,64 3.214,65 32.393,66 29.41,67 22.385,68 4.783,69 2.4,70 24.868,71 5.1}
{0 CHEMBL1982541,3 1,4 24.827,7 119.49,9 1,10 3,11 0.86,12 3,13 9.176,14 9.176,15 5.878,16 10,17 0.86,18 3,20 -0.454,22 33.996,23 4,25 5,27 0.594,28 1.482,29 138.887,30 0.789,31 12.316,32 0.805,34 4.815,35 3,36 0.418,37 4.476,38 4.476,39 3,40 6.511,41 6.511,42 1,43 17.306,44 3.749,45 17.103,46 3.463,48 25.016,49 0.583,50 16.218,51 4.331,52 12.909,53 5.109,54 23.189,55 1,56 21.367,57 26.847,58 1,59 1.637,61 1,62 1.275,63 2,64 3.18,65 36.541,66 28.682,67 21.305,68 4.732,69 4.069,70 23.642,71 5.1}
{0 CHEMBL1982563,4 15.194,7 77.23,8 64.443,12 2,13 10.869,14 10.869,16 5,22 33.646,23 1,25 8,27 0.736,28 2.235,29 93.102,30 0.284,31 12.826,32 1.049,33 4.844,34 31.387,35 1,36 0.33,37 4.763,38 4.763,39 1,40 7.059,41 7.059,42 1,43 18.571,44 4.181,45 19.689,46 3.777,47 1,48 26.019,49 0.623,50 17.395,51 4.92,52 13.308,53 5.372,54 24.113,55 2,56 22.214,57 27.93,58 4,59 1.866,61 1,62 1.365,63 1,64 2.919,65 32.971,66 29.845,67 22.869,68 5.075,69 1.72,70 25.352,71 5.1}
{0 CHEMBL1982610,4 10.269,6 1,7 50.16,8 31.082,13 8.857,14 8.857,16 1,20 0.687,22 17.706,23 1,25 5,26 1.498,27 0.292,28 1.704,29 81.079,30 0.156,31 12.26,32 0.949,33 4.727,34 27.818,36 0.212,37 4.563,38 4.563,40 6.708,41 6.708,42 1,43 17.549,44 3.121,45 17.972,46 3.877,47 1,48 25.075,49 0.124,50 16.411,51 4.263,52 12.745,53 5.199,54 23.212,55 2,56 21.356,57 26.942,59 1.165,61 1,62 0.797,63 1,64 2.941,65 6.7,66 28.814,67 21.605,68 4.527,69 2.86,70 24.014,71 5.1}
{0 CHEMBL1982660,4 20.491,7 76.14,11 0.86,12 1,13 10.296,14 10.296,16 7,17 0.247,18 1,20 -0.722,22 22.078,23 2,25 3,27 0.775,28 1.502,29 114.596,30 0.906,31 12.398,32 0.797,34 6.604,36 0.996,37 4.524,38 4.524,39 1,40 7.116,41 7.116,42 1,43 18.292,44 3.325,45 18.67,46 3.513,48 25.857,49 0.33,50 17.123,51 4.382,52 13.063,53 5.23,54 23.935,56 22.021,57 27.784,58 1,59 1.573,61 1,62 1.136,63 2,64 3.092,65 140.536,66 29.716,67 22.414,68 4.879,69 5.335,70 24.861,71 5.4}
{0 CHEMBL1982711,1 1,4 4.426,7 71.77,8 36.678,12 2,13 8.33,14 8.33,15 5.221,16 3,19 2,20 -0.44,22 22.05,25 3,27 0.26,28 1.473,29 113.976,30 0.123,31 12.285,32 1.165,33 4.727,34 11.771,36 0.144,37 4.667,38 4.667,40 6.884,41 6.884,42 1,43 17.691,44 2.846,45 18.665,46 3.54,48 25.327,49 0.218,50 16.543,51 4.263,52 12.879,53 5.241,54 23.438,56 21.556,57 27.221,59 1.478,60 2,61 1,62 0.792,64 2.691,65 19.997,66 29.121,67 22.031,68 4.677,69 1.96,70 24.487,71 5.1}
{0 CHEMBL1982866,4 7.811,6 1,7 52.83,8 60.697,13 7.837,14 7.837,16 6,22 22.083,25 3,26 1.866,27 0.278,28 1.635,29 100.383,30 0.235,31 12.261,32 0.962,33 4.727,34 11.771,36 0.25,37 4.536,38 4.536,39 1,40 6.725,41 6.725,42 1,43 17.381,44 3.65,45 18.143,46 3.653,48 24.969,49 0.481,50 16.25,51 4.357,52 12.678,53 5.222,54 23.101,55 1,56 21.241,57 26.844,58 2,59 1.552,61 1,62 1.062,63 3,64 2.499,65 19.726,66 28.723,67 21.613,68 4.407,69 1.72,70 24.039,71 5.1}
{0 CHEMBL1982874,3 1,4 7.489,5 1,6 1,7 89.38,8 179.367,12 4,13 10.98,14 10.98,15 6.208,16 7,19 3,22 65.645,24 1.583,25 12,26 2.125,27 0.302,28 3.181,29 81.428,30 0.311,31 13.034,32 1.16,33 6.354,34 43.403,36 0.195,37 4.755,38 4.755,40 7.025,41 7.025,43 18.52,44 4.076,45 19.428,46 3.848,47 2,48 25.974,49 0.735,50 17.347,51 5.094,52 13.437,53 5.432,54 24.075,55 2,56 22.183,57 27.879,58 2,59 1.718,62 1.376,64 2.907,65 16.999,66 29.789,67 22.804,68 5.239,70 25.289,71 5.1}
{0 CHEMBL1982880,4 16.345,7 73.57,8 56.399,11 0.4,12 5,13 9.286,14 9.286,16 8,18 2,22 22.8,23 1,25 13,27 0.345,28 1.754,29 71.989,30 0.395,31 12.531,32 0.964,33 4.727,34 2.328,35 2,36 0.28,37 4.611,38 4.611,39 2,40 6.718,41 6.718,42 1,43 17.604,44 3.666,45 18.073,46 3.748,48 25.219,49 0.558,50 16.487,51 4.625,52 13.024,53 5.174,54 23.364,55 2,56 21.516,57 27.08,58 2,59 1.569,61 1,62 1.288,64 2.698,65 18.954,66 28.945,67 21.765,68 4.808,69 1.72,70 24.164,71 5.1}
{0 CHEMBL1982924,4 11.833,7 67.01,8 58.896,12 3,13 8.867,14 8.867,16 4,18 1,20 -0.207,22 26.55,25 6,27 0.185,28 1.919,29 52.93,30 0.277,31 12.491,32 0.892,33 4.727,34 11.771,35 1,36 0.178,37 4.61,38 4.61,39 1,40 6.718,41 6.718,42 1,43 17.55,44 3.613,45 18.073,46 3.752,48 25.173,49 0.575,50 16.435,51 4.543,52 13.018,53 5.209,54 23.32,56 21.474,57 27.033,59 1.647,61 1,62 1.115,64 2.827,65 18.11,66 28.898,67 21.705,68 4.796,69 2.117,70 24.106,71 5.1}
{0 CHEMBL1982957,1 1,3 1,4 2.824,5 1,7 71.77,8 49.961,12 1,13 9.257,14 9.257,15 5.375,16 3,19 2,20 -0.433,22 24.921,25 5,27 0.125,28 1.955,29 74.828,30 0.223,31 12.504,32 0.968,33 4.727,34 11.771,36 0.105,37 4.622,38 4.622,40 6.726,41 6.726,42 1,43 17.634,44 3.568,45 18.109,46 3.735,48 25.274,49 0.356,50 16.514,51 4.595,52 13.033,53 5.216,54 23.417,56 21.565,57 27.135,59 1.627,60 2,61 1,62 1.062,64 2.792,65 20.032,66 29.001,67 21.798,68 4.796,69 1.96,70 24.196,71 5.1}
{0 CHEMBL1982980,4 16.577,7 62.32,8 65.132,11 0.68,12 3,13 9.703,14 9.703,16 2,18 1,20 1.368,22 43.032,25 4,27 0.401,28 2.468,29 157.125,30 0.653,31 12.666,32 0.994,33 4.844,34 4.901,36 0.231,37 4.74,38 4.74,39 1,40 6.964,41 6.964,43 18.221,44 3.983,45 19.437,46 3.644,48 25.805,49 0.725,50 17.06,51 4.615,52 13.257,53 5.358,54 23.916,56 22.033,57 27.699,59 1.778,62 1.263,64 3.258,65 39.789,66 29.598,67 22.462,68 5.066,69 2.873,70 24.928,71 5.5}
{0 CHEMBL1982992,4 13.245,7 86.28,8 33.543,13 7.631,14 7.631,16 3,22 42.753,23 1,24 1.469,27 0.346,28 1.665,29 115.403,30 0.182,31 12.125,32 1.056,33 4.727,34 14.099,36 0.154,37 4.619,38 4.619,40 6.771,41 6.771,42 1,43 17.375,44 3.092,45 17.934,46 3.499,48 24.991,49 0.13,50 16.243,51 4.06,52 12.722,53 5.209,54 23.11,55 1,56 21.237,57 26.878,59 1.228,61 1,62 0.751,64 2.495,65 8.755,66 28.77,67 21.652,68 4.559,69 0.8,70 24.081,71 5.1}
{0 CHEMBL1983006,4 21.471,7 137.23,11 1.437,12 2,13 8.442,14 8.442,16 2,17 0.86,18 1,20 -1.895,22 24.957,23 1,25 3,27 0.774,28 1.176,29 207.752,30 0.75,31 12.152,32 0.797,34 6.604,35 3,36 0.544,37 4.44,38 4.44,39 1,40 6.459,41 6.459,42 1,43 17.056,44 3.223,45 16.741,46 3.5,48 24.742,49 0.194,50 15.974,51 4.127,52 12.819,53 5.1,54 22.927,56 21.117,57 26.564,59 1.534,61 1,62 0.955,63 2,64 3.563,65 58.23,66 28.39,67 20.956,68 4.663,69 4.069,70 23.28,71 5.1}
{0 CHEMBL1983025,3 3,4 23.654,7 134.3,8 84.436,11 0.247,12 1,13 11.578,14 11.578,15 12.642,16 2,19 4,20 -0.295,22 64.525,24 1.59,25 2,27 0.247,28 2.985,29 107.725,30 0.307,31 12.8,32 1.094,33 4.727,34 53.182,36 0.248,37 4.737,38 4.737,40 6.977,41 6.977,43 18.525,44 4.262,45 19.213,46 3.807,48 26.072,49 0.869,50 17.359,51 4.82,52 13.446,53 5.373,54 24.163,56 22.261,57 27.986,59 1.886,60 4,62 1.441,64 3.351,65 30.646,66 29.905,67 22.879,68 5.147,69 2.912,70 25.347,71 5.1}
{0 CHEMBL1983111,4 36.698,7 99.25,8 156.246,11 1.897,12 2,13 12.255,14 12.255,16 7,17 0.847,20 -0.391,22 40.728,23 1,25 2,27 1.283,28 3.317,29 128.741,30 1.254,31 13.068,32 0.998,33 5.533,34 4.227,35 1,36 1.046,37 4.59,38 4.59,40 7.25,41 7.25,42 1,43 19.09,44 4.055,45 20.078,46 3.69,48 26.489,49 0.849,50 17.879,51 5.088,52 13.303,53 5.46,54 24.544,55 2,56 22.606,57 28.439,59 1.879,62 1.418,64 3.52,65 156.709,66 30.395,67 23.374,68 5.037,69 5.335,70 25.908,71 5.1}
{0 CHEMBL1983195,4 12.346,7 84.4,8 140.598,11 0.075,12 4,13 9.041,14 9.041,16 8,20 -0.143,22 31.943,23 1,25 5,27 0.414,28 1.671,29 77.731,30 0.374,31 12.628,32 1.111,33 5.13,34 38.716,35 1,36 0.294,37 4.602,38 4.602,40 6.737,41 6.737,42 1,43 17.69,44 3.962,45 18.222,46 3.77,48 25.337,49 0.689,50 16.571,51 4.762,52 13.071,53 5.241,54 23.486,55 1,56 21.64,57 27.195,58 2,59 1.587,61 1,62 1.49,63 2,64 2.793,65 21.807,66 29.056,67 21.857,68 4.844,69 2.972,70 24.26,71 5.1}
{0 CHEMBL1983309,4 17.748,7 88.69,8 49.094,11 0.86,12 1,13 9.549,14 9.549,16 7,18 2,20 -0.297,22 56.546,23 1,24 1.363,25 5,27 0.565,28 2.1,29 103.079,30 0.278,31 12.329,32 0.742,33 4.727,34 0.746,36 0.367,37 4.494,38 4.494,39 2,40 6.471,41 6.471,42 1,43 17.295,44 3.413,45 16.838,46 3.784,48 24.901,49 0.483,50 16.205,51 4.331,52 12.905,53 5.147,54 23.073,56 21.252,57 26.734,58 2,59 1.545,61 1,62 0.992,63 3,64 2.972,65 23.151,66 28.571,67 21.253,68 4.796,69 2.117,70 23.59,71 5.1}
{0 CHEMBL1983449,4 18.479,7 78.07,12 2,13 8.322,14 8.322,16 5,20 0.206,22 19.933,23 2,25 2,27 0.287,28 1.416,29 135.723,30 0.315,31 12.334,32 0.986,36 0.08,37 4.674,38 4.674,40 6.95,41 6.95,42 1,43 18.005,44 3.46,45 19.621,46 3.713,48 25.4,49 0.628,50 16.838,51 4.127,52 12.979,53 5.29,54 23.502,56 21.613,57 27.306,59 1.516,61 1,62 1.062,63 1,64 2.68,65 14.471,66 29.217,67 22.1,68 4.635,69 1.59,70 24.599,71 5.1}
{0 CHEMBL1983534,4 9.712,7 66.05,8 48.233,13 8.759,14 8.759,16 4,22 46.331,24 1.688,25 3,27 0.118,28 2.362,29 33.571,30 0.11,31 12.258,32 0.991,33 4.727,34 0.746,36 0.114,37 4.511,38 4.511,40 6.335,41 6.335,42 1,43 16.97,44 3.458,45 16.225,46 3.817,48 24.55,49 0.378,50 15.898,51 4.344,52 12.787,53 5.126,54 22.745,56 20.944,57 26.361,59 1.61,61 1,62 1.062,64 2.691,65 12.233,66 28.175,67 20.842,68 4.559,69 1.315,70 23.141,71 5.1}
{0 CHEMBL1983923,4 24.019,7 72.97,8 81.051,11 0.4,12 5,13 7.944,14 7.944,16 6,22 23.677,23 2,25 3,27 0.33,28 2.129,29 50.234,30 0.351,31 12.347,32 1.119,33 4.595,34 9.741,35 1,36 0.269,37 4.295,38 4.295,40 6.216,41 6.216,42 1,43 16.718,44 3.968,45 15.697,46 3.784,48 24.324,49 0.825,50 15.69,51 4.454,52 12.729,53 4.989,54 22.561,55 2,56 20.805,57 26.094,58 2,59 1.787,61 1,62 1.376,63 2,64 2.704,65 23.534,66 27.869,67 20.461,68 4.543,69 1.2,70 22.725,71 5.1}
{0 CHEMBL1983932,4 17.68,7 76.14,11 0.247,12 1,13 7.732,14 7.732,16 8,18 1,20 -0.376,22 21.947,23 2,25 3,27 0.365,28 1.545,29 69.716,30 0.271,31 12.195,32 0.805,34 9.23,36 0.321,37 4.524,38 4.524,39 1,40 6.527,41 6.527,42 1,43 16.993,44 3.324,45 17.182,46 3.744,48 24.655,49 0.298,50 15.912,51 4.263,52 12.781,53 5.106,54 22.828,56 21.011,57 26.489,58 1,59 1.544,61 1,62 0.971,63 2,64 2.933,65 21.239,66 28.329,67 21.067,68 4.677,69 2.912,70 23.429,71 5.1}
{0 CHEMBL1983945,3 1,4 11.193,7 96.69,8 70.587,12 3,13 8.334,14 8.334,15 6.154,16 3,19 1,20 -0.243,22 24.27,25 4,27 0.26,28 2.057,29 91.613,30 0.257,31 12.387,32 1.011,33 4.727,34 13.915,36 0.122,37 4.529,38 4.529,40 6.538,41 6.538,42 1,43 17.18,44 3.83,45 17.104,46 3.771,48 24.85,49 0.574,50 16.105,51 4.382,52 12.961,53 5.109,54 23.029,56 21.216,57 26.678,59 1.853,60 1,61 1,62 1.269,64 2.726,65 21.106,66 28.512,67 21.187,68 4.732,69 3.416,70 23.531,71 5.1}
{0 CHEMBL1983963,4 17.311,7 106.07,8 62.79,10 2,13 8.081,14 8.081,15 5.942,16 4,19 1,20 -0.306,22 28.654,23 2,25 3,27 0.337,28 1.772,29 101.121,30 0.313,31 12.519,32 0.847,33 4.727,34 18.375,36 0.31,37 4.666,38 4.666,40 6.884,41 6.884,42 1,43 17.716,44 3.525,45 18.662,46 3.779,48 25.321,49 0.43,50 16.579,51 4.522,52 13.07,53 5.287,54 23.442,55 2,56 21.572,57 27.209,59 1.639,60 1,61 1,62 1.231,63 1,64 2.744,65 25.32,66 29.104,67 22.031,68 4.902,69 2.912,70 24.486,71 5.1}
{0 CHEMBL1984038,4 29.987,7 130.89,11 0.86,12 3,13 10.418,14 10.418,16 3,17 0.86,18 3,20 -0.271,22 47.39,23 1,25 5,27 0.556,28 3.698,29 102.458,30 0.786,31 13.058,32 0.934,33 2.708,36 0.621,37 4.661,38 4.661,39 3,40 6.632,41 6.632,43 18.433,44 4.393,45 17.737,46 3.922,48 25.967,49 0.905,50 17.306,51 5.204,52 13.664,53 5.197,54 24.112,55 1,56 22.261,57 27.825,59 1.889,62 1.517,63 1,64 3.377,65 71.437,66 29.685,67 22.469,68 5.509,69 2.117,70 24.839,71 5.1}
{0 CHEMBL1984044,1 1,3 2,4 14.545,7 84.24,8 58.981,10 1,11 0.8,12 2,13 8.935,14 8.935,15 5.423,16 7,18 1,19 1,20 -0.481,22 33.845,23 1,25 7,27 0.271,28 1.684,29 85.828,30 0.077,31 12.404,32 1.22,33 4.727,34 2.144,35 1,36 0.216,37 4.622,38 4.622,39 1,40 6.694,41 6.694,42 1,43 17.511,44 3.696,45 17.904,46 3.597,47 1,48 25.12,49 0.869,50 16.39,51 4.477,52 12.912,53 5.217,54 23.269,56 21.425,57 26.978,58 1,59 1.649,60 1,61 1,62 1.434,63 1,64 2.9,65 29.204,66 28.841,67 21.621,68 4.732,69 1.96,70 24.015,71 5.1}
{0 CHEMBL1984162,4 31.057,6 1,7 126.14,8 180.327,10 3,11 0.4,12 2,13 10.319,14 10.319,15 6.35,16 11,19 1,22 52.581,23 3,25 14,26 2.031,27 0.609,28 3.804,29 131.424,30 0.482,31 13.112,32 0.915,33 5.476,34 7.164,36 0.465,37 4.761,38 4.761,39 2,40 7.049,41 7.049,43 18.486,44 4.386,45 19.667,46 3.79,48 25.968,49 0.901,50 17.32,51 5.236,52 13.494,53 5.383,54 24.078,55 3,56 22.197,57 27.865,58 1,59 1.916,62 1.554,63 2,64 2.933,65 37.251,66 29.769,67 22.753,68 5.308,69 1.72,70 25.237,71 5.1}
{0 CHEMBL1984191,4 2.167,7 54.46,8 49.023,12 1,13 8.374,14 8.374,16 4,22 18.886,23 1,25 1,27 0.255,28 1.368,29 128.531,30 0.222,31 12.154,32 0.855,33 4.595,34 2.757,36 0.163,37 4.502,38 4.502,40 6.697,41 6.697,42 1,43 17.311,44 2.988,45 18.032,46 3.62,48 25.02,49 0.157,50 16.196,51 4.127,52 12.681,53 5.189,54 23.157,55 1,56 21.3,57 26.887,58 1,59 1.422,61 1,62 0.795,63 1,64 2.444,65 11.272,66 28.758,67 21.552,68 4.407,70 23.96,71 5.1}
{0 CHEMBL1984206,3 2,4 16.608,7 113.92,9 1,10 3,11 0.86,12 1,13 8.288,14 8.288,15 5.777,16 7,17 0.473,18 1,20 -0.394,22 28.102,23 3,25 2,27 0.409,28 1.103,29 133.672,30 0.468,31 12.01,32 0.755,34 4.815,35 3,36 0.275,37 4.473,38 4.473,39 1,40 6.504,41 6.504,42 1,43 16.986,44 3.334,45 17.043,46 3.422,48 24.704,49 0.218,50 15.896,51 3.97,52 12.655,53 5.093,54 22.873,55 1,56 21.048,57 26.541,59 1.604,61 1,62 1.062,63 2,64 3.074,65 25.567,66 28.381,67 21.005,68 4.388,69 4.069,70 23.352,71 5.1}
{0 CHEMBL1984274,4 19.153,6 1,7 128.49,8 82.759,12 3,13 11.366,14 11.366,16 7,20 -0.942,21 1,22 29.993,23 2,25 15,26 1.372,27 0.565,28 2.263,29 142.962,30 0.396,31 12.879,32 0.913,33 4.844,34 33.326,35 2,36 0.282,37 4.64,38 4.64,40 6.885,41 6.885,42 1,43 18.362,44 3.985,45 18.992,46 3.791,48 25.95,49 0.394,50 17.201,51 4.89,52 13.314,53 5.27,54 24.053,56 22.162,57 27.851,58 1,59 1.667,61 1,62 1.278,63 3,64 3.39,65 18.233,66 29.756,67 22.665,68 4.987,69 1.96,70 25.126,71 5.9}
{0 CHEMBL1984363,3 1,4 16.28,7 83.8,8 66.529,12 1,13 8.386,14 8.386,15 5.985,16 2,19 3,20 -0.153,22 38.904,25 3,27 0.319,28 2.126,29 89.665,30 0.358,31 12.573,32 0.931,33 4.727,34 19.432,36 0.136,37 4.661,38 4.661,40 6.879,41 6.879,42 1,43 17.773,44 3.664,45 18.697,46 3.805,48 25.406,49 0.599,50 16.644,51 4.543,52 13.148,53 5.226,54 23.533,56 21.67,57 27.286,59 1.698,60 1,61 1,62 1.298,64 3.154,65 21.055,66 29.173,67 22.056,68 4.997,69 3.497,70 24.504,71 5.1}
{0 CHEMBL1984367,4 14.261,7 89.26,8 130.822,11 0.473,12 5,13 8.727,14 8.727,16 4,20 -0.075,22 54.221,24 1.401,25 6,27 0.218,28 2.527,29 41.808,30 0.146,31 12.551,32 0.877,33 5.416,34 4.115,35 1,36 0.178,37 4.653,38 4.653,40 6.746,41 6.746,42 1,43 17.713,44 3.65,45 18.236,46 3.823,48 25.276,49 0.659,50 16.586,51 4.605,52 13.065,53 5.323,54 23.423,56 21.577,57 27.135,59 1.668,61 1,62 1.239,64 2.997,65 15.536,66 29,67 21.798,68 4.844,69 2.162,70 24.203,71 5.1}
{0 CHEMBL1984432,4 11.664,6 1,7 59.39,8 112.712,12 1,13 8.933,14 8.933,16 3,22 22.322,25 9,26 1.882,27 0.154,28 1.78,29 49.867,30 0.274,31 12.378,32 0.946,33 5.283,34 13.915,36 0.107,37 4.471,38 4.471,40 6.307,41 6.307,42 1,43 17.16,44 3.33,45 16.142,46 3.755,48 24.796,49 0.522,50 16.093,51 4.407,52 12.954,53 5.037,54 22.991,55 1,56 21.19,57 26.604,58 1,59 1.645,61 1,62 1.284,64 2.757,65 11.291,66 28.415,67 21,68 4.808,69 1.043,70 23.289,71 5.1}
{0 CHEMBL1984500,4 8.035,7 29.1,8 17.013,13 6.764,14 6.764,16 1,20 0.029,22 16.237,25 2,27 0.183,28 0.972,29 25.145,31 11.628,33 4.727,36 0.105,37 4.465,38 4.465,40 6.65,41 6.65,43 17.089,45 17.57,46 3.256,48 24.716,50 15.958,51 3.258,52 12.191,53 5.102,54 22.84,56 20.969,57 26.595,59 0.873,61 1,64 2.108,65 9.033,66 28.478,67 21.23,68 3.98,69 2.162,70 23.629,71 4.1}
{0 CHEMBL1984541,4 14.204,7 61.36,11 0.765,13 9.898,14 9.898,16 2,20 2.392,22 49.404,23 1,25 3,27 0.29,28 3.082,29 98.618,30 0.088,31 12.373,32 0.903,36 0.029,37 4.557,38 4.557,40 6.87,41 6.87,42 1,43 18.258,44 3.084,45 18.841,46 3.563,48 25.534,49 0.469,50 17.08,51 4.431,52 12.855,53 5.483,54 23.649,56 21.769,57 27.422,59 1.318,61 1,62 0.951,64 3.137,65 10.316,66 29.315,67 22.254,68 4.62,69 5.9,70 24.691,71 5.1}
{0 CHEMBL1984586,4 15.479,7 106.07,8 62.352,10 2,13 8.709,14 8.709,15 5.944,16 4,19 1,20 -0.302,22 28.654,23 2,25 3,27 0.353,28 1.801,29 101.121,30 0.236,31 12.535,32 0.968,33 4.727,34 18.375,36 0.31,37 4.666,38 4.666,40 6.884,41 6.884,42 1,43 17.773,44 3.546,45 18.662,46 3.779,48 25.409,49 0.433,50 16.638,51 4.5,52 13.094,53 5.287,54 23.531,55 2,56 21.662,57 27.294,59 1.628,60 1,61 1,62 1.233,63 1,64 2.895,65 25.356,66 29.185,67 22.079,68 4.902,69 2.912,70 24.527,71 5.1}
{0 CHEMBL1984633,4 13.021,7 92.35,8 71.212,11 0.473,12 1,13 8.866,14 8.866,16 6,18 1,20 -0.136,22 49.885,23 1,24 1.363,25 6,27 0.266,28 1.979,29 69.716,30 0.343,31 12.191,32 0.751,33 4.595,34 1.358,35 1,36 0.206,37 4.353,38 4.353,39 1,40 6.266,41 6.266,42 1,43 16.921,44 3.512,45 16.025,46 3.72,48 24.666,49 0.57,50 15.867,51 4.159,52 12.705,53 5.048,54 22.865,56 21.068,57 26.469,59 1.548,61 1,62 1.062,63 1,64 2.853,65 21.3,66 28.275,67 20.79,68 4.46,69 2.162,70 23.067,71 5.1}
{0 CHEMBL1984700,4 19.097,7 97.46,8 67.617,12 2,13 9.963,14 9.963,16 5,18 1,22 40.233,25 3,27 0.967,28 2.263,29 150.746,30 0.806,31 12.932,32 0.983,33 4.844,34 51.162,35 3,36 0.442,37 4.779,38 4.779,39 1,40 7.09,41 7.09,42 1,43 18.584,44 4.24,45 19.94,46 3.769,47 1,48 26.014,49 0.767,50 17.41,51 5.056,52 13.38,53 5.392,54 24.116,55 3,56 22.224,57 27.919,58 3,59 1.842,61 1,62 1.336,63 1,64 3.173,65 39.217,66 29.83,67 22.859,68 5.19,69 1.72,70 25.35,71 5.1}
{0 CHEMBL1984711,4 33.976,7 103.56,8 89.482,11 0.86,12 6,13 9.241,14 9.241,16 7,17 0.4,18 3,21 1,22 43.163,23 3,25 5,27 0.636,28 2.615,29 95.901,30 0.567,31 12.547,32 0.897,33 4.595,34 4.227,35 1,36 0.467,37 4.425,38 4.425,39 3,40 6.524,41 6.524,43 17.344,44 3.857,45 17.184,46 3.747,48 25.018,49 0.798,50 16.268,51 4.585,52 12.928,53 5.089,54 23.198,55 1,56 21.384,57 26.844,58 5,59 1.605,62 1.512,63 2,64 2.885,65 33.332,66 28.675,67 21.371,68 4.745,69 1.72,70 23.707,71 5.1}
{0 CHEMBL1984788,1 1,3 2,4 15.397,7 83.8,8 52.886,10 1,12 1,13 9.886,14 9.886,15 5.398,16 3,20 -0.629,22 42.78,23 1,25 4,27 0.577,28 2.632,29 128.936,30 0.299,31 12.659,32 1.005,33 4.727,34 17.104,35 1,36 0.217,37 4.655,38 4.655,40 6.731,41 6.731,42 1,43 17.889,44 3.545,45 18.144,46 3.672,47 1,48 25.472,49 0.579,50 16.757,51 4.727,52 13.1,53 5.226,54 23.61,56 21.755,57 27.337,59 1.62,60 1,61 1,62 1.266,63 1,64 3.058,65 32.255,66 29.206,67 21.991,68 4.945,69 1.96,70 24.393,71 5.1}
{0 CHEMBL1984842,4 16.003,7 97.46,8 72.017,12 4,13 10.767,14 10.767,16 4,18 1,22 35.704,25 6,27 0.925,28 2.368,29 135.785,30 0.472,31 12.886,32 1.081,33 4.844,34 36.202,35 1,36 0.377,37 4.767,38 4.767,39 1,40 7.065,41 7.065,43 18.582,44 4.346,45 19.757,46 3.775,47 1,48 26.037,49 0.774,50 17.407,51 5.024,52 13.336,53 5.375,54 24.132,55 3,56 22.235,57 27.946,58 3,59 1.879,62 1.354,63 1,64 2.966,65 42.813,66 29.86,67 22.881,68 5.112,69 1.72,70 25.364,71 5.1}
{0 CHEMBL1985074,4 10.33,7 67.29,13 9.063,14 9.063,16 3,20 -0.131,22 57.275,25 4,27 0.26,28 2.169,29 81.079,30 0.202,31 12.344,32 1.406,36 0.142,37 4.668,38 4.668,40 6.847,41 6.847,42 1,43 17.78,44 2.904,45 18.923,46 3.538,48 25.328,49 0.233,50 16.621,51 4.407,52 12.828,53 5.264,54 23.445,56 21.568,57 27.217,59 1.298,61 1,62 0.786,64 3.276,65 13.041,66 29.11,67 21.948,68 4.677,69 5.9,70 24.403,71 5.1}
{0 CHEMBL1985092,4 15.401,7 81.17,8 74.607,13 8.217,14 8.217,16 1,22 20.899,25 2,27 0.319,28 2.055,29 141.178,30 0.411,31 12.563,32 0.899,33 4.727,34 5.085,36 0.09,37 4.596,38 4.596,40 6.909,41 6.909,43 17.743,44 3.991,45 18.846,46 3.793,48 25.352,49 0.318,50 16.6,51 4.654,52 13.011,53 5.261,54 23.467,56 21.593,57 27.246,59 1.616,62 1.062,64 2.733,65 11.038,66 29.147,67 22.128,68 4.808,69 0.8,70 24.598,71 5.1}
{0 CHEMBL1985095,3 2,4 9.628,6 1,7 156.74,8 176.034,9 1,12 6,13 10.969,14 10.969,15 11.338,16 3,19 1,20 -0.443,22 63.226,24 1.732,25 4,26 1.755,27 0.236,28 3.683,29 141.173,30 0.418,31 13.087,32 1.103,33 5.82,34 20.063,35 1,36 0.239,37 4.731,38 4.731,40 6.887,41 6.887,42 1,43 18.438,44 4.17,45 19.008,46 3.968,48 25.914,49 0.649,50 17.279,51 5.236,52 13.548,53 5.389,54 24.032,55 1,56 22.157,57 27.801,58 2,59 1.802,61 1,62 1.386,64 3.154,65 30.904,66 29.692,67 22.626,68 5.373,69 3.388,70 25.075,71 5.1}
{0 CHEMBL1985311,4 19.558,7 116.06,8 69.082,11 0.247,12 1,13 8.93,14 8.93,15 5.987,16 2,19 3,20 -0.59,21 1,22 35.512,25 2,27 0.461,28 2.056,29 132.349,30 0.527,31 12.609,32 0.968,33 4.727,34 19.236,36 0.297,37 4.661,38 4.661,40 6.879,41 6.879,42 1,43 17.806,44 3.589,45 18.697,46 3.796,48 25.441,49 0.457,50 16.676,51 4.585,52 13.161,53 5.254,54 23.568,56 21.705,57 27.321,59 1.746,60 1,61 1,62 1.221,64 3.134,65 29.275,66 29.208,67 22.093,68 4.997,69 2.912,70 24.535,71 5.1}
{0 CHEMBL1985406,4 10.255,7 57.78,8 50.422,12 1,13 10.046,14 10.046,16 3,20 -0.125,21 1,22 41.432,23 1,25 3,27 0.495,28 1.525,29 71.728,30 0.48,31 12.4,32 0.82,33 4.727,34 29.92,36 0.228,37 4.59,38 4.59,40 6.645,41 6.645,42 1,43 17.621,44 3.402,45 17.759,46 3.569,48 25.268,49 0.457,50 16.5,51 4.419,52 12.957,53 5.162,54 23.406,56 21.549,57 27.135,59 1.711,61 1,62 1.074,64 3.078,65 27.222,66 29.004,67 21.742,68 4.796,69 3.306,70 24.133,71 5.1}
{0 CHEMBL1985566,4 40.342,7 103.37,11 0.86,12 7,13 9.501,14 9.501,16 9,17 0.86,18 2,20 -0.168,22 65.204,23 1,25 10,27 0.343,28 3.729,29 89.204,30 0.492,31 12.967,32 1.083,33 2.708,36 0.308,37 4.483,38 4.483,39 3,40 6.544,41 6.544,43 17.796,44 4.312,45 17.208,46 3.874,48 25.492,49 1.003,50 16.711,51 5.165,52 13.359,53 5.227,54 23.669,56 21.85,57 27.319,59 1.906,62 1.548,64 3.161,65 30.984,66 29.149,67 21.802,68 5.121,69 5.034,70 24.129,71 5.1}
{0 CHEMBL1985580,3 1,4 11.193,7 80.9,12 5,13 8.336,14 8.336,15 6.208,16 3,19 2,20 -0.236,22 24.699,25 4,27 0.232,28 2.259,29 91.613,30 0.269,31 12.384,32 0.927,36 0.128,37 4.498,38 4.498,40 6.518,41 6.518,42 1,43 17.078,44 3.902,45 17.115,46 3.771,48 24.831,49 0.667,50 16.017,51 4.419,52 12.957,53 5.09,54 23.013,56 21.203,57 26.655,59 1.799,60 1,61 1,62 1.278,64 2.726,65 20.782,66 28.485,67 21.139,68 4.732,69 3.416,70 23.481,71 5.1}
{0 CHEMBL1986139,4 11.088,7 66.05,8 30.955,13 7.329,14 7.329,16 3,22 42.753,23 1,24 1.516,27 0.254,28 1.647,29 72.72,30 0.115,31 12.05,32 0.986,33 4.727,34 14.099,36 0.113,37 4.618,38 4.618,40 6.771,41 6.771,42 1,43 17.338,44 3.053,45 17.93,46 3.498,48 24.962,49 0.218,50 16.201,51 3.97,52 12.635,53 5.207,54 23.076,55 1,56 21.197,57 26.854,59 1.208,61 1,62 0.738,64 2.352,65 7.991,66 28.751,67 21.639,68 4.407,69 0.8,70 24.07,71 5.1}
{0 CHEMBL1986186,4 14.61,7 78.07,12 2,13 11.24,14 11.24,16 6,20 0.294,22 8.27,23 2,25 3,27 0.424,28 0.973,29 135.723,30 0.512,31 12.258,32 0.774,36 0.073,37 4.686,38 4.686,40 7.079,41 7.079,42 1,43 18.598,44 3.405,45 19.749,46 3.605,48 26.033,49 0.469,50 17.406,51 3.97,52 12.957,53 5.365,54 24.095,56 22.161,57 27.974,59 1.5,61 1,62 1.062,63 1,64 2.669,65 18.653,66 29.917,67 22.669,68 4.527,69 1.2,70 25.155,71 5.3}
{0 CHEMBL1986263,4 21.932,7 97.28,8 66.112,11 0.86,12 4,13 8.431,14 8.431,16 8,17 0.4,18 1,20 1.836,22 54.359,23 1,25 2,27 0.259,28 2.033,29 69.716,30 0.32,31 12.365,32 0.898,33 4.844,34 4.969,36 0.314,37 4.514,38 4.514,39 1,40 6.77,41 6.77,42 1,43 17.627,44 3.554,45 18.326,46 3.679,48 25.174,49 0.574,50 16.494,51 4.29,52 12.818,53 5.251,54 23.312,55 2,56 21.457,57 27.044,58 3,59 1.56,61 1,62 1.237,63 1,64 2.96,65 21.361,66 28.92,67 21.692,68 4.575,69 8.339,70 24.108,71 5.1}
{0 CHEMBL1986328,4 9.184,7 84.4,8 125.216,11 0.075,12 2,13 9.018,14 9.018,16 6,20 -0.212,22 27.732,23 1,25 5,27 0.539,28 1.63,29 77.731,30 0.442,31 12.583,32 1.077,33 5.13,34 38.716,35 1,36 0.336,37 4.602,38 4.602,40 6.737,41 6.737,42 1,43 17.651,44 3.797,45 18.222,46 3.77,48 25.279,49 0.535,50 16.529,51 4.727,52 13.05,53 5.241,54 23.426,55 1,56 21.581,57 27.137,58 2,59 1.587,61 1,62 1.362,63 2,64 2.79,65 18.886,66 29,67 21.811,68 4.844,69 2.972,70 24.221,71 5.1}
{0 CHEMBL1986499,3 2,4 13.171,5 2,6 1,7 85.41,8 142.99,12 3,13 10.117,14 10.117,15 5.995,16 5,19 2,21 1,22 33.342,25 13,26 1.834,27 0.331,28 2.348,29 97.724,30 0.439,31 12.777,32 1.06,33 5.416,34 17.717,36 0.133,37 4.633,38 4.633,40 6.914,41 6.914,43 18.049,44 4.055,45 18.912,46 3.81,48 25.641,49 0.485,50 16.904,51 4.852,52 13.242,53 5.257,54 23.756,55 1,56 21.879,57 27.533,58 1,59 1.747,60 1,61 1,62 1.117,64 2.891,65 13.689,66 29.429,67 22.362,68 5.007,69 1.043,70 24.814,71 5.1}
{0 CHEMBL1986530,4 28.588,7 95.08,11 0.98,12 9,13 10.346,14 10.346,16 7,17 0.8,20 2.167,22 57.024,25 7,27 0.818,28 3.404,29 115.484,30 0.681,31 12.761,32 1.076,34 16.859,36 0.384,37 4.497,38 4.497,40 6.676,41 6.676,42 1,43 17.867,44 4.06,45 17.924,46 3.812,48 25.59,49 0.808,50 16.758,51 4.804,52 13.135,53 5.203,54 23.732,55 4,56 21.88,57 27.452,59 1.834,61 1,62 1.376,64 3.185,65 28.974,66 29.318,67 22.035,68 4.844,69 2.293,70 24.424,71 5.1}
{0 CHEMBL1986588,1 1,4 8.412,6 1,7 89.15,8 48.733,9 1,13 7.899,14 7.899,15 5.179,16 4,19 1,20 -0.374,21 1,22 42.987,24 1.379,25 6,26 1.766,27 0.15,28 1.457,29 74.705,30 0.23,31 11.994,33 5.476,34 1.358,35 1,36 0.159,37 4.678,38 4.678,40 6.738,41 6.738,42 1,43 17.602,44 1.698,45 17.769,46 3.157,48 24.996,50 16.443,51 3.761,52 12.66,53 5.311,54 23.122,56 21.253,57 26.876,58 1,59 1.239,60 2,61 1,62 0.503,64 2.18,65 20.387,66 28.76,67 21.584,68 4.543,69 1.96,70 24.004,71 4.1}
{0 CHEMBL1986597,1 1,3 2,4 20.29,7 155.86,8 87.986,10 1,11 0.86,12 8,13 10.842,14 10.842,15 5.439,16 4,17 0.4,19 1,20 -0.991,22 43.286,23 1,25 13,27 0.921,28 3.745,29 155.285,30 0.453,31 12.932,32 1.101,33 4.727,34 2.144,35 1,36 0.602,37 4.934,38 4.934,39 1,40 7.668,41 7.668,43 19.11,44 4.097,45 21.624,46 3.847,47 1,48 26.754,49 0.825,50 17.889,51 4.913,52 13.658,53 5.541,54 24.767,55 3,56 22.791,57 28.749,58 3,59 1.903,60 1,62 1.455,63 1,64 3.546,65 69.636,66 30.75,67 23.656,68 5.414,69 2.117,70 26.249,71 5.1}
{0 CHEMBL1986603,4 27.537,6 1,7 155.21,8 328.41,11 0.247,12 1,13 9.032,14 9.032,16 10,17 0.149,20 -0.7,22 63.233,23 2,24 1.385,25 6,26 1.785,27 0.626,28 2.274,29 113.069,30 0.607,31 12.515,32 0.998,33 5.687,34 25.182,36 0.409,37 4.451,38 4.451,40 6.503,41 6.503,42 1,43 17.304,44 3.749,45 16.942,46 3.86,48 24.944,49 0.661,50 16.229,51 4.489,52 13.054,53 5.151,54 23.128,56 21.32,57 26.766,58 1,59 1.707,61 1,62 1.518,63 2,64 3.13,65 30.395,66 28.593,67 21.25,68 4.89,69 3.306,70 23.574,71 5.1}
{0 CHEMBL1986781,4 18.58,7 88.56,8 140.707,11 0.4,12 2,13 8.454,14 8.454,16 7,20 0.106,22 40.44,23 1,25 4,27 0.575,28 2.69,29 99.969,30 0.537,31 12.834,32 1.01,33 5.416,34 43.158,35 1,36 0.454,37 4.736,38 4.736,40 7.02,41 7.02,42 1,43 18.163,44 3.96,45 19.41,46 3.805,47 1,48 25.671,49 0.753,50 16.999,51 4.949,52 13.202,53 5.351,54 23.782,55 5,56 21.902,57 27.568,58 3,59 1.721,61 1,62 1.376,63 1,64 2.912,65 28.029,66 29.473,67 22.493,68 4.987,69 3.348,70 24.986,71 5.1}
{0 CHEMBL1986943,4 13.245,7 86.72,8 47.456,12 2,13 8.377,14 8.377,16 6,22 25.34,23 1,25 3,27 0.447,28 2.346,29 132.189,30 0.409,31 12.44,32 1.057,33 4.727,34 55.891,36 0.238,37 4.6,38 4.6,40 6.714,41 6.714,42 1,43 17.462,44 3.655,45 18.109,46 3.73,48 25.041,49 0.74,50 16.347,51 4.511,52 12.846,53 5.216,54 23.187,55 1,56 21.342,57 26.903,59 1.624,61 1,62 1.151,64 2.783,65 24.54,66 28.772,67 21.617,68 4.677,69 0.8,70 24.027,71 6.6}
{0 CHEMBL1986970,4 16.403,6 1,7 88.93,8 152.879,11 0.522,12 5,13 9.315,14 9.315,16 3,17 0.293,20 -0.148,22 30.11,25 9,26 1.663,27 0.498,28 2.112,29 86.011,30 0.583,31 12.659,32 0.951,33 5.352,34 4.901,36 0.334,37 4.614,38 4.614,39 1,40 6.942,41 6.942,42 1,43 17.956,44 4.079,45 19.034,46 3.765,48 25.572,49 0.645,50 16.809,51 4.7,52 13.102,53 5.267,54 23.686,55 2,56 21.809,57 27.464,58 2,59 1.704,61 1,62 1.418,63 4,64 2.906,65 21.1,66 29.361,67 22.271,68 4.844,69 2.293,70 24.734,71 5.1}
{0 CHEMBL1986996,4 17.903,7 123.36,8 67.441,11 1.437,12 4,13 8.662,14 8.662,16 5,17 1.181,20 -1.588,22 48.555,23 4,25 1,27 0.522,28 1.818,29 124.033,30 0.581,31 12.207,32 0.803,33 4.844,34 11.771,36 0.289,37 4.548,38 4.548,40 6.854,41 6.854,42 1,43 17.716,44 3.288,45 18.79,46 3.518,48 25.298,49 0.218,50 16.561,51 4.043,52 12.782,53 5.301,54 23.412,55 1,56 21.534,57 27.188,58 2,59 1.583,61 1,62 1.062,63 3,64 3.529,65 40.293,66 29.084,67 21.93,68 4.388,69 6.301,70 24.38,71 5.8}
{0 CHEMBL1987007,4 14.036,7 89.26,8 106.994,12 1,13 8.814,14 8.814,16 4,20 0.02,22 55.453,23 1,24 1.445,25 4,27 0.274,28 2.912,29 41.808,30 0.134,31 12.488,32 1.135,33 5.416,34 4.115,35 1,36 0.18,37 4.653,38 4.653,40 6.746,41 6.746,42 1,43 17.663,44 3.584,45 18.238,46 3.742,48 25.18,49 0.748,50 16.53,51 4.522,52 12.89,53 5.325,54 23.32,56 21.468,57 27.046,58 1,59 1.595,61 1,62 1.376,64 2.804,65 16.568,66 28.917,67 21.759,68 4.663,69 2.117,70 24.175,71 5.1}
{0 CHEMBL1987009,4 12.058,7 95.25,8 120.677,11 0.473,12 3,13 8.727,14 8.727,16 4,18 1,20 -0.102,22 56.708,24 1.385,25 6,27 0.232,28 2.458,29 52.808,30 0.31,31 12.512,32 1.104,33 5.416,34 4.115,35 2,36 0.188,37 4.653,38 4.653,39 1,40 6.746,41 6.746,42 1,43 17.665,44 3.6,45 18.236,46 3.822,48 25.193,49 0.583,50 16.534,51 4.554,52 13.024,53 5.324,54 23.336,56 21.486,57 27.057,59 1.605,61 1,62 1.263,64 2.942,65 17.842,66 28.926,67 21.764,68 4.796,69 2.162,70 24.176,71 5.1}
{0 CHEMBL1987034,4 27.039,5 2,7 151.4,11 0.4,13 9,14 9,15 5.159,16 2,17 0.4,18 1,19 1,22 24.182,23 1,25 8,27 0.568,28 2.209,29 151.235,30 0.567,31 12.366,32 0.965,34 4.227,35 3,36 0.489,37 4.805,38 4.805,39 1,40 7.116,41 7.116,43 18.175,44 3.707,45 18.669,46 3.884,48 25.726,49 0.519,50 17.009,51 4.369,52 13.297,53 5.311,54 23.807,55 2,56 21.899,57 27.652,59 1.64,60 2,62 1.149,64 3.2,65 71.609,66 29.584,67 22.24,68 5.121,69 5.199,70 24.69,71 6.1}
{0 CHEMBL1987054,4 30.233,6 1,7 126.14,8 180.327,10 3,11 0.4,12 2,13 10.319,14 10.319,15 6.339,16 10,19 1,22 52.896,23 3,25 13,26 2.018,27 0.682,28 3.825,29 170.573,30 0.565,31 13.112,32 0.877,33 5.476,34 7.164,36 0.519,37 4.761,38 4.761,39 2,40 7.049,41 7.049,43 18.486,44 4.372,45 19.667,46 3.799,48 25.968,49 0.901,50 17.32,51 5.236,52 13.494,53 5.383,54 24.078,55 3,56 22.197,57 27.865,58 1,59 1.916,62 1.536,63 2,64 2.934,65 36.936,66 29.769,67 22.753,68 5.308,69 1.72,70 25.237,71 5.1}
{0 CHEMBL1987143,3 1,4 3.162,7 56.21,8 30.961,13 8.824,14 8.824,15 5.713,16 3,19 2,22 9.986,25 4,27 0.1,28 1.121,29 66.223,30 0.092,31 12.013,32 0.946,33 4.727,34 11.771,36 0.117,37 4.556,38 4.556,40 6.52,41 6.52,42 1,43 17.099,44 2.572,45 16.749,46 3.254,48 24.741,49 0.218,50 15.996,51 3.989,52 12.626,53 5.08,54 22.896,55 2,56 21.055,57 26.59,59 1.186,61 1,62 0.9,64 1.992,65 8.425,66 28.441,67 21.13,68 4.407,70 23.474,71 4.1}
{0 CHEMBL1987359,4 19.67,7 83.36,11 0.4,12 3,13 9.726,14 9.726,16 4,17 0.4,20 -0.519,22 37.175,25 7,27 0.398,28 2.348,29 92.973,30 0.262,31 12.684,32 1.078,35 2,36 0.252,37 4.776,38 4.776,40 7.134,41 7.134,42 1,43 18.393,44 3.88,45 20.41,46 3.518,48 25.883,49 0.771,50 17.191,51 4.812,52 13.001,53 5.426,54 23.963,55 2,56 22.049,57 27.809,59 1.692,61 1,62 1.385,63 1,64 3.106,65 24.761,66 29.739,67 22.77,68 4.718,69 2.549,70 25.304,71 5.1}
{0 CHEMBL1987648,4 13.037,7 88.23,8 61.314,12 2,13 10.767,14 10.767,16 4,22 29.054,25 6,27 0.748,28 2.187,29 124.786,30 0.314,31 12.812,32 1.083,33 4.844,34 31.387,35 1,36 0.274,37 4.763,38 4.763,40 7.059,41 7.059,42 1,43 18.559,44 4.144,45 19.689,46 3.776,47 1,48 26.011,49 0.608,50 17.384,51 4.913,52 13.305,53 5.372,54 24.106,55 2,56 22.207,57 27.922,58 2,59 1.861,61 1,62 1.311,63 1,64 2.919,65 34.206,66 29.836,67 22.849,68 5.075,69 0.8,70 25.332,71 5.1}
{0 CHEMBL1987679,3 2,4 16.738,7 109.93,8 143.43,11 0.366,12 1,13 9.748,14 9.748,15 6.313,16 3,18 1,19 1,20 -0.471,22 41.407,25 6,27 0.344,28 2.405,29 96.827,30 0.429,31 12.662,32 1.001,33 5.416,34 20.678,36 0.344,37 4.527,38 4.527,39 2,40 6.533,41 6.533,42 1,43 17.61,44 3.782,45 17.025,46 3.755,48 25.2,49 0.687,50 16.517,51 4.682,52 13.132,53 5.134,54 23.368,55 1,56 21.542,57 27.037,58 1,59 1.802,60 1,61 1,62 1.258,64 3.029,65 32.763,66 28.878,67 21.605,68 4.945,69 3.889,70 23.945,71 5.1}
{0 CHEMBL1987756,4 10.974,7 79.47,12 2,13 9.18,14 9.18,16 2,22 19.254,25 6,27 0.322,28 2.948,29 61.098,30 0.238,31 12.317,32 1.101,35 2,36 0.318,37 4.912,38 4.912,40 7.422,41 7.422,42 1,43 18.623,44 3.635,45 20.871,46 3.929,48 26.178,49 0.64,50 17.401,51 4.174,52 13.27,53 5.436,54 24.201,55 1,56 22.231,57 28.161,58 2,59 1.7,61 1,62 1.143,64 2.809,65 51.44,66 30.147,67 23.111,68 5.037,69 1.315,70 25.68,71 5.1}
{0 CHEMBL1987982,4 12.346,7 37.05,8 59.683,11 0.394,12 1,13 10.196,14 10.196,16 2,18 1,20 1.307,22 29.449,25 2,27 0.351,28 2.28,29 55.88,30 0.331,31 12.556,32 1.014,33 4.727,34 13.915,36 1.128,37 4.621,38 4.621,39 1,40 6.726,41 6.726,43 18.054,44 3.624,45 18.106,46 3.663,48 25.5,49 0.664,50 16.922,51 4.625,52 13.101,53 5.223,54 23.638,56 21.78,57 27.365,59 1.641,62 1.211,64 2.883,65 151.248,66 29.235,67 22.088,68 4.879,69 5.542,70 24.473,71 5.1}
{0 CHEMBL1988075,4 18.938,5 1,7 121.17,8 78.333,12 3,13 9.595,14 9.595,15 6.278,16 5,19 3,20 -0.455,22 71.334,24 1.608,25 4,27 0.309,28 3.301,29 106.573,30 0.265,31 12.856,32 0.919,33 4.727,34 34.081,36 0.231,37 4.746,38 4.746,40 7.012,41 7.012,43 18.141,44 4.031,45 19.527,46 3.832,48 25.712,49 0.666,50 16.984,51 4.942,52 13.347,53 5.389,54 23.823,56 21.943,57 27.61,59 1.847,60 1,62 1.312,64 2.947,65 23.756,66 29.515,67 22.493,68 5.165,69 2.912,70 24.978,71 5.1}
{0 CHEMBL1988153,4 13.35,7 89.28,8 120.41,12 6,13 10.592,14 10.592,16 5,18 1,22 59.667,24 1.407,25 10,27 0.897,28 2.191,29 115.499,30 0.5,31 12.601,32 1.202,33 5.352,34 2.104,36 0.946,37 4.598,38 4.598,39 1,40 7.111,41 7.111,42 1,43 18.42,44 3.507,45 18.597,46 3.76,48 25.956,49 0.227,50 17.254,51 4.635,52 13.206,53 5.316,54 24.04,55 2,56 22.131,57 27.877,58 4,59 1.586,61 1,62 1.062,64 2.942,65 137.937,66 29.802,67 22.511,68 4.987,69 5.335,70 24.951,71 5.1}
{0 CHEMBL1988163,4 18.723,5 2,6 1,7 111.28,8 57.628,12 2,13 10.944,14 10.944,15 5.174,16 6,19 1,22 13.252,23 1,25 8,26 1.961,27 0.406,28 2.14,29 109.175,30 0.433,31 12.557,32 1.02,33 4.727,34 13.67,35 2,36 0.372,37 4.805,38 4.805,40 7.116,41 7.116,42 1,43 18.432,44 3.583,45 18.818,46 3.765,48 25.979,49 0.521,50 17.259,51 4.564,52 13.397,53 5.312,54 24.056,55 3,56 22.138,57 27.907,59 1.641,60 2,61 1,62 1.062,63 1,64 2.804,65 61.148,66 29.84,67 22.584,68 5.198,69 0.8,70 25.037,71 5.2}
{0 CHEMBL1988173,4 19.132,7 105.48,11 1.214,13 8.824,14 8.824,17 0.142,20 -0.487,22 20.803,25 2,27 0.406,28 2.125,29 152.169,30 0.373,31 12.551,32 0.946,34 0.285,35 1,36 0.158,37 4.793,38 4.793,40 8.082,41 8.082,43 19.471,44 3.935,45 23.242,46 3.862,48 27.206,49 0.549,50 18.186,51 4.29,52 13.151,53 5.667,54 25.133,56 23.067,57 29.284,59 1.713,61 1,62 1.163,64 3.088,65 22.263,66 31.366,67 24.547,68 4.758,69 4.129,70 27.278,71 6.3}
{0 CHEMBL1988300,3 1,4 6.325,7 121.85,8 111.275,12 4,13 9.474,14 9.474,15 12.041,16 4,19 4,22 55.854,24 1.661,25 5,27 0.17,28 2.979,29 99.365,30 0.128,31 12.758,32 0.877,33 5.416,34 16.989,36 0.082,37 4.725,38 4.725,40 6.972,41 6.972,42 1,43 18.1,44 3.813,45 19.203,46 3.808,47 1,48 25.649,49 0.584,50 16.947,51 4.796,52 13.306,53 5.358,54 23.761,56 21.882,57 27.544,58 1,59 1.735,60 3,61 1,62 1.161,64 2.71,65 12.398,66 29.445,67 22.4,68 5.094,70 24.868,71 5.1}
{0 CHEMBL1988370,4 25.129,5 1,6 1,7 69.2,8 169.675,10 2,12 9,13 9.568,14 9.568,15 6.374,16 12,18 1,19 1,22 42.464,23 2,25 10,26 2.334,27 0.381,28 3.535,29 77.468,30 0.506,31 12.958,32 1.006,33 5.352,34 14.099,36 0.279,37 4.764,38 4.764,39 1,40 7.053,41 7.053,43 18.322,44 4.301,45 19.704,46 3.804,48 25.772,49 1.034,50 17.149,51 5.043,52 13.225,53 5.394,54 23.877,55 2,56 21.992,57 27.675,58 1,59 1.897,60 1,62 1.523,63 1,64 2.968,65 26.037,66 29.585,67 22.618,68 4.945,69 2.302,70 25.116,71 5.1}
{0 CHEMBL1988437,4 7.851,7 95.97,8 63.273,12 1,13 9.959,14 9.959,16 6,20 -0.092,22 53.442,25 5,27 0.237,28 2.697,29 58.593,30 0.162,31 12.474,32 0.963,33 4.727,34 2.757,35 1,36 0.109,37 4.558,38 4.558,40 6.542,41 6.542,42 1,43 17.453,44 3.841,45 17.118,46 3.805,48 25.144,49 0.679,50 16.357,51 4.511,52 13.042,53 5.207,54 23.298,56 21.458,57 26.995,58 1,59 1.735,61 1,62 1.196,64 3.158,65 16.07,66 28.85,67 21.575,68 4.796,69 5.9,70 23.933,71 5.1}
{0 CHEMBL1988537,4 16.56,7 72.36,11 0.86,12 3,13 9.277,14 9.277,16 5,17 0.293,18 1,20 -0.138,22 57.469,25 10,27 0.31,28 3.062,29 92.079,30 0.246,31 12.695,32 0.904,36 0.215,37 4.608,38 4.608,39 1,40 7.057,41 7.057,42 1,43 18.181,44 3.792,45 19.751,46 3.797,48 25.755,49 0.321,50 17.005,51 4.812,52 13.009,53 5.44,54 23.851,55 1,56 21.954,57 27.666,58 2,59 1.543,61 1,62 1.023,64 3.361,65 14.918,66 29.582,67 22.577,68 4.732,69 5.9,70 25.084,71 5.1}
{0 CHEMBL1988594,3 2,4 22.405,7 150.27,8 71.618,9 1,10 1,11 0.247,12 1,13 7.916,14 7.916,15 5.883,16 4,19 1,20 -0.659,22 56.932,23 1,24 1.331,25 3,27 0.384,28 2.228,29 116.758,30 0.298,31 12.508,32 1.097,33 4.727,34 18.375,35 3,36 0.307,37 4.659,38 4.659,40 6.87,41 6.87,42 1,43 17.677,44 3.739,45 18.549,46 3.808,48 25.292,49 0.358,50 16.544,51 4.454,52 13.074,53 5.293,54 23.416,55 1,56 21.55,57 27.176,59 1.654,60 1,61 1,62 1.156,64 3.033,65 23.523,66 29.069,67 21.965,68 4.89,69 2.912,70 24.415,71 5.4}
{0 CHEMBL1988608,4 22.035,7 122.96,8 71.205,11 0.6,13 9.256,14 9.256,16 5,17 0.149,20 -0.232,22 25.74,23 2,25 6,27 0.433,28 1.721,29 160.746,30 0.423,31 12.602,32 0.782,33 4.595,34 2.144,35 2,36 0.215,37 4.677,38 4.677,40 6.951,41 6.951,42 1,43 18.111,44 3.691,45 19.622,46 3.816,48 25.515,49 0.588,50 16.953,51 4.511,52 13.224,53 5.304,54 23.626,56 21.747,57 27.411,59 1.703,61 1,62 1.195,64 2.961,65 22.754,66 29.314,67 22.195,68 4.956,69 3.306,70 24.676,71 5.1}
{0 CHEMBL1988717,4 22.502,5 2,6 1,7 115.16,8 197.356,10 1,11 0.247,12 4,13 11.491,14 11.491,15 6.375,16 7,19 3,20 -0.677,21 1,22 29.76,23 1,25 8,26 1.687,27 0.871,28 2.362,29 153.034,30 1.09,31 12.944,32 0.849,33 5.352,34 16.047,36 1.003,37 4.705,38 4.705,40 7.116,41 7.116,43 18.708,44 3.893,45 19.346,46 3.862,48 26.261,49 0.681,50 17.537,51 4.949,52 13.512,53 5.304,54 24.346,55 1,56 22.437,57 28.181,59 1.814,60 1,62 1.408,64 3.293,65 140.205,66 30.106,67 22.877,68 5.293,69 5.335,70 25.337,71 5.1}
{0 CHEMBL1988995,4 8.106,7 73.52,8 169.927,12 6,13 10.709,14 10.709,16 6,22 37.72,25 13,27 0.872,28 2.069,29 106.202,30 0.698,31 12.971,32 0.961,33 5.82,34 56.219,36 0.43,37 4.761,38 4.761,40 7.053,41 7.053,42 1,43 18.504,44 3.816,45 19.698,46 3.831,47 1,48 26.011,49 0.469,50 17.329,51 5.05,52 13.417,53 5.366,54 24.109,55 5,56 22.213,57 27.919,58 3,59 1.724,61 1,62 1.3,63 2,64 3.089,65 21.096,66 29.831,67 22.828,68 5.207,70 25.317,71 5.1}
{0 CHEMBL1989029,4 15.478,7 71.03,8 90.564,13 9.876,14 9.876,16 7,18 1,20 0.922,21 1,22 17.128,23 1,25 5,27 0.317,28 1.286,29 87.132,30 0.303,31 12.263,32 1.074,33 5.416,34 4.815,36 0.193,37 4.511,38 4.511,39 1,40 6.588,41 6.588,42 1,43 17.477,44 3.266,45 17.288,46 3.41,48 25.099,49 0.385,50 16.361,51 4.19,52 12.755,53 5.15,54 23.238,55 1,56 21.382,57 26.963,58 2,59 1.619,61 1,62 1.072,64 2.64,65 18.001,66 28.829,67 21.59,68 4.46,69 1.72,70 23.961,71 5.1}
{0 CHEMBL1989265,4 24.039,5 1,7 113.86,8 97.303,11 0.8,13 10.173,14 10.173,15 5.927,16 10,17 0.765,20 -1.712,22 68.036,23 2,25 3,27 0.827,28 3.284,29 140.83,30 0.981,31 12.924,32 1.107,33 5.352,34 14.96,36 0.362,37 4.721,38 4.721,40 7.174,41 7.174,42 1,43 18.638,44 3.655,45 20.564,46 3.634,48 26.108,49 0.675,50 17.437,51 4.984,52 13.119,53 5.503,54 24.192,56 22.282,57 28.03,58 1,59 1.71,61 1,62 1.153,63 4,64 3.429,65 52.571,66 29.956,67 22.977,68 4.844,69 6.3,70 25.503,71 5.1}
{0 CHEMBL1989423,4 7.276,7 28.68,8 28.86,13 7.105,14 7.105,16 1,22 14.848,25 2,27 0.073,28 1.129,29 16.663,30 0.016,31 11.977,33 5.416,34 2.757,36 0.032,37 4.545,38 4.545,40 6.753,41 6.753,43 17.474,44 0.514,45 18.088,46 2.931,48 24.923,49 0.104,50 16.317,51 3.871,52 12.369,53 5.222,54 23.035,56 21.151,57 26.816,59 1.123,61 1,62 0.051,64 1.98,65 5.271,66 28.712,67 21.641,68 4.007,69 1.36,70 24.076,71 4.1}
{0 CHEMBL1989474,4 4.79,6 1,7 43.6,8 49.323,13 7.837,14 7.837,16 6,22 21.006,25 3,26 1.718,27 0.233,28 1.314,29 65.194,30 0.21,31 12.167,32 0.873,33 4.727,34 26.731,36 0.162,37 4.53,38 4.53,40 6.72,41 6.72,42 1,43 17.342,44 3.167,45 18.112,46 3.611,48 24.942,49 0.218,50 16.212,51 4.159,52 12.651,53 5.216,54 23.072,55 1,56 21.209,57 26.819,58 2,59 1.402,61 1,62 0.996,63 2,64 2.449,65 11.951,66 28.7,67 21.583,68 4.407,70 24.009,71 5.1}
{0 CHEMBL1989518,3 1,4 5.204,7 61.03,13 6.962,14 6.962,15 5.384,16 4,18 1,22 18.313,25 4,27 0.102,28 0.929,29 77.468,30 0.083,31 11.455,32 0.856,36 0.107,37 4.112,38 4.112,39 1,40 5.607,41 5.607,42 1,43 15.216,44 3.13,45 13.338,46 3.377,48 22.967,49 0.218,50 14.296,51 3.497,52 12.035,53 4.722,54 21.276,56 19.588,57 24.661,59 1.416,61 1,62 0.899,64 2.288,65 16.312,66 26.356,67 18.756,68 3.726,69 1.72,70 20.877,71 5.1}
{0 CHEMBL1989646,4 12.138,5 2,6 1,7 85.41,8 110.563,12 1,13 9.965,14 9.965,15 5.885,16 4,19 2,22 21.035,25 11,26 1.91,27 0.226,28 1.747,29 82.764,30 0.262,31 12.475,32 0.784,33 5.416,34 7.229,36 0.099,37 4.588,38 4.588,40 6.666,41 6.666,42 1,43 17.693,44 3.481,45 17.875,46 3.745,48 25.295,49 0.376,50 16.571,51 4.454,52 13.024,53 5.173,54 23.434,55 1,56 21.578,57 27.16,58 1,59 1.697,60 1,61 1,62 1.115,64 2.73,65 10.879,66 29.029,67 21.756,68 4.808,69 1.043,70 24.142,71 5.1}
{0 CHEMBL1989708,4 22.442,5 2,6 1,7 146.33,8 179.984,12 5,13 9.671,14 9.671,15 6.313,16 4,19 3,20 -0.302,22 64.747,23 1,24 1.599,25 5,26 1.72,27 0.301,28 3.394,29 134.174,30 0.363,31 12.916,32 1.062,33 5.352,34 30.892,36 0.269,37 4.748,38 4.748,40 7.013,41 7.013,43 18.185,44 4.141,45 19.548,46 3.879,48 25.738,49 0.7,50 17.029,51 4.997,52 13.375,53 5.396,54 23.851,56 21.974,57 27.633,59 1.898,60 1,62 1.519,64 2.924,65 31.288,66 29.536,67 22.513,68 5.198,69 2.912,70 24.996,71 5.3}
{0 CHEMBL1989805,3 2,4 17.343,5 1,7 169.42,8 193.871,9 2,10 3,11 1.248,12 4,13 10.506,14 10.506,15 11.738,16 11,17 1.197,19 4,20 -0.626,22 63.898,23 3,25 8,27 0.552,28 2.765,29 166.158,30 0.786,31 12.935,32 0.796,33 5.687,34 34.44,35 2,36 0.362,37 4.748,38 4.748,40 7.26,41 7.26,42 1,43 18.744,44 3.582,45 20.902,46 3.772,48 26.187,49 0.34,50 17.526,51 4.97,52 13.259,53 5.562,54 24.255,55 1,56 22.33,57 28.124,58 3,59 1.587,60 2,61 1,62 1.337,63 2,64 3.703,65 38.23,66 30.068,67 23.177,68 4.82,69 6.301,70 25.734,71 6}
{0 CHEMBL1989834,4 2.157,7 48.91,8 27.489,13 8.082,14 8.082,16 2,21 1,22 11.088,25 2,27 0.059,28 1.245,29 59.346,30 0.118,31 12.114,32 0.507,33 4.727,36 0.066,37 4.66,38 4.66,40 6.879,41 6.879,42 1,43 17.578,44 2.4,45 18.692,46 3.298,48 25.208,49 0.218,50 16.423,51 4.007,52 12.68,53 5.204,54 23.306,56 21.409,57 27.115,59 1.146,61 1,62 0.723,64 2.093,65 8.282,66 29.025,67 21.977,68 4.407,70 24.441,71 4.1}
{0 CHEMBL1989856,4 7.146,7 78.39,8 24.239,13 9.714,14 9.714,16 7,21 1,22 15.56,23 2,25 8,27 0.421,28 1.463,29 115.673,30 0.153,31 12.619,32 0.738,33 4.844,34 2.144,36 0.174,37 4.873,38 4.873,40 7.149,41 7.149,42 1,43 18.477,44 2.675,45 20.462,46 3.301,47 1,48 25.9,49 0.201,50 17.267,51 4.625,52 13.179,53 5.408,54 23.976,55 1,56 22.058,57 27.828,58 2,59 1.439,61 1,62 0.959,63 3,64 3.01,65 22.808,66 29.762,67 22.803,68 4.913,69 4.069,70 25.34,71 5.9}
{0 CHEMBL1989957,4 7.215,7 45.15,12 1,13 8.632,14 8.632,16 2,22 15.951,25 2,27 0.114,28 1.577,29 59.469,30 0.078,31 12.066,32 1.146,34 2.328,35 1,36 0.112,37 4.473,38 4.473,40 6.303,41 6.303,42 1,43 16.756,44 3.318,45 16.092,46 3.466,48 24.438,49 0.35,50 15.69,51 4.22,52 12.602,53 5.053,54 22.63,56 20.826,57 26.25,59 1.489,61 1,62 1.062,64 2.413,65 15.186,66 28.065,67 20.692,68 4.407,69 0.8,70 22.989,71 5.1}
{0 CHEMBL1990212,4 16.71,7 73.57,8 60.73,11 0.4,12 4,13 9.652,14 9.652,16 7,18 2,22 26.301,25 13,27 0.493,28 1.91,29 111.137,30 0.41,31 12.606,32 0.781,33 4.727,34 2.328,35 3,36 0.338,37 4.611,38 4.611,39 2,40 6.718,41 6.718,42 1,43 17.741,44 3.722,45 18.074,46 3.753,48 25.347,49 0.561,50 16.622,51 4.673,52 13.109,53 5.176,54 23.493,55 2,56 21.646,57 27.206,58 1,59 1.559,61 1,62 1.246,63 1,64 2.913,65 19.711,66 29.069,67 21.863,68 4.913,69 1.72,70 24.259,71 5.1}
{0 CHEMBL1990254,3 1,4 8.567,7 68.01,9 1,13 9.036,14 9.036,15 5.811,16 3,19 2,20 -0.129,22 19.553,25 3,27 0.184,28 1.661,29 74.828,30 0.146,31 12.108,32 0.984,35 1,36 0.126,37 4.289,38 4.289,40 6.215,41 6.215,42 1,43 16.752,44 3.564,45 15.711,46 3.685,48 24.638,49 0.281,50 15.714,51 4.111,52 12.61,53 4.977,54 22.833,56 21.03,57 26.446,59 1.71,60 1,61 1,62 1.062,64 2.841,65 18.577,66 28.255,67 20.77,68 4.29,69 2.162,70 23.032,71 5.1}
{0 CHEMBL1990288,4 12.302,7 68.25,8 133.633,12 6,13 8.721,14 8.721,16 3,22 29.64,25 4,27 0.326,28 2.232,29 74.824,30 0.463,31 12.8,32 0.937,33 5.416,34 43.158,35 1,36 0.307,37 4.736,38 4.736,40 7.02,41 7.02,43 18.16,44 3.942,45 19.41,46 3.806,47 1,48 25.671,49 0.626,50 16.993,51 4.89,52 13.217,53 5.351,54 23.778,55 4,56 21.894,57 27.571,58 1,59 1.727,62 1.296,63 1,64 2.908,65 21.241,66 29.479,67 22.5,68 4.956,69 1.315,70 24.994,71 5.1}
{0 CHEMBL1990346,3 1,4 4.806,7 54.7,8 30.515,13 8.119,14 8.119,15 5.917,16 2,19 3,21 1,22 16.471,25 2,27 0.085,28 1.582,29 49.56,30 0.116,31 12.183,32 0.809,33 4.727,36 0.044,37 4.661,38 4.661,40 6.879,41 6.879,42 1,43 17.602,44 2.838,45 18.695,46 3.686,48 25.224,49 0.218,50 16.45,51 4.111,52 12.762,53 5.209,54 23.326,56 21.435,57 27.127,59 1.221,60 1,61 1,62 0.88,64 2.489,65 6.824,66 29.035,67 21.982,68 4.559,70 24.445,71 5.1}
{0 CHEMBL1990415,4 7.52,7 83.56,8 36.604,12 2,13 8.868,14 8.868,16 7,20 -0.221,21 1,22 19.224,23 2,25 7,27 0.314,28 1.545,29 75.379,30 0.185,31 12.408,32 0.782,33 4.727,35 1,36 0.172,37 4.634,38 4.634,40 6.605,41 6.605,42 1,43 17.476,44 3.219,45 17.497,46 3.694,48 25.06,49 0.239,50 16.362,51 4.489,52 12.985,53 5.181,54 23.217,55 1,56 21.378,57 26.908,58 1,59 1.604,61 1,62 1.062,64 2.691,65 14.033,66 28.759,67 21.501,68 4.796,69 2.117,70 23.87,71 5.1}
{0 CHEMBL1990482,1 1,4 2.824,7 84.66,8 31.479,10 1,13 8.908,14 8.908,15 5.325,16 5,19 1,20 -0.478,22 17.692,23 1,25 6,27 0.244,28 1.217,29 91.613,30 0.067,31 12.202,32 1.233,33 4.727,34 2.144,35 2,36 0.135,37 4.621,38 4.621,40 6.694,41 6.694,42 1,43 17.453,44 2.898,45 17.903,46 3.394,47 1,48 25.052,49 0.205,50 16.322,51 4.22,52 12.766,53 5.186,54 23.187,56 21.327,57 26.921,59 1.444,60 1,61 1,62 0.874,63 1,64 2.593,65 20.059,66 28.793,67 21.593,68 4.543,69 1.96,70 23.994,71 5.1}
{0 CHEMBL1990496,3 3,4 16.529,5 1,7 85.83,9 2,11 0.27,12 6,13 9.237,14 9.237,15 6.379,16 6,17 0.204,19 2,20 1.532,22 31.889,23 1,25 6,27 0.43,28 3.025,29 91.613,30 0.48,31 12.841,32 0.962,34 1.899,35 2,36 0.253,37 4.657,38 4.657,40 6.982,41 6.982,43 18.109,44 4.397,45 19.439,46 3.841,48 25.717,49 0.807,50 16.957,51 4.949,52 13.267,53 5.351,54 23.834,55 2,56 21.959,57 27.607,59 1.868,60 1,62 1.377,63 1,64 2.981,65 21.472,66 29.503,67 22.4,68 4.956,69 2.522,70 24.875,71 5.1}
{0 CHEMBL1990583,3 2,4 24.033,7 126.44,8 75.098,9 1,10 1,11 0.247,12 1,13 7.934,14 7.934,15 5.843,16 3,19 1,20 -0.892,22 34.029,23 2,25 4,27 0.629,28 1.74,29 131.596,30 0.423,31 12.555,32 1.044,33 4.727,34 35.479,35 3,36 0.384,37 4.659,38 4.659,40 6.87,41 6.87,42 1,43 17.704,44 3.686,45 18.549,46 3.826,48 25.312,49 0.357,50 16.574,51 4.511,52 13.132,53 5.26,54 23.44,55 1,56 21.579,57 27.193,59 1.721,60 1,61 1,62 1.197,63 1,64 3.033,65 25.846,66 29.083,67 21.974,68 4.987,69 2.912,70 24.422,71 5.1}
{0 CHEMBL1990884,1 1,4 20.28,7 107.17,8 65.079,10 1,12 4,13 10.323,14 10.323,15 11.366,16 3,19 5,20 -0.635,22 46.839,23 1,25 6,27 0.498,28 2.061,29 132.192,30 0.355,31 12.725,32 1.306,33 4.727,34 19.796,36 0.271,37 4.582,38 4.582,40 6.7,41 6.7,42 1,43 17.956,44 3.632,45 18.043,46 3.755,48 25.577,49 0.485,50 16.836,51 4.718,52 13.294,53 5.191,54 23.72,55 1,56 21.869,57 27.438,59 1.612,60 4,61 1,62 1.324,64 3.148,65 32.547,66 29.303,67 22.009,68 5.165,69 1.96,70 24.401,71 5.1}
{0 CHEMBL1990885,4 25.99,7 80.99,8 154.273,11 0.8,12 2,13 10.905,14 10.905,16 4,20 -0.06,22 47.966,23 1,25 3,27 0.334,28 2.045,29 65.25,30 0.404,31 12.673,32 0.956,33 5.533,34 20.474,35 1,36 0.257,37 4.619,38 4.619,40 6.845,41 6.845,42 1,43 18.192,44 3.978,45 18.419,46 3.619,48 25.702,49 0.87,50 17.035,51 4.564,52 13.132,53 5.284,54 23.814,56 21.933,57 27.595,59 1.83,61 1,62 1.575,64 2.996,65 28.708,66 29.493,67 22.35,68 4.924,69 2.117,70 24.79,71 5.1}
{0 CHEMBL1990904,4 9.533,7 68,8 52.977,12 2,13 8.436,14 8.436,16 3,22 31.366,25 4,27 0.329,28 2.051,29 82.102,30 0.286,31 12.732,32 0.975,33 5.861,34 31.387,35 1,36 0.214,37 4.728,38 4.728,40 7.018,41 7.018,42 1,43 18.093,44 3.909,45 19.398,46 3.798,47 1,48 25.59,49 0.768,50 16.925,51 4.828,52 13.118,53 5.346,54 23.693,55 2,56 21.806,57 27.496,58 2,59 1.648,61 1,62 1.11,63 1,64 2.785,65 20.743,66 29.409,67 22.462,68 4.902,69 0.8,70 24.961,71 5.1}
{0 CHEMBL1990912,4 7.215,7 58.04,13 8.632,14 8.632,16 4,22 15.951,25 4,27 0.114,28 1.497,29 76.254,30 0.078,31 12.066,32 0.926,34 2.328,35 1,36 0.12,37 4.473,38 4.473,40 6.303,41 6.303,42 1,43 16.756,44 3.25,45 16.092,46 3.463,48 24.438,49 0.341,50 15.69,51 4.22,52 12.602,53 5.053,54 22.63,56 20.826,57 26.25,59 1.485,61 1,62 0.996,64 2.413,65 16.579,66 28.065,67 20.692,68 4.407,69 0.8,70 22.989,71 5.1}
{0 CHEMBL1991063,3 2,4 13.185,7 76.82,8 73.084,12 1,13 8.979,14 8.979,15 6.226,16 4,18 1,19 2,22 36.402,25 7,27 0.358,28 2.404,29 155.643,30 0.486,31 12.517,32 0.998,33 4.727,34 2.757,36 0.146,37 4.558,38 4.558,39 1,40 6.522,41 6.522,42 1,43 17.406,44 3.824,45 16.757,46 3.807,48 25.044,49 0.733,50 16.324,51 4.533,52 13.085,53 5.151,54 23.225,56 21.412,57 26.869,59 1.771,60 1,61 1,62 1.208,64 2.975,65 18.989,66 28.699,67 21.321,68 4.956,69 1.72,70 23.649,71 5.1}
{0 CHEMBL1991078,4 23.134,6 1,7 106.95,8 175.842,11 0.86,12 8,13 9.358,14 9.358,16 7,17 0.522,18 2,20 -0.3,21 1,22 36.656,23 1,25 15,26 1.796,27 0.473,28 2.422,29 97.011,30 0.594,31 12.781,32 0.919,33 5.352,34 11.771,35 1,36 0.37,37 4.578,38 4.578,39 2,40 6.578,41 6.578,43 17.706,44 3.957,45 17.301,46 3.885,48 25.342,49 0.586,50 16.614,51 4.86,52 13.288,53 5.16,54 23.513,55 1,56 21.69,57 27.175,58 2,59 1.756,61 1,62 1.523,64 3.113,65 25.971,66 29.011,67 21.703,68 5.085,69 2.117,70 24.043,71 5.1}
{0 CHEMBL1991138,4 23.655,5 1,7 68.68,8 169.675,10 1,12 8,13 9.568,14 9.568,15 6.366,16 9,18 1,19 1,22 42.219,23 1,25 13,27 0.421,28 3.483,29 77.468,30 0.383,31 12.958,32 1.017,33 5.352,34 16.243,36 0.239,37 4.764,38 4.764,39 1,40 7.053,41 7.053,43 18.322,44 4.313,45 19.704,46 3.804,47 1,48 25.772,49 1.038,50 17.149,51 5.043,52 13.225,53 5.375,54 23.877,55 1,56 21.992,57 27.675,58 3,59 1.916,62 1.473,63 1,64 2.972,65 24.586,66 29.585,67 22.618,68 4.945,69 2.302,70 25.116,71 5.1}
{0 CHEMBL1991143,4 20.52,6 1,7 60.05,8 38.022,12 1,13 10.027,14 10.027,16 10,20 -0.191,21 1,22 28.789,23 1,25 8,26 1.583,27 0.508,28 2.291,29 123.762,30 0.362,31 12.868,32 0.842,33 4.844,35 1,36 0.144,37 4.767,38 4.767,40 7.219,41 7.219,42 1,43 18.655,44 3.624,45 20.721,46 3.736,48 26.064,49 0.476,50 17.441,51 4.92,52 13.188,53 5.471,54 24.138,55 1,56 22.219,57 27.997,59 1.614,61 1,62 1.078,63 3,64 3.128,65 13.893,66 29.935,67 23.011,68 4.945,69 3.225,70 25.562,71 5.1}
{0 CHEMBL1991180,4 23.907,5 2,6 1,7 186.8,8 165.276,9 1,10 1,11 0.782,12 10,13 9.685,14 9.685,15 5.657,16 2,20 -0.391,22 25.409,23 4,25 1,26 1.054,27 1.037,28 1.276,29 253.429,30 1.074,31 12.569,32 1.017,33 5.352,34 7.413,35 3,36 0.614,37 4.607,38 4.607,39 1,40 6.931,41 6.931,42 1,43 17.994,44 3.536,45 19.061,46 3.664,48 25.661,49 0.498,50 16.85,51 4.454,52 13.114,53 5.274,54 23.772,55 3,56 21.89,57 27.554,58 5,59 1.666,61 1,62 1.328,63 8,64 3.113,65 42.453,66 29.452,67 22.328,68 4.89,69 2.302,70 24.782,71 5.1}
{0 CHEMBL1991188,4 18.962,7 60.45,11 0.86,12 3,13 9.648,14 9.648,16 6,17 0.473,18 2,20 -0.283,22 37.055,23 1,25 6,27 0.439,28 1.915,29 78.89,30 0.498,31 12.431,32 0.925,34 14.96,35 1,36 0.309,37 4.455,38 4.455,39 2,40 6.539,41 6.539,42 1,43 17.432,44 3.843,45 17.204,46 3.723,48 25.211,49 0.571,50 16.344,51 4.407,52 12.941,53 5.117,54 23.372,56 21.537,57 27.055,59 1.685,61 1,62 1.331,63 1,64 3.094,65 30.449,66 28.901,67 21.539,68 4.732,69 2.162,70 23.885,71 5.1}
{0 CHEMBL1991285,4 25.707,7 137.23,8 89.72,11 1.656,12 8,13 8.556,14 8.556,16 3,17 0.86,18 1,20 -1.352,22 37.153,23 1,25 6,27 0.977,28 2.111,29 207.752,30 0.568,31 12.384,32 1.02,33 4.595,34 6.604,35 2,36 0.49,37 4.373,38 4.373,39 1,40 6.287,41 6.287,42 1,43 17.055,44 3.959,45 16.261,46 3.799,48 24.708,49 0.618,50 16.005,51 4.382,52 12.906,53 5.046,54 22.928,56 21.152,57 26.494,58 1,59 1.8,61 1,62 1.299,63 2,64 3.576,65 66.771,66 28.284,67 20.766,68 4.771,69 4.376,70 23.042,71 5.1}
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{0 CHEMBL1993781,3 2,4 11.483,7 70.26,12 3,13 6.976,14 6.976,15 6.068,16 5,18 1,22 28.577,25 6,27 0.422,28 1.571,29 88.468,30 0.25,31 11.882,32 1.013,36 0.182,37 4.113,38 4.113,39 2,40 5.611,41 5.611,42 1,43 15.541,44 3.778,45 13.364,46 3.761,48 23.34,49 0.62,50 14.642,51 3.932,52 12.404,53 4.765,54 21.66,56 19.984,57 25.023,59 1.823,61 1,62 1.177,63 1,64 2.575,65 24.772,66 26.708,67 19.051,68 4.111,69 2.302,70 21.154,71 5.1}
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{0 CHEMBL1993941,4 21.256,5 2,6 1,7 126.1,8 173.227,12 5,13 9.667,14 9.667,15 6.301,16 5,19 3,20 -0.453,22 73.217,24 1.617,25 6,26 1.933,27 0.365,28 3.308,29 106.451,30 0.342,31 12.894,32 1.007,33 5.352,34 45.852,36 0.271,37 4.748,38 4.748,40 7.013,41 7.013,43 18.176,44 4.095,45 19.548,46 3.875,48 25.731,49 0.701,50 17.019,51 4.977,52 13.36,53 5.396,54 23.843,56 21.964,57 27.627,59 1.895,60 1,62 1.512,64 2.947,65 27.383,66 29.531,67 22.51,68 5.165,69 2.912,70 24.993,71 5.1}
{0 CHEMBL1994040,4 16.265,7 88.23,8 67.127,12 3,13 9.963,14 9.963,16 4,22 45.778,25 6,27 0.885,28 2.592,29 139.746,30 0.54,31 12.994,32 1.032,33 5.861,34 46.347,35 3,36 0.299,37 4.779,38 4.779,40 7.09,41 7.09,42 1,43 18.608,44 4.282,45 19.943,46 3.79,47 1,48 26.034,49 0.825,50 17.438,51 5.094,52 13.412,53 5.396,54 24.139,55 2,56 22.251,57 27.936,58 2,59 1.837,61 1,62 1.376,63 1,64 3.15,65 34.482,66 29.844,67 22.869,68 5.223,69 0.8,70 25.358,71 5.1}
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{0 CHEMBL1994241,4 10.044,7 81.93,8 48.484,12 2,13 9.367,14 9.367,16 4,18 1,20 0.384,22 21.286,23 1,25 6,27 0.363,28 1.779,29 101.528,30 0.326,31 12.357,32 1.026,33 4.727,34 2.144,36 0.18,37 4.529,38 4.529,39 1,40 6.392,41 6.392,42 1,43 17.374,44 3.475,45 16.688,46 3.811,47 1,48 24.969,49 0.31,50 16.282,51 4.357,52 13.017,53 5.053,54 23.15,56 21.334,57 26.791,59 1.5,61 1,62 1.103,63 1,64 3.026,65 15.642,66 28.615,67 21.236,68 4.796,69 4.069,70 23.556,71 5.1}
{0 CHEMBL1994321,4 23.906,7 162.83,8 85.246,11 0.247,12 3,13 9.951,14 9.951,15 6.19,16 2,19 3,20 -0.327,22 61.562,24 1.489,25 2,27 0.324,28 3.09,29 119.141,30 0.322,31 12.75,32 0.956,33 4.727,34 53.182,36 0.474,37 4.732,38 4.732,40 6.972,41 6.972,43 18.28,44 4.085,45 19.202,46 3.884,48 25.752,49 0.69,50 17.132,51 4.779,52 13.571,53 5.358,54 23.87,55 1,56 21.996,57 27.641,59 1.878,60 1,62 1.404,64 3.364,65 63.994,66 29.536,67 22.488,68 5.394,69 2.912,70 24.941,71 5.1}
{0 CHEMBL1994361,3 2,4 14.673,5 1,7 107.02,8 90.191,10 1,12 4,13 10.301,14 10.301,15 12.406,16 4,18 1,19 3,20 -0.476,22 50.027,23 1,25 6,27 0.583,28 2.853,29 133.685,30 0.509,31 12.806,32 0.986,33 4.727,34 28.875,36 0.128,37 4.527,38 4.527,39 1,40 6.699,41 6.699,43 17.911,44 4.174,45 18.015,46 3.848,48 25.611,49 0.847,50 16.804,51 4.804,52 13.338,53 5.219,54 23.756,56 21.906,57 27.471,59 1.893,60 3,62 1.319,64 3.019,65 25.371,66 29.335,67 22.042,68 5.121,69 1.72,70 24.424,71 5.1}
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{0 CHEMBL1994693,4 20.593,7 121.17,8 41.574,10 1,12 1,13 9.348,14 9.348,15 6.141,16 3,19 2,20 -0.263,22 62.269,23 1,24 1.683,25 2,27 0.177,28 3.604,29 91.613,30 0.276,31 12.829,32 0.735,33 4.844,34 7.962,36 0.231,37 4.774,38 4.774,40 7.107,41 7.107,42 1,43 18.319,44 3.677,45 19.834,46 3.806,48 25.778,49 0.486,50 17.132,51 4.934,52 13.215,53 5.461,54 23.866,55 1,56 21.965,57 27.697,59 1.694,60 1,61 1,62 1.175,64 2.917,65 22.01,66 29.623,67 22.716,68 4.997,69 2.912,70 25.238,71 5.1}
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{0 CHEMBL1994864,4 17.621,7 78.07,12 2,13 7.176,14 7.176,16 5,20 0.199,22 16.747,23 2,25 2,27 0.306,28 1.334,29 135.723,30 0.337,31 12.254,32 0.84,36 0.086,37 4.674,38 4.674,40 6.95,41 6.95,42 1,43 17.94,44 3.382,45 19.621,46 3.711,48 25.307,49 0.405,50 16.766,51 4.06,52 12.883,53 5.29,54 23.4,56 21.502,57 27.222,59 1.503,61 1,62 1.062,63 1,64 2.667,65 14.145,66 29.142,67 22.063,68 4.494,69 1.59,70 24.57,71 5.1}
{0 CHEMBL1994938,2 1,3 1,4 15.488,6 1,7 114.07,8 165.413,12 3,13 8.749,14 8.749,15 6.191,16 4,19 3,20 -0.129,22 60.987,23 1,24 1.602,25 3,26 1.985,27 0.308,28 3.035,29 91.613,30 0.2,31 12.594,32 0.94,33 5.283,34 26.616,36 0.223,37 4.725,38 4.725,40 6.972,41 6.972,43 17.926,44 3.908,45 19.203,46 3.866,47 1,48 25.497,49 0.668,50 16.765,51 4.625,52 13.129,53 5.357,54 23.602,55 1,56 21.717,57 27.399,58 2,59 1.731,60 1,62 1.351,64 2.9,65 21.718,66 29.308,67 22.29,68 4.902,69 2.117,70 24.774,71 5.1}
{0 CHEMBL1994968,4 9.46,7 59.29,8 56.761,12 7,13 9.419,14 9.419,16 7,20 -0.177,22 27.21,23 3,25 4,27 0.41,28 1.989,29 58.593,30 0.173,31 12.592,32 1.201,33 4.727,34 2.757,36 0.153,37 4.678,38 4.678,40 6.867,41 6.867,42 1,43 17.939,44 3.667,45 18.958,46 3.77,48 25.602,49 0.619,50 16.8,51 4.575,52 13.146,53 5.275,54 23.723,55 1,56 21.848,57 27.486,59 1.736,61 1,62 1.354,63 3,64 3.102,65 15.501,66 29.374,67 22.201,68 4.902,69 2.162,70 24.64,71 5.1}
{0 CHEMBL1995172,4 8.92,7 28.68,8 33.554,13 7.3,14 7.3,16 2,22 17.903,25 3,27 0.087,28 1.577,29 16.663,30 0.039,31 12.084,33 5.416,34 11.771,36 0.031,37 4.562,38 4.562,40 6.763,41 6.763,43 17.547,44 1.172,45 18.137,46 3.522,48 24.961,49 0.074,50 16.389,51 4.025,52 12.482,53 5.233,54 23.076,56 21.198,57 26.851,59 1.092,61 1,62 0.104,64 2.278,65 4.149,66 28.745,67 21.681,68 4.227,69 1.36,70 24.12,71 4.3}
{0 CHEMBL199528,4 6.555,7 77.23,8 98.951,12 3,13 9.346,14 9.346,16 3,20 0.079,22 53.348,24 1.449,25 7,27 0.25,28 2.248,29 41.808,30 0.203,31 12.387,32 1.206,33 5.416,34 4.115,36 0.163,37 4.657,38 4.657,40 6.754,41 6.754,42 1,43 17.723,44 3.484,45 18.265,46 3.605,48 25.277,49 0.607,50 16.581,51 4.407,52 12.862,53 5.333,54 23.406,55 1,56 21.539,57 27.152,59 1.619,61 1,62 1.282,64 2.519,65 12.838,66 29.031,67 21.839,68 4.605,69 2.293,70 24.258,71 4.699}
{0 CHEMBL1995391,4 12.649,7 66.73,8 25.939,9 1,13 6.481,14 6.481,15 5.713,16 2,21 1,22 9.802,25 2,27 0.143,28 0.915,29 49.56,30 0.049,31 11.795,32 0.798,33 4.727,35 1,36 0.081,37 4.55,38 4.55,40 6.549,41 6.549,42 1,43 16.959,44 2.571,45 17.087,46 3.296,48 24.52,49 0.153,50 15.844,51 3.689,52 12.4,53 5.067,54 22.665,56 20.817,57 26.38,59 1.339,60 2,61 1,62 0.861,64 2.233,65 11.502,66 28.244,67 21.042,68 4.311,69 0.8,70 23.422,71 4.7}
{0 CHEMBL1995448,3 1,4 17.853,7 99.08,13 7.241,14 7.241,15 10.89,16 4,18 1,19 1,22 18.925,23 2,25 1,27 0.263,28 0.901,29 110.365,30 0.203,31 11.598,32 0.871,34 4.227,36 0.208,37 4.141,38 4.141,39 1,40 5.71,41 5.71,42 1,43 15.602,44 3.074,45 13.874,46 3.366,48 23.216,49 0.172,50 14.64,51 3.664,52 12.124,53 4.799,54 21.513,55 1,56 19.814,57 24.923,58 1,59 1.353,61 1,62 0.942,64 2.401,65 23.39,66 26.632,67 19.107,68 4.007,69 1.72,70 21.282,71 5.1}
{0 CHEMBL1995592,3 3,4 24.808,7 120.05,10 4,13 10.041,14 10.041,15 11.752,16 9,19 2,20 -0.295,22 30.259,23 4,25 5,27 0.61,28 2.373,29 206.342,30 0.495,31 12.926,32 0.881,34 6.555,35 1,36 0.24,37 4.727,38 4.727,40 7.206,41 7.206,42 1,43 18.605,44 3.933,45 20.718,46 3.793,48 26.078,49 0.248,50 17.4,51 5.069,52 13.227,53 5.474,54 24.156,55 2,56 22.241,57 28.008,59 1.427,61 1,62 1.19,63 4,64 2.962,65 23.072,66 29.943,67 23.027,68 5.037,69 1.2,70 25.575,71 5.1}
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{0 CHEMBL1995740,4 24.991,7 123.93,11 0.86,12 6,13 9.394,14 9.394,16 4,17 0.4,18 1,20 -0.364,22 30.532,23 2,25 8,27 0.691,28 2.172,29 129.575,30 0.646,31 12.679,32 1.061,33 2.708,35 3,36 0.404,37 4.49,38 4.49,39 1,40 6.545,41 6.545,42 1,43 17.667,44 3.665,45 17.214,46 3.753,48 25.34,49 0.336,50 16.569,51 4.868,52 13.192,53 5.147,54 23.511,55 1,56 21.687,57 27.171,58 1,59 1.711,61 1,62 1.17,64 3.153,65 53.259,66 29.005,67 21.636,68 5.066,69 4.612,70 23.973,71 5.3}
{0 CHEMBL1995813,3 1,4 10.605,7 92.51,8 44.209,9 2,12 1,13 8.782,14 8.782,15 6.203,16 5,19 1,22 22.268,23 1,25 3,27 0.298,28 2.22,29 83.254,30 0.195,31 12.387,32 1.111,33 4.727,34 13.67,35 2,36 0.185,37 4.594,38 4.594,40 6.71,41 6.71,42 1,43 17.475,44 3.558,45 18.066,46 3.666,48 25.128,49 0.77,50 16.362,51 4.407,52 12.789,53 5.207,54 23.27,55 1,56 21.419,57 26.991,59 1.627,60 2,61 1,62 1.163,64 2.601,65 19.528,66 28.858,67 21.661,68 4.543,69 0.8,70 24.061,71 5.1}
{0 CHEMBL1995832,4 16.552,7 97.46,8 65.362,12 2,13 10.767,14 10.767,16 3,18 1,22 40.233,25 3,27 1.244,28 2.189,29 150.746,30 0.802,31 12.912,32 1.016,33 4.844,34 51.162,35 1,36 0.522,37 4.778,38 4.778,39 1,40 7.089,41 7.089,42 1,43 18.657,44 4.13,45 19.925,46 3.775,47 1,48 26.12,49 0.578,50 17.48,51 5.017,52 13.382,53 5.391,54 24.215,55 3,56 22.314,57 28.031,58 3,59 1.859,61 1,62 1.343,63 1,64 3.153,65 46.38,66 29.947,67 22.961,68 5.156,69 1.72,70 25.448,71 5.1}
{0 CHEMBL1995927,4 18.446,7 59.07,11 0.4,12 1,13 8.768,14 8.768,16 3,18 1,22 21.9,25 4,27 0.28,28 1.334,29 83.72,30 0.246,31 12.118,32 0.887,34 4.656,36 0.222,37 4.548,38 4.548,39 1,40 6.422,41 6.422,42 1,43 17.148,44 3.431,45 16.871,46 3.327,48 24.719,49 0.476,50 16.044,51 4.22,52 12.649,53 5.12,54 22.897,56 21.079,57 26.544,59 1.569,61 1,62 0.997,63 1,64 2.463,65 17.997,66 28.372,67 21.03,68 4.559,69 1.72,70 23.369,71 5.1}
{0 CHEMBL1996066,3 2,4 10.767,5 1,6 1,7 108.76,8 98.824,10 1,12 2,13 9.197,14 9.197,15 6.06,16 6,19 3,22 47.094,23 1,24 1.494,25 8,26 1.785,27 0.195,28 2.171,29 97.528,30 0.134,31 12.575,32 0.989,33 5.416,34 13.915,36 0.141,37 4.702,38 4.702,40 6.921,41 6.921,42 1,43 17.956,44 3.336,45 18.856,46 3.765,47 1,48 25.468,49 0.218,50 16.798,51 4.625,52 13.103,53 5.34,54 23.58,55 2,56 21.7,57 27.363,58 1,59 1.418,61 1,62 1.062,63 1,64 2.877,65 8.94,66 29.262,67 22.217,68 4.808,69 4.069,70 24.679,71 5.1}
{0 CHEMBL1996111,4 13.355,6 1,7 79.7,8 131.326,11 0.293,12 1,13 9.304,14 9.304,16 3,20 -0.131,22 23.412,25 9,26 1.659,27 0.484,28 1.913,29 75.011,30 0.337,31 12.607,32 0.906,33 5.352,34 4.901,36 0.222,37 4.613,38 4.613,40 6.936,41 6.936,42 1,43 17.931,44 3.875,45 18.961,46 3.763,48 25.547,49 0.496,50 16.784,51 4.625,52 13.087,53 5.259,54 23.661,55 2,56 21.783,57 27.439,58 1,59 1.649,61 1,62 1.239,63 4,64 2.904,65 13.683,66 29.337,67 22.244,68 4.844,69 2.293,70 24.705,71 5.1}
{0 CHEMBL1996155,4 17.429,7 38.25,12 1,13 7.753,14 7.753,16 5,18 1,22 25.916,25 5,27 0.166,28 1.426,29 44.571,30 0.108,31 11.866,32 0.751,36 0.169,37 4.083,38 4.083,39 1,40 6.083,41 6.083,42 1,43 16.261,44 3.523,45 14.929,46 3.726,48 23.945,49 0.622,50 15.262,51 3.784,52 12.235,53 4.88,54 22.185,56 20.431,57 25.709,58 1,59 1.529,61 1,62 1.062,64 2.729,65 16.713,66 27.477,67 19.871,68 3.98,69 1.72,70 22.081,71 5.1}
{0 CHEMBL1996208,4 22.743,7 98.42,9 3,11 0.8,12 2,13 7.377,14 7.377,15 5.488,16 7,18 1,22 32.321,23 3,25 1,27 0.462,28 1.501,29 105.131,30 0.59,31 11.996,32 0.836,34 9.042,35 3,36 0.452,37 4.264,38 4.264,39 2,40 6.209,41 6.209,42 1,43 16.396,44 3.469,45 15.618,46 3.562,48 24.09,49 0.751,50 15.366,51 4.078,52 12.325,53 4.977,54 22.312,55 4,56 20.541,57 25.873,58 2,59 1.615,60 1,61 1,62 1.112,63 3,64 2.698,65 29.439,66 27.662,67 20.268,68 4.111,69 1.72,70 22.54,71 5.1}
{0 CHEMBL1996234,3 2,4 11.248,5 1,7 89.33,8 63.425,10 1,12 6,13 11.435,14 11.435,15 6.296,16 7,19 1,22 28.471,23 1,25 12,27 0.338,28 3.091,29 125.937,30 0.249,31 13.102,32 1.027,33 4.844,34 16.243,35 2,36 0.111,37 4.774,38 4.774,40 7.082,41 7.082,42 1,43 18.952,44 4.213,45 19.838,46 3.789,47 1,48 26.244,49 0.695,50 17.758,51 5.17,52 13.527,53 5.457,54 24.338,55 1,56 22.438,57 28.154,58 1,59 1.926,61 1,62 1.305,63 1,64 3.012,65 19.898,66 30.069,67 23.104,68 5.263,70 25.591,71 5.1}
{0 CHEMBL1996390,4 2.278,7 78.43,8 32.413,12 1,13 8.541,14 8.541,16 1,20 -0.893,22 43.236,24 1.252,25 5,27 0.126,28 1.899,29 84.614,30 0.137,31 12.211,32 1.033,33 4.727,34 2.104,36 0.154,37 4.626,38 4.626,40 6.727,41 6.727,42 1,43 17.474,44 2.795,45 18.194,46 3.446,48 25.064,49 0.218,50 16.339,51 4.248,52 12.766,53 5.26,54 23.195,56 21.333,57 26.937,58 1,59 1.148,61 1,62 0.854,64 2.527,65 28.455,66 28.814,67 21.659,68 4.543,69 2.873,70 24.078,71 5.1}
{0 CHEMBL1996500,4 15.053,7 88.23,8 59.977,12 2,13 9.963,14 9.963,16 4,22 38.175,25 5,27 0.92,28 2.146,29 139.746,30 0.589,31 12.861,32 1.013,33 4.844,34 46.347,35 3,36 0.341,37 4.774,38 4.774,40 7.084,41 7.084,42 1,43 18.554,44 4.082,45 19.882,46 3.769,47 1,48 25.985,49 0.605,50 17.381,51 4.963,52 13.352,53 5.389,54 24.086,55 2,56 22.193,57 27.891,58 2,59 1.836,61 1,62 1.303,63 1,64 3.132,65 31.056,66 29.801,67 22.821,68 5.156,69 0.8,70 25.312,71 5.1}
{0 CHEMBL1996543,3 2,4 10.219,7 63.93,8 63.669,12 1,13 9.19,14 9.19,15 6.269,16 2,18 1,19 1,22 35.765,25 4,27 0.272,28 2.105,29 75.643,30 0.357,31 12.391,32 0.959,33 4.727,34 28.875,36 0.099,37 4.527,38 4.527,39 1,40 6.533,41 6.533,42 1,43 17.239,44 3.664,45 17.025,46 3.693,48 24.914,49 0.686,50 16.158,51 4.407,52 12.935,53 5.123,54 23.084,56 21.261,57 26.75,59 1.809,60 1,61 1,62 1.169,64 2.889,65 20.537,66 28.591,67 21.305,68 4.745,69 1.72,70 23.647,71 5.1}
{0 CHEMBL199657,1 1,3 1,4 14.371,7 129.11,8 97.679,9 1,12 4,13 8.762,14 8.762,15 5.387,16 3,19 1,20 -0.978,22 57.135,23 2,24 1.135,25 4,27 0.441,28 2.159,29 138.999,30 0.46,31 12.502,32 1.075,33 5.476,34 4.115,35 1,36 0.255,37 4.74,38 4.74,40 6.977,41 6.977,42 1,43 18.078,44 3.48,45 19.161,46 3.532,48 25.554,49 0.253,50 16.905,51 4.431,52 13.057,53 5.418,54 23.657,56 21.768,57 27.457,58 2,59 1.578,60 1,61 1,62 1.012,64 3.162,65 30.829,66 29.365,67 22.329,68 4.89,69 2.117,70 24.81,71 4}
{0 CHEMBL199658,1 1,3 2,4 14.371,7 129.11,8 98.995,9 1,13 8.661,14 8.661,15 5.387,16 3,19 1,20 -0.951,22 57.135,23 2,24 1.14,25 4,27 0.45,28 2.176,29 138.999,30 0.469,31 12.497,32 1.106,33 5.476,34 4.115,35 1,36 0.255,37 4.74,38 4.74,40 6.977,41 6.977,42 1,43 18.07,44 3.464,45 19.161,46 3.534,48 25.548,49 0.218,50 16.896,51 4.454,52 13.055,53 5.418,54 23.652,56 21.763,57 27.451,58 2,59 1.577,60 1,61 1,62 1.062,64 3.161,65 30.718,66 29.359,67 22.323,68 4.89,69 2.117,70 24.804,71 4}
{0 CHEMBL1996587,4 15.462,6 1,7 81.13,8 186.255,12 4,13 12.156,14 12.156,16 9,22 43.244,23 2,25 14,26 2.035,27 1.161,28 2.51,29 139.378,30 0.734,31 13.071,32 0.977,33 5.82,34 32.677,35 2,36 0.343,37 4.746,38 4.746,40 7.422,41 7.422,42 1,43 19.145,44 4.088,45 20.845,46 3.796,47 1,48 26.641,49 0.822,50 17.931,51 5.112,52 13.505,53 5.496,54 24.685,55 3,56 22.735,57 28.603,58 2,59 1.748,61 1,62 1.338,63 2,64 3.14,65 35.809,66 30.569,67 23.559,68 5.231,70 26.107,71 5.1}
{0 CHEMBL1996780,4 19.644,7 81.42,12 7,13 9.789,14 9.789,16 12,20 -1.071,22 38.359,25 7,27 0.657,28 2.421,29 120.759,30 0.457,31 12.821,32 1.059,34 11.771,35 1,36 0.257,37 4.625,38 4.625,39 1,40 6.951,41 6.951,42 1,43 18.192,44 4.149,45 19.46,46 3.747,48 25.785,49 0.639,50 17.034,51 4.963,52 13.193,53 5.336,54 23.901,55 1,56 22.023,57 27.674,59 1.76,61 1,62 1.229,63 5,64 3.239,65 29.048,66 29.568,67 22.436,68 4.924,69 3.349,70 24.9,71 5.1}
{0 CHEMBL1996791,4 13.404,6 1,7 89.85,8 32.362,10 3,13 8.799,14 8.799,15 5.873,16 7,19 1,22 17.985,23 3,25 5,26 1.945,27 0.436,28 2.335,29 125.815,30 0.203,31 12.329,32 0.84,33 4.844,34 3.559,35 1,36 0.182,37 4.716,38 4.716,40 6.957,41 6.957,42 1,43 17.92,44 3.181,45 19.137,46 3.685,48 25.431,49 0.178,50 16.746,51 4.277,52 12.738,53 5.299,54 23.526,55 2,56 21.628,57 27.342,59 1.376,61 1,62 1.002,63 2,64 2.52,65 20.228,66 29.257,67 22.23,68 4.543,70 24.712,71 5.1}
{0 CHEMBL1996817,4 5.392,7 50.8,8 37.852,13 8.098,14 8.098,16 4,18 1,22 25.135,23 2,25 4,27 0.282,28 1.421,29 44.571,30 0.179,31 12.244,32 1.013,33 4.727,34 16.586,36 0.202,37 4.674,38 4.674,39 1,40 6.908,41 6.908,42 1,43 17.661,44 3.418,45 18.811,46 3.495,48 25.266,49 0.593,50 16.5,51 4.29,52 12.713,53 5.295,54 23.361,55 2,56 21.463,57 27.175,59 1.626,61 1,62 1.062,63 1,64 2.353,65 17.821,66 29.089,67 22.091,68 4.407,69 1.72,70 24.566,71 5.1}
{0 CHEMBL1996831,4 12.324,7 50.19,8 71.707,13 10.089,14 10.089,16 5,20 2.006,22 36.333,25 8,27 0.118,28 2.369,29 84.614,30 0.108,31 12.651,32 1.052,33 5.283,35 1,36 0.142,37 4.738,38 4.738,40 7.042,41 7.042,42 1,43 18.236,44 3.426,45 19.783,46 3.515,48 25.769,49 0.67,50 17.053,51 4.718,52 13.037,53 5.381,54 23.858,56 21.953,57 27.684,59 1.67,61 1,62 1.053,64 2.931,65 29.64,66 29.603,67 22.611,68 4.771,69 2.873,70 25.109,71 6.6}
{0 CHEMBL1996837,1 1,4 11.574,6 1,7 115.17,8 53.412,9 1,10 3,13 8.6,14 8.6,15 11.01,16 4,19 2,20 -0.483,21 1,22 45.744,23 3,24 1.28,25 3,26 1.706,27 0.225,28 1.544,29 107.602,30 0.272,31 12.207,33 5.533,34 1.358,35 1,36 0.179,37 4.78,38 4.78,40 7.01,41 7.01,42 1,43 18.132,44 1.846,45 19.358,46 3.165,48 25.516,50 16.935,51 3.912,52 12.831,53 5.437,54 23.601,56 21.693,57 27.435,58 1,59 1.379,60 2,61 1,62 0.771,64 2.388,65 23.048,66 29.359,67 22.312,68 4.677,69 1.96,70 24.809,71 4.1}
{0 CHEMBL1996923,4 2.167,7 41.57,8 18.438,13 7.348,14 7.348,16 2,22 11.289,25 2,27 0.214,28 0.742,29 111.623,31 11.543,33 4.595,36 0.168,37 4.48,38 4.48,40 6.282,41 6.282,43 16.578,45 16.197,46 3.405,48 24.15,50 15.493,51 3.332,52 12.303,53 4.954,54 22.339,55 1,56 20.532,57 25.963,59 0.923,64 2.19,65 9.91,66 27.779,67 20.318,68 4.227,70 22.628,71 5.1}
{0 CHEMBL1996931,4 10.237,7 62.22,12 1,13 8.608,14 8.608,16 3,20 -0.209,22 23.482,25 3,27 0.269,28 1.963,29 123.762,30 0.293,31 12.145,32 0.912,35 1,36 0.139,37 4.285,38 4.285,40 6.169,41 6.169,42 1,43 16.585,44 3.665,45 15.407,46 3.706,48 24.416,49 0.464,50 15.568,51 4.174,52 12.667,53 4.957,54 22.636,56 20.861,57 26.2,59 1.744,61 1,62 1.062,64 2.845,65 25.068,66 27.988,67 20.459,68 4.46,69 2.117,70 22.7,71 5.1}
{0 CHEMBL1996979,4 10.775,7 57.78,8 57.713,12 2,13 10.596,14 10.596,16 2,20 -0.862,22 39.548,25 2,27 0.897,28 1.8,29 71.851,30 0.523,31 12.567,32 0.924,33 4.727,34 41.691,36 0.22,37 4.611,38 4.611,40 6.72,41 6.72,42 1,43 17.855,44 3.514,45 18.076,46 3.753,48 25.529,49 0.378,50 16.725,51 4.554,52 13.119,53 5.212,54 23.65,56 21.777,57 27.412,59 1.644,61 1,62 1.074,64 3.018,65 20.649,66 29.299,67 22.105,68 4.902,69 2.117,70 24.519,71 5.7}
{0 CHEMBL1997023,4 13.524,7 110.77,8 41.339,11 0.8,13 8.562,14 8.562,16 2,20 -2.566,22 45.499,24 1.347,25 3,27 0.385,28 1.457,29 107.949,30 0.504,31 12.063,32 0.434,33 4.595,34 0.746,35 1,36 0.348,37 4.525,38 4.525,40 6.522,41 6.522,42 1,43 17.185,44 2.878,45 17.077,46 3.483,48 24.835,49 0.344,50 16.081,51 4.078,52 12.683,53 5.116,54 23.001,56 21.172,57 26.673,58 1,59 1.345,61 1,62 0.814,64 2.882,65 41.218,66 28.513,67 21.151,68 4.59,69 2.873,70 23.501,71 5.1}
{0 CHEMBL1997025,1 1,3 2,4 13.796,7 83.8,8 50.029,10 1,12 1,13 9.857,14 9.857,15 5.387,16 3,19 1,20 -0.552,22 39.279,23 1,25 4,27 0.478,28 2.413,29 89.788,30 0.227,31 12.59,32 0.996,33 4.727,34 17.104,35 1,36 0.169,37 4.635,38 4.635,40 6.715,41 6.715,42 1,43 17.809,44 3.494,45 18.014,46 3.615,47 1,48 25.441,49 0.579,50 16.683,51 4.654,52 13.039,53 5.21,54 23.579,56 21.721,57 27.307,59 1.621,60 1,61 1,62 1.269,63 1,64 3.012,65 29.289,66 29.176,67 21.944,68 4.844,69 1.96,70 24.338,71 5.1}
{0 CHEMBL1997129,4 7.745,7 57.78,8 46.979,12 1,13 8.784,14 8.784,16 4,20 -0.003,22 27.172,23 1,25 3,27 0.242,28 1.969,29 41.93,30 0.124,31 12.361,32 0.958,33 4.727,34 5.513,35 1,36 0.103,37 4.494,38 4.494,40 6.557,41 6.557,42 1,43 17.306,44 3.596,45 17.208,46 3.73,48 24.877,49 0.533,50 16.203,51 4.431,52 12.823,53 5.157,54 23.043,56 21.216,57 26.717,59 1.607,61 1,62 1.16,64 2.652,65 13.405,66 28.561,67 21.284,68 4.543,69 2.117,70 23.642,71 6.3}
{0 CHEMBL1997340,4 8.524,7 95.25,8 112.953,13 9.45,14 9.45,16 5,20 -0.205,22 30.093,25 8,27 0.665,28 1.875,29 113.822,30 0.464,31 12.415,32 1.137,33 5.283,34 7.593,35 1,36 0.256,37 4.48,38 4.48,40 6.446,41 6.446,42 1,43 17.347,44 3.192,45 16.855,46 3.674,48 25.018,49 0.563,50 16.261,51 4.443,52 12.866,53 5.098,54 23.191,55 1,56 21.368,57 26.848,58 1,59 1.631,61 1,62 1.238,63 2,64 2.746,65 21.401,66 28.681,67 21.289,68 4.663,69 2.293,70 23.614,71 5.1}
{0 CHEMBL1997349,4 21.636,6 2,7 96.21,8 136.377,12 6,13 11.062,14 11.062,16 12,20 0.711,21 1,22 36.578,25 16,26 2.752,27 0.597,28 2.893,29 210.633,30 0.674,31 13.156,32 0.905,33 5.533,34 2.144,36 0.289,37 4.818,38 4.818,40 7.153,41 7.153,43 18.858,44 4.104,45 20.48,46 3.901,47 1,48 26.306,49 0.567,50 17.665,51 5.193,52 13.641,53 5.437,54 24.399,55 2,56 22.498,57 28.219,58 5,59 1.714,62 1.333,63 3,64 3.399,65 20.69,66 30.137,67 23.107,68 5.352,69 4.069,70 25.62,71 5.1}
{0 CHEMBL199737,1 1,4 12.089,7 129.11,8 65.712,11 0.149,13 8.336,14 8.336,15 5.249,16 3,19 1,20 -0.805,21 1,22 50.449,23 2,24 1.188,25 2,27 0.27,28 1.665,29 99.85,30 0.521,31 12.226,33 5.476,34 1.358,35 1,36 0.244,37 4.738,38 4.738,40 6.975,41 6.975,42 1,43 17.977,44 2.387,45 19.151,46 3.463,48 25.419,50 16.79,51 4.094,52 12.798,53 5.411,54 23.507,56 21.601,57 27.336,58 3,59 1.615,60 1,61 1,62 0.817,64 3.156,65 31.103,66 29.257,67 22.265,68 4.663,69 3.306,70 24.757,71 4.699}
{0 CHEMBL1997503,4 20.677,7 97.48,8 198.735,11 0.4,12 11,13 8.944,14 8.944,16 8,18 1,20 -0.713,22 33.733,25 15,27 0.649,28 2.466,29 164.093,30 0.352,31 12.587,32 1.286,33 5.283,35 1,36 0.334,37 4.41,38 4.41,39 1,40 6.321,41 6.321,43 17.326,44 3.786,45 16.232,46 3.785,48 25.004,49 1.021,50 16.266,51 4.635,52 12.988,53 5.043,54 23.206,55 2,56 21.412,57 26.806,58 2,59 1.784,61 1,62 1.362,64 2.987,65 50.333,66 28.61,67 21.154,68 4.832,69 3.925,70 23.431,71 5.1}
{0 CHEMBL1997534,4 17.871,7 95.25,8 156.714,11 0.473,12 2,13 9.868,14 9.868,16 4,18 1,20 -0.069,22 60.973,24 1.515,25 6,27 0.228,28 2.998,29 52.808,30 0.319,31 12.67,32 1.024,33 5.416,34 4.861,35 1,36 0.175,37 4.584,38 4.584,39 1,40 6.597,41 6.597,43 17.804,44 3.988,45 17.384,46 3.875,48 25.409,49 0.746,50 16.694,51 4.644,52 13.206,53 5.255,54 23.568,56 21.731,57 27.255,59 1.729,62 1.449,64 3.087,65 21.077,66 29.105,67 21.782,68 5.037,69 2.162,70 24.139,71 5.1}
{0 CHEMBL199755,4 7.52,7 86.02,8 99.627,12 2,13 8.812,14 8.812,16 2,20 0.041,22 58.846,24 1.455,25 4,27 0.226,28 2.916,29 41.808,30 0.149,31 12.442,32 1.225,33 5.416,34 4.115,35 1,36 0.121,37 4.653,38 4.653,40 6.746,41 6.746,42 1,43 17.644,44 3.558,45 18.238,46 3.733,48 25.163,49 0.795,50 16.508,51 4.477,52 12.857,53 5.325,54 23.299,56 21.442,57 27.032,59 1.58,61 1,62 1.284,64 2.56,65 14.54,66 28.906,67 21.754,68 4.605,69 2.117,70 24.171,71 4.921}
{0 CHEMBL199759,1 1,4 16.055,5 1,7 138.34,8 107.896,9 1,11 0.892,12 4,13 8.342,14 8.342,15 5.379,16 4,17 0.141,18 1,19 1,20 -0.983,22 60.285,23 2,24 1.137,25 4,27 0.411,28 2.074,29 110.85,30 0.802,31 12.427,32 0.403,33 5.476,34 4.115,35 1,36 0.301,37 4.738,38 4.738,39 1,40 6.975,41 6.975,42 1,43 18.001,44 3.269,45 19.154,46 3.533,48 25.454,49 0.518,50 16.823,51 4.357,52 12.967,53 5.415,54 23.551,56 21.656,57 27.364,58 2,59 1.632,60 1,61 1,62 1.062,64 3.162,65 32.54,66 29.279,67 22.277,68 4.783,69 3.634,70 24.765,71 4}
{0 CHEMBL1997597,4 8.618,7 109.25,8 53.62,12 4,13 10.224,14 10.224,15 5.813,16 1,19 2,22 17.073,25 4,27 0.367,28 1.921,29 93.873,30 0.193,31 12.319,32 1.006,33 4.727,34 4.472,36 0.309,37 4.693,38 4.693,40 6.727,41 6.727,42 1,43 18.015,44 3.292,45 17.474,46 3.789,48 25.476,49 0.376,50 16.877,51 4.277,52 13.248,53 5.149,54 23.605,55 1,56 21.737,57 27.35,59 1.694,60 1,61 1,62 1.062,64 2.791,65 52.459,66 29.228,67 22.053,68 5.121,70 24.431,71 5.1}
{0 CHEMBL1997617,4 28.063,6 1,7 72.44,8 80.947,10 2,11 0.8,12 6,13 9.32,14 9.32,15 6.4,16 12,18 1,19 1,22 42.035,23 2,25 11,26 2.358,27 0.436,28 4.414,29 77.468,30 0.467,31 12.977,32 0.886,33 4.844,34 14.099,36 0.308,37 4.761,38 4.761,39 1,40 7.049,41 7.049,43 18.296,44 4.363,45 19.668,46 3.799,48 25.825,49 0.917,50 17.131,51 5.112,52 13.245,53 5.383,54 23.935,55 2,56 22.055,57 27.723,59 1.939,60 1,62 1.443,63 1,64 3.065,65 27.785,66 29.628,67 22.626,68 4.987,69 1.72,70 25.116,71 5.1}
{0 CHEMBL1997623,3 2,4 19.34,7 95.83,8 82.217,11 0.247,12 1,13 10.173,14 10.173,15 5.796,16 2,19 2,20 -0.643,21 1,22 26.391,25 2,27 0.776,28 1.957,29 119.585,30 0.821,31 12.606,32 0.888,33 4.727,34 4.276,36 0.865,37 4.553,38 4.553,40 7.116,41 7.116,42 1,43 18.377,44 3.571,45 18.668,46 3.821,48 25.94,49 0.337,50 17.216,51 4.585,52 13.259,53 5.225,54 24.029,56 22.126,57 27.858,59 1.743,60 1,61 1,62 1.214,64 3.114,65 135.621,66 29.78,67 22.454,68 5.066,69 5.335,70 24.889,71 5.1}
{0 CHEMBL1997759,4 11.833,7 68.52,8 53.266,12 1,13 9.372,14 9.372,16 9,18 1,20 -0.272,22 23.548,23 4,25 5,27 0.453,28 1.808,29 69.593,30 0.246,31 12.548,32 0.902,33 4.727,34 2.757,36 0.208,37 4.679,38 4.679,39 1,40 6.868,41 6.868,42 1,43 17.812,44 3.556,45 18.974,46 3.764,48 25.43,49 0.572,50 16.669,51 4.585,52 13.053,53 5.277,54 23.55,55 1,56 21.676,57 27.317,58 1,59 1.681,61 1,62 1.104,63 3,64 2.89,65 18.462,66 29.208,67 22.101,68 4.796,69 2.117,70 24.55,71 5.1}
{0 CHEMBL1997764,4 11.833,7 67.01,8 60.088,12 3,13 8.729,14 8.729,16 4,18 1,20 -0.189,22 26.55,25 6,27 0.2,28 1.889,29 52.93,30 0.194,31 12.483,32 0.853,33 4.727,34 11.771,36 0.178,37 4.61,38 4.61,39 1,40 6.718,41 6.718,42 1,43 17.532,44 3.589,45 18.073,46 3.753,48 25.164,49 0.577,50 16.418,51 4.564,52 13.016,53 5.209,54 23.311,56 21.466,57 27.022,58 1,59 1.649,61 1,62 1.098,64 2.824,65 18.075,66 28.887,67 21.689,68 4.796,69 2.117,70 24.091,71 5.1}
{0 CHEMBL1997822,3 1,4 8.74,7 125.46,8 120.408,12 3,13 11.679,14 11.679,15 6.295,16 2,19 3,22 58.691,24 1.591,25 6,27 0.214,28 3.931,29 93.996,30 0.338,31 12.976,32 1.099,33 5.416,34 19.746,36 0.2,37 4.815,38 4.815,40 7.121,41 7.121,42 1,43 18.827,44 4.067,45 19.593,46 4.056,48 26.355,49 0.796,50 17.646,51 5.011,52 13.698,53 5.408,54 24.431,55 1,56 22.513,57 28.283,59 1.792,60 1,61 1,62 1.263,64 3.034,65 45.893,66 30.215,67 23.067,68 5.515,69 5.9,70 25.545,71 5.1}
{0 CHEMBL1997846,4 11.088,7 66.49,8 44.327,12 2,13 8.373,14 8.373,16 7,22 27.874,23 3,25 4,27 0.355,28 2.319,29 89.505,30 0.295,31 12.392,32 0.998,33 4.727,34 56.319,36 0.166,37 4.6,38 4.6,40 6.714,41 6.714,42 1,43 17.439,44 3.65,45 18.109,46 3.71,48 25.022,49 0.742,50 16.32,51 4.466,52 12.812,53 5.21,54 23.163,55 1,56 21.313,57 26.888,59 1.632,61 1,62 1.166,64 2.707,65 19.294,66 28.759,67 21.61,68 4.62,69 0.8,70 24.023,71 6.3}
{0 CHEMBL1997872,4 8.912,7 58.22,8 52.05,11 0.293,12 1,13 9.447,14 9.447,16 4,20 0.061,22 31.946,25 7,27 0.258,28 1.878,29 52.93,30 0.277,31 12.351,32 1.252,33 4.595,34 11.771,36 0.242,37 4.472,38 4.472,39 1,40 6.427,41 6.427,42 1,43 17.244,44 3.553,45 16.737,46 3.634,48 24.98,49 0.611,50 16.165,51 4.394,52 12.831,53 5.144,54 23.151,55 1,56 21.326,57 26.811,59 1.689,61 1,62 1.169,64 2.693,65 16.158,66 28.645,67 21.243,68 4.605,69 2.293,70 23.563,71 5.1}
{0 CHEMBL1998112,1 1,3 2,4 19.544,7 103.77,8 64.597,11 0.86,12 4,13 9.731,14 9.731,15 5.497,16 7,17 0.4,18 2,19 2,20 -0.522,22 30.691,23 2,25 7,27 0.406,28 1.989,29 113.613,30 0.469,31 12.679,32 1.086,33 4.595,34 11.771,36 0.392,37 4.586,38 4.586,39 2,40 6.596,41 6.596,42 1,43 17.756,44 3.997,45 17.58,46 3.835,47 1,48 25.438,49 0.574,50 16.649,51 4.771,52 13.192,53 5.177,54 23.593,55 2,56 21.751,57 27.287,58 3,59 1.59,60 1,61 1,62 1.484,63 1,64 3.136,65 33.558,66 29.138,67 21.848,68 4.997,69 1.96,70 24.206,71 5.1}
{0 CHEMBL1998121,3 3,4 15.022,7 83.8,8 62.342,9 1,12 2,13 9.254,14 9.254,15 5.675,16 2,19 1,20 -0.137,22 27.006,25 4,27 0.36,28 1.911,29 153.002,30 0.501,31 12.302,32 1.018,33 4.595,34 2.144,35 2,36 0.173,37 4.43,38 4.43,40 6.473,41 6.473,42 1,43 17.228,44 3.742,45 16.849,46 3.66,48 24.958,49 0.407,50 16.151,51 4.277,52 12.864,53 5.064,54 23.133,56 21.313,57 26.787,59 1.65,60 1,61 1,62 1.046,64 2.951,65 23.265,66 28.619,67 21.22,68 4.732,69 3.497,70 23.545,71 5.1}
{0 CHEMBL1998193,4 20.284,7 108.04,11 0.247,12 2,13 7.392,14 7.392,16 2,17 0.247,20 -0.46,22 28.415,25 2,27 0.368,28 1.356,29 83.861,30 0.382,31 11.609,32 0.975,34 8.552,35 2,36 0.369,37 3.963,38 3.963,40 5.484,41 5.484,42 1,43 15.197,44 3.598,45 12.803,46 3.619,48 22.998,49 0.683,50 14.312,51 3.555,52 12.146,53 4.63,54 21.322,56 19.651,57 24.677,59 1.785,61 1,62 1.23,64 2.536,65 34.98,66 26.36,67 18.685,68 3.951,69 2.912,70 20.804,71 5.1}
{0 CHEMBL1998414,4 11.772,7 86.02,8 102.071,12 3,13 8.161,14 8.161,16 2,20 -0.05,22 54.314,24 1.403,25 4,27 0.262,28 2.14,29 80.957,30 0.312,31 12.178,32 0.924,33 5.416,34 4.115,35 1,36 0.147,37 4.597,38 4.597,40 6.561,41 6.561,42 1,43 17.286,44 3.235,45 17.06,46 3.575,48 24.789,49 0.52,50 16.174,51 4.094,52 12.81,53 5.237,54 22.953,56 21.125,57 26.631,59 1.553,61 1,62 1.062,64 2.963,65 14.52,66 28.478,67 21.178,68 4.677,69 2.117,70 23.536,71 5.1}
{0 CHEMBL1998435,4 7.215,7 58.04,13 8.632,14 8.632,16 4,22 15.951,25 3,27 0.102,28 1.496,29 76.254,30 0.074,31 12.066,32 1.198,34 2.328,35 1,36 0.12,37 4.473,38 4.473,40 6.303,41 6.303,42 1,43 16.756,44 3.245,45 16.092,46 3.462,48 24.438,49 0.309,50 15.69,51 4.22,52 12.602,53 5.053,54 22.63,56 20.826,57 26.25,59 1.481,61 1,62 1.062,64 2.413,65 16.883,66 28.065,67 20.692,68 4.407,69 0.8,70 22.989,71 5.1}
{0 CHEMBL1998545,4 8.636,7 62.22,13 8.607,14 8.607,16 3,20 -0.184,22 19.981,25 3,27 0.218,28 1.767,29 84.614,30 0.22,31 12.08,32 0.904,35 1,36 0.137,37 4.285,38 4.285,40 6.169,41 6.169,42 1,43 16.527,44 3.62,45 15.407,46 3.696,48 24.38,49 0.48,50 15.509,51 4.111,52 12.577,53 4.957,54 22.595,56 20.814,57 26.168,59 1.751,61 1,62 1.062,64 2.826,65 23.206,66 27.96,67 20.44,68 4.29,69 2.117,70 22.682,71 5.1}
{0 CHEMBL1998551,4 16.133,6 1,7 81.13,8 177.822,12 4,13 12.137,14 12.137,16 7,22 43.244,23 2,25 12,26 2.014,27 0.986,28 2.433,29 139.378,30 0.801,31 13.041,32 0.993,33 5.82,34 32.677,36 0.331,37 4.74,38 4.74,40 7.292,41 7.292,42 1,43 19.044,44 4.021,45 20.244,46 3.796,47 1,48 26.508,49 0.818,50 17.838,51 5.088,52 13.486,53 5.439,54 24.566,55 3,56 22.63,57 28.456,58 2,59 1.746,61 1,62 1.321,63 2,64 3.141,65 27.206,66 30.407,67 23.355,68 5.231,69 1.529,70 25.878,71 5.1}
{0 CHEMBL1998585,4 19.296,7 121.17,8 75.892,10 1,11 0.247,12 1,13 11.489,14 11.489,15 5.947,16 3,19 2,20 -0.885,22 64.963,23 1,24 1.417,25 2,27 1.085,28 2.507,29 151.454,30 0.93,31 12.736,32 0.869,33 4.727,34 33.335,36 0.959,37 4.666,38 4.666,40 7.119,41 7.119,42 1,43 18.596,44 3.537,45 18.877,46 3.815,48 26.159,49 0.321,50 17.423,51 4.7,52 13.353,53 5.301,54 24.238,55 1,56 22.324,57 28.085,59 1.617,60 1,61 1,62 1.231,64 3.244,65 150.057,66 30.015,67 22.798,68 5.147,69 5.335,70 25.261,71 5.1}
{0 CHEMBL1998611,1 1,4 9.232,7 97.35,8 26.227,10 1,13 8.487,14 8.487,15 11.026,19 3,20 -0.531,22 49.972,23 1,24 1.242,25 1,27 0.263,28 2.435,29 130.088,30 0.183,31 12.187,33 4.844,34 2.104,36 0.159,37 4.751,38 4.751,40 6.989,41 6.989,42 1,43 18.006,44 1.774,45 19.199,46 3.761,48 25.485,50 16.819,51 3.989,52 12.821,53 5.366,54 23.575,56 21.671,57 27.4,59 0.968,60 2,61 1,62 0.315,64 2.804,65 24.838,66 29.32,67 22.247,68 4.677,69 1.96,70 24.74,71 5.1}
{0 CHEMBL1998829,4 9.121,7 57.78,8 56.193,12 3,13 8.718,14 8.718,16 2,20 -0.199,22 24.807,25 4,27 0.216,28 1.951,29 81.079,30 0.205,31 12.457,32 0.896,33 4.727,34 11.771,36 0.118,37 4.61,38 4.61,40 6.718,41 6.718,42 1,43 17.521,44 3.557,45 18.073,46 3.756,48 25.148,49 0.368,50 16.406,51 4.522,52 13.002,53 5.208,54 23.293,56 21.446,57 27.009,59 1.643,61 1,62 1.062,64 2.907,65 12.73,66 28.875,67 21.681,68 4.796,69 2.117,70 24.085,71 5.1}
{0 CHEMBL1999112,3 2,4 18.873,5 1,7 152.63,8 210.107,9 1,10 2,11 1.674,12 5,13 10.524,14 10.524,15 6.204,16 13,17 1.248,19 2,20 -0.368,22 70.977,23 2,25 9,27 0.646,28 2.898,29 144.261,30 0.903,31 12.975,32 1.063,33 5.687,34 34.44,35 1,36 0.486,37 4.751,38 4.751,39 1,40 7.266,41 7.266,42 1,43 18.761,44 3.944,45 20.935,46 3.772,48 26.203,49 0.593,50 17.543,51 5.043,52 13.273,53 5.566,54 24.271,55 2,56 22.347,57 28.141,58 5,59 1.587,60 1,61 1,62 1.415,63 3,64 3.775,65 35.329,66 30.084,67 23.202,68 4.82,69 6.301,70 25.761,71 5.2}
{0 CHEMBL1999126,4 19.468,6 2,7 96.21,8 123.682,12 8,13 11.044,14 11.044,16 12,20 0.862,21 1,22 29.577,25 17,26 2.887,27 0.391,28 2.625,29 132.336,30 0.431,31 13.09,32 0.898,33 5.533,34 2.144,36 0.196,37 4.818,38 4.818,40 7.153,41 7.153,42 1,43 18.82,44 4.034,45 20.48,46 3.74,47 1,48 26.263,49 0.569,50 17.623,51 5.124,52 13.558,53 5.437,54 24.35,55 2,56 22.444,57 28.181,58 5,59 1.714,61 1,62 1.336,63 3,64 3.353,65 15.671,66 30.103,67 23.09,68 5.215,69 4.069,70 25.605,71 6.1}
{0 CHEMBL1999321,4 22.114,7 80.32,11 0.4,12 3,13 7.788,14 7.788,16 6,18 1,20 -0.372,22 36.85,23 3,25 4,27 0.391,28 1.872,29 78.075,30 0.403,31 12.458,32 1.04,36 0.096,37 4.65,38 4.65,39 1,40 6.95,41 6.95,42 1,43 17.973,44 3.754,45 19.62,46 3.762,48 25.358,49 0.781,50 16.808,51 4.331,52 13.005,53 5.357,54 23.461,56 21.575,57 27.264,59 1.88,61 1,62 1.124,64 2.847,65 15.942,66 29.176,67 22.086,68 4.635,69 1.72,70 24.585,71 5.1}
{0 CHEMBL1999428,4 8.707,7 41.99,13 8.838,14 8.838,16 3,20 -0.067,22 17.447,25 3,27 0.158,28 1.586,29 41.93,30 0.116,31 12.053,32 1.029,36 0.118,37 4.288,38 4.288,40 6.181,41 6.181,42 1,43 16.675,44 3.455,45 15.582,46 3.685,48 24.56,49 0.283,50 15.643,51 4.043,52 12.593,53 4.968,54 22.76,56 20.962,57 26.362,59 1.662,61 1,62 1.062,64 2.841,65 15.183,66 28.165,67 20.616,68 4.29,69 2.162,70 22.869,71 5.1}
{0 CHEMBL1999496,4 21.736,7 41.99,11 0.149,12 4,13 8.175,14 8.175,16 3,20 0.069,22 22.738,23 1,25 2,27 0.202,28 2.584,29 41.93,30 0.2,31 12.93,32 0.82,33 6.252,36 0.132,37 4.945,38 4.945,40 8.356,41 8.356,42 1,43 20.271,44 4.068,45 25.174,46 3.771,48 27.625,49 0.764,50 18.924,51 4.635,52 13.258,53 5.897,54 25.514,56 23.409,57 29.74,58 1,59 1.601,61 1,62 1.246,64 2.674,65 20.046,66 31.857,67 25.393,68 4.758,69 3.306,70 28.218,71 5.1}
{0 CHEMBL199951,4 9.945,7 86.02,8 77.843,12 1,13 8.354,14 8.354,16 2,20 0.06,22 55.66,24 1.46,25 4,27 0.229,28 2.413,29 41.808,30 0.198,31 12.12,32 1.175,33 5.416,34 4.115,35 1,36 0.12,37 4.598,38 4.598,40 6.562,41 6.562,42 1,43 17.287,44 3.216,45 17.096,46 3.515,48 24.778,49 0.623,50 16.169,51 4.025,52 12.618,53 5.241,54 22.936,56 21.1,57 26.625,59 1.547,61 1,62 1.129,64 2.541,65 13.185,66 28.476,67 21.189,68 4.46,69 2.117,70 23.552,71 4.699}
{0 CHEMBL1999556,1 1,3 2,4 2.824,7 84.22,8 32.413,12 1,13 8.541,14 8.541,15 5.317,16 1,19 1,20 -0.393,22 47.031,24 1.377,25 5,27 0.076,28 1.93,29 74.828,30 0.107,31 12.211,32 1.118,33 4.727,34 2.104,36 0.085,37 4.626,38 4.626,40 6.727,41 6.727,42 1,43 17.474,44 2.885,45 18.194,46 3.455,48 25.064,49 0.218,50 16.339,51 4.248,52 12.766,53 5.26,54 23.195,56 21.333,57 26.937,58 1,59 1.228,60 2,61 1,62 0.884,64 2.525,65 18.317,66 28.814,67 21.659,68 4.543,69 1.96,70 24.078,71 5.5}
{0 CHEMBL1999590,4 13.843,6 1,7 81.13,8 148.508,12 6,13 8.063,14 8.063,16 9,22 18.804,23 3,25 7,26 1.799,27 0.302,28 1.572,29 76.404,30 0.218,31 12.396,32 0.912,33 5.283,34 24.633,35 1,36 0.185,37 4.535,38 4.535,40 6.723,41 6.723,42 1,43 17.417,44 3.689,45 18.159,46 3.761,48 25.018,49 0.483,50 16.297,51 4.419,52 12.872,53 5.211,54 23.159,55 2,56 21.308,57 26.885,58 2,59 1.69,61 1,62 1.247,63 1,64 2.603,65 16.952,66 28.758,67 21.631,68 4.559,70 24.05,71 5.1}
{0 CHEMBL1999714,4 17.388,7 48.65,13 8.88,14 8.88,16 1,20 -0.072,22 19.346,23 1,25 1,27 0.19,28 1.408,29 25.145,30 0.105,31 12.111,32 1.063,33 2.708,36 0.068,37 4.43,38 4.43,40 6.514,41 6.514,42 1,43 17.108,44 2.698,45 16.988,46 3.268,48 24.772,49 0.227,50 16.007,51 4.248,52 12.565,53 5.08,54 22.933,56 21.1,57 26.615,59 1.395,61 1,62 0.876,64 2.674,65 9.465,66 28.461,67 21.147,68 4.388,69 2.117,70 23.5,71 5.1}
{0 CHEMBL1999718,4 19.502,7 90.7,11 1.656,12 2,13 10.203,14 10.203,16 6,17 0.247,20 -0.63,22 20.449,23 2,25 4,27 0.889,28 1.484,29 134.656,30 0.68,31 12.403,32 0.951,34 6.604,36 0.869,37 4.584,38 4.584,40 7.121,41 7.121,42 1,43 18.295,44 3.259,45 18.84,46 3.596,48 25.853,49 0.238,50 17.123,51 4.431,52 13.116,53 5.27,54 23.932,56 22.017,57 27.781,58 1,59 1.559,61 1,62 1.065,63 2,64 3.569,65 138.542,66 29.714,67 22.412,68 4.879,69 5.86,70 24.862,71 5.1}
{0 CHEMBL1999749,4 30.181,7 79.74,8 117.623,11 0.86,12 6,13 10.413,14 10.413,16 10,17 0.4,18 2,22 41.406,23 2,25 11,27 0.433,28 4.123,29 98.254,30 0.331,31 13.14,32 0.997,33 6.354,34 2.328,35 2,36 0.259,37 4.55,38 4.55,39 2,40 7.068,41 7.068,43 18.671,44 4.409,45 19.08,46 3.897,48 26.029,49 1.02,50 17.499,51 5.13,52 13.452,53 5.453,54 24.138,55 1,56 22.255,57 27.927,58 1,59 1.907,62 1.528,64 3.138,65 32.813,66 29.832,67 22.86,68 5.19,69 1.776,70 25.328,71 5.1}
{0 CHEMBL1999774,3 2,4 16.708,7 112.57,8 56.634,10 1,13 10.036,14 10.036,15 5.716,16 6,20 -1.248,22 26.249,23 5,25 5,27 0.916,28 2.002,29 216.129,30 0.661,31 12.617,32 0.904,33 4.595,34 2.328,36 0.372,37 4.736,38 4.736,40 6.99,41 6.99,42 1,43 18.196,44 3.494,45 19.484,46 3.66,48 25.768,49 0.503,50 17.026,51 4.615,52 13.051,53 5.347,54 23.872,55 2,56 21.981,57 27.669,58 1,59 1.592,60 1,61 1,62 1.139,63 2,64 3.046,65 51.638,66 29.575,67 22.421,68 4.89,69 2.873,70 24.899,71 5.1}
{0 CHEMBL1999811,4 13.263,7 147.97,8 52.43,12 2,13 8.701,14 8.701,16 2,20 -0.556,22 45.333,23 2,24 1.062,25 4,27 0.573,28 1.43,29 157.127,30 0.42,31 12.155,32 0.663,33 4.595,34 4.276,35 1,36 0.291,37 4.515,38 4.515,40 6.519,41 6.519,42 1,43 17.08,44 3.011,45 17.08,46 3.614,48 24.787,49 0.155,50 15.999,51 4.078,52 12.827,53 5.073,54 22.955,55 1,56 21.129,57 26.625,58 2,59 1.366,61 1,62 1.078,64 3.017,65 19.735,66 28.467,67 21.143,68 4.677,69 2.86,70 23.491,71 5.1}
{0 CHEMBL1999918,1 1,3 1,4 5.614,7 84.22,8 39.711,13 9.717,14 9.717,15 5.251,16 1,19 1,20 -0.565,22 68.328,24 1.165,25 5,27 0.505,28 2.212,29 104.748,30 0.416,31 12.487,32 0.895,33 4.727,34 32.024,36 0.296,37 4.667,38 4.667,40 6.859,41 6.859,42 1,43 17.946,44 3.074,45 19.007,46 3.823,48 25.543,49 0.014,50 16.798,51 4.489,52 13.062,53 5.325,54 23.663,56 21.788,57 27.427,58 1,59 1.226,60 2,61 1,62 0.851,64 3.07,65 49.548,66 29.316,67 22.119,68 4.902,69 1.96,70 24.567,71 5.9}
{0 CHEMBL1999931,4 15.901,6 1,7 88.49,8 149.537,12 5,13 9.127,14 9.127,16 5,20 -0.194,21 1,22 26.169,23 1,25 11,26 1.808,27 0.324,28 2.169,29 75.011,30 0.339,31 12.631,32 0.924,33 5.352,34 11.771,36 0.164,37 4.578,38 4.578,40 6.577,41 6.577,42 1,43 17.519,44 3.818,45 17.285,46 3.843,48 25.141,49 0.551,50 16.426,51 4.71,52 13.141,53 5.151,54 23.311,55 1,56 21.486,57 26.976,58 1,59 1.745,61 1,62 1.32,64 2.959,65 14.576,66 28.815,67 21.526,68 4.902,69 2.117,70 23.873,71 5.1}
{0 CHEMBL199996,1 1,3 2,4 16.973,7 141.14,8 99.855,9 1,11 0.247,12 4,13 8.346,14 8.346,15 5.378,16 2,19 1,20 -1.05,22 52.777,23 2,24 1.142,25 2,27 0.355,28 2.007,29 99.85,30 0.526,31 12.43,32 0.947,33 5.476,34 8.391,35 1,36 0.273,37 4.738,38 4.738,40 6.976,41 6.976,42 1,43 18.009,44 3.354,45 19.154,46 3.531,48 25.459,49 0.286,50 16.831,51 4.357,52 12.966,53 5.415,54 23.556,56 21.661,57 27.368,58 2,59 1.606,60 1,61 1,62 1.062,64 3.159,65 28.763,66 29.283,67 22.281,68 4.783,69 2.912,70 24.769,71 4.699}
{0 CHEMBL2000071,4 8.984,7 73.83,8 37.852,13 8.098,14 8.098,16 2,22 17.628,23 2,25 2,27 0.277,28 1.46,29 76.254,30 0.155,31 12.244,32 0.82,33 4.727,34 14.099,36 0.175,37 4.674,38 4.674,40 6.908,41 6.908,42 1,43 17.661,44 3.367,45 18.811,46 3.482,48 25.266,49 0.476,50 16.5,51 4.29,52 12.713,53 5.293,54 23.361,55 1,56 21.463,57 27.175,59 1.622,61 1,62 1.062,64 2.245,65 18.99,66 29.089,67 22.091,68 4.407,69 0.8,70 24.566,71 5.1}
{0 CHEMBL2000104,1 1,3 2,4 6.559,7 126.74,8 48.28,12 3,13 10.99,14 10.99,15 5.334,16 1,19 1,20 -0.471,22 49.481,24 1.292,25 11,27 0.399,28 2.703,29 119.141,30 0.212,31 12.506,32 1.042,33 4.727,34 2.104,36 0.271,37 4.843,38 4.843,40 7.286,41 7.286,42 1,43 18.606,44 3.378,45 19.584,46 3.75,48 26.206,49 0.424,50 17.417,51 4.5,52 13.393,53 5.351,54 24.261,55 1,56 22.322,57 28.156,58 1,59 1.694,60 2,61 1,62 1.062,64 3.118,65 60.983,66 30.111,67 22.934,68 5.19,69 5.9,70 25.429,71 5.1}
{0 CHEMBL2000114,4 11.313,7 99.13,8 30.439,13 6.37,14 6.37,16 2,22 45.027,23 2,27 0.317,28 1.331,29 76.254,30 0.119,31 11.906,32 0.783,33 4.727,34 14.099,36 0.22,37 4.625,38 4.625,40 6.799,41 6.799,42 1,43 17.346,44 2.945,45 18.003,46 3.46,48 24.975,49 0.469,50 16.198,51 3.807,52 12.457,53 5.206,54 23.077,55 1,56 21.183,57 26.878,59 1.404,61 1,62 0.865,64 2.413,65 18.5,66 28.785,67 21.736,68 4.227,69 5.9,70 24.181,71 5.1}
{0 CHEMBL2000271,3 1,4 13.036,5 1,7 76.82,8 69.454,10 1,12 2,13 8.979,14 8.979,15 5.958,16 5,18 1,19 1,22 31.507,23 1,25 7,27 0.339,28 2.264,29 77.346,30 0.342,31 12.433,32 0.914,33 4.727,34 2.757,36 0.131,37 4.558,38 4.558,39 1,40 6.522,41 6.522,42 1,43 17.27,44 3.901,45 16.757,46 3.794,48 24.908,49 0.734,50 16.185,51 4.477,52 12.946,53 5.152,54 23.084,56 21.268,57 26.738,59 1.792,60 1,61 1,62 1.281,64 2.816,65 20.606,66 28.573,67 21.245,68 4.745,69 1.72,70 23.576,71 5.1}
{0 CHEMBL2000335,4 18.168,7 121.17,8 66.604,10 1,12 1,13 8.386,14 8.386,15 6.018,16 3,19 2,20 -0.283,22 59.027,23 1,24 1.53,25 2,27 0.165,28 2.529,29 91.613,30 0.209,31 12.577,32 0.783,33 4.727,34 18.375,36 0.244,37 4.666,38 4.666,40 6.884,41 6.884,42 1,43 17.791,44 3.609,45 18.662,46 3.809,48 25.408,49 0.616,50 16.658,51 4.564,52 13.148,53 5.299,54 23.535,55 1,56 21.671,57 27.289,59 1.633,60 1,61 1,62 1.313,64 2.985,65 23.004,66 29.177,67 22.065,68 4.997,69 2.912,70 24.515,71 5.1}
{0 CHEMBL2000345,4 12.47,7 81.93,8 51.342,12 2,13 9.383,14 9.383,16 4,18 1,20 0.386,22 24.471,23 1,25 6,27 0.359,28 1.923,29 101.528,30 0.326,31 12.426,32 1.178,33 4.727,34 2.144,36 0.173,37 4.544,38 4.544,39 1,40 6.402,41 6.402,42 1,43 17.439,44 3.558,45 16.731,46 3.813,47 1,48 25.002,49 0.562,50 16.343,51 4.443,52 13.078,53 5.067,54 23.185,56 21.372,57 26.822,59 1.508,61 1,62 1.104,63 1,64 3.058,65 17.53,66 28.645,67 21.272,68 4.902,69 4.069,70 23.598,71 5.1}
{0 CHEMBL2000354,4 14.539,7 102.92,8 66.694,11 0.86,13 8.671,14 8.671,16 4,17 0.624,18 1,20 0.842,22 50.354,25 6,27 0.306,28 1.755,29 95.614,30 0.355,31 12.164,32 0.725,33 4.727,34 0.693,36 0.229,37 4.338,38 4.338,39 1,40 6.187,41 6.187,42 1,43 16.849,44 3.264,45 15.592,46 3.765,48 24.446,49 0.337,50 15.797,51 4.143,52 12.724,53 5.05,54 22.661,56 20.882,57 26.234,59 1.52,61 1,62 1.062,63 1,64 3.126,65 17.612,66 28.025,67 20.535,68 4.511,69 7.134,70 22.798,71 5.1}
{0 CHEMBL2000393,2 1,4 27.218,6 1,7 90.62,8 114.608,11 0.728,12 4,13 10.952,14 10.952,16 6,17 0.167,18 1,20 -0.384,22 49.346,25 6,26 1.553,27 0.925,28 2.833,29 116.422,30 0.786,31 13.091,32 0.882,33 5.476,34 40.567,35 1,36 0.553,37 4.635,38 4.635,39 1,40 7.039,41 7.039,42 1,43 18.59,44 3.798,45 19.764,46 3.826,47 1,48 26.128,49 0.514,50 17.421,51 5.17,52 13.394,53 5.38,54 24.227,55 6,56 22.331,57 28.035,58 4,59 1.704,61 1,62 1.181,63 6,64 3.26,65 30.501,66 29.946,67 22.925,68 5.156,69 2.981,70 25.405,71 5.1}
{0 CHEMBL2000408,4 17.09,7 88.23,8 65.848,12 2,13 10.767,14 10.767,16 5,22 40.931,25 6,27 1.149,28 2.32,29 139.746,30 0.543,31 12.936,32 1.122,33 4.844,34 46.347,35 1,36 0.343,37 4.785,38 4.785,40 7.089,41 7.089,42 1,43 18.677,44 4.226,45 19.912,46 3.78,47 1,48 26.117,49 0.722,50 17.499,51 5.043,52 13.416,53 5.398,54 24.212,55 2,56 22.314,57 28.027,58 2,59 1.864,61 1,62 1.349,63 1,64 3.147,65 40.304,66 29.942,67 22.953,68 5.231,69 0.8,70 25.442,71 5.1}
{0 CHEMBL2000429,4 18.709,7 97.46,8 70.63,12 2,13 10.767,14 10.767,16 5,18 1,22 40.233,25 3,27 1.187,28 2.312,29 150.746,30 0.765,31 12.952,32 1.017,33 4.844,34 51.162,35 1,36 0.459,37 4.779,38 4.779,39 1,40 7.09,41 7.09,43 18.667,44 4.288,45 19.94,46 3.776,47 1,48 26.127,49 0.77,50 17.491,51 5.069,52 13.4,53 5.392,54 24.222,55 3,56 22.324,57 28.038,58 3,59 1.866,62 1.349,63 1,64 3.173,65 47.016,66 29.953,67 22.968,68 5.19,69 1.72,70 25.455,71 5.1}
{0 CHEMBL2000433,4 10.205,7 65.15,8 25.863,12 1,13 9.128,14 9.128,16 6,21 1,22 16.808,23 1,25 7,27 0.203,28 1.629,29 47.845,30 0.14,31 12.539,32 0.887,33 4.844,34 2.144,35 1,36 0.117,37 4.833,38 4.833,40 7.063,41 7.063,42 1,43 18.227,44 3.442,45 19.78,46 3.407,47 1,48 25.664,49 0.281,50 17.03,51 4.635,52 13.067,53 5.359,54 23.748,55 1,56 21.838,57 27.586,59 1.478,61 1,62 1.116,63 2,64 2.756,65 10.33,66 29.512,67 22.58,68 4.808,69 4.069,70 25.097,71 5.3}
{0 CHEMBL2000481,3 1,4 17.323,7 155.42,9 2,12 8,13 11.148,14 11.148,15 5.349,16 4,20 -0.099,22 33.427,25 12,27 0.669,28 3.052,29 144.163,30 0.434,31 12.742,32 1.067,35 2,36 0.456,37 4.849,38 4.849,40 7.297,41 7.297,42 1,43 18.683,44 3.94,45 19.798,46 3.824,48 26.303,49 0.564,50 17.499,51 4.736,52 13.505,53 5.353,54 24.364,55 1,56 22.432,57 28.248,58 2,59 1.824,62 1.405,64 3.568,65 63.293,66 30.198,67 23.042,68 5.247,69 2.117,70 25.541,71 5.1}
{0 CHEMBL2000508,4 1.628,7 58.43,8 84.555,13 8.453,14 8.453,16 6,22 52.283,24 1.577,25 7,27 0.196,28 2.087,29 48.531,30 0.203,31 12.533,32 1.268,33 5.416,34 41.259,36 0.123,37 4.733,38 4.733,40 7.018,41 7.018,42 1,43 18.048,44 3.409,45 19.4,46 3.768,47 1,48 25.53,49 0.324,50 16.866,51 4.605,52 12.973,53 5.409,54 23.62,55 1,56 21.718,57 27.447,58 1,59 1.44,61 1,62 1.062,64 2.51,65 7.557,66 29.369,67 22.436,68 4.691,70 24.941,71 5.1}
{0 CHEMBL2000568,4 2.428,7 45.75,8 37.755,13 8.802,14 8.802,16 4,20 0.076,22 18.978,25 5,27 0.107,28 1.299,29 41.93,30 0.143,31 12.079,32 0.895,33 4.595,34 11.771,36 0.058,37 4.469,38 4.469,40 6.312,41 6.312,42 1,43 16.915,44 2.992,45 16.131,46 3.378,48 24.625,49 0.335,50 15.846,51 4.111,52 12.712,53 5.057,54 22.814,56 21.006,57 26.439,59 1.584,61 1,62 0.908,64 2.67,65 9.013,66 28.254,67 20.825,68 4.543,69 2.555,70 23.111,71 5.1}
{0 CHEMBL2000685,3 8,4 41.759,7 365.24,11 1.072,12 20,13 9.397,14 9.397,15 43.387,16 10,17 1.072,20 -0.229,22 52.66,25 20,27 0.813,28 3.039,29 446.771,30 1.348,31 12.911,32 1.028,34 7.596,35 4,36 0.558,37 4.39,38 4.39,40 6.249,41 6.249,43 17.606,44 4.785,45 15.949,46 3.855,48 25.323,49 0.791,50 16.549,51 5.011,52 13.558,53 5.045,54 23.53,56 21.742,57 27.119,58 3,59 1.812,62 1.741,64 3.196,65 75.412,66 28.919,67 21.408,68 5.434,69 2.13,70 23.691,71 6.3}
{0 CHEMBL2000801,4 16.455,7 82.26,8 74.452,11 0.247,12 1,13 10.84,14 10.84,16 1,20 -0.744,22 62.838,24 1.403,25 2,27 1.299,28 2.342,29 99.961,30 0.96,31 12.654,32 0.869,33 4.595,34 19.982,36 0.894,37 4.575,38 4.575,40 7.24,41 7.24,43 18.58,44 3.504,45 19.593,46 3.846,48 26.137,49 0.331,50 17.396,51 4.575,52 13.282,53 5.302,54 24.204,56 22.279,57 28.077,59 1.594,62 1.102,64 3.135,65 142.546,66 30.022,67 22.815,68 5.066,69 5.335,70 25.303,71 5.1}
{0 CHEMBL2000832,4 29.411,7 107.21,11 0.86,12 4,13 9.416,14 9.416,16 3,17 0.473,18 1,20 -0.662,22 50.078,23 1,25 5,27 0.661,28 2.81,29 118.933,30 0.722,31 12.852,32 0.999,33 2.708,34 14.96,35 1,36 0.324,37 4.487,38 4.487,39 1,40 6.546,41 6.546,43 17.74,44 4.105,45 17.218,46 3.853,48 25.414,49 0.669,50 16.651,51 5.03,52 13.315,53 5.158,54 23.592,56 21.775,57 27.24,59 1.881,62 1.42,64 3.153,65 29.175,66 29.07,67 21.696,68 5.156,69 2.162,70 24.028,71 5.8}
{0 CHEMBL2000894,3 4,4 19.707,7 110.24,9 2,12 5,13 9.781,14 9.781,15 5.269,16 10,20 -1.138,22 31.279,23 2,25 7,27 0.587,28 2.355,29 142.533,30 0.364,31 12.807,32 1.068,34 11.771,35 3,36 0.19,37 4.625,38 4.625,40 6.951,41 6.951,42 1,43 18.19,44 4.069,45 19.457,46 3.747,48 25.783,49 0.588,50 17.031,51 4.942,52 13.19,53 5.336,54 23.899,56 22.021,57 27.673,59 1.72,60 1,61 1,62 1.206,63 3,64 3.23,65 21.919,66 29.567,67 22.434,68 4.924,69 1.96,70 24.897,71 5.1}
{0 CHEMBL2001224,4 22.43,7 99.93,8 72.532,11 0.86,12 5,13 7.626,14 7.626,16 3,17 0.247,18 1,20 -0.5,22 34.185,23 1,25 4,27 0.578,28 1.599,29 139.924,30 0.392,31 12.242,32 0.817,33 4.443,34 6.604,35 2,36 0.3,37 4.378,38 4.378,39 1,40 6.303,41 6.303,42 1,43 16.854,44 3.854,45 16.351,46 3.712,48 24.474,49 0.61,50 15.8,51 4.277,52 12.766,53 5.068,54 22.694,56 20.921,57 26.26,59 1.728,61 1,62 1.198,63 2,64 3.289,65 30.277,66 28.051,67 20.594,68 4.605,69 4.069,70 22.894,71 5.1}
{0 CHEMBL2001239,3 1,4 23.318,7 126.05,10 1,11 0.537,12 4,13 10.598,14 10.598,15 5.514,17 0.4,20 -2.126,22 26.423,23 2,27 1.041,28 1.845,29 235.111,30 1.493,31 12.51,32 1.069,34 3.798,36 1.016,37 4.499,38 4.499,40 7.053,41 7.053,42 1,43 18.293,44 3.874,45 18.543,46 3.744,48 25.878,49 0.224,50 17.136,51 4.543,52 13.143,53 5.249,54 23.97,55 3,56 22.069,57 27.792,59 1.741,61 1,62 1.178,64 3.076,65 155.783,66 29.712,67 22.317,68 4.977,69 5.621,70 24.741,71 5.2}
{0 CHEMBL2001257,4 27.434,7 111.52,8 85.095,11 0.249,12 3,13 8.757,14 8.757,15 6.281,16 5,17 0.247,19 3,20 -0.286,22 65.773,24 1.621,25 3,27 0.196,28 3.002,29 74.828,30 0.216,31 12.733,32 1.022,33 4.727,34 53.182,36 0.297,37 4.732,38 4.732,40 6.972,41 6.972,43 17.98,44 4.154,45 19.202,46 3.805,48 25.554,49 0.869,50 16.828,51 4.787,52 13.294,53 5.359,54 23.67,56 21.798,57 27.447,58 1,59 1.891,60 1,62 1.505,64 2.991,65 29.702,66 29.348,67 22.314,68 5.037,69 2.912,70 24.792,71 5.1}
{0 CHEMBL2001288,4 14.107,6 1,7 139.54,8 84.2,10 3,13 10.446,14 10.446,15 5.783,16 5,19 1,22 7.847,23 5,25 1,26 1.346,27 0.943,28 1.794,29 222.181,30 0.472,31 12.593,32 1.139,33 5.533,34 15.33,35 3,36 0.539,37 4.725,38 4.725,39 1,40 7.018,41 7.018,42 1,43 18.353,44 3.221,45 19.721,46 3.718,48 25.826,49 0.122,50 17.169,51 4.477,52 12.897,53 5.372,54 23.917,55 3,56 22.012,57 27.74,58 1,59 1.416,62 0.998,63 3,64 2.635,65 60.183,66 29.657,67 22.597,68 4.663,69 2.082,70 25.086,71 5.1}
{0 CHEMBL2001539,4 5.708,7 56.92,8 30.667,13 7.654,14 7.654,16 1,22 46.833,24 1.845,25 2,27 0.082,28 1.682,29 16.663,30 0.003,31 11.933,33 5.283,34 15.886,36 0.035,37 4.507,38 4.507,40 6.706,41 6.706,43 17.282,44 0.135,45 18.094,46 3.087,48 24.87,49 0.129,50 16.142,51 3.85,52 12.347,53 5.228,54 22.991,56 21.116,57 26.754,59 1.215,61 1,62 0.033,64 1.96,65 4.908,66 28.64,67 21.498,68 4.007,70 23.919,71 4.1}
{0 CHEMBL2001547,4 16.265,7 88.23,8 62.349,12 3,13 9.963,14 9.963,16 4,22 40.709,25 6,27 0.898,28 2.27,29 139.746,30 0.561,31 12.891,32 1.048,33 4.844,34 46.347,35 3,36 0.324,37 4.778,38 4.778,40 7.089,41 7.089,42 1,43 18.572,44 4.163,45 19.925,46 3.771,47 1,48 26.007,49 0.724,50 17.398,51 5.004,52 13.362,53 5.393,54 24.107,55 2,56 22.214,57 27.912,58 2,59 1.839,61 1,62 1.332,63 1,64 3.141,65 32.652,66 29.823,67 22.851,68 5.156,69 0.8,70 25.342,71 5.1}
{0 CHEMBL2001646,4 24.325,6 1,7 63.49,8 85.09,11 0.4,12 8,13 10.297,14 10.297,16 6,18 1,20 -0.972,22 43.076,23 1,25 5,26 1.914,27 0.405,28 3.915,29 78.828,30 0.783,31 13.152,32 0.986,33 4.949,34 4.901,36 0.218,37 4.856,38 4.856,39 1,40 7.249,41 7.249,43 18.789,44 4.629,45 20.693,46 3.831,48 26.277,49 1.007,50 17.59,51 5.242,52 13.579,53 5.49,54 24.356,56 22.442,57 28.204,59 1.943,62 1.572,63 1,64 3.165,65 39.556,66 30.138,67 23.249,68 5.308,69 2.873,70 25.791,71 5.6}
{0 CHEMBL2001668,4 8.668,6 1,7 50.16,8 28.778,13 8.735,14 8.735,16 1,20 0.75,22 14.206,23 1,25 5,26 1.532,27 0.221,28 1.557,29 41.93,30 0.108,31 12.187,32 0.977,33 4.727,34 27.818,36 0.185,37 4.56,38 4.56,40 6.708,41 6.708,42 1,43 17.508,44 3.042,45 17.967,46 3.736,47 1,48 25.046,49 0.151,50 16.368,51 4.19,52 12.659,53 5.196,54 23.179,55 2,56 21.319,57 26.917,59 1.166,61 1,62 0.804,63 1,64 2.757,65 7.822,66 28.791,67 21.583,68 4.369,69 2.86,70 23.993,71 5.1}
{0 CHEMBL2001751,3 2,4 16.112,7 109.93,8 271.773,12 2,13 10.301,14 10.301,15 6.386,16 6,18 1,19 1,20 0.406,22 45.926,25 7,27 0.3,28 2.983,29 95.335,30 0.372,31 12.915,32 0.985,33 5.778,34 31.135,35 1,36 0.185,37 4.561,38 4.561,39 1,40 6.746,41 6.746,43 18.054,44 4.14,45 17.977,46 3.843,48 25.603,49 0.784,50 16.929,51 4.963,52 13.37,53 5.276,54 23.746,56 21.895,57 27.467,59 1.819,60 1,62 1.586,64 3.016,65 24.961,66 29.335,67 22.158,68 5.112,69 2.117,70 24.555,71 5.6}
{0 CHEMBL2001920,4 14.277,7 126.05,8 72.525,11 1.058,13 8.895,14 8.895,16 1,17 0.524,20 0.523,22 55.363,25 3,27 0.244,28 2.295,29 95.482,30 0.168,31 12.427,32 0.84,33 5.476,35 2,36 0.207,37 4.659,38 4.659,40 6.984,41 6.984,42 1,43 18.028,44 2.645,45 19.3,46 3.869,48 25.485,49 0.109,50 16.851,51 4.317,52 12.845,53 5.4,54 23.579,56 21.681,57 27.397,59 1.165,61 1,62 0.312,64 3.512,65 20.284,66 29.314,67 22.325,68 4.62,69 8.638,70 24.817,71 5.2}
{0 CHEMBL2001923,4 44.122,6 1,7 88.17,8 112.393,11 0.86,12 6,13 10.283,14 10.283,16 10,17 0.8,18 1,20 -0.237,22 91.612,23 1,25 11,26 1.816,27 0.882,28 4.61,29 108.811,30 0.836,31 13.305,32 1.004,33 4.949,34 58.796,36 0.495,37 4.694,38 4.694,39 2,40 6.864,41 6.864,43 18.441,44 4.562,45 18.887,46 3.902,48 26.019,49 1.004,50 17.313,51 5.472,52 13.706,53 5.351,54 24.163,56 22.313,57 27.88,59 2.005,62 1.682,64 3.284,65 41.22,66 29.747,67 22.546,68 5.515,69 2.117,70 24.96,71 5.1}
{0 CHEMBL2001957,4 17.082,7 97.46,8 74.865,11 0.4,12 2,13 10.767,14 10.767,16 3,18 1,22 35.704,25 4,27 1.295,28 2.28,29 180.666,30 1.03,31 12.925,32 0.976,33 4.844,34 36.202,35 1,36 1.18,37 4.767,38 4.767,39 1,40 7.065,41 7.065,43 18.765,44 4.207,45 19.76,46 3.776,47 1,48 26.172,49 0.73,50 17.596,51 5.043,52 13.44,53 5.383,54 24.273,55 3,56 22.38,57 28.076,58 3,59 1.861,62 1.349,63 1,64 3.228,65 172.284,66 29.983,67 22.986,68 5.215,69 4.53,70 25.453,71 5.1}
{0 CHEMBL2001998,4 29.185,7 110.17,8 144.846,11 0.86,12 7,13 9.462,14 9.462,16 8,17 0.8,18 1,20 0.001,22 50.722,25 7,27 0.564,28 3.212,29 100.653,30 0.439,31 12.864,32 1.145,33 5.476,34 7.033,35 3,36 0.371,37 4.66,38 4.66,39 1,40 6.933,41 6.933,43 18.164,44 3.98,45 19.269,46 3.772,48 25.64,49 0.845,50 17.006,51 4.984,52 13.196,53 5.373,54 23.764,55 1,56 21.897,57 27.523,58 1,59 1.783,62 1.54,63 2,64 3.448,65 26.626,66 29.412,67 22.342,68 4.89,69 4.069,70 24.8,71 5.1}
{0 CHEMBL2002165,4 21.644,5 2,6 1,7 146.33,8 179.984,12 5,13 9.671,14 9.671,15 6.286,16 4,19 3,20 -0.469,22 70.683,23 1,24 1.568,25 5,26 1.701,27 0.503,28 3.312,29 149.134,30 0.401,31 12.916,32 1.022,33 5.352,34 45.852,36 0.329,37 4.748,38 4.748,40 7.013,41 7.013,43 18.185,44 4.106,45 19.548,46 3.879,48 25.738,49 0.699,50 17.029,51 4.997,52 13.375,53 5.396,54 23.851,56 21.974,57 27.633,59 1.897,60 1,62 1.515,64 2.947,65 33.076,66 29.536,67 22.513,68 5.198,69 2.912,70 24.996,71 5.1}
{0 CHEMBL2002240,3 2,4 11.616,7 91.8,10 2,11 0.149,12 3,13 9.147,14 9.147,15 5.945,16 5,19 1,20 -0.244,22 24.063,23 2,25 2,27 0.226,28 1.671,29 105.887,30 0.178,31 12.379,32 1.119,34 2.328,36 0.103,37 4.56,38 4.56,40 6.689,41 6.689,42 1,43 17.48,44 3.546,45 17.994,46 3.475,48 25.132,49 0.366,50 16.365,51 4.466,52 12.983,53 5.185,54 23.277,56 21.429,57 26.992,59 1.556,61 1,62 1.183,63 2,64 3.112,65 14.661,66 28.856,67 21.636,68 4.796,69 4.069,70 24.034,71 5.1}
{0 CHEMBL2002322,1 1,3 2,4 11.734,7 84.22,8 52.746,11 0.98,12 1,13 11.446,14 11.446,15 5.182,16 1,19 1,20 -0.753,22 53.402,24 0.952,25 5,27 1.635,28 2.35,29 164.588,30 1.336,31 12.728,32 1.788,33 4.727,34 2.104,36 1.435,37 4.663,38 4.663,40 7.188,41 7.188,42 1,43 18.988,44 3.355,45 19.343,46 3.511,48 26.494,49 0.288,50 17.796,51 4.754,52 13.367,53 5.414,54 24.555,56 22.62,57 28.436,58 1,59 1.532,60 2,61 1,62 0.965,64 3.519,65 272.107,66 30.381,67 23.116,68 5.13,69 5.335,70 25.586,71 5.1}
{0 CHEMBL2002323,3 2,4 7.215,7 56.21,8 36.19,13 9.673,14 9.673,15 5.687,16 3,19 2,22 22.292,25 4,27 0.262,28 1.313,29 81.183,30 0.353,31 12.218,32 1.097,33 4.727,34 26.731,36 0.164,37 4.571,38 4.571,40 6.572,41 6.572,42 1,43 17.409,44 2.843,45 17.159,46 3.277,48 25.043,49 0.263,50 16.295,51 4.159,52 12.829,53 5.129,54 23.188,55 2,56 21.338,57 26.902,59 1.415,61 1,62 0.925,64 2.422,65 12.072,66 28.764,67 21.475,68 4.691,70 23.842,71 5.1}
{0 CHEMBL2002346,4 9.712,7 66.49,8 45.429,12 2,13 8.011,14 8.011,16 5,22 17.85,23 2,25 3,27 0.182,28 1.66,29 50.357,30 0.161,31 12.302,32 0.932,33 4.727,34 14.099,36 0.142,37 4.594,38 4.594,40 6.71,41 6.71,42 1,43 17.342,44 3.416,45 18.062,46 3.723,48 24.972,49 0.488,50 16.224,51 4.344,52 12.829,53 5.212,54 23.11,55 1,56 21.256,57 26.84,59 1.64,61 1,62 1.062,64 2.607,65 14.755,66 28.715,67 21.561,68 4.559,69 1.315,70 23.973,71 5.8}
{0 CHEMBL2002373,2 1,4 5.822,6 1,7 50.94,8 56.613,12 1,13 8.082,14 8.082,16 5,22 16.525,23 1,25 7,26 2.091,27 0.216,28 1.63,29 76.254,30 0.123,31 12.245,32 0.999,33 4.727,34 2.757,36 0.138,37 4.587,38 4.587,40 6.906,41 6.906,42 1,43 17.624,44 3.673,45 18.81,46 3.626,47 1,48 25.263,49 0.4,50 16.467,51 4.277,52 12.634,53 5.231,54 23.359,55 1,56 21.461,57 27.172,58 1,59 1.543,61 1,62 1.062,64 2.31,65 16.915,66 29.085,67 22.086,68 4.227,70 24.561,71 5.1}
{0 CHEMBL2002407,3 1,4 13.177,7 131.74,8 64.057,10 1,11 0.86,13 8.779,14 8.779,15 5.549,16 4,18 1,19 1,20 0.198,22 19.885,23 3,25 4,27 0.375,28 1.035,29 165.362,30 0.308,31 12.139,32 1.306,33 4.727,34 5.085,36 0.228,37 4.537,38 4.537,39 1,40 6.674,41 6.674,42 1,43 17.358,44 3.131,45 17.801,46 3.406,48 25.054,49 0.168,50 16.248,51 3.932,52 12.888,53 5.108,54 23.199,56 21.35,57 26.913,58 1,59 1.515,61 1,62 1.109,63 1,64 3.132,65 29.42,66 28.777,67 21.509,68 4.543,69 4.069,70 23.894,71 5.1}
{0 CHEMBL2002446,4 26.301,7 72.63,8 216.539,11 0.8,12 3,13 9.524,14 9.524,16 5,17 0.68,22 81.394,24 1.684,25 8,27 0.321,28 3.748,29 27.663,30 0.178,31 12.906,32 1.064,33 6.33,34 49.947,36 0.266,37 4.663,38 4.663,39 1,40 6.933,41 6.933,43 18.175,44 4.125,45 19.287,46 3.779,48 25.595,49 0.825,50 17.018,51 4.99,52 13.217,53 5.414,54 23.719,56 21.853,57 27.479,59 1.717,62 1.499,64 3.02,65 21.759,66 29.37,67 22.326,68 4.89,69 2.837,70 24.788,71 5.1}
{0 CHEMBL2002479,3 2,4 25.806,7 102.41,8 146.386,10 1,11 0.473,12 2,13 9.588,14 9.588,15 5.557,16 6,17 0.4,18 1,20 -0.083,22 51.858,23 1,25 7,27 0.516,28 2.65,29 134.484,30 0.375,31 12.824,32 1.069,33 5.416,34 4.836,35 1,36 0.351,37 4.577,38 4.577,39 1,40 6.813,41 6.813,42 1,43 17.965,44 4.018,45 18.644,46 3.78,48 25.481,49 0.708,50 16.833,51 4.934,52 13.252,53 5.278,54 23.621,55 1,56 21.769,57 27.348,59 1.81,61 1,62 1.4,64 3.083,65 28.611,66 29.22,67 22.076,68 5.085,69 2.162,70 24.496,71 5.1}
{0 CHEMBL2002553,4 6.86,7 111.55,8 26.093,13 8.557,14 8.557,16 5,20 -1.192,22 40.794,23 4,24 1.134,27 0.525,28 1.103,29 142.273,30 0.238,31 12.001,33 4.727,36 0.272,37 4.674,38 4.674,40 6.875,41 6.875,43 17.66,44 1.313,45 18.73,46 3.094,48 25.271,50 16.499,51 3.761,52 12.691,53 5.252,54 23.372,56 21.479,57 27.174,58 1,59 1.087,61 1,62 0.434,63 1,64 2.378,65 45.535,66 29.08,67 21.909,68 4.543,69 2.873,70 24.364,71 5.1}
{0 CHEMBL2002682,4 24.271,7 98.6,8 100.608,11 0.86,12 8,13 10.692,14 10.692,15 5.432,16 3,17 0.86,18 1,20 -0.175,22 71.053,25 5,27 0.362,28 3.826,29 130.19,30 0.628,31 13.025,32 1.058,33 4.844,34 4.901,36 0.331,37 4.758,38 4.758,39 3,40 7.026,41 7.026,43 18.489,44 4.547,45 19.769,46 3.952,48 26.08,49 1.005,50 17.324,51 5.088,52 13.485,53 5.406,54 24.18,56 22.285,57 27.985,59 1.885,62 1.667,64 3.166,65 37.044,66 29.894,67 22.845,68 5.239,69 2.117,70 25.32,71 5.1}
{0 CHEMBL2002702,4 12.37,7 48.65,8 76.722,13 8.959,14 8.959,16 1,20 0.679,22 22.532,25 2,27 0.127,28 1.414,29 25.145,30 0.142,31 12.254,32 0.92,33 5.476,34 5.513,35 1,36 0.086,37 4.542,38 4.542,40 6.731,41 6.731,42 1,43 17.617,44 3.169,45 17.896,46 3.378,48 25.11,49 0.265,50 16.481,51 4.094,52 12.763,53 5.215,54 23.242,56 21.381,57 26.982,59 1.579,61 1,62 0.979,64 2.751,65 10.151,66 28.859,67 21.691,68 4.527,69 2.117,70 24.099,71 5.1}
{0 CHEMBL2002726,3 2,4 11.017,7 76.82,8 66.035,12 2,13 8.979,14 8.979,15 6.214,16 4,18 1,19 2,22 29.401,25 7,27 0.244,28 2.103,29 77.346,30 0.274,31 12.403,32 0.978,33 4.727,34 2.757,36 0.115,37 4.558,38 4.558,39 1,40 6.522,41 6.522,42 1,43 17.254,44 3.746,45 16.757,46 3.794,48 24.887,49 0.733,50 16.168,51 4.431,52 12.935,53 5.149,54 23.061,56 21.243,57 26.718,59 1.772,60 1,61 1,62 1.222,64 2.815,65 18.259,66 28.555,67 21.228,68 4.745,69 1.72,70 23.563,71 5.1}
{0 CHEMBL2002992,4 12.427,5 1,7 83.8,8 45.061,12 1,13 8.689,14 8.689,15 5.952,16 3,19 2,20 0.117,22 21.888,23 1,25 3,27 0.359,28 2.148,29 74.828,30 0.214,31 12.179,32 0.959,33 4.595,34 11.771,36 0.159,37 4.516,38 4.516,40 6.525,41 6.525,42 1,43 17.155,44 3.494,45 17.146,46 3.47,48 24.91,49 0.637,50 16.073,51 4.174,52 12.617,53 5.088,54 23.078,56 21.25,57 26.746,58 1,59 1.692,60 2,61 1,62 1.185,64 2.782,65 21.461,66 28.585,67 21.22,68 4.443,69 3.306,70 23.558,71 5.1}
{0 CHEMBL2003271,1 1,3 2,4 14.113,7 100.43,8 50.849,13 8.853,14 8.853,15 5.427,16 1,19 1,20 -1.07,22 61.808,23 1,24 1.141,25 3,27 0.52,28 2.832,29 200.633,30 0.559,31 12.579,32 1.057,33 4.844,34 2.104,36 0.276,37 4.751,38 4.751,40 7.014,41 7.014,43 18.149,44 3.628,45 19.386,46 3.91,48 25.658,49 0.218,50 16.974,51 4.585,52 13.134,53 5.395,54 23.761,56 21.872,57 27.562,58 1,59 1.477,60 1,61 1,62 0.918,64 3.398,65 33.765,66 29.471,67 22.424,68 4.987,69 2.117,70 24.916,71 5.1}
{0 CHEMBL2003286,4 10.216,7 107.63,8 47.816,11 0.86,13 8.667,14 8.667,16 2,17 0.508,18 1,20 -0.471,22 49.974,25 4,27 0.434,28 1.158,29 103.973,30 0.403,31 11.851,32 1.47,33 4.727,34 3.07,36 0.324,37 4.322,38 4.322,39 1,40 6.165,41 6.165,42 1,43 16.698,44 2.604,45 15.413,46 3.146,48 24.308,49 0.154,50 15.64,51 3.611,52 12.467,53 5.002,54 22.515,56 20.727,57 26.104,59 1.405,61 1,62 0.732,63 1,64 3.137,65 27.997,66 27.902,67 20.389,68 4.35,69 8.335,70 22.65,71 5.1}
{0 CHEMBL2003341,4 11.666,7 62.22,13 9.076,14 9.076,16 3,20 -0.29,22 24.448,25 3,27 0.366,28 1.952,29 162.911,30 0.412,31 12.265,32 0.985,35 1,36 0.191,37 4.297,38 4.297,40 6.244,41 6.244,42 1,43 16.953,44 3.597,45 15.916,46 3.7,48 24.733,49 0.254,50 15.906,51 4.277,52 12.784,53 4.993,54 22.932,56 21.136,57 26.537,59 1.654,61 1,62 1.062,64 2.86,65 25.456,66 28.344,67 20.882,68 4.605,69 2.162,70 23.159,71 5.1}
{0 CHEMBL2003420,4 20.734,7 108.04,11 0.564,12 2,13 7.026,14 7.026,16 4,17 0.564,20 -0.341,22 33.484,23 2,25 2,27 0.53,28 1.569,29 83.861,30 0.339,31 11.614,32 0.938,34 8.552,36 0.401,37 3.91,38 3.91,40 5.363,41 5.363,42 1,43 14.939,44 3.697,45 12.055,46 3.64,48 22.874,49 0.694,50 14.11,51 3.611,52 12.15,53 4.58,54 21.22,56 19.571,57 24.53,58 2,59 1.816,61 1,62 1.371,64 2.721,65 37.498,66 26.188,67 18.377,68 3.951,69 2.921,70 20.424,71 5.1}
{0 CHEMBL2003456,4 9.679,7 61.54,8 30.908,12 1,13 8.704,14 8.704,16 1,20 -0.229,22 15.732,25 2,27 0.151,28 1.09,29 41.93,30 0.091,31 11.981,32 0.846,33 4.727,34 6.604,36 0.172,37 4.392,38 4.392,40 6.325,41 6.325,42 1,43 16.866,44 2.483,45 16.159,46 3.297,48 24.441,49 0.218,50 15.783,51 3.97,52 12.43,53 5.06,54 22.624,56 20.811,57 26.261,59 1.144,61 1,62 0.76,63 1,64 2.61,65 12.424,66 28.084,67 20.75,68 4.205,69 2.912,70 23.053,71 5.1}
{0 CHEMBL200348,4 13.491,7 86.46,8 79.799,11 0.172,12 4,13 8.296,14 8.296,16 4,20 -0.285,22 59.395,24 1.377,25 7,27 0.335,28 2.331,29 52.808,30 0.374,31 12.202,32 1.294,33 5.416,34 4.115,36 0.304,37 4.61,38 4.61,39 1,40 6.607,41 6.607,42 1,43 17.366,44 3.317,45 17.436,46 3.505,48 24.853,49 0.614,50 16.241,51 4.22,52 12.641,53 5.258,54 23.005,55 1,56 21.164,57 26.706,59 1.55,61 1,62 1.244,63 1,64 2.791,65 21.999,66 28.563,67 21.348,68 4.46,69 3.349,70 23.728,71 4}
{0 CHEMBL2003482,4 15.894,7 57.78,8 85.725,13 7.522,14 7.522,16 3,20 -0.041,21 1,22 29.799,23 1,25 3,27 0.28,28 1.504,29 80.957,30 0.266,31 12.052,32 0.896,33 5.352,36 0.129,37 4.427,38 4.427,40 6.54,41 6.54,42 1,43 17.025,44 3.107,45 17.057,46 3.531,48 24.602,49 0.347,50 15.929,51 3.932,52 12.539,53 5.102,54 22.764,56 20.934,57 26.447,59 1.584,61 1,62 0.992,64 2.943,65 14.3,66 28.298,67 21.052,68 4.388,69 3.497,70 23.412,71 5.1}
{0 CHEMBL2003524,4 16.423,7 81.28,8 35.656,11 0.86,13 9.657,14 9.657,16 6,17 0.8,18 2,20 -0.885,22 36.276,25 9,27 0.395,28 1.796,29 89.075,30 0.782,31 12.672,32 0.885,33 4.844,36 0.395,37 4.769,38 4.769,39 2,40 7.048,41 7.048,42 1,43 18.32,44 3.235,45 19.761,46 3.402,48 25.765,49 0.477,50 17.13,51 4.745,52 13.078,53 5.405,54 23.86,56 21.962,57 27.675,58 2,59 1.598,61 1,62 1.094,63 2,64 3.239,65 32.148,66 29.59,67 22.597,68 4.89,69 2.4,70 25.097,71 5.1}
{0 CHEMBL2003638,4 17.529,6 1,7 88.49,8 155.424,12 5,13 9.133,14 9.133,16 5,20 -0.427,21 1,22 35.29,23 1,25 11,26 1.775,27 0.473,28 2.189,29 89.972,30 0.448,31 12.675,32 0.971,33 5.352,34 26.731,36 0.227,37 4.578,38 4.578,40 6.577,41 6.577,42 1,43 17.558,44 3.816,45 17.294,46 3.868,48 25.167,49 0.549,50 16.466,51 4.745,52 13.195,53 5.154,54 23.339,55 1,56 21.518,57 27,58 1,59 1.745,61 1,62 1.321,64 2.961,65 15.918,66 28.837,67 21.547,68 4.997,69 2.117,70 23.894,71 5.5}
{0 CHEMBL2003657,3 1,4 7.701,5 1,6 1,7 131.9,8 196.686,10 2,12 10,13 12.06,14 12.06,15 5.976,16 6,19 2,22 58.471,23 2,24 1.478,25 16,26 1.097,27 0.917,28 3.785,29 125.741,30 0.604,31 13.135,32 1.147,33 5.861,34 43.403,36 0.455,37 5.021,38 5.021,40 7.765,41 7.765,43 19.488,44 4.158,45 22.432,46 3.958,47 2,48 27.007,49 0.581,50 18.24,51 5.118,52 13.788,53 5.665,54 25.007,55 5,56 23.016,57 29.013,58 2,59 1.72,62 1.303,63 2,64 3.105,65 51.987,66 31.026,67 24.067,68 5.539,70 26.692,71 5.1}
{0 CHEMBL2003768,4 22.338,7 96.53,11 0.795,12 3,13 9.163,14 9.163,16 9,17 0.6,18 2,20 -0.027,22 24.048,23 2,25 3,27 0.566,28 1.423,29 157.723,30 0.507,31 12.417,32 0.787,36 0.329,37 4.675,38 4.675,39 2,40 6.95,41 6.95,42 1,43 18.048,44 3.579,45 19.621,46 3.712,48 25.467,49 0.577,50 16.882,51 4.263,52 13.009,53 5.291,54 23.57,56 21.682,57 27.37,58 1,59 1.566,61 1,62 1.062,63 3,64 2.693,65 26.257,66 29.278,67 22.164,68 4.635,69 1.72,70 24.652,71 5.1}
{0 CHEMBL2003817,4 16.178,7 79.8,11 0.247,12 3,13 10.203,14 10.203,16 3,20 -0.595,22 17.263,23 2,25 2,27 0.862,28 1.35,29 120.382,30 0.688,31 12.323,32 1.073,34 6.604,35 1,36 0.883,37 4.584,38 4.584,40 7.121,41 7.121,42 1,43 18.28,44 3.145,45 18.84,46 3.589,48 25.837,49 0.245,50 17.105,51 4.331,52 12.988,53 5.285,54 23.911,56 21.991,57 27.768,58 1,59 1.537,61 1,62 0.996,63 1,64 3.034,65 133.029,66 29.703,67 22.405,68 4.771,69 5.335,70 24.857,71 5.1}
{0 CHEMBL2004072,4 4.892,7 67.43,8 37.543,12 2,13 8.767,14 8.767,16 1,20 -0.378,22 58.638,24 1.312,25 7,27 0.317,28 1.999,29 67.89,30 0.247,31 12.32,32 0.922,33 4.727,34 17.064,36 0.298,37 4.631,38 4.631,39 1,40 6.732,41 6.732,42 1,43 17.545,44 3.008,45 18.241,46 3.475,48 25.125,49 0.262,50 16.412,51 4.382,52 12.86,53 5.277,54 23.261,55 1,56 21.403,57 26.995,58 2,59 1.393,61 1,62 1.009,64 2.885,65 24.637,66 28.869,67 21.711,68 4.677,69 3.349,70 24.129,71 5.1}
{0 CHEMBL2004290,4 25.408,5 2,6 1,7 155.56,8 195.132,11 0.247,12 7,13 10.22,14 10.22,15 6.33,16 6,18 1,19 3,20 -0.341,22 66.805,23 1,24 1.59,25 8,26 1.725,27 0.456,28 3.462,29 145.174,30 0.468,31 12.972,32 1.153,33 5.352,34 30.892,35 1,36 0.344,37 4.748,38 4.748,39 1,40 7.013,41 7.013,43 18.48,44 4.186,45 19.549,46 3.882,48 25.935,49 0.706,50 17.325,51 5.037,52 13.485,53 5.397,54 24.052,56 22.176,57 27.825,59 1.918,60 1,62 1.534,64 3.322,65 36.785,66 29.722,67 22.689,68 5.293,69 2.912,70 25.15,71 5.1}
{0 CHEMBL2004355,3 2,4 19.519,7 169.57,9 1,10 3,11 0.86,12 3,13 10.156,14 10.156,15 10.803,16 5,17 0.473,18 1,19 2,20 -0.516,22 29.653,23 3,25 5,27 0.669,28 1.681,29 192.491,30 0.738,31 12.297,32 0.748,34 4.815,35 2,36 0.523,37 4.801,38 4.801,39 1,40 7.111,41 7.111,42 1,43 18.285,44 3.519,45 18.545,46 3.742,48 25.876,49 0.35,50 17.118,51 4.234,52 13.301,53 5.282,54 23.958,55 2,56 22.046,57 27.8,59 1.691,60 2,61 1,62 1.245,63 2,64 3.569,65 84.396,66 29.728,67 22.385,68 5.112,69 4.069,70 24.825,71 5.1}
{0 CHEMBL2004365,3 4,4 20.652,7 202.13,8 221.194,10 4,11 1.36,12 5,13 10.624,14 10.624,15 12.096,16 7,17 1.197,19 4,20 -0.931,22 130.056,23 4,24 2.846,25 7,27 0.689,28 3.935,29 152.229,30 0.891,31 13.031,32 1.064,33 5.687,34 26.259,36 0.413,37 4.764,38 4.764,39 1,40 7.308,41 7.308,42 1,43 18.85,44 4.17,45 21.094,46 4.042,48 26.296,49 0.647,50 17.629,51 5.1,52 13.294,53 5.596,54 24.359,55 2,56 22.43,57 28.238,58 5,59 1.588,60 2,62 1.325,63 3,64 3.603,65 40.283,66 30.186,67 23.32,68 4.913,69 6.301,70 25.888,71 5.1}
{0 CHEMBL2004419,3 1,4 9.117,5 1,6 1,7 89.38,8 186.88,12 4,13 11.29,14 11.29,15 6.082,16 6,19 2,22 69.697,24 1.485,25 11,26 1.843,27 0.533,28 3.135,29 96.388,30 0.515,31 13.043,32 1.33,33 5.861,34 58.363,36 0.26,37 4.775,38 4.775,40 7.033,41 7.033,43 18.608,44 4.108,45 19.466,46 3.847,47 2,48 26.053,49 0.611,50 17.426,51 5.124,52 13.469,53 5.451,54 24.148,55 2,56 22.25,57 27.963,58 2,59 1.721,62 1.266,64 2.907,65 21.562,66 29.878,67 22.899,68 5.278,70 25.392,71 5.1}
{0 CHEMBL2004438,4 19.34,7 92.93,10 1,11 0.247,12 1,13 10.897,14 10.897,15 6.236,16 1,19 3,20 -0.66,22 26.391,23 1,25 3,27 0.751,28 2.055,29 136.494,30 0.878,31 12.644,32 0.856,34 4.276,36 0.863,37 4.597,38 4.597,40 7.116,41 7.116,42 1,43 18.461,44 3.634,45 19.097,46 3.805,48 26.047,49 0.352,50 17.294,51 4.625,52 13.279,53 5.25,54 24.13,56 22.22,57 27.969,59 1.631,60 2,61 1,62 1.325,64 3.2,65 136.417,66 29.896,67 22.603,68 5.066,69 5.335,70 25.053,71 5.1}
{0 CHEMBL2004447,4 17.673,7 87.72,8 45.816,10 2,11 1.041,13 11.275,14 11.275,15 5.859,16 4,18 1,19 2,20 0.148,22 31.064,23 2,25 4,27 0.57,28 1.959,29 106.58,30 0.326,31 12.756,32 0.918,33 4.727,34 22.531,36 0.2,37 4.739,38 4.739,39 1,40 7.399,41 7.399,42 1,43 18.991,44 3.674,45 21.079,46 3.575,48 26.454,49 0.469,50 17.764,51 4.745,52 13.196,53 5.583,54 24.494,55 1,56 22.54,57 28.418,58 1,59 1.531,60 1,61 1,62 1.239,63 1,64 3.43,65 27.419,66 30.387,67 23.412,68 4.808,69 4.525,70 25.977,71 5.1}
{0 CHEMBL2004513,4 18.227,7 74.95,11 0.4,12 3,13 10.167,14 10.167,16 3,20 -0.572,22 32.909,23 1,25 5,27 0.355,28 2.157,29 61.29,30 0.286,31 12.605,32 0.997,33 2.708,36 0.262,37 4.514,38 4.514,39 1,40 6.678,41 6.678,42 1,43 17.741,44 3.692,45 17.9,46 3.686,48 25.452,49 0.363,50 16.624,51 4.745,52 13.035,53 5.178,54 23.592,55 1,56 21.737,57 27.316,59 1.602,61 1,62 1.193,64 2.956,65 25.603,66 29.183,67 21.939,68 4.783,69 3.349,70 24.327,71 5.1}
{0 CHEMBL2004544,4 21.63,7 113.47,8 58.94,11 0.657,12 8,13 10.575,14 10.575,16 2,17 0.532,18 2,22 31.882,25 8,27 0.635,28 2.515,29 148.092,30 0.629,31 12.673,32 0.868,33 4.595,34 23.542,35 1,36 0.687,37 4.904,38 4.904,39 2,40 7.315,41 7.315,42 1,43 18.727,44 3.59,45 20.51,46 3.897,48 26.252,49 0.577,50 17.526,51 4.654,52 13.453,53 5.423,54 24.307,55 2,56 22.369,57 28.202,59 1.596,61 1,62 1.153,64 3.248,65 92.446,66 30.158,67 23.048,68 5.27,69 5.85,70 25.571,71 6}
{0 CHEMBL2004615,1 1,3 1,4 12.596,6 1,7 125.12,8 46.253,10 4,13 8.742,14 8.742,15 11.135,16 7,19 3,20 -0.589,21 1,22 45.888,23 4,25 4,26 1.409,27 0.402,28 1.241,29 124.388,30 0.247,31 12.105,32 0.917,33 4.844,34 3.45,36 0.201,37 4.627,38 4.627,40 6.91,41 6.91,42 1,43 17.784,44 2.878,45 18.883,46 3.474,48 25.338,49 0.06,50 16.614,51 3.871,52 12.644,53 5.258,54 23.436,55 1,56 21.538,57 27.246,58 1,59 1.421,61 1,62 0.927,63 2,64 3.081,65 21.913,66 29.156,67 22.043,68 4.388,69 5.9,70 24.507,71 5.1}
{0 CHEMBL2004647,4 19.435,7 98.58,8 56.634,11 0.4,13 10.036,14 10.036,16 5,20 -1.215,22 23.698,23 4,25 5,27 0.804,28 2.189,29 144.083,30 0.545,31 12.617,32 0.928,33 4.595,34 2.328,35 1,36 0.379,37 4.736,38 4.736,40 6.99,41 6.99,42 1,43 18.196,44 3.522,45 19.484,46 3.734,48 25.768,49 0.625,50 17.026,51 4.615,52 13.051,53 5.345,54 23.872,55 2,56 21.981,57 27.669,58 1,59 1.591,61 1,62 1.138,63 2,64 3.056,65 44.647,66 29.575,67 22.421,68 4.89,69 2.873,70 24.899,71 5.1}
{0 CHEMBL2004692,3 1,4 12.198,5 1,6 1,7 165.35,8 239.865,9 1,10 1,12 2,13 9.299,14 9.299,15 5.76,16 1,20 -0.525,22 50.696,23 3,24 1.502,25 6,26 1.305,27 0.579,28 1.512,29 157.063,30 0.757,31 12.576,32 0.821,33 5.687,34 20.542,35 1,36 0.31,37 4.651,38 4.651,40 7.009,41 7.009,42 1,43 18.004,44 3.56,45 19.471,46 3.762,48 25.619,49 0.38,50 16.839,51 4.554,52 13.038,53 5.333,54 23.716,55 3,56 21.82,57 27.528,58 1,59 1.597,61 1,62 1.228,63 6,64 2.74,65 17.819,66 29.442,67 22.439,68 4.677,69 1.96,70 24.931,71 5.1}
{0 CHEMBL2004771,4 17.232,7 67.16,8 109.817,11 0.4,12 4,13 9.498,14 9.498,16 3,20 -0.004,22 33.881,25 6,27 0.218,28 2.164,29 51.438,30 0.144,31 12.649,32 1.017,33 5.416,34 4.836,36 0.22,37 4.543,38 4.543,40 6.792,41 6.792,42 1,43 17.82,44 3.483,45 18.516,46 3.757,48 25.411,49 0.366,50 16.696,51 4.673,52 13.127,53 5.248,54 23.547,55 1,56 21.69,57 27.281,59 1.658,61 1,62 1.097,64 3.011,65 16.367,66 29.155,67 21.987,68 4.902,69 2.162,70 24.398,71 5.1}
{0 CHEMBL2004871,2 1,4 7.449,6 1,7 50.94,8 60.697,13 8.121,14 8.121,16 5,22 25.646,23 1,25 7,26 2.004,27 0.32,28 1.653,29 91.215,30 0.249,31 12.306,32 1.056,33 4.727,34 17.717,36 0.174,37 4.589,38 4.589,40 6.906,41 6.906,42 1,43 17.646,44 3.669,45 18.814,46 3.635,47 1,48 25.278,49 0.358,50 16.492,51 4.357,52 12.719,53 5.232,54 23.379,55 1,56 21.486,57 27.184,58 1,59 1.543,61 1,62 1.062,64 2.466,65 21.808,66 29.094,67 22.091,68 4.407,70 24.564,71 5.1}
{0 CHEMBL2004872,4 13.021,7 64.11,11 0.473,12 4,13 8.928,14 8.928,16 6,18 1,20 -0.121,22 22.262,25 6,27 0.184,28 1.663,29 69.716,30 0.329,31 12.17,32 0.916,35 1,36 0.196,37 4.29,38 4.29,39 1,40 6.185,41 6.185,42 1,43 16.793,44 3.59,45 15.639,46 3.673,48 24.634,49 0.57,50 15.758,51 4.174,52 12.703,53 5.005,54 22.839,55 1,56 21.047,57 26.433,59 1.679,61 1,62 1.062,64 2.843,65 22.988,66 28.233,67 20.7,68 4.46,69 2.162,70 22.955,71 5.1}
{0 CHEMBL2004892,4 8.035,7 109.25,8 49.725,12 4,13 10.189,14 10.189,15 5.798,16 1,19 2,22 16.173,25 2,27 0.239,28 1.731,29 93.873,30 0.19,31 12.277,32 1.121,33 4.727,34 4.472,36 0.315,37 4.644,38 4.644,40 6.521,41 6.521,42 1,43 17.836,44 3.12,45 16.756,46 3.788,48 25.241,49 0.341,50 16.714,51 4.248,52 13.213,53 5.098,54 23.393,55 1,56 21.548,57 27.092,59 1.693,60 1,61 1,62 1.062,64 2.789,65 48.365,66 28.945,67 21.72,68 5.121,70 24.059,71 5.1}
{0 CHEMBL2004934,4 14.648,7 51.22,11 0.473,12 1,13 8.99,14 8.99,16 5,18 1,20 -0.333,22 31.811,25 5,27 0.256,28 1.762,29 67.89,30 0.327,31 12.293,32 1.04,34 14.96,35 1,36 0.2,37 4.413,38 4.413,39 1,40 6.474,41 6.474,42 1,43 17.164,44 3.607,45 16.831,46 3.693,48 24.944,49 0.57,50 16.093,51 4.263,52 12.821,53 5.07,54 23.121,56 21.302,57 26.771,59 1.68,61 1,62 1.068,64 3.076,65 24.086,66 28.601,67 21.174,68 4.605,69 2.162,70 23.496,71 5.1}
{0 CHEMBL2005112,4 21.112,6 2,7 96.21,8 129.301,12 6,13 11.056,14 11.056,16 12,20 0.835,21 1,22 32.632,25 16,26 2.875,27 0.458,28 2.889,29 132.336,30 0.497,31 13.121,32 0.926,33 5.533,34 2.144,36 0.224,37 4.818,38 4.818,40 7.153,41 7.153,43 18.831,44 4.089,45 20.48,46 3.976,47 1,48 26.272,49 0.569,50 17.636,51 5.159,52 13.594,53 5.437,54 24.361,55 2,56 22.456,57 28.188,58 5,59 1.714,62 1.335,63 3,64 3.361,65 16.617,66 30.109,67 23.095,68 5.286,69 4.069,70 25.61,71 5.5}
{0 CHEMBL2005375,4 35.279,7 99.69,8 92.175,11 0.86,12 6,13 9.475,14 9.475,16 5,17 0.835,18 1,20 0.016,22 52.924,23 1,25 9,27 0.607,28 4.014,29 94.861,30 0.788,31 12.999,32 0.814,33 4.443,34 4.227,35 2,36 0.414,37 4.556,38 4.556,39 1,40 7.095,41 7.095,43 18.426,44 4.438,45 20.265,46 3.721,48 25.978,49 1.096,50 17.254,51 5.081,52 13.163,53 5.394,54 24.086,55 3,56 22.203,57 27.878,59 1.774,62 1.602,63 1,64 3.207,65 34.289,66 29.784,67 22.739,68 4.913,69 3.465,70 25.244,71 8.1}
{0 CHEMBL2005475,4 5.939,7 86.02,8 107.846,12 3,13 8.726,14 8.726,16 2,20 0.03,22 60.951,24 1.453,25 4,27 0.257,28 3.043,29 41.808,30 0.193,31 12.436,32 1.231,33 5.416,34 4.115,35 1,36 0.141,37 4.653,38 4.653,40 6.746,41 6.746,42 1,43 17.627,44 3.628,45 18.236,46 3.747,48 25.154,49 0.813,50 16.491,51 4.477,52 12.859,53 5.323,54 23.291,56 21.434,57 27.023,59 1.613,61 1,62 1.376,64 2.535,65 15.901,66 28.897,67 21.742,68 4.605,69 2.117,70 24.159,71 5.1}
{0 CHEMBL2005528,4 12.088,7 71.19,8 26.267,13 8.747,14 8.747,16 3,20 -0.422,22 34.974,25 5,27 0.368,28 1.707,29 61.29,30 0.292,31 12.385,32 0.837,33 4.844,34 4.901,36 0.3,37 4.685,38 4.685,39 1,40 6.854,41 6.854,42 1,43 17.841,44 2.937,45 18.721,46 3.395,48 25.328,49 0.343,50 16.68,51 4.443,52 12.85,53 5.288,54 23.445,55 1,56 21.569,57 27.216,59 1.482,61 1,62 0.995,64 3.072,65 27.981,66 29.108,67 22.012,68 4.663,69 3.349,70 24.463,71 5.1}
{0 CHEMBL2005548,4 26.945,6 1,7 102.32,8 83.573,11 0.4,12 1,13 10.894,14 10.894,16 6,17 0.262,20 -1.488,22 42.309,23 2,25 4,26 1.171,27 0.854,28 2.215,29 181.395,30 0.566,31 12.87,32 0.915,33 4.727,34 8.907,35 2,36 0.469,37 4.658,38 4.658,39 1,40 6.951,41 6.951,43 18.648,44 4.034,45 19.623,46 3.898,48 26.035,49 0.605,50 17.489,51 4.754,52 13.488,53 5.382,54 24.146,55 3,56 22.263,57 27.928,59 1.876,62 1.28,64 3.265,65 39.758,66 29.826,67 22.702,68 5.263,69 3.872,70 25.154,71 5.1}
{0 CHEMBL2005631,4 21.624,7 137.38,8 75.094,11 0.247,12 1,13 9.345,14 9.345,15 6.109,16 3,19 3,20 -0.779,22 73.282,23 1,24 1.416,25 1,27 0.558,28 2.973,29 114.933,30 0.414,31 12.788,32 0.957,33 4.727,34 34.081,36 0.341,37 4.742,38 4.742,40 7.006,41 7.006,42 1,43 18.159,44 3.854,45 19.456,46 3.813,48 25.746,49 0.631,50 17.003,51 4.796,52 13.318,53 5.382,54 23.859,56 21.98,57 27.641,59 1.701,60 1,61 1,62 1.364,63 1,64 3.21,65 31.208,66 29.543,67 22.484,68 5.156,69 2.912,70 24.962,71 5.1}
{0 CHEMBL2005792,4 14.925,7 97.46,8 63.686,12 2,13 10.767,14 10.767,16 3,18 1,22 31.112,25 4,27 0.843,28 2.181,29 135.785,30 0.441,31 12.843,32 1.061,33 4.844,34 36.202,35 1,36 0.43,37 4.767,38 4.767,39 1,40 7.065,41 7.065,42 1,43 18.576,44 4.135,45 19.748,46 3.775,47 1,48 26.032,49 0.578,50 17.401,51 4.956,52 13.316,53 5.373,54 24.127,55 3,56 22.228,57 27.943,58 3,59 1.859,61 1,62 1.343,63 1,64 2.946,65 40.885,66 29.857,67 22.878,68 5.075,69 1.72,70 25.361,71 5.1}
{0 CHEMBL2005828,4 17.311,7 106.07,8 63.281,10 2,13 8.077,14 8.077,15 5.941,16 4,19 1,20 -0.307,22 28.654,23 2,25 3,27 0.341,28 1.821,29 101.121,30 0.21,31 12.514,32 0.834,33 4.727,34 18.375,36 0.31,37 4.666,38 4.666,40 6.884,41 6.884,42 1,43 17.708,44 3.529,45 18.662,46 3.779,48 25.316,49 0.427,50 16.571,51 4.511,52 13.068,53 5.287,54 23.436,55 2,56 21.566,57 27.204,59 1.645,60 1,61 1,62 1.224,63 1,64 2.708,65 25.318,66 29.099,67 22.026,68 4.902,69 2.912,70 24.482,71 5.1}
{0 CHEMBL200586,4 5.69,7 83.22,8 50.285,13 8.107,14 8.107,16 2,20 -0.303,22 45.474,24 1.334,25 6,27 0.284,28 1.246,29 52.808,30 0.252,31 11.859,32 1.109,33 5.416,34 4.115,36 0.289,37 4.597,38 4.597,39 1,40 6.56,41 6.56,42 1,43 17.218,44 1.769,45 17.047,46 3.23,48 24.707,49 0.026,50 16.089,51 3.689,52 12.53,53 5.232,54 22.856,55 1,56 21.009,57 26.562,59 1.352,61 1,64 2.133,65 22.697,66 28.42,67 21.137,68 4.388,69 3.349,70 23.503,71 4}
{0 CHEMBL2005886,4 32.179,7 106.27,8 68.637,11 0.8,12 3,13 10.173,14 10.173,16 5,17 0.765,20 0.701,22 45.394,23 5,25 4,27 0.632,28 3.039,29 134.762,30 0.71,31 12.861,32 0.863,33 4.727,34 13.915,36 0.348,37 4.655,38 4.655,39 1,40 6.797,41 6.797,43 18.04,44 4.214,45 18.247,46 3.799,47 1,48 25.661,49 0.825,50 16.912,51 4.942,52 13.278,53 5.308,54 23.797,56 21.94,57 27.53,59 1.872,62 1.376,63 1,64 3.206,65 30.054,66 29.403,67 22.211,68 5.056,69 2.117,70 24.62,71 5.1}
{0 CHEMBL2005899,4 16.136,7 82.86,11 0.555,12 2,13 11.342,14 11.342,16 8,20 -0.989,22 18.108,23 1,25 3,27 0.444,28 1.318,29 126.544,30 0.693,31 12.557,32 1.031,35 1,36 0.167,37 4.74,38 4.74,40 7.205,41 7.205,42 1,43 18.897,44 3.665,45 20.613,46 3.617,48 26.345,49 0.68,50 17.69,51 4.29,52 13.106,53 5.436,54 24.398,55 1,56 22.454,57 28.296,58 2,59 1.647,61 1,62 1.239,63 2,64 3.319,65 27.123,66 30.248,67 23.168,68 4.705,69 3.348,70 25.696,71 5.3}
{0 CHEMBL2005936,4 16.433,6 1,7 88.49,8 166.379,11 0.149,12 7,13 10.379,14 10.379,16 6,20 -0.035,21 1,22 33.995,23 1,25 14,26 1.934,27 0.32,28 2.604,29 75.011,30 0.349,31 12.841,32 1.066,33 5.416,34 2.757,36 0.162,37 4.637,38 4.637,40 6.914,41 6.914,43 18.089,44 4.303,45 18.916,46 3.801,48 25.679,49 0.741,50 16.944,51 4.949,52 13.263,53 5.263,54 23.794,55 1,56 21.915,57 27.571,58 1,59 1.885,62 1.448,64 3.067,65 17.92,66 29.468,67 22.418,68 4.997,69 3.306,70 24.871,71 6}
{0 CHEMBL2006010,4 18.345,7 66.91,11 0.247,12 2,13 10.945,14 10.945,16 4,20 -0.768,22 23.836,23 2,25 3,27 0.907,28 1.704,29 181.894,30 0.9,31 12.478,32 0.849,34 6.604,36 0.938,37 4.62,38 4.62,40 7.116,41 7.116,43 18.442,44 3.251,45 19.055,46 3.704,48 26.015,49 0.181,50 17.269,51 4.394,52 13.161,53 5.23,54 24.093,56 22.177,57 27.942,58 1,59 1.513,61 1,62 0.931,63 1,64 3.436,65 139.243,66 29.873,67 22.588,68 4.977,69 5.335,70 25.044,71 5.3}
{0 CHEMBL2006156,4 15.508,7 84.4,8 155.981,11 0.075,12 6,13 10.246,14 10.246,16 10,20 -0.147,22 27.732,23 1,25 5,27 0.372,28 1.705,29 77.731,30 0.319,31 12.719,32 1.139,33 5.13,34 38.716,35 1,36 0.258,37 4.603,38 4.603,40 6.737,41 6.737,43 17.92,44 4.104,45 18.222,46 3.77,48 25.621,49 0.689,50 16.796,51 4.796,52 13.144,53 5.242,54 23.753,55 1,56 21.89,57 27.493,58 2,59 1.694,61 1,62 1.491,63 2,64 2.825,65 25.625,66 29.368,67 22.133,68 4.934,69 2.972,70 24.535,71 5.5}
{0 CHEMBL2006188,3 2,4 22.508,7 89.27,11 0.473,12 3,13 8.967,14 8.967,15 5.629,16 5,17 0.4,18 1,20 -0.137,22 32.193,23 1,25 4,27 0.331,28 2.148,29 85.828,30 0.41,31 12.394,32 0.983,35 1,36 0.223,37 4.422,38 4.422,39 1,40 6.495,41 6.495,42 1,43 17.23,44 4.161,45 17.018,46 3.708,48 25.004,49 0.822,50 16.155,51 4.466,52 12.849,53 5.098,54 23.177,56 21.356,57 26.834,59 1.812,61 1,62 1.442,64 2.91,65 28.168,66 28.667,67 21.285,68 4.605,69 2.162,70 23.612,71 5.1}
{0 CHEMBL2006237,1 1,3 1,4 21.255,5 1,7 103.17,8 62.124,10 1,11 0.8,12 2,13 9.047,14 9.047,15 5.456,16 5,17 0.4,19 1,20 -0.489,22 34.76,23 2,25 5,27 0.394,28 2.571,29 91.613,30 0.33,31 12.528,32 1.155,33 4.727,34 4.472,35 2,36 0.288,37 4.623,38 4.623,40 6.694,41 6.694,42 1,43 17.56,44 3.846,45 17.909,46 3.727,47 1,48 25.154,49 0.825,50 16.445,51 4.585,52 12.961,53 5.219,54 23.307,56 21.467,57 27.008,58 1,59 1.775,60 1,61 1,62 1.437,63 1,64 2.945,65 30.931,66 28.868,67 21.65,68 4.783,69 1.96,70 24.043,71 5.1}
{0 CHEMBL2006263,3 2,4 12.483,7 106.35,12 4,13 9.592,14 9.592,15 5.581,16 4,22 16.866,23 1,25 9,27 0.381,28 2.283,29 110.781,30 0.343,31 12.384,32 1.026,35 1,36 0.283,37 4.857,38 4.857,40 7.308,41 7.308,42 1,43 18.502,44 3.423,45 19.855,46 3.717,48 26.053,49 0.563,50 17.307,51 4.357,52 13.33,53 5.383,54 24.103,55 1,56 22.161,57 28.01,58 2,59 1.569,60 2,61 1,62 1.105,64 2.69,65 47.945,66 29.973,67 22.826,68 5.198,70 25.348,71 6.7}
{0 CHEMBL2006276,4 26.994,7 82.8,11 0.4,12 2,13 9.598,14 9.598,16 4,17 0.4,18 1,20 -0.162,22 26.917,23 3,25 2,27 0.403,28 1.916,29 52.93,30 0.279,31 12.499,32 0.919,33 2.708,36 0.188,37 4.491,38 4.491,39 1,40 6.619,41 6.619,42 1,43 17.496,44 3.603,45 17.574,46 3.72,48 25.156,49 0.331,50 16.386,51 4.682,52 12.9,53 5.167,54 23.308,56 21.467,57 27.008,58 1,59 1.547,61 1,62 1.122,64 2.889,65 17.945,66 28.865,67 21.614,68 4.677,69 2.117,70 23.991,71 5.1}
{0 CHEMBL2006439,4 11.088,7 66.49,8 44.327,12 2,13 8.373,14 8.373,16 6,22 27.874,23 1,25 3,27 0.301,28 2.324,29 89.505,30 0.292,31 12.392,32 1.066,33 4.727,34 55.891,36 0.191,37 4.6,38 4.6,40 6.714,41 6.714,42 1,43 17.439,44 3.639,45 18.109,46 3.711,48 25.022,49 0.783,50 16.32,51 4.466,52 12.812,53 5.216,54 23.163,55 1,56 21.313,57 26.888,59 1.622,61 1,62 1.146,64 2.707,65 20.128,66 28.759,67 21.61,68 4.62,69 0.8,70 24.023,71 6.3}
{0 CHEMBL2006481,4 8.136,7 75.02,8 106.525,13 9.428,14 9.428,16 6,20 -0.043,22 32.628,25 8,27 0.509,28 1.888,29 71.139,30 0.315,31 12.355,32 1.16,33 5.283,34 7.593,36 0.178,37 4.48,38 4.48,40 6.439,41 6.439,42 1,43 17.296,44 3.16,45 16.789,46 3.654,48 24.987,49 0.567,50 16.21,51 4.382,52 12.831,53 5.095,54 23.157,55 1,56 21.331,57 26.82,58 1,59 1.629,61 1,62 1.233,63 2,64 2.701,65 11.941,66 28.655,67 21.259,68 4.605,69 2.293,70 23.582,71 5.1}
{0 CHEMBL2006493,4 16.524,7 47.28,11 1.151,13 11.429,14 11.429,16 8,18 1,20 -0.664,22 37.914,25 5,27 1.26,28 1.714,29 106.17,30 0.764,31 12.512,32 1.654,36 0.927,37 4.634,38 4.634,39 1,40 7.123,41 7.123,42 1,43 18.601,44 2.715,45 19.353,46 3.396,48 26.134,49 0.209,50 17.412,51 4.533,52 13.031,53 5.386,54 24.202,56 22.274,57 28.07,59 1.292,61 1,62 0.857,63 3,64 3.385,65 170.438,66 30.008,67 22.787,68 4.732,69 5.335,70 25.262,71 5.1}
{0 CHEMBL2006567,4 11.616,7 120.04,8 46.081,10 2,11 0.149,13 7.54,14 7.54,15 5.804,16 5,19 1,20 -0.233,22 50.195,23 2,24 1.502,25 1,27 0.249,28 1.132,29 105.887,30 0.222,31 12.013,32 0.807,33 4.443,34 25.87,36 0.142,37 4.529,38 4.529,40 6.68,41 6.68,42 1,43 17.209,44 2.997,45 17.922,46 3.462,48 24.866,49 0.102,50 16.084,51 3.989,52 12.632,53 5.187,54 23.002,56 21.144,57 26.737,59 1.298,61 1,62 0.885,63 2,64 3.087,65 15.861,66 28.611,67 21.419,68 4.388,69 4.069,70 23.833,71 5.1}
{0 CHEMBL200657,4 8.98,7 77.23,8 77.167,12 1,13 8.997,14 8.997,16 3,20 0.098,22 50.162,24 1.454,25 7,27 0.254,28 1.745,29 41.808,30 0.255,31 12.043,32 1.355,33 5.416,34 4.115,36 0.166,37 4.604,38 4.604,40 6.591,41 6.591,42 1,43 17.398,44 3.111,45 17.381,46 3.464,48 24.941,49 0.551,50 16.27,51 3.912,52 12.624,53 5.258,54 23.086,55 1,56 21.234,57 26.8,59 1.552,61 1,62 1.106,64 2.264,65 11.718,66 28.662,67 21.335,68 4.46,69 2.293,70 23.708,71 4.699}
{0 CHEMBL2006580,4 13.245,7 86.28,8 34.133,13 7.424,14 7.424,16 3,22 42.753,23 1,24 1.478,27 0.335,28 1.688,29 115.403,30 0.196,31 12.117,32 0.988,33 4.727,34 14.099,36 0.154,37 4.619,38 4.619,40 6.771,41 6.771,42 1,43 17.364,44 3.083,45 17.93,46 3.499,48 24.983,49 0.151,50 16.231,51 4.043,52 12.72,53 5.208,54 23.102,55 1,56 21.229,57 26.871,59 1.246,61 1,62 0.868,64 2.525,65 8.71,66 28.764,67 21.645,68 4.559,69 0.8,70 24.075,71 5.1}
{0 CHEMBL2006581,3 2,4 16.638,5 1,7 145.78,9 1,10 2,11 0.473,12 2,13 9.795,14 9.795,15 10.914,16 2,18 1,19 2,20 -0.562,22 29.968,23 2,25 7,27 0.634,28 1.855,29 200.581,30 0.739,31 12.309,32 0.773,34 4.815,35 4,36 0.548,37 4.842,38 4.842,39 1,40 7.247,41 7.247,42 1,43 18.465,44 3.517,45 19.718,46 3.732,48 26.028,49 0.511,50 17.277,51 4.111,52 13.269,53 5.35,54 24.091,55 2,56 22.161,57 27.972,59 1.653,60 3,61 1,62 1.132,64 3.323,65 80.937,66 29.92,67 22.677,68 5.112,69 2.162,70 25.175,71 5.1}
{0 CHEMBL2006631,4 20.97,7 94.41,11 0.4,12 4,13 10.336,14 10.336,16 1,20 -0.215,22 24.082,23 1,25 7,27 0.618,28 3.047,29 69.458,30 0.363,31 12.778,32 1.001,33 2.708,36 0.374,37 4.958,38 4.958,40 7.691,41 7.691,42 1,43 19.116,44 3.919,45 21.893,46 3.789,48 26.752,49 0.469,50 17.882,51 4.812,52 13.503,53 5.509,54 24.757,55 3,56 22.771,57 28.755,59 1.767,61 1,62 1.267,64 2.95,65 45.097,66 30.763,67 23.667,68 5.223,69 2.117,70 26.272,71 5.1}
{0 CHEMBL2006715,4 30.521,7 132.76,8 322.343,11 0.555,12 8,13 10.601,14 10.601,16 11,17 0.4,20 -0.787,22 90.915,23 1,24 1.455,25 6,27 1.203,28 3.727,29 130.567,30 0.766,31 13.209,32 0.953,33 5.778,34 58.118,35 2,36 0.433,37 4.738,38 4.738,40 7.021,41 7.021,43 18.546,44 4.44,45 19.438,46 3.913,47 1,48 26.132,49 0.919,50 17.394,51 5.263,52 13.628,53 5.412,54 24.244,55 3,56 22.364,57 28.025,58 3,59 1.912,62 1.589,63 1,64 3.328,65 29.145,66 29.924,67 22.856,68 5.394,69 3.348,70 25.321,71 5.1}
{0 CHEMBL2006778,4 11.573,7 112.04,8 108.546,12 3,13 10.306,14 10.306,15 6.137,16 3,19 3,20 -0.202,22 67.781,24 1.492,25 3,27 0.326,28 2.848,29 89.788,30 0.304,31 12.797,32 1.028,33 5.416,34 34.706,36 0.199,37 4.741,38 4.741,40 6.978,41 6.978,42 1,43 18.256,44 3.788,45 19.263,46 3.629,48 25.771,49 0.667,50 17.091,51 4.844,52 13.33,53 5.381,54 23.878,56 21.992,57 27.67,58 1,59 1.777,60 1,61 1,62 1.22,64 3.212,65 22.045,66 29.575,67 22.526,68 5.165,69 2.117,70 24.997,71 5.1}
{0 CHEMBL2006785,4 13.727,7 81.13,8 48.361,12 1,13 8.699,14 8.699,16 1,20 -0.294,22 56.789,23 1,24 1.267,25 3,27 0.341,28 2.668,29 134.502,30 0.321,31 12.506,32 1.021,33 4.844,34 2.104,36 0.14,37 4.739,38 4.739,40 6.973,41 6.973,43 18.028,44 3.498,45 19.159,46 3.873,48 25.542,49 0.218,50 16.86,51 4.489,52 13.111,53 5.363,54 23.648,56 21.763,57 27.442,58 1,59 1.454,62 0.994,64 3.454,65 17.458,66 29.348,67 22.295,68 4.902,69 4.069,70 24.778,71 5.1}
{0 CHEMBL2006836,4 21.746,6 2,7 133.51,8 145.287,11 0.98,12 10,13 11.046,14 11.046,16 13,20 -0.456,21 1,22 33.672,25 19,26 2.678,27 0.633,28 2.738,29 200.164,30 0.67,31 13.156,32 0.907,33 5.533,34 2.144,36 0.372,37 4.818,38 4.818,40 7.153,41 7.153,42 1,43 18.848,44 4.089,45 20.48,46 3.779,47 1,48 26.305,49 0.571,50 17.655,51 5.204,52 13.645,53 5.437,54 24.398,55 2,56 22.498,57 28.218,58 6,59 1.714,61 1,62 1.375,63 3,64 3.577,65 47.225,66 30.135,67 23.105,68 5.345,69 4.069,70 25.616,71 6.5}
{0 CHEMBL2006933,4 3.337,7 71.31,13 9.163,14 9.163,16 4,22 43.633,23 1,25 6,27 0.152,28 1.623,29 76.254,30 0.143,31 12.258,32 1.218,36 0.067,37 4.712,38 4.712,40 6.844,41 6.844,42 1,43 17.698,44 2.622,45 18.867,46 3.436,48 25.32,49 0.178,50 16.545,51 4.304,52 12.868,53 5.253,54 23.432,56 21.549,57 27.212,59 1.359,61 1,62 0.736,64 2.754,65 8.103,66 29.108,67 21.964,68 4.691,69 5.9,70 24.416,71 5.5}
{0 CHEMBL2007002,4 12.596,7 87.24,8 60.71,13 9.331,14 9.331,16 2,18 1,20 -0.284,22 26.55,23 1,25 5,27 0.347,28 1.96,29 95.491,30 0.285,31 12.568,32 0.964,33 4.727,34 2.144,36 0.191,37 4.615,38 4.615,39 1,40 6.705,41 6.705,42 1,43 17.664,44 3.735,45 17.977,46 3.813,48 25.294,49 0.484,50 16.549,51 4.635,52 13.102,53 5.191,54 23.444,56 21.6,57 27.149,59 1.709,61 1,62 1.132,64 2.955,65 19.029,66 29.008,67 21.761,68 4.902,69 2.117,70 24.148,71 5.1}
{0 CHEMBL2007044,4 20.724,7 68.6,8 106.31,11 0.68,12 3,13 9.462,14 9.462,16 7,17 0.249,22 33.05,25 6,27 0.184,28 2.223,29 64.508,30 0.09,31 12.709,32 1.1,33 5.476,34 36.818,35 1,36 0.125,37 4.663,38 4.663,40 6.933,41 6.933,42 1,43 18.093,44 3.797,45 19.269,46 3.668,48 25.531,49 0.849,50 16.923,51 4.836,52 13.167,53 5.343,54 23.645,56 21.768,57 27.424,59 1.651,61 1,62 1.446,63 1,64 3.038,65 15.027,66 29.323,67 22.293,68 4.745,69 4.069,70 24.762,71 5.3}
{0 CHEMBL2007064,4 14.447,7 85.95,8 110.746,12 1,13 10.458,14 10.458,16 2,20 -0.311,22 31.696,25 3,27 0.255,28 1.86,29 92.973,30 0.456,31 12.484,32 0.922,33 5.533,34 5.513,35 1,36 0.211,37 4.58,38 4.58,40 6.749,41 6.749,42 1,43 17.975,44 3.593,45 18.079,46 3.491,48 25.479,49 0.614,50 16.827,51 4.382,52 12.984,53 5.241,54 23.599,56 21.724,57 27.364,59 1.65,61 1,62 1.215,64 3.295,65 40.498,66 29.252,67 22.07,68 4.771,69 3.925,70 24.489,71 5.1}
{0 CHEMBL2007138,4 12.434,7 61.96,8 40.362,11 0.4,13 7.063,14 7.063,20 -1.092,22 18.423,23 1,25 1,27 0.434,28 0.812,29 89.438,30 0.266,31 11.766,32 0.539,33 4.844,36 0.203,37 4.486,38 4.486,40 6.619,41 6.619,42 1,43 17.15,44 2.294,45 17.175,46 3.252,48 24.687,49 0.142,50 16.023,51 3.367,52 12.405,53 5.115,54 22.825,56 20.97,57 26.554,59 1.082,61 1,62 0.305,63 1,64 2.732,65 18.128,66 28.425,67 21.089,68 4.135,69 2.4,70 23.472,71 4.7}
{0 CHEMBL2007151,4 27.304,5 1,6 1,7 69.2,8 175.031,10 2,12 10,13 9.577,14 9.577,15 6.481,16 14,18 1,19 1,22 48.184,23 2,25 11,26 2.445,27 0.413,28 4.427,29 77.468,30 0.598,31 13.06,32 0.957,33 5.416,34 5.085,36 0.289,37 4.852,38 4.852,39 1,40 7.266,41 7.266,43 18.694,44 4.471,45 20.521,46 3.805,48 26.139,49 1.046,50 17.487,51 5.142,52 13.324,53 5.489,54 24.214,55 2,56 22.3,57 28.071,58 1,59 1.908,60 1,62 1.592,63 1,64 3.008,65 27.55,66 30.011,67 23.146,68 5.037,69 2.302,70 25.703,71 5.1}
{0 CHEMBL2007296,4 14.099,7 51.22,11 0.473,12 3,13 8.932,14 8.932,16 6,18 1,20 -0.094,22 29.817,25 6,27 0.243,28 1.885,29 52.93,30 0.269,31 12.208,32 1.012,35 1,36 0.171,37 4.29,38 4.29,39 1,40 6.186,41 6.186,42 1,43 16.8,44 3.825,45 15.642,46 3.688,48 24.639,49 0.815,50 15.766,51 4.248,52 12.711,53 4.975,54 22.843,56 21.052,57 26.437,59 1.798,61 1,62 1.26,64 2.844,65 22.558,66 28.237,67 20.707,68 4.46,69 2.162,70 22.962,71 5.1}
{0 CHEMBL2007372,4 16.936,7 100.26,8 63.686,12 2,13 10.767,14 10.767,16 3,22 28.625,25 4,27 0.778,28 2.221,29 124.786,30 0.359,31 12.843,32 1.049,33 4.844,34 33.715,35 1,36 0.338,37 4.767,38 4.767,40 7.065,41 7.065,42 1,43 18.576,44 4.17,45 19.748,46 3.776,47 1,48 26.032,49 0.648,50 17.401,51 4.956,52 13.316,53 5.375,54 24.127,55 2,56 22.228,57 27.943,58 2,59 1.862,61 1,62 1.343,63 1,64 2.921,65 36.624,66 29.857,67 22.878,68 5.075,69 0.8,70 25.361,71 5.1}
{0 CHEMBL2007592,4 15.889,6 1,7 91.29,8 57.413,13 9.872,14 9.872,16 4,20 -0.222,21 1,22 62.192,23 1,24 1.697,25 8,26 1.409,27 0.265,28 3.527,29 58.593,30 0.27,31 12.842,32 0.878,33 5.476,34 5.634,36 0.218,37 4.727,38 4.727,40 7.067,41 7.067,42 1,43 18.409,44 3.503,45 19.85,46 3.686,48 25.813,49 0.548,50 17.218,51 4.984,52 13.1,53 5.473,54 23.906,55 3,56 22.007,57 27.725,59 1.441,61 1,62 1.066,63 1,64 2.901,65 14.521,66 29.642,67 22.689,68 4.796,69 2.86,70 25.195,71 5.1}
{0 CHEMBL200796,4 12.751,7 95.25,8 79.799,12 4,13 8.296,14 8.296,16 2,20 -0.339,21 1,22 47.802,24 1.304,25 5,27 0.308,28 1.657,29 52.808,30 0.237,31 12.202,32 0.913,33 5.416,34 1.358,36 0.284,37 4.612,38 4.612,39 1,40 6.607,41 6.607,42 1,43 17.366,44 3.09,45 17.436,46 3.505,48 24.853,49 0.304,50 16.241,51 4.22,52 12.748,53 5.253,54 23.005,55 1,56 21.164,57 26.706,59 1.548,61 1,62 1.062,64 2.625,65 20.958,66 28.563,67 21.348,68 4.543,69 3.349,70 23.728,71 4.678}
{0 CHEMBL201511,4 15.704,7 93.41,8 126.182,11 0.86,12 5,13 10.397,14 10.397,16 4,17 0.86,18 3,20 -0.358,22 42.599,25 8,27 0.473,28 2.3,29 83.29,30 0.84,31 12.901,32 0.938,33 5.476,34 13.915,35 1,36 0.468,37 4.75,38 4.75,39 3,40 7.109,41 7.109,42 1,43 18.512,44 3.907,45 19.97,46 3.696,48 26.049,49 0.577,50 17.333,51 4.898,52 13.332,53 5.401,54 24.139,56 22.234,57 27.965,58 2,59 1.615,61 1,62 1.489,63 2,64 3.276,65 34.389,66 29.885,67 22.907,68 5.056,69 2.4,70 25.407,71 4}
{0 CHEMBL202635,4 28.075,7 103.17,11 0.916,12 2,13 8.131,14 8.131,16 4,17 0.86,18 1,20 -0.517,22 37.968,23 1,25 4,27 0.578,28 2.367,29 139.924,30 0.612,31 12.292,32 0.943,34 6.604,35 2,36 0.402,37 4.39,38 4.39,39 1,40 6.327,41 6.327,42 1,43 16.912,44 3.83,45 16.417,46 3.683,48 24.553,49 0.736,50 15.855,51 4.344,52 12.784,53 5.053,54 22.766,56 20.987,57 26.345,59 1.61,61 1,62 1.376,63 2,64 3.317,65 31.271,66 28.142,67 20.715,68 4.605,69 4.069,70 23.014,71 5.1}
{0 CHEMBL202721,4 34.191,7 97.84,11 0.86,12 5,13 8.723,14 8.723,16 8,17 0.86,18 2,20 -0.153,22 53.564,23 1,25 7,27 0.522,28 2.944,29 91.716,30 0.704,31 12.7,32 1.127,34 2.328,35 1,36 0.43,37 4.575,38 4.575,39 3,40 6.585,41 6.585,43 17.48,44 4.248,45 17.465,46 3.789,48 25.157,49 1.046,50 16.397,51 4.812,52 13.141,53 5.202,54 23.334,55 1,56 21.518,57 26.986,58 1,59 1.939,62 1.486,63 2,64 2.969,65 35.433,66 28.821,67 21.52,68 4.945,69 2.117,70 23.872,71 5}
{0 CHEMBL2029988,4 32.44,7 120.63,8 114.89,11 0.86,12 4,13 10.527,14 10.527,16 11,17 0.86,18 3,20 -0.744,22 40.071,23 2,25 10,27 2.277,28 2.055,29 165.927,30 1.09,31 12.917,32 0.609,33 4.595,34 16.867,35 1,36 1.339,37 4.811,38 4.811,39 3,40 8.294,41 8.294,43 19.968,44 3.985,45 24.059,46 3.832,48 27.598,49 0.592,50 18.663,51 4.852,52 13.563,53 5.791,54 25.514,55 2,56 23.439,57 29.691,58 3,59 1.728,62 1.357,63 3,64 3.325,65 173.246,66 31.789,67 24.567,68 5.278,69 4.53,70 27.289,71 5}
{0 CHEMBL2036725,4 12.649,6 1,7 55.63,8 43.778,12 2,13 8.609,14 8.609,16 4,22 14.029,25 6,26 2.046,27 0.152,28 1.672,29 50.357,30 0.128,31 12.42,32 0.994,33 4.844,34 4.043,35 2,36 0.157,37 4.656,38 4.656,40 6.798,41 6.798,42 1,43 17.683,44 3.476,45 18.519,46 3.703,47 1,48 25.198,49 0.285,50 16.54,51 4.443,52 12.936,53 5.245,54 23.326,55 2,56 21.461,57 27.076,59 1.667,61 1,62 1.062,64 2.55,65 14.336,66 28.961,67 21.798,68 4.691,69 0.8,70 24.23,71 4.222}
{0 CHEMBL2036726,4 15.074,6 1,7 55.63,8 46.871,12 2,13 8.61,14 8.61,16 4,22 17.214,25 6,26 2.049,27 0.171,28 1.812,29 50.357,30 0.123,31 12.467,32 0.894,33 4.844,34 4.043,35 2,36 0.176,37 4.656,38 4.656,40 6.798,41 6.798,42 1,43 17.701,44 3.547,45 18.519,46 3.717,47 1,48 25.214,49 0.608,50 16.561,51 4.489,52 12.999,53 5.245,54 23.346,55 2,56 21.486,57 27.09,59 1.672,61 1,62 1.111,64 2.633,65 15.842,66 28.971,67 21.803,68 4.808,69 0.8,70 24.234,71 4}
{0 CHEMBL2036727,4 14.25,6 1,7 55.63,8 46.871,13 8.61,14 8.61,16 4,22 17.529,25 6,26 2.031,27 0.219,28 1.836,29 89.505,30 0.22,31 12.467,32 0.982,33 4.844,34 4.043,35 2,36 0.171,37 4.656,38 4.656,40 6.798,41 6.798,43 17.701,44 3.509,45 18.519,46 3.751,47 1,48 25.214,49 0.258,50 16.561,51 4.489,52 12.999,53 5.245,54 23.346,55 2,56 21.486,57 27.09,59 1.666,61 1,62 1.062,64 2.792,65 13.545,66 28.971,67 21.803,68 4.808,69 0.8,70 24.234,71 4}
{0 CHEMBL2036728,4 23.104,6 1,7 68.1,8 61.331,11 0.4,12 1,13 9.059,14 9.059,16 6,22 30.182,25 8,26 2.054,27 0.188,28 2.411,29 61.356,30 0.263,31 12.655,32 1.111,33 4.844,34 4.043,35 3,36 0.278,37 4.656,38 4.656,39 1,40 6.798,41 6.798,42 1,43 17.818,44 3.716,45 18.519,46 3.736,47 1,48 25.384,49 0.825,50 16.688,51 4.71,52 13.089,53 5.274,54 23.522,55 2,56 21.668,57 27.251,59 1.831,61 1,62 1.281,64 2.845,65 23.421,66 29.124,67 21.924,68 4.856,69 1.72,70 24.337,71 4}
{0 CHEMBL2036865,4 15.171,6 1,7 75.86,8 49.491,12 2,13 8.638,14 8.638,16 4,22 17.529,25 6,26 1.999,27 0.357,28 1.814,29 132.189,30 0.288,31 12.533,32 0.971,33 4.844,34 4.043,35 2,36 0.209,37 4.656,38 4.656,40 6.798,41 6.798,42 1,43 17.784,44 3.546,45 18.519,46 3.748,47 1,48 25.316,49 0.254,50 16.649,51 4.543,52 13.085,53 5.245,54 23.454,55 2,56 21.599,57 27.185,59 1.667,61 1,62 1.012,64 2.807,65 13.616,66 29.059,67 21.851,68 4.913,69 0.8,70 24.275,71 5.222}
{0 CHEMBL2036866,4 17.725,6 1,7 85.09,8 52.687,12 1,13 8.779,14 8.779,16 5,18 1,22 19.272,25 8,26 2.001,27 0.353,28 1.784,29 104.04,30 0.315,31 12.564,32 1.1,33 4.844,34 4.043,35 3,36 0.273,37 4.656,38 4.656,39 1,40 6.798,41 6.798,42 1,43 17.807,44 3.56,45 18.519,46 3.722,47 1,48 25.35,49 0.575,50 16.673,51 4.585,52 13.099,53 5.246,54 23.488,55 2,56 21.633,57 27.218,59 1.671,61 1,62 1.193,64 2.807,65 19.313,66 29.092,67 21.884,68 4.913,69 1.72,70 24.303,71 5.921}
{0 CHEMBL2036867,4 18.041,6 1,7 64.86,8 53.357,12 3,13 8.61,14 8.61,16 7,18 1,22 23.865,25 8,26 2.04,27 0.183,28 1.85,29 61.356,30 0.254,31 12.508,32 1.056,33 4.844,34 4.043,35 3,36 0.204,37 4.656,38 4.656,39 1,40 6.798,41 6.798,42 1,43 17.712,44 3.609,45 18.519,46 3.717,47 1,48 25.231,49 0.675,50 16.574,51 4.554,52 13.016,53 5.246,54 23.365,55 2,56 21.508,57 27.104,59 1.706,61 1,62 1.197,64 2.783,65 20.607,66 28.983,67 21.812,68 4.808,69 1.72,70 24.24,71 4}
{0 CHEMBL2036868,4 16.962,6 1,7 64.86,8 50.068,12 1,13 8.61,14 8.61,16 6,18 1,22 19.272,25 8,26 2.037,27 0.205,28 1.774,29 61.356,30 0.255,31 12.492,32 1.072,33 4.844,34 4.043,35 3,36 0.231,37 4.656,38 4.656,39 1,40 6.798,41 6.798,42 1,43 17.71,44 3.542,45 18.519,46 3.716,47 1,48 25.229,49 0.575,50 16.571,51 4.533,52 13.013,53 5.245,54 23.363,55 2,56 21.505,57 27.102,59 1.671,61 1,62 1.178,64 2.761,65 18.921,66 28.982,67 21.81,68 4.808,69 1.72,70 24.239,71 4.824}
{0 CHEMBL2036869,4 14.806,6 1,7 75.86,8 46.871,13 8.61,14 8.61,16 4,22 14.029,25 6,26 2.016,27 0.236,28 1.713,29 93.04,30 0.244,31 12.467,32 0.982,33 4.844,34 4.043,35 2,36 0.172,37 4.656,38 4.656,40 6.798,41 6.798,42 1,43 17.701,44 3.495,45 18.519,46 3.712,47 1,48 25.214,49 0.256,50 16.561,51 4.489,52 12.999,53 5.245,54 23.346,55 2,56 21.486,57 27.09,59 1.668,61 1,62 1.062,64 2.657,65 14.244,66 28.971,67 21.803,68 4.808,69 0.8,70 24.234,71 4.921}
{0 CHEMBL2036870,4 14.806,6 1,7 75.86,8 46.398,12 2,13 8.614,14 8.614,16 4,22 14.029,25 6,26 2.01,27 0.259,28 1.69,29 93.04,30 0.184,31 12.472,32 1.026,33 4.844,34 4.043,35 2,36 0.172,37 4.656,38 4.656,40 6.798,41 6.798,42 1,43 17.71,44 3.496,45 18.519,46 3.711,47 1,48 25.22,49 0.278,50 16.57,51 4.5,52 13.001,53 5.245,54 23.352,55 2,56 21.492,57 27.095,59 1.668,61 1,62 1.13,64 2.665,65 14.273,66 28.977,67 21.809,68 4.808,69 0.8,70 24.239,71 5.432}
{0 CHEMBL2036871,4 14.589,6 1,7 74.71,8 43.215,11 0.526,12 6,13 11.091,14 11.091,16 7,17 0.064,20 -0.751,22 23.867,25 10,26 1.947,27 0.783,28 1.933,29 83.861,30 0.463,31 12.782,32 1.384,33 4.844,34 8.748,36 0.389,37 4.67,38 4.67,40 6.928,41 6.928,42 1,43 18.44,44 3.437,45 19.507,46 3.509,47 1,48 25.942,49 0.651,50 17.267,51 4.762,52 13.216,53 5.346,54 24.047,55 6,56 22.158,57 27.841,59 1.602,61 1,62 1.123,63 5,64 3.257,65 14.881,66 29.744,67 22.557,68 4.977,69 3.071,70 25.03,71 4}
{0 CHEMBL2042029,1 1,3 5,4 24.288,5 1,7 107.36,10 1,11 0.98,12 9,13 10.347,14 10.347,15 11.684,16 8,17 0.916,18 1,19 4,20 -0.793,22 39.009,23 1,25 13,27 0.838,28 2.787,29 180.391,30 0.635,31 12.917,32 1.097,34 2.328,36 0.958,37 4.567,38 4.567,39 1,40 7.279,41 7.279,43 18.724,44 4.349,45 20.103,46 3.853,48 26.316,49 0.812,50 17.547,51 4.92,52 13.442,53 5.362,54 24.394,56 22.481,57 28.244,58 1,59 1.848,60 2,62 1.5,63 1,64 3.255,65 154.894,66 30.179,67 22.969,68 5.215,69 5.335,70 25.456,71 5.409}
{0 CHEMBL2042030,1 1,3 5,4 24.288,5 1,7 107.36,10 1,11 0.98,12 10,13 10.35,14 10.35,15 11.706,16 8,17 0.916,18 1,19 4,20 -0.793,22 39.009,23 1,25 13,27 0.841,28 2.795,29 180.391,30 0.651,31 12.924,32 1.078,34 2.328,36 0.958,37 4.567,38 4.567,39 1,40 7.279,41 7.279,43 18.731,44 4.398,45 20.103,46 3.853,48 26.319,49 0.813,50 17.553,51 4.927,52 13.443,53 5.362,54 24.398,56 22.485,57 28.247,58 2,59 1.844,60 2,62 1.501,63 1,64 3.255,65 154.952,66 30.182,67 22.974,68 5.215,69 5.335,70 25.461,71 4.917}
{0 CHEMBL2042031,1 1,3 6,4 24.288,7 94.47,10 1,11 0.98,12 7,13 10.347,14 10.347,15 11.763,16 8,17 0.916,18 1,19 5,20 -0.773,22 39.866,23 1,25 10,27 0.732,28 2.92,29 163.605,30 0.469,31 12.917,32 1.052,34 2.328,36 0.927,37 4.567,38 4.567,39 1,40 7.279,41 7.279,43 18.724,44 4.386,45 20.103,46 3.853,48 26.316,49 0.816,50 17.547,51 4.92,52 13.442,53 5.358,54 24.394,56 22.481,57 28.244,58 1,59 1.855,60 3,62 1.501,63 1,64 3.255,65 154.246,66 30.179,67 22.969,68 5.215,69 5.335,70 25.456,71 5.807}
{0 CHEMBL2042032,1 1,3 6,4 24.288,7 94.47,10 1,11 0.98,12 8,13 10.35,14 10.35,15 11.784,16 8,17 0.916,18 1,19 5,20 -0.773,22 39.866,23 1,25 10,27 0.736,28 2.934,29 163.605,30 0.542,31 12.924,32 1.11,34 2.328,36 0.927,37 4.567,38 4.567,39 1,40 7.279,41 7.279,43 18.731,44 4.44,45 20.103,46 3.853,48 26.319,49 0.817,50 17.553,51 4.927,52 13.443,53 5.358,54 24.398,56 22.485,57 28.247,58 1,59 1.851,60 3,62 1.501,63 1,64 3.255,65 154.28,66 30.182,67 22.974,68 5.215,69 5.335,70 25.461,71 5.483}
{0 CHEMBL2042035,1 1,3 5,4 24.288,7 122.71,8 111.113,10 1,11 0.98,12 6,13 10.352,14 10.352,15 11.752,16 7,17 0.916,18 1,19 5,20 -0.769,22 67.49,23 1,24 1.643,25 9,27 0.777,28 3.305,29 163.605,30 0.575,31 12.924,32 1.146,33 4.595,34 5.045,36 0.95,37 4.567,38 4.567,39 1,40 7.279,41 7.279,43 18.739,44 4.384,45 20.103,46 3.891,48 26.321,49 0.81,50 17.562,51 4.913,52 13.443,53 5.397,54 24.399,56 22.486,57 28.249,58 1,59 1.86,60 3,62 1.496,63 1,64 3.255,65 153.969,66 30.183,67 22.976,68 5.215,69 5.335,70 25.463,71 6.301}
{0 CHEMBL2042040,1 1,3 5,4 24.288,7 122.71,8 111.113,10 1,11 0.98,12 6,13 10.352,14 10.352,15 11.752,16 8,17 0.916,18 1,19 5,20 -0.769,22 69.317,23 1,24 1.588,25 8,27 0.815,28 3.299,29 163.605,30 0.54,31 12.924,32 1.146,33 4.595,34 15.457,36 0.953,37 4.567,38 4.567,39 1,40 7.279,41 7.279,43 18.739,44 4.373,45 20.103,46 3.891,48 26.321,49 0.81,50 17.562,51 4.913,52 13.443,53 5.384,54 24.399,56 22.486,57 28.249,58 1,59 1.857,60 3,62 1.494,63 1,64 3.255,65 154.239,66 30.183,67 22.976,68 5.215,69 5.335,70 25.463,71 5.879}
{0 CHEMBL2042041,1 1,3 3,4 21.863,7 122.71,8 101.866,10 1,11 0.98,12 4,13 9.961,14 9.961,15 11.565,16 8,17 0.916,18 1,19 5,20 -0.764,22 62.946,23 1,24 1.587,25 7,27 0.803,28 2.761,29 163.605,30 0.6,31 12.672,32 1.172,33 4.595,34 15.457,36 0.969,37 4.489,38 4.489,39 1,40 6.551,41 6.551,43 18.015,44 4.19,45 17.171,46 3.719,48 25.547,49 0.7,50 16.907,51 4.727,52 13.226,53 5.199,54 23.705,56 21.868,57 27.392,58 1,59 1.821,60 3,62 1.493,63 1,64 3.136,65 148.669,66 29.24,67 21.959,68 5.056,69 5.335,70 24.295,71 5.075}
{0 CHEMBL2042042,1 1,3 3,4 21.863,7 122.71,8 101.866,10 1,11 0.98,12 4,13 9.961,14 9.961,15 11.565,16 8,17 0.916,18 1,19 5,20 -0.764,22 62.946,23 1,24 1.587,25 7,27 0.803,28 2.761,29 163.605,30 0.6,31 12.672,32 1.172,33 4.595,34 15.457,36 0.969,37 4.489,38 4.489,39 1,40 6.551,41 6.551,43 18.015,44 4.19,45 17.171,46 3.719,48 25.547,49 0.7,50 16.907,51 4.727,52 13.226,53 5.199,54 23.705,56 21.868,57 27.392,58 1,59 1.821,60 3,62 1.493,63 1,64 3.136,65 148.669,66 29.24,67 21.959,68 5.056,69 5.335,70 24.295,71 4.301}
{0 CHEMBL2042135,1 1,3 3,4 21.863,7 122.71,8 101.866,10 1,11 0.98,12 4,13 9.961,14 9.961,15 11.565,16 8,17 0.916,18 1,19 5,20 -0.764,22 62.946,23 1,24 1.587,25 7,27 0.803,28 2.761,29 163.605,30 0.6,31 12.672,32 1.172,33 4.595,34 15.457,36 0.969,37 4.489,38 4.489,39 1,40 6.551,41 6.551,43 18.015,44 4.19,45 17.171,46 3.719,48 25.547,49 0.7,50 16.907,51 4.727,52 13.226,53 5.199,54 23.705,56 21.868,57 27.392,58 1,59 1.821,60 3,62 1.493,63 1,64 3.136,65 148.669,66 29.24,67 21.959,68 5.056,69 5.335,70 24.295,71 5.235}
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{0 CHEMBL2048912,3 1,4 27.378,6 1,7 148.22,8 172.63,11 0.4,12 7,13 11.241,14 11.241,15 5.853,16 6,17 0.263,18 1,20 -0.211,22 66.647,23 1,24 1.417,25 7,26 1.982,27 0.845,28 2.871,29 156.738,30 0.587,31 12.882,32 1.143,33 5.352,34 16.989,35 1,36 0.306,37 4.631,38 4.631,39 1,40 7.053,41 7.053,43 18.593,44 4.251,45 18.234,46 3.985,48 26.193,49 0.866,50 17.439,51 4.883,52 13.503,53 5.375,54 24.287,55 1,56 22.386,57 28.105,59 1.874,62 1.394,63 1,64 3.245,65 30.813,66 30.02,67 22.738,68 5.293,69 3.416,70 25.164,71 5}
{0 CHEMBL207253,4 16.228,6 1,7 49.05,8 32.909,13 9.589,14 9.589,16 9,20 -0.065,21 1,22 29.974,25 9,26 1.676,27 0.53,28 1.951,29 92.175,30 0.329,31 12.692,32 0.845,33 4.844,36 0.217,37 4.743,38 4.743,39 1,40 7.197,41 7.197,42 1,43 18.546,44 3.631,45 20.652,46 3.448,48 25.955,49 0.47,50 17.33,51 4.71,52 12.98,53 5.456,54 24.025,55 1,56 22.101,57 27.892,59 1.673,61 1,62 1.065,63 4,64 3.008,65 15.592,66 29.833,67 22.924,68 4.732,69 4.631,70 25.474,71 5.1}
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{0 CHEMBL207995,4 19.839,7 117,11 0.86,12 2,13 7.858,14 7.858,16 2,17 0.247,18 1,20 -0.614,22 24.047,23 1,25 3,27 0.637,28 1.153,29 165.069,30 0.6,31 12.062,32 0.843,34 6.604,35 2,36 0.445,37 4.39,38 4.39,39 1,40 6.315,41 6.315,42 1,43 16.796,44 3.19,45 16.351,46 3.498,48 24.458,49 0.211,50 15.735,51 4.043,52 12.724,53 5.041,54 22.667,56 20.882,57 26.254,59 1.528,61 1,62 0.946,63 2,64 3.297,65 40.426,66 28.055,67 20.607,68 4.543,69 4.069,70 22.904,71 5.1}
{0 CHEMBL208637,4 15.702,7 101.03,10 3,11 0.86,13 7.053,14 7.053,15 5.645,16 6,17 0.149,18 1,20 -0.265,22 22.382,23 4,27 0.367,28 0.636,29 116.887,30 0.357,31 11.657,32 0.67,34 7.143,36 0.271,37 4.446,38 4.446,39 1,40 6.478,41 6.478,42 1,43 16.739,44 2.771,45 16.946,46 3.276,48 24.42,49 0.089,50 15.642,51 3.584,52 12.364,53 5.05,54 22.581,55 1,56 20.748,57 26.264,58 1,59 1.289,61 1,62 0.856,63 3,64 3.118,65 24.349,66 28.113,67 20.783,68 4.205,69 4.069,70 23.142,71 5.076}
{0 CHEMBL209534,3 1,4 16.608,7 113.92,9 1,10 3,11 0.86,12 3,13 8.288,14 8.288,15 5.776,16 7,17 0.473,18 1,20 -0.402,22 28.102,23 4,25 2,27 0.458,28 1.104,29 133.672,30 0.429,31 12.01,32 0.834,34 4.815,35 2,36 0.275,37 4.473,38 4.473,39 1,40 6.504,41 6.504,42 1,43 16.986,44 3.33,45 17.043,46 3.423,48 24.704,49 0.186,50 15.896,51 3.97,52 12.655,53 5.093,54 22.873,55 1,56 21.048,57 26.541,58 1,59 1.607,61 1,62 1.029,63 2,64 3.074,65 25.765,66 28.381,67 21.005,68 4.388,69 4.069,70 23.352,71 5.1}
{0 CHEMBL210032,4 11.616,7 91.8,10 2,11 0.149,12 1,13 7.528,14 7.528,15 5.832,16 5,19 1,20 -0.24,22 18.917,23 2,25 2,27 0.232,28 1.093,29 105.887,30 0.207,31 12.024,32 0.796,34 2.328,36 0.114,37 4.526,38 4.526,40 6.679,41 6.679,42 1,43 17.194,44 3.157,45 17.915,46 3.457,48 24.864,49 0.218,50 16.073,51 4.025,52 12.636,53 5.159,54 23,56 21.143,57 26.735,59 1.289,61 1,62 1.031,63 2,64 3.084,65 13.997,66 28.609,67 21.417,68 4.388,69 4.069,70 23.831,71 5.076}
{0 CHEMBL210618,3 1,4 26.42,7 119.49,10 3,11 0.86,12 3,13 9.263,14 9.263,15 5.844,16 10,17 0.86,18 3,20 -0.324,22 38.589,23 4,25 6,27 0.56,28 1.424,29 138.887,30 0.739,31 12.254,32 0.927,34 7.143,35 1,36 0.451,37 4.447,38 4.447,39 3,40 6.478,41 6.478,42 1,43 17.178,44 3.62,45 16.947,46 3.448,48 24.871,49 0.584,50 16.097,51 4.263,52 12.85,53 5.062,54 23.048,55 1,56 21.23,57 26.7,58 2,59 1.64,61 1,62 1.27,63 3,64 3.141,65 36.503,66 28.534,67 21.177,68 4.677,69 4.069,70 23.513,71 5.076}
{0 CHEMBL210887,4 16.251,6 1,7 112.97,8 53.905,12 3,13 9.005,14 9.005,16 6,20 -0.482,22 21.475,23 1,25 12,26 1.806,27 0.693,28 1.727,29 135.361,30 0.51,31 12.426,32 0.882,33 4.844,34 2.144,35 1,36 0.405,37 4.629,38 4.629,40 6.754,41 6.754,42 1,43 17.679,44 3.646,45 18.17,46 3.547,47 1,48 25.255,49 0.345,50 16.549,51 4.443,52 13.03,53 5.191,54 23.393,55 2,56 21.538,57 27.121,58 2,59 1.723,61 1,62 1.165,63 2,64 3.218,65 56.207,66 28.992,67 21.819,68 4.879,69 4.612,70 24.23,71 5.1}
{0 CHEMBL210928,3 1,4 26.813,7 138.22,10 2,11 0.86,12 1,13 9.634,14 9.634,15 5.824,16 6,17 0.86,18 3,20 -0.436,22 40.455,23 3,25 9,27 0.923,28 2.425,29 191.289,30 1.259,31 12.534,32 0.822,34 7.143,35 1,36 0.721,37 4.856,38 4.856,39 3,40 7.258,41 7.258,42 1,43 18.563,44 3.841,45 19.808,46 3.814,48 26.086,49 0.634,50 17.374,51 4.454,52 13.38,53 5.336,54 24.155,55 2,56 22.232,57 28.025,58 2,59 1.699,60 1,61 1,62 1.4,63 3,64 3.368,65 75.459,66 29.97,67 22.747,68 5.263,69 5.9,70 25.246,71 5.076}
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{0 CHEMBL211378,4 17.311,7 118.96,8 62.79,10 3,13 8.081,14 8.081,15 5.902,16 5,19 1,20 -0.321,22 28.225,23 3,25 3,27 0.432,28 1.694,29 120.944,30 0.345,31 12.519,32 0.753,33 4.727,34 6.604,36 0.309,37 4.666,38 4.666,40 6.884,41 6.884,42 1,43 17.716,44 3.502,45 18.662,46 3.779,48 25.321,49 0.344,50 16.579,51 4.522,52 13.07,53 5.278,54 23.442,55 2,56 21.572,57 27.209,59 1.624,61 1,62 1.212,63 2,64 2.744,65 24.429,66 29.104,67 22.031,68 4.902,69 2.912,70 24.486,71 5.1}
{0 CHEMBL213505,4 19.34,7 118.96,8 73.006,10 3,11 0.247,13 11.489,14 11.489,15 5.859,16 5,19 1,20 -0.688,22 28.225,23 3,25 3,27 1.074,28 1.77,29 165.824,30 0.925,31 12.671,32 0.754,33 4.727,34 6.604,36 0.983,37 4.666,38 4.666,40 7.116,41 7.116,42 1,43 18.547,44 3.496,45 18.863,46 3.785,48 26.107,49 0.267,50 17.372,51 4.615,52 13.288,53 5.279,54 24.182,55 2,56 22.263,57 28.038,59 1.627,61 1,62 1.212,63 2,64 3.244,65 142.392,66 29.972,67 22.766,68 5.066,69 5.335,70 25.232,71 5.1}
{0 CHEMBL2148053,4 28.68,6 1,7 123.59,8 93.13,11 0.86,12 9,13 11.242,14 11.242,16 5,17 0.4,18 1,20 -0.559,22 35.777,23 3,25 10,26 1.879,27 1.42,28 2.585,29 192.326,30 0.869,31 12.872,32 1.023,33 4.727,34 16.243,35 1,36 0.508,37 5.03,38 5.03,39 1,40 8.283,41 8.283,43 19.951,44 4.242,45 23.814,46 4.02,48 27.601,49 0.867,50 18.652,51 4.727,52 13.749,53 5.735,54 25.519,55 2,56 23.447,57 29.691,59 1.876,62 1.484,63 2,64 3.33,65 70.065,66 31.785,67 24.529,68 5.497,69 6.685,70 27.237,71 5}
{0 CHEMBL215152,4 34.329,7 128.29,8 108.317,11 0.8,12 2,13 8.122,14 8.122,16 10,17 0.4,18 1,20 -0.295,22 49.934,23 2,25 4,27 0.757,28 2.327,29 144.022,30 0.766,31 12.582,32 1.004,33 4.595,34 22.373,35 2,36 0.443,37 4.526,38 4.526,39 1,40 6.529,41 6.529,43 17.198,44 4.054,45 17.2,46 3.827,48 24.841,49 0.975,50 16.135,51 4.673,52 13.069,53 5.126,54 23.035,55 1,56 21.239,57 26.656,58 2,59 1.82,62 1.598,63 3,64 2.951,65 42.252,66 28.478,67 21.191,68 4.945,69 3.497,70 23.533,71 5}
{0 CHEMBL2178352,4 35.361,6 1,7 74.14,8 169.321,11 0.4,12 1,13 9.076,14 9.076,16 4,17 0.4,22 34.489,23 2,25 4,26 2.276,27 0.396,28 3.319,29 50.357,30 0.346,31 12.893,32 1.042,33 5.352,34 1.899,35 3,36 0.383,37 4.682,38 4.682,40 6.945,41 6.945,43 18.049,44 4.3,45 18.962,46 3.803,47 1,48 25.575,49 1.053,50 16.902,51 5.037,52 13.175,53 5.292,54 23.699,55 3,56 21.833,57 27.46,59 1.883,62 1.483,63 1,64 2.831,65 27.052,66 29.352,67 22.331,68 4.945,69 1.2,70 24.796,71 5}
{0 CHEMBL219722,4 14.885,7 95.83,8 59.469,12 1,13 8.168,14 8.168,15 6,16 2,19 3,20 -0.287,21 1,22 23.205,25 2,27 0.149,28 1.881,29 74.705,30 0.167,31 12.465,32 0.884,33 4.727,34 4.276,36 0.176,37 4.661,38 4.661,40 6.879,41 6.879,42 1,43 17.671,44 3.512,45 18.697,46 3.781,48 25.298,49 0.345,50 16.533,51 4.443,52 13.009,53 5.247,54 23.416,56 21.542,57 27.189,59 1.746,60 1,61 1,62 1.104,64 2.68,65 17.76,66 29.086,67 22.013,68 4.796,69 2.912,70 24.468,71 5.1}
{0 CHEMBL219899,1 1,2 1,3 3,4 27.078,5 1,6 1,7 159.36,8 174.268,9 1,10 1,11 0.98,12 4,13 11.138,14 11.138,15 5.578,16 8,17 0.86,18 3,19 1,20 -0.614,21 1,22 67.618,23 1,24 1.177,25 12,26 1.808,27 0.788,28 3.164,29 152.14,30 0.836,31 12.875,32 0.991,33 5.416,34 3.503,35 1,36 0.645,37 4.801,38 4.801,39 3,40 7.111,41 7.111,43 18.663,44 4.033,45 18.937,46 3.998,47 1,48 26.209,49 0.664,50 17.496,51 4.927,52 13.623,53 5.344,54 24.299,55 2,56 22.395,57 28.123,58 1,59 1.712,60 1,62 1.506,63 4,64 3.322,65 73.863,66 30.042,67 22.784,68 5.453,69 5.9,70 25.224,71 7.125}
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{0 CHEMBL220241,4 34.392,5 1,6 1,7 155.68,8 234.349,10 2,11 0.86,12 8,13 9.284,14 9.284,15 5.882,16 9,17 0.86,18 2,20 -0.243,22 59.849,23 3,25 6,26 1.927,27 0.863,28 3.032,29 173.767,30 0.813,31 12.973,32 0.983,33 5.416,34 9.287,36 0.604,37 4.698,38 4.698,39 3,40 6.907,41 6.907,43 18.109,44 4.259,45 19.134,46 3.814,47 1,48 25.655,49 0.916,50 16.972,51 5.05,52 13.402,53 5.329,54 23.792,55 3,56 21.938,57 27.526,58 4,59 1.927,62 1.62,63 6,64 3.067,65 39.483,66 29.405,67 22.289,68 5.198,69 2.117,70 24.733,71 5.05}
{0 CHEMBL2205422,4 34.7,7 123.3,8 78.112,11 0.6,12 8,13 10.701,14 10.701,16 11,17 0.555,20 -0.086,22 27.784,23 3,25 2,27 0.523,28 2.162,29 177.654,30 0.69,31 12.827,32 0.9,33 4.727,34 4.227,35 2,36 0.296,37 4.699,38 4.699,40 6.983,41 6.983,42 1,43 18.637,44 3.825,45 19.77,46 3.737,48 25.979,49 0.734,50 17.47,51 4.718,52 13.365,53 5.385,54 24.086,55 3,56 22.2,57 27.876,59 1.799,61 1,62 1.262,63 1,64 3.186,65 28.998,66 29.779,67 22.684,68 5.066,69 3.348,70 25.146,71 5.833}
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{0 CHEMBL2205424,4 25.678,7 115.88,11 0.4,12 7,13 9.913,14 9.913,16 9,20 -0.074,22 18.44,23 3,25 3,27 0.454,28 1.883,29 169.294,30 0.539,31 12.678,32 0.781,34 4.227,35 1,36 0.188,37 4.699,38 4.699,40 6.983,41 6.983,42 1,43 18.446,44 3.816,45 19.77,46 3.752,48 25.754,49 0.725,50 17.279,51 4.585,52 13.292,53 5.383,54 23.867,55 2,56 21.988,57 27.648,59 1.822,61 1,62 1.239,63 1,64 2.936,65 24.265,66 29.547,67 22.458,68 4.945,69 1.2,70 24.923,71 5.082}
{0 CHEMBL2205425,4 25.678,7 115.88,11 0.4,12 8,13 9.913,14 9.913,16 8,20 -0.07,22 18.868,23 3,25 2,27 0.44,28 1.887,29 169.294,30 0.552,31 12.678,32 0.875,34 4.227,35 1,36 0.197,37 4.699,38 4.699,40 6.983,41 6.983,42 1,43 18.446,44 3.812,45 19.77,46 3.752,48 25.754,49 0.724,50 17.279,51 4.585,52 13.292,53 5.383,54 23.867,55 2,56 21.988,57 27.648,59 1.818,61 1,62 1.239,63 1,64 2.936,65 24.704,66 29.547,67 22.458,68 4.945,69 1.2,70 24.923,71 5.593}
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{0 CHEMBL2205428,4 24.097,7 102.99,11 0.4,12 4,13 11.24,14 11.24,16 5,20 0.02,22 12.497,23 3,25 3,27 0.509,28 1.421,29 152.509,30 0.617,31 12.519,32 0.87,34 4.227,35 1,36 0.174,37 4.687,38 4.687,40 7.079,41 7.079,42 1,43 18.628,44 3.783,45 19.75,46 3.706,48 26.068,49 0.706,50 17.444,51 4.369,52 13.158,53 5.404,54 24.139,55 2,56 22.215,57 28.002,59 1.806,61 1,62 1.239,63 1,64 2.897,65 24.618,66 29.94,67 22.687,68 4.783,69 1.2,70 25.169,71 6.333}
{0 CHEMBL2205429,4 26.523,7 102.99,11 0.4,12 5,13 11.24,14 11.24,16 5,20 0.022,22 15.683,23 3,25 3,27 0.499,28 1.561,29 152.509,30 0.587,31 12.561,32 0.811,34 4.227,35 1,36 0.172,37 4.687,38 4.687,40 7.079,41 7.079,42 1,43 18.636,44 3.835,45 19.75,46 3.718,48 26.075,49 0.711,50 17.453,51 4.419,52 13.21,53 5.404,54 24.148,55 2,56 22.227,57 28.008,59 1.811,61 1,62 1.239,63 1,64 2.911,65 24.261,66 29.944,67 22.689,68 4.89,69 1.2,70 25.17,71 5.996}
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{0 CHEMBL2205431,4 25.699,7 102.99,11 0.4,12 5,13 11.24,14 11.24,16 5,20 -0.037,22 15.998,23 3,25 3,27 0.605,28 1.585,29 191.657,30 0.735,31 12.561,32 0.86,34 4.227,35 1,36 0.215,37 4.687,38 4.687,40 7.079,41 7.079,42 1,43 18.636,44 3.807,45 19.75,46 3.744,48 26.075,49 0.706,50 17.453,51 4.419,52 13.21,53 5.404,54 24.148,55 2,56 22.227,57 28.008,59 1.803,61 1,62 1.239,63 1,64 2.98,65 27.187,66 29.944,67 22.689,68 4.89,69 1.2,70 25.17,71 6.565}
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{0 CHEMBL2205433,4 29.286,7 112.22,11 0.6,12 5,13 11.24,14 11.24,16 7,17 0.4,18 1,20 -0.401,22 17.741,23 3,25 5,27 1.052,28 1.566,29 208.389,30 1.151,31 12.682,32 0.798,34 4.227,35 2,36 1.315,37 4.687,38 4.687,39 1,40 7.079,41 7.079,43 18.84,44 3.829,45 19.75,46 3.723,48 26.227,49 0.706,50 17.664,51 4.533,52 13.357,53 5.408,54 24.309,55 2,56 22.397,57 28.15,59 1.809,62 1.239,63 1,64 3.299,65 176.858,66 30.076,67 22.844,68 5.056,69 5.542,70 25.305,71 6.215}
{0 CHEMBL2205434,4 28.411,7 112.22,11 0.6,12 5,13 11.24,14 11.24,16 7,17 0.4,18 1,20 -0.028,22 17.741,23 3,25 5,27 0.586,28 1.523,29 163.509,30 0.761,31 12.585,32 0.94,34 4.227,35 2,36 0.272,37 4.687,38 4.687,39 1,40 7.079,41 7.079,42 1,43 18.639,44 3.831,45 19.75,46 3.717,48 26.081,49 0.706,50 17.457,51 4.466,52 13.221,53 5.404,54 24.155,55 2,56 22.236,57 28.013,59 1.809,61 1,62 1.239,63 1,64 2.941,65 30.386,66 29.948,67 22.692,68 4.89,69 1.72,70 25.172,71 6.851}
{0 CHEMBL2205435,4 30.955,7 121.45,11 0.6,12 4,13 11.24,14 11.24,16 8,17 0.6,18 2,20 -0.097,22 22.984,23 3,25 5,27 0.749,28 1.674,29 174.509,30 0.925,31 12.687,32 0.95,34 4.227,35 2,36 0.38,37 4.687,38 4.687,39 2,40 7.079,41 7.079,42 1,43 18.694,44 3.959,45 19.75,46 3.721,48 26.153,49 0.706,50 17.515,51 4.575,52 13.303,53 5.405,54 24.233,55 2,56 22.319,57 28.079,59 1.81,61 1,62 1.469,63 2,64 3.179,65 36.021,66 30.008,67 22.748,68 4.987,69 1.72,70 25.219,71 6.113}
{0 CHEMBL2205436,4 30.698,7 121.45,8 77.498,11 0.6,12 5,13 11.24,14 11.24,16 7,17 0.532,18 2,20 -0.063,22 29.634,23 4,25 6,27 0.745,28 1.683,29 174.509,30 0.827,31 12.734,32 0.84,33 4.595,34 27.769,35 2,36 0.456,37 4.687,38 4.687,39 2,40 7.079,41 7.079,42 1,43 18.706,44 3.839,45 19.75,46 3.731,48 26.157,49 0.705,50 17.529,51 4.635,52 13.313,53 5.408,54 24.237,55 3,56 22.323,57 28.082,58 2,59 1.801,61 1,62 1.245,63 1,64 3.299,65 35.611,66 30.011,67 22.751,68 4.987,69 2.783,70 25.222,71 6.783}
{0 CHEMBL2205437,4 32.092,7 121.45,11 0.6,12 5,13 11.24,14 11.24,16 7,17 0.6,18 2,20 -0.059,22 32.169,23 4,25 6,27 0.713,28 1.874,29 174.509,30 0.831,31 12.737,32 0.9,34 4.227,35 2,36 0.35,37 4.687,38 4.687,39 2,40 7.079,41 7.079,42 1,43 18.699,44 3.884,45 19.75,46 3.731,48 26.155,49 0.754,50 17.522,51 4.663,52 13.311,53 5.47,54 24.235,55 2,56 22.322,57 28.08,58 2,59 1.819,61 1,62 1.239,63 1,64 3.259,65 33.038,66 30.009,67 22.749,68 4.987,69 1.72,70 25.22,71 6.593}
{0 CHEMBL2205438,4 24.097,7 115.88,11 0.4,12 4,13 11.24,14 11.24,16 7,20 -0.013,22 12.497,23 4,25 3,27 0.57,28 1.354,29 169.294,30 0.641,31 12.519,32 0.818,34 4.227,35 1,36 0.22,37 4.687,38 4.687,40 7.079,41 7.079,42 1,43 18.628,44 3.755,45 19.75,46 3.698,48 26.068,49 0.703,50 17.444,51 4.369,52 13.158,53 5.404,54 24.139,55 2,56 22.215,57 28.002,58 2,59 1.802,61 1,62 1.239,63 1,64 2.897,65 27.548,66 29.94,67 22.687,68 4.783,69 1.2,70 25.169,71 4.357}
{0 CHEMBL2205439,4 24.097,7 115.88,11 0.4,12 3,13 11.24,14 11.24,16 6,20 -0.021,22 12.497,23 3,25 4,27 0.562,28 1.351,29 169.294,30 0.691,31 12.519,32 0.878,34 4.227,35 1,36 0.22,37 4.687,38 4.687,40 7.079,41 7.079,42 1,43 18.628,44 3.748,45 19.75,46 3.698,48 26.068,49 0.704,50 17.444,51 4.369,52 13.158,53 5.404,54 24.139,55 2,56 22.215,57 28.002,59 1.803,61 1,62 1.239,63 1,64 2.897,65 27.381,66 29.94,67 22.687,68 4.783,69 1.2,70 25.169,71 4.357}
{0 CHEMBL2205440,4 24.097,7 115.88,11 0.4,12 3,13 11.24,14 11.24,16 7,20 -0.03,22 12.068,23 3,25 4,27 0.597,28 1.35,29 169.294,30 0.655,31 12.519,32 0.922,34 6.555,35 1,36 0.233,37 4.687,38 4.687,40 7.079,41 7.079,42 1,43 18.628,44 3.753,45 19.75,46 3.7,48 26.068,49 0.706,50 17.444,51 4.369,52 13.158,53 5.404,54 24.139,55 2,56 22.215,57 28.002,58 1,59 1.804,61 1,62 1.239,63 3,64 2.897,65 27.673,66 29.94,67 22.687,68 4.783,69 1.2,70 25.169,71 4.389}
{0 CHEMBL2205441,4 25.285,7 102.99,11 0.6,12 5,13 11.24,14 11.24,16 5,20 0.038,22 12.926,23 3,25 3,27 0.513,28 1.638,29 152.509,30 0.642,31 12.585,32 0.92,34 4.227,35 1,36 0.19,37 4.687,38 4.687,40 7.079,41 7.079,42 1,43 18.659,44 3.91,45 19.75,46 3.734,48 26.119,49 0.748,50 17.478,51 4.419,52 13.204,53 5.404,54 24.195,55 2,56 22.277,57 28.048,59 1.822,61 1,62 1.239,63 1,64 3.131,65 25.937,66 29.981,67 22.715,68 4.832,69 1.315,70 25.191,71 5.003}
{0 CHEMBL2205442,4 24.097,7 102.99,11 0.4,12 5,13 11.24,14 11.24,16 5,20 0.005,22 17.643,23 3,25 3,27 0.482,28 2.016,29 152.509,30 0.63,31 12.769,32 0.914,34 4.227,35 1,36 0.162,37 4.687,38 4.687,40 7.079,41 7.079,42 1,43 18.752,44 3.955,45 19.75,46 3.74,48 26.231,49 0.717,50 17.575,51 4.682,52 13.402,53 5.404,54 24.309,55 2,56 22.393,57 28.156,59 1.819,61 1,62 1.303,63 1,64 3.111,65 24.318,66 30.085,67 22.838,68 5.075,69 1.2,70 25.306,71 6.502}
{0 CHEMBL2205443,4 24.097,7 102.99,11 0.4,12 6,13 11.24,14 11.24,16 5,20 0.007,22 17.643,23 3,25 3,27 0.479,28 1.992,29 152.509,30 0.615,31 12.737,32 0.885,34 4.227,35 1,36 0.162,37 4.687,38 4.687,40 7.079,41 7.079,42 1,43 18.699,44 3.922,45 19.75,46 3.746,48 26.155,49 0.723,50 17.522,51 4.663,52 13.378,53 5.404,54 24.235,55 2,56 22.322,57 28.08,59 1.824,61 1,62 1.239,63 1,64 2.99,65 24.239,66 30.009,67 22.749,68 5.075,69 1.2,70 25.22,71 7.071}
{0 CHEMBL2205444,4 24.097,7 102.99,11 0.4,12 9,13 11.24,14 11.24,16 5,20 -0.004,22 18.868,23 3,25 3,27 0.492,28 2.038,29 152.509,30 0.616,31 12.734,32 0.932,34 4.227,35 1,36 0.172,37 4.687,38 4.687,40 7.079,41 7.079,43 18.683,44 3.977,45 19.75,46 3.762,48 26.15,49 0.754,50 17.507,51 4.654,52 13.346,53 5.404,54 24.231,55 2,56 22.317,57 28.075,59 1.859,62 1.259,63 1,64 2.937,65 24.695,66 30.004,67 22.741,68 4.987,69 1.2,70 25.212,71 7.125}
{0 CHEMBL2205445,4 31.373,7 102.99,8 65.884,11 0.6,12 10,13 11.24,14 11.24,16 5,17 0.4,20 0.021,22 27.774,23 3,25 3,27 0.487,28 2.675,29 152.509,30 0.65,31 12.982,32 0.946,33 4.844,34 4.227,35 1,36 0.175,37 4.687,38 4.687,40 7.079,41 7.079,43 18.907,44 4.005,45 19.75,46 3.762,48 26.347,49 0.759,50 17.728,51 4.949,52 13.5,53 5.405,54 24.427,55 2,56 22.513,57 28.271,59 1.901,62 1.372,63 1,64 3.299,65 23.544,66 30.199,67 22.994,68 5.156,69 1.36,70 25.464,71 7.387}
{0 CHEMBL2205446,4 24.097,7 102.99,11 0.4,12 8,13 11.24,14 11.24,16 5,20 -0.008,22 18.868,23 3,25 3,27 0.486,28 2.054,29 152.509,30 0.641,31 12.743,32 0.918,34 4.227,35 1,36 0.172,37 4.687,38 4.687,40 7.079,41 7.079,43 18.69,44 4.045,45 19.75,46 3.758,48 26.154,49 0.755,50 17.513,51 4.663,52 13.347,53 5.404,54 24.234,55 2,56 22.321,57 28.079,59 1.858,62 1.266,63 1,64 2.966,65 24.783,66 30.008,67 22.747,68 4.987,69 1.2,70 25.218,71 6.478}
{0 CHEMBL2205447,4 30.567,7 112.22,11 0.6,12 9,13 11.24,14 11.24,16 9,17 0.4,18 1,20 -0.051,22 22.984,23 3,25 7,27 0.612,28 1.923,29 163.509,30 0.744,31 12.717,32 0.944,34 4.227,35 2,36 0.186,37 4.687,38 4.687,39 1,40 7.079,41 7.079,43 18.654,44 4.046,45 19.75,46 3.781,48 26.099,49 0.755,50 17.475,51 4.635,52 13.325,53 5.408,54 24.177,55 2,56 22.263,57 28.027,59 1.894,62 1.284,63 1,64 3.075,65 27.81,66 29.959,67 22.702,68 4.987,69 1.72,70 25.179,71 6.559}
{0 CHEMBL2205448,4 24.097,7 102.99,11 0.4,12 9,13 11.24,14 11.24,16 5,20 -0.004,22 18.868,23 3,25 3,27 0.492,28 2.038,29 152.509,30 0.616,31 12.734,32 0.932,34 4.227,35 1,36 0.172,37 4.687,38 4.687,40 7.079,41 7.079,43 18.683,44 3.977,45 19.75,46 3.762,48 26.15,49 0.754,50 17.507,51 4.654,52 13.346,53 5.404,54 24.231,55 2,56 22.317,57 28.075,59 1.859,62 1.259,63 1,64 2.937,65 24.695,66 30.004,67 22.741,68 4.987,69 1.2,70 25.212,71 7.328}
{0 CHEMBL2205449,4 22.516,7 102.99,11 0.4,12 8,13 9.949,14 9.949,16 4,20 0.006,22 20.974,23 3,25 3,27 0.523,28 1.99,29 152.509,30 0.561,31 12.661,32 0.96,34 4.227,35 1,36 0.164,37 4.676,38 4.676,40 6.952,41 6.952,43 18.363,44 3.912,45 19.625,46 3.756,48 25.725,49 0.734,50 17.211,51 4.605,52 13.283,53 5.338,54 23.842,55 2,56 21.967,57 27.614,59 1.856,61 1,62 1.24,63 1,64 2.937,65 24.077,66 29.508,67 22.382,68 4.945,69 1.2,70 24.835,71 5.745}
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{0 CHEMBL2205456,4 25.678,7 102.99,11 0.4,12 10,13 10.613,14 10.613,16 6,20 -0.003,22 21.403,23 3,25 1,27 0.385,28 2.016,29 152.509,30 0.545,31 12.709,32 0.885,34 4.227,35 1,36 0.146,37 4.703,38 4.703,40 7.005,41 7.005,43 18.549,44 3.905,45 19.86,46 3.76,48 25.902,49 0.743,50 17.377,51 4.625,52 13.314,53 5.4,54 24.004,55 2,56 22.114,57 27.805,59 1.838,61 1,62 1.259,63 1,64 2.936,65 22.483,66 29.713,67 22.634,68 4.945,69 1.2,70 25.102,71 7.886}
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{0 CHEMBL2205459,4 35.863,7 154.47,11 0.86,12 7,13 11.244,14 11.244,16 8,17 0.86,18 3,20 -0.547,22 31.413,23 5,25 5,27 0.976,28 1.922,29 216.568,30 1.099,31 12.869,32 0.841,34 4.227,35 2,36 0.532,37 4.692,38 4.692,39 3,40 7.08,41 7.08,43 18.816,44 4.133,45 19.758,46 3.767,48 26.304,49 0.705,50 17.643,51 4.779,52 13.487,53 5.407,54 24.389,55 2,56 22.48,57 28.223,58 4,59 1.819,62 1.502,63 5,64 3.375,65 48.068,66 30.146,67 22.892,68 5.156,69 4.069,70 25.353,71 5.112}
{0 CHEMBL2205460,4 32.911,7 102.99,8 63.001,11 0.6,12 11,13 11.1,14 11.1,16 3,17 0.4,20 -0.702,22 36.895,23 3,27 0.494,28 2.629,29 167.469,30 0.78,31 12.99,32 1.23,33 4.844,34 19.187,35 1,36 0.222,37 4.703,38 4.703,40 6.985,41 6.985,42 1,43 18.76,44 3.86,45 19.777,46 3.777,48 26.089,49 0.695,50 17.591,51 4.956,52 13.509,53 5.386,54 24.197,55 2,56 22.311,57 27.987,59 1.872,61 1,62 1.239,63 1,64 3.223,65 28.216,66 29.888,67 22.813,68 5.198,69 1.36,70 25.275,71 5.056}
{0 CHEMBL2205461,4 25.678,7 157.01,8 95.422,11 0.4,12 5,13 9.913,14 9.913,16 7,20 -0.085,22 49.492,23 3,24 1.303,25 3,27 0.52,28 1.871,29 184.025,30 0.611,31 12.672,32 0.75,33 4.443,34 15.998,35 1,36 0.244,37 4.699,38 4.699,40 6.983,41 6.983,42 1,43 18.449,44 3.724,45 19.77,46 3.824,48 25.755,49 0.55,50 17.282,51 4.564,52 13.29,53 5.384,54 23.868,55 2,56 21.988,57 27.649,59 1.759,61 1,62 1.239,63 1,64 2.938,65 24.271,66 29.548,67 22.458,68 4.945,69 1.2,70 24.924,71 5.08}
{0 CHEMBL2205462,4 25.678,7 118.78,8 60.151,11 0.4,12 10,13 11.1,14 11.1,16 6,20 -0.058,22 21.931,23 3,27 0.474,28 2.386,29 152.509,30 0.555,31 12.938,32 0.837,33 4.844,34 8.515,35 1,36 0.179,37 4.707,38 4.707,40 6.983,41 6.983,42 1,43 18.722,44 3.839,45 19.77,46 3.76,48 26.034,49 0.729,50 17.55,51 4.898,52 13.545,53 5.385,54 24.139,55 2,56 22.25,57 27.935,59 1.891,61 1,62 1.257,63 1,64 3.185,65 22.425,66 29.84,67 22.781,68 5.27,69 1.2,70 25.248,71 5.301}
{0 CHEMBL2205463,4 36.133,7 115.46,11 0.6,12 6,13 9.913,14 9.913,16 8,17 0.6,20 -0.042,22 28.65,23 3,25 2,27 0.489,28 2.09,29 163.509,30 0.666,31 12.678,32 0.932,34 4.227,35 2,36 0.333,37 4.699,38 4.699,39 1,40 6.983,41 6.983,42 1,43 18.446,44 3.818,45 19.77,46 3.728,48 25.754,49 0.825,50 17.279,51 4.585,52 13.225,53 5.412,54 23.867,55 2,56 21.988,57 27.648,59 1.825,61 1,62 1.272,63 1,64 3.127,65 28.994,66 29.547,67 22.458,68 4.89,69 1.72,70 24.923,71 5.051}
{0 CHEMBL2205464,2 1,4 25.678,7 144.12,8 70.775,11 0.4,12 6,13 9.913,14 9.913,16 8,20 -0.053,22 46.665,23 3,24 1.556,25 2,27 0.496,28 1.994,29 169.294,30 0.595,31 12.678,32 0.799,33 4.595,34 4.973,35 2,36 0.241,37 4.699,38 4.699,40 6.983,41 6.983,42 1,43 18.474,44 3.722,45 19.77,46 3.754,48 25.764,49 0.469,50 17.307,51 4.564,52 13.326,53 5.412,54 23.876,55 2,56 21.996,57 27.658,59 1.757,61 1,62 1.239,63 1,64 2.999,65 24.011,66 29.558,67 22.471,68 5.037,69 1.2,70 24.936,71 5.544}
{0 CHEMBL2205465,4 31.738,7 112.22,8 70.775,11 0.6,12 6,13 9.913,14 9.913,16 9,17 0.4,18 1,20 -0.042,22 28.053,23 3,25 2,27 0.501,28 1.778,29 163.509,30 0.672,31 12.678,32 0.833,33 4.595,34 4.227,35 2,36 0.267,37 4.699,38 4.699,39 1,40 6.983,41 6.983,42 1,43 18.474,44 3.722,45 19.77,46 3.728,48 25.764,49 0.725,50 17.307,51 4.564,52 13.257,53 5.387,54 23.876,55 2,56 21.996,57 27.658,59 1.756,61 1,62 1.239,63 1,64 3.185,65 26.467,66 29.558,67 22.471,68 4.945,69 1.72,70 24.936,71 5.544}
{0 CHEMBL2205466,4 25.678,7 131.67,8 70.775,11 0.4,12 6,13 9.913,14 9.913,16 7,20 -0.073,22 17.214,23 3,25 2,27 0.527,28 1.643,29 169.172,30 0.655,31 12.678,32 0.883,33 4.595,34 6.371,35 2,36 0.246,37 4.699,38 4.699,40 6.983,41 6.983,42 1,43 18.474,44 3.691,45 19.77,46 3.74,48 25.764,49 0.469,50 17.307,51 4.564,52 13.326,53 5.385,54 23.876,55 2,56 21.996,57 27.658,59 1.76,61 1,62 1.239,63 1,64 2.999,65 25.377,66 29.558,67 22.471,68 5.037,69 1.2,70 24.936,71 5.833}
{0 CHEMBL2205467,4 14.61,7 65.18,13 11.24,14 11.24,16 4,20 0.378,22 8.27,23 2,25 5,27 0.388,28 1.038,29 118.938,30 0.416,31 12.258,32 0.789,36 0.063,37 4.686,38 4.686,40 7.079,41 7.079,42 1,43 18.598,44 3.455,45 19.749,46 3.608,48 26.033,49 0.469,50 17.406,51 3.97,52 12.957,53 5.343,54 24.095,56 22.161,57 27.974,59 1.501,61 1,62 1.107,64 2.669,65 15.087,66 29.917,67 22.669,68 4.527,69 1.2,70 25.155,71 4.495}
{0 CHEMBL2205468,4 14.61,7 78.07,12 3,13 11.24,14 11.24,16 4,20 0.262,22 8.27,23 2,25 5,27 0.402,28 0.97,29 135.723,30 0.467,31 12.258,32 0.829,36 0.073,37 4.686,38 4.686,40 7.079,41 7.079,42 1,43 18.598,44 3.407,45 19.749,46 3.606,48 26.033,49 0.469,50 17.406,51 3.97,52 12.957,53 5.366,54 24.095,56 22.161,57 27.974,58 1,59 1.501,61 1,62 1.1,64 2.669,65 18.418,66 29.917,67 22.669,68 4.527,69 1.2,70 25.155,71 4.357}
{0 CHEMBL2207839,4 36.346,7 305.7,8 235.656,9 1,10 1,11 1.964,12 11,13 10.353,14 10.353,15 5.305,16 6,17 1.932,19 1,20 -4.901,22 68.209,23 2,25 4,27 1.905,28 4.162,29 353.044,30 2.528,31 12.865,32 1.048,33 4.595,35 7,36 1.382,37 4.408,38 4.408,39 1,40 6.615,41 6.615,43 18.187,44 4.952,45 17.434,46 3.83,48 25.801,49 1.142,50 17.083,51 4.682,52 13.349,53 5.212,54 23.962,55 2,56 22.128,57 27.644,58 2,59 1.937,62 1.805,63 1,64 3.77,65 198.519,66 29.491,67 22.147,68 5.239,69 3.517,70 24.49,71 6.187}
{0 CHEMBL2207840,4 36.346,7 305.7,8 240.422,9 1,10 1,11 1.964,12 10,13 10.353,14 10.353,15 5.306,16 6,17 1.932,19 1,20 -5.023,22 70.744,23 2,25 4,27 1.877,28 4.287,29 353.044,30 2.472,31 12.871,32 1.035,33 4.595,35 7,36 1.374,37 4.408,38 4.408,39 1,40 6.615,41 6.615,43 18.187,44 4.971,45 17.434,46 3.83,48 25.801,49 1.215,50 17.083,51 4.691,52 13.351,53 5.212,54 23.962,55 2,56 22.128,57 27.644,58 2,59 1.944,62 1.81,63 1,64 3.771,65 198.586,66 29.491,67 22.147,68 5.239,69 3.517,70 24.49,71 6.77}
{0 CHEMBL2207841,4 36.346,7 305.7,8 235.552,9 1,10 1,11 1.964,12 11,13 10.353,14 10.353,15 5.297,16 6,17 1.932,19 1,20 -5.432,22 68.209,23 2,25 4,27 1.905,28 4.16,29 353.044,30 2.532,31 12.869,32 1.031,33 4.595,35 8,36 1.382,37 4.408,38 4.408,39 1,40 6.615,41 6.615,43 18.188,44 4.947,45 17.434,46 3.83,48 25.801,49 1.211,50 17.085,51 4.7,52 13.349,53 5.212,54 23.962,55 2,56 22.128,57 27.644,58 3,59 1.938,62 1.796,63 1,64 3.771,65 198.519,66 29.491,67 22.147,68 5.239,69 3.517,70 24.491,71 6.854}
{0 CHEMBL2207842,4 34.925,7 305.7,8 235.506,9 1,10 1,11 1.964,12 11,13 10.353,14 10.353,15 5.293,16 6,17 1.932,19 1,20 -5.818,22 68.209,23 3,25 3,27 1.93,28 4.159,29 353.044,30 2.515,31 12.877,32 1.014,33 4.595,35 9,36 1.382,37 4.408,38 4.408,39 1,40 6.615,41 6.615,43 18.198,44 4.939,45 17.434,46 3.83,48 25.806,49 1.149,50 17.094,51 4.7,52 13.35,53 5.212,54 23.967,55 2,56 22.132,57 27.65,58 3,59 1.942,62 1.795,63 1,64 3.78,65 198.491,66 29.497,67 22.155,68 5.239,69 3.517,70 24.5,71 5.959}
{0 CHEMBL2207843,4 36.836,6 1,7 281.53,8 432.258,9 1,10 1,11 1.964,12 14,13 10.452,14 10.452,15 5.389,16 9,17 1.932,19 1,20 -4.682,22 71.407,23 2,25 7,26 2.107,27 1.639,28 5.402,29 327.899,30 2.234,31 13.194,32 1.054,33 5.416,34 13.915,35 8,36 1.282,37 4.64,38 4.64,39 1,40 6.756,41 6.756,43 18.576,44 5.14,45 18.177,46 3.872,48 26.145,49 1.215,50 17.454,51 5.112,52 13.655,53 5.239,54 24.29,55 2,56 22.44,57 28.005,58 3,59 1.961,62 1.849,63 1,64 3.773,65 187.146,66 29.868,67 22.625,68 5.497,69 3.517,70 25.007,71 5.032}
{0 CHEMBL2207844,2 1,4 36.836,6 1,7 294.42,8 471.765,9 1,10 1,11 1.964,12 13,13 10.353,14 10.353,15 5.337,16 7,17 1.932,19 1,20 -4.769,22 66.261,23 3,25 5,26 1.875,27 1.791,28 4.521,29 344.684,30 2.343,31 12.982,32 1.049,33 5.283,34 11.771,35 9,36 1.36,37 4.408,38 4.408,39 1,40 6.615,41 6.615,43 18.241,44 4.993,45 17.434,46 3.851,47 1,48 25.841,49 1.162,50 17.14,51 4.844,52 13.445,53 5.213,54 24.005,55 3,56 22.174,57 27.681,58 4,59 1.954,62 1.815,63 1,64 3.773,65 189.978,66 29.525,67 22.183,68 5.316,69 3.517,70 24.524,71 6.495}
{0 CHEMBL2207845,2 1,4 35.004,6 1,7 294.42,8 465.793,9 1,10 1,11 1.964,12 13,13 10.353,14 10.353,15 5.349,16 7,17 1.932,19 1,20 -4.734,22 66.261,23 3,25 5,26 1.863,27 1.784,28 4.571,29 344.684,30 2.42,31 12.999,32 1.051,33 5.283,34 2.757,35 9,36 1.36,37 4.408,38 4.408,39 1,40 6.615,41 6.615,43 18.288,44 5.024,45 17.434,46 3.852,47 1,48 25.908,49 1.175,50 17.186,51 4.86,52 13.462,53 5.213,54 24.069,55 3,56 22.234,57 27.75,58 4,59 1.955,62 1.81,63 1,64 3.773,65 190.382,66 29.596,67 22.253,68 5.316,69 3.517,70 24.592,71 8.252}
{0 CHEMBL2207846,2 1,4 28.454,7 305.28,8 357.656,9 1,10 1,11 1.964,12 8,13 10.353,14 10.353,15 5.243,16 6,17 1.932,19 1,20 -4.835,22 43.228,23 3,25 3,27 2.072,28 2.935,29 344.684,30 2.673,31 12.799,32 1.063,33 5.209,34 11.771,35 8,36 1.437,37 4.408,38 4.408,39 1,40 6.615,41 6.615,43 18.197,44 4.69,45 17.434,46 3.826,47 1,48 25.799,49 1.013,50 17.089,51 4.595,52 13.283,53 5.213,54 23.957,55 2,56 22.119,57 27.644,58 3,59 1.849,62 1.7,63 1,64 3.773,65 190.016,66 29.493,67 22.156,68 5.173,69 3.517,70 24.501,71 4.796}
{0 CHEMBL221959,4 16.291,7 88.91,8 47.145,11 0.8,12 2,13 9.527,14 9.527,16 8,17 0.547,20 -0.09,22 20.601,23 2,25 6,27 0.483,28 2.188,29 89.775,30 0.462,31 12.415,32 0.917,33 4.595,34 14.099,36 0.278,37 4.557,38 4.557,40 6.803,41 6.803,42 1,43 17.727,44 3.743,45 18.665,46 3.517,48 25.418,49 0.679,50 16.596,51 4.382,52 12.797,53 5.236,54 23.545,55 3,56 21.676,57 27.295,59 1.696,61 1,62 1.284,63 3,64 3.345,65 22.406,66 29.176,67 21.945,68 4.511,69 5.231,70 24.369,71 5}
{0 CHEMBL222419,1 1,2 1,3 4,4 24.988,5 1,6 1,7 116.84,8 154.981,9 1,10 1,11 0.86,12 3,13 10.086,14 10.086,15 5.626,16 9,17 0.86,18 3,19 1,20 -0.568,21 1,22 64.975,23 1,24 1.223,25 7,26 1.849,27 0.689,28 2.831,29 146.976,30 0.64,31 12.842,32 1.146,33 5.416,34 3.503,35 1,36 0.441,37 4.663,38 4.663,39 3,40 6.768,41 6.768,43 18.14,44 4.081,45 18.424,46 3.996,47 1,48 25.735,49 0.641,50 17.006,51 4.89,52 13.313,53 5.34,54 23.871,55 1,56 22.012,57 27.603,58 1,59 1.704,60 1,62 1.506,63 4,64 3.321,65 37.864,66 29.474,67 22.254,68 5.121,69 2.302,70 24.655,71 9.097}
{0 CHEMBL223257,4 28.96,7 158.85,11 0.86,12 1,13 9.185,14 9.185,16 4,17 0.86,18 3,20 -0.643,22 52.3,23 3,25 5,27 1.269,28 1.946,29 247.29,30 1.333,31 12.42,32 0.977,34 11.418,35 3,36 0.728,37 4.388,38 4.388,39 3,40 6.323,41 6.323,42 1,43 17.131,44 4.271,45 16.406,46 3.556,48 24.811,49 0.733,50 16.066,51 4.575,52 12.903,53 5.054,54 23.01,55 1,56 21.215,57 26.616,58 2,59 1.799,62 1.305,63 4,64 3.33,65 66.067,66 28.425,67 21.012,68 4.732,69 4.069,70 23.313,71 5.2}
{0 CHEMBL223360,4 17.267,7 95.83,8 65.692,12 1,13 8.874,14 8.874,15 5.968,16 1,19 3,20 -0.515,22 35.512,25 2,27 0.337,28 2.037,29 89.665,30 0.323,31 12.583,32 0.98,33 4.727,34 23.708,36 0.223,37 4.661,38 4.661,40 6.879,41 6.879,42 1,43 17.795,44 3.569,45 18.697,46 3.796,48 25.428,49 0.408,50 16.664,51 4.533,52 13.15,53 5.253,54 23.554,56 21.688,57 27.31,59 1.694,60 1,61 1,62 1.298,64 3.12,65 22.404,66 29.198,67 22.085,68 4.997,69 2.912,70 24.529,71 5.05}
{0 CHEMBL223367,4 27.729,7 129.39,11 0.86,12 4,13 9.185,14 9.185,16 3,17 0.86,18 2,20 -0.571,22 50.719,23 2,25 4,27 0.826,28 2.108,29 193.607,30 0.872,31 12.373,32 0.944,34 11.418,35 2,36 0.517,37 4.388,38 4.388,39 2,40 6.322,41 6.322,42 1,43 17.113,44 4.238,45 16.404,46 3.556,48 24.79,49 0.734,50 16.046,51 4.522,52 12.869,53 5.062,54 22.986,55 1,56 21.186,57 26.599,58 2,59 1.754,61 1,62 1.278,63 3,64 3.292,65 47.33,66 28.411,67 21.005,68 4.677,69 4.069,70 23.307,71 6.014}
{0 CHEMBL223460,4 27.564,7 163.71,11 0.86,12 3,13 9.484,14 9.484,16 3,17 0.86,18 2,20 -0.676,22 45.221,23 3,25 3,27 0.987,28 2.44,29 195.237,30 1.099,31 12.475,32 0.967,34 11.418,35 2,36 0.762,37 4.658,38 4.658,39 2,40 6.52,41 6.52,42 1,43 17.841,44 4.216,45 17.133,46 3.865,48 25.245,49 0.733,50 16.727,51 4.554,52 13.297,53 5.202,54 23.416,55 2,56 21.592,57 27.078,58 4,59 1.783,62 1.251,63 3,64 3.577,65 80.301,66 28.914,67 21.661,68 5.19,69 4.069,70 23.991,71 5.617}
{0 CHEMBL225519,4 7.745,7 57.78,8 26.736,13 8.611,14 8.611,16 3,20 0.012,22 21.23,23 1,25 2,27 0.232,28 1.315,29 41.93,30 0.092,31 12.047,32 0.634,33 4.727,34 5.513,35 1,36 0.115,37 4.487,38 4.487,40 6.555,41 6.555,42 1,43 17.192,44 2.632,45 17.181,46 3.281,48 24.765,49 0.218,50 16.075,51 4.06,52 12.483,53 5.15,54 22.916,56 21.071,57 26.618,59 1.306,61 1,62 0.75,64 2.538,65 12.523,66 28.473,67 21.208,68 4.205,69 2.117,70 23.575,71 5.5}
{0 CHEMBL226403,4 7.745,7 70.67,8 47.783,12 2,13 9.627,14 9.627,16 7,20 -0.012,22 31.889,23 1,25 6,27 0.293,28 2.394,29 58.716,30 0.161,31 12.65,32 0.905,33 4.727,34 5.513,35 1,36 0.1,37 4.507,38 4.507,40 6.56,41 6.56,42 1,43 17.669,44 3.67,45 17.239,46 3.733,48 25.279,49 0.554,50 16.565,51 4.762,52 13.121,53 5.168,54 23.442,56 21.608,57 27.12,59 1.615,61 1,62 1.164,63 1,64 2.917,65 13.919,66 28.964,67 21.668,68 4.902,69 2.117,70 24.015,71 5.1}
{0 CHEMBL226471,4 9.373,7 57.78,8 42.292,12 1,13 9.981,14 9.981,16 4,20 -0.058,22 36.293,23 1,25 3,27 0.424,28 1.944,29 56.891,30 0.261,31 12.48,32 0.961,33 4.727,34 20.474,35 1,36 0.143,37 4.505,38 4.505,40 6.565,41 6.565,42 1,43 17.615,44 3.44,45 17.3,46 3.644,48 25.255,49 0.429,50 16.503,51 4.522,52 12.929,53 5.167,54 23.404,56 21.556,57 27.11,59 1.56,61 1,62 1.096,64 2.938,65 16.895,66 28.968,67 21.687,68 4.677,69 2.117,70 24.053,71 5.1}
{0 CHEMBL230011,3 5,4 10.638,7 144.06,9 1,10 3,12 1,13 9.753,14 9.753,15 11.587,16 2,22 19.971,23 3,25 6,27 0.385,28 1.843,29 218.303,30 0.335,31 12.661,32 1.162,34 4.227,35 3,36 0.206,37 4.649,38 4.649,40 6.774,41 6.774,42 1,43 17.827,44 3.861,45 18.39,46 3.793,48 25.404,49 0.185,50 16.691,51 4.82,52 13.143,53 5.279,54 23.539,55 2,56 21.681,57 27.275,59 1.52,61 1,62 1.142,63 1,64 2.762,65 19.459,66 29.151,67 21.999,68 5.007,70 24.426,71 5}
{0 CHEMBL2309006,4 22.317,6 2,7 88.65,8 107.303,11 0.473,13 13.895,14 13.895,16 11,17 0.297,20 -0.056,22 34.584,23 3,25 11,26 4.203,27 0.757,28 5.24,29 121.512,30 0.759,31 13.871,32 0.946,33 6.304,34 20.348,35 3,36 0.341,37 5.167,38 5.167,39 1,40 8.578,41 8.578,42 1,43 20.827,44 4.47,45 26.593,46 3.791,48 28.237,49 0.907,50 19.483,51 6.038,52 14.056,53 6.014,54 26.141,55 2,56 24.055,57 30.342,58 1,59 1.791,61 1,62 1.442,64 3.401,65 35.052,66 32.453,67 25.733,68 5.645,69 2.315,70 28.541,71 6.658}
{0 CHEMBL2309609,4 30.079,6 2,7 77.73,8 117.954,11 1.081,12 10,13 13.614,14 13.614,16 14,17 0.86,20 -0.107,22 42.475,25 16,26 4.568,27 0.59,28 6.453,29 72.29,30 0.914,31 13.932,32 1.016,33 6.009,34 20.348,35 2,36 0.432,37 5.131,38 5.131,39 2,40 8.023,41 8.023,43 20.304,44 5.003,45 24.412,46 3.885,48 27.662,49 1.072,50 19.011,51 6.131,52 14.073,53 5.865,54 25.646,55 3,56 23.639,57 29.686,58 4,59 1.999,62 1.642,63 3,64 3.685,65 33.192,66 31.717,67 25.051,68 5.712,69 2.357,70 27.756,71 5}
{0 CHEMBL231209,4 16.513,7 108.28,8 62.79,12 1,13 8.081,14 8.081,15 6.022,16 2,19 3,20 -0.442,22 62.206,24 1.61,25 1,27 0.31,28 2.453,29 89.788,30 0.23,31 12.519,32 0.933,33 4.727,34 34.081,36 0.218,37 4.666,38 4.666,40 6.884,41 6.884,42 1,43 17.716,44 3.533,45 18.662,46 3.802,48 25.321,49 0.308,50 16.579,51 4.522,52 13.07,53 5.293,54 23.442,56 21.572,57 27.209,59 1.595,60 1,61 1,62 1.069,64 2.946,65 17.653,66 29.104,67 22.031,68 4.902,69 2.912,70 24.486,71 5.1}
{0 CHEMBL2323729,2 1,4 28.262,7 299.49,8 357.656,11 1.987,12 8,13 10.353,14 10.353,16 6,17 1.952,20 -5.48,22 39.434,23 3,25 3,27 2.231,28 2.914,29 354.47,30 2.796,31 12.799,32 1.083,33 5.209,34 11.771,35 8,36 1.513,37 4.408,38 4.408,39 1,40 6.615,41 6.615,43 18.197,44 4.673,45 17.434,46 3.826,47 1,48 25.799,49 1.013,50 17.089,51 4.595,52 13.283,53 5.213,54 23.957,55 2,56 22.119,57 27.644,58 3,59 1.849,62 1.7,63 1,64 3.792,65 204.215,66 29.493,67 22.156,68 5.173,69 3.99,70 24.501,71 5.278}
{0 CHEMBL232601,4 21.007,7 101.44,8 57.169,11 1.058,12 10,13 10.703,14 10.703,16 7,17 0.555,20 -0.083,21 2,22 69.493,23 2,24 1.347,25 9,27 0.374,28 3.668,29 81.349,30 0.256,31 12.894,32 0.999,33 5.9,36 0.172,37 4.63,38 4.63,40 6.933,41 6.933,42 1,43 18.384,44 3.944,45 19.367,46 3.802,48 25.95,49 0.737,50 17.227,51 4.852,52 13.299,53 5.401,54 24.059,55 1,56 22.174,57 27.844,58 2,59 1.593,61 1,62 1.376,64 3.606,65 20.237,66 29.742,67 22.635,68 5.017,69 4.069,70 25.091,71 5}
{0 CHEMBL233001,4 13.436,7 81.13,8 45.607,12 3,13 10.672,14 10.672,16 2,20 -0.151,21 1,22 63.111,23 1,24 1.56,25 3,27 0.171,28 3.335,29 56.204,30 0.16,31 12.562,32 1.055,33 4.844,34 1.358,36 0.095,37 4.589,38 4.589,40 6.757,41 6.757,42 1,43 17.94,44 3.63,45 18.305,46 3.486,48 25.543,49 0.615,50 16.799,51 4.533,52 13.088,53 5.293,54 23.661,56 21.784,57 27.429,58 1,59 1.574,61 1,62 1.13,64 3.244,65 12.194,66 29.318,67 22.188,68 4.796,69 4.069,70 24.613,71 5}
{0 CHEMBL2332840,4 22.904,7 104.82,8 79.337,11 0.86,12 3,13 10.259,14 10.259,16 6,17 0.247,18 1,20 -0.722,22 30.822,23 2,25 2,27 1.355,28 1.754,29 170.408,30 1.072,31 12.615,32 0.866,33 4.595,34 9.09,35 1,36 1.046,37 4.547,38 4.547,39 1,40 7.24,41 7.24,42 1,43 18.506,44 3.593,45 19.593,46 3.838,48 26.051,49 0.264,50 17.325,51 4.533,52 13.258,53 5.346,54 24.12,55 2,56 22.197,57 27.991,59 1.64,61 1,62 1.125,63 3,64 3.236,65 141.777,66 29.936,67 22.707,68 5.066,69 5.335,70 25.195,71 5}
{0 CHEMBL2333163,4 59.105,7 295.45,11 1.893,12 16,13 9.783,14 9.783,16 5,17 1.058,18 1,20 -2.609,22 98.211,23 3,25 10,27 2.332,28 6.683,29 468.011,30 2.555,31 13.416,32 1.141,36 0.774,37 4.579,38 4.579,39 1,40 6.793,41 6.793,43 18.41,44 5.109,45 18.568,46 6.879,48 26.092,49 1.173,50 17.318,51 5.438,52 13.991,53 5.261,54 24.265,56 22.445,57 27.925,58 1,59 1.995,62 1.804,64 3.866,65 76.08,66 29.764,67 22.349,68 5.876,69 3.786,70 24.725,71 5.194}
{0 CHEMBL2333365,4 20.498,7 110.97,11 0.86,12 4,13 10.465,14 10.465,15 5.664,16 7,17 0.521,18 1,19 1,20 -0.391,22 47.679,25 11,27 1.002,28 3.057,29 145.101,30 0.978,31 12.805,32 1.084,33 2.708,34 17.288,36 0.466,37 4.864,38 4.864,39 1,40 7.276,41 7.276,42 1,43 18.727,44 4.044,45 20.259,46 3.838,48 26.294,49 0.892,50 17.541,51 4.836,52 13.538,53 5.38,54 24.368,55 2,56 22.449,57 28.226,59 1.823,60 1,62 1.374,64 3.236,65 62.132,66 30.165,67 22.922,68 5.359,69 5.9,70 25.416,71 5}
{0 CHEMBL234085,4 16.291,7 88.91,8 47.145,11 0.8,12 2,13 9.527,14 9.527,16 8,17 0.547,20 -0.09,22 20.601,23 2,25 6,27 0.483,28 2.188,29 89.775,30 0.462,31 12.415,32 0.917,33 4.595,34 14.099,36 0.278,37 4.557,38 4.557,40 6.803,41 6.803,42 1,43 17.727,44 3.743,45 18.665,46 3.517,48 25.418,49 0.679,50 16.596,51 4.382,52 12.797,53 5.236,54 23.545,55 3,56 21.676,57 27.295,59 1.696,61 1,62 1.284,63 3,64 3.345,65 22.406,66 29.176,67 21.945,68 4.511,69 5.231,70 24.369,71 5.1}
{0 CHEMBL2348417,4 30.008,7 136.64,8 81.239,11 0.4,12 4,13 10.284,14 10.284,16 6,17 0.4,18 1,20 0.348,22 73.818,23 2,24 1.657,25 9,27 0.687,28 3.102,29 151.548,30 0.557,31 12.791,32 1.063,33 4.727,34 17.173,35 3,36 0.344,37 4.521,38 4.521,39 1,40 6.544,41 6.544,43 17.755,44 4.245,45 17.244,46 3.906,48 25.463,49 0.916,50 16.661,51 4.927,52 13.282,53 5.171,54 23.622,55 1,56 21.786,57 27.308,58 2,59 1.868,62 1.435,64 3.135,65 31.578,66 29.157,67 21.869,68 5.075,69 2.117,70 24.228,71 5}
{0 CHEMBL241517,3 2,4 8.259,5 1,7 135.69,8 55.14,12 2,13 11.679,14 11.679,15 11.369,16 2,19 5,22 63.839,24 1.43,25 6,27 0.507,28 3.404,29 179.396,30 0.602,31 12.835,32 0.971,33 4.727,34 29.805,36 0.377,37 4.815,38 4.815,40 7.121,41 7.121,42 1,43 18.764,44 3.818,45 19.59,46 3.991,48 26.311,49 0.484,50 17.58,51 4.86,52 13.589,53 5.408,54 24.384,55 1,56 22.463,57 28.242,59 1.617,60 3,61 1,62 1.013,64 3.255,65 72.817,66 30.176,67 23.022,68 5.4,70 25.506,71 5}
{0 CHEMBL241682,3 2,4 22.207,5 2,7 161.72,8 98.576,10 1,11 0.247,12 2,13 11.704,14 11.704,15 11.405,16 5,19 4,20 -0.954,22 46.126,23 1,25 8,27 1.513,28 3.236,29 219.78,30 1.549,31 13.119,32 0.861,33 4.727,34 38.171,36 1.247,37 4.815,38 4.815,40 7.121,41 7.121,43 19.164,44 4.154,45 19.578,46 3.931,48 26.706,49 0.586,50 17.978,51 5.136,52 13.854,53 5.365,54 24.773,55 1,56 22.845,57 28.642,59 1.891,60 3,62 1.507,63 1,64 3.573,65 210.287,66 30.583,67 23.376,68 5.651,69 5.335,70 25.854,71 5}
{0 CHEMBL242237,1 1,4 23.955,7 113.16,11 0.4,13 8.083,14 8.083,15 5.367,16 3,19 2,20 -0.523,22 17.631,23 2,25 1,27 0.406,28 1.343,29 134.297,30 0.255,31 12.133,32 0.81,34 4.227,36 0.209,37 4.338,38 4.338,40 6.417,41 6.417,42 1,43 16.749,44 3.462,45 16.379,46 3.711,48 24.518,49 0.255,50 15.704,51 4.159,52 12.696,53 5.047,54 22.711,55 1,56 20.911,57 26.333,58 1,59 1.536,60 1,61 1,62 1.129,64 2.803,65 23.171,66 28.153,67 20.745,68 4.543,69 1.96,70 23.051,71 6.137}
{0 CHEMBL243088,4 23.408,7 107.37,11 0.4,13 8.083,14 8.083,16 3,20 -1.023,22 13.836,23 2,25 1,27 0.486,28 1.328,29 144.083,30 0.301,31 12.133,32 0.823,34 4.227,36 0.279,37 4.338,38 4.338,40 6.417,41 6.417,42 1,43 16.749,44 3.424,45 16.379,46 3.71,48 24.518,49 0.231,50 15.704,51 4.159,52 12.696,53 5.042,54 22.711,55 1,56 20.911,57 26.333,58 1,59 1.429,61 1,62 1.129,64 2.808,65 31.672,66 28.153,67 20.745,68 4.543,69 2.873,70 23.051,71 6.4}
{0 CHEMBL244378,4 21.251,7 115.82,8 62.342,11 0.4,13 9.272,14 9.272,16 5,20 -1.007,22 18.553,23 3,25 2,27 0.452,28 1.6,29 118.062,30 0.302,31 12.381,32 0.756,33 4.595,34 15.998,36 0.297,37 4.428,38 4.428,40 6.417,41 6.417,42 1,43 17.125,44 3.502,45 16.379,46 3.748,48 24.849,49 0.238,50 16.064,51 4.419,52 12.963,53 5.044,54 23.033,55 1,56 21.223,57 26.669,58 3,59 1.698,61 1,62 1.186,64 2.879,65 34.281,66 28.493,67 21.102,68 4.796,69 2.873,70 23.405,71 7.5}
{0 CHEMBL24828,4 25.914,7 59.51,11 0.8,12 6,13 8.93,14 8.93,16 8,17 0.4,18 2,22 46.338,23 1,25 8,27 0.653,28 2.944,29 70.531,30 0.614,31 12.585,32 0.935,34 17.288,35 1,36 0.356,37 4.577,38 4.577,39 2,40 6.59,41 6.59,43 17.487,44 4.064,45 17.498,46 3.771,48 25.125,49 0.825,50 16.392,51 4.7,52 13.017,53 5.183,54 23.296,55 1,56 21.475,57 26.959,58 1,59 1.661,62 1.376,63 1,64 2.915,65 26.488,66 28.798,67 21.507,68 4.902,69 1.72,70 23.87,71 5}
{0 CHEMBL248757,2 1,4 32.403,7 162.32,8 76.01,11 0.86,12 1,13 9.185,14 9.185,16 4,17 0.86,18 2,20 -0.571,22 77.428,23 4,24 1.537,25 3,27 0.873,28 2.218,29 167.709,30 0.901,31 12.492,32 0.854,33 4.443,34 12.777,35 2,36 0.544,37 4.389,38 4.389,39 2,40 6.323,41 6.323,42 1,43 17.161,44 4.217,45 16.407,46 3.865,48 24.841,49 0.685,50 16.1,51 4.625,52 13.004,53 5.08,54 23.042,55 1,56 21.249,57 26.643,58 1,59 1.704,62 1.405,63 3,64 3.277,65 38.176,66 28.45,67 21.035,68 4.796,69 4.069,70 23.331,71 5.192}
{0 CHEMBL249282,4 23.097,7 87.06,8 108.714,11 0.86,12 5,13 9.462,14 9.462,16 6,17 0.8,18 1,22 48.885,23 1,25 8,27 0.244,28 2.663,29 86.508,30 0.124,31 12.757,32 1.067,33 5.476,34 2.757,36 0.253,37 4.66,38 4.66,39 2,40 6.933,41 6.933,42 1,43 18.098,44 3.823,45 19.269,46 3.695,48 25.535,49 0.826,50 16.931,51 4.883,52 13.082,53 5.406,54 23.65,56 21.773,57 27.427,58 1,59 1.644,61 1,62 1.376,64 2.955,65 20.343,66 29.326,67 22.295,68 4.745,69 4.069,70 24.764,71 5.1}
{0 CHEMBL249697,3 3,4 12.293,7 68.24,8 28.063,9 1,13 8.489,14 8.489,15 5.541,16 3,22 18.485,25 5,27 0.179,28 1.629,29 66.468,30 0.123,31 12.439,32 0.749,33 4.727,34 7.229,35 1,36 0.141,37 4.786,38 4.786,40 6.991,41 6.991,42 1,43 18.001,44 3.342,45 19.444,46 3.448,47 1,48 25.482,49 0.463,50 16.818,51 4.511,52 12.958,53 5.323,54 23.575,55 1,56 21.675,57 27.395,59 1.645,61 1,62 1.131,64 2.562,65 14.081,66 29.314,67 22.333,68 4.808,69 0.8,70 24.832,71 5}
{0 CHEMBL253969,1 1,3 3,4 30.806,7 137.82,8 219.972,10 2,11 0.98,12 5,13 9.765,14 9.765,15 5.401,16 7,17 0.8,18 1,20 -1.389,21 1,22 96.598,23 4,24 0.79,25 1,27 1.613,28 2.482,29 139.083,30 0.789,31 12.464,32 0.881,33 5.283,34 39.011,35 2,36 0.611,37 4.5,38 4.5,39 1,40 6.743,41 6.743,43 17.644,44 3.911,45 17.77,46 3.831,48 25.329,49 0.754,50 16.53,51 4.344,52 12.956,53 5.208,54 23.465,55 1,56 21.608,57 27.2,58 2,59 1.751,62 1.449,63 2,64 3.435,65 54.83,66 29.076,67 21.835,68 4.832,69 2.912,70 24.234,71 5.1}
{0 CHEMBL255863,2 1,4 30.805,6 1,7 97.62,8 114.279,11 0.4,12 13,13 9.365,14 9.365,16 9,20 -0.574,22 33.13,23 1,25 6,26 1.466,27 0.855,28 2.634,29 137.167,30 1.472,31 12.879,32 1.073,33 4.595,34 13.67,35 1,36 0.955,37 4.516,38 4.516,40 7.125,41 7.125,43 18.452,44 4.214,45 18.855,46 3.859,47 1,48 26.016,49 0.692,50 17.298,51 4.927,52 13.438,53 5.283,54 24.12,55 2,56 22.234,57 27.92,58 2,59 1.796,62 1.566,63 1,64 3.065,65 141.288,66 29.83,67 22.49,68 5.223,69 5.335,70 24.919,71 5}
{0 CHEMBL256835,2 1,4 14.422,6 1,7 73.06,8 72.698,13 8.757,14 8.757,16 5,18 1,22 35.101,25 6,26 2.117,27 0.527,28 2.658,29 119,30 0.465,31 12.641,32 0.959,33 4.727,34 22.103,35 1,36 0.36,37 4.623,38 4.623,39 1,40 6.988,41 6.988,42 1,43 17.943,44 4.069,45 19.3,46 3.725,47 1,48 25.54,49 0.746,50 16.783,51 4.754,52 12.935,53 5.313,54 23.644,55 4,56 21.757,57 27.444,58 2,59 1.627,61 1,62 1.376,63 1,64 2.861,65 33.604,66 29.354,67 22.373,68 4.677,69 1.72,70 24.864,71 5.1}
{0 CHEMBL259084,4 25.112,7 87.47,11 0.4,12 3,13 10.436,14 10.436,16 7,20 -0.88,22 50.855,25 6,27 1.019,28 2.837,29 187.254,30 0.951,31 12.937,32 0.892,33 2.708,34 31.819,36 0.415,37 4.647,38 4.647,40 6.978,41 6.978,43 18.21,44 4.091,45 19.521,46 3.868,48 25.863,49 0.459,50 17.063,51 5.1,52 13.366,53 5.346,54 23.977,55 1,56 22.099,57 27.756,59 1.829,62 1.157,63 2,64 3.203,65 53.058,66 29.654,67 22.576,68 5.156,69 2.873,70 25.043,71 5.05}
{0 CHEMBL259380,3 3,4 16.551,7 102.21,9 1,10 1,13 8.894,14 8.894,15 11.463,16 2,20 0.965,22 19.894,23 2,25 2,27 0.247,28 1.385,29 116.151,30 0.186,31 12.113,32 0.898,33 2.708,34 6.555,35 1,36 0.169,37 4.461,38 4.461,40 6.515,41 6.515,42 1,43 17.085,44 3.097,45 17.118,46 3.389,48 24.772,49 0.218,50 15.989,51 4.234,52 12.606,53 5.107,54 22.933,55 1,56 21.1,57 26.614,59 1.413,61 1,62 0.985,64 2.277,65 18.643,66 28.461,67 21.149,68 4.388,69 1.972,70 23.504,71 4}
{0 CHEMBL259381,3 4,4 18.152,7 102.21,9 1,10 1,13 9.002,14 9.002,15 11.469,16 2,20 0.888,22 23.395,23 2,25 2,27 0.305,28 1.54,29 155.3,30 0.303,31 12.19,32 0.946,33 2.708,34 6.555,35 1,36 0.198,37 4.464,38 4.464,40 6.516,41 6.516,42 1,43 17.147,44 3.22,45 17.124,46 3.479,48 24.809,49 0.161,50 16.052,51 4.304,52 12.696,53 5.11,54 22.975,55 1,56 21.146,57 26.649,59 1.411,61 1,62 0.967,64 2.803,65 19.969,66 28.493,67 21.182,68 4.543,69 1.972,70 23.538,71 4}
{0 CHEMBL259850,4 21.215,7 137.31,8 68.02,11 0.86,12 4,13 7.366,14 7.366,16 4,17 0.564,18 1,20 -0.477,21 1,22 47.519,23 2,24 0.797,25 4,27 0.611,28 1.184,29 103.677,30 0.495,31 11.807,32 0.689,33 4.595,34 4.276,35 2,36 0.494,37 4.31,38 4.31,39 1,40 6.005,41 6.005,42 1,43 16.149,44 3.011,45 14.506,46 3.533,48 23.847,49 0.369,50 15.148,51 3.738,52 12.544,53 4.872,54 22.107,55 1,56 20.372,57 25.592,58 1,59 1.534,61 1,62 1.062,63 3,64 2.9,65 52.958,66 27.34,67 19.69,68 4.511,69 4.612,70 21.871,71 5.1}
{0 CHEMBL259922,4 23.925,6 1,7 110.76,8 154.379,12 3,13 9.327,14 9.327,16 9,20 -0.29,22 25.533,23 3,25 6,26 1.761,27 0.54,28 2.082,29 104.71,30 0.497,31 12.738,32 0.961,33 5.283,34 16.427,35 1,36 0.292,37 4.657,38 4.657,40 6.818,41 6.818,42 1,43 17.878,44 3.93,45 18.687,46 3.786,48 25.508,49 0.599,50 16.752,51 4.804,52 13.243,53 5.256,54 23.646,55 2,56 21.791,57 27.375,59 1.698,61 1,62 1.407,63 3,64 2.997,65 20.768,66 29.248,67 22.071,68 4.997,69 2.117,70 24.491,71 5.2}
{0 CHEMBL260092,4 29.567,7 117.32,10 1,11 0.986,13 10.133,14 10.133,15 5.911,16 2,17 0.4,20 0.115,22 30.97,23 2,25 2,27 0.91,28 2.106,29 153.279,30 1.028,31 12.605,32 0.819,33 2.708,34 8.932,36 0.967,37 4.453,38 4.453,40 7.116,41 7.116,42 1,43 18.339,44 3.733,45 18.668,46 3.796,48 25.934,49 0.375,50 17.179,51 4.663,52 13.196,53 5.253,54 24.024,55 1,56 22.121,57 27.851,59 1.762,61 1,62 1.316,64 3.318,65 145.317,66 29.773,67 22.444,68 4.966,69 5.335,70 24.88,71 5.1}
{0 CHEMBL260135,3 1,4 3.162,7 80.48,8 43.478,9 1,10 1,13 9.236,14 9.236,15 6.076,16 4,19 1,21 1,22 18.93,23 2,25 7,27 0.138,28 1.787,29 82.886,30 0.191,31 12.562,32 0.805,33 4.727,35 1,36 0.067,37 4.744,38 4.744,40 7.081,41 7.081,42 1,43 18.106,44 3.6,45 19.732,46 3.757,48 25.69,49 0.218,50 16.924,51 4.615,52 13.005,53 5.354,54 23.77,55 1,56 21.857,57 27.615,59 1.734,60 1,61 1,62 1.062,64 2.489,65 9.795,66 29.544,67 22.622,68 4.691,70 25.139,71 5.1}
{0 CHEMBL260620,3 2,4 18.152,7 102.21,9 1,10 1,12 2,13 8.913,14 8.913,15 11.468,16 2,20 0.91,22 23.395,23 2,25 2,27 0.315,28 1.54,29 155.3,30 0.277,31 12.181,32 0.886,33 2.708,34 6.555,35 1,36 0.198,37 4.462,38 4.462,40 6.515,41 6.515,42 1,43 17.123,44 3.199,45 17.119,46 3.501,48 24.797,49 0.218,50 16.03,51 4.317,52 12.694,53 5.109,54 22.963,55 1,56 21.135,57 26.636,59 1.41,61 1,62 0.947,64 2.843,65 19.963,66 28.479,67 21.159,68 4.543,69 1.972,70 23.514,71 4}
{0 CHEMBL261849,3 1,4 26.546,5 1,7 105.51,10 1,11 0.86,12 2,13 8.785,14 8.785,15 11.445,16 7,17 0.68,18 3,19 2,22 36.641,23 1,25 10,27 0.384,28 1.782,29 132.365,30 0.387,31 12.248,32 1.002,34 4.227,36 0.345,37 4.308,38 4.308,39 3,40 6.188,41 6.188,42 1,43 16.782,44 3.765,45 15.607,46 3.762,48 24.509,49 0.573,50 15.75,51 4.29,52 12.799,53 4.983,54 22.73,55 1,56 20.957,57 26.293,58 1,59 1.558,60 1,61 1,62 1.343,64 2.904,65 31.217,66 28.081,67 20.577,68 4.691,69 2.302,70 22.836,71 4.62}
{0 CHEMBL262433,4 17.267,7 134.06,8 65.675,10 2,13 8.874,14 8.874,15 5.95,16 4,19 1,20 -0.533,22 64.308,23 2,24 1.245,25 2,27 0.485,28 2.272,29 121.549,30 0.363,31 12.587,32 0.884,33 4.727,34 21.564,36 0.301,37 4.666,38 4.666,40 6.884,41 6.884,42 1,43 17.812,44 3.521,45 18.662,46 3.808,48 25.43,49 0.365,50 16.678,51 4.554,52 13.15,53 5.269,54 23.555,55 1,56 21.689,57 27.313,59 1.609,61 1,62 1.207,63 1,64 3.12,65 25.019,66 29.202,67 22.093,68 4.997,69 2.912,70 24.54,71 5.1}
{0 CHEMBL262623,3 1,4 13.389,7 76.19,10 1,13 8.858,14 8.858,15 5.853,16 2,20 1.003,22 17.995,23 2,25 2,27 0.205,28 1.336,29 83.254,30 0.142,31 12.008,32 0.88,33 2.708,34 4.656,36 0.128,37 4.428,38 4.428,40 6.493,41 6.493,42 1,43 16.937,44 2.975,45 16.806,46 3.367,48 24.715,49 0.218,50 15.852,51 4.127,52 12.504,53 5.082,54 22.875,55 1,56 21.038,57 26.56,59 1.334,61 1,62 0.917,64 2.22,65 13.44,66 28.406,67 21.073,68 4.205,69 1.972,70 23.414,71 4}
{0 CHEMBL263902,3 2,4 15.814,7 76.19,10 1,13 8.966,14 8.966,15 5.883,16 2,20 1.011,22 21.181,23 2,25 2,27 0.22,28 1.467,29 83.254,30 0.138,31 12.092,32 1.048,33 2.708,34 4.656,36 0.14,37 4.432,38 4.432,40 6.495,41 6.495,42 1,43 17.008,44 3.213,45 16.815,46 3.382,48 24.755,49 0.292,50 15.923,51 4.205,52 12.603,53 5.088,54 22.919,55 1,56 21.087,57 26.596,59 1.424,61 1,62 0.945,64 2.517,65 14.541,66 28.44,67 21.109,68 4.388,69 1.972,70 23.451,71 4.301}
{0 CHEMBL271381,4 20.842,7 102.41,8 67.192,9 1,11 0.247,12 1,13 8.723,14 8.723,15 5.989,16 3,18 1,19 2,20 -0.328,22 34.196,25 5,27 0.403,28 2.183,29 98.373,30 0.368,31 12.647,32 0.893,33 4.727,34 11.44,35 1,36 0.315,37 4.719,38 4.719,39 1,40 6.969,41 6.969,42 1,43 17.953,44 3.659,45 19.209,46 3.827,48 25.53,49 0.355,50 16.799,51 4.673,52 13.168,53 5.312,54 23.642,56 21.763,57 27.427,59 1.641,60 1,61 1,62 1.204,63 1,64 2.936,65 24.065,66 29.33,67 22.298,68 4.997,69 2.912,70 24.777,71 5.1}
{0 CHEMBL272453,4 19.564,7 102.41,8 70.341,11 0.247,12 3,13 8.742,14 8.742,15 5.925,16 4,18 1,19 3,20 -0.385,22 34.642,25 7,27 0.427,28 2.026,29 137.521,30 0.447,31 12.602,32 0.98,33 4.727,34 11.44,35 1,36 0.33,37 4.661,38 4.661,39 1,40 6.879,41 6.879,42 1,43 17.797,44 3.57,45 18.697,46 3.802,48 25.437,49 0.38,50 16.668,51 4.585,52 13.161,53 5.261,54 23.565,56 21.702,57 27.317,59 1.627,60 1,61 1,62 1.204,64 3.239,65 24.65,66 29.203,67 22.083,68 4.997,69 2.912,70 24.526,71 5.1}
{0 CHEMBL274064,2 1,3 2,4 17.439,6 1,7 81.65,8 65.41,9 1,13 8.743,14 8.743,15 5.79,16 5,19 1,22 31.756,23 1,25 4,26 2.168,27 0.333,28 2.326,29 98.214,30 0.321,31 12.57,32 1.033,33 4.727,34 19.616,35 1,36 0.227,37 4.622,38 4.622,40 6.988,41 6.988,42 1,43 17.916,44 3.971,45 19.297,46 3.705,47 1,48 25.517,49 0.624,50 16.754,51 4.663,52 12.888,53 5.311,54 23.615,55 2,56 21.723,57 27.425,58 1,59 1.593,61 1,62 1.278,63 1,64 2.703,65 25.1,66 29.338,67 22.364,68 4.62,69 0.8,70 24.857,71 5.1}
{0 CHEMBL278041,4 3.784,7 61.8,8 66.493,12 2,13 8.826,14 8.826,16 4,22 26.519,25 6,27 0.284,28 1.857,29 91.215,30 0.196,31 12.507,32 1.063,33 4.727,34 17.717,35 1,36 0.097,37 4.567,38 4.567,40 6.747,41 6.747,42 1,43 17.594,44 3.845,45 18.235,46 3.772,47 1,48 25.188,49 0.33,50 16.466,51 4.644,52 12.946,53 5.206,54 23.327,56 21.474,57 27.054,58 1,59 1.563,61 1,62 1.062,64 2.771,65 10.667,66 28.926,67 21.783,68 4.691,70 24.201,71 5}
{0 CHEMBL28626,4 15.98,7 131.36,13 10.139,14 10.139,16 4,18 1,20 -2.073,22 21.991,23 4,25 1,27 1.189,28 1.41,29 249.562,30 0.676,31 12.565,32 1.145,36 0.381,37 4.657,38 4.657,39 1,40 6.946,41 6.946,42 1,43 18.105,44 3.092,45 19.329,46 3.446,48 25.667,49 0.096,50 16.939,51 4.575,52 13.058,53 5.375,54 23.773,56 21.885,57 27.567,59 1.217,61 1,62 0.991,63 1,64 2.984,65 52.677,66 29.472,67 22.325,68 4.879,69 1.72,70 24.798,71 4.9}
{0 CHEMBL288441,4 34.549,7 82.88,11 0.86,12 5,13 9.396,14 9.396,16 9,17 0.86,18 3,22 53.803,23 3,25 6,27 0.747,28 3.275,29 159.142,30 0.835,31 12.799,32 1.096,35 1,36 0.459,37 4.641,38 4.641,39 3,40 6.744,41 6.744,43 17.88,44 4.291,45 18.287,46 3.736,48 25.491,49 0.825,50 16.762,51 4.913,52 13.258,53 5.25,54 23.646,56 21.808,57 27.343,59 1.782,62 1.481,63 3,64 3.291,65 28.265,66 29.199,67 21.97,68 5.085,69 4.069,70 24.37,71 5.745}
{0 CHEMBL289959,4 9.487,7 37.81,13 7.253,14 7.253,16 3,22 9.802,23 1,25 3,27 0.125,28 1.18,29 33.571,30 0.051,31 11.885,32 0.943,34 2.328,36 0.085,37 4.5,38 4.5,40 6.515,41 6.515,42 1,43 16.752,44 3.018,45 17.075,46 3.327,48 24.494,49 0.218,50 15.666,51 3.912,52 12.477,53 5.088,54 22.648,55 1,56 20.808,57 26.345,59 1.267,61 1,62 0.792,64 2.065,65 9.922,66 28.2,67 20.954,68 4.227,69 0.8,70 23.319,71 4.1}
{0 CHEMBL296468,4 26.932,7 133.59,8 156.977,11 0.4,12 5,13 8.732,14 8.732,16 3,17 0.149,20 0.079,21 1,22 89.352,24 1.492,25 9,27 0.565,28 2.923,29 68.223,30 0.298,31 12.228,32 1.318,33 5.283,34 5.449,35 1,36 0.278,37 4.469,38 4.469,40 7.118,41 7.118,42 1,43 18.171,44 3.732,45 18.723,46 3.749,48 25.704,49 0.614,50 16.999,51 4.078,52 12.803,53 5.526,54 23.781,55 1,56 21.866,57 27.634,58 2,59 1.637,61 1,62 1.353,63 1,64 3.55,65 26.577,66 29.57,67 22.226,68 4.575,69 6.545,70 24.679,71 5}
{0 CHEMBL296586,4 12.06,7 44.89,8 19.565,13 9.5,14 9.5,16 1,20 0.025,22 26.896,25 1,27 0.159,28 2.438,29 25.145,30 0.182,31 12.588,32 0.858,33 4.949,34 4.901,35 1,36 0.072,37 4.708,38 4.708,40 6.927,41 6.927,42 1,43 18.026,44 3.087,45 19.268,46 3.78,48 25.488,49 0.243,50 16.854,51 4.745,52 12.985,53 5.335,54 23.594,56 21.707,57 27.387,59 1.466,61 1,62 0.975,64 2.915,65 10.09,66 29.291,67 22.277,68 4.796,69 3.497,70 24.752,71 4}
{0 CHEMBL298445,4 20.028,5 1,7 150.78,8 62.456,9 1,12 4,13 8.528,14 8.528,15 5.708,16 6,19 1,22 46.063,23 1,24 1.348,25 6,27 0.39,28 1.689,29 134.001,30 0.42,31 12.246,32 0.928,33 4.727,34 3.257,35 3,36 0.322,37 4.442,38 4.442,40 6.5,41 6.5,42 1,43 17.15,44 3.317,45 16.97,46 3.715,48 24.789,49 0.264,50 16.069,51 4.174,52 12.885,53 5.103,54 22.968,55 2,56 21.153,57 26.616,58 3,59 1.643,61 1,62 0.983,63 1,64 2.83,65 44.343,66 28.448,67 21.093,68 4.783,69 4.612,70 23.428,71 6}
{0 CHEMBL300138,4 25.266,6 2,7 75.92,8 243.269,11 0.8,12 9,13 11.457,14 11.457,16 14,17 0.172,20 0.228,22 45.729,25 12,26 4.333,27 0.361,28 4.594,29 67.075,30 0.47,31 13.309,32 1.002,33 5.938,34 27.83,35 2,36 0.268,37 4.828,38 4.828,40 7.192,41 7.192,43 18.931,44 4.562,45 20.534,46 3.835,48 26.386,49 0.946,50 17.737,51 5.394,52 13.646,53 5.47,54 24.468,56 22.557,57 28.31,58 2,59 1.926,62 1.594,63 2,64 3.257,65 25.517,66 30.239,67 23.313,68 5.345,69 2.4,70 25.836,71 5}
{0 CHEMBL302449,4 16.148,6 2,7 62.75,8 86.04,11 0.473,12 2,13 11.818,14 11.818,16 9,20 -0.003,22 36.69,25 10,26 4.457,27 0.142,28 3.946,29 56.204,30 0.363,31 13.418,32 0.878,33 5.974,34 8.577,35 2,36 0.143,37 5.071,38 5.071,40 7.493,41 7.493,42 1,43 19.441,44 4.258,45 21.891,46 3.691,48 26.724,49 0.802,50 18.185,51 5.595,52 13.732,53 5.636,54 24.764,56 22.81,57 28.689,58 1,59 1.738,61 1,62 1.346,63 1,64 3.431,65 16.343,66 30.66,67 23.945,68 5.434,69 4.616,70 26.558,71 5.1}
{0 CHEMBL306380,3 1,4 13.493,6 1,7 69.62,8 39.995,10 3,13 10.827,14 10.827,15 6.076,16 8,19 1,22 15.744,23 3,25 6,26 1.912,27 0.368,28 1.682,29 83.131,30 0.284,31 12.598,32 0.78,33 4.844,34 2.328,36 0.16,37 4.815,38 4.815,40 7.354,41 7.354,42 1,43 18.858,44 3.668,45 20.8,46 3.524,48 26.284,49 0.469,50 17.632,51 4.595,52 13.147,53 5.517,54 24.326,55 2,56 22.374,57 28.247,59 1.485,61 1,62 1.239,63 2,64 2.67,65 18.685,66 30.214,67 23.179,68 4.89,70 25.728,71 5.1}
{0 CHEMBL316264,4 3.255,7 41.57,8 66.493,12 2,13 8.826,14 8.826,16 4,22 35.64,25 6,27 0.335,28 1.845,29 63.491,30 0.223,31 12.507,32 0.967,33 4.727,34 32.677,35 1,36 0.127,37 4.567,38 4.567,40 6.747,41 6.747,42 1,43 17.594,44 3.827,45 18.235,46 3.774,47 1,48 25.188,49 0.327,50 16.466,51 4.644,52 12.946,53 5.206,54 23.327,56 21.474,57 27.054,58 1,59 1.559,61 1,62 1.062,64 2.879,65 9.164,66 28.926,67 21.783,68 4.691,70 24.201,71 5.1}
{0 CHEMBL31965,4 31.688,7 88.61,11 0.86,12 5,13 8.858,14 8.858,16 7,17 0.8,18 1,20 -0.366,22 57.757,23 1,25 4,27 0.767,28 2.575,29 150.591,30 0.913,31 12.615,32 1.137,34 17.288,35 2,36 0.499,37 4.578,38 4.578,39 2,40 6.588,41 6.588,43 17.473,44 4.162,45 17.491,46 3.698,48 25.106,49 0.825,50 16.38,51 4.745,52 13.07,53 5.212,54 23.281,55 1,56 21.463,57 26.938,58 1,59 1.776,62 1.376,63 2,64 3.2,65 37.702,66 28.775,67 21.484,68 4.945,69 2.117,70 23.849,71 5}
{0 CHEMBL326282,4 14.609,7 50.19,13 10.031,14 10.031,16 6,20 -0.14,22 34.549,23 2,25 3,27 0.65,28 2.839,29 202.06,30 0.417,31 12.741,32 0.869,36 0.159,37 4.684,38 4.684,40 6.922,41 6.922,43 18.145,44 3.585,45 19.16,46 3.789,48 25.698,49 0.502,50 16.987,51 4.86,52 13.17,53 5.324,54 23.814,56 21.936,57 27.589,59 1.377,62 1.018,63 1,64 3.154,65 20.689,66 29.483,67 22.338,68 5.037,69 2.555,70 24.795,71 5.1}
{0 CHEMBL336961,4 12.06,7 57.78,8 19.565,13 9.5,14 9.5,16 2,20 -0.015,22 26.467,25 3,27 0.216,28 2.319,29 41.93,30 0.225,31 12.588,32 0.83,33 4.949,34 4.901,35 1,36 0.111,37 4.708,38 4.708,40 6.927,41 6.927,42 1,43 18.026,44 3,45 19.268,46 3.766,48 25.488,49 0.217,50 16.854,51 4.745,52 12.985,53 5.332,54 23.594,56 21.707,57 27.387,59 1.462,61 1,62 0.912,64 2.915,65 11.693,66 29.291,67 22.277,68 4.796,69 3.497,70 24.752,71 5.1}
{0 CHEMBL340384,3 1,4 17.465,7 98.21,10 2,12 4,13 9.714,14 9.714,15 5.404,16 9,19 1,20 -1.419,22 31.595,23 2,25 7,27 0.651,28 2.338,29 181.805,30 0.621,31 12.782,32 1.045,34 11.771,35 1,36 0.202,37 4.623,38 4.623,40 6.947,41 6.947,42 1,43 18.171,44 3.933,45 19.428,46 3.762,48 25.763,49 0.235,50 17.013,51 4.913,52 13.178,53 5.329,54 23.88,56 22.002,57 27.653,59 1.682,61 1,62 1.062,63 3,64 3.269,65 27.477,66 29.546,67 22.409,68 4.924,69 1.96,70 24.871,71 5.1}
{0 CHEMBL340921,3 1,4 18.125,7 98.21,10 2,12 5,13 9.714,14 9.714,15 5.437,16 10,19 1,20 -1.275,22 31.279,23 2,25 7,27 0.527,28 2.314,29 142.656,30 0.33,31 12.782,32 0.997,34 11.771,35 1,36 0.148,37 4.623,38 4.623,40 6.947,41 6.947,42 1,43 18.171,44 4.01,45 19.428,46 3.745,48 25.763,49 0.587,50 17.013,51 4.913,52 13.178,53 5.332,54 23.88,56 22.002,57 27.653,59 1.682,61 1,62 1.195,63 3,64 3.222,65 26.77,66 29.546,67 22.409,68 4.924,69 1.96,70 24.871,71 5.1}
{0 CHEMBL354676,4 11.723,7 41.13,13 6.953,14 6.953,20 -0.239,22 9.789,27 0.084,28 0.816,29 25.145,30 0.07,31 11.328,32 0.948,34 4.276,36 0.136,37 4.017,38 4.017,40 5.574,41 5.574,42 1,43 15.092,44 2.875,45 13.365,46 3.357,48 22.844,49 0.218,50 14.18,51 3.219,52 11.921,53 4.676,54 21.155,56 19.47,57 24.535,59 1.118,61 1,62 0.873,64 2.488,65 13.284,66 26.23,67 18.608,68 3.689,69 2.912,70 20.746,71 4.3}
{0 CHEMBL362558,4 24.978,6 1,7 95.71,8 213.756,11 0.8,12 4,13 11.588,14 11.588,16 12,17 0.791,20 -0.662,22 62.87,23 1,25 12,26 1.97,27 0.856,28 4.319,29 107.18,30 1.171,31 13.354,32 0.987,33 5.938,34 47.679,35 2,36 0.511,37 4.838,38 4.838,40 7.197,41 7.197,43 18.97,44 4.42,45 20.526,46 3.773,47 1,48 26.444,49 0.93,50 17.777,51 5.481,52 13.667,53 5.476,54 24.527,55 4,56 22.617,57 28.367,58 3,59 1.878,62 1.549,63 2,64 3.383,65 31.527,66 30.294,67 23.362,68 5.4,69 3.033,70 25.884,71 5.1}
{0 CHEMBL363648,4 13.583,7 83.12,8 79.97,12 7,13 8.722,14 8.722,16 6,20 -0.173,22 58.632,24 1.686,25 7,27 0.254,28 2.9,29 58.716,30 0.161,31 12.573,32 1.017,33 4.727,34 3.686,36 0.15,37 4.546,38 4.546,40 6.732,41 6.732,43 17.599,44 4.147,45 18.229,46 3.81,48 25.209,49 0.64,50 16.483,51 4.644,52 13.033,53 5.255,54 23.358,56 21.515,57 27.067,58 1,59 1.753,62 1.28,63 1,64 2.717,65 16.565,66 28.931,67 21.763,68 4.796,69 2.117,70 24.173,71 5.1}
{0 CHEMBL370199,1 1,4 15.289,5 2,7 155.41,8 84.746,11 0.98,13 8.39,14 8.39,15 5.242,16 2,19 1,20 -2.74,21 1,22 57.64,23 2,24 1.055,25 2,27 0.502,28 1.656,29 135.995,30 0.802,31 12.339,32 0.933,33 5.476,34 1.358,35 1,36 0.498,37 4.739,38 4.739,39 1,40 6.977,41 6.977,42 1,43 18.029,44 2.836,45 19.159,46 3.503,48 25.502,49 0.098,50 16.85,51 4.248,52 12.924,53 5.417,54 23.601,55 1,56 21.707,57 27.41,58 3,59 1.633,60 1,61 1,62 0.889,64 3.184,65 53.775,66 29.322,67 22.293,68 4.771,69 3.349,70 24.78,71 5.097}
{0 CHEMBL371206,4 22.161,7 121.17,8 68.307,10 1,12 2,13 8.259,14 8.259,15 6.088,16 3,19 2,20 -0.28,22 60.386,23 1,24 1.595,25 2,27 0.159,28 2.84,29 91.613,30 0.337,31 12.684,32 0.786,33 4.844,34 7.962,36 0.248,37 4.738,38 4.738,40 7.034,41 7.034,42 1,43 18.09,44 3.701,45 19.244,46 3.809,48 25.598,49 0.719,50 16.925,51 4.663,52 13.212,53 5.388,54 23.7,55 1,56 21.812,57 27.506,59 1.652,60 1,61 1,62 1.265,64 2.882,65 24.23,66 29.422,67 22.452,68 5.085,69 2.912,70 24.952,71 5.1}
{0 CHEMBL371239,4 10.564,7 80.47,8 98.641,11 0.293,12 3,13 9.604,14 9.604,16 2,20 0.125,22 54.596,24 1.468,25 6,27 0.228,28 2.713,29 41.808,30 0.174,31 12.518,32 1.177,33 5.416,34 4.115,36 0.2,37 4.657,38 4.657,40 6.756,41 6.756,42 1,43 17.782,44 3.441,45 18.276,46 3.716,48 25.335,49 0.676,50 16.644,51 4.564,52 12.915,53 5.336,54 23.467,55 1,56 21.604,57 27.208,59 1.57,61 1,62 1.31,64 2.766,65 12.783,66 29.085,67 21.901,68 4.663,69 2.293,70 24.318,71 4.699}
{0 CHEMBL371242,4 8.364,7 86.02,8 70.936,12 1,13 8.16,14 8.16,16 2,20 0.01,22 50.162,24 1.43,25 4,27 0.194,28 1.535,29 41.808,30 0.216,31 11.928,32 1.204,33 5.416,34 4.115,35 1,36 0.124,37 4.597,38 4.597,40 6.561,41 6.561,42 1,43 17.225,44 2.905,45 17.06,46 3.46,48 24.712,49 0.52,50 16.098,51 3.829,52 12.543,53 5.236,54 22.861,56 21.015,57 26.567,59 1.549,61 1,62 0.933,64 2.13,65 13.119,66 28.424,67 21.145,68 4.388,69 2.117,70 23.511,71 4.699}
{0 CHEMBL371695,1 1,3 3,4 14.371,7 129.11,8 96.56,9 1,12 2,13 9.63,14 9.63,15 5.388,16 3,19 1,20 -1.023,22 57.135,23 2,24 1.13,25 3,27 0.512,28 2.127,29 138.999,30 0.472,31 12.525,32 1.146,33 5.476,34 4.115,35 1,36 0.255,37 4.74,38 4.74,40 6.978,41 6.978,42 1,43 18.147,44 3.548,45 19.164,46 3.531,48 25.662,49 0.255,50 16.976,51 4.431,52 13.083,53 5.42,54 23.764,56 21.871,57 27.566,58 2,59 1.579,60 1,61 1,62 1.018,64 3.168,65 30.827,66 29.474,67 22.408,68 4.89,69 2.117,70 24.882,71 4.638}
{0 CHEMBL373001,4 10.17,7 86.02,8 86.062,12 2,13 8.175,14 8.175,16 2,20 -0.05,22 48.279,24 1.407,25 4,27 0.204,28 1.824,29 41.808,30 0.207,31 12.112,32 1.015,33 5.416,34 4.115,35 1,36 0.118,37 4.597,38 4.597,40 6.561,41 6.561,42 1,43 17.262,44 3.132,45 17.062,46 3.537,48 24.765,49 0.519,50 16.145,51 4.025,52 12.729,53 5.238,54 22.923,56 21.088,57 26.611,59 1.549,61 1,62 1.062,64 2.722,65 12.097,66 28.462,67 21.169,68 4.543,69 2.162,70 23.53,71 4.796}
{0 CHEMBL373598,4 29.592,7 138.62,11 0.86,12 2,13 9.185,14 9.185,16 5,17 0.86,18 3,20 -0.602,22 54.835,23 3,25 5,27 1.088,28 1.947,29 204.607,30 1.123,31 12.383,32 0.974,34 11.418,35 3,36 0.637,37 4.388,38 4.388,39 3,40 6.322,41 6.322,42 1,43 17.113,44 4.25,45 16.405,46 3.556,48 24.791,49 0.733,50 16.046,51 4.543,52 12.872,53 5.052,54 22.986,55 1,56 21.186,57 26.599,58 2,59 1.793,61 1,62 1.305,63 4,64 3.326,65 52.894,66 28.411,67 21.005,68 4.677,69 4.069,70 23.307,71 5.897}
{0 CHEMBL374440,2 1,4 26.008,6 1,7 97.54,8 158.151,11 1.151,12 4,13 11.105,14 11.105,16 8,17 0.86,18 3,21 1,22 64.548,24 1.143,25 8,26 1.749,27 0.9,28 2.62,29 125.725,30 0.629,31 12.865,32 1.376,33 5.416,34 3.503,36 1.129,37 4.659,38 4.659,39 3,40 7.247,41 7.247,43 18.76,44 3.931,45 19.718,46 3.905,47 1,48 26.291,49 0.575,50 17.578,51 4.86,52 13.44,53 5.417,54 24.365,55 1,56 22.445,57 28.223,58 1,59 1.624,62 1.44,63 4,64 3.342,65 150.954,66 30.16,67 22.978,68 5.156,69 5.86,70 25.46,71 6.155}
{0 CHEMBL375284,4 14.148,7 69.81,8 60.531,12 1,13 7.945,14 7.945,16 1,20 -0.264,22 24.063,25 2,27 0.117,28 1.873,29 41.808,30 0.196,31 12.406,32 0.895,33 4.595,34 6.42,36 0.166,37 4.575,38 4.575,40 6.693,41 6.693,42 1,43 17.334,44 3.489,45 17.999,46 3.788,48 25.01,49 0.425,50 16.234,51 4.431,52 12.97,53 5.168,54 23.161,56 21.321,57 26.867,59 1.645,61 1,62 1.187,64 2.742,65 17.799,66 28.731,67 21.543,68 4.796,69 2.912,70 23.943,71 5.1}
{0 CHEMBL377300,4 16.375,7 84.67,8 114.081,12 2,13 10.635,14 10.635,16 3,18 2,22 41.818,25 8,27 0.757,28 1.933,29 113.092,30 0.686,31 12.749,32 0.9,33 5.476,34 38.591,35 1,36 0.381,37 4.697,38 4.697,39 2,40 6.894,41 6.894,42 1,43 18.218,44 3.755,45 18.834,46 3.507,48 25.725,49 0.725,50 17.061,51 4.745,52 13.273,53 5.318,54 23.836,55 2,56 21.954,57 27.619,59 1.792,61 1,62 1.234,63 2,64 2.899,65 31.722,66 29.517,67 22.401,68 5.13,69 1.72,70 24.853,71 5}
{0 CHEMBL377383,3 2,4 18.149,7 119.76,9 1,10 2,11 0.86,12 2,13 9.795,14 9.795,15 5.765,16 2,17 0.473,18 1,20 -0.448,22 29.968,23 2,25 7,27 0.609,28 1.849,29 169.289,30 0.62,31 12.243,32 0.698,34 4.815,35 2,36 0.467,37 4.801,38 4.801,39 1,40 7.111,41 7.111,42 1,43 18.256,44 3.514,45 18.545,46 3.754,48 25.837,49 0.602,50 17.088,51 4.159,52 13.242,53 5.233,54 23.919,55 2,56 22.009,57 27.76,59 1.695,60 1,61 1,62 1.117,64 3.323,65 59.967,66 29.688,67 22.317,68 5.112,69 5.9,70 24.76,71 5.076}
{0 CHEMBL377408,3 2,4 18.249,5 1,7 169.57,9 1,10 3,11 0.86,12 3,13 10.156,14 10.156,15 10.934,16 5,17 0.473,18 1,19 2,20 -0.605,22 29.653,23 3,25 5,27 0.615,28 1.772,29 192.491,30 0.782,31 12.359,32 0.79,34 4.815,35 4,36 0.523,37 4.842,38 4.842,39 1,40 7.247,41 7.247,42 1,43 18.49,44 3.548,45 19.718,46 3.723,48 26.061,49 0.511,50 17.302,51 4.19,52 13.326,53 5.35,54 24.124,55 2,56 22.193,57 28.004,59 1.66,60 2,61 1,62 1.265,63 2,64 3.568,65 84.257,66 29.952,67 22.725,68 5.112,69 4.069,70 25.219,71 5.1}
{0 CHEMBL378627,3 1,4 29.502,7 162.01,10 3,11 1.987,12 3,13 10.099,14 10.099,15 5.89,16 10,17 0.86,18 3,20 -0.473,22 35.547,23 4,25 7,27 0.935,28 2.391,29 183.2,30 1.226,31 12.609,32 0.775,34 7.143,35 1,36 0.657,37 4.856,38 4.856,39 3,40 7.258,41 7.258,42 1,43 18.594,44 3.964,45 19.808,46 3.801,48 26.123,49 0.635,50 17.406,51 4.564,52 13.446,53 5.344,54 24.192,55 2,56 22.27,57 28.06,58 2,59 1.745,61 1,62 1.408,63 5,64 3.641,65 78.858,66 30.004,67 22.797,68 5.293,69 5.9,70 25.291,71 5.076}
{0 CHEMBL379218,3 2,4 11.017,7 76.82,8 66.035,12 2,13 8.979,14 8.979,15 6.214,16 4,18 1,19 2,22 29.401,25 7,27 0.244,28 2.103,29 77.346,30 0.274,31 12.403,32 0.978,33 4.727,34 2.757,36 0.115,37 4.558,38 4.558,39 1,40 6.522,41 6.522,42 1,43 17.254,44 3.746,45 16.757,46 3.794,48 24.887,49 0.733,50 16.168,51 4.431,52 12.935,53 5.149,54 23.061,56 21.243,57 26.718,59 1.772,60 1,61 1,62 1.222,64 2.815,65 18.259,66 28.555,67 21.228,68 4.745,69 1.72,70 23.563,71 5}
{0 CHEMBL379835,4 18.095,6 1,7 60.05,8 35.412,13 10.024,14 10.024,16 10,20 -0.192,21 1,22 25.603,23 1,25 8,26 1.57,27 0.511,28 2.163,29 123.762,30 0.371,31 12.833,32 0.827,33 4.844,35 1,36 0.152,37 4.767,38 4.767,40 7.219,41 7.219,42 1,43 18.647,44 3.526,45 20.72,46 3.707,48 26.057,49 0.26,50 17.431,51 4.875,52 13.136,53 5.47,54 24.129,55 1,56 22.207,57 27.991,59 1.572,61 1,62 1.062,63 3,64 3.122,65 12.308,66 29.931,67 23.01,68 4.844,69 3.225,70 25.561,71 5.1}
{0 CHEMBL382070,1 1,3 1,4 12.769,7 157.35,8 138.415,9 1,13 8.646,14 8.646,15 5.367,16 2,19 1,20 -0.836,22 83.085,23 2,24 2.494,25 4,27 0.34,28 2,29 99.85,30 0.433,31 12.442,32 1.342,33 5.778,34 17.245,35 1,36 0.233,37 4.74,38 4.74,40 6.977,41 6.977,42 1,43 18.06,44 3.354,45 19.161,46 3.531,48 25.537,49 0.513,50 16.884,51 4.357,52 12.992,53 5.42,54 23.637,56 21.745,57 27.442,58 2,59 1.55,60 1,61 1,62 0.999,64 3.161,65 28.544,66 29.353,67 22.32,68 4.783,69 2.117,70 24.802,71 4}
{0 CHEMBL38380,4 13.45,7 70.68,13 9.593,14 9.593,16 3,22 17.654,25 8,27 0.431,28 3.018,29 61.098,30 0.084,31 12.334,32 0.988,33 2.708,35 2,36 0.343,37 4.982,38 4.982,40 7.733,41 7.733,42 1,43 19.071,44 3.429,45 22.349,46 3.575,48 26.682,49 0.536,50 17.812,51 4.234,52 13.195,53 5.56,54 24.657,55 3,56 22.638,57 28.711,58 3,59 1.575,61 1,62 1.048,64 2.507,65 44.605,66 30.743,67 23.755,68 4.89,69 0.8,70 26.399,71 5.1}
{0 CHEMBL384304,4 28.462,7 135.89,10 2,11 0.4,13 11.501,14 11.501,15 5.867,16 8,18 1,19 1,20 -0.908,22 48.498,23 3,25 1,27 1.469,28 2.767,29 176.846,30 0.992,31 12.65,32 0.664,34 34.147,36 0.752,37 4.743,38 4.743,39 1,40 7.111,41 7.111,42 1,43 18.591,44 3.69,45 19.141,46 3.801,48 26.196,49 0.786,50 17.419,51 4.564,52 13.406,53 5.318,54 24.274,55 4,56 22.358,57 28.123,58 4,59 1.726,61 1,62 1.375,63 3,64 3.251,65 88.598,66 30.054,67 22.795,68 5.255,69 1.72,70 25.261,71 5}
{0 CHEMBL385478,4 9.487,7 66.49,8 41.985,12 2,13 8.129,14 8.129,16 5,22 24.802,23 1,25 3,27 0.232,28 2.181,29 50.357,30 0.189,31 12.309,32 1.069,33 4.727,34 13.67,36 0.185,37 4.594,38 4.594,40 6.71,41 6.71,42 1,43 17.36,44 3.496,45 18.065,46 3.649,48 24.981,49 0.787,50 16.242,51 4.357,52 12.73,53 5.207,54 23.119,55 1,56 21.264,57 26.85,59 1.627,61 1,62 1.154,64 2.483,65 17.212,66 28.724,67 21.573,68 4.477,69 0.8,70 23.983,71 5.1}
{0 CHEMBL386051,4 23.154,7 85.11,11 0.4,12 1,13 10.134,14 10.134,16 5,17 0.293,20 0.175,22 62.017,23 1,25 6,27 0.529,28 2.63,29 137.013,30 0.517,31 12.736,32 1.031,34 4.227,36 0.276,37 4.617,38 4.617,40 6.941,41 6.941,43 18.11,44 3.865,45 19.318,46 3.883,48 25.708,49 0.626,50 16.956,51 4.779,52 13.162,53 5.334,54 23.822,55 3,56 21.944,57 27.6,58 1,59 1.608,62 1.177,63 2,64 3.302,65 15.962,66 29.498,67 22.344,68 4.934,69 5.9,70 24.808,71 5}
{0 CHEMBL387971,4 22.157,7 98.93,8 223.626,11 0.86,12 3,13 9.67,14 9.67,16 6,17 0.8,20 0.041,22 83.517,23 1,24 1.547,25 8,27 0.345,28 3.56,29 63.808,30 0.196,31 12.96,32 1.191,33 5.861,34 49.947,36 0.365,37 4.769,38 4.769,39 2,40 7.165,41 7.165,43 18.56,44 4.12,45 20.255,46 3.745,48 25.916,49 0.825,50 17.358,51 5.05,52 13.276,53 5.526,54 24.001,56 22.096,57 27.839,58 1,59 1.782,62 1.51,63 1,64 3.042,65 27.231,66 29.77,67 22.859,68 4.89,69 2.837,70 25.393,71 5.1}
{0 CHEMBL389745,3 1,4 43.255,7 125.47,11 0.86,12 5,13 10.338,14 10.338,15 5.991,16 5,17 0.86,18 1,19 1,20 -0.381,22 57.332,23 1,25 8,27 0.536,28 3.803,29 105.187,30 0.556,31 13.121,32 0.977,33 2.708,35 1,36 0.332,37 4.649,38 4.649,39 2,40 7.644,41 7.644,43 19.099,44 4.483,45 21.378,46 3.872,48 26.761,49 0.968,50 17.89,51 5.231,52 13.579,53 5.612,54 24.79,56 22.831,57 28.741,59 1.894,60 2,62 1.517,64 3.126,65 36.915,66 30.731,67 23.561,68 5.316,69 3.497,70 26.134,71 5}
{0 CHEMBL392642,4 23.167,7 146.98,11 0.657,12 8,13 8.987,14 8.987,15 5.756,17 0.4,19 2,22 60.395,23 3,27 0.752,28 2.963,29 117.215,30 0.365,31 12.287,32 0.961,34 4.227,35 1,36 0.33,37 4.418,38 4.418,40 6.424,41 6.424,42 1,43 16.973,44 3.923,45 16.422,46 3.766,48 24.795,49 0.825,50 15.922,51 4.331,52 12.775,53 5.024,54 22.983,55 2,56 21.178,57 26.612,59 1.71,60 2,61 1,62 1.407,63 4,64 2.9,65 52.848,66 28.433,67 21,68 4.649,69 5.9,70 23.295,71 6.4}
{0 CHEMBL394619,4 17.311,7 108.28,8 62.79,12 1,13 8.081,14 8.081,15 6.049,16 2,19 3,20 -0.275,22 56.27,24 1.64,25 1,27 0.121,28 2.536,29 74.828,30 0.203,31 12.519,32 0.89,33 4.727,34 19.121,36 0.184,37 4.666,38 4.666,40 6.884,41 6.884,42 1,43 17.716,44 3.595,45 18.662,46 3.802,48 25.321,49 0.611,50 16.579,51 4.522,52 13.07,53 5.293,54 23.442,56 21.572,57 27.209,59 1.615,60 1,61 1,62 1.244,64 2.744,65 19.793,66 29.104,67 22.031,68 4.902,69 2.912,70 24.486,71 5.1}
{0 CHEMBL394790,4 16.486,7 108.28,8 62.79,12 1,13 8.081,14 8.081,15 6.039,16 2,19 3,20 -0.334,22 56.585,24 1.63,25 1,27 0.231,28 2.554,29 113.976,30 0.188,31 12.519,32 0.923,33 4.727,34 19.121,36 0.199,37 4.666,38 4.666,40 6.884,41 6.884,42 1,43 17.716,44 3.57,45 18.662,46 3.823,48 25.321,49 0.31,50 16.579,51 4.522,52 13.07,53 5.293,54 23.442,56 21.572,57 27.209,59 1.589,60 1,61 1,62 1.062,64 2.965,65 17.83,66 29.104,67 22.031,68 4.902,69 2.912,70 24.486,71 5.1}
{0 CHEMBL396523,4 21.251,7 115.82,8 62.342,11 0.4,12 1,13 9.272,14 9.272,16 4,20 -1.006,22 18.553,23 2,25 3,27 0.457,28 1.601,29 118.062,30 0.345,31 12.381,32 0.913,33 4.595,34 6.371,35 1,36 0.297,37 4.428,38 4.428,40 6.417,41 6.417,42 1,43 17.125,44 3.509,45 16.379,46 3.748,48 24.849,49 0.336,50 16.064,51 4.419,52 12.963,53 5.044,54 23.033,55 1,56 21.223,57 26.669,58 1,59 1.64,61 1,62 1.198,64 2.879,65 34.95,66 28.493,67 21.102,68 4.796,69 2.873,70 23.405,71 6.8}
{0 CHEMBL398951,4 24.866,7 87.06,8 123.648,11 0.86,12 4,13 9.462,14 9.462,16 8,17 0.8,18 1,22 53.954,23 1,25 10,27 0.28,28 2.951,29 86.508,30 0.272,31 12.767,32 0.886,33 5.476,34 2.757,36 0.219,37 4.66,38 4.66,39 2,40 6.933,41 6.933,42 1,43 18.098,44 3.902,45 19.269,46 3.707,48 25.535,49 0.831,50 16.931,51 4.89,52 13.086,53 5.406,54 23.65,56 21.774,57 27.427,59 1.781,61 1,62 1.411,64 2.929,65 21.831,66 29.326,67 22.295,68 4.745,69 4.069,70 24.764,71 5.1}
{0 CHEMBL402272,4 10.907,7 96.69,8 29.04,13 8.732,14 8.732,15 5.53,16 3,19 1,20 -0.046,22 22.7,23 1,25 2,27 0.312,28 1.287,29 91.613,30 0.146,31 12.129,32 0.867,33 4.727,34 7.413,35 1,36 0.209,37 4.492,38 4.492,40 6.557,41 6.557,42 1,43 17.248,44 2.707,45 17.203,46 3.293,48 24.803,49 0.136,50 16.133,51 4.143,52 12.584,53 5.185,54 22.958,55 1,56 21.119,57 26.652,58 1,59 1.306,61 1,62 0.689,64 2.631,65 20.158,66 28.505,67 21.24,68 4.388,69 2.117,70 23.607,71 5.947}
{0 CHEMBL402548,4 32.814,7 93.8,8 180.491,11 1.058,12 6,13 10.1,14 10.1,16 6,17 0.8,20 -0.354,22 39.442,23 1,25 8,27 0.572,28 3.123,29 77.953,30 0.45,31 12.844,32 1.166,33 5.416,34 5.085,35 2,36 0.423,37 4.481,38 4.481,39 1,40 6.687,41 6.687,43 17.966,44 4.167,45 18.063,46 3.846,48 25.607,49 0.924,50 16.851,51 4.883,52 13.134,53 5.235,54 23.757,55 1,56 21.911,57 27.462,58 3,59 1.804,62 1.526,63 2,64 3.297,65 29.396,66 29.321,67 22.042,68 4.868,69 3.862,70 24.42,71 5.456}
{0 CHEMBL402846,4 20.429,6 1,7 97.86,8 67.94,9 1,13 8.875,14 8.875,15 6.051,16 3,19 1,20 -0.525,22 35.512,25 4,26 1.686,27 0.365,28 2.092,29 106.451,30 0.347,31 12.677,32 0.974,33 4.844,34 23.708,35 1,36 0.289,37 4.726,38 4.726,40 6.97,41 6.97,42 1,43 18.05,44 3.656,45 19.198,46 3.802,48 25.604,49 0.588,50 16.897,51 4.605,52 13.233,53 5.311,54 23.719,56 21.842,57 27.497,59 1.759,60 1,61 1,62 1.381,63 1,64 3.121,65 25.633,66 29.397,67 22.334,68 5.085,69 2.912,70 24.805,71 5.1}
{0 CHEMBL404367,4 20.473,6 1,7 97.86,8 65.027,9 1,13 8.672,14 8.672,15 6.07,16 3,19 1,20 -0.293,22 26.391,25 4,26 1.715,27 0.164,28 2.027,29 91.491,30 0.262,31 12.615,32 0.878,33 4.844,34 8.748,35 1,36 0.235,37 4.726,38 4.726,40 6.97,41 6.97,42 1,43 17.976,44 3.659,45 19.198,46 3.797,48 25.513,49 0.614,50 16.819,51 4.575,52 13.16,53 5.309,54 23.623,56 21.743,57 27.412,59 1.759,60 1,61 1,62 1.379,63 1,64 2.759,65 22.782,66 29.317,67 22.286,68 4.997,69 2.912,70 24.764,71 5.1}
{0 CHEMBL405233,3 1,4 15.814,7 76.19,10 1,12 2,13 8.878,14 8.878,15 5.877,16 2,20 1.007,22 21.181,23 2,25 2,27 0.217,28 1.467,29 83.254,30 0.155,31 12.082,32 0.937,33 2.708,34 4.656,36 0.14,37 4.43,38 4.43,40 6.494,41 6.494,42 1,43 16.981,44 3.143,45 16.807,46 3.389,48 24.742,49 0.231,50 15.898,51 4.22,52 12.601,53 5.084,54 22.906,55 1,56 21.076,57 26.582,59 1.427,61 1,62 1.062,64 2.538,65 14.43,66 28.425,67 21.085,68 4.388,69 1.972,70 23.424,71 4}
{0 CHEMBL407265,4 14.99,7 76.19,10 1,12 2,13 8.878,14 8.878,15 5.856,16 2,20 0.949,22 21.496,23 2,25 2,27 0.277,28 1.491,29 122.402,30 0.227,31 12.082,32 0.866,33 2.708,34 4.656,36 0.161,37 4.43,38 4.43,40 6.494,41 6.494,42 1,43 16.981,44 3.09,45 16.807,46 3.484,48 24.742,49 0.218,50 15.898,51 4.22,52 12.601,53 5.084,54 22.906,55 1,56 21.076,57 26.582,59 1.327,61 1,62 0.861,64 2.824,65 15.24,66 28.425,67 21.085,68 4.388,69 1.972,70 23.424,71 4}
{0 CHEMBL407532,3 2,4 14.99,7 76.19,10 1,13 8.966,14 8.966,15 5.857,16 2,20 0.926,22 21.496,23 2,25 2,27 0.266,28 1.491,29 122.402,30 0.254,31 12.092,32 0.937,33 2.708,34 4.656,36 0.161,37 4.432,38 4.432,40 6.495,41 6.495,42 1,43 17.008,44 3.114,45 16.815,46 3.461,48 24.755,49 0.162,50 15.923,51 4.205,52 12.603,53 5.086,54 22.919,55 1,56 21.087,57 26.596,59 1.331,61 1,62 0.903,64 2.781,65 15.26,66 28.44,67 21.109,68 4.388,69 1.972,70 23.451,71 4}
{0 CHEMBL411903,4 29.523,7 117.32,10 1,11 0.986,13 10.133,14 10.133,15 5.895,16 2,17 0.4,20 -0.166,22 40.091,23 2,25 2,27 1.193,28 2.135,29 168.239,30 1.126,31 12.675,32 0.897,33 2.708,34 23.892,36 1.043,37 4.483,38 4.483,40 7.119,41 7.119,42 1,43 18.398,44 3.73,45 18.7,46 3.797,48 25.995,49 0.372,50 17.24,51 4.745,52 13.267,53 5.267,54 24.089,55 1,56 22.191,57 27.907,59 1.762,62 1.317,64 3.318,65 155.607,66 29.825,67 22.489,68 5.056,69 5.335,70 24.921,71 5.1}
{0 CHEMBL412142,4 22.72,7 115.2,8 96.051,11 0.4,12 4,13 8.758,14 8.758,16 8,22 32.838,23 2,25 3,27 0.596,28 2.233,29 176.499,30 0.472,31 12.611,32 1.137,33 4.595,34 15.998,35 3,36 0.287,37 4.554,38 4.554,40 6.791,41 6.791,42 1,43 17.619,44 4.016,45 18.574,46 3.853,47 1,48 25.269,49 0.808,50 16.502,51 4.7,52 13.138,53 5.23,54 23.411,55 1,56 21.563,57 27.135,59 1.753,62 1.304,63 3,64 3.008,65 22.654,66 29.009,67 21.856,68 4.913,69 4.069,70 24.286,71 5.1}
{0 CHEMBL413779,4 28.198,7 138.62,11 0.86,12 1,13 9.185,14 9.185,16 4,17 0.86,18 3,20 -0.611,22 52.3,23 2,25 5,27 0.944,28 1.886,29 204.607,30 1.143,31 12.373,32 0.97,34 11.418,35 3,36 0.657,37 4.388,38 4.388,39 3,40 6.322,41 6.322,42 1,43 17.113,44 4.179,45 16.404,46 3.556,48 24.79,49 0.733,50 16.046,51 4.522,52 12.869,53 5.051,54 22.986,55 1,56 21.186,57 26.599,58 2,59 1.72,61 1,62 1.245,63 4,64 3.327,65 53.211,66 28.411,67 21.005,68 4.677,69 4.069,70 23.307,71 6.1}
{0 CHEMBL41783,4 15.19,7 86.8,8 60.508,11 0.149,12 1,13 10.046,14 10.046,16 6,20 -0.173,21 1,22 42.68,23 3,25 7,27 0.791,28 1.514,29 105.054,30 0.713,31 12.443,32 0.906,33 4.727,34 29.92,35 2,36 0.395,37 4.59,38 4.59,40 6.645,41 6.645,42 1,43 17.625,44 3.479,45 17.759,46 3.62,48 25.273,49 0.492,50 16.506,51 4.477,52 12.984,53 5.175,54 23.413,55 1,56 21.559,57 27.138,58 1,59 1.77,61 1,62 1.239,64 3.078,65 31.872,66 29.007,67 21.743,68 4.844,69 3.306,70 24.133,71 5.1}
{0 CHEMBL424872,3 2,4 19.76,7 143.55,9 1,10 3,11 1.081,12 3,13 10.156,14 10.156,15 5.786,16 5,17 0.86,18 1,20 -0.491,22 29.653,23 3,25 5,27 0.597,28 1.767,29 161.2,30 0.668,31 12.297,32 0.718,34 4.815,35 2,36 0.44,37 4.801,38 4.801,39 1,40 7.111,41 7.111,42 1,43 18.285,44 3.545,45 18.545,46 3.743,48 25.876,49 0.603,50 17.118,51 4.234,52 13.301,53 5.233,54 23.958,55 2,56 22.046,57 27.8,59 1.698,61 1,62 1.254,63 2,64 3.569,65 64.234,66 29.728,67 22.385,68 5.112,69 5.9,70 24.825,71 5.1}
{0 CHEMBL428496,4 26.109,7 109.11,8 80.54,11 1.674,12 3,13 14.59,14 14.59,16 12,17 1.148,20 -0.303,22 55.037,25 17,27 1.106,28 4.684,29 143.087,30 1.746,31 13.551,32 0.878,33 5.476,34 17.22,36 0.669,37 5.026,38 5.026,39 3,40 8.27,41 8.27,42 1,43 20.542,44 4.362,45 25.418,46 3.526,48 27.979,49 0.733,50 19.218,51 5.598,52 13.689,53 5.944,54 25.907,55 2,56 23.842,57 30.056,58 6,59 1.703,61 1,62 1.43,63 2,64 3.681,65 71.245,66 32.137,67 25.497,68 5.19,69 4.234,70 28.269,71 5.886}
{0 CHEMBL428690,4 20.975,7 94.14,12 1,13 10.125,14 10.125,16 7,18 1,20 -0.214,22 35.424,23 3,25 3,27 1.093,28 2.889,29 203.343,30 0.696,31 12.861,32 1.055,35 1,36 0.27,37 4.68,38 4.68,39 1,40 7.072,41 7.072,42 1,43 18.393,44 3.998,45 19.814,46 3.692,48 25.972,49 0.712,50 17.219,51 4.942,52 13.153,53 5.432,54 24.069,56 22.171,57 27.882,58 1,59 1.574,61 1,62 1.173,63 1,64 3.221,65 29.558,66 29.796,67 22.761,68 4.924,69 1.72,70 25.257,71 5}
{0 CHEMBL431336,4 17.231,5 1,7 125.19,8 56.566,9 1,12 2,13 7.815,14 7.815,15 5.717,16 4,19 1,22 43.306,24 1.4,25 1,27 0.213,28 1.62,29 125.937,30 0.283,31 12.137,32 0.806,33 4.727,34 3.257,35 1,36 0.18,37 4.442,38 4.442,40 6.5,41 6.5,42 1,43 16.999,44 3.28,45 16.969,46 3.68,48 24.594,49 0.218,50 15.915,51 4.06,52 12.692,53 5.102,54 22.77,55 1,56 20.955,57 26.425,58 1,59 1.472,61 1,62 0.985,63 1,64 2.606,65 14.916,66 28.263,67 20.958,68 4.559,69 0.8,70 23.307,71 4.602}
{0 CHEMBL437747,4 25.741,6 1,7 67.66,8 96.809,12 4,13 9.36,14 9.36,16 6,22 49.277,25 9,26 2.389,27 0.461,28 4.266,29 128.654,30 0.43,31 12.926,32 1.086,33 4.844,34 4.656,35 3,36 0.264,37 4.694,38 4.694,40 7.065,41 7.065,43 18.29,44 4.709,45 19.769,46 3.779,47 1,48 25.81,49 0.88,50 17.118,51 5.069,52 13.158,53 5.376,54 23.914,55 2,56 22.028,57 27.714,58 1,59 1.895,62 1.451,63 1,64 2.916,65 23.997,66 29.624,67 22.659,68 4.902,69 0.8,70 25.164,71 5.1}
{0 CHEMBL440084,1 1,4 9.425,5 1,7 103.12,8 145.328,11 0.532,12 7,13 9.258,14 9.258,15 5.335,16 7,18 2,19 2,20 -0.466,22 41.997,25 11,27 0.381,28 2.173,29 113.613,30 0.409,31 12.757,32 0.974,33 5.352,34 26.299,36 0.358,37 4.579,38 4.579,39 2,40 6.753,41 6.753,42 1,43 17.851,44 3.968,45 18.299,46 3.8,47 1,48 25.464,49 0.557,50 16.73,51 4.898,52 13.165,53 5.235,54 23.612,55 1,56 21.766,57 27.321,58 1,59 1.636,60 2,61 1,62 1.33,63 1,64 3.163,65 30.868,66 29.183,67 21.981,68 4.902,69 2.783,70 24.378,71 5}
{0 CHEMBL442957,4 16.494,7 99.17,8 56.566,12 2,13 7.815,14 7.815,16 5,22 43.735,24 1.622,25 1,27 0.174,28 1.821,29 93.04,30 0.219,31 12.137,32 0.762,33 4.727,34 3.257,36 0.139,37 4.442,38 4.442,40 6.5,41 6.5,42 1,43 16.999,44 3.335,45 16.969,46 3.681,48 24.594,49 0.237,50 15.915,51 4.06,52 12.692,53 5.103,54 22.77,55 1,56 20.955,57 26.425,58 1,59 1.538,61 1,62 0.987,63 1,64 2.612,65 14.199,66 28.263,67 20.958,68 4.559,69 0.8,70 23.307,71 5.301}
{0 CHEMBL443962,4 5.957,7 39.42,8 38.285,13 8.925,14 8.925,16 4,18 1,22 16.385,25 8,27 0.143,28 1.359,29 44.448,30 0.177,31 12.122,32 1.254,33 4.727,34 11.771,36 0.181,37 4.553,38 4.553,39 1,40 6.508,41 6.508,42 1,43 17.14,44 2.872,45 16.87,46 3.787,48 24.786,49 0.218,50 16.043,51 4.159,52 12.73,53 5.099,54 22.949,55 1,56 21.118,57 26.627,59 1.503,61 1,62 0.869,64 2.681,65 11.523,66 28.471,67 21.137,68 4.559,69 1.72,70 23.472,71 5.1}
{0 CHEMBL445162,4 26.892,7 110.82,8 61.573,11 0.532,12 4,13 10.781,14 10.781,16 3,17 0.4,18 2,22 31.929,23 2,25 6,27 0.721,28 2.339,29 139.032,30 0.655,31 12.578,32 1.003,33 4.595,34 27.769,35 2,36 0.606,37 4.805,38 4.805,39 2,40 7.116,41 7.116,42 1,43 18.411,44 3.648,45 18.846,46 3.824,48 25.97,49 0.578,50 17.243,51 4.554,52 13.369,53 5.269,54 24.051,55 3,56 22.139,57 27.895,58 1,59 1.673,61 1,62 1.156,64 2.953,65 54.498,66 29.824,67 22.544,68 5.198,69 5.9,70 24.994,71 4.523}
{0 CHEMBL445277,1 1,2 1,3 3,4 18.295,5 1,6 1,7 98.38,8 125.146,9 1,10 1,12 7,13 9.866,14 9.866,15 5.532,16 6,18 1,19 1,20 -0.522,21 1,22 59.081,23 1,24 1.276,25 8,26 1.915,27 0.452,28 2.421,29 124.976,30 0.275,31 12.57,32 1.074,33 5.416,34 3.503,35 1,36 0.232,37 4.625,38 4.625,39 1,40 6.741,41 6.741,42 1,43 17.783,44 3.748,45 18.28,46 3.976,47 1,48 25.364,49 0.55,50 16.654,51 4.595,52 13.097,53 5.295,54 23.499,55 1,56 21.64,57 27.234,58 1,59 1.696,60 1,61 1,62 1.106,63 2,64 3.05,65 23.836,66 29.109,67 21.928,68 4.902,69 2.302,70 24.335,71 7.658}
{0 CHEMBL445813,4 24.567,7 98.91,8 74.159,11 0.4,12 1,13 9.962,14 9.962,16 1,20 -0.846,22 34.39,23 2,27 0.864,28 1.808,29 145.25,30 0.525,31 12.307,32 0.941,33 4.595,34 11.771,35 1,36 0.331,37 4.466,38 4.466,40 6.686,41 6.686,42 1,43 17.494,44 3.659,45 17.556,46 3.692,48 25.267,49 0.567,50 16.387,51 4.159,52 12.798,53 5.122,54 23.399,56 21.538,57 27.138,58 1,59 1.7,61 1,62 1.254,64 3.041,65 29.161,66 29.013,67 21.714,68 4.59,69 2.117,70 24.099,71 5}
{0 CHEMBL449608,1 1,2 1,3 4,4 19.119,5 1,6 1,7 98.38,8 125.146,9 1,10 1,12 7,13 9.866,14 9.866,15 5.554,16 6,18 1,19 1,20 -0.495,21 1,22 58.766,23 1,24 1.302,25 8,26 1.936,27 0.393,28 2.402,29 85.828,30 0.197,31 12.57,32 1.092,33 5.416,34 3.503,35 1,36 0.187,37 4.625,38 4.625,39 1,40 6.741,41 6.741,42 1,43 17.783,44 3.764,45 18.28,46 3.858,47 1,48 25.364,49 0.632,50 16.654,51 4.595,52 13.097,53 5.295,54 23.499,55 1,56 21.64,57 27.234,58 1,59 1.697,60 1,61 1,62 1.237,63 2,64 2.983,65 24.27,66 29.109,67 21.928,68 4.902,69 2.302,70 24.335,71 7.921}
{0 CHEMBL450653,4 13.071,7 123.31,8 38.63,11 2.035,13 11.131,14 11.131,16 3,22 41.04,24 0.479,25 8,27 1.174,28 1.597,29 152.06,30 0.148,31 12.45,32 0.823,33 4.844,34 0.746,36 0.903,37 4.799,38 4.799,40 7.149,41 7.149,42 1,43 18.637,44 1.22,45 19.432,46 3.578,48 26.109,50 17.44,51 4.419,52 13.239,53 5.421,54 24.177,55 1,56 22.249,57 28.045,58 3,59 1.352,61 1,62 0.671,63 2,64 3.806,65 203.695,66 29.984,67 22.773,68 5.056,69 5.86,70 25.252,71 4.678}
{0 CHEMBL450786,4 34.756,7 114.72,8 471.68,11 1.058,12 7,13 11.598,14 11.598,16 7,17 0.8,20 -0.011,22 61.62,23 2,25 11,27 0.8,28 5.727,29 172.9,30 1.002,31 13.259,32 0.708,33 6.075,34 5.513,35 1,36 0.432,37 4.876,38 4.876,40 7.324,41 7.324,43 19.158,44 4.69,45 20.199,46 4.038,48 26.691,49 1.102,50 17.969,51 5.193,52 13.807,53 5.444,54 24.761,55 2,56 22.837,57 28.627,59 1.84,62 1.704,64 3.655,65 60.785,66 30.568,67 23.443,68 5.568,69 6.545,70 25.943,71 5}
{0 CHEMBL451401,1 1,4 2.824,7 71.77,8 19.508,10 1,13 7.045,14 7.045,15 5.146,16 3,19 2,20 -0.451,22 12.607,23 1,25 3,27 0.196,28 0.66,29 74.705,30 0.038,31 11.655,33 4.595,34 11.771,35 1,36 0.116,37 4.556,38 4.556,40 6.644,41 6.644,43 17.005,44 0.626,45 17.603,46 3.168,48 24.72,50 15.883,51 3.367,52 12.388,53 5.095,54 22.846,56 20.977,57 26.597,59 1.113,60 1,61 1,62 0.154,63 1,64 1.819,65 17.885,66 28.477,67 21.25,68 4.205,69 1.96,70 23.648,71 4.1}
{0 CHEMBL451964,4 13.942,7 55.11,8 49.869,13 10.94,14 10.94,16 5,22 17.811,25 10,27 0.715,28 1.461,29 94.869,30 0.543,31 12.54,32 0.752,33 5.82,34 2.328,35 2,36 0.826,37 4.616,38 4.616,40 7.111,41 7.111,42 1,43 18.433,44 3.258,45 18.826,46 3.733,48 25.979,49 0.406,50 17.262,51 4.522,52 13.097,53 5.257,54 24.057,55 2,56 22.142,57 27.906,59 1.498,61 1,62 1.062,64 2.872,65 133.551,66 29.837,67 22.574,68 4.879,69 5.335,70 25.023,71 5.1}
{0 CHEMBL452932,4 10.674,7 50.95,8 52.379,12 4,13 8.693,14 8.693,16 4,22 18.865,25 6,27 0.177,28 1.808,29 46.116,30 0.15,31 12.407,32 0.926,33 4.727,34 7.164,35 2,36 0.071,37 4.61,38 4.61,40 6.718,41 6.718,42 1,43 17.496,44 3.59,45 18.073,46 3.749,48 25.13,49 0.308,50 16.378,51 4.454,52 12.892,53 5.206,54 23.272,56 21.42,57 26.994,59 1.634,61 1,62 1.062,63 1,64 2.569,65 12.782,66 28.863,67 21.675,68 4.62,69 1.315,70 24.08,71 5.792}
{0 CHEMBL454196,1 1,2 1,3 4,4 19.119,5 1,6 1,7 98.38,8 126.528,9 1,10 1,12 5,13 9.866,14 9.866,15 5.549,16 6,18 1,19 1,20 -0.496,21 1,22 58.766,23 1,24 1.301,25 8,26 1.936,27 0.39,28 2.478,29 85.828,30 0.281,31 12.566,32 1.087,33 5.416,34 3.503,35 1,36 0.187,37 4.625,38 4.625,39 1,40 6.741,41 6.741,42 1,43 17.776,44 3.755,45 18.28,46 3.857,47 1,48 25.359,49 0.635,50 16.647,51 4.595,52 13.096,53 5.295,54 23.494,55 1,56 21.635,57 27.229,58 1,59 1.697,60 1,61 1,62 1.184,63 2,64 2.97,65 24.241,66 29.104,67 21.924,68 4.902,69 2.302,70 24.331,71 7.155}
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{0 CHEMBL456294,4 14.444,7 57.53,8 67.507,12 1,13 9.669,14 9.669,16 2,20 0.385,22 31.781,25 3,27 0.41,28 4.784,29 110.512,30 0.368,31 12.859,32 1.005,33 4.949,36 0.161,37 4.704,38 4.704,40 7.975,41 7.975,43 19.652,44 4.484,45 23.775,46 3.633,48 27.106,49 1.037,50 18.357,51 4.7,52 13.047,53 5.696,54 25.061,56 23.025,57 29.158,59 1.851,62 1.491,64 3.066,65 20.602,66 31.215,67 24.483,68 4.732,69 3.677,70 27.204,71 4}
{0 CHEMBL456936,4 12.287,7 37.3,8 65.313,12 1,13 9.466,14 9.466,16 2,20 0.499,22 34.315,25 3,27 0.338,28 4.717,29 67.828,30 0.281,31 12.753,32 1.008,33 4.844,36 0.148,37 4.665,38 4.665,40 7.92,41 7.92,43 19.493,44 4.46,45 23.406,46 3.633,48 27.009,49 1.051,50 18.21,51 4.615,52 12.991,53 5.659,54 24.97,56 22.939,57 29.055,59 1.849,62 1.491,64 3.066,65 17.552,66 31.107,67 24.313,68 4.677,69 3.677,70 27.016,71 4}
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{0 CHEMBL460702,4 32.971,7 108.47,10 1,11 0.86,12 2,13 9.588,14 9.588,15 5.628,16 12,17 0.86,18 1,19 1,20 -1.777,22 62.502,23 4,25 6,27 1.281,28 2.249,29 191.041,30 1.404,31 12.807,32 1.002,34 44.019,35 1,36 0.567,37 4.556,38 4.556,39 2,40 6.883,41 6.883,43 18.032,44 4.016,45 18.869,46 3.848,48 25.732,49 0.854,50 16.908,51 4.828,52 13.309,53 5.283,54 23.864,55 1,56 22.003,57 27.606,59 1.858,60 1,62 1.313,63 6,64 3.408,65 44.517,66 29.485,67 22.242,68 5.094,69 2.293,70 24.671,71 5.699}
{0 CHEMBL462120,4 10.664,7 58.88,13 8.154,14 8.154,15 5.944,19 3,20 0.65,22 23.275,25 1,27 0.176,28 1.736,29 97.191,30 0.31,31 12.336,32 0.609,36 0.081,37 4.636,38 4.636,40 6.951,41 6.951,42 1,43 17.828,44 3.075,45 19.225,46 3.599,48 25.397,49 0.218,50 16.659,51 4.357,52 12.793,53 5.303,54 23.496,56 21.602,57 27.304,59 1.265,60 2,61 1,62 0.939,64 2.815,65 10.356,66 29.217,67 22.176,68 4.511,69 2.117,70 24.668,71 5.1}
{0 CHEMBL464351,4 10.965,7 60.69,8 67.507,13 9.669,14 9.669,22 26.647,27 0.425,28 5.015,29 128.05,30 0.396,31 12.859,32 0.995,33 4.949,36 0.179,37 4.698,38 4.698,40 7.975,41 7.975,43 19.652,44 4.532,45 23.775,46 3.627,48 27.106,49 1.04,50 18.357,51 4.7,52 13.006,53 5.695,54 25.061,56 23.025,57 29.158,59 1.852,62 1.51,64 2.89,65 21.895,66 31.215,67 24.483,68 4.677,70 27.204,71 4}
{0 CHEMBL464552,4 39.545,7 127.51,8 181.801,11 0.86,12 3,13 10.873,14 10.873,16 7,17 0.835,18 1,20 -0.558,22 53.676,23 4,25 5,27 1.037,28 2.958,29 109.821,30 0.818,31 13.065,32 0.855,33 5.352,34 30.958,36 0.598,37 4.574,38 4.574,39 1,40 6.729,41 6.729,43 18.33,44 4.439,45 18.074,46 3.892,48 25.949,49 0.912,50 17.197,51 5.142,52 13.468,53 5.247,54 24.078,55 2,56 22.213,57 27.825,58 3,59 1.881,62 1.675,64 3.253,65 38.466,66 29.704,67 22.52,68 5.293,69 3.465,70 24.929,71 7.328}
{0 CHEMBL466154,4 16.656,7 90.9,13 9.669,14 9.669,16 6,18 1,20 -0.397,22 25.177,23 4,25 2,27 0.843,28 1.402,29 164.195,30 0.377,31 12.515,32 0.809,36 0.228,37 4.665,38 4.665,39 1,40 7.001,41 7.001,42 1,43 18.113,44 2.762,45 19.458,46 3.212,48 25.623,49 0.101,50 16.934,51 4.585,52 12.936,53 5.405,54 23.717,56 21.818,57 27.534,59 1.359,61 1,62 0.859,63 1,64 2.979,65 29.347,66 29.451,67 22.389,68 4.796,69 1.72,70 24.882,71 4.121}
{0 CHEMBL468280,4 16.893,7 68.26,8 30.046,13 9.496,14 9.496,16 8,20 -0.538,21 1,22 32.542,23 2,25 2,27 0.753,28 1.625,29 151.268,30 0.865,31 12.619,32 1.331,33 4.727,34 17.288,36 0.46,37 4.701,38 4.701,40 7.108,41 7.108,42 1,43 18.392,44 2.311,45 20.302,46 3.37,48 25.843,49 0.102,50 17.191,51 4.625,52 12.964,53 5.413,54 23.929,55 1,56 22.021,57 27.762,59 1.446,61 1,62 0.823,63 3,64 3.075,65 44.608,66 29.687,67 22.689,68 4.732,69 1.2,70 25.213,71 5.1}
{0 CHEMBL471789,2 1,4 26.416,6 1,7 90.82,8 164.564,11 1.151,12 5,13 11.138,14 11.138,16 9,17 0.86,18 3,20 -0.256,21 1,22 69.681,24 1.163,25 8,26 1.755,27 0.951,28 2.84,29 119.81,30 0.754,31 12.911,32 1.22,33 5.416,34 3.503,36 1.16,37 4.662,38 4.662,39 3,40 7.247,41 7.247,43 18.807,44 4.084,45 19.718,46 3.905,47 1,48 26.344,49 0.614,50 17.625,51 4.905,52 13.457,53 5.42,54 24.419,55 1,56 22.501,57 28.275,58 1,59 1.721,62 1.488,63 4,64 3.324,65 153.043,66 30.211,67 23.025,68 5.223,69 5.335,70 25.504,71 7.071}
{0 CHEMBL471816,4 23.691,7 82.8,8 70.416,11 0.86,12 2,13 10.263,14 10.263,16 5,17 0.4,18 3,22 39.922,23 2,25 8,27 0.655,28 2.117,29 98.194,30 0.727,31 12.772,32 0.871,33 4.844,34 19.003,35 2,36 0.518,37 4.69,38 4.69,39 3,40 6.844,41 6.844,42 1,43 18.079,44 3.884,45 18.688,46 3.784,47 1,48 25.62,49 0.584,50 16.934,51 4.82,52 13.259,53 5.27,54 23.747,55 2,56 21.882,57 27.498,58 4,59 1.642,61 1,62 1.479,63 2,64 2.908,65 32.796,66 29.382,67 22.258,68 5.094,69 1.72,70 24.691,71 7.097}
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{0 CHEMBL473629,1 1,2 1,3 3,4 23.926,5 1,6 1,7 116.84,8 151.604,9 1,10 1,11 0.86,12 5,13 9.964,14 9.964,15 5.59,16 8,17 0.86,18 3,19 1,20 -0.523,21 1,22 68.601,23 1,24 1.261,25 7,26 1.873,27 0.507,28 2.693,29 107.827,30 0.494,31 12.725,32 1.157,33 5.416,34 3.503,35 1,36 0.393,37 4.662,38 4.662,39 3,40 6.767,41 6.767,42 1,43 17.971,44 3.952,45 18.418,46 3.837,47 1,48 25.525,49 0.643,50 16.834,51 4.796,52 13.203,53 5.333,54 23.662,55 1,56 21.804,57 27.393,58 1,59 1.707,60 1,61 1,62 1.506,63 4,64 3.068,65 36,66 29.265,67 22.086,68 4.997,69 1.96,70 24.494,71 6.886}
{0 CHEMBL473630,1 1,2 1,3 3,4 21.773,5 1,6 1,7 116.84,8 218.952,9 1,10 1,11 0.86,12 2,13 9.966,14 9.966,15 5.591,16 8,17 0.86,18 3,19 1,20 -0.485,21 1,22 73.019,23 1,24 1.297,25 8,26 1.9,27 0.646,28 2.655,29 107.827,30 0.448,31 12.719,32 1.158,33 5.733,34 3.503,35 1,36 0.391,37 4.662,38 4.662,39 3,40 6.767,41 6.767,42 1,43 17.975,44 3.999,45 18.418,46 3.739,47 1,48 25.526,49 0.668,50 16.837,51 4.787,52 13.135,53 5.336,54 23.663,55 1,56 21.805,57 27.394,58 1,59 1.724,60 1,61 1,62 1.506,63 4,64 3.07,65 36.101,66 29.266,67 22.087,68 4.945,69 1.96,70 24.495,71 7.469}
{0 CHEMBL474028,1 1,2 1,3 4,4 24.215,5 1,6 1,7 116.84,8 148.194,9 1,10 1,11 0.86,12 3,13 9.967,14 9.967,15 5.597,16 8,17 0.86,18 3,19 1,20 -0.544,21 1,22 69.122,23 1,24 1.243,25 7,26 1.861,27 0.65,28 2.805,29 107.827,30 0.497,31 12.774,32 1.191,33 5.416,34 3.503,35 1,36 0.452,37 4.662,38 4.662,39 3,40 6.767,41 6.767,43 18.032,44 4.045,45 18.418,46 3.998,47 1,48 25.611,49 0.575,50 16.899,51 4.836,52 13.271,53 5.335,54 23.751,55 1,56 21.896,57 27.476,58 1,59 1.702,60 1,62 1.463,63 4,64 3.208,65 35.971,66 29.344,67 22.136,68 5.085,69 2.302,70 24.537,71 8.699}
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{0 CHEMBL474437,1 1,2 1,3 4,4 21.007,5 1,6 1,7 107.61,8 134.37,9 1,10 1,11 0.86,12 4,13 9.866,14 9.866,15 5.551,16 8,18 2,19 1,20 -0.514,21 1,22 60.823,23 1,24 1.285,25 10,26 1.923,27 0.455,28 2.419,29 96.827,30 0.254,31 12.589,32 0.981,33 5.416,34 3.503,35 1,36 0.295,37 4.625,38 4.625,39 2,40 6.741,41 6.741,42 1,43 17.785,44 3.765,45 18.28,46 3.853,47 1,48 25.371,49 0.597,50 16.656,51 4.635,52 13.108,53 5.295,54 23.508,55 1,56 21.651,57 27.24,58 2,59 1.697,60 1,61 1,62 1.23,63 2,64 2.988,65 29.259,66 29.113,67 21.93,68 4.902,69 2.302,70 24.335,71 7.456}
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{0 CHEMBL474843,1 1,2 1,3 3,4 23.894,5 1,6 1,7 107.61,8 152.291,9 1,10 1,11 0.98,12 5,13 11.071,14 11.071,15 5.474,16 8,17 0.86,18 2,19 1,20 -0.739,21 1,22 64.009,23 1,24 1.059,25 8,26 1.728,27 0.932,28 2.598,29 141.708,30 0.656,31 12.822,32 1.306,33 5.416,34 3.503,35 1,36 1.066,37 4.639,38 4.639,39 2,40 7.247,41 7.247,43 18.746,44 3.939,45 19.718,46 3.905,47 1,48 26.284,49 0.572,50 17.563,51 4.804,52 13.387,53 5.42,54 24.355,55 1,56 22.431,57 28.22,58 1,59 1.698,60 1,61 1,62 1.439,63 3,64 3.245,65 155.309,66 30.16,67 22.977,68 5.147,69 5.335,70 25.461,71 8.699}
{0 CHEMBL475215,1 1,2 1,3 3,4 25.808,5 1,6 1,7 159.36,8 164.564,9 1,10 1,11 0.98,12 3,13 11.138,14 11.138,15 5.58,16 8,17 0.86,18 3,19 1,20 -0.652,21 1,22 67.618,23 1,24 1.142,25 11,26 1.783,27 0.736,28 3.262,29 152.14,30 0.589,31 12.911,32 1.278,33 5.416,34 3.503,35 1,36 0.645,37 4.842,38 4.842,39 3,40 7.247,41 7.247,43 18.807,44 4.13,45 19.718,46 3.998,47 1,48 26.344,49 0.68,50 17.625,51 4.905,52 13.642,53 5.419,54 24.419,55 2,56 22.501,57 28.275,58 1,59 1.705,60 1,62 1.507,63 4,64 3.322,65 73.78,66 30.211,67 23.025,68 5.453,69 5.9,70 25.504,71 7.509}
{0 CHEMBL475251,4 39.73,7 128.75,11 0.86,12 2,13 10.264,14 10.264,16 6,17 0.86,18 4,20 -0.338,22 46.439,23 3,25 6,27 1.098,28 2.171,29 134.461,30 0.918,31 12.828,32 1.059,34 23.843,35 2,36 0.752,37 4.54,38 4.54,39 4,40 7.282,41 7.282,42 1,43 18.709,44 3.875,45 19.836,46 3.784,48 26.225,49 0.584,50 17.523,51 4.828,52 13.337,53 5.479,54 24.299,55 1,56 22.383,57 28.158,58 5,59 1.753,62 1.479,63 3,64 3.208,65 50.92,66 30.098,67 22.885,68 5.147,69 3.634,70 25.374,71 5.1}
{0 CHEMBL475597,1 1,2 1,3 4,4 19.521,5 1,6 1,7 107.61,8 129.435,9 1,10 1,11 0.86,12 4,13 9.869,14 9.869,15 5.561,16 8,18 2,19 1,20 -0.523,21 1,22 60.823,23 1,24 1.277,25 9,26 1.919,27 0.566,28 2.423,29 96.827,30 0.299,31 12.614,32 1.123,33 5.416,34 3.503,35 1,36 0.295,37 4.625,38 4.625,39 2,40 6.741,41 6.741,42 1,43 17.855,44 3.798,45 18.28,46 3.856,47 1,48 25.479,49 0.575,50 16.729,51 4.625,52 13.134,53 5.296,54 23.615,55 1,56 21.755,57 27.347,58 1,59 1.696,60 1,61 1,62 1.253,63 3,64 3.163,65 29.22,66 29.219,67 22.015,68 4.902,69 2.302,70 24.411,71 7.921}
{0 CHEMBL475616,1 1,2 1,3 2,4 30.442,5 1,6 1,7 120.08,8 162.475,9 1,10 1,11 0.86,12 4,13 9.966,14 9.966,15 5.634,16 10,17 0.86,18 3,19 1,20 -0.54,21 1,22 68.824,23 1,24 1.25,25 10,26 1.869,27 0.599,28 2.845,29 107.827,30 0.611,31 12.817,32 1.182,33 5.416,34 3.503,35 1,36 0.466,37 4.662,38 4.662,39 3,40 6.767,41 6.767,42 1,43 18.045,44 4.057,45 18.418,46 3.873,47 1,48 25.618,49 0.67,50 16.914,51 4.883,52 13.296,53 5.335,54 23.761,55 1,56 21.91,57 27.479,58 1,59 1.708,60 1,61 1,62 1.506,63 4,64 3.089,65 37.477,66 29.345,67 22.136,68 5.121,69 2.302,70 24.536,71 7.509}
{0 CHEMBL475762,1 1,2 1,3 1,4 23.926,5 1,6 1,7 129.73,8 143.05,9 1,10 1,11 0.86,12 2,13 9.966,14 9.966,15 5.566,16 10,17 0.86,18 3,19 1,20 -0.547,21 1,22 66.067,23 1,24 1.238,25 9,26 1.855,27 0.594,28 2.501,29 124.613,30 0.49,31 12.724,32 1.188,33 5.416,34 3.503,35 1,36 0.471,37 4.662,38 4.662,39 3,40 6.767,41 6.767,42 1,43 17.973,44 3.923,45 18.418,46 3.808,47 1,48 25.525,49 0.575,50 16.835,51 4.804,52 13.201,53 5.334,54 23.662,55 1,56 21.804,57 27.394,58 1,59 1.701,60 1,61 1,62 1.449,63 4,64 3.076,65 37.9,66 29.266,67 22.087,68 4.997,69 2.302,70 24.495,71 6.886}
{0 CHEMBL475763,1 1,2 1,3 1,4 25.57,5 1,6 1,7 129.73,8 149.361,9 1,10 1,11 0.86,12 4,13 9.966,14 9.966,15 5.583,16 11,17 0.86,18 3,19 1,20 -0.555,21 1,22 68.693,23 1,24 1.232,25 9,26 1.851,27 0.641,28 2.716,29 124.613,30 0.544,31 12.762,32 1.143,33 5.416,34 6.129,35 1,36 0.522,37 4.662,38 4.662,39 3,40 6.767,41 6.767,43 17.992,44 3.975,45 18.418,46 3.998,47 1,48 25.542,49 0.575,50 16.857,51 4.836,52 13.251,53 5.335,54 23.681,55 1,56 21.827,57 27.407,58 1,59 1.7,60 1,62 1.441,63 4,64 3.085,65 38.808,66 29.277,67 22.095,68 5.085,69 2.302,70 24.502,71 7.854}
{0 CHEMBL475783,1 1,2 1,3 3,4 27.088,5 1,6 1,7 142.86,8 149.361,9 2,10 1,11 0.86,12 4,13 9.966,14 9.966,15 11.395,16 8,17 0.86,18 3,19 2,20 -0.558,21 1,22 68.824,23 1,24 1.229,25 8,26 1.849,27 0.614,28 2.611,29 140.724,30 0.455,31 12.762,32 1.187,33 5.416,34 3.503,35 2,36 0.432,37 4.662,38 4.662,39 3,40 6.767,41 6.767,42 1,43 17.992,44 3.969,45 18.418,46 3.852,47 1,48 25.542,49 0.575,50 16.857,51 4.836,52 13.251,53 5.334,54 23.681,55 1,56 21.827,57 27.407,58 1,59 1.702,60 3,61 1,62 1.485,63 4,64 3.078,65 37.113,66 29.277,67 22.095,68 5.085,69 2.302,70 24.502,71 7.678}
{0 CHEMBL475817,3 1,4 24.192,5 1,7 97.11,11 1.058,12 3,13 9.824,14 9.824,15 5.523,16 2,20 -1.405,22 33.809,25 5,27 1.309,28 1.893,29 223.15,30 0.925,31 12.544,32 1.011,34 2.328,35 1,36 0.983,37 4.471,38 4.471,40 7.118,41 7.118,42 1,43 18.349,44 3.804,45 18.726,46 3.907,48 25.942,49 0.287,50 17.191,51 4.454,52 13.222,53 5.232,54 24.036,56 22.138,57 27.855,59 1.561,60 2,62 1.214,64 3.565,65 155.096,66 29.774,67 22.405,68 5.056,69 5.335,70 24.842,71 4.523}
{0 CHEMBL475857,1 1,2 1,3 3,4 23.926,5 1,6 1,7 116.84,8 143.05,9 1,10 1,11 0.86,12 4,13 9.966,14 9.966,15 5.576,16 8,17 0.86,18 3,19 1,20 -0.534,21 1,22 66.067,23 1,24 1.25,25 8,26 1.865,27 0.568,28 2.574,29 107.827,30 0.436,31 12.724,32 1.128,33 5.416,34 3.503,35 1,36 0.41,37 4.662,38 4.662,39 3,40 6.767,41 6.767,42 1,43 17.973,44 3.945,45 18.418,46 3.827,47 1,48 25.525,49 0.575,50 16.835,51 4.804,52 13.201,53 5.334,54 23.662,55 1,56 21.804,57 27.394,58 1,59 1.702,60 1,61 1,62 1.463,63 4,64 3.076,65 35.26,66 29.266,67 22.087,68 4.997,69 2.302,70 24.495,71 7.921}
{0 CHEMBL475881,4 34.135,7 163.29,8 243.801,11 2.035,12 6,13 10.818,14 10.818,16 8,17 1.181,20 -2.454,22 75.485,23 5,25 2,27 1.077,28 3.042,29 151.374,30 1.404,31 12.873,32 1.094,33 5.476,34 25.686,36 1.159,37 4.599,38 4.599,40 6.862,41 6.862,43 18.481,44 4.251,45 18.877,46 3.662,48 25.985,49 0.872,50 17.336,51 4.82,52 13.44,53 5.317,54 24.108,55 1,56 22.237,57 27.866,58 2,59 1.802,62 1.588,63 3,64 4.085,65 165.784,66 29.751,67 22.597,68 5.173,69 6.301,70 25.017,71 7.387}
{0 CHEMBL47590,4 20.393,7 111.2,8 60.166,12 2,13 7.842,14 7.842,16 4,22 43.306,24 1.556,25 1,27 0.232,28 1.82,29 93.04,30 0.342,31 12.184,32 0.983,33 4.727,34 3.257,35 1,36 0.208,37 4.448,38 4.448,40 6.507,41 6.507,42 1,43 17.041,44 3.44,45 17.01,46 3.682,48 24.627,49 0.309,50 15.954,51 4.159,52 12.711,53 5.116,54 22.804,55 1,56 20.991,57 26.457,58 1,59 1.602,61 1,62 1.062,63 1,64 2.617,65 16.655,66 28.294,67 21,68 4.559,69 0.8,70 23.349,71 5}
{0 CHEMBL475946,4 35.584,7 147.5,8 237.513,11 1.181,12 5,13 8.866,14 8.866,16 9,17 1.058,20 -0.339,22 78.372,23 5,25 3,27 0.731,28 2.984,29 106.494,30 0.64,31 12.591,32 1.074,33 5.352,34 11.771,35 1,36 0.359,37 4.554,38 4.554,40 6.862,41 6.862,43 17.878,44 4.183,45 18.872,46 3.729,48 25.494,49 0.991,50 16.741,51 4.5,52 13.06,53 5.312,54 23.625,55 1,56 21.764,57 27.369,58 3,59 1.796,62 1.603,63 3,64 3.559,65 31.959,66 29.25,67 22.063,68 4.718,69 6.301,70 24.498,71 6.462}
{0 CHEMBL475947,4 23.654,7 117.19,8 85.422,11 0.4,12 4,13 10.294,14 10.294,16 6,22 20.974,23 4,25 2,27 0.989,28 1.633,29 145.103,30 0.661,31 12.498,32 0.761,33 4.443,34 4.227,35 3,36 0.947,37 4.449,38 4.449,40 7.111,41 7.111,42 1,43 18.268,44 3.716,45 18.561,46 3.804,48 25.857,49 0.285,50 17.104,51 4.564,52 13.076,53 5.245,54 23.938,55 3,56 22.027,57 27.781,58 2,59 1.624,61 1,62 1.266,63 4,64 2.797,65 136.301,66 29.711,67 22.398,68 4.783,69 5.335,70 24.84,71 6.31}
{0 CHEMBL476123,4 27.606,7 83.3,8 71.39,11 0.8,12 3,13 9.256,14 9.256,16 8,17 0.657,18 2,22 41.656,23 1,25 7,27 0.477,28 2.071,29 86.63,30 0.35,31 12.465,32 0.621,33 5.778,34 27.769,35 1,36 0.397,37 4.386,38 4.386,39 2,40 6.528,41 6.528,42 1,43 17.314,44 3.905,45 17.099,46 3.735,48 24.98,49 0.786,50 16.236,51 4.466,52 12.842,53 5.082,54 23.155,55 3,56 21.336,57 26.811,59 1.597,61 1,62 1.376,63 4,64 3.2,65 26.152,66 28.646,67 21.362,68 4.605,69 4.069,70 23.701,71 5.796}
{0 CHEMBL476124,1 1,4 13.647,5 2,7 142.61,8 41.119,10 1,11 0.98,13 11.246,14 11.246,15 4.887,16 3,20 -1.177,22 45.744,23 1,24 0.373,25 8,27 1.256,28 1.712,29 179.043,30 0.464,31 12.522,32 0.639,33 4.844,34 0.746,36 0.997,37 4.809,38 4.809,40 7.151,41 7.151,42 1,43 18.699,44 1.904,45 19.543,46 3.578,48 26.175,50 17.502,51 4.5,52 13.26,53 5.435,54 24.243,55 1,56 22.316,57 28.11,58 3,59 1.487,60 1,61 1,62 0.693,63 2,64 3.642,65 213.404,66 30.048,67 22.839,68 5.13,69 5.825,70 25.32,71 5.62}
{0 CHEMBL476125,4 14.806,5 1,7 84.06,9 1,13 7.686,14 7.686,15 5.789,16 3,19 1,22 13.355,25 2,27 0.177,28 1.296,29 109.152,30 0.222,31 11.999,32 0.741,34 1.899,35 1,36 0.101,37 4.301,38 4.301,40 6.192,41 6.192,42 1,43 16.384,44 3.287,45 15.598,46 3.639,48 24.087,49 0.218,50 15.364,51 4.043,52 12.552,53 4.97,54 22.316,55 1,56 20.551,57 25.866,59 1.323,60 2,61 1,62 1.037,64 2.568,65 12.052,66 27.649,67 20.223,68 4.407,69 0.8,70 22.489,71 5.108}
{0 CHEMBL476136,4 32.047,7 118.4,8 239.606,11 2.035,12 6,13 9.963,14 9.963,16 8,17 1.181,20 -1.901,22 71.561,23 4,25 2,27 0.871,28 2.91,29 126.23,30 1.111,31 12.592,32 1.041,33 5.352,34 11.771,36 1.013,37 4.555,38 4.555,40 6.862,41 6.862,43 18.167,44 4.075,45 18.877,46 3.698,48 25.638,49 0.872,50 17.027,51 4.511,52 13.126,53 5.314,54 23.769,55 1,56 21.906,57 27.513,58 2,59 1.785,62 1.566,63 3,64 4.085,65 154.954,66 29.394,67 22.237,68 4.82,69 6.301,70 24.654,71 7}
{0 CHEMBL476137,4 19.924,7 112.36,8 78.134,11 1.674,12 3,13 8.872,14 8.872,16 7,17 1.181,20 -0.908,22 68.55,23 2,25 1,27 0.702,28 1.968,29 107.309,30 0.825,31 12.347,32 1.01,33 4.844,34 26.731,36 0.417,37 4.554,38 4.554,39 1,40 6.862,41 6.862,42 1,43 17.821,44 3.618,45 18.872,46 3.558,48 25.435,49 0.584,50 16.674,51 4.205,52 12.907,53 5.31,54 23.556,55 2,56 21.682,57 27.319,58 3,59 1.618,61 1,62 1.1,63 5,64 3.588,65 38.113,66 29.208,67 22.031,68 4.543,69 6.301,70 24.473,71 6.796}
{0 CHEMBL476138,4 23.745,7 106.37,8 162.361,11 1.2,12 6,13 9.538,14 9.538,16 8,17 1.181,20 0.467,22 61.63,23 2,25 1,27 0.565,28 2.353,29 81.349,30 0.491,31 12.457,32 1.086,33 5.352,34 11.771,36 0.231,37 4.57,38 4.57,40 6.892,41 6.892,42 1,43 17.91,44 3.858,45 19.122,46 3.731,48 25.505,49 0.707,50 16.756,51 4.344,52 12.894,53 5.336,54 23.619,55 2,56 21.74,57 27.397,58 3,59 1.751,61 1,62 1.225,63 5,64 3.622,65 17.742,66 29.293,67 22.139,68 4.46,69 6.301,70 24.594,71 6.569}
{0 CHEMBL476145,4 25.262,7 117.19,8 85.422,12 7,13 10.294,14 10.294,16 6,22 20.974,23 4,25 2,27 0.523,28 1.789,29 100.223,30 0.281,31 12.498,32 0.987,33 4.443,34 4.227,35 3,36 0.285,37 4.449,38 4.449,40 7.111,41 7.111,42 1,43 18.268,44 3.83,45 18.561,46 3.805,48 25.857,49 0.607,50 17.104,51 4.564,52 13.076,53 5.387,54 23.938,55 3,56 22.027,57 27.781,58 2,59 1.741,61 1,62 1.277,63 4,64 2.797,65 27.087,66 29.711,67 22.398,68 4.783,69 1.315,70 24.84,71 6.018}
{0 CHEMBL476146,4 27.194,7 151,8 174.998,11 0.4,12 1,13 9.222,14 9.222,16 6,17 0.4,18 2,22 69.445,23 4,24 1.733,25 4,27 0.552,28 2.16,29 105.437,30 0.46,31 12.537,32 1.009,33 5.13,34 17.357,35 4,36 0.434,37 4.425,38 4.425,39 2,40 6.525,41 6.525,42 1,43 17.26,44 3.823,45 17.171,46 3.851,48 24.961,49 0.667,50 16.185,51 4.654,52 12.947,53 5.165,54 23.137,55 3,56 21.32,57 26.792,58 1,59 1.642,61 1,62 1.361,63 4,64 2.753,65 26.681,66 28.627,67 21.339,68 4.691,69 1.72,70 23.682,71 5.983}
{0 CHEMBL476575,4 22.396,7 129.43,8 88.38,11 1.674,12 7,13 8.86,14 8.86,16 9,17 1.277,20 -0.655,22 67.748,23 2,25 3,27 0.624,28 2.128,29 117.494,30 0.663,31 12.405,32 0.997,33 4.844,34 11.771,36 0.375,37 4.554,38 4.554,39 1,40 6.862,41 6.862,42 1,43 17.824,44 3.712,45 18.872,46 3.564,48 25.435,49 0.67,50 16.679,51 4.317,52 12.981,53 5.31,54 23.561,55 2,56 21.693,57 27.316,58 3,59 1.673,61 1,62 1.204,63 5,64 3.588,65 35.288,66 29.202,67 22.02,68 4.663,69 6.301,70 24.462,71 7.092}
{0 CHEMBL476782,4 34.497,7 164.49,8 240.782,11 1.907,12 7,13 11.369,14 11.369,16 6,17 1.181,20 -0.567,22 69.949,23 4,25 4,27 1.097,28 3.055,29 149.177,30 0.817,31 12.812,32 1.088,33 5.416,34 11.771,35 1,36 0.327,37 4.569,38 4.569,40 7.22,41 7.22,43 19.064,44 4.35,45 20.266,46 3.803,48 26.598,49 1.033,50 17.874,51 4.625,52 13.406,53 5.485,54 24.658,55 1,56 22.722,57 28.541,58 2,59 1.827,62 1.578,63 3,64 3.943,65 49.106,66 30.488,67 23.449,68 5.037,69 6.301,70 25.955,71 6.721}
{0 CHEMBL477393,4 21.967,7 64.84,11 0.657,12 3,13 8.675,14 8.675,16 6,22 22.413,23 1,25 3,27 0.4,28 1.897,29 64.63,30 0.249,31 12.277,32 0.713,33 5.416,34 4.227,36 0.234,37 4.389,38 4.389,40 6.529,41 6.529,42 1,43 17.137,44 3.943,45 17.104,46 3.732,48 24.863,49 0.825,50 16.061,51 4.234,52 12.66,53 5.085,54 23.036,55 2,56 21.215,57 26.696,59 1.641,61 1,62 1.27,63 4,64 3.1,65 19.253,66 28.533,67 21.226,68 4.369,69 4.069,70 23.571,71 6.26}
{0 CHEMBL477407,4 36.328,7 152.1,8 261.908,11 1.744,12 7,13 8.861,14 8.861,16 9,17 1.727,20 -1.085,22 80.508,23 2,25 2,27 0.855,28 3.181,29 133.261,30 0.855,31 12.578,32 0.962,33 5.352,34 4.276,35 1,36 0.552,37 4.527,38 4.527,39 1,40 6.862,41 6.862,43 17.817,44 4.152,45 18.873,46 3.728,48 25.407,49 1,50 16.678,51 4.522,52 12.973,53 5.312,54 23.538,55 2,56 21.678,57 27.285,58 3,59 1.787,62 1.616,63 5,64 3.607,65 47.831,66 29.169,67 22.007,68 4.663,69 6.971,70 24.45,71 7.638}
{0 CHEMBL477408,4 22.561,7 124.8,8 92.558,11 1.744,12 8,13 8.861,14 8.861,16 9,17 1.727,20 -0.851,22 68.303,23 2,25 4,27 0.717,28 2.541,29 133.261,30 0.68,31 12.417,32 0.946,33 4.844,36 0.367,37 4.527,38 4.527,39 1,40 6.862,41 6.862,42 1,43 17.825,44 3.82,45 18.873,46 3.576,48 25.435,49 0.689,50 16.68,51 4.344,52 12.923,53 5.311,54 23.561,55 2,56 21.693,57 27.316,58 3,59 1.71,61 1,62 1.261,63 5,64 3.607,65 38.711,66 29.202,67 22.02,68 4.605,69 6.971,70 24.462,71 7.469}
{0 CHEMBL477604,4 26.089,7 82.86,11 0.657,12 2,13 8.643,14 8.643,16 5,17 0.4,18 1,22 18.598,23 3,25 1,27 0.333,28 1.591,29 75.63,30 0.198,31 12.206,32 0.956,34 4.227,36 0.2,37 4.339,38 4.339,39 1,40 6.208,41 6.208,42 1,43 16.739,44 3.72,45 15.683,46 3.761,48 24.49,49 0.573,50 15.705,51 4.263,52 12.753,53 4.982,54 22.706,55 1,56 20.926,57 26.279,58 1,59 1.638,61 1,62 1.222,63 2,64 3,65 20.488,66 28.071,67 20.596,68 4.477,69 4.069,70 22.859,71 6.237}
{0 CHEMBL477605,4 24.335,7 64.84,11 0.657,12 5,13 9.043,14 9.043,16 6,17 0.172,22 23.715,23 1,25 2,27 0.339,28 2.417,29 64.63,30 0.201,31 12.468,32 1.14,34 4.227,36 0.208,37 4.406,38 4.406,40 6.543,41 6.543,42 1,43 17.337,44 3.823,45 17.175,46 3.785,48 25.068,49 0.775,50 16.254,51 4.554,52 12.876,53 5.118,54 23.236,55 2,56 21.41,57 26.903,59 1.657,61 1,62 1.269,63 4,64 3.125,65 16.889,66 28.743,67 21.427,68 4.543,69 4.069,70 23.771,71 6.125}
{0 CHEMBL477615,4 22.125,7 132.59,8 83.921,11 1.674,12 7,13 8.861,14 8.861,16 7,17 1.181,20 -0.567,22 61.963,23 2,25 2,27 0.724,28 2.073,29 135.032,30 0.624,31 12.337,32 1.041,33 4.844,34 11.771,36 0.368,37 4.554,38 4.554,39 1,40 6.862,41 6.862,42 1,43 17.765,44 3.74,45 18.873,46 3.574,48 25.346,49 0.589,50 16.614,51 4.234,52 12.879,53 5.311,54 23.464,55 2,56 21.59,57 27.234,58 3,59 1.652,61 1,62 1.232,63 5,64 3.589,65 33.113,66 29.127,67 21.98,68 4.543,69 6.301,70 24.431,71 7.444}
{0 CHEMBL477616,4 36.163,7 156.73,8 253.265,11 1.674,12 6,13 8.859,14 8.859,16 9,17 1.656,20 -0.888,22 79.953,23 2,25 1,27 0.78,28 2.768,29 117.494,30 0.839,31 12.567,32 1.005,33 5.352,34 16.047,35 1,36 0.555,37 4.554,38 4.554,39 1,40 6.862,41 6.862,43 17.816,44 4.078,45 18.872,46 3.728,48 25.407,49 0.94,50 16.677,51 4.5,52 13.029,53 5.311,54 23.538,55 2,56 21.678,57 27.285,58 3,59 1.768,62 1.593,63 5,64 3.588,65 44.214,66 29.169,67 22.007,68 4.718,69 6.301,70 24.45,71 7.432}
{0 CHEMBL477772,4 26.988,5 2,6 1,7 127.41,8 77.894,12 3,13 10.671,14 10.671,15 5.298,16 9,19 2,22 21.951,23 1,25 9,26 1.86,27 0.405,28 2.524,29 125.838,30 0.541,31 12.781,32 1.121,33 4.844,34 6.984,35 2,36 0.473,37 4.845,38 4.845,40 7.24,41 7.24,42 1,43 18.708,44 3.859,45 19.593,46 3.85,48 26.237,49 0.634,50 17.528,51 4.691,52 13.579,53 5.375,54 24.312,55 3,56 22.394,57 28.168,58 1,59 1.846,60 2,61 1,62 1.434,63 2,64 3.146,65 72,66 30.105,67 22.858,68 5.427,69 1.2,70 25.337,71 5}
{0 CHEMBL478028,4 21.026,6 1,7 42.74,8 56.97,12 3,13 8.698,14 8.698,16 8,22 19.245,23 1,25 5,26 1.913,27 0.312,28 2.161,29 72.597,30 0.2,31 12.579,32 0.955,33 4.844,34 4.472,35 1,36 0.083,37 4.691,38 4.691,40 6.846,41 6.846,43 17.856,44 3.839,45 18.717,46 3.844,48 25.378,49 0.707,50 16.711,51 4.625,52 13.06,53 5.269,54 23.507,56 21.644,57 27.256,59 1.679,62 1.105,63 2,64 2.947,65 15.119,66 29.14,67 22.021,68 4.856,69 1.315,70 24.463,71 6.917}
{0 CHEMBL478649,4 15.884,7 58.2,12 1,13 8.639,14 8.639,16 2,20 -0.025,22 37.581,25 4,27 0.277,28 1.934,29 50.29,30 0.225,31 12.436,32 1.069,33 6.107,36 0.191,37 4.435,38 4.435,40 6.495,41 6.495,42 1,43 17.296,44 3.831,45 16.796,46 3.767,48 25.016,49 0.825,50 16.229,51 4.369,52 12.882,53 5.109,54 23.201,56 21.391,57 26.836,59 1.629,61 1,62 1.368,64 3.039,65 20.966,66 28.66,67 21.238,68 4.758,69 2.117,70 23.549,71 4.602}
{0 CHEMBL478654,4 26.665,7 152.85,8 188.44,11 0.4,12 2,13 9.292,14 9.292,16 8,17 0.4,20 -0.052,22 57.235,23 4,24 1.721,25 2,27 0.515,28 1.992,29 108.582,30 0.437,31 12.488,32 0.939,33 5.13,34 17.357,35 3,36 0.382,37 4.422,38 4.422,40 6.525,41 6.525,42 1,43 17.296,44 3.94,45 17.174,46 3.836,48 25.051,49 0.667,50 16.22,51 4.554,52 12.964,53 5.106,54 23.223,55 4,56 21.401,57 26.885,58 1,59 1.721,61 1,62 1.422,63 4,64 2.791,65 25.46,66 28.724,67 21.361,68 4.732,69 3.348,70 23.706,71 6.481}
{0 CHEMBL478892,4 22.083,7 80.06,11 0.86,12 7,13 8.627,14 8.627,16 6,17 0.657,18 1,22 29.873,23 1,25 2,27 0.474,28 1.816,29 86.63,30 0.381,31 12.083,32 1.206,34 6.714,36 0.272,37 4.32,38 4.32,39 2,40 6.184,41 6.184,42 1,43 16.575,44 3.708,45 15.536,46 3.678,48 24.386,49 0.738,50 15.549,51 4.111,52 12.531,53 4.976,54 22.599,55 2,56 20.817,57 26.176,59 1.641,61 1,62 1.269,63 4,64 3.05,65 25.501,66 27.97,67 20.464,68 4.205,69 4.069,70 22.718,71 5.796}
{0 CHEMBL480371,1 1,2 1,3 5,4 21.438,5 1,6 1,7 98.38,8 148.928,9 1,10 1,11 0.98,12 4,13 10.986,14 10.986,15 5.493,16 6,18 1,19 1,20 -0.655,21 1,22 61.821,23 1,24 1.079,25 7,26 1.595,27 1.014,28 2.705,29 130.708,30 0.685,31 12.789,32 1.069,33 5.416,34 3.503,35 1,36 0.959,37 4.66,38 4.66,39 1,40 7.122,41 7.122,43 18.627,44 3.895,45 19.072,46 4.005,47 1,48 26.177,49 0.557,50 17.457,51 4.804,52 13.374,53 5.396,54 24.264,55 1,56 22.356,57 28.095,58 1,59 1.704,60 1,62 1.239,63 2,64 3.229,65 149.371,66 30.016,67 22.752,68 5.147,69 5.335,70 25.195,71 6.523}
{0 CHEMBL480382,1 1,2 1,3 2,4 23.926,5 1,6 1,7 145.08,8 218.952,9 1,10 1,11 0.86,12 2,13 9.966,14 9.966,15 5.559,16 7,17 0.86,18 3,19 1,20 -0.527,21 1,22 95.517,23 1,24 2.847,25 8,26 1.867,27 0.545,28 2.578,29 107.827,30 0.493,31 12.719,32 1.157,33 5.733,34 16.632,35 1,36 0.452,37 4.662,38 4.662,39 3,40 6.767,41 6.767,42 1,43 17.975,44 3.889,45 18.418,46 3.998,47 1,48 25.526,49 0.625,50 16.837,51 4.787,52 13.198,53 5.342,54 23.663,55 1,56 21.805,57 27.394,58 1,59 1.635,60 1,61 1,62 1.477,63 4,64 3.076,65 35.052,66 29.266,67 22.087,68 4.997,69 2.302,70 24.495,71 7.959}
{0 CHEMBL480383,1 1,2 1,3 2,4 23.926,5 1,6 1,7 145.08,8 218.952,9 1,10 1,11 0.86,12 1,13 9.966,14 9.966,15 5.559,16 8,17 0.86,18 3,19 1,20 -0.528,21 1,22 97.345,23 1,24 2.848,25 7,26 1.867,27 0.602,28 2.559,29 107.827,30 0.49,31 12.719,32 1.125,33 5.733,34 27.045,35 1,36 0.454,37 4.662,38 4.662,39 3,40 6.767,41 6.767,42 1,43 17.975,44 3.935,45 18.418,46 3.998,47 1,48 25.526,49 0.575,50 16.837,51 4.787,52 13.198,53 5.34,54 23.663,55 1,56 21.805,57 27.394,58 1,59 1.652,60 1,61 1,62 1.37,63 4,64 3.076,65 34.944,66 29.266,67 22.087,68 4.997,69 2.302,70 24.495,71 7.77}
{0 CHEMBL480545,1 1,2 1,3 3,4 24.182,5 1,6 1,7 145.08,8 227.799,9 1,10 1,11 0.86,12 1,13 9.967,14 9.967,15 5.563,16 7,17 0.86,18 3,19 1,20 -0.558,21 1,22 99.018,23 1,24 2.713,25 7,26 1.847,27 0.677,28 2.816,29 146.976,30 0.586,31 12.77,32 1.184,33 5.778,34 16.632,35 1,36 0.518,37 4.662,38 4.662,39 3,40 6.767,41 6.767,42 1,43 18.042,44 3.957,45 18.418,46 3.998,47 1,48 25.614,49 0.622,50 16.909,51 4.812,52 13.271,53 5.342,54 23.754,55 1,56 21.898,57 27.478,58 1,59 1.61,60 1,61 1,62 1.467,63 4,64 3.24,65 37.399,66 29.347,67 22.139,68 5.085,69 2.302,70 24.539,71 8.699}
{0 CHEMBL481156,1 1,2 1,3 4,4 18.295,5 1,6 1,7 98.38,8 126.528,9 1,10 1,12 3,13 9.866,14 9.866,15 5.532,16 6,18 1,19 1,20 -0.517,21 1,22 59.081,23 1,24 1.28,25 8,26 1.918,27 0.463,28 2.506,29 124.976,30 0.272,31 12.566,32 1.088,33 5.416,34 3.503,35 1,36 0.232,37 4.625,38 4.625,39 1,40 6.741,41 6.741,42 1,43 17.776,44 3.728,45 18.28,46 3.976,47 1,48 25.359,49 0.542,50 16.647,51 4.595,52 13.096,53 5.295,54 23.494,55 1,56 21.635,57 27.229,58 1,59 1.696,60 1,61 1,62 1.101,63 2,64 3.012,65 23.834,66 29.104,67 21.924,68 4.902,69 2.302,70 24.331,71 7}
{0 CHEMBL481491,1 1,2 1,3 4,4 19.58,5 1,6 1,7 98.38,8 140.348,9 1,10 1,11 0.98,12 5,13 11.027,14 11.027,15 5.449,16 6,18 1,19 1,20 -0.718,21 1,22 58.766,23 1,24 1.086,25 8,26 1.767,27 0.835,28 2.476,29 130.708,30 0.543,31 12.748,32 1.309,33 5.416,34 3.503,35 1,36 0.928,37 4.625,38 4.625,39 1,40 7.247,41 7.247,43 18.72,44 3.81,45 19.718,46 3.904,47 1,48 26.269,49 0.557,50 17.536,51 4.682,52 13.333,53 5.42,54 24.336,55 1,56 22.41,57 28.206,58 1,59 1.696,60 1,61 1,62 1.252,63 2,64 3.219,65 147.071,66 30.148,67 22.962,68 5.066,69 5.335,70 25.446,71 7.456}
{0 CHEMBL481492,1 1,2 1,3 5,4 19.152,5 1,6 1,7 98.38,8 129.912,9 1,10 1,12 5,13 9.883,14 9.883,15 5.562,16 6,18 1,19 1,20 -0.515,21 1,22 62.266,23 1,24 1.274,25 7,26 1.892,27 0.441,28 2.567,29 124.976,30 0.254,31 12.641,32 1.269,33 5.416,34 3.503,35 1,36 0.229,37 4.635,38 4.635,39 1,40 6.745,41 6.745,43 17.876,44 3.867,45 18.317,46 3.861,47 1,48 25.468,49 0.607,50 16.748,51 4.673,52 13.175,53 5.303,54 23.606,55 1,56 21.749,57 27.334,58 1,59 1.693,60 1,61 1,62 1.249,63 2,64 3.09,65 25.733,66 29.204,67 21.997,68 4.997,69 2.302,70 24.398,71 7.678}
{0 CHEMBL481510,1 1,2 1,3 5,4 21.438,5 1,6 1,7 98.38,8 148.297,9 1,10 1,11 0.98,12 4,13 10.957,14 10.957,15 5.483,16 6,18 1,19 1,20 -0.686,21 1,22 61.821,23 1,24 1.023,25 7,26 1.479,27 1.014,28 2.715,29 130.708,30 0.715,31 12.793,32 1.056,33 5.416,34 3.503,35 1,36 0.959,37 4.666,38 4.666,39 1,40 7.125,41 7.125,43 18.632,44 3.923,45 19.06,46 4.004,47 1,48 26.178,49 0.557,50 17.461,51 4.828,52 13.374,53 5.404,54 24.265,55 1,56 22.357,57 28.096,58 1,59 1.698,60 1,62 1.215,63 2,64 3.229,65 149.371,66 30.018,67 22.758,68 5.147,69 5.335,70 25.203,71 8.046}
{0 CHEMBL481724,1 1,2 1,3 4,4 16.693,5 1,6 1,7 98.38,8 118.834,9 1,10 1,12 5,13 9.866,14 9.866,15 5.529,16 6,18 1,19 1,20 -0.497,21 1,22 55.58,23 1,24 1.299,25 8,26 1.932,27 0.388,28 2.307,29 85.828,30 0.217,31 12.524,32 1.092,33 5.416,34 3.503,35 1,36 0.189,37 4.625,38 4.625,39 1,40 6.741,41 6.741,42 1,43 17.76,44 3.707,45 18.28,46 3.827,47 1,48 25.345,49 0.557,50 16.627,51 4.554,52 13.038,53 5.295,54 23.476,55 1,56 21.614,57 27.218,58 1,59 1.696,60 1,61 1,62 1.107,63 2,64 2.959,65 23.112,66 29.095,67 21.919,68 4.796,69 2.302,70 24.327,71 7.215}
{0 CHEMBL482151,2 1,3 3,4 26.726,5 1,6 1,7 131.86,8 164.564,9 1,10 1,11 1.058,12 3,13 11.138,14 11.138,15 5.866,16 8,17 0.86,18 3,19 1,20 0.078,21 1,22 65.261,23 1,24 1.246,25 7,26 1.792,27 0.885,28 2.93,29 172.755,30 0.664,31 12.911,32 1.252,33 5.416,34 3.503,35 1,36 1.127,37 4.662,38 4.662,39 3,40 7.247,41 7.247,43 18.807,44 4.128,45 19.718,46 3.905,47 1,48 26.344,49 0.575,50 17.625,51 4.905,52 13.457,53 5.421,54 24.419,55 1,56 22.501,57 28.275,58 1,59 1.644,60 1,62 1.442,63 3,64 3.333,65 151.843,66 30.211,67 23.025,68 5.223,69 5.335,70 25.504,71 8.222}
{0 CHEMBL482326,2 1,4 28.962,6 1,7 94.06,8 178.137,11 1.151,12 5,13 11.17,14 11.17,16 8,17 0.86,18 3,20 -0.33,21 1,22 69.252,24 1.149,25 9,26 1.755,27 1.176,28 2.96,29 119.81,30 0.813,31 12.968,32 1.193,33 5.416,34 3.503,36 1.248,37 4.664,38 4.664,39 3,40 7.247,41 7.247,43 18.853,44 4.179,45 19.719,46 3.905,47 1,48 26.397,49 0.652,50 17.672,51 4.963,52 13.495,53 5.424,54 24.473,55 2,56 22.556,57 28.326,58 1,59 1.734,62 1.506,63 5,64 3.33,65 151.02,66 30.26,67 23.07,68 5.255,69 5.335,70 25.549,71 6}
{0 CHEMBL482349,1 1,2 1,3 2,4 23.926,5 2,6 1,7 129.98,8 218.952,9 1,10 1,11 0.86,12 2,13 9.966,14 9.966,15 5.533,16 9,17 0.86,18 3,19 1,20 -0.561,21 1,22 68.33,23 1,24 1.222,25 7,26 1.841,27 0.588,28 2.331,29 117.335,30 0.685,31 12.719,32 1.175,33 5.733,34 20.722,35 1,36 0.537,37 4.662,38 4.662,39 3,40 6.767,41 6.767,42 1,43 17.975,44 3.847,45 18.418,46 3.833,47 1,48 25.526,49 0.575,50 16.837,51 4.787,52 13.198,53 5.336,54 23.663,55 1,56 21.805,57 27.394,58 1,59 1.651,60 1,61 1,62 1.506,63 4,64 3.076,65 38.527,66 29.266,67 22.087,68 4.997,69 2.302,70 24.495,71 7.569}
{0 CHEMBL482767,4 23.036,7 148.31,8 152.453,11 0.247,12 1,13 8.075,14 8.075,16 2,20 -0.359,22 84.806,23 2,24 3.049,25 3,27 0.427,28 2.438,29 114.65,30 0.355,31 12.35,32 0.974,33 5.283,34 20.479,35 1,36 0.333,37 4.509,38 4.509,40 6.512,41 6.512,42 1,43 17.057,44 3.724,45 16.99,46 3.994,48 24.718,49 0.488,50 15.993,51 4.317,52 12.941,53 5.106,54 22.903,55 1,56 21.096,57 26.542,59 1.684,61 1,62 1.183,63 1,64 2.967,65 22.431,66 28.373,67 21.077,68 4.796,69 2.912,70 23.413,71 5.1}
{0 CHEMBL482967,4 25.529,5 1,7 117.43,8 73.373,9 1,11 0.4,12 3,13 9.058,14 9.058,15 5.791,16 6,19 1,22 59.459,24 1.433,25 3,27 0.172,28 2.318,29 94.254,30 0.324,31 12.39,32 0.995,33 4.727,34 3.257,35 2,36 0.298,37 4.442,38 4.442,39 1,40 6.5,41 6.5,42 1,43 17.222,44 3.547,45 16.969,46 3.706,48 24.889,49 0.704,50 16.145,51 4.382,52 12.812,53 5.103,54 23.065,55 1,56 21.247,57 26.719,58 1,59 1.674,61 1,62 1.266,63 1,64 2.809,65 24.022,66 28.553,67 21.22,68 4.62,69 1.72,70 23.55,71 5.05}
{0 CHEMBL483158,4 32.111,7 105.93,11 0.86,12 4,13 10.531,14 10.531,16 11,17 0.795,18 2,20 -0.698,22 52.221,23 2,25 7,27 1.078,28 3.125,29 194.293,30 0.956,31 13.038,32 0.893,33 2.708,34 16.859,36 0.571,37 4.651,38 4.651,39 2,40 6.989,41 6.989,43 18.345,44 4.293,45 19.588,46 3.865,48 26.004,49 0.575,50 17.197,51 5.176,52 13.449,53 5.351,54 24.117,55 1,56 22.236,57 27.898,58 2,59 1.834,62 1.5,63 4,64 3.191,65 55.311,66 29.796,67 22.721,68 5.231,69 2.873,70 25.184,71 5.1}
{0 CHEMBL483321,4 26.984,7 98.26,11 0.86,12 5,13 8.927,14 8.927,16 8,17 0.546,18 1,20 -0.155,22 40.819,23 1,25 8,27 0.396,28 2.33,29 97.501,30 0.336,31 12.578,32 1.034,34 2.328,35 1,36 0.31,37 4.532,38 4.532,39 2,40 6.536,41 6.536,43 17.291,44 4.16,45 17.186,46 3.769,48 24.957,49 0.752,50 16.218,51 4.691,52 13.127,53 5.132,54 23.141,55 1,56 21.333,57 26.78,59 1.867,62 1.431,64 3.114,65 31.037,66 28.61,67 21.301,68 4.997,69 3.636,70 23.65,71 5}
{0 CHEMBL484390,4 23.435,6 1,7 91.02,8 82.897,11 1.058,12 7,13 10.016,14 10.016,16 9,17 0.555,20 -0.11,22 44.572,25 13,26 2.021,27 0.588,28 3.248,29 98.135,30 0.475,31 12.766,32 1.043,33 4.844,34 2.144,36 0.303,37 4.651,38 4.651,40 6.768,41 6.768,43 17.989,44 4.317,45 18.395,46 3.779,47 1,48 25.599,49 0.861,50 16.86,51 4.836,52 13.225,53 5.223,54 23.737,55 2,56 21.882,57 27.466,58 1,59 1.889,62 1.442,63 3,64 3.584,65 25.186,66 29.337,67 22.1,68 4.977,69 4.069,70 24.512,71 5.1}
{0 CHEMBL484473,4 26.238,6 1,7 80.04,8 70.358,12 6,13 8.729,14 8.729,16 9,20 -0.837,22 28.409,23 1,25 6,26 1.834,27 0.41,28 2.601,29 140.425,30 0.537,31 12.711,32 1.101,33 4.844,34 4.472,35 1,36 0.203,37 4.694,38 4.694,40 6.848,41 6.848,43 17.921,44 4.111,45 18.752,46 3.845,48 25.425,49 0.834,50 16.779,51 4.796,52 13.182,53 5.274,54 23.56,56 21.704,57 27.298,59 1.757,62 1.303,63 2,64 3.122,65 40.312,66 29.177,67 22.056,68 5.037,69 3.925,70 24.496,71 7.678}
{0 CHEMBL485285,4 31.575,7 79.63,8 88.375,11 0.8,12 3,13 10.098,14 10.098,16 7,17 0.4,20 -0.13,22 55.803,23 1,25 10,27 0.331,28 3.815,29 65.476,30 0.496,31 12.925,32 0.847,33 4.727,34 4.836,35 1,36 0.255,37 4.606,38 4.606,39 1,40 6.723,41 6.723,43 17.978,44 4.235,45 18.143,46 3.841,48 25.645,49 1.009,50 16.867,51 5.024,52 13.297,53 5.289,54 23.792,56 21.945,57 27.502,58 1,59 1.886,62 1.516,64 3.132,65 26.495,66 29.363,67 22.125,68 5.075,69 2.117,70 24.51,71 4.602}
{0 CHEMBL485286,4 30.799,7 83.29,8 187.145,11 0.4,12 6,13 10.035,14 10.035,16 10,20 -0.134,22 51.258,25 11,27 0.348,28 3.546,29 71.261,30 0.41,31 12.919,32 0.796,33 5.283,34 7.164,35 3,36 0.225,37 4.604,38 4.604,40 6.723,41 6.723,43 17.981,44 4.203,45 18.141,46 3.834,48 25.645,49 1.021,50 16.87,51 4.997,52 13.297,53 5.236,54 23.793,55 1,56 21.946,57 27.502,59 1.866,62 1.518,64 3.102,65 23.679,66 29.363,67 22.124,68 5.075,69 2.117,70 24.508,71 4.602}
{0 CHEMBL485295,4 22.577,6 1,7 85.26,8 64.628,12 3,13 11.341,14 11.341,16 8,22 17.295,23 1,25 9,26 1.763,27 0.35,28 2.719,29 77.761,30 0.242,31 12.729,32 1.2,33 4.844,34 4.472,35 1,36 0.206,37 4.813,38 4.813,40 7.12,41 7.12,42 1,43 18.613,44 4.023,45 19.123,46 3.848,48 26.134,49 0.833,50 17.436,51 4.736,52 13.497,53 5.298,54 24.214,55 1,56 22.3,57 28.059,58 2,59 1.743,61 1,62 1.279,63 2,64 3.115,65 47.86,66 29.988,67 22.762,68 5.301,69 5.9,70 25.223,71 6.648}
{0 CHEMBL485496,4 22.627,6 1,7 42.74,8 59.312,12 3,13 8.711,14 8.711,16 8,22 22.745,23 1,25 4,26 1.85,27 0.402,28 2.269,29 111.746,30 0.233,31 12.638,32 0.984,33 4.844,34 4.472,35 1,36 0.08,37 4.694,38 4.694,40 6.848,41 6.848,43 17.902,44 3.899,45 18.747,46 3.845,48 25.405,49 0.705,50 16.757,51 4.691,52 13.12,53 5.272,54 23.536,56 21.676,57 27.28,59 1.677,62 1.105,63 2,64 3.072,65 14.19,66 29.162,67 22.043,68 4.956,69 1.315,70 24.485,71 6.193}
{0 CHEMBL485497,4 22.67,6 1,7 42.74,8 59.312,12 3,13 8.711,14 8.711,16 8,22 22.3,23 1,25 4,26 1.904,27 0.351,28 2.389,29 72.597,30 0.209,31 12.638,32 1.058,33 4.844,34 4.472,35 1,36 0.068,37 4.694,38 4.694,40 6.848,41 6.848,43 17.902,44 3.932,45 18.747,46 3.899,48 25.405,49 0.706,50 16.757,51 4.691,52 13.12,53 5.272,54 23.536,56 21.676,57 27.28,59 1.676,62 1.105,63 2,64 3.063,65 13.976,66 29.162,67 22.043,68 4.956,69 1.315,70 24.485,71 6.562}
{0 CHEMBL485556,3 1,4 24.946,6 1,7 134.11,8 85.876,10 1,11 1.886,12 8,13 10.017,14 10.017,15 5.36,16 10,17 1.058,20 -0.757,22 46.742,23 1,25 12,26 1.731,27 0.746,28 3.153,29 156.177,30 0.555,31 12.787,32 1.041,33 4.844,34 2.144,36 0.344,37 4.651,38 4.651,40 6.769,41 6.769,43 17.994,44 4.265,45 18.396,46 3.78,47 1,48 25.603,49 0.846,50 16.866,51 4.868,52 13.265,53 5.224,54 23.743,55 2,56 21.889,57 27.469,58 2,59 1.873,62 1.415,63 4,64 3.586,65 43.243,66 29.339,67 22.102,68 5.056,69 4.069,70 24.513,71 5.4}
{0 CHEMBL486123,4 12.138,7 68,8 55.476,12 2,13 8.242,14 8.242,16 5,22 20.139,25 7,27 0.211,28 1.81,29 67.02,30 0.182,31 12.45,32 0.843,33 4.844,34 4.043,35 1,36 0.174,37 4.688,38 4.688,40 6.844,41 6.844,42 1,43 17.738,44 3.617,45 18.684,46 3.754,47 1,48 25.237,49 0.613,50 16.585,51 4.511,52 12.946,53 5.266,54 23.357,55 2,56 21.485,57 27.124,59 1.677,61 1,62 1.084,63 1,64 2.614,65 17.389,66 29.017,67 21.939,68 4.691,69 0.8,70 24.391,71 5}
{0 CHEMBL486124,4 19.205,7 67.58,8 59.682,11 0.4,12 1,13 8.242,14 8.242,16 4,22 32.456,23 1,25 6,27 0.318,28 2.159,29 61.234,30 0.339,31 12.456,32 1.097,33 4.844,34 4.043,35 1,36 0.303,37 4.688,38 4.688,39 1,40 6.844,41 6.844,42 1,43 17.738,44 3.713,45 18.684,46 3.699,47 1,48 25.237,49 0.825,50 16.585,51 4.511,52 12.862,53 5.301,54 23.357,55 2,56 21.486,57 27.124,58 2,59 1.75,61 1,62 1.352,63 1,64 2.634,65 22.449,66 29.017,67 21.939,68 4.62,69 1.72,70 24.391,71 5}
{0 CHEMBL486346,4 16.367,7 55.11,8 59.876,12 1,13 11.384,14 11.384,16 3,22 18.256,25 6,27 0.712,28 1.844,29 95.114,30 0.661,31 12.66,32 0.676,33 4.844,34 4.043,35 1,36 0.822,37 4.689,38 4.689,40 7.116,41 7.116,43 18.574,44 3.615,45 18.991,46 3.751,47 1,48 26.083,49 0.32,50 17.394,51 4.663,52 13.238,53 5.269,54 24.158,55 2,56 22.239,57 28.012,59 1.639,61 1,62 1.16,63 1,64 2.814,65 129.283,66 29.946,67 22.731,68 4.987,69 5.335,70 25.195,71 5}
{0 CHEMBL486367,4 26.519,7 82.8,8 80.262,11 0.86,12 2,13 11.377,14 11.377,16 5,17 0.86,18 3,22 33.986,23 2,25 8,27 1.072,28 2.233,29 128.114,30 1.162,31 12.89,32 0.823,33 4.844,34 4.043,35 2,36 1.219,37 4.692,38 4.692,39 3,40 7.112,41 7.112,43 18.711,44 3.944,45 18.984,46 3.834,47 1,48 26.252,49 0.584,50 17.54,51 4.913,52 13.443,53 5.289,54 24.337,55 2,56 22.429,57 28.171,58 4,59 1.661,62 1.49,63 2,64 3.284,65 153.44,66 30.094,67 22.871,68 5.231,69 5.335,70 25.322,71 5.975}
{0 CHEMBL486550,4 16.865,7 100.93,8 58.554,13 8.292,14 8.292,16 5,22 17.827,25 12,27 0.449,28 1.778,29 100.981,30 0.338,31 12.57,32 0.765,33 4.844,34 4.043,35 2,36 0.299,37 4.689,38 4.689,40 6.844,41 6.844,42 1,43 17.829,44 3.598,45 18.685,46 3.753,47 1,48 25.357,49 0.31,50 16.685,51 4.644,52 13.148,53 5.267,54 23.488,55 3,56 21.627,57 27.233,59 1.686,61 1,62 1.104,63 1,64 2.805,65 40.196,66 29.115,67 21.993,68 4.987,69 4.612,70 24.434,71 5.551}
{0 CHEMBL486551,4 14.823,7 123.65,8 62.367,13 11.384,14 11.384,15 5.113,16 3,19 2,22 16.621,25 10,27 0.446,28 2.141,29 125.838,30 0.334,31 12.65,32 0.755,33 4.844,34 4.043,35 1,36 0.392,37 4.801,38 4.801,40 7.111,41 7.111,42 1,43 18.559,44 3.667,45 18.958,46 3.768,47 1,48 26.077,49 0.521,50 17.381,51 4.682,52 13.462,53 5.298,54 24.152,55 3,56 22.234,57 28.006,59 1.667,60 2,61 1,62 1.125,63 1,64 2.797,65 64.751,66 29.939,67 22.717,68 5.27,69 0.8,70 25.179,71 5.562}
{0 CHEMBL486966,4 26.377,7 92.03,8 70.93,11 0.86,12 4,13 10.263,14 10.263,16 7,17 0.86,18 4,22 36.044,23 2,25 8,27 0.641,28 2.232,29 94.234,30 0.777,31 12.83,32 0.963,33 4.844,34 4.043,35 2,36 0.531,37 4.707,38 4.707,39 4,40 6.903,41 6.903,42 1,43 18.202,44 4.015,45 19.107,46 3.778,47 1,48 25.762,49 0.584,50 17.051,51 4.868,52 13.293,53 5.299,54 23.882,55 2,56 22.008,57 27.648,58 4,59 1.643,61 1,62 1.511,63 4,64 2.973,65 32.149,66 29.538,67 22.437,68 5.094,69 1.72,70 24.881,71 5.247}
{0 CHEMBL487574,4 27.017,7 128.62,8 72.884,11 0.86,12 4,13 10.263,14 10.263,16 7,17 0.86,18 3,22 33.557,23 2,25 12,27 0.774,28 2.227,29 133.981,30 0.814,31 12.876,32 0.725,33 4.844,34 4.043,35 2,36 0.668,37 4.719,38 4.719,39 3,40 6.929,41 6.929,42 1,43 18.281,44 3.955,45 19.278,46 3.865,47 1,48 25.854,49 0.584,50 17.128,51 4.905,52 13.395,53 5.315,54 23.97,55 3,56 22.093,57 27.742,58 6,59 1.687,61 1,62 1.522,63 4,64 3.276,65 61.828,66 29.635,67 22.53,68 5.231,69 4.612,70 24.98,71 5.703}
{0 CHEMBL487776,4 11.912,7 55.11,8 47.21,12 1,13 8.256,14 8.256,16 3,22 24.986,25 6,27 0.281,28 2.327,29 50.234,30 0.198,31 12.455,32 0.929,33 4.844,34 4.043,35 1,36 0.19,37 4.688,38 4.688,40 6.844,41 6.844,42 1,43 17.753,44 3.676,45 18.685,46 3.71,47 1,48 25.245,49 0.82,50 16.599,51 4.522,52 12.855,53 5.267,54 23.364,55 2,56 21.492,57 27.131,59 1.641,61 1,62 1.228,63 1,64 2.577,65 16.671,66 29.024,67 21.948,68 4.62,69 0.8,70 24.399,71 5}
{0 CHEMBL487976,4 11.912,7 55.11,8 47.21,12 1,13 8.256,14 8.256,16 3,22 15.07,25 6,27 0.185,28 1.676,29 50.234,30 0.146,31 12.455,32 0.79,33 4.844,34 4.043,35 1,36 0.13,37 4.689,38 4.689,40 6.844,41 6.844,42 1,43 17.753,44 3.554,45 18.685,46 3.745,47 1,48 25.245,49 0.31,50 16.599,51 4.522,52 12.942,53 5.267,54 23.364,55 2,56 21.492,57 27.131,59 1.637,61 1,62 1.062,63 1,64 2.577,65 13.032,66 29.024,67 21.948,68 4.691,69 0.8,70 24.399,71 5.921}
{0 CHEMBL487977,4 16.226,7 64.34,8 53.476,12 2,13 8.266,14 8.266,16 5,18 1,22 20.314,23 1,25 7,27 0.262,28 1.792,29 61.234,30 0.229,31 12.532,32 0.791,33 4.844,34 4.043,35 1,36 0.204,37 4.689,38 4.689,39 1,40 6.844,41 6.844,42 1,43 17.788,44 3.646,45 18.685,46 3.748,47 1,48 25.281,49 0.573,50 16.639,51 4.605,52 13.021,53 5.267,54 23.407,55 2,56 21.541,57 27.162,58 2,59 1.638,61 1,62 1.163,63 1,64 2.658,65 17.709,66 29.05,67 21.965,68 4.808,69 1.72,70 24.413,71 6.523}
{0 CHEMBL489083,4 10.88,7 123.06,8 107.564,11 0.8,13 11.193,14 11.193,15 5.408,16 8,17 0.42,19 1,20 -0.557,22 67.527,25 5,27 0.523,28 3.808,29 114.859,30 0.439,31 13.36,32 1.024,33 5.974,34 24.41,36 0.24,37 4.984,38 4.984,40 7.389,41 7.389,42 1,43 19.23,44 4.151,45 21.441,46 3.907,48 26.598,49 0.784,50 17.996,51 5.533,52 13.687,53 5.59,54 24.653,55 2,56 22.714,57 28.548,59 1.848,61 1,62 1.434,63 3,64 3.351,65 20.218,66 30.504,67 23.695,68 5.447,69 7.107,70 26.274,71 5.004}
{0 CHEMBL489992,4 13.1,7 50.95,8 54.722,12 4,13 8.696,14 8.696,16 4,22 22.051,25 6,27 0.198,28 1.925,29 46.116,30 0.203,31 12.467,32 1.071,33 4.727,34 7.164,35 2,36 0.089,37 4.613,38 4.613,40 6.722,41 6.722,43 17.54,44 3.701,45 18.119,46 3.781,48 25.157,49 0.61,50 16.423,51 4.522,52 12.96,53 5.212,54 23.302,56 21.454,57 27.018,59 1.634,61 1,62 1.164,63 1,64 2.693,65 14.111,66 28.885,67 21.697,68 4.745,69 1.315,70 24.103,71 6.26}
{0 CHEMBL489993,4 15.525,7 50.95,8 57.064,12 4,13 8.703,14 8.703,16 4,22 25.236,25 6,27 0.219,28 2.021,29 46.116,30 0.253,31 12.532,32 1.19,33 4.727,34 7.164,35 2,36 0.104,37 4.618,38 4.618,40 6.726,41 6.726,43 17.601,44 3.802,45 18.161,46 3.806,48 25.19,49 0.719,50 16.484,51 4.595,52 13.025,53 5.22,54 23.338,56 21.493,57 27.049,59 1.634,62 1.237,63 1,64 2.813,65 15.425,66 28.913,67 21.726,68 4.856,69 1.315,70 24.133,71 6.481}
{0 CHEMBL490814,4 16.992,7 71.18,8 65.228,12 5,13 8.708,14 8.708,16 4,22 30.62,25 6,27 0.26,28 2.391,29 127.948,30 0.367,31 12.59,32 1.062,33 4.727,34 7.164,35 2,36 0.118,37 4.619,38 4.619,40 6.726,41 6.726,43 17.621,44 3.962,45 18.169,46 3.842,48 25.21,49 0.82,50 16.505,51 4.691,52 13.045,53 5.22,54 23.359,56 21.516,57 27.067,59 1.741,62 1.24,63 1,64 2.974,65 20.178,66 28.93,67 21.743,68 4.856,69 1.315,70 24.148,71 7.004}
{0 CHEMBL490992,4 10.674,7 79.19,8 106.571,12 4,13 8.694,14 8.694,16 3,22 48.316,24 1.649,25 5,27 0.174,28 1.874,29 46.116,30 0.112,31 12.4,32 0.803,33 5.283,34 20.294,35 2,36 0.06,37 4.611,38 4.611,40 6.719,41 6.719,42 1,43 17.507,44 3.502,45 18.082,46 3.839,48 25.132,49 0.57,50 16.387,51 4.431,52 12.888,53 5.228,54 23.273,56 21.421,57 26.996,59 1.632,61 1,62 1.062,63 1,64 2.578,65 11.14,66 28.865,67 21.676,68 4.62,69 1.315,70 24.081,71 5.522}
{0 CHEMBL491021,3 1,4 17.688,7 94.04,8 68.11,12 6,13 8.708,14 8.708,15 5.271,16 5,19 1,20 -0.349,22 35.325,25 7,27 0.32,28 2.412,29 143.307,30 0.425,31 12.613,32 1.06,33 4.727,34 7.164,35 2,36 0.156,37 4.619,38 4.619,40 6.726,41 6.726,43 17.627,44 3.974,45 18.17,46 3.842,48 25.215,49 0.816,50 16.512,51 4.71,52 13.093,53 5.22,54 23.367,56 21.526,57 27.071,59 1.759,60 1,61 1,62 1.304,63 1,64 3.115,65 28.622,66 28.933,67 21.744,68 4.945,69 3.272,70 24.149,71 7.292}
{0 CHEMBL491022,4 17.95,7 50.95,8 56.201,12 5,13 8.676,14 8.676,16 4,22 21.4,25 5,27 0.211,28 1.928,29 46.116,30 0.148,31 12.36,32 1.05,33 4.727,34 7.164,35 2,36 0.084,37 4.557,38 4.557,40 6.556,41 6.556,42 1,43 17.244,44 3.714,45 17.148,46 3.802,48 24.873,49 0.661,50 16.153,51 4.407,52 12.855,53 5.141,54 23.04,56 21.214,57 26.711,59 1.635,61 1,62 1.062,63 1,64 2.721,65 14.31,66 28.554,67 21.276,68 4.62,69 1.36,70 23.631,71 4.699}
{0 CHEMBL491193,4 15.525,7 50.95,8 54.083,12 4,13 8.788,14 8.788,16 4,22 25.818,25 6,27 0.28,28 2.78,29 46.116,30 0.214,31 12.497,32 0.863,33 4.727,34 7.164,35 2,36 0.128,37 4.595,38 4.595,40 6.799,41 6.799,43 17.688,44 3.795,45 18.55,46 3.703,48 25.327,49 0.837,50 16.559,51 4.522,52 12.848,53 5.245,54 23.459,56 21.598,57 27.201,59 1.634,62 1.281,63 1,64 2.754,65 16.674,66 29.079,67 21.909,68 4.605,69 1.315,70 24.334,71 5.245}
{0 CHEMBL491473,4 25.689,7 72.5,8 174.036,11 0.86,12 5,13 10.452,14 10.452,16 11,17 0.8,18 3,22 60.37,25 8,27 0.687,28 2.662,29 81.531,30 0.737,31 12.809,32 1.094,33 5.283,34 24.676,35 1,36 0.379,37 4.62,38 4.62,39 3,40 6.671,41 6.671,43 17.958,44 4.038,45 18.01,46 3.729,48 25.534,49 0.909,50 16.833,51 4.875,52 13.279,53 5.244,54 23.68,55 2,56 21.831,57 27.394,58 2,59 1.793,61 1,62 1.559,63 3,64 3.004,65 25.934,66 29.259,67 22.025,68 5.13,69 1.72,70 24.419,71 5.05}
{0 CHEMBL491621,4 17.907,7 69.41,8 63.7,11 0.657,12 4,13 9.101,14 9.101,16 6,18 2,22 29.352,25 10,27 0.264,28 2.056,29 68.116,30 0.365,31 12.599,32 0.964,33 4.727,34 7.164,35 2,36 0.227,37 4.619,38 4.619,39 2,40 6.726,41 6.726,42 1,43 17.692,44 3.815,45 18.15,46 3.803,48 25.334,49 0.575,50 16.577,51 4.663,52 13.076,53 5.22,54 23.482,56 21.636,57 27.19,58 2,59 1.634,61 1,62 1.382,63 1,64 3.06,65 21.292,66 29.052,67 21.833,68 4.856,69 1.72,70 24.226,71 5.307}
{0 CHEMBL491758,4 18.93,7 49.84,13 7.531,14 7.531,22 18.862,23 1,27 0.241,28 1.196,29 48.531,30 0.207,31 11.923,32 1.082,34 19.187,36 0.138,37 4.278,38 4.278,40 6.116,41 6.116,42 1,43 16.26,44 3.254,45 15.243,46 3.712,48 23.95,49 0.218,50 15.245,51 3.97,52 12.444,53 4.916,54 22.186,55 1,56 20.429,57 25.718,59 1.311,61 1,62 1.062,64 2.591,65 11.61,66 27.491,67 19.976,68 4.227,69 0.8,70 22.223,71 5.1}
{0 CHEMBL491850,4 24.275,6 1,7 42.74,8 62.075,12 5,13 8.751,14 8.751,16 8,22 18.93,23 1,25 6,26 2.024,27 0.312,28 2.356,29 33.449,30 0.245,31 12.651,32 1.176,33 4.844,34 4.472,35 1,36 0.142,37 4.692,38 4.692,40 6.847,41 6.847,43 17.919,44 4.05,45 18.732,46 3.811,48 25.468,49 0.834,50 16.778,51 4.7,52 13.114,53 5.272,54 23.602,56 21.743,57 27.34,59 1.753,62 1.28,63 2,64 2.992,65 19.709,66 29.217,67 22.067,68 4.902,69 1.315,70 24.501,71 5.831}
{0 CHEMBL492008,1 1,4 12.516,5 2,7 166.4,8 34.897,10 1,11 0.98,13 9.158,14 9.158,15 4.991,16 4,20 -0.973,22 45.744,23 1,24 0.631,25 10,27 0.543,28 1.618,29 165.222,30 0.344,31 12.342,32 0.28,33 4.844,34 0.746,36 0.381,37 4.793,38 4.793,40 6.919,41 6.919,42 1,43 17.996,44 1.854,45 19.133,46 3.503,48 25.468,50 16.819,51 4.304,52 13.103,53 5.36,54 23.575,55 1,56 21.688,57 27.367,58 6,59 1.433,60 1,61 1,62 0.671,63 2,64 3.642,65 92.256,66 29.27,67 22.154,68 4.977,69 4.647,70 24.624,71 5.049}
{0 CHEMBL492009,4 11.785,7 119.75,8 36.141,13 11.07,14 11.07,16 3,22 40.11,24 0.35,25 7,27 1.294,28 1.478,29 163.684,30 0.32,31 12.402,32 1.518,33 4.844,34 0.746,35 1,36 0.944,37 4.787,38 4.787,40 7.148,41 7.148,42 1,43 18.617,44 0.835,45 19.391,46 3.578,48 26.09,50 17.42,51 4.331,52 13.178,53 5.412,54 24.157,55 1,56 22.228,57 28.026,58 2,59 1.304,61 1,62 0.6,63 1,64 3.49,65 203.917,66 29.966,67 22.743,68 5.056,69 5.825,70 25.22,71 4.409}
{0 CHEMBL492055,4 25.941,6 1,7 45.98,8 62.075,12 3,13 8.751,14 8.751,16 10,22 18.501,23 1,25 6,26 1.998,27 0.337,28 2.272,29 33.449,30 0.26,31 12.651,32 1.027,33 4.844,34 4.472,35 1,36 0.174,37 4.692,38 4.692,40 6.847,41 6.847,43 17.919,44 4.007,45 18.732,46 3.8,48 25.468,49 0.792,50 16.778,51 4.7,52 13.114,53 5.272,54 23.602,56 21.743,57 27.34,59 1.733,61 1,62 1.28,63 3,64 2.984,65 19.852,66 29.217,67 22.067,68 4.902,69 1.457,70 24.501,71 6.01}
{0 CHEMBL492251,4 18.333,7 82.96,8 64.178,11 0.86,12 4,13 9.263,14 9.263,16 5,17 0.4,18 2,22 30.274,23 2,25 5,27 0.256,28 2.083,29 69.845,30 0.313,31 12.614,32 1.155,33 4.595,34 13.915,36 0.2,37 4.524,38 4.524,39 2,40 6.705,41 6.705,42 1,43 17.663,44 3.954,45 18.083,46 3.739,48 25.362,49 0.574,50 16.557,51 4.682,52 13.166,53 5.176,54 23.511,56 21.666,57 27.217,58 1,59 1.696,61 1,62 1.289,63 1,64 3.097,65 19.451,66 29.076,67 21.855,68 4.913,69 4.069,70 24.239,71 5}
{0 CHEMBL493169,4 20.266,7 67.14,8 54.963,11 0.4,13 10.919,14 10.919,16 5,22 22.023,25 10,27 0.843,28 2.106,29 94.869,30 0.718,31 12.57,32 1.058,33 4.727,34 2.328,35 2,36 0.877,37 4.625,38 4.625,40 7.119,41 7.119,42 1,43 18.44,44 3.597,45 18.986,46 3.698,48 25.981,49 0.565,50 17.265,51 4.605,52 13.085,53 5.261,54 24.057,55 2,56 22.139,57 27.909,59 1.515,61 1,62 1.35,64 2.805,65 136.913,66 29.842,67 22.59,68 4.832,69 5.335,70 25.045,71 5.398}
{0 CHEMBL493326,1 1,2 1,3 4,4 22.069,5 1,6 1,7 107.61,8 142.708,9 1,10 1,11 0.86,12 4,13 10.031,14 10.031,15 5.604,16 9,18 2,19 1,20 -0.551,21 1,22 59.732,23 1,24 1.245,25 7,26 1.877,27 0.594,28 2.686,29 135.976,30 0.502,31 12.746,32 1.162,33 5.416,34 3.503,35 1,36 0.321,37 4.64,38 4.64,39 2,40 6.752,41 6.752,43 18.018,44 3.998,45 18.336,46 3.986,47 1,48 25.622,49 0.64,50 16.887,51 4.787,52 13.232,53 5.316,54 23.757,55 1,56 21.896,57 27.491,58 1,59 1.699,60 1,61 1,62 1.316,63 3,64 3.242,65 31.599,66 29.364,67 22.148,68 5.037,69 2.302,70 24.55,71 9}
{0 CHEMBL493940,2 1,4 9.487,6 1,7 68.77,8 67.746,12 1,13 9.407,14 9.407,16 2,22 21.373,23 2,25 4,26 1.928,27 0.377,28 1.614,29 59.864,30 0.13,31 12.645,32 0.983,33 5.416,34 4.472,35 1,36 0.284,37 4.806,38 4.806,40 7.001,41 7.001,42 1,43 18.175,44 3.269,45 19.499,46 3.559,47 1,48 25.633,49 0.305,50 16.995,51 4.718,52 13.13,53 5.364,54 23.733,55 3,56 21.84,57 27.538,59 1.553,61 1,62 1.062,63 3,64 2.502,65 15.408,66 29.449,67 22.445,68 4.913,69 0.8,70 24.934,71 4.301}
{0 CHEMBL494089,3 1,4 25.311,5 2,6 1,7 137.14,8 141.873,10 2,11 0.4,12 5,13 9.999,14 9.999,15 5.931,16 3,18 1,22 35.68,23 3,25 3,26 1.941,27 0.765,28 2.502,29 169.306,30 0.88,31 12.842,32 1.073,33 5.416,34 38.533,35 1,36 0.323,37 4.798,38 4.798,39 1,40 7.083,41 7.083,42 1,43 18.566,44 4.198,45 19.91,46 3.71,47 1,48 25.993,49 0.871,50 17.389,51 4.913,52 13.361,53 5.397,54 24.092,55 2,56 22.196,57 27.901,58 2,59 1.793,61 1,62 1.477,63 6,64 3.006,65 34.585,66 29.813,67 22.837,68 5.027,69 2.256,70 25.327,71 5}
{0 CHEMBL494221,4 16.098,7 75.34,8 58.681,13 10.919,14 10.919,16 5,22 22.88,25 10,27 0.992,28 2.38,29 137.553,30 0.757,31 12.611,32 1.014,33 4.727,34 2.328,35 2,36 0.89,37 4.625,38 4.625,40 7.119,41 7.119,42 1,43 18.448,44 3.651,45 18.986,46 3.734,48 25.988,49 0.735,50 17.276,51 4.644,52 13.111,53 5.263,54 24.067,55 2,56 22.152,57 27.915,59 1.515,61 1,62 1.354,64 2.843,65 149.159,66 29.846,67 22.592,68 4.879,69 5.335,70 25.047,71 5.398}
{0 CHEMBL495729,4 24.475,7 84.15,8 204.458,12 9,13 9.372,14 9.372,16 10,20 -0.142,22 48.223,25 10,27 0.28,28 2.752,29 84.764,30 0.333,31 12.78,32 0.919,33 5.209,34 2.328,35 2,36 0.283,37 4.5,38 4.5,40 6.652,41 6.652,43 17.738,44 4.155,45 17.718,46 3.827,48 25.443,49 0.868,50 16.646,51 4.804,52 13.231,53 5.186,54 23.606,55 3,56 21.775,57 27.284,59 1.751,61 1,62 1.493,64 3.099,65 24.744,66 29.13,67 21.808,68 5.037,69 2.117,70 24.166,71 4.602}
{0 CHEMBL495926,4 23.738,6 1,7 51.97,8 59.523,12 3,13 8.7,14 8.7,16 10,18 1,22 20.988,23 1,25 6,26 1.938,27 0.333,28 2.147,29 44.448,30 0.241,31 12.606,32 0.995,33 4.844,34 4.472,35 1,36 0.151,37 4.691,38 4.691,39 1,40 6.846,41 6.846,42 1,43 17.866,44 3.894,45 18.722,46 3.78,48 25.392,49 0.709,50 16.722,51 4.663,52 13.073,53 5.27,54 23.522,56 21.661,57 27.268,59 1.688,61 1,62 1.279,63 3,64 2.884,65 20.345,66 29.15,67 22.03,68 4.856,69 1.72,70 24.47,71 5.227}
{0 CHEMBL496125,4 19.381,6 1,7 42.74,8 56.331,12 3,13 9.076,14 9.076,16 7,22 24.865,23 1,25 5,26 1.639,27 0.365,28 2.045,29 48.409,30 0.405,31 12.607,32 0.842,33 4.844,34 19.432,35 1,36 0.066,37 4.705,38 4.705,40 6.894,41 6.894,43 17.968,44 3.77,45 19.033,46 3.78,48 25.517,49 0.708,50 16.816,51 4.635,52 13.086,53 5.288,54 23.637,56 21.764,57 27.403,59 1.682,61 1,62 1.105,63 2,64 3.001,65 14.572,66 29.294,67 22.181,68 4.856,69 1.315,70 24.634,71 5.345}
{0 CHEMBL496129,3 1,4 25.762,7 102.73,8 116.378,11 0.8,12 4,13 9.162,14 9.162,15 5.774,16 4,17 0.172,19 1,20 -0.104,22 71.639,24 1.439,25 6,27 0.272,28 3.598,29 74.828,30 0.34,31 12.712,32 0.962,33 4.595,34 11.771,36 0.295,37 4.421,38 4.421,40 6.477,41 6.477,43 17.406,44 4.207,45 16.737,46 3.88,48 25.132,49 0.825,50 16.347,51 4.771,52 13.158,53 5.123,54 23.323,56 21.521,57 26.946,59 1.876,62 1.479,64 3.044,65 25.143,66 28.766,67 21.362,68 4.987,69 2.117,70 23.672,71 4.602}
{0 CHEMBL496337,1 1,4 22.249,6 1,7 85.83,8 60.238,9 1,10 1,12 3,13 9.751,14 9.751,15 5.558,16 9,19 2,20 -0.484,22 23.634,23 2,25 7,26 1.755,27 0.353,28 2.208,29 91.491,30 0.193,31 12.698,32 0.848,33 4.844,34 4.472,35 2,36 0.129,37 4.714,38 4.714,40 6.929,41 6.929,42 1,43 18.093,44 3.942,45 19.278,46 3.805,48 25.663,49 0.709,50 16.938,51 4.727,52 13.176,53 5.31,54 23.778,56 21.9,57 27.553,59 1.686,60 1,61 1,62 1.29,63 3,64 3.113,65 25.416,66 29.447,67 22.347,68 4.945,69 1.96,70 24.806,71 7.377}
{0 CHEMBL496954,4 20.018,6 1,7 42.74,8 56.331,12 3,13 9.076,14 9.076,16 8,22 18.93,23 1,25 7,26 2.014,27 0.304,28 2.162,29 33.449,30 0.18,31 12.607,32 0.788,33 4.844,34 4.472,35 1,36 0.121,37 4.705,38 4.705,40 6.894,41 6.894,43 17.968,44 3.895,45 19.033,46 3.781,48 25.517,49 0.712,50 16.816,51 4.635,52 13.086,53 5.291,54 23.637,56 21.764,57 27.403,59 1.684,62 1.289,63 2,64 2.876,65 16.966,66 29.294,67 22.181,68 4.856,69 1.315,70 24.634,71 5.114}
{0 CHEMBL497151,4 10.388,7 109.51,8 100.166,12 6,13 8.915,14 8.915,16 3,18 1,22 51.226,24 1.451,25 9,27 0.32,28 2.352,29 116.585,30 0.373,31 12.444,32 1.178,33 5.352,34 2.104,36 0.341,37 4.598,38 4.598,39 1,40 6.6,41 6.6,42 1,43 17.435,44 3.508,45 17.519,46 3.777,48 24.962,49 0.173,50 16.324,51 4.511,52 12.966,53 5.239,54 23.124,55 2,56 21.293,57 26.806,58 4,59 1.548,61 1,62 1.052,64 2.818,65 20.951,66 28.656,67 21.441,68 4.808,69 1.72,70 23.817,71 5.4}
{0 CHEMBL497158,4 21.85,6 1,7 42.74,8 56.97,12 3,13 8.698,14 8.698,16 8,22 18.93,23 1,25 6,26 1.998,27 0.289,28 2.14,29 33.449,30 0.188,31 12.579,32 1.115,33 4.844,34 4.472,35 1,36 0.121,37 4.691,38 4.691,40 6.846,41 6.846,43 17.856,44 3.893,45 18.717,46 3.784,48 25.378,49 0.727,50 16.711,51 4.625,52 13.06,53 5.27,54 23.507,56 21.644,57 27.256,59 1.691,62 1.26,63 2,64 2.77,65 17.035,66 29.14,67 22.021,68 4.856,69 1.315,70 24.463,71 6.324}
{0 CHEMBL497159,4 21.969,6 1,7 51.97,8 58.285,12 5,13 9.307,14 9.307,16 8,18 1,22 20.988,23 1,25 7,26 1.92,27 0.351,28 2.167,29 44.448,30 0.349,31 12.643,32 1.063,33 4.844,34 4.472,35 1,36 0.151,37 4.707,38 4.707,39 1,40 6.903,41 6.903,42 1,43 17.997,44 3.932,45 19.107,46 3.778,48 25.551,49 0.708,50 16.844,51 4.682,52 13.1,53 5.293,54 23.67,56 21.796,57 27.438,59 1.683,61 1,62 1.291,63 3,64 2.969,65 19.83,66 29.329,67 22.234,68 4.856,69 1.72,70 24.688,71 4.84}
{0 CHEMBL497167,4 27.865,6 1,7 71.84,8 79.685,11 0.149,12 5,13 10.291,14 10.291,16 9,20 -0.129,22 33.077,23 1,25 5,26 1.89,27 0.323,28 3.125,29 97.742,30 0.402,31 12.937,32 1.034,33 4.844,34 4.472,35 1,36 0.138,37 4.697,38 4.697,40 6.851,41 6.851,43 18.159,44 4.376,45 18.789,46 3.85,48 25.719,49 0.834,50 17.02,51 5.03,52 13.386,53 5.281,54 23.851,56 21.99,57 27.593,59 1.871,62 1.598,63 2,64 3.128,65 22.219,66 29.472,67 22.334,68 5.198,69 3.306,70 24.763,71 6.684}
{0 CHEMBL497350,4 27.451,7 74.5,8 119.378,11 0.8,12 7,13 9.214,14 9.214,16 6,17 0.172,20 -0.111,22 50.329,25 10,27 0.329,28 3.472,29 67.978,30 0.413,31 12.792,32 1.065,33 4.595,36 0.36,37 4.5,38 4.5,40 6.652,41 6.652,43 17.648,44 4.298,45 17.718,46 3.827,48 25.339,49 0.825,50 16.564,51 4.836,52 13.235,53 5.2,54 23.511,55 2,56 21.691,57 27.173,59 1.888,62 1.484,64 3.044,65 28.733,66 29.014,67 21.685,68 5.075,69 2.117,70 24.045,71 4.602}
{0 CHEMBL497353,3 2,4 25.762,7 87.63,8 88.671,11 0.8,12 4,13 9.747,14 9.747,15 5.834,16 5,17 0.172,19 2,20 -0.126,22 43.655,25 8,27 0.314,28 3.18,29 87.373,30 0.427,31 12.748,32 1.046,33 4.727,34 7.164,36 0.252,37 4.568,38 4.568,40 6.559,41 6.559,43 17.657,44 4.127,45 17.204,46 3.822,48 25.32,49 0.825,50 16.569,51 4.804,52 13.226,53 5.19,54 23.49,56 21.667,57 27.156,59 1.882,60 1,62 1.479,64 3.045,65 22.902,66 28.996,67 21.649,68 5.075,69 2.117,70 23.991,71 4.602}
{0 CHEMBL497563,4 21.12,7 67.16,8 61.708,13 10.098,14 10.098,16 5,20 0.012,22 41.962,25 9,27 0.274,28 2.855,29 54.476,30 0.337,31 12.73,32 0.917,33 5.82,34 4.836,35 1,36 0.154,37 4.606,38 4.606,40 6.723,41 6.723,42 1,43 17.878,44 3.889,45 18.143,46 3.741,48 25.509,49 0.825,50 16.76,51 4.762,52 13.118,53 5.222,54 23.651,56 21.799,57 27.371,59 1.634,61 1,62 1.376,64 3.031,65 18.329,66 29.237,67 22.019,68 4.934,69 2.117,70 24.413,71 4.602}
{0 CHEMBL497949,1 1,3 1,4 23.113,7 94.71,8 80.315,11 0.6,12 6,13 9.144,14 9.144,15 5.432,16 8,17 0.172,19 1,20 0.138,21 1,22 41.598,23 2,25 10,27 0.355,28 3.325,29 117.511,30 0.39,31 12.833,32 0.92,33 4.844,34 2.144,35 1,36 0.21,37 4.72,38 4.72,40 6.989,41 6.989,43 18.098,44 4.374,45 19.342,46 3.795,48 25.646,49 0.825,50 16.944,51 4.927,52 13.26,53 5.321,54 23.761,56 21.887,57 27.539,58 1,59 1.915,60 2,62 1.454,64 3.017,65 28.418,66 29.439,67 22.413,68 5.027,69 1.96,70 24.891,71 5}
{0 CHEMBL498189,4 21.052,6 1,7 42.74,8 57.77,12 3,13 8.695,14 8.695,16 8,22 24.865,23 1,25 6,26 1.824,27 0.301,28 2.049,29 48.409,30 0.186,31 12.572,32 1.025,33 4.844,34 19.432,35 1,36 0.066,37 4.689,38 4.689,40 6.844,41 6.844,43 17.843,44 3.77,45 18.688,46 3.784,48 25.371,49 0.704,50 16.698,51 4.625,52 13.059,53 5.267,54 23.5,56 21.637,57 27.249,59 1.682,61 1,62 1.105,63 2,64 2.91,65 15.958,66 29.132,67 22.01,68 4.856,69 1.315,70 24.451,71 5.489}
{0 CHEMBL498190,4 28.876,6 1,7 92.07,8 79.732,11 0.149,12 6,13 8.729,14 8.729,16 9,20 -0.106,22 34.31,23 1,25 6,26 1.867,27 0.448,28 2.777,29 140.425,30 0.507,31 12.742,32 1.125,33 4.844,34 4.472,35 2,36 0.198,37 4.694,38 4.694,40 6.848,41 6.848,43 17.925,44 4.257,45 18.752,46 3.845,48 25.433,49 0.897,50 16.785,51 4.828,52 13.197,53 5.274,54 23.57,56 21.716,57 27.304,59 1.854,62 1.568,63 2,64 3.122,65 29.473,66 29.182,67 22.058,68 5.037,69 3.306,70 24.498,71 7.319}
{0 CHEMBL498191,4 26.245,5 1,6 1,7 68.76,8 67.476,12 4,13 8.728,14 8.728,15 5.675,16 8,19 1,22 29.605,23 1,25 5,26 1.947,27 0.356,28 2.625,29 105.494,30 0.358,31 12.691,32 1.078,33 4.844,34 4.472,35 1,36 0.13,37 4.694,38 4.694,40 6.848,41 6.848,43 17.917,44 4.15,45 18.752,46 3.845,48 25.421,49 0.834,50 16.773,51 4.779,52 13.137,53 5.274,54 23.554,56 21.696,57 27.295,59 1.797,60 1,62 1.355,63 2,64 3.026,65 20.522,66 29.175,67 22.055,68 4.956,69 1.315,70 24.495,71 7.229}
{0 CHEMBL50,4 14.586,7 131.36,13 9.691,14 9.691,16 4,18 1,20 -1.919,22 21.991,23 3,25 2,27 1.143,28 1.41,29 249.562,30 0.708,31 12.544,32 1.117,35 1,36 0.381,37 4.645,38 4.645,39 1,40 6.925,41 6.925,42 1,43 18.04,44 3.087,45 19.201,46 3.452,48 25.603,49 0.095,50 16.879,51 4.564,52 13.054,53 5.363,54 23.717,56 21.838,57 27.494,59 1.216,61 1,62 0.99,63 1,64 2.985,65 53.625,66 29.39,67 22.212,68 4.879,69 1.72,70 24.677,71 4.194}
{0 CHEMBL502835,4 29.402,7 101.47,8 102.828,11 0.835,12 11,13 9.445,14 9.445,16 8,17 0.8,20 0.157,21 1,22 44.969,23 2,25 11,27 0.505,28 3.471,29 120.759,30 0.613,31 12.978,32 0.922,33 4.844,34 2.144,35 2,36 0.487,37 4.72,38 4.72,39 1,40 6.989,41 6.989,43 18.243,44 4.543,45 19.344,46 3.799,48 25.837,49 0.831,50 17.097,51 5.043,52 13.397,53 5.35,54 23.96,55 2,56 22.092,57 27.722,58 2,59 1.95,62 1.617,64 3.408,65 37.059,66 29.613,67 22.518,68 5.173,69 3.663,70 24.983,71 5}
{0 CHEMBL503480,4 22.394,7 112.36,8 78.86,11 1.674,12 6,13 8.86,14 8.86,16 7,17 1.181,20 -0.395,22 62.614,23 2,25 1,27 0.568,28 2.059,29 92.349,30 0.575,31 12.329,32 1.226,33 4.844,34 11.771,36 0.326,37 4.554,38 4.554,39 1,40 6.862,41 6.862,42 1,43 17.772,44 3.704,45 18.872,46 3.56,48 25.351,49 0.615,50 16.621,51 4.205,52 12.878,53 5.31,54 23.47,55 2,56 21.595,57 27.239,58 3,59 1.632,61 1,62 1.215,63 5,64 3.588,65 29.992,66 29.132,67 21.985,68 4.543,69 6.301,70 24.435,71 7.337}
{0 CHEMBL504667,4 12.689,7 37.81,13 7.686,14 7.686,16 3,22 17.599,25 2,27 0.194,28 1.514,29 111.868,30 0.239,31 11.999,32 0.794,34 1.899,36 0.116,37 4.301,38 4.301,40 6.192,41 6.192,43 16.384,44 3.273,45 15.598,46 3.748,48 24.087,49 0.218,50 15.364,51 4.043,52 12.552,53 4.964,54 22.316,55 1,56 20.551,57 25.866,59 1.243,62 0.989,64 2.803,65 10.109,66 27.649,67 20.223,68 4.407,69 0.8,70 22.489,71 5.06}
{0 CHEMBL504950,4 8.013,7 92.93,8 18.629,9 1,10 1,13 8.656,14 8.656,15 5.84,16 5,19 1,22 45.328,23 1,24 1.556,25 4,27 0.107,28 1.95,29 83.254,30 0.129,31 12.362,32 0.479,33 4.844,34 3.074,35 1,36 0.117,37 4.796,38 4.796,40 6.978,41 6.978,42 1,43 18.015,44 2.328,45 19.215,46 3.387,48 25.456,49 0.107,50 16.831,51 4.369,52 12.942,53 5.385,54 23.547,55 1,56 21.646,57 27.37,59 1.321,60 1,61 1,62 0.826,63 1,64 2.334,65 11.79,66 29.288,67 22.296,68 4.808,70 24.791,71 5.1}
{0 CHEMBL505637,4 37.458,7 204.3,11 1.058,12 10,13 8.994,14 8.994,16 2,17 1.058,20 -1.637,22 60.606,23 2,25 4,27 1.503,28 4.435,29 333.13,30 1.553,31 12.996,32 1.142,36 0.497,37 4.579,38 4.579,40 6.793,41 6.793,43 18.051,44 4.63,45 18.568,46 6.879,48 25.726,49 0.884,50 16.949,51 4.99,52 13.586,53 5.199,54 23.892,56 22.064,57 27.568,59 1.914,62 1.581,64 3.416,65 52.912,66 29.415,67 22.041,68 5.472,69 3.786,70 24.438,71 5.409}
{0 CHEMBL507146,4 22.707,7 100.38,8 252.603,12 10,13 12.268,14 12.268,16 12,20 3.221,22 53.15,25 14,27 0.41,28 4.459,29 169.228,30 0.416,31 13.58,32 1.027,33 6.279,36 0.05,37 4.933,38 4.933,40 7.418,41 7.418,43 19.436,44 4.661,45 21.566,46 3.841,48 26.719,49 0.83,50 18.198,51 5.727,52 13.846,53 5.605,54 24.775,56 22.839,57 28.67,58 2,59 1.936,62 1.616,63 2,64 3.17,65 15.729,66 30.628,67 23.856,68 5.434,69 1.2,70 26.447,71 5.699}
{0 CHEMBL507529,1 1,4 19.823,6 1,7 85.83,8 57.99,9 1,10 1,12 3,13 9.38,14 9.38,15 5.52,16 8,19 2,20 -0.487,22 20.878,23 2,25 6,26 1.718,27 0.333,28 2.029,29 91.491,30 0.193,31 12.597,32 0.881,33 4.727,34 4.472,35 2,36 0.121,37 4.649,38 4.649,40 6.856,41 6.856,42 1,43 17.849,44 3.791,45 18.899,46 3.801,48 25.5,49 0.425,50 16.714,51 4.625,52 13.087,53 5.252,54 23.625,56 21.756,57 27.381,59 1.636,60 1,61 1,62 1.196,63 3,64 3.101,65 24.963,66 29.266,67 22.122,68 4.844,69 1.96,70 24.559,71 7.301}
{0 CHEMBL507936,4 17.311,7 92.93,10 1,12 1,13 8.751,14 8.751,15 6.286,16 1,19 3,20 -0.293,22 26.391,23 1,25 3,27 0.158,28 1.979,29 91.613,30 0.229,31 12.488,32 0.97,34 4.276,36 0.164,37 4.597,38 4.597,40 6.738,41 6.738,42 1,43 17.508,44 3.639,45 18.303,46 3.797,48 25.183,49 0.536,50 16.398,51 4.533,52 13.059,53 5.221,54 23.329,56 21.484,57 27.044,59 1.628,60 2,61 1,62 1.325,64 2.748,65 19.152,66 28.912,67 21.654,68 4.902,69 2.912,70 24.062,71 5.1}
{0 CHEMBL508139,4 22.749,6 1,7 66.53,8 59.523,12 3,13 8.7,14 8.7,16 9,22 18.93,23 1,25 8,26 1.867,27 0.277,28 2.116,29 64.508,30 0.186,31 12.606,32 1.1,33 4.844,34 4.472,35 1,36 0.089,37 4.692,38 4.692,40 6.846,41 6.846,42 1,43 17.866,44 3.861,45 18.722,46 3.8,48 25.392,49 0.708,50 16.722,51 4.663,52 13.127,53 5.27,54 23.522,56 21.661,57 27.268,58 1,59 1.685,61 1,62 1.228,63 2,64 3.115,65 12.448,66 29.15,67 22.03,68 4.856,69 4.069,70 24.47,71 6.385}
{0 CHEMBL508763,1 1,2 1,3 4,4 16.97,5 1,6 1,7 98.38,8 123.978,9 1,10 1,12 4,13 9.867,14 9.867,15 5.485,16 6,18 1,19 1,20 -0.589,21 1,22 64.701,23 1,24 1.209,25 7,26 1.863,27 0.691,28 2.316,29 100.788,30 0.365,31 12.585,32 0.902,33 5.416,34 18.463,35 1,36 0.266,37 4.625,38 4.625,39 1,40 6.741,41 6.741,42 1,43 17.832,44 3.701,45 18.28,46 3.86,47 1,48 25.447,49 0.557,50 16.705,51 4.595,52 13.12,53 5.296,54 23.583,55 1,56 21.724,57 27.315,58 1,59 1.696,60 1,61 1,62 1.107,63 2,64 3.2,65 25.69,66 29.187,67 21.977,68 4.902,69 2.302,70 24.377,71 7.854}
{0 CHEMBL508928,4 20.473,5 2,6 1,7 115.16,8 175.138,10 1,12 4,13 9.929,14 9.929,15 6.424,16 7,19 3,20 -0.31,21 1,22 29.76,23 1,25 8,26 1.729,27 0.239,28 2.285,29 108.154,30 0.467,31 12.831,32 0.968,33 5.352,34 16.047,36 0.297,37 4.705,38 4.705,40 6.891,41 6.891,42 1,43 18.054,44 3.898,45 19.147,46 3.849,48 25.631,49 0.681,50 16.912,51 4.883,52 13.342,53 5.304,54 23.759,55 1,56 21.894,57 27.512,59 1.814,60 1,61 1,62 1.39,64 2.94,65 22.847,66 29.398,67 22.25,68 5.165,69 2.912,70 24.696,71 5.1}
{0 CHEMBL50894,4 15.369,7 90.71,8 22.559,11 0.324,12 5,13 9.56,14 9.56,16 3,20 -0.126,22 26.598,25 7,27 0.423,28 2.145,29 75.892,30 0.427,31 12.666,32 0.972,33 4.949,34 4.901,35 2,36 0.252,37 4.716,38 4.716,40 6.929,41 6.929,42 1,43 18.084,44 3.062,45 19.279,46 3.636,48 25.568,49 0.259,50 16.916,51 4.844,52 13.131,53 5.341,54 23.681,55 1,56 21.801,57 27.461,59 1.718,61 1,62 1.004,64 3.226,65 43.428,66 29.359,67 22.315,68 4.977,69 4.612,70 24.784,71 5.1}
{0 CHEMBL509032,4 45.937,7 111.31,11 0.8,12 9,13 9.609,14 9.609,16 7,17 0.8,18 1,22 40.495,23 3,25 10,27 0.886,28 4.956,29 128.033,30 0.879,31 12.985,32 1.033,34 4.227,35 1,36 0.513,37 4.948,38 4.948,39 1,40 7.68,41 7.68,43 19.08,44 4.505,45 21.688,46 3.903,48 26.742,49 1.021,50 17.861,51 5.004,52 13.587,53 5.487,54 24.76,55 2,56 22.789,57 28.735,58 2,59 1.912,62 1.519,63 2,64 3.232,65 65.567,66 30.736,67 23.605,68 5.352,69 5.9,70 26.201,71 6.7}
{0 CHEMBL513846,4 14.069,7 90.69,8 102.924,12 2,13 8.239,14 8.239,16 5,22 44.521,24 1.538,25 3,27 0.232,28 2.146,29 76.254,30 0.198,31 12.492,32 0.975,33 5.416,34 26.299,35 1,36 0.12,37 4.684,38 4.684,40 6.912,41 6.912,42 1,43 17.832,44 3.302,45 18.804,46 3.815,47 1,48 25.336,49 0.395,50 16.676,51 4.477,52 13.003,53 5.327,54 23.447,55 1,56 21.567,57 27.233,59 1.473,61 1,62 1.072,63 1,64 2.641,65 10.511,66 29.137,67 22.111,68 4.808,69 0.8,70 24.579,71 5.1}
{0 CHEMBL513909,4 41.796,7 102.93,8 95.957,11 0.86,12 5,13 9.475,14 9.475,16 7,17 0.835,18 1,20 -0.007,22 49.532,23 2,25 9,27 0.654,28 4.01,29 94.861,30 0.768,31 13.025,32 0.805,33 4.443,34 4.227,35 2,36 0.476,37 4.556,38 4.556,39 1,40 7.095,41 7.095,43 18.435,44 4.452,45 20.265,46 3.73,48 25.986,49 1.094,50 17.265,51 5.106,52 13.187,53 5.394,54 24.096,55 3,56 22.215,57 27.884,58 1,59 1.774,62 1.622,63 1,64 3.207,65 36.537,66 29.789,67 22.741,68 4.956,69 3.465,70 25.245,71 9.409}
{0 CHEMBL514040,1 1,2 1,3 3,4 27.25,5 1,6 1,7 140.63,8 155.918,9 1,10 1,11 0.98,12 5,13 9.966,14 9.966,15 5.579,16 9,17 0.86,18 3,19 1,20 -0.583,21 1,22 69.252,23 1,24 1.205,25 10,26 1.831,27 0.62,28 2.663,29 138.887,30 0.478,31 12.782,32 1.085,33 5.416,34 3.503,35 1,36 0.444,37 4.662,38 4.662,39 3,40 6.767,41 6.767,42 1,43 18,44 3.98,45 18.418,46 3.872,47 1,48 25.553,49 0.575,50 16.866,51 4.86,52 13.307,53 5.334,54 23.694,55 1,56 21.841,57 27.417,58 2,59 1.702,60 1,61 1,62 1.48,63 4,64 3.322,65 39.178,66 29.286,67 22.102,68 5.085,69 4.069,70 24.507,71 7.004}
{0 CHEMBL514162,1 1,2 1,3 4,4 24.182,5 1,6 1,7 116.84,8 148.194,9 1,10 1,11 0.86,12 3,13 9.967,14 9.967,15 5.58,16 8,17 0.86,18 3,19 1,20 -0.566,21 1,22 69.567,23 1,24 1.221,25 7,26 1.844,27 0.726,28 2.689,29 146.976,30 0.534,31 12.774,32 1.154,33 5.416,34 3.503,35 1,36 0.473,37 4.662,38 4.662,39 3,40 6.767,41 6.767,42 1,43 18.032,44 4.01,45 18.418,46 3.995,47 1,48 25.611,49 0.575,50 16.899,51 4.836,52 13.271,53 5.335,54 23.751,55 1,56 21.896,57 27.476,58 1,59 1.702,60 1,61 1,62 1.463,63 4,64 3.227,65 37.198,66 29.344,67 22.136,68 5.085,69 2.302,70 24.537,71 8.699}
{0 CHEMBL514371,4 30.106,7 127.63,8 101.765,11 1.181,12 4,13 8.859,14 8.859,16 7,17 1.058,18 1,20 -0.589,22 64.291,23 4,25 3,27 0.602,28 2.221,29 115.67,30 0.566,31 12.416,32 0.932,33 4.844,34 46.863,35 1,36 0.366,37 4.555,38 4.555,39 1,40 6.862,41 6.862,42 1,43 17.779,44 3.904,45 18.872,46 3.583,48 25.365,49 0.694,50 16.631,51 4.369,52 12.974,53 5.312,54 23.488,55 1,56 21.619,57 27.25,58 2,59 1.732,61 1,62 1.433,63 3,64 3.517,65 29.486,66 29.14,67 21.988,68 4.605,69 6.301,70 24.437,71 7.149}
{0 CHEMBL514499,1 1,2 1,3 3,4 26.813,5 1,6 1,7 116.84,8 164.564,9 1,10 1,11 0.98,12 4,13 11.138,14 11.138,15 5.496,16 8,17 0.86,18 3,19 1,20 -0.756,21 1,22 69.252,23 1,24 1.038,25 8,26 1.699,27 1.045,28 2.743,29 152.708,30 0.827,31 12.911,32 1.301,33 5.416,34 3.503,35 1,36 1.206,37 4.662,38 4.662,39 3,40 7.247,41 7.247,43 18.807,44 4.027,45 19.718,46 3.905,47 1,48 26.344,49 0.575,50 17.625,51 4.905,52 13.457,53 5.42,54 24.419,55 1,56 22.501,57 28.275,58 1,59 1.702,60 1,62 1.466,63 4,64 3.322,65 163.495,66 30.211,67 23.025,68 5.223,69 5.335,70 25.504,71 7.9}
{0 CHEMBL514634,1 1,2 1,3 3,4 26.354,5 1,6 1,7 133.91,8 159.107,9 1,10 1,11 0.98,12 6,13 9.976,14 9.976,15 5.601,16 10,17 0.86,18 3,19 1,20 -0.653,21 1,22 74.386,23 1,24 1.194,25 10,26 1.824,27 0.601,28 2.777,29 132.972,30 0.484,31 12.84,32 1.25,33 5.416,34 3.503,35 1,36 0.461,37 4.662,38 4.662,39 3,40 6.767,41 6.767,42 1,43 18.127,44 4.072,45 18.418,46 3.891,47 1,48 25.736,49 0.673,50 16.995,51 4.883,52 13.346,53 5.335,54 23.872,55 1,56 22.013,57 27.604,58 1,59 1.703,60 1,61 1,62 1.507,63 4,64 3.322,65 41.075,66 29.474,67 22.258,68 5.156,69 2.555,70 24.655,71 7.77}
{0 CHEMBL514643,1 1,2 1,3 3,4 28.239,5 1,6 1,7 126.07,8 158.585,9 1,10 1,11 0.86,12 3,13 9.966,14 9.966,15 5.598,16 10,17 0.86,18 4,19 1,20 -0.551,21 1,22 71.31,23 1,24 1.236,25 10,26 1.856,27 0.641,28 2.686,29 118.827,30 0.482,31 12.778,32 1.039,33 5.416,34 3.503,35 1,36 0.531,37 4.662,38 4.662,39 4,40 6.767,41 6.767,42 1,43 17.993,44 3.991,45 18.418,46 3.853,47 1,48 25.548,49 0.597,50 16.859,51 4.868,52 13.261,53 5.334,54 23.689,55 1,56 21.836,57 27.412,58 2,59 1.703,60 1,61 1,62 1.506,63 4,64 3.078,65 41.417,66 29.281,67 22.096,68 5.085,69 2.302,70 24.502,71 7.886}
{0 CHEMBL514826,1 1,2 1,3 3,4 22.733,5 1,6 1,7 140.9,8 164.667,9 1,10 1,11 1.151,12 5,13 11.767,14 11.767,15 5.451,16 6,17 0.98,18 1,19 1,20 -0.813,21 1,22 60.316,23 1,24 0.95,25 11,26 1.553,27 1.125,28 3.179,29 175.021,30 0.785,31 12.928,32 1.271,33 5.416,34 3.503,35 1,36 1.139,37 4.828,38 4.828,39 1,40 7.247,41 7.247,43 19.129,44 4.042,45 19.718,46 3.93,47 1,48 26.657,49 0.673,50 17.936,51 4.898,52 13.713,53 5.42,54 24.715,55 2,56 22.778,57 28.602,58 3,59 1.712,60 1,62 1.439,63 2,64 3.574,65 196.541,66 30.551,67 23.328,68 5.497,69 6.775,70 25.811,71 7.921}
{0 CHEMBL514968,1 1,2 1,3 4,4 23.894,5 1,6 1,7 107.61,8 152.621,9 1,10 1,11 0.98,12 4,13 11.049,14 11.049,15 5.47,16 8,17 0.86,18 2,19 1,20 -0.735,21 1,22 64.009,23 1,24 1.065,25 8,26 1.738,27 0.932,28 2.591,29 141.708,30 0.622,31 12.82,32 1.299,33 5.416,34 3.503,35 1,36 1.066,37 4.637,38 4.637,39 2,40 7.247,41 7.247,43 18.744,44 3.883,45 19.718,46 3.905,47 1,48 26.283,49 0.567,50 17.56,51 4.796,52 13.387,53 5.42,54 24.354,55 1,56 22.431,57 28.218,58 1,59 1.702,60 1,61 1,62 1.439,63 3,64 3.239,65 155.309,66 30.158,67 22.973,68 5.147,69 5.335,70 25.456,71 8.097}
{0 CHEMBL515457,4 30.693,7 127.63,8 110.121,11 1.51,12 4,13 8.863,14 8.863,16 7,17 1.181,18 1,20 -1.334,22 66.397,23 4,25 3,27 0.862,28 2.334,29 122.269,30 0.98,31 12.455,32 1.035,33 4.844,34 23.542,35 1,36 0.774,37 4.554,38 4.554,39 1,40 6.862,41 6.862,42 1,43 17.784,44 3.984,45 18.874,46 3.616,48 25.37,49 0.716,50 16.639,51 4.419,52 12.95,53 5.313,54 23.495,55 1,56 21.628,57 27.254,58 2,59 1.797,62 1.465,63 3,64 3.522,65 88.764,66 29.143,67 21.99,68 4.663,69 6.301,70 24.438,71 7.131}
{0 CHEMBL515982,4 15.73,7 40.46,8 68.456,13 9.467,14 9.467,20 1.389,22 29.833,27 0.351,28 4.947,29 101.134,30 0.301,31 12.788,32 1.088,33 4.844,36 0.163,37 4.658,38 4.658,40 7.92,41 7.92,43 19.501,44 4.549,45 23.407,46 3.683,48 27.022,49 1.053,50 18.22,51 4.635,52 13.034,53 5.657,54 24.986,56 22.96,57 29.065,59 1.852,62 1.514,64 3.051,65 19.71,66 31.114,67 24.314,68 4.732,69 1.36,70 27.017,71 4}
{0 CHEMBL516110,4 31.528,7 112.81,8 260.085,11 0.86,12 2,13 9.129,14 9.129,16 7,17 0.8,20 -0.119,21 1,22 71.427,23 3,24 1.584,25 4,27 0.515,28 3.046,29 66.953,30 0.268,31 12.729,32 1.084,33 5.733,34 13.13,36 0.339,37 4.472,38 4.472,40 6.611,41 6.611,42 1,43 17.71,44 3.986,45 17.497,46 3.887,48 25.293,49 0.843,50 16.608,51 4.787,52 13.048,53 5.21,54 23.463,55 1,56 21.639,57 27.128,58 2,59 1.732,61 1,62 1.469,64 3.24,65 21.092,66 28.967,67 21.665,68 4.82,69 3.534,70 24.017,71 6.276}
{0 CHEMBL516248,1 1,2 1,3 3,4 21.007,5 1,6 1,7 107.61,8 131.703,9 1,10 1,11 0.86,12 5,13 9.866,14 9.866,15 5.555,16 8,18 2,19 1,20 -0.517,21 1,22 60.823,23 1,24 1.282,25 10,26 1.921,27 0.441,28 2.435,29 96.827,30 0.36,31 12.595,32 1.109,33 5.416,34 3.503,35 1,36 0.295,37 4.625,38 4.625,39 2,40 6.741,41 6.741,42 1,43 17.793,44 3.778,45 18.28,46 3.854,47 1,48 25.378,49 0.59,50 16.665,51 4.625,52 13.11,53 5.295,54 23.514,55 1,56 21.657,57 27.246,58 1,59 1.697,60 1,61 1,62 1.247,63 2,64 3.016,65 29.267,66 29.119,67 21.937,68 4.902,69 2.302,70 24.341,71 7.553}
{0 CHEMBL516362,1 1,2 1,3 2,4 25.411,5 1,6 1,7 116.84,8 160.19,9 1,10 1,11 0.86,12 5,13 9.964,14 9.964,15 5.603,16 8,17 0.86,18 3,19 1,20 -0.516,21 1,22 71.136,23 1,24 1.269,25 7,26 1.88,27 0.547,28 2.827,29 107.827,30 0.528,31 12.729,32 0.959,33 5.416,34 3.503,35 1,36 0.376,37 4.662,38 4.662,39 3,40 6.767,41 6.767,42 1,43 17.97,44 3.969,45 18.418,46 3.841,47 1,48 25.525,49 0.659,50 16.834,51 4.796,52 13.205,53 5.332,54 23.662,55 1,56 21.804,57 27.393,58 1,59 1.713,60 1,61 1,62 1.506,63 4,64 3.068,65 36.22,66 29.265,67 22.086,68 4.997,69 1.96,70 24.494,71 7.215}
{0 CHEMBL516429,3 2,4 8.592,7 105.06,8 128.076,12 1,13 9.914,14 9.914,15 6.34,16 3,18 1,19 1,22 59.413,24 1.701,25 5,27 0.226,28 3.045,29 77.468,30 0.257,31 12.621,32 1.03,33 5.416,34 16.019,36 0.112,37 4.527,38 4.527,39 1,40 6.533,41 6.533,42 1,43 17.591,44 3.822,45 17.025,46 3.785,48 25.18,49 0.698,50 16.494,51 4.654,52 13.156,53 5.174,54 23.344,56 21.514,57 27.02,59 1.859,60 1,61 1,62 1.244,64 2.894,65 17.846,66 28.865,67 21.605,68 4.956,69 1.72,70 23.952,71 5}
{0 CHEMBL516582,4 28.617,7 150.69,8 101.68,11 2.03,12 6,13 8.859,14 8.859,16 7,17 1.674,20 -0.938,22 71.482,23 2,25 1,27 0.721,28 2.223,29 128.494,30 0.79,31 12.44,32 1.059,33 4.844,34 11.771,36 0.582,37 4.554,38 4.554,39 2,40 6.862,41 6.862,42 1,43 17.794,44 3.865,45 18.872,46 3.569,48 25.379,49 0.712,50 16.648,51 4.369,52 12.97,53 5.311,54 23.504,55 2,56 21.636,57 27.262,58 3,59 1.754,61 1,62 1.427,63 5,64 3.614,65 47.104,66 29.15,67 21.996,68 4.663,69 6.301,70 24.443,71 6.301}
{0 CHEMBL517956,4 8.809,7 40.46,8 65.313,13 9.466,14 9.466,22 29.182,27 0.349,28 4.951,29 85.367,30 0.295,31 12.753,32 1,33 4.844,36 0.165,37 4.658,38 4.658,40 7.92,41 7.92,43 19.493,44 4.508,45 23.406,46 3.627,48 27.009,49 1.055,50 18.21,51 4.615,52 12.948,53 5.657,54 24.97,56 22.939,57 29.055,59 1.85,62 1.51,64 2.853,65 18.685,66 31.107,67 24.313,68 4.62,70 27.016,71 4}
{0 CHEMBL518060,4 16.783,7 37.3,8 65.313,12 1,13 9.466,14 9.466,16 2,20 0.48,22 29.246,25 3,27 0.325,28 4.399,29 67.828,30 0.266,31 12.753,32 1.01,33 4.844,36 0.14,37 4.666,38 4.666,40 7.92,41 7.92,43 19.493,44 4.423,45 23.406,46 3.649,48 27.009,49 0.986,50 18.21,51 4.615,52 13.012,53 5.659,54 24.97,56 22.939,57 29.055,59 1.839,62 1.479,64 3.066,65 18.685,66 31.107,67 24.313,68 4.677,69 3.677,70 27.016,71 4}
{0 CHEMBL518265,4 19.393,7 129.45,11 0.4,12 4,13 8.267,14 8.267,16 7,22 16.112,25 14,27 0.662,28 1.426,29 135.065,30 0.441,31 12.22,32 0.756,34 1.899,35 1,36 0.426,37 4.364,38 4.364,40 6.231,41 6.231,42 1,43 16.804,44 3.334,45 15.788,46 3.743,48 24.599,49 0.218,50 15.771,51 4.29,52 12.946,53 5.007,54 22.814,55 3,56 21.033,57 26.387,58 2,59 1.671,61 1,62 1.062,64 2.952,65 74.016,66 28.178,67 20.641,68 4.868,69 4.612,70 22.889,71 5.187}
{0 CHEMBL518916,4 23.708,7 82.8,8 68.977,11 0.86,12 2,13 10.263,14 10.263,16 5,17 0.4,18 3,22 33.856,23 2,25 6,27 0.575,28 2.401,29 83.234,30 0.647,31 12.801,32 0.787,33 4.844,34 4.043,35 2,36 0.455,37 4.705,38 4.705,39 3,40 6.894,41 6.894,43 18.179,44 3.962,45 19.033,46 3.891,47 1,48 25.735,49 0.584,50 17.029,51 4.828,52 13.282,53 5.29,54 23.856,55 2,56 21.982,57 27.62,58 4,59 1.64,62 1.479,63 2,64 3.005,65 27.386,66 29.51,67 22.394,68 5.094,69 1.72,70 24.837,71 5.573}
{0 CHEMBL518953,1 1,2 1,3 5,4 16.983,5 1,6 1,7 98.38,8 123.978,9 1,10 1,12 4,13 9.867,14 9.867,15 5.55,16 6,18 1,19 1,20 -0.507,21 1,22 58.635,23 1,24 1.291,25 7,26 1.928,27 0.472,28 2.538,29 85.828,30 0.267,31 12.585,32 1.174,33 5.416,34 3.503,35 1,36 0.217,37 4.625,38 4.625,39 1,40 6.741,41 6.741,42 1,43 17.832,44 3.833,45 18.28,46 3.977,47 1,48 25.447,49 0.557,50 16.705,51 4.595,52 13.12,53 5.296,54 23.583,55 1,56 21.724,57 27.315,58 1,59 1.696,60 1,61 1,62 1.106,63 2,64 3.196,65 23.224,66 29.187,67 21.977,68 4.902,69 2.302,70 24.377,71 7.959}
{0 CHEMBL518956,1 1,2 1,3 5,4 17.551,5 1,6 1,7 98.38,8 123.978,9 1,10 1,12 5,13 9.867,14 9.867,15 5.559,16 6,18 1,19 1,20 -0.495,21 1,22 58.766,23 1,24 1.303,25 8,26 1.938,27 0.353,28 2.403,29 85.828,30 0.19,31 12.585,32 1.268,33 5.416,34 3.503,35 1,36 0.187,37 4.625,38 4.625,39 1,40 6.741,41 6.741,42 1,43 17.832,44 3.818,45 18.28,46 3.861,47 1,48 25.447,49 0.607,50 16.705,51 4.595,52 13.12,53 5.296,54 23.583,55 1,56 21.724,57 27.315,58 1,59 1.696,60 1,61 1,62 1.252,63 2,64 3.084,65 24.411,66 29.187,67 21.977,68 4.902,69 2.302,70 24.377,71 7.921}
{0 CHEMBL518968,2 1,4 28.346,6 1,7 102.85,8 171.35,11 1.058,12 4,13 11.147,14 11.147,16 8,17 0.86,18 3,20 -0.418,21 1,22 69.252,23 1,24 1.125,25 8,26 1.741,27 1.072,28 2.863,29 119.81,30 0.819,31 12.933,32 1.239,33 5.416,34 3.503,35 1,36 1.225,37 4.663,38 4.663,39 3,40 7.247,41 7.247,43 18.817,44 4.106,45 19.718,46 3.905,47 1,48 26.356,49 0.63,50 17.635,51 4.934,52 13.466,53 5.422,54 24.431,55 1,56 22.512,57 28.286,58 1,59 1.73,62 1.505,63 4,64 3.325,65 154.54,66 30.221,67 23.038,68 5.223,69 5.335,70 25.518,71 6}
{0 CHEMBL519120,1 1,2 1,3 4,4 19.152,5 1,6 1,7 98.38,8 129.733,9 1,10 1,12 6,13 9.888,14 9.888,15 5.562,16 6,18 1,19 1,20 -0.52,21 1,22 62.266,23 1,24 1.266,25 7,26 1.874,27 0.441,28 2.597,29 124.976,30 0.257,31 12.644,32 1.278,33 5.416,34 3.503,35 1,36 0.229,37 4.637,38 4.637,39 1,40 6.749,41 6.749,43 17.883,44 3.862,45 18.321,46 3.861,47 1,48 25.47,49 0.607,50 16.753,51 4.673,52 13.175,53 5.306,54 23.607,55 1,56 21.751,57 27.337,58 1,59 1.696,60 1,61 1,62 1.241,63 2,64 3.09,65 25.733,66 29.207,67 22.006,68 4.997,69 2.302,70 24.409,71 8.398}
{0 CHEMBL519224,3 1,4 5.588,7 69.1,8 30.035,9 1,13 8.229,14 8.229,15 5.609,16 3,22 12.313,25 6,27 0.176,28 1.211,29 83.131,30 0.123,31 12.228,32 0.65,33 4.844,34 4.043,35 1,36 0.136,37 4.686,38 4.686,40 6.842,41 6.842,42 1,43 17.7,44 2.887,45 18.677,46 3.313,47 1,48 25.186,49 0.218,50 16.537,51 4.22,52 12.768,53 5.264,54 23.295,55 2,56 21.412,57 27.081,59 1.363,61 1,62 0.848,63 1,64 2.41,65 14.007,66 28.982,67 21.915,68 4.559,70 24.373,71 5}
{0 CHEMBL519225,4 12.138,7 55.11,8 51.316,12 2,13 8.243,14 8.243,16 3,22 17.605,25 6,27 0.232,28 1.786,29 50.234,30 0.181,31 12.448,32 0.876,33 4.844,34 4.043,35 1,36 0.162,37 4.688,38 4.688,40 6.844,41 6.844,42 1,43 17.74,44 3.594,45 18.684,46 3.752,47 1,48 25.237,49 0.596,50 16.587,51 4.511,52 12.943,53 5.266,54 23.357,55 2,56 21.485,57 27.124,59 1.648,61 1,62 1.062,63 1,64 2.592,65 15.352,66 29.017,67 21.94,68 4.691,69 1.315,70 24.392,71 5.824}
{0 CHEMBL519257,4 16.226,7 64.34,8 54.741,13 8.257,14 8.257,16 5,18 1,22 20.314,25 8,27 0.237,28 1.778,29 61.234,30 0.274,31 12.525,32 0.879,33 4.844,34 4.043,35 2,36 0.204,37 4.689,38 4.689,39 1,40 6.844,41 6.844,42 1,43 17.778,44 3.615,45 18.685,46 3.748,47 1,48 25.274,49 0.574,50 16.629,51 4.605,52 13.019,53 5.267,54 23.4,55 2,56 21.535,57 27.156,59 1.639,61 1,62 1.138,63 1,64 2.696,65 17.598,66 29.044,67 21.958,68 4.808,69 1.72,70 24.406,71 6.167}
{0 CHEMBL519286,1 1,2 1,3 1,4 23.926,5 1,6 1,7 129.98,8 218.952,9 1,10 1,11 0.86,12 1,13 9.966,14 9.966,15 5.538,16 10,17 0.86,18 3,19 1,20 -0.554,21 1,22 66.067,23 1,24 1.229,25 7,26 1.846,27 0.755,28 2.336,29 117.335,30 0.592,31 12.719,32 1.022,33 5.733,34 27.045,35 1,36 0.553,37 4.662,38 4.662,39 3,40 6.767,41 6.767,42 1,43 17.975,44 3.836,45 18.418,46 3.833,47 1,48 25.526,49 0.575,50 16.837,51 4.787,52 13.198,53 5.336,54 23.663,55 1,56 21.805,57 27.394,58 1,59 1.653,60 1,61 1,62 1.506,63 5,64 3.076,65 39.364,66 29.266,67 22.087,68 4.997,69 2.302,70 24.495,71 6.721}
{0 CHEMBL519289,1 1,2 1,3 4,4 22.733,5 1,6 1,7 140.9,8 165.298,9 1,10 1,11 1.151,12 4,13 11.736,14 11.736,15 5.45,16 6,17 0.98,18 1,19 1,20 -0.797,21 1,22 60.316,23 1,24 0.978,25 11,26 1.606,27 1.125,28 3.146,29 175.021,30 0.763,31 12.924,32 1.298,33 5.416,34 3.503,35 1,36 1.139,37 4.824,38 4.824,39 1,40 7.247,41 7.247,43 19.125,44 3.97,45 19.718,46 3.93,47 1,48 26.656,49 0.659,50 17.934,51 4.875,52 13.713,53 5.42,54 24.714,55 2,56 22.778,57 28.601,58 3,59 1.719,60 1,62 1.439,63 2,64 3.574,65 196.541,66 30.549,67 23.325,68 5.497,69 6.775,70 25.807,71 6.602}
{0 CHEMBL519375,4 23.708,7 82.8,8 69.615,11 0.86,12 2,13 10.263,14 10.263,16 5,17 0.4,18 3,22 33.856,23 2,25 8,27 0.547,28 2.363,29 83.234,30 0.603,31 12.778,32 0.874,33 4.844,34 4.043,35 2,36 0.455,37 4.691,38 4.691,39 3,40 6.846,41 6.846,43 18.089,44 3.968,45 18.717,46 3.892,47 1,48 25.625,49 0.584,50 16.944,51 4.82,52 13.26,53 5.271,54 23.752,55 2,56 21.887,57 27.504,58 4,59 1.637,62 1.478,63 2,64 2.919,65 27.366,66 29.388,67 22.267,68 5.094,69 1.72,70 24.7,71 7.155}
{0 CHEMBL519697,4 21.854,6 1,7 91.02,8 74.591,11 1.058,12 5,13 9.991,14 9.991,16 8,17 0.555,20 -0.142,22 37.397,25 12,26 1.809,27 0.547,28 2.841,29 98.135,30 0.355,31 12.691,32 1.049,33 4.844,34 2.144,36 0.275,37 4.637,38 4.637,40 6.708,41 6.708,42 1,43 17.92,44 4.049,45 18.087,46 3.778,47 1,48 25.535,49 0.825,50 16.797,51 4.7,52 13.206,53 5.205,54 23.68,55 2,56 21.83,57 27.395,58 1,59 1.807,61 1,62 1.376,63 3,64 3.582,65 24.965,66 29.26,67 21.932,68 4.977,69 4.069,70 24.325,71 5.1}
{0 CHEMBL519715,4 22.064,7 82.8,8 67.273,11 0.86,12 2,13 10.263,14 10.263,16 5,17 0.4,18 3,22 30.801,23 2,25 8,27 0.497,28 2.094,29 83.234,30 0.551,31 12.734,32 0.792,33 4.844,34 4.043,35 2,36 0.414,37 4.689,38 4.689,39 3,40 6.844,41 6.844,42 1,43 18.064,44 3.888,45 18.685,46 3.751,47 1,48 25.609,49 0.584,50 16.918,51 4.771,52 13.21,53 5.268,54 23.733,55 2,56 21.865,57 27.489,58 4,59 1.641,61 1,62 1.479,63 2,64 2.737,65 26.74,66 29.375,67 22.254,68 5.007,69 1.72,70 24.688,71 7.398}
{0 CHEMBL519858,4 24.275,6 1,7 42.74,8 59.312,12 3,13 8.711,14 8.711,16 8,22 22.115,23 1,25 6,26 2.019,27 0.301,28 2.231,29 33.449,30 0.192,31 12.638,32 1.268,33 4.844,34 4.472,35 1,36 0.133,37 4.694,38 4.694,40 6.848,41 6.848,43 17.902,44 4,45 18.747,46 3.81,48 25.405,49 0.727,50 16.757,51 4.691,52 13.12,53 5.274,54 23.536,56 21.676,57 27.28,59 1.696,62 1.362,63 2,64 2.873,65 18.133,66 29.162,67 22.043,68 4.956,69 1.315,70 24.485,71 6.827}
{0 CHEMBL519880,4 23.355,7 99.87,8 86.881,11 0.86,12 7,13 10.263,14 10.263,16 7,17 0.4,18 3,20 -0.056,22 42.305,23 2,25 12,27 0.614,28 2.764,29 108.379,30 0.646,31 12.974,32 0.989,33 4.844,34 4.043,35 2,36 0.422,37 4.693,38 4.693,39 3,40 6.848,41 6.848,43 18.247,44 4.248,45 18.751,46 3.89,47 1,48 25.832,49 0.629,50 17.11,51 5.024,52 13.456,53 5.28,54 23.963,55 2,56 22.1,57 27.706,58 6,59 1.898,62 1.523,63 2,64 3.281,65 30.753,66 29.584,67 22.414,68 5.239,69 1.72,70 24.837,71 6.387}
{0 CHEMBL519881,4 28.534,7 92.03,8 84.328,11 0.86,12 6,13 10.263,14 10.263,16 9,17 0.86,18 4,22 41.287,23 2,25 12,27 0.589,28 2.593,29 94.234,30 0.604,31 12.91,32 0.875,33 4.844,34 4.043,35 2,36 0.43,37 4.692,38 4.692,39 4,40 6.846,41 6.846,43 18.123,44 4.206,45 18.724,46 3.854,47 1,48 25.663,49 0.623,50 16.984,51 4.984,52 13.37,53 5.273,54 23.797,55 2,56 21.938,57 27.537,58 5,59 1.897,62 1.522,63 2,64 3.065,65 30.42,66 29.416,67 22.288,68 5.173,69 1.72,70 24.718,71 6.301}
{0 CHEMBL520037,4 26.519,7 82.8,8 77.274,11 0.86,12 2,13 11.341,14 11.341,16 5,17 0.86,18 3,22 33.986,23 2,25 8,27 1.075,28 2.271,29 128.114,30 1.107,31 12.902,32 1.071,33 4.844,34 4.043,35 2,36 1.219,37 4.696,38 4.696,39 3,40 7.12,41 7.12,43 18.729,44 3.973,45 19.123,46 3.831,47 1,48 26.258,49 0.584,50 17.555,51 4.913,52 13.444,53 5.309,54 24.342,55 2,56 22.433,57 28.178,58 4,59 1.655,62 1.486,63 2,64 3.284,65 153.551,66 30.102,67 22.887,68 5.231,69 5.335,70 25.341,71 7.523}
{0 CHEMBL520080,1 1,2 1,3 3,4 21.773,5 1,6 1,7 116.84,8 143.05,9 1,10 1,11 0.86,12 4,13 9.966,14 9.966,15 5.616,16 8,17 0.86,18 3,19 1,20 -0.483,21 1,22 75.554,23 1,24 1.302,25 8,26 1.905,27 0.644,28 3.267,29 107.827,30 0.42,31 12.724,32 1.169,33 5.416,34 3.503,35 1,36 0.373,37 4.662,38 4.662,39 3,40 6.767,41 6.767,42 1,43 17.973,44 4.048,45 18.418,46 3.734,47 1,48 25.525,49 0.74,50 16.835,51 4.804,52 13.134,53 5.334,54 23.662,55 1,56 21.804,57 27.394,58 1,59 1.704,60 1,61 1,62 1.506,63 4,64 3.07,65 36.346,66 29.266,67 22.087,68 4.945,69 1.96,70 24.495,71 7.77}
{0 CHEMBL520284,2 1,4 23.988,6 1,7 128.21,8 263.209,11 0.86,12 8,13 11.167,14 11.167,16 8,17 0.86,18 3,21 1,22 66.876,24 1.277,25 9,26 1.808,27 1.035,28 2.948,29 144.532,30 0.84,31 13.002,32 1.336,33 5.733,34 3.503,35 1,36 1.246,37 4.665,38 4.665,39 3,40 7.247,41 7.247,43 18.837,44 4.087,45 19.719,46 3.905,47 1,48 26.373,49 0.575,50 17.656,51 5.03,52 13.506,53 5.429,54 24.449,55 3,56 22.531,57 28.303,58 2,59 1.67,62 1.506,63 5,64 3.222,65 151.317,66 30.238,67 23.064,68 5.231,69 5.335,70 25.543,71 7.137}
{0 CHEMBL520692,4 20.47,7 67.58,8 70.662,11 0.4,13 8.257,14 8.257,16 5,18 1,22 27.012,25 8,27 0.286,28 1.97,29 61.234,30 0.287,31 12.579,32 0.885,33 4.844,34 4.043,35 2,36 0.268,37 4.689,38 4.689,39 1,40 6.844,41 6.844,42 1,43 17.784,44 3.913,45 18.685,46 3.749,47 1,48 25.281,49 0.697,50 16.637,51 4.682,52 13.048,53 5.27,54 23.41,55 2,56 21.548,57 27.161,59 1.859,61 1,62 1.296,63 1,64 2.735,65 23.479,66 29.048,67 21.961,68 4.856,69 1.72,70 24.408,71 6.42}
{0 CHEMBL521204,4 19.145,7 73.57,8 61.007,11 0.4,12 1,13 9.144,14 9.144,16 5,18 2,22 25.557,23 1,25 9,27 0.336,28 1.923,29 72.234,30 0.403,31 12.626,32 0.875,33 4.844,34 4.043,35 2,36 0.304,37 4.689,38 4.689,39 2,40 6.844,41 6.844,42 1,43 17.894,44 3.734,45 18.685,46 3.75,47 1,48 25.425,49 0.575,50 16.751,51 4.682,52 13.118,53 5.268,54 23.556,55 2,56 21.694,57 27.301,58 2,59 1.641,61 1,62 1.278,63 1,64 2.734,65 21.846,66 29.183,67 22.062,68 4.913,69 1.72,70 24.496,71 7.046}
{0 CHEMBL521734,4 21.745,7 76.88,12 2,13 10.042,14 10.042,16 6,20 -0.12,22 40.338,25 11,27 0.339,28 2.323,29 83.493,30 0.259,31 12.742,32 1.047,33 6.107,34 33.203,36 0.187,37 4.514,38 4.514,40 6.658,41 6.658,42 1,43 17.843,44 3.867,45 17.917,46 3.765,48 25.476,49 0.825,50 16.736,51 4.736,52 13.092,53 5.201,54 23.631,55 2,56 21.791,57 27.326,59 1.623,61 1,62 1.369,63 1,64 3.06,65 18.062,66 29.18,67 21.87,68 4.913,69 2.117,70 24.246,71 4.602}
{0 CHEMBL521761,4 13.1,7 50.95,8 55.522,12 5,13 8.694,14 8.694,16 4,22 22.051,25 6,27 0.196,28 1.942,29 46.116,30 0.163,31 12.459,32 0.94,33 4.727,34 7.164,35 2,36 0.089,37 4.611,38 4.611,40 6.719,41 6.719,43 17.522,44 3.679,45 18.077,46 3.782,48 25.148,49 0.613,50 16.406,51 4.522,52 12.958,53 5.208,54 23.293,56 21.446,57 27.009,59 1.634,61 1,62 1.126,63 1,64 2.667,65 14,66 28.875,67 21.681,68 4.745,69 1.315,70 24.085,71 5.932}
{0 CHEMBL521806,1 1,2 1,3 4,4 24.988,5 1,6 1,7 116.84,8 154.981,9 1,10 1,11 0.86,12 3,13 10.086,14 10.086,15 5.626,16 9,17 0.86,18 3,19 1,20 -0.568,21 1,22 64.975,23 1,24 1.223,25 7,26 1.849,27 0.689,28 2.831,29 146.976,30 0.64,31 12.842,32 1.146,33 5.416,34 3.503,35 1,36 0.441,37 4.663,38 4.663,39 3,40 6.768,41 6.768,43 18.14,44 4.081,45 18.424,46 3.996,47 1,48 25.735,49 0.641,50 17.006,51 4.89,52 13.313,53 5.34,54 23.871,55 1,56 22.012,57 27.603,58 1,59 1.704,60 1,62 1.506,63 4,64 3.321,65 37.864,66 29.474,67 22.254,68 5.121,69 2.302,70 24.655,71 7.523}
{0 CHEMBL521851,4 24.599,7 144.17,8 149.966,11 0.8,12 2,13 11.247,14 11.247,16 4,17 0.4,22 72.009,24 1.727,25 11,27 0.565,28 4.686,29 105.547,30 0.442,31 13.028,32 1.125,33 5.352,34 6.576,35 2,36 0.636,37 4.743,38 4.743,39 1,40 7.111,41 7.111,43 18.719,44 4.342,45 18.927,46 4.056,48 26.27,49 0.869,50 17.552,51 5.142,52 13.606,53 5.389,54 24.358,55 5,56 22.451,57 28.188,58 2,59 1.8,62 1.508,63 1,64 3.098,65 59.844,66 30.109,67 22.894,68 5.421,69 1.776,70 25.342,71 5}
{0 CHEMBL521887,4 22.6,7 48.47,11 0.8,12 3,13 8.998,14 8.998,16 4,17 0.172,20 -0.094,22 39.064,25 6,27 0.262,28 3.357,29 41.93,30 0.312,31 12.68,32 0.966,36 0.254,37 4.49,38 4.49,40 6.502,41 6.502,43 17.404,44 4.192,45 16.923,46 3.816,48 25.117,49 0.825,50 16.338,51 4.779,52 13.144,53 5.146,54 23.303,56 21.497,57 26.936,59 1.927,61 1,62 1.476,64 3.044,65 22.894,66 28.759,67 21.375,68 4.987,69 2.117,70 23.696,71 4.602}
{0 CHEMBL522011,2 1,4 12.649,6 2,7 60.56,8 72.041,12 1,13 10.395,14 10.395,16 2,22 15.989,23 2,25 4,26 4.014,27 0.314,28 1.905,29 50.357,30 0.149,31 12.771,32 0.671,33 5.476,34 4.472,35 1,36 0.238,37 4.853,38 4.853,40 7.083,41 7.083,42 1,43 18.47,44 3.581,45 19.989,46 3.611,47 2,48 25.904,49 0.602,50 17.273,51 4.828,52 13.238,53 5.424,54 23.99,55 3,56 22.083,57 27.822,59 1.699,61 1,62 1.13,63 3,64 2.509,65 14.298,66 29.745,67 22.755,68 5.007,69 0.8,70 25.263,71 4.921}
{0 CHEMBL522125,3 1,4 23.302,7 97.28,8 65.767,10 1,11 0.657,12 8,13 8.698,14 8.698,15 5.305,16 8,20 -0.256,22 34.305,23 1,25 6,27 0.46,28 2.863,29 104.158,30 0.455,31 12.548,32 1.004,33 4.727,34 7.164,35 2,36 0.196,37 4.587,38 4.587,40 6.722,41 6.722,42 1,43 17.563,44 4.013,45 18.127,46 3.719,48 25.182,49 0.837,50 16.449,51 4.635,52 12.904,53 5.211,54 23.331,56 21.488,57 27.04,59 1.788,61 1,62 1.407,63 3,64 3.119,65 30.553,66 28.904,67 21.712,68 4.718,69 3.272,70 24.115,71 5.126}
{0 CHEMBL522392,4 21.052,6 1,7 42.74,8 56.97,12 3,13 8.698,14 8.698,16 8,22 24.865,23 1,25 5,26 1.758,27 0.342,28 2.042,29 48.409,30 0.209,31 12.579,32 0.916,33 4.844,34 19.432,35 1,36 0.066,37 4.691,38 4.691,40 6.846,41 6.846,43 17.856,44 3.769,45 18.717,46 3.783,48 25.378,49 0.706,50 16.711,51 4.625,52 13.06,53 5.269,54 23.507,56 21.644,57 27.256,59 1.682,61 1,62 1.105,63 2,64 2.93,65 16.029,66 29.14,67 22.021,68 4.856,69 1.315,70 24.463,71 6.333}
{0 CHEMBL522579,4 14.796,7 68.02,8 78.097,12 5,13 9.236,14 9.236,16 5,20 0.004,22 38.927,25 8,27 0.205,28 2.061,29 67.978,30 0.262,31 12.56,32 1.016,33 5.778,36 0.211,37 4.51,38 4.51,40 6.66,41 6.66,42 1,43 17.606,44 3.828,45 17.753,46 3.748,48 25.273,49 0.733,50 16.507,51 4.511,52 13.038,53 5.181,54 23.432,55 2,56 21.598,57 27.118,59 1.635,61 1,62 1.368,64 2.913,65 19.745,66 28.968,67 21.66,68 4.89,69 2.117,70 24.03,71 4.602}
{0 CHEMBL522618,4 17.275,7 69.41,8 117.072,11 0.532,12 4,13 9.224,14 9.224,16 6,18 2,22 36.002,25 10,27 0.314,28 2.072,29 68.116,30 0.35,31 12.659,32 0.94,33 5.352,34 30.706,35 2,36 0.308,37 4.62,38 4.62,39 2,40 6.726,41 6.726,42 1,43 17.734,44 3.696,45 18.153,46 3.829,48 25.345,49 0.579,50 16.619,51 4.736,52 13.089,53 5.222,54 23.493,55 1,56 21.647,57 27.203,58 2,59 1.634,61 1,62 1.162,63 1,64 3.077,65 19.855,66 29.064,67 21.853,68 4.856,69 2.783,70 24.245,71 6.67}
{0 CHEMBL522709,1 1,2 1,3 3,4 24.699,5 1,6 1,7 107.61,8 159.078,9 1,10 1,11 0.98,12 5,13 11.075,14 11.075,15 5.52,16 9,17 0.86,18 2,19 1,20 -0.741,21 1,22 59.417,23 1,24 1.061,25 8,26 1.732,27 0.886,28 2.819,29 141.708,30 0.764,31 12.895,32 1.264,33 5.416,34 3.503,35 1,36 1.048,37 4.641,38 4.641,39 2,40 7.279,41 7.279,43 18.826,44 4.015,45 20.104,46 3.915,47 1,48 26.358,49 0.64,50 17.639,51 4.86,52 13.425,53 5.456,54 24.428,55 1,56 22.505,57 28.294,58 1,59 1.7,60 1,62 1.44,63 3,64 3.267,65 156.083,66 30.235,67 23.074,68 5.182,69 5.335,70 25.569,71 8.523}
{0 CHEMBL522892,4 24.416,7 94.04,8 55.207,10 2,11 0.8,12 1,13 10.011,14 10.011,15 6.201,16 5,19 2,20 -0.168,22 43.506,23 4,25 2,27 0.681,28 2.758,29 89.788,30 0.377,31 12.897,32 0.818,33 4.727,34 17.104,35 1,36 0.281,37 4.69,38 4.69,40 6.995,41 6.995,42 1,43 18.295,44 3.765,45 19.431,46 3.701,47 1,48 25.857,49 0.724,50 17.137,51 4.997,52 13.28,53 5.36,54 23.969,56 22.088,57 27.751,59 1.735,61 1,62 1.376,63 2,64 3.178,65 20.524,66 29.651,67 22.539,68 5.056,69 2.117,70 25.002,71 5.05}
{0 CHEMBL523233,4 23.738,6 1,7 51.97,8 61.052,12 3,13 8.695,14 8.695,16 10,18 1,22 20.988,23 1,25 8,26 1.949,27 0.301,28 2.123,29 44.448,30 0.218,31 12.596,32 0.92,33 4.844,34 4.472,35 1,36 0.151,37 4.689,38 4.689,39 1,40 6.844,41 6.844,42 1,43 17.851,44 3.831,45 18.689,46 3.781,48 25.384,49 0.709,50 16.707,51 4.663,52 13.072,53 5.268,54 23.515,56 21.654,57 27.26,58 1,59 1.69,61 1,62 1.253,63 2,64 2.859,65 20.234,66 29.142,67 22.016,68 4.856,69 1.72,70 24.455,71 6.153}
{0 CHEMBL523286,4 12.276,7 50.95,8 54.722,12 4,13 8.696,14 8.696,16 4,22 22.366,25 6,27 0.206,28 1.947,29 85.265,30 0.183,31 12.467,32 0.957,33 4.727,34 7.164,35 2,36 0.071,37 4.613,38 4.613,40 6.722,41 6.722,43 17.54,44 3.644,45 18.119,46 3.841,48 25.157,49 0.3,50 16.423,51 4.522,52 12.96,53 5.211,54 23.302,56 21.454,57 27.018,59 1.634,62 1.062,63 1,64 2.909,65 12.042,66 28.885,67 21.697,68 4.745,69 1.315,70 24.103,71 6.204}
{0 CHEMBL523423,4 21.85,6 1,7 42.74,8 57.77,12 4,13 8.695,14 8.695,16 8,22 18.93,23 1,25 6,26 1.99,27 0.293,28 2.156,29 33.449,30 0.209,31 12.572,32 0.976,33 4.844,34 4.472,35 1,36 0.121,37 4.689,38 4.689,40 6.844,41 6.844,43 17.843,44 3.856,45 18.688,46 3.785,48 25.371,49 0.735,50 16.698,51 4.625,52 13.059,53 5.268,54 23.5,56 21.637,57 27.249,59 1.694,62 1.181,63 2,64 2.74,65 16.924,66 29.132,67 22.01,68 4.856,69 1.315,70 24.451,71 5.344}
{0 CHEMBL523487,4 18.958,7 119.83,8 114.424,11 1.2,12 4,13 11.341,14 11.341,16 5,17 0.293,20 -0.619,22 55.025,24 0.543,25 9,27 1.463,28 2.287,29 146.146,30 0.712,31 12.717,32 0.689,33 5.352,34 0.746,36 1.124,37 4.815,38 4.815,40 7.152,41 7.152,42 1,43 18.779,44 3.055,45 19.701,46 3.671,48 26.267,49 0.305,50 17.584,51 4.718,52 13.331,53 5.459,54 24.339,55 2,56 22.416,57 28.198,58 4,59 1.724,61 1,62 0.995,63 3,64 3.747,65 214.828,66 30.133,67 22.928,68 5.165,69 5.825,70 25.409,71 4.252}
{0 CHEMBL523559,4 25.251,7 80.49,8 108.377,11 0.8,12 8,13 9.246,14 9.246,16 7,20 -0.138,22 52.768,23 1,25 9,27 0.257,28 3.021,29 78.978,30 0.415,31 12.787,32 0.91,33 4.595,36 0.315,37 4.51,38 4.51,39 1,40 6.66,41 6.66,43 17.735,44 4.192,45 17.753,46 3.833,48 25.442,49 0.825,50 16.643,51 4.836,52 13.23,53 5.248,54 23.606,55 2,56 21.775,57 27.284,58 1,59 1.838,62 1.48,64 3.129,65 27.984,66 29.129,67 21.809,68 5.037,69 2.117,70 24.168,71 4.602}
{0 CHEMBL523634,4 13.1,7 79.19,8 111.743,12 4,13 8.798,14 8.798,16 4,22 53.328,24 1.672,25 5,27 0.19,28 2.095,29 46.116,30 0.146,31 12.493,32 0.753,33 5.352,34 30.706,35 2,36 0.082,37 4.637,38 4.637,40 6.801,41 6.801,43 17.712,44 3.605,45 18.565,46 3.841,48 25.331,49 0.578,50 16.581,51 4.489,52 12.989,53 5.275,54 23.463,56 21.601,57 27.205,59 1.634,61 1,62 1.105,63 1,64 2.788,65 12.462,66 29.084,67 21.914,68 4.745,69 1.315,70 24.339,71 6.108}
{0 CHEMBL523823,4 17.229,7 88.49,8 30.046,13 9.496,14 9.496,16 8,20 -0.458,21 1,22 23.421,23 2,25 2,27 0.727,28 1.639,29 178.991,30 0.738,31 12.619,32 0.244,33 4.727,34 2.328,35 2,36 0.402,37 4.701,38 4.701,40 7.108,41 7.108,42 1,43 18.392,44 2.457,45 20.302,46 3.37,48 25.843,49 0.102,50 17.191,51 4.625,52 12.964,53 5.414,54 23.929,55 1,56 22.021,57 27.762,59 1.45,61 1,62 0.825,63 3,64 3.06,65 35.228,66 29.687,67 22.689,68 4.732,69 1.2,70 25.213,71 5.076}
{0 CHEMBL52387,2 1,4 24.833,6 1,7 87.89,8 59.154,12 2,13 8.354,14 8.354,16 2,22 15.912,23 3,26 2.024,27 0.425,28 1.679,29 93.04,30 0.429,31 12.441,32 1.038,33 4.727,34 4.227,35 3,36 0.304,37 4.656,38 4.656,40 6.805,41 6.805,42 1,43 17.657,44 3.969,45 18.537,46 3.6,47 1,48 25.215,49 0.688,50 16.516,51 4.522,52 12.872,53 5.24,54 23.346,55 3,56 21.485,57 27.091,59 1.814,61 1,62 1.413,63 1,64 2.769,65 27.887,66 28.973,67 21.84,68 4.677,69 1.315,70 24.277,71 5.1}
{0 CHEMBL524266,3 1,4 12.934,7 96.69,8 36.087,13 8.905,14 8.905,15 5.555,16 3,19 1,20 -0.153,22 31.17,23 1,25 2,27 0.485,28 1.631,29 106.573,30 0.431,31 12.339,32 1.005,33 4.727,34 22.373,35 1,36 0.32,37 4.536,38 4.536,40 6.734,41 6.734,42 1,43 17.604,44 3.059,45 18.156,46 3.411,48 25.131,49 0.414,50 16.464,51 4.407,52 12.685,53 5.264,54 23.266,55 1,56 21.408,57 27.001,58 1,59 1.571,61 1,62 1.092,64 2.802,65 39.765,66 28.876,67 21.71,68 4.46,69 2.117,70 24.128,71 6.241}
{0 CHEMBL525191,4 10.747,6 1,7 83.53,8 119.434,12 4,13 10.25,14 10.25,16 7,20 0.742,22 28.616,23 1,25 9,26 1.763,27 0.239,28 2.179,29 132.185,30 0.158,31 12.61,32 0.916,33 5.416,34 11.771,36 0.141,37 4.565,38 4.565,40 6.739,41 6.739,42 1,43 17.849,44 3.849,45 18.255,46 3.67,48 25.425,49 0.61,50 16.714,51 4.691,52 12.987,53 5.227,54 23.553,56 21.688,57 27.3,58 1,59 1.731,61 1,62 1.214,64 3.053,65 19.042,66 29.18,67 22.043,68 4.677,69 3.737,70 24.456,71 5}
{0 CHEMBL525203,4 23.681,7 98.23,8 89.917,11 0.791,12 7,13 9.194,14 9.194,16 7,17 0.6,20 0.05,21 1,22 36.546,23 2,25 11,27 0.764,28 2.6,29 120.759,30 0.54,31 12.864,32 0.923,33 4.844,34 6.42,35 2,36 0.52,37 4.72,38 4.72,39 1,40 6.989,41 6.989,43 18.19,44 4.398,45 19.344,46 3.792,48 25.783,49 0.764,50 17.041,51 4.92,52 13.353,53 5.324,54 23.904,55 4,56 22.033,57 27.67,58 1,59 1.857,62 1.606,64 3.408,65 35.338,66 29.563,67 22.471,68 5.139,69 3.42,70 24.941,71 5}
{0 CHEMBL525907,4 19.424,6 1,7 42.74,8 54.628,12 3,13 8.694,14 8.694,16 8,22 15.744,23 1,25 6,26 1.977,27 0.277,28 2.028,29 33.449,30 0.185,31 12.525,32 0.926,33 4.844,34 4.472,35 1,36 0.108,37 4.688,38 4.688,40 6.844,41 6.844,42 1,43 17.825,44 3.774,45 18.685,46 3.752,48 25.357,49 0.708,50 16.677,51 4.564,52 12.999,53 5.266,54 23.483,56 21.616,57 27.238,59 1.682,61 1,62 1.105,63 2,64 2.672,65 15.979,66 29.123,67 22.005,68 4.745,69 1.315,70 24.447,71 5.886}
{0 CHEMBL525911,4 26.438,5 1,6 1,7 85.83,8 70.358,12 6,13 8.729,14 8.729,15 5.3,16 9,19 1,20 -0.337,22 32.204,23 1,25 6,26 1.865,27 0.359,28 2.619,29 130.639,30 0.441,31 12.711,32 1.08,33 4.844,34 4.472,35 1,36 0.127,37 4.694,38 4.694,40 6.848,41 6.848,43 17.921,44 4.136,45 18.752,46 3.845,48 25.425,49 0.834,50 16.779,51 4.796,52 13.182,53 5.274,54 23.56,56 21.704,57 27.298,59 1.782,60 1,61 1,62 1.35,63 2,64 3.122,65 28.657,66 29.177,67 22.056,68 5.037,69 3.272,70 24.496,71 7.495}
{0 CHEMBL526133,4 10.63,7 74.43,8 48.187,12 2,13 9.189,14 9.189,16 3,20 1.039,22 20.878,25 4,27 0.154,28 1.646,29 58.593,30 0.172,31 12.351,32 0.825,33 4.595,34 6.42,36 0.164,37 4.485,38 4.485,40 6.349,41 6.349,42 1,43 17.159,44 3.306,45 16.375,46 3.644,48 24.811,49 0.291,50 16.082,51 4.443,52 12.901,53 5.112,54 22.996,55 1,56 21.184,57 26.63,58 1,59 1.63,61 1,62 1.062,64 2.836,65 17.388,66 28.451,67 21.098,68 4.649,69 2.985,70 23.405,71 5.1}
{0 CHEMBL526639,4 9.945,7 41.99,12 1,13 9.059,14 9.059,16 3,20 0.024,22 27.662,25 4,27 0.145,28 1.946,29 41.93,30 0.201,31 12.417,32 1.046,33 5.416,36 0.122,37 4.498,38 4.498,40 6.517,41 6.517,42 1,43 17.351,44 3.653,45 16.984,46 3.73,48 25.033,49 0.616,50 16.266,51 4.431,52 12.926,53 5.133,54 23.206,56 21.383,57 26.865,59 1.512,61 1,62 1.191,64 2.81,65 14.31,66 28.7,67 21.341,68 4.783,69 2.117,70 23.674,71 4.602}
{0 CHEMBL526709,4 17.968,7 70.07,13 7.708,14 7.708,16 3,22 13.355,25 2,27 0.147,28 1.408,29 76.254,30 0.251,31 12.045,32 0.94,34 1.899,35 1,36 0.127,37 4.306,38 4.306,40 6.198,41 6.198,42 1,43 16.426,44 3.418,45 15.638,46 3.647,48 24.135,49 0.224,50 15.405,51 4.111,52 12.573,53 4.977,54 22.364,55 1,56 20.6,57 25.912,59 1.563,61 1,62 1.039,64 2.598,65 15.257,66 27.694,67 20.272,68 4.407,69 0.8,70 22.534,71 4.863}
{0 CHEMBL535,4 25.99,7 80.99,8 154.273,11 0.8,12 2,13 10.905,14 10.905,16 4,20 -0.06,22 47.966,23 1,25 3,27 0.334,28 2.045,29 65.25,30 0.404,31 12.673,32 0.956,33 5.533,34 20.474,35 1,36 0.257,37 4.619,38 4.619,40 6.845,41 6.845,42 1,43 18.192,44 3.978,45 18.419,46 3.619,48 25.702,49 0.87,50 17.035,51 4.564,52 13.132,53 5.284,54 23.814,56 21.933,57 27.595,59 1.83,61 1,62 1.575,64 2.996,65 28.708,66 29.493,67 22.35,68 4.924,69 2.117,70 24.79,71 5}
{0 CHEMBL535331,4 5.093,7 68.86,8 83.254,12 1,13 9.472,14 9.472,16 2,22 14.09,23 1,25 3,27 0.147,28 1.458,29 33.449,30 0.136,31 12.265,32 0.938,33 5.416,34 16.059,36 0.108,37 4.532,38 4.532,40 6.526,41 6.526,42 1,43 17.298,44 3.049,45 16.913,46 3.436,47 1,48 24.892,49 0.326,50 16.202,51 4.205,52 12.911,53 5.104,54 23.049,56 21.211,57 26.739,59 1.67,61 1,62 1.061,64 2.357,65 10.142,66 28.589,67 21.338,68 4.691,70 23.682,71 5.1}
{0 CHEMBL536151,4 20.187,7 49.33,11 1.058,13 11.446,14 11.446,16 1,20 -1.118,22 20.519,23 1,25 1,27 2.03,28 1.446,29 196.738,30 1.274,31 12.43,32 1.199,36 1.533,37 4.568,38 4.568,40 7.183,41 7.183,43 18.837,44 3.206,45 19.271,46 3.493,48 26.358,49 0.183,50 17.645,51 4.263,52 13.162,53 5.291,54 24.416,56 22.477,57 28.304,59 1.518,61 1,62 0.928,64 3.611,65 281.575,66 30.253,67 22.938,68 4.956,69 5.335,70 25.407,71 5.1}
{0 CHEMBL539474,4 22.608,6 1,7 57.58,8 87.049,11 0.736,12 2,13 8.832,14 8.832,16 7,17 0.079,20 0.117,22 30.146,25 6,26 1.888,27 0.316,28 1.851,29 50.29,30 0.281,31 12.493,32 1,33 5.283,34 14.528,35 1,36 0.195,37 4.58,38 4.58,40 6.819,41 6.819,42 1,43 17.791,44 3.134,45 18.799,46 3.623,48 25.34,49 0.625,50 16.648,51 4.522,52 12.834,53 5.264,54 23.47,55 1,56 21.606,57 27.216,58 1,59 1.632,61 1,62 1.094,64 3.045,65 15.071,66 29.097,67 21.943,68 4.59,69 3.352,70 24.381,71 7.1}
{0 CHEMBL549730,4 14.61,7 78.07,12 2,13 11.24,14 11.24,16 6,20 0.294,22 8.27,23 2,25 3,27 0.424,28 0.973,29 135.723,30 0.512,31 12.258,32 0.774,36 0.073,37 4.686,38 4.686,40 7.079,41 7.079,42 1,43 18.598,44 3.405,45 19.749,46 3.605,48 26.033,49 0.469,50 17.406,51 3.97,52 12.957,53 5.365,54 24.095,56 22.161,57 27.974,59 1.5,61 1,62 1.062,63 1,64 2.669,65 18.653,66 29.917,67 22.669,68 4.527,69 1.2,70 25.155,71 5.679}
{0 CHEMBL550338,1 1,3 2,4 22.743,5 1,7 133.72,8 187.318,10 1,11 0.98,12 5,13 10.291,14 10.291,15 5.468,16 3,17 0.4,18 1,19 1,20 -0.715,22 90.8,23 1,24 2.473,25 4,27 0.786,28 3.108,29 130.708,30 0.504,31 12.681,32 1.227,33 5.352,34 4.075,36 0.909,37 4.537,38 4.537,39 1,40 7.247,41 7.247,43 18.568,44 3.998,45 19.718,46 3.906,48 26.11,49 0.558,50 17.387,51 4.625,52 13.248,53 5.433,54 24.181,56 22.26,57 28.047,58 1,59 1.612,60 1,62 1.405,63 1,64 3.052,65 146.686,66 29.989,67 22.771,68 4.977,69 5.335,70 25.257,71 5.523}
{0 CHEMBL550475,1 1,3 5,4 22.956,5 1,7 130.2,8 188.36,10 1,11 0.98,12 7,13 10.027,14 10.027,15 5.667,16 7,17 0.922,18 1,19 1,20 -0.519,22 71.414,23 1,24 1.272,25 9,27 0.651,28 3.511,29 150.121,30 0.712,31 12.887,32 0.98,33 5.416,34 17.245,36 0.369,37 4.626,38 4.626,39 1,40 6.743,41 6.743,43 18.053,44 4.237,45 18.289,46 3.992,47 1,48 25.662,49 0.775,50 16.932,51 4.942,52 13.325,53 5.297,54 23.804,55 1,56 21.952,57 27.524,58 2,59 1.743,60 1,62 1.365,63 1,64 3.404,65 36.608,66 29.391,67 22.159,68 5.147,69 3.431,70 24.555,71 7.921}
{0 CHEMBL550741,1 1,3 5,4 11.431,5 1,7 97.86,8 130.765,10 1,12 6,13 10.011,14 10.011,15 5.581,16 6,18 1,19 1,20 -0.526,22 55.101,23 1,24 1.288,25 7,27 0.466,28 2.596,29 124.976,30 0.408,31 12.666,32 1.08,33 5.416,34 17.245,36 0.2,37 4.626,38 4.626,39 1,40 6.743,41 6.743,43 17.963,44 3.877,45 18.289,46 3.99,47 1,48 25.592,49 0.644,50 16.834,51 4.663,52 13.169,53 5.296,54 23.723,55 1,56 21.86,57 27.463,58 2,59 1.649,60 1,61 1,62 1.151,63 1,64 3.154,65 25.237,66 29.338,67 22.115,68 4.945,69 2.302,70 24.514,71 6.523}
{0 CHEMBL551078,1 1,3 4,4 25.252,5 1,7 109.89,8 189.433,10 1,11 0.98,12 9,13 10.52,14 10.52,15 5.617,16 6,17 0.657,18 1,19 1,20 -0.644,22 60.077,23 1,24 1.182,25 8,27 0.635,28 3.238,29 115.748,30 0.648,31 12.892,32 1.413,33 5.416,34 29.016,36 0.531,37 4.626,38 4.626,39 1,40 6.744,41 6.744,43 18.407,44 4.285,45 18.292,46 3.932,47 1,48 25.933,49 0.775,50 17.274,51 4.898,52 13.409,53 5.302,54 24.065,55 1,56 22.201,57 27.805,58 2,59 1.748,60 1,62 1.485,63 1,64 3.25,65 88.195,66 29.68,67 22.487,68 5.215,69 3.885,70 24.878,71 4.086}
{0 CHEMBL551079,1 1,3 4,4 26.024,5 1,7 119.12,8 195.434,10 1,11 0.98,12 8,13 10.178,14 10.178,15 5.631,16 8,17 0.657,18 2,19 1,20 -0.644,22 62.135,23 1,24 1.184,25 9,27 0.792,28 3.192,29 126.748,30 1.253,31 12.888,32 0.969,33 5.416,34 17.245,35 1,36 0.87,37 4.626,38 4.626,39 2,40 6.743,41 6.743,43 18.349,44 4.286,45 18.29,46 3.915,47 1,48 25.857,49 0.775,50 17.22,51 4.942,52 13.395,53 5.3,54 23.994,55 1,56 22.135,57 27.724,58 2,59 1.747,60 1,62 1.545,63 2,64 3.279,65 109.723,66 29.594,67 22.402,68 5.215,69 4.131,70 24.786,71 4.721}
{0 CHEMBL551422,1 1,3 5,4 16.147,5 1,7 118.09,8 143.038,10 1,11 0.765,12 6,13 10.026,14 10.026,15 5.591,16 6,18 1,19 1,20 -0.556,22 58.286,23 1,24 1.249,25 7,27 0.553,28 2.739,29 167.66,30 0.475,31 12.743,32 1.166,33 5.416,34 17.245,35 2,36 0.28,37 4.637,38 4.637,39 1,40 6.748,41 6.748,42 1,43 18.012,44 3.958,45 18.331,46 4.002,47 1,48 25.62,49 0.647,50 16.882,51 4.779,52 13.232,53 5.306,54 23.755,55 1,56 21.895,57 27.489,58 2,59 1.665,60 1,61 1,62 1.323,63 1,64 3.179,65 34.796,66 29.361,67 22.14,68 5.037,69 2.302,70 24.54,71 7.036}
{0 CHEMBL551483,1 1,3 5,4 19.562,5 1,7 109.89,8 162.354,10 1,11 0.657,12 7,13 10.026,14 10.026,15 5.641,16 6,18 1,19 1,20 -0.528,22 62.498,23 1,24 1.291,25 7,27 0.474,28 2.988,29 124.976,30 0.521,31 12.758,32 0.967,33 5.416,34 17.245,36 0.223,37 4.626,38 4.626,39 1,40 6.743,41 6.743,42 1,43 18.008,44 4.116,45 18.289,46 3.992,47 1,48 25.621,49 0.775,50 16.88,51 4.804,52 13.237,53 5.297,54 23.756,55 1,56 21.897,57 27.489,58 2,59 1.723,60 1,62 1.333,63 1,64 3.155,65 29.896,66 29.361,67 22.136,68 5.037,69 2.302,70 24.535,71 4.432}
{0 CHEMBL551545,1 1,3 5,4 22.724,5 1,7 109.89,8 178.52,10 1,11 0.657,12 9,13 10.029,14 10.029,15 5.663,16 6,18 1,19 1,20 -0.531,22 60.392,23 1,24 1.291,25 7,27 0.54,28 3.127,29 124.976,30 0.481,31 12.817,32 0.913,33 5.416,34 17.245,36 0.19,37 4.626,38 4.626,39 1,40 6.743,41 6.743,43 18.314,44 4.261,45 18.289,46 3.992,47 1,48 25.823,49 0.775,50 17.185,51 4.836,52 13.366,53 5.297,54 23.96,55 1,56 22.101,57 27.689,58 2,59 1.743,60 1,62 1.343,63 1,64 3.248,65 32.789,66 29.558,67 22.347,68 5.182,69 2.302,70 24.728,71 4.319}
{0 CHEMBL552084,1 1,3 5,4 20.64,5 1,7 130.12,8 178.812,10 1,11 0.657,12 7,13 10.026,14 10.026,15 5.646,16 6,18 1,19 1,20 -0.544,22 65.032,23 1,24 1.278,25 7,27 0.637,28 3.064,29 167.66,30 0.564,31 12.771,32 0.992,33 5.416,34 17.245,36 0.29,37 4.626,38 4.626,39 1,40 6.743,41 6.743,43 18.008,44 4.191,45 18.289,46 3.992,47 1,48 25.621,49 0.775,50 16.88,51 4.828,52 13.241,53 5.297,54 23.757,55 1,56 21.897,57 27.489,58 2,59 1.743,60 1,62 1.45,63 1,64 3.155,65 38.47,66 29.361,67 22.136,68 5.037,69 2.302,70 24.535,71 7.721}
{0 CHEMBL552348,1 1,3 5,4 21.576,5 1,7 143.62,8 197.64,10 1,11 0.98,12 11,13 10.891,14 10.891,15 5.664,16 7,17 0.916,18 1,19 1,20 -0.563,22 66.403,23 1,24 1.262,25 9,27 0.896,28 4.997,29 169.289,30 0.72,31 12.941,32 0.976,33 5.416,34 17.245,36 0.457,37 4.685,38 4.685,39 1,40 6.743,41 6.743,43 18.482,44 4.303,45 18.289,46 4.028,47 1,48 25.987,49 0.825,50 17.343,51 4.963,52 13.605,53 5.297,54 24.115,55 2,56 22.246,57 27.864,58 2,59 1.749,60 1,62 1.44,63 3,64 3.405,65 69.327,66 29.743,67 22.566,68 5.447,69 5.9,70 24.962,71 7.796}
{0 CHEMBL553,4 25.355,7 74.73,11 0.86,12 5,13 8.765,14 8.765,16 5,17 0.86,18 2,22 41.844,23 1,25 5,27 0.305,28 1.816,29 100.892,30 0.375,31 12.425,32 0.925,34 54.451,35 1,36 0.454,37 4.576,38 4.576,39 4,40 6.586,41 6.586,42 1,43 17.317,44 4.04,45 17.476,46 3.52,48 24.937,49 0.561,50 16.214,51 4.625,52 12.928,53 5.178,54 23.1,55 1,56 21.27,57 26.779,58 3,59 1.772,61 1,62 1.371,63 1,64 2.877,65 33.876,66 28.626,67 21.394,68 4.691,69 1.72,70 23.766,71 5.05}
{0 CHEMBL554,4 28.108,7 114.73,8 115.698,11 0.657,12 6,13 9.951,14 9.951,16 8,17 0.4,18 1,22 54.639,23 3,25 10,27 0.861,28 3.131,29 152.5,30 0.713,31 12.815,32 1.077,33 4.595,34 28.186,35 1,36 0.486,37 4.622,38 4.622,39 1,40 6.557,41 6.557,43 17.978,44 4.32,45 17.268,46 3.992,48 25.482,49 0.935,50 16.881,51 4.92,52 13.564,53 5.17,54 23.653,55 2,56 21.83,57 27.315,58 2,59 1.928,62 1.466,64 3.144,65 63.858,66 29.152,67 21.884,68 5.46,69 5.9,70 24.214,71 5.05}
{0 CHEMBL555970,1 1,3 5,4 17.981,5 1,7 109.89,8 154.27,10 1,11 0.657,12 6,13 10.026,14 10.026,15 5.627,16 6,18 1,19 1,20 -0.53,22 60.392,23 1,24 1.289,25 7,27 0.49,28 2.876,29 124.976,30 0.538,31 12.749,32 1.001,33 5.416,34 17.245,36 0.244,37 4.626,38 4.626,39 1,40 6.743,41 6.743,42 1,43 18.007,44 4.035,45 18.289,46 3.992,47 1,48 25.62,49 0.701,50 16.879,51 4.787,52 13.235,53 5.297,54 23.756,55 1,56 21.897,57 27.489,58 2,59 1.686,60 1,61 1,62 1.326,63 1,64 3.155,65 29.629,66 29.361,67 22.136,68 5.037,69 2.302,70 24.535,71 4.444}
{0 CHEMBL557126,1 1,3 5,4 24.085,5 1,7 104.34,8 189.365,10 1,11 0.916,12 7,13 10.027,14 10.027,15 5.691,16 7,17 0.8,18 1,19 1,20 -0.522,22 68.815,23 1,24 1.301,25 9,27 0.532,28 3.829,29 124.976,30 0.582,31 12.884,32 1.021,33 5.416,34 17.245,36 0.301,37 4.626,38 4.626,39 1,40 6.743,41 6.743,43 18.047,44 4.295,45 18.289,46 3.992,47 1,48 25.658,49 0.825,50 16.926,51 4.934,52 13.299,53 5.297,54 23.8,55 1,56 21.948,57 27.521,58 2,59 1.748,60 1,62 1.486,63 1,64 3.155,65 31.698,66 29.388,67 22.155,68 5.112,69 2.302,70 24.551,71 7.77}
{0 CHEMBL557735,1 1,3 5,4 23.325,5 1,7 109.89,8 178.52,10 1,11 0.657,12 10,13 10.029,14 10.029,15 5.689,16 6,18 1,19 1,20 -0.498,22 60.077,23 1,24 1.324,25 8,27 0.434,28 3.104,29 85.828,30 0.456,31 12.817,32 1.138,33 5.416,34 17.245,36 0.217,37 4.626,38 4.626,39 1,40 6.743,41 6.743,43 18.314,44 4.291,45 18.289,46 3.913,47 1,48 25.823,49 0.776,50 17.185,51 4.836,52 13.366,53 5.298,54 23.96,55 1,56 22.101,57 27.689,58 2,59 1.748,60 1,62 1.473,63 1,64 3.247,65 34.815,66 29.558,67 22.347,68 5.182,69 2.302,70 24.728,71 6.824}
{0 CHEMBL557878,1 1,2 1,3 2,4 16.418,5 1,6 1,7 98.38,8 149.096,10 1,11 0.98,12 5,13 10.501,14 10.501,15 5.377,16 2,18 1,19 1,20 -0.706,22 57.663,23 1,24 1.102,25 6,26 1.749,27 0.849,28 2.024,29 130.708,30 0.619,31 12.534,32 1.292,33 5.352,34 5.474,36 0.971,37 4.539,38 4.539,39 1,40 7.247,41 7.247,42 1,43 18.594,44 3.651,45 19.718,46 3.788,47 1,48 26.153,49 0.557,50 17.409,51 4.382,52 13.147,53 5.408,54 24.219,55 1,56 22.291,57 28.093,58 2,59 1.58,60 1,61 1,62 1.254,63 1,64 3.083,65 151.457,66 30.037,67 22.819,68 4.879,69 5.335,70 25.305,71 6.367}
{0 CHEMBL557945,1 1,3 5,4 16.147,5 1,7 118.09,8 143.633,10 1,11 0.765,12 6,13 10.044,14 10.044,15 5.594,16 6,18 1,19 1,20 -0.563,22 58.286,23 1,24 1.256,25 7,27 0.568,28 2.879,29 167.66,30 0.592,31 12.739,32 1.06,33 5.416,34 17.245,36 0.28,37 4.626,38 4.626,39 1,40 6.743,41 6.743,42 1,43 18.011,44 3.976,45 18.289,46 3.991,47 1,48 25.622,49 0.646,50 16.882,51 4.754,52 13.232,53 5.298,54 23.756,55 1,56 21.896,57 27.491,58 2,59 1.649,60 1,61 1,62 1.325,63 1,64 3.154,65 34.796,66 29.363,67 22.143,68 5.037,69 2.302,70 24.543,71 5.936}
{0 CHEMBL558074,1 1,3 2,4 20.775,5 1,7 150.79,8 204.099,10 1,11 1.058,12 4,13 10.291,14 10.291,15 5.452,16 4,17 0.98,18 1,19 1,20 -1.088,22 95.933,23 1,24 2.204,25 6,27 0.959,28 3.143,29 155.853,30 0.581,31 12.738,32 1.204,33 5.352,34 4.075,36 0.981,37 4.537,38 4.537,39 1,40 7.247,41 7.247,43 18.601,44 4.054,45 19.718,46 3.907,48 26.159,49 0.558,50 17.424,51 4.663,52 13.322,53 5.433,54 24.235,56 22.319,57 28.09,58 1,59 1.631,60 1,62 1.43,63 2,64 3.566,65 155.715,66 30.028,67 22.797,68 5.056,69 5.335,70 25.278,71 5.678}
{0 CHEMBL558752,4 25.984,6 1,7 80.65,8 199.753,11 0.86,12 2,13 11.657,14 11.657,16 8,17 0.4,18 1,22 30.458,25 5,26 1.733,27 1.547,28 2.301,29 151.117,30 1.274,31 12.96,32 0.683,33 5.416,34 13.915,35 1,36 1.625,37 4.63,38 4.63,39 1,40 7.121,41 7.121,43 19.005,44 3.937,45 18.803,46 3.879,47 2,48 26.52,49 0.64,50 17.826,51 4.977,52 13.587,53 5.281,54 24.591,55 1,56 22.669,57 28.452,59 1.76,62 1.456,63 2,64 3.274,65 256.909,66 30.389,67 23.087,68 5.352,69 5.335,70 25.54,71 5}
{0 CHEMBL559639,4 25.877,6 1,7 84.73,8 49.226,12 3,13 9.463,14 9.463,16 4,20 -0.075,22 34.14,23 1,25 7,26 1.772,27 0.307,28 2.45,29 75.379,30 0.238,31 12.8,32 0.958,33 5.861,34 4.656,35 1,36 0.212,37 4.691,38 4.691,40 7.035,41 7.035,42 1,43 18.242,44 3.865,45 19.605,46 3.767,48 25.709,49 0.759,50 17.068,51 4.836,52 13.111,53 5.39,54 23.812,55 1,56 21.924,57 27.614,58 2,59 1.679,61 1,62 1.273,63 2,64 2.856,65 19.778,66 29.525,67 22.532,68 4.89,69 2.117,70 25.028,71 5}
{0 CHEMBL559845,1 1,4 21.182,6 1,7 98.72,8 42.624,10 1,12 3,13 9.297,14 9.297,15 5.443,16 4,19 1,20 -0.507,22 29.071,23 1,25 7,26 1.673,27 0.324,28 2.18,29 108.276,30 0.262,31 12.654,32 0.91,33 4.844,34 4.656,35 1,36 0.22,37 4.688,38 4.688,40 7.03,41 7.03,42 1,43 18.173,44 3.483,45 19.54,46 3.66,48 25.65,49 0.474,50 16.994,51 4.71,52 13.03,53 5.385,54 23.746,55 1,56 21.851,57 27.56,58 2,59 1.67,60 1,61 1,62 1.079,63 2,64 2.846,65 25.964,66 29.476,67 22.487,68 4.796,69 1.96,70 24.984,71 7.167}
{0 CHEMBL559888,1 1,3 4,4 22.745,5 1,7 109.89,8 178.52,10 1,11 0.657,12 8,13 10.029,14 10.029,15 5.615,16 6,18 1,19 1,20 -0.591,22 66.012,23 1,24 1.23,25 7,27 0.665,28 2.998,29 100.788,30 0.549,31 12.817,32 1.087,33 5.416,34 32.205,36 0.217,37 4.626,38 4.626,39 1,40 6.743,41 6.743,43 18.314,44 4.165,45 18.289,46 3.913,47 1,48 25.823,49 0.775,50 17.185,51 4.836,52 13.366,53 5.298,54 23.96,55 1,56 22.101,57 27.689,58 2,59 1.745,60 1,62 1.351,63 1,64 3.248,65 36.478,66 29.558,67 22.347,68 5.182,69 2.302,70 24.728,71 7.337}
{0 CHEMBL559891,1 1,3 3,4 13.256,5 2,7 97.86,8 140.348,10 1,11 0.98,12 6,13 11.027,14 11.027,15 5.453,16 6,18 1,19 1,20 -0.711,22 60.236,23 1,24 1.11,25 7,27 0.805,28 2.53,29 130.585,30 0.572,31 12.748,32 1.245,33 5.416,34 16.632,36 0.919,37 4.625,38 4.625,39 1,40 7.247,41 7.247,43 18.72,44 3.809,45 19.718,46 3.904,48 26.269,49 0.558,50 17.536,51 4.682,52 13.333,53 5.405,54 24.336,56 22.41,57 28.206,58 2,59 1.65,60 1,61 1,62 1.274,63 1,64 3.16,65 147.387,66 30.148,67 22.962,68 5.066,69 5.335,70 25.446,71 6.886}
{0 CHEMBL560014,1 1,3 5,4 11.431,5 1,7 97.86,8 130.765,10 1,12 6,13 10.011,14 10.011,15 5.581,16 6,18 1,19 1,20 -0.526,22 55.101,23 1,24 1.288,25 7,27 0.466,28 2.596,29 124.976,30 0.408,31 12.666,32 1.08,33 5.416,34 17.245,36 0.2,37 4.626,38 4.626,39 1,40 6.743,41 6.743,43 17.963,44 3.877,45 18.289,46 3.99,47 1,48 25.592,49 0.644,50 16.834,51 4.663,52 13.169,53 5.296,54 23.723,55 1,56 21.86,57 27.463,58 2,59 1.649,60 1,61 1,62 1.151,63 1,64 3.154,65 25.237,66 29.338,67 22.115,68 4.945,69 2.302,70 24.514,71 6.509}
{0 CHEMBL560206,1 1,3 4,4 14.323,5 1,7 118.09,8 136.222,10 1,11 0.765,12 6,13 10.094,14 10.094,15 5.593,16 6,18 1,19 1,20 -0.539,22 54.786,23 1,24 1.278,25 8,27 0.356,28 2.661,29 128.511,30 0.37,31 12.696,32 1.198,33 5.416,34 17.245,35 1,36 0.227,37 4.626,38 4.626,39 1,40 6.743,41 6.743,42 1,43 17.989,44 3.926,45 18.289,46 3.88,47 1,48 25.623,49 0.644,50 16.859,51 4.691,52 13.182,53 5.297,54 23.754,55 1,56 21.889,57 27.495,58 2,59 1.649,60 1,61 1,62 1.326,63 1,64 3.151,65 32.757,66 29.371,67 22.164,68 4.945,69 2.302,70 24.565,71 5.426}
{0 CHEMBL560488,1 1,3 5,4 16.147,5 1,7 118.09,8 146.301,10 1,11 0.765,12 6,13 10.026,14 10.026,15 5.591,16 6,18 1,19 1,20 -0.556,22 58.286,23 1,24 1.261,25 7,27 0.554,28 2.754,29 167.66,30 0.607,31 12.736,32 0.968,33 5.416,34 17.245,36 0.28,37 4.626,38 4.626,39 1,40 6.743,41 6.743,42 1,43 18.005,44 3.956,45 18.289,46 3.991,47 1,48 25.619,49 0.647,50 16.877,51 4.762,52 13.232,53 5.297,54 23.754,55 1,56 21.895,57 27.488,58 2,59 1.65,60 1,61 1,62 1.324,63 1,64 3.155,65 34.796,66 29.36,67 22.135,68 5.037,69 2.302,70 24.534,71 7.097}
{0 CHEMBL560808,1 1,3 5,4 21.143,5 1,7 109.89,8 170.437,10 1,11 0.657,12 8,13 10.026,14 10.026,15 5.652,16 6,18 1,19 1,20 -0.529,22 60.392,23 1,24 1.292,25 7,27 0.493,28 3.065,29 124.976,30 0.502,31 12.776,32 0.938,33 5.416,34 17.245,36 0.205,37 4.626,38 4.626,39 1,40 6.743,41 6.743,43 18.011,44 4.191,45 18.289,46 3.992,47 1,48 25.624,49 0.775,50 16.885,51 4.82,52 13.254,53 5.297,54 23.761,55 1,56 21.904,57 27.492,58 2,59 1.738,60 1,62 1.339,63 1,64 3.155,65 31.278,66 29.363,67 22.137,68 5.075,69 2.302,70 24.536,71 4.167}
{0 CHEMBL560813,4 17.325,7 128,11 1.437,12 4,13 7.969,14 7.969,16 1,17 0.247,20 -1.507,22 21.359,23 1,25 2,27 0.485,28 1.488,29 157.604,30 0.359,31 12.236,32 0.843,34 6.604,35 1,36 0.35,37 4.463,38 4.463,40 6.259,41 6.259,42 1,43 16.804,44 3.215,45 15.938,46 3.574,48 24.467,49 0.267,50 15.76,51 4.331,52 12.922,53 5.066,54 22.69,56 20.918,57 26.249,59 1.539,61 1,62 1.098,63 2,64 3.562,65 45.431,66 28.036,67 20.557,68 4.783,69 4.069,70 22.824,71 5.1}
{0 CHEMBL561286,1 1,3 5,4 21.143,5 1,7 109.89,8 169.411,10 1,11 0.657,12 8,13 10.026,14 10.026,15 5.657,16 6,18 1,19 1,20 -0.523,22 65.461,23 1,24 1.298,25 7,27 0.47,28 3.098,29 124.976,30 0.51,31 12.838,32 0.942,33 6.107,34 17.245,36 0.207,37 4.626,38 4.626,39 1,40 6.743,41 6.743,43 18.044,44 4.159,45 18.289,46 3.992,47 1,48 25.651,49 0.788,50 16.922,51 4.852,52 13.289,53 5.297,54 23.792,55 1,56 21.939,57 27.515,58 2,59 1.66,60 1,62 1.376,63 1,64 3.155,65 29.159,66 29.383,67 22.152,68 5.112,69 2.302,70 24.547,71 7.921}
{0 CHEMBL562030,4 26.102,6 1,7 84.73,8 58.546,11 0.4,12 6,13 9.425,14 9.425,16 4,20 -0.166,22 34.362,23 1,25 7,26 1.754,27 0.337,28 2.768,29 75.379,30 0.248,31 12.805,32 0.87,33 4.844,34 4.656,35 1,36 0.206,37 4.691,38 4.691,40 7.034,41 7.034,43 18.211,44 3.993,45 19.591,46 3.83,48 25.695,49 0.712,50 17.036,51 4.89,52 13.167,53 5.388,54 23.797,55 1,56 21.908,57 27.6,58 2,59 1.798,61 1,62 1.297,63 2,64 2.852,65 19.986,66 29.513,67 22.521,68 4.902,69 2.162,70 25.018,71 5}
{0 CHEMBL562104,4 22.715,6 1,7 84.73,8 44.899,12 3,13 9.41,14 9.41,16 4,20 -0.169,22 29.071,23 1,25 7,26 1.733,27 0.354,28 2.265,29 75.379,30 0.238,31 12.684,32 0.71,33 4.844,34 4.656,35 1,36 0.245,37 4.69,38 4.69,40 7.034,41 7.034,42 1,43 18.193,44 3.665,45 19.583,46 3.666,48 25.672,49 0.629,50 17.013,51 4.754,52 13.044,53 5.388,54 23.769,55 1,56 21.874,57 27.582,58 2,59 1.696,61 1,62 1.167,63 2,64 2.849,65 19.808,66 29.498,67 22.512,68 4.796,69 2.117,70 25.011,71 5.375}
{0 CHEMBL562488,4 10.632,7 45.75,13 5.938,14 5.938,16 3,20 -0.11,22 13.702,25 3,27 0.213,28 1.016,29 41.93,30 0.02,31 11.571,36 0.139,37 4.402,38 4.402,40 6.473,41 6.473,43 16.659,44 0.59,45 16.723,46 3.264,48 24.351,50 15.563,51 3.401,52 12.164,53 5.09,54 22.504,56 20.663,57 26.203,59 0.836,61 1,63 1,64 2.581,65 9.336,66 28.058,67 20.737,68 3.98,69 2.22,70 23.096,71 4.1}
{0 CHEMBL562735,1 1,3 5,4 22.046,5 1,7 121.33,8 292.813,10 1,11 0.916,12 8,13 10.027,14 10.027,15 5.666,16 8,17 0.172,18 1,19 1,20 -0.54,22 67.138,23 1,24 1.283,25 9,27 0.626,28 3.431,29 167.66,30 0.65,31 12.885,32 0.988,33 5.778,34 17.245,36 0.292,37 4.626,38 4.626,39 1,40 6.743,41 6.743,43 18.062,44 4.228,45 18.289,46 3.992,47 1,48 25.664,49 0.83,50 16.941,51 4.913,52 13.301,53 5.298,54 23.806,55 1,56 21.954,57 27.527,58 2,59 1.761,60 1,62 1.564,63 1,64 3.156,65 35.35,66 29.394,67 22.162,68 5.112,69 2.302,70 24.557,71 7.699}
{0 CHEMBL562764,1 1,3 5,4 10.625,5 1,7 97.86,8 123.978,10 1,12 6,13 9.867,14 9.867,15 5.536,16 5,18 1,19 1,20 -0.524,22 59.693,23 1,24 1.286,25 7,27 0.503,28 2.454,29 124.976,30 0.335,31 12.585,32 1.144,33 5.416,34 17.245,36 0.227,37 4.625,38 4.625,39 1,40 6.741,41 6.741,42 1,43 17.832,44 3.784,45 18.28,46 3.99,47 1,48 25.447,49 0.557,50 16.705,51 4.595,52 13.12,53 5.288,54 23.583,55 1,56 21.724,57 27.315,58 2,59 1.648,60 1,61 1,62 1.127,63 1,64 3.152,65 23.871,66 29.187,67 21.977,68 4.902,69 2.302,70 24.377,71 5.939}
{0 CHEMBL563028,4 25.877,6 1,7 84.73,8 126.623,12 5,13 9.459,14 9.459,16 4,20 -0.061,22 39.209,23 1,25 7,26 1.788,27 0.381,28 2.697,29 75.379,30 0.255,31 12.805,32 0.983,33 5.352,34 4.656,35 1,36 0.217,37 4.691,38 4.691,40 7.035,41 7.035,42 1,43 18.224,44 4.015,45 19.604,46 3.747,48 25.7,49 0.761,50 17.048,51 4.883,52 13.098,53 5.39,54 23.802,55 1,56 21.913,57 27.606,58 2,59 1.751,61 1,62 1.421,63 2,64 2.853,65 22.418,66 29.519,67 22.528,68 4.844,69 2.117,70 25.025,71 5}
{0 CHEMBL563150,4 25.877,6 1,7 84.73,8 55.239,12 5,13 9.458,14 9.458,16 4,20 -0.21,22 31.828,23 1,25 7,26 1.743,27 0.313,28 2.655,29 75.379,30 0.25,31 12.811,32 0.977,33 4.844,34 4.656,35 1,36 0.194,37 4.692,38 4.692,40 7.035,41 7.035,43 18.222,44 3.969,45 19.604,46 3.818,48 25.7,49 0.659,50 17.047,51 4.898,52 13.167,53 5.39,54 23.802,55 1,56 21.913,57 27.606,58 2,59 1.775,61 1,62 1.203,63 2,64 2.853,65 18.957,66 29.518,67 22.527,68 4.902,69 2.117,70 25.024,71 5}
{0 CHEMBL563363,1 1,3 5,4 18.871,5 1,7 130.12,8 170.538,10 1,11 0.657,12 6,13 10.026,14 10.026,15 5.634,16 6,18 1,19 1,20 -0.548,22 62.498,23 1,24 1.273,25 7,27 0.567,28 2.985,29 167.66,30 0.625,31 12.765,32 0.97,33 5.416,34 17.245,36 0.305,37 4.626,38 4.626,39 1,40 6.743,41 6.743,42 1,43 18.008,44 4.131,45 18.289,46 3.992,47 1,48 25.621,49 0.775,50 16.88,51 4.82,52 13.239,53 5.297,54 23.756,55 1,56 21.897,57 27.489,58 2,59 1.726,60 1,62 1.348,63 1,64 3.155,65 38.339,66 29.361,67 22.136,68 5.037,69 2.302,70 24.535,71 7.678}
{0 CHEMBL563387,1 1,3 5,4 18.495,5 1,7 101.1,8 162.24,10 1,11 0.916,12 7,13 10.027,14 10.027,15 5.643,16 7,17 0.172,18 1,19 1,20 -0.528,22 60.392,23 1,24 1.292,25 9,27 0.53,28 2.951,29 124.976,30 0.576,31 12.774,32 1.049,33 5.416,34 17.245,36 0.267,37 4.626,38 4.626,39 1,40 6.743,41 6.743,43 18.017,44 4.097,45 18.289,46 3.992,47 1,48 25.628,49 0.765,50 16.89,51 4.812,52 13.253,53 5.297,54 23.765,55 1,56 21.907,57 27.495,58 2,59 1.714,60 1,62 1.326,63 1,64 3.155,65 29.068,66 29.366,67 22.14,68 5.075,69 2.302,70 24.539,71 4.319}
{0 CHEMBL563411,1 1,3 5,4 22.034,5 1,7 130.12,8 186.704,10 1,11 0.657,12 8,13 10.768,14 10.768,15 5.656,16 6,18 1,19 1,20 -0.55,22 60.392,23 1,24 1.273,25 7,27 0.735,28 3.125,29 167.66,30 0.585,31 12.84,32 0.918,33 5.416,34 17.245,36 0.269,37 4.626,38 4.626,39 1,40 6.743,41 6.743,43 18.423,44 4.274,45 18.289,46 3.992,47 1,48 25.958,49 0.775,50 17.285,51 4.852,52 13.386,53 5.304,54 24.083,55 1,56 22.213,57 27.836,58 2,59 1.744,60 1,62 1.349,63 1,64 3.333,65 42.088,66 29.716,67 22.523,68 5.182,69 2.302,70 24.916,71 7.638}
{0 CHEMBL563447,1 1,3 5,4 16.147,5 1,7 118.09,8 142.708,10 1,11 0.765,12 6,13 10.031,14 10.031,15 5.594,16 6,18 1,19 1,20 -0.563,22 58.286,23 2,24 1.239,25 7,27 0.627,28 2.756,29 167.66,30 0.511,31 12.746,32 1.12,33 5.416,34 17.245,36 0.28,37 4.64,38 4.64,39 1,40 6.752,41 6.752,42 1,43 18.018,44 3.997,45 18.336,46 4.002,47 1,48 25.622,49 0.646,50 16.887,51 4.787,52 13.232,53 5.308,54 23.757,55 1,56 21.896,57 27.491,58 2,59 1.652,60 1,61 1,62 1.305,63 1,64 3.185,65 34.794,66 29.364,67 22.148,68 5.037,69 2.302,70 24.55,71 6.678}
{0 CHEMBL563469,1 1,3 5,4 23.285,5 1,7 101.1,8 189.365,10 1,11 0.916,12 9,13 10.027,14 10.027,15 5.67,16 9,17 0.172,18 1,19 1,20 -0.546,22 69.673,23 1,24 1.278,25 9,27 0.774,28 3.821,29 139.936,30 0.633,31 12.884,32 0.985,33 5.416,34 32.205,36 0.318,37 4.626,38 4.626,39 1,40 6.743,41 6.743,43 18.047,44 4.273,45 18.289,46 3.992,47 1,48 25.658,49 0.825,50 16.926,51 4.934,52 13.299,53 5.297,54 23.8,55 1,56 21.948,57 27.521,58 2,59 1.746,60 1,62 1.393,63 1,64 3.155,65 39.621,66 29.388,67 22.155,68 5.112,69 2.302,70 24.551,71 7.886}
{0 CHEMBL563989,1 1,3 5,4 25.751,5 1,7 109.89,8 188.75,10 1,11 0.657,12 12,13 10.817,14 10.817,15 5.747,16 6,18 1,19 1,20 -0.483,22 65.146,23 1,24 1.343,25 8,27 0.434,28 3.668,29 85.828,30 0.551,31 12.984,32 1.042,33 6.138,34 17.245,36 0.224,37 4.626,38 4.626,39 1,40 6.745,41 6.745,43 18.494,44 4.421,45 18.3,46 3.974,47 1,48 25.989,49 0.825,50 17.357,51 4.97,52 13.443,53 5.325,54 24.119,55 1,56 22.254,57 27.863,58 2,59 1.746,60 1,62 1.397,63 1,64 3.248,65 35.882,66 29.74,67 22.573,68 5.247,69 2.302,70 24.972,71 6.678}
{0 CHEMBL564067,1 1,3 5,4 23.814,5 1,7 121.33,8 189.365,10 1,11 0.916,12 9,13 10.027,14 10.027,15 5.678,16 9,17 0.172,18 1,19 1,20 -0.537,22 69.673,23 2,24 1.287,25 9,27 0.7,28 3.847,29 167.66,30 0.598,31 12.884,32 1.003,33 5.416,34 17.245,36 0.278,37 4.626,38 4.626,39 1,40 6.743,41 6.743,43 18.047,44 4.286,45 18.289,46 3.992,47 1,48 25.658,49 0.825,50 16.926,51 4.934,52 13.299,53 5.297,54 23.8,55 1,56 21.948,57 27.521,58 2,59 1.746,60 1,62 1.408,63 1,64 3.155,65 35.28,66 29.388,67 22.155,68 5.112,69 2.302,70 24.551,71 7.569}
{0 CHEMBL564431,1 1,3 4,4 13.256,5 1,7 97.86,8 140.348,10 1,11 0.98,12 6,13 11.027,14 11.027,15 5.451,16 5,18 1,19 1,20 -0.714,22 59.378,23 1,24 1.102,25 8,27 0.813,28 2.508,29 130.708,30 0.571,31 12.748,32 1.298,33 5.416,34 17.245,36 0.928,37 4.625,38 4.625,39 1,40 7.247,41 7.247,42 1,43 18.72,44 3.805,45 19.718,46 3.904,47 1,48 26.269,49 0.558,50 17.536,51 4.682,52 13.333,53 5.408,54 24.336,55 1,56 22.41,57 28.206,58 2,59 1.648,60 1,61 1,62 1.253,63 1,64 3.16,65 147.126,66 30.148,67 22.962,68 5.066,69 5.335,70 25.446,71 5.301}
{0 CHEMBL564529,1 1,3 5,4 21.143,5 1,7 109.89,8 296.865,10 1,11 0.657,12 8,13 10.026,14 10.026,15 5.679,16 6,18 1,19 1,20 -0.522,22 70.53,23 1,24 1.301,25 7,27 0.528,28 3.387,29 124.976,30 0.464,31 12.844,32 0.948,33 5.733,34 17.245,36 0.182,37 4.626,38 4.626,39 1,40 6.743,41 6.743,43 18.027,44 4.284,45 18.289,46 3.992,47 1,48 25.643,49 0.912,50 16.903,51 4.883,52 13.278,53 5.297,54 23.783,55 1,56 21.929,57 27.508,58 2,59 1.751,60 1,62 1.597,63 1,64 3.155,65 30.752,66 29.376,67 22.146,68 5.075,69 2.302,70 24.542,71 7.602}
{0 CHEMBL564829,4 37.247,6 1,7 91.21,8 70.016,11 0.8,12 3,13 10.216,14 10.216,16 6,17 0.4,20 -0.179,22 37.716,23 1,25 9,26 1.765,27 0.436,28 3.733,29 75.379,30 0.35,31 13.106,32 0.746,33 4.844,34 4.656,35 2,36 0.374,37 4.845,38 4.845,40 7.626,41 7.626,43 19.334,44 4.149,45 22.267,46 3.699,48 26.693,49 0.825,50 18.078,51 5.136,52 13.419,53 5.669,54 24.717,55 1,56 22.75,57 28.679,58 2,59 1.841,62 1.463,63 2,64 3.141,65 30.615,66 30.672,67 23.83,68 5.139,69 2.117,70 26.459,71 5}
{0 CHEMBL564877,1 1,3 2,4 16.418,5 2,7 147.71,8 150.096,10 1,11 0.98,12 3,13 10.286,14 10.286,15 10.949,16 3,18 1,19 1,20 -0.724,22 88.043,23 1,24 2.288,25 4,27 0.831,28 2.484,29 163.605,30 0.561,31 12.51,32 1.287,33 5.352,34 4.075,36 0.927,37 4.537,38 4.537,39 1,40 7.247,41 7.247,42 1,43 18.545,44 3.676,45 19.718,46 3.904,48 26.086,49 0.265,50 17.359,51 4.369,52 13.123,53 5.425,54 24.151,56 22.223,57 28.027,58 1,59 1.547,60 1,61 1,62 1.178,63 1,64 3.043,65 154.769,66 29.973,67 22.757,68 4.879,69 5.335,70 25.247,71 5.523}
{0 CHEMBL565612,4 17.659,7 97.98,8 129.391,11 0.8,12 6,13 10.735,14 10.735,16 6,17 0.8,20 -0.221,22 41.479,23 1,25 7,27 0.457,28 3.284,29 83.861,30 0.475,31 13.123,32 1.052,33 5.476,34 15.814,35 1,36 0.346,37 4.785,38 4.785,40 7.159,41 7.159,42 1,43 18.655,44 4.313,45 20.276,46 3.74,48 26.173,49 0.825,50 17.472,51 5.231,52 13.48,53 5.466,54 24.262,55 3,56 22.358,57 28.09,58 2,59 1.772,61 1,62 1.467,63 2,64 3.199,65 23.924,66 30.012,67 23.063,68 5.207,69 2.4,70 25.577,71 7.2}
{0 CHEMBL572878,4 36.777,7 127.37,8 100.105,11 0.8,12 7,13 8.907,14 8.907,16 7,17 0.8,20 0.114,22 65.157,23 2,25 3,27 0.476,28 2.992,29 75.379,30 0.467,31 12.637,32 1.164,33 5.82,34 10.434,35 1,36 0.337,37 4.296,38 4.296,40 6.219,41 6.219,43 17.189,44 4.188,45 15.729,46 3.827,48 24.77,49 0.825,50 16.149,51 4.682,52 12.976,53 5.07,54 22.996,55 2,56 21.228,57 26.549,58 2,59 1.786,62 1.427,63 2,64 3.235,65 28.572,66 28.332,67 20.885,68 4.879,69 5.9,70 23.146,71 5.05}
{0 CHEMBL572881,4 27.538,7 78.94,8 67.027,11 0.4,12 2,13 9.967,14 9.967,16 5,20 -0.192,22 26.314,23 2,25 3,27 0.465,28 2.174,29 58.716,30 0.197,31 12.568,32 1.077,33 4.844,34 2.328,35 1,36 0.184,37 4.62,38 4.62,40 7.414,41 7.414,42 1,43 18.777,44 3.836,45 20.548,46 3.779,48 26.255,49 0.548,50 17.558,51 4.477,52 13.093,53 5.503,54 24.291,56 22.335,57 28.226,59 1.82,61 1,62 1.316,63 1,64 2.84,65 22.805,66 30.202,67 23.128,68 4.771,69 2.117,70 25.679,71 5}
{0 CHEMBL573339,4 12.611,7 84.51,8 37.097,12 3,13 9.524,14 9.524,16 6,22 35.198,25 7,27 0.401,28 2.254,29 113.547,30 0.383,31 12.791,32 1.052,33 4.844,34 7.164,35 2,36 0.347,37 4.779,38 4.779,39 1,40 6.937,41 6.937,42 1,43 18.146,44 3.933,45 19.31,46 3.671,48 25.627,49 0.698,50 16.98,51 4.956,52 13.171,53 5.393,54 23.74,55 3,56 21.86,57 27.519,58 1,59 1.771,61 1,62 1.14,63 2,64 2.874,65 21.708,66 29.416,67 22.378,68 4.956,69 1.72,70 24.844,71 5.05}
{0 CHEMBL574738,4 41.64,7 94.65,11 0.916,12 3,13 8.044,14 8.044,16 7,17 0.86,18 1,20 -0.662,22 41.181,23 2,25 4,27 0.866,28 2.82,29 114.596,30 1.561,31 12.681,32 1.056,34 11.418,35 1,36 1.167,37 4.561,38 4.561,39 1,40 7.254,41 7.254,43 18.425,44 4.121,45 19.807,46 3.758,48 25.938,49 0.825,50 17.24,51 4.71,52 13.149,53 5.363,54 24.007,55 2,56 22.09,57 27.88,59 1.919,62 1.551,63 1,64 3.092,65 151.997,66 29.831,67 22.628,68 4.966,69 5.335,70 25.136,71 5}
{0 CHEMBL576982,4 30.283,7 134.4,8 309.188,11 0.86,12 4,13 11.258,14 11.258,16 9,17 0.8,18 1,20 -0.389,22 80.257,23 1,24 1.634,25 10,27 0.67,28 3.747,29 93.261,30 0.249,31 13.012,32 0.95,33 5.82,34 26.714,35 1,36 0.499,37 4.749,38 4.749,39 2,40 7.118,41 7.118,43 18.678,44 4.191,45 18.829,46 3.852,47 1,48 26.138,49 0.922,50 17.507,51 5.088,52 13.518,53 5.494,54 24.229,55 1,56 22.33,57 28.053,58 2,59 1.924,62 1.547,63 1,64 3.275,65 39.025,66 29.974,67 22.746,68 5.323,69 2.912,70 25.196,71 5}
{0 CHEMBL578061,4 18.974,7 49.84,13 7.398,14 7.398,16 2,22 9.741,23 1,27 0.167,28 1.166,29 33.571,30 0.107,31 11.776,32 0.827,34 4.227,36 0.132,37 4.142,38 4.142,40 5.728,41 5.728,42 1,43 15.677,44 3.263,45 13.967,46 3.689,48 23.342,49 0.222,50 14.727,51 3.85,52 12.274,53 4.792,54 21.636,55 1,56 19.934,57 25.051,59 1.31,61 1,62 1.062,64 2.389,65 14.255,66 26.763,67 19.258,68 4.007,69 0.8,70 21.428,71 4.7}
{0 CHEMBL583042,4 23.538,7 102.93,8 100.844,11 0.4,12 2,13 9.284,14 9.284,16 3,20 -0.395,22 40.553,23 1,25 4,27 0.831,28 2.373,29 194.657,30 0.707,31 12.677,32 0.894,33 4.595,34 31.387,35 1,36 0.378,37 4.449,38 4.449,40 6.501,41 6.501,43 17.546,44 4.039,45 16.952,46 3.956,48 25.246,49 0.685,50 16.47,51 4.682,52 13.182,53 5.133,54 23.427,55 1,56 21.614,57 27.07,58 1,59 1.808,62 1.43,64 3.149,65 35.442,66 28.897,67 21.502,68 5.037,69 2.162,70 23.827,71 5.398}
{0 CHEMBL583144,4 12.19,7 73.99,8 18.11,13 8.856,14 8.856,16 1,20 -0.168,22 50.417,24 1.306,25 2,27 0.301,28 2.447,29 120.228,30 0.189,31 12.395,33 4.844,34 2.104,36 0.213,37 4.774,38 4.774,40 7.037,41 7.037,43 18.138,44 1.59,45 19.514,46 3.656,48 25.589,50 16.945,51 4.369,52 12.893,53 5.4,54 23.674,56 21.765,57 27.51,59 1.077,61 1,62 0.197,63 1,64 2.84,65 15.743,66 29.435,67 22.459,68 4.677,69 2.22,70 24.968,71 5.1}
{0 CHEMBL590109,3 2,4 7.443,6 1,7 139.67,8 168.543,9 1,12 6,13 10.966,14 10.966,15 11.752,16 3,19 1,22 60.627,24 1.777,25 4,26 2.086,27 0.155,28 3.704,29 116.028,30 0.344,31 13.064,32 1.094,33 5.82,34 20.063,35 1,36 0.173,37 4.73,38 4.73,40 6.885,41 6.885,42 1,43 18.426,44 4.184,45 18.989,46 3.966,48 25.907,49 0.672,50 17.267,51 5.209,52 13.517,53 5.387,54 24.024,55 1,56 22.147,57 27.795,59 1.812,61 1,62 1.386,64 2.897,65 19.934,66 29.686,67 22.619,68 5.316,70 25.067,71 5.05}
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{0 CHEMBL592030,3 2,4 9.487,5 2,6 1,7 139.67,8 176.472,9 1,10 1,12 7,13 10.966,14 10.966,15 11.709,16 4,19 1,22 63.162,23 1,24 1.782,25 4,26 2.162,27 0.2,28 3.826,29 116.028,30 0.4,31 13.072,32 1.115,33 5.82,34 20.063,35 1,36 0.17,37 4.73,38 4.73,40 6.885,41 6.885,43 18.427,44 4.262,45 18.99,46 3.967,48 25.907,49 0.735,50 17.268,51 5.226,52 13.518,53 5.387,54 24.025,55 1,56 22.148,57 27.795,59 1.843,61 1,62 1.39,64 2.897,65 21.162,66 29.687,67 22.619,68 5.316,70 25.068,71 5.1}
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{0 CHEMBL607707,4 30.281,7 90.28,11 0.916,12 4,13 9.164,14 9.164,16 8,17 0.86,18 1,20 -0.318,22 45.441,23 2,25 4,27 0.637,28 2.187,29 138.098,30 0.7,31 12.659,32 1.097,34 14.96,35 2,36 0.345,37 4.64,38 4.64,39 1,40 6.741,41 6.741,42 1,43 17.726,44 4.194,45 18.277,46 3.676,48 25.331,49 0.708,50 16.606,51 4.812,52 13.199,53 5.222,54 23.483,56 21.642,57 27.186,59 1.76,62 1.3,63 2,64 3.314,65 28.764,66 29.047,67 21.848,68 5.037,69 4.069,70 24.258,71 5}
{0 CHEMBL608154,4 12.855,7 79.9,8 38.409,12 2,13 9.902,14 9.902,16 5,18 1,20 -0.283,22 31.582,23 2,25 5,27 0.43,28 2.173,29 108.865,30 0.497,31 12.77,32 1.114,33 4.844,34 4.288,35 1,36 0.262,37 4.798,38 4.798,39 1,40 6.976,41 6.976,42 1,43 18.301,44 3.776,45 19.555,46 3.806,48 25.814,49 0.578,50 17.13,51 4.828,52 13.28,53 5.348,54 23.921,56 22.034,57 27.712,59 1.54,61 1,62 1.31,63 1,64 3.037,65 21.856,66 29.614,67 22.54,68 5.085,69 2.117,70 25.013,71 5}
{0 CHEMBL608427,4 10.416,7 85.07,8 22.348,13 8.922,14 8.922,16 4,20 -0.089,22 19.981,23 1,25 6,27 0.345,28 1.54,29 92.165,30 0.25,31 12.506,32 0.351,33 4.727,34 2.757,35 2,36 0.261,37 4.687,38 4.687,40 6.984,41 6.984,42 1,43 17.929,44 2.343,45 19.322,46 3.466,48 25.506,49 0.149,50 16.76,51 4.654,52 12.911,53 5.32,54 23.602,55 4,56 21.705,57 27.416,58 1,59 1.523,61 1,62 0.906,63 1,64 2.745,65 17.297,66 29.331,67 22.36,68 4.677,69 3.497,70 24.854,71 4}
{0 CHEMBL610512,4 20.172,7 120.6,11 0.986,12 2,13 9.936,14 9.936,16 5,17 0.324,20 -1.385,22 33.189,23 3,25 6,27 0.64,28 1.809,29 109.006,30 0.566,31 12.603,32 0.867,33 2.708,34 6.604,35 1,36 0.361,37 4.579,38 4.579,40 6.759,41 6.759,42 1,43 17.832,44 3.004,45 18.312,46 3.479,48 25.389,49 0.126,50 16.69,51 4.796,52 12.947,53 5.283,54 23.521,56 21.659,57 27.263,59 1.454,61 1,62 0.93,63 3,64 3.329,65 30.268,66 29.14,67 21.988,68 4.771,69 3.497,70 24.413,71 4}
{0 CHEMBL6246,4 13.892,7 141.34,13 10.302,14 10.302,16 6,20 -1.882,22 37.612,23 2,25 10,27 1.331,28 1.933,29 243.023,30 0.723,31 12.983,32 0.959,35 6,36 0.675,37 4.813,38 4.813,39 2,40 7.248,41 7.248,42 1,43 18.79,44 2.382,45 20.603,46 3.397,48 26.191,50 17.571,51 5.13,52 13.274,53 5.55,54 24.266,55 2,56 22.349,57 28.122,59 1.349,61 1,62 0.848,64 3.235,65 79.596,66 30.059,67 23.156,68 5.075,69 3.349,70 25.716,71 5.476}
{0 CHEMBL7064,4 1.291,7 45.75,8 17.835,13 9.361,14 9.361,16 4,20 0.083,22 22.164,25 7,27 0.117,28 1.782,29 41.808,30 0.037,31 12.602,32 0.725,33 4.727,34 2.757,35 1,36 0.03,37 4.79,38 4.79,40 7.122,41 7.122,42 1,43 18.361,44 2.098,45 20.389,46 3.352,48 25.803,49 0.156,50 17.154,51 4.673,52 12.99,53 5.39,54 23.879,56 21.961,57 27.732,59 1.28,61 1,62 0.72,64 2.63,65 6.469,66 29.665,67 22.726,68 4.677,70 25.26,71 5.1}
{0 CHEMBL91829,4 21.829,6 2,7 72.26,8 112.181,11 0.8,12 6,13 11.317,14 11.317,16 10,17 0.8,20 0.201,22 45.03,25 11,26 4.319,27 0.389,28 3.864,29 61.29,30 0.628,31 13.215,32 0.996,33 5.938,34 27.83,35 2,36 0.33,37 4.825,38 4.825,39 1,40 7.187,41 7.187,43 18.862,44 4.705,45 20.497,46 3.745,48 26.311,49 0.969,50 17.666,51 5.328,52 13.557,53 5.512,54 24.391,56 22.477,57 28.237,58 3,59 1.842,62 1.61,63 2,64 3.219,65 27.812,66 30.167,67 23.254,68 5.278,69 2.4,70 25.777,71 5}
{0 CHEMBL939,4 28.856,7 68.74,11 0.86,12 3,13 8.734,14 8.734,16 7,17 0.8,18 2,22 55.539,23 1,25 5,27 0.668,28 2.445,29 120.679,30 0.773,31 12.54,32 1.09,34 17.288,35 1,36 0.52,37 4.575,38 4.575,39 3,40 6.586,41 6.586,42 1,43 17.431,44 4,45 17.471,46 3.697,48 25.077,49 0.825,50 16.337,51 4.644,52 12.992,53 5.203,54 23.249,55 1,56 21.428,57 26.91,58 1,59 1.742,61 1,62 1.376,63 2,64 2.944,65 32.965,66 28.749,67 21.451,68 4.856,69 1.72,70 23.814,71 5.1}
{0 CHEMBL941,4 30.255,7 86.28,11 0.8,12 8,13 8.969,14 8.969,16 7,17 0.4,20 -0.143,22 38.145,25 6,27 0.379,28 3.137,29 75.502,30 0.357,31 12.647,32 1.05,34 1.899,36 0.335,37 4.315,38 4.315,40 6.185,41 6.185,43 17.122,44 4.248,45 15.558,46 3.833,48 24.865,49 0.825,50 16.094,51 4.736,52 13.075,53 5.001,54 23.086,55 1,56 21.311,57 26.65,58 1,59 1.936,62 1.48,63 1,64 3.043,65 28.678,66 28.437,67 20.936,68 4.89,69 2.117,70 23.192,71 5.05}
{0 CHEMBL95692,2 1,4 18.59,6 1,7 64.86,8 68.615,13 8.743,14 8.743,16 5,18 1,22 34.243,23 1,25 4,26 2.182,27 0.426,28 2.384,29 76.317,30 0.391,31 12.597,32 1.006,33 4.727,34 22.103,36 0.36,37 4.623,38 4.623,39 1,40 6.988,41 6.988,42 1,43 17.926,44 4.014,45 19.298,46 3.707,47 1,48 25.528,49 0.63,50 16.764,51 4.7,52 12.904,53 5.312,54 23.629,55 4,56 21.738,57 27.434,58 2,59 1.6,61 1,62 1.376,63 1,64 2.854,65 28.375,66 29.347,67 22.37,68 4.62,69 1.72,70 24.861,71 5.1}
{0 CHEMBL98350,4 13.258,7 42.68,11 0.643,12 3,13 9.13,14 9.13,16 6,18 1,20 0.611,22 38.144,25 4,27 0.366,28 2.07,29 47.145,30 0.313,31 12.473,32 1.193,36 0.202,37 4.563,38 4.563,39 2,40 6.805,41 6.805,42 1,43 17.685,44 3.661,45 18.616,46 3.633,48 25.332,49 0.59,50 16.548,51 4.585,52 12.784,53 5.301,54 23.459,55 1,56 21.59,57 27.211,59 1.545,61 1,62 1.062,63 2,64 3.022,65 15.71,66 29.094,67 21.948,68 4.443,69 2.22,70 24.379,71 5.689}