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{2 0.203,3 0.312,4 4.368,6 1.782,8 2.177,9 1.814,10 13.464,11 3.833,12 1215.67,13 3.867,14 191.527,15 25.663,16 3.747,17 3.748,18 132.502,19 18.876,20 6.08,21 10.037,22 6.78,23 13.114,24 9.975,25 17.477,26 15.561,27 5.889,28 15393.9,29 2.229,30 2.229,31 4.72,33 3.858,34 0.143,35 0.225,36 431.29,37 18.361,38 18.361,39 18.361,40 18.361,41 18.361,42 3.916,43 0.139,44 3.463,45 1123,46 4.038,47 10.837,48 4.694,49 2.75,50 13.152,51 187.143,52 448.389,53 0.107,54 120.048,55 88.885,56 18.221,57 271,58 46.121,59 3.557,60 15.642,61 7.358,62 11.896,63 5.164,64 15.334,65 587,66 3.176,67 25.295,68 3.862,69 14.814,70 5.25}
{0 CHEMBL101253,2 0.197,3 0.306,4 18.364,6 1.793,8 2.053,9 1.827,10 12.582,11 3.846,12 1045.76,13 3.882,14 164.795,15 24.261,16 3.757,17 3.758,18 120.213,19 17.698,20 6.034,21 10.4,22 6.731,23 12.293,24 9.15,25 15.707,26 14.555,27 5.5,28 12517.9,29 2.007,30 2.007,31 4.61,33 3.675,34 0.162,35 0.24,36 407.132,37 17.361,38 17.361,39 17.361,40 17.361,41 17.361,42 3.913,43 0.148,44 3.486,45 911,46 3.972,47 10.512,48 4.606,49 2.953,50 12.314,51 176.352,52 422.06,53 0.113,54 112.857,55 78.749,56 17.562,57 260,58 41.584,59 3.464,60 14.462,61 6.978,62 10.811,63 5.06,64 14.111,65 572,66 2.943,67 23.142,68 3.609,69 13.875,70 5.9}
{0 CHEMBL101311,1 5.611,2 0.177,3 0.29,4 29.83,5 1,6 1.653,7 1,8 2.437,9 1.699,10 14.962,11 3.764,12 1733.18,13 3.812,14 235.422,15 29.209,16 3.609,17 3.631,18 159.05,19 20.591,20 8.365,21 14.1,22 6.325,23 14.385,24 11.009,25 22.591,26 17.549,27 6.611,28 26063.9,29 2.227,30 2.227,31 4.875,32 1,33 3.75,34 0.122,35 0.191,36 570.453,37 19.825,38 19.825,39 19.825,40 19.825,41 19.825,42 3.919,43 0.12,44 3.984,45 1624,46 4.121,47 11.886,48 4.831,49 3.248,50 14.595,51 222.313,52 534.203,53 0.091,54 104.774,55 96.607,56 22.51,57 423,58 47.1,59 3.583,60 17.215,61 10.794,62 13.224,63 5.741,64 18.153,65 884,66 3.151,67 38.142,68 3.75,69 15.826,70 5.7}
{0 CHEMBL102301,1 21.701,2 0.141,3 0.227,4 31.936,5 4,6 1.676,7 4,8 2.331,9 1.738,10 16.445,11 3.797,12 2086.29,13 3.856,14 282.506,15 31.193,16 3.631,17 3.627,18 177.854,19 23.876,20 8.235,21 14,22 8.716,23 16.157,24 12.15,25 22.405,26 20.822,27 7.333,28 32278.5,29 2.325,30 2.325,31 5.016,32 4,33 3.945,34 0.122,35 0.182,36 555.962,37 22.911,38 22.911,39 22.911,40 22.911,41 22.911,42 3.981,43 0.112,44 3.951,45 1863,46 4.242,47 13.306,48 4.989,49 3.268,50 15.667,51 229.168,52 550.93,53 0.086,54 84.015,55 106.385,56 23.286,57 462,58 55.267,59 3.668,60 19.518,61 9.848,62 14.186,63 6.111,64 19.353,65 1026,66 3.278,67 37.978,68 3.989,69 18.134,70 6.678}
{0 CHEMBL102346,1 16.668,2 0.131,3 0.214,4 31.638,5 3,6 1.802,7 3,8 2.66,9 1.833,10 17.64,11 3.84,12 2603.75,13 3.881,14 306.049,15 33.764,16 3.762,17 3.757,18 200.977,19 25.833,20 9.216,21 16.167,22 9.439,23 17.64,24 13.275,25 24.162,26 22.14,27 8.056,28 43972.4,29 2.434,30 2.434,31 5.138,32 3,33 4.038,34 0.113,35 0.168,36 600.121,37 24.98,38 24.98,39 24.98,40 24.98,41 24.98,42 3.979,43 0.104,44 4.133,45 2504,46 4.325,47 14.762,48 5.118,49 3.419,50 16.833,51 247.624,52 595.963,53 0.08,54 140.872,55 111.929,56 24.907,57 582,58 59.297,59 3.757,60 20.834,61 11.019,62 15.341,63 6.863,64 20.178,65 1279,66 3.396,67 47.84,68 3.939,69 19.646,70 7.301}
{0 CHEMBL103667,1 11.589,2 0.142,3 0.228,4 36.989,5 1,6 1.737,7 1,8 2.652,9 1.784,10 18.775,11 3.82,12 3002.02,13 3.869,14 411.989,15 35.501,16 3.737,17 3.734,18 220.011,19 26.724,20 8.816,21 15.333,22 9.739,23 18.775,24 14.458,25 27.35,26 23.423,27 8.389,28 52076,29 2.505,30 2.505,31 5.253,32 2,33 4.385,34 0.106,35 0.166,36 704.801,37 26.126,38 26.126,39 26.126,40 26.126,41 26.126,42 4.073,43 0.101,44 4.051,45 3163,46 4.396,47 15.44,48 5.213,49 3.329,50 18.5,51 284.925,52 686.977,53 0.078,54 144.44,55 117.51,56 27.407,57 598,58 65.312,59 3.926,60 22.217,61 11.887,62 17.699,63 7.396,64 23.16,65 1298,66 3.436,67 51.546,68 4.518,69 21.281,70 5.711}
{0 CHEMBL104067,1 10.839,2 0.165,3 0.266,4 30.019,5 2,6 1.67,7 2,8 2.326,9 1.735,10 15.495,11 3.792,12 1942.28,13 3.852,14 329.591,15 30.284,16 3.593,17 3.61,18 170.386,19 22.488,20 7.979,21 13.844,22 7.977,23 15.495,24 11.827,25 22.466,26 19.692,27 7.167,28 29097.6,29 2.355,30 2.355,31 4.968,32 2,33 3.915,34 0.129,35 0.192,36 575.631,37 21.756,38 21.756,39 21.756,40 21.756,41 21.756,42 3.989,43 0.118,44 3.916,45 1754,46 4.198,47 12.586,48 4.925,49 3.258,50 15,51 231.027,52 555.465,53 0.091,54 111.141,55 98.243,56 22.665,57 443,58 52.248,59 3.681,60 18.078,61 9.821,62 13.739,63 5.747,64 18.961,65 951,66 3.308,67 36.539,68 3.881,69 17.114,70 7.046}
{0 CHEMBL104466,1 10.579,2 0.231,3 0.36,4 18.876,5 2,6 1.404,7 2,8 1.579,9 1.444,10 10.69,11 3.535,12 786.084,13 3.573,14 129.482,15 21.745,16 3.335,17 3.364,18 101.497,19 15.623,20 5.703,21 9.909,22 5.59,23 10.69,24 8.129,25 15.317,26 13.827,27 4.972,28 8605.44,29 1.884,30 1.884,31 4.428,32 2,33 3.335,34 0.185,35 0.265,36 416.923,37 15.066,38 15.066,39 15.066,40 15.066,41 15.066,42 3.912,43 0.167,44 3.403,45 572,46 3.83,47 8.803,48 4.392,49 2.777,50 10.2,51 159.802,52 381.678,53 0.128,54 49.766,55 68.22,56 15.527,57 218,58 35.025,59 3.32,60 12.473,61 6.672,62 9.369,63 4.047,64 12.873,65 464,66 2.837,67 18.545,68 3.316,69 11.73,70 6.524}
{0 CHEMBL105442,1 5.118,2 0.234,3 0.36,4 16.843,6 1.379,8 1.964,9 1.429,10 12.286,11 3.841,12 1026.7,13 3.858,14 159.402,15 24.228,16 3.788,17 3.775,18 119.967,19 17.054,20 5.899,21 9.88,22 5.021,23 11.952,24 9.366,25 18.668,26 14.722,27 5.472,28 12430.5,29 2.138,30 2.138,31 4.61,32 1,33 3.646,34 0.156,35 0.249,36 435.952,37 16.499,38 16.499,39 16.499,40 16.499,41 16.499,42 3.945,43 0.153,44 3.422,45 1031,46 3.932,47 9.551,48 4.555,49 2.713,50 12.895,51 181.063,52 433.555,53 0.117,54 104.163,55 92.629,56 18.234,57 247,58 40.142,59 3.435,60 14.337,61 8.055,62 10.984,63 4.509,64 15.827,65 524,66 2.985,67 22.128,68 3.646,69 13.256,70 5}
{0 CHEMBL106966,1 10.794,2 0.169,3 0.271,4 28.493,5 2,6 1.667,7 2,8 2.326,9 1.731,10 15.122,11 3.786,12 1798.37,13 3.845,14 247.193,15 29.457,16 3.59,17 3.607,18 163.017,19 22.161,20 7.71,21 13.71,22 7.889,23 15.122,24 11.402,25 21.016,26 19.239,27 7.056,28 26130.5,29 2.307,30 2.307,31 4.922,32 2,33 3.852,34 0.133,35 0.198,36 523.244,37 21.419,38 21.419,39 21.419,40 21.419,41 21.419,42 3.966,43 0.122,44 3.867,45 1628,46 4.17,47 12.449,48 4.888,49 3.245,50 14.4,51 212.781,52 510.947,53 0.094,54 93.491,55 96.36,56 21.794,57 425,58 51.31,59 3.573,60 17.559,61 9.277,62 13.01,63 5.627,64 17.331,65 916,66 3.249,67 34.728,68 3.771,69 16.573,70 6.114}
{0 CHEMBL1079545,2 0.179,3 0.293,4 27.463,6 1.738,7 1,8 2.404,9 1.78,10 13.719,11 3.849,12 1589.92,13 3.88,14 200.109,15 28.339,16 3.741,17 3.752,18 151.807,19 19.043,20 8.08,21 13.414,22 5.69,23 13.719,24 10.682,25 20.676,26 16.451,27 6.222,28 23206.7,29 2.288,30 2.288,31 4.831,33 3.624,34 0.127,35 0.23,36 520.115,37 18.781,38 18.781,39 18.781,40 18.781,41 18.781,42 3.946,43 0.14,44 3.916,45 1399,46 4.082,47 10.952,48 4.76,49 3.125,50 13.333,51 201.12,52 482.492,53 0.107,54 101.857,55 87.089,56 21.018,57 389,58 47.451,59 3.499,60 15.721,61 8.533,62 13.344,63 5.23,64 16.185,65 818,66 3.25,67 32.473,68 3.56,69 15.302,70 9}
{0 CHEMBL1080994,2 0.149,3 0.236,4 23.292,6 1.824,8 2.491,9 1.847,10 18.651,11 3.918,12 2612.92,13 3.949,14 306.049,15 33.751,16 3.831,17 3.829,18 204.14,19 25.506,20 8.139,21 14.027,22 9.175,23 17.863,24 13.916,25 25.044,26 21.881,27 8.056,28 42765.1,29 2.391,30 2.391,31 5.184,33 4.284,34 0.116,35 0.187,36 622.651,37 25.004,38 25.004,39 25.004,40 25.004,41 25.004,42 4.087,43 0.108,44 3.923,45 2640,46 4.345,47 14.427,48 5.134,49 3.193,50 17.9,51 264.222,52 636.462,53 0.086,54 134.293,55 119.027,56 26.243,57 519,58 63.719,59 3.872,60 20.943,61 10.394,62 16.395,63 6.693,64 21.587,65 1138,66 3.324,67 39.21,68 4.296,69 20.129,70 4.301}
{0 CHEMBL1080995,2 0.152,3 0.24,4 25.718,6 1.843,8 2.524,9 1.865,10 19.062,11 3.936,12 2751.35,13 3.965,14 329.591,15 34.36,16 3.852,17 3.85,18 210.605,19 26.012,20 8.099,21 14,22 9.429,23 18.273,24 14.299,25 26.002,26 22.329,27 8.25,28 45458.7,29 2.403,30 2.403,31 5.222,33 4.389,34 0.113,35 0.183,36 648.728,37 25.504,38 25.504,39 25.504,40 25.504,41 25.504,42 4.088,43 0.106,44 3.914,45 2882,46 4.368,47 14.601,48 5.165,49 3.182,50 18.4,51 273.814,52 659.867,53 0.084,54 134.071,55 121.446,56 27.113,57 532,58 65.244,59 3.908,60 21.419,61 10.628,62 16.923,63 6.764,64 22.509,65 1163,66 3.355,67 40.51,68 4.437,69 20.597,70 4.301}
{0 CHEMBL1081312,2 0.208,3 0.312,4 9.487,6 1.532,8 2.3,9 1.59,10 11.81,11 3.793,12 868.043,13 3.851,14 117.711,15 22.753,16 3.677,17 3.669,18 110.695,19 17.155,20 5.036,21 7.958,22 6.856,23 11.81,24 8.85,25 13.937,26 14.548,27 5.111,28 9735.16,29 1.996,30 1.996,31 4.558,33 3.667,34 0.169,35 0.252,36 355.925,37 16.792,38 16.792,39 16.792,40 16.792,41 16.792,42 4.075,43 0.154,44 3.145,45 760,46 3.945,47 9.779,48 4.543,49 2.44,50 11.3,51 161.014,52 384.635,53 0.12,54 47.442,55 73.909,56 16.096,57 191,58 43.113,59 3.399,60 14.457,61 5.283,62 10.782,63 4.637,64 13.106,65 437,66 2.949,67 17.167,68 3.543,69 13.858,70 6.5}
{0 CHEMBL1081509,2 0.146,3 0.24,4 25.306,6 1.739,7 1,8 2.481,9 1.78,10 15.275,11 3.898,12 2011.14,13 3.929,14 235.422,15 30.852,16 3.769,17 3.784,18 173.376,19 21.313,20 8.8,21 14.844,22 7.208,23 15.275,24 11.792,25 21.69,26 18.298,27 6.806,28 31794.9,29 2.482,30 2.482,31 4.973,33 3.745,34 0.124,35 0.203,36 546.319,37 21.09,38 21.09,39 21.09,40 21.09,41 21.09,42 3.991,43 0.124,44 4.055,45 1752,46 4.193,47 12.292,48 4.918,49 3.265,50 15,51 222.244,52 534.037,53 0.095,54 130.286,55 95.846,56 22.717,57 475,58 53.732,59 3.653,60 17.645,61 8.911,62 14.796,63 5.897,64 17.97,65 1028,66 3.456,67 38.672,68 3.75,69 17.306,70 8.004}
{0 CHEMBL1084546,2 0.176,3 0.278,4 36.58,6 1.731,8 2.514,9 1.756,10 16.097,11 3.884,12 2265.17,13 3.917,14 200.109,15 32.13,16 3.749,17 3.736,18 189.229,19 23.106,20 7.658,21 12.6,22 8.013,23 16.414,24 13.822,25 24.864,26 19.762,27 7.278,28 35659.4,29 2.638,30 2.638,31 5.103,33 3.981,34 0.12,35 0.191,36 545.954,37 22.408,38 22.408,39 22.408,40 22.408,41 22.408,42 4.013,43 0.113,44 3.807,45 2486,46 4.274,47 12.742,48 5.017,49 3.065,50 15.99,51 227.636,52 547.193,53 0.089,54 82.581,55 114.441,56 23.13,57 441,58 58.647,59 3.651,60 20.019,61 9.422,62 16.864,63 6.079,64 19.328,65 939,66 3.543,67 36.485,68 3.967,69 18.766,70 5.7}
{0 CHEMBL1085511,1 5.174,2 0.132,3 0.215,4 24.105,6 1.693,7 1,8 2.531,9 1.749,10 17.885,11 3.876,12 2801.15,13 3.923,14 341.362,15 34.565,16 3.715,17 3.736,18 208.423,19 25.503,20 9.531,21 17.081,22 9.458,23 17.885,24 13.668,25 25.367,26 22.293,27 8.028,28 48201.8,29 2.421,30 2.421,31 5.169,32 1,33 4.042,34 0.114,35 0.168,36 643.075,37 24.947,38 24.947,39 24.947,40 24.947,41 24.947,42 3.979,43 0.103,44 4.206,45 2860,46 4.347,47 14.539,48 5.14,49 3.54,50 17.467,51 265.74,52 640.166,53 0.08,54 127.364,55 112.21,56 25.941,57 632,58 62.277,59 3.842,60 21.095,61 10.991,62 16.457,63 6.908,64 21.516,65 1372,66 3.378,67 60.354,68 4.131,69 20.207,70 7.131}
{0 CHEMBL1087650,2 0.136,3 0.212,4 17.425,6 1.781,8 2.668,9 1.814,10 17.653,11 3.868,12 2382.33,13 3.9,14 270.735,15 32.627,16 3.77,17 3.775,18 194.208,19 25.494,20 7.429,21 12.667,22 11.203,23 17.653,24 13.297,25 21.547,26 21.845,27 7.611,28 36669,29 2.576,30 2.576,31 5.138,33 4.266,34 0.113,35 0.169,36 563.859,37 25.032,38 25.032,39 25.032,40 25.032,41 25.032,42 4.064,43 0.103,44 3.781,45 2416,46 4.346,47 14.531,48 5.124,49 3.058,50 17.233,51 243.9,52 586.877,53 0.08,54 147.19,55 109.592,56 24.225,57 456,58 65.732,59 3.843,60 21.578,61 8.44,62 16.373,63 6.946,64 19.989,65 1048,66 3.53,67 40.784,68 4.281,69 20.8,70 5.183}
{0 CHEMBL1089865,2 0.175,3 0.271,4 22.274,6 1.68,8 2.514,9 1.707,10 14.525,11 3.868,12 1806.35,13 3.913,14 206.487,15 29.5,16 3.753,17 3.749,18 165.633,19 21.654,20 6.738,21 11.5,22 8.501,23 15.346,24 12.013,25 20.595,26 18.89,27 6.806,28 25205.3,29 2.487,30 2.487,31 4.968,33 4.005,34 0.122,35 0.197,36 489.771,37 21.361,38 21.361,39 21.361,40 21.361,41 21.361,42 3.997,43 0.12,44 3.642,45 1628,46 4.196,47 12.02,48 4.912,49 2.966,50 14.838,51 209.384,52 502.658,53 0.094,54 97.504,55 96.986,56 20.828,57 368,58 56.138,59 3.648,60 18.201,61 7.683,62 14.53,63 5.648,64 17.524,65 814,66 3.482,67 32.68,68 3.859,69 17.686,70 5.959}
{0 CHEMBL1091356,1 11.414,2 0.098,3 0.162,4 48.23,6 1.772,8 2.755,9 1.816,10 22.907,11 3.903,12 4769.4,13 3.944,14 334.247,15 41.817,16 3.78,17 3.786,18 284.748,19 33.038,20 11.25,21 19.17,22 12.383,23 22.907,24 17.545,25 32.11,26 29.933,27 10.139,28 100231,29 2.713,30 2.713,31 5.525,32 2,33 4.603,34 0.077,35 0.129,36 820.238,37 32.187,38 32.187,39 32.187,40 32.187,41 32.187,42 4,43 0.078,44 4.412,45 5235,46 4.594,47 18.85,48 5.501,49 3.563,50 22.033,51 332.887,52 804.003,53 0.061,54 102.833,55 144.288,56 32.329,57 901,58 80.664,59 4.095,60 27.538,61 14.346,62 20.907,63 8.978,64 27.23,65 2022,66 3.663,67 74.604,68 4.748,69 26.186,70 4.301}
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{0 CHEMBL1272290,2 0.178,3 0.28,4 26.486,6 1.836,8 2.627,9 1.865,10 17.778,11 3.861,12 2611.56,13 3.894,14 294.278,15 33.643,16 3.796,17 3.792,18 203.516,19 25.124,20 8.072,21 14.162,22 8.74,23 17.778,24 13.699,25 26.301,26 21.779,27 8.222,28 42394,29 2.446,30 2.446,31 5.172,33 4.357,34 0.116,35 0.175,36 664.289,37 24.714,38 24.714,39 24.714,40 24.714,41 24.714,42 3.981,43 0.107,44 3.921,45 3037,46 4.332,47 14.62,48 5.124,49 3.161,50 17.5,51 267.279,52 643.92,53 0.083,54 153.978,55 111.075,56 26.526,57 524,58 61.205,59 3.832,60 20.276,61 11.525,62 16.098,63 6.856,64 21.448,65 1102,66 3.428,67 48.529,68 4.306,69 19.687,70 6.863}
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{0 CHEMBL1289926,2 0.172,3 0.274,4 7.851,6 1.798,8 2.214,9 1.831,10 14.15,11 3.863,12 1418.13,13 3.903,14 188.338,15 27.141,16 3.767,17 3.77,18 142.529,19 19.808,20 7.218,21 12.286,22 6.761,23 13.742,24 10.281,25 18.33,26 16.609,27 6.278,28 19263.3,29 2.009,30 2.009,31 4.775,33 3.752,34 0.146,35 0.211,36 466.205,37 19.438,38 19.438,39 19.438,40 19.438,41 19.438,42 3.935,43 0.131,44 3.752,45 1178,46 4.076,47 11.647,48 4.76,49 3.067,50 13.767,51 199.404,52 478.306,53 0.1,54 131.159,55 89.029,56 19.7,57 344,58 46.139,59 3.596,60 15.815,61 8.322,62 11.851,63 5.468,64 16.033,65 746,66 2.987,67 31.077,68 3.705,69 15.264,70 9.292}
{0 CHEMBL1336,1 5.658,2 0.177,3 0.289,4 27.261,5 1,6 1.77,7 1,8 2.613,9 1.8,10 14.229,11 3.837,12 1989.05,13 3.871,14 153.024,15 30.681,16 3.731,17 3.741,18 172.898,19 21.506,20 8.626,21 14.281,22 6.703,23 15.151,24 12.345,25 23.544,26 18.374,27 6.972,28 31334,29 2.4,30 2.4,31 4.974,32 1,33 3.67,34 0.119,35 0.213,36 514.074,37 20.806,38 20.806,39 20.806,40 20.806,41 20.806,42 3.946,43 0.125,44 4.01,45 1830,46 4.178,47 12.092,48 4.899,49 3.254,50 14.671,51 208.921,52 501.528,53 0.099,54 102.73,55 100.132,56 21.303,57 457,58 51.216,59 3.517,60 17.916,61 10.003,62 14.506,63 5.698,64 17.213,65 952,66 3.332,67 37.637,68 3.61,69 16.717,70 6}
{0 CHEMBL1421,2 0.16,3 0.258,4 32.957,6 1.628,8 2.478,9 1.692,10 16.62,11 3.818,12 2097.49,13 3.859,14 273.063,15 31.192,16 3.722,17 3.706,18 178.143,19 23.048,20 8.272,21 14.515,22 7.523,23 15.923,24 12.193,25 23.984,26 19.929,27 7.278,28 32631.5,29 2.344,30 2.344,31 5.014,33 3.938,34 0.111,35 0.179,36 599.738,37 22.195,38 22.195,39 22.195,40 22.195,41 22.195,42 3.959,43 0.11,44 3.973,45 2001,46 4.224,47 13.115,48 4.971,49 3.242,50 16.014,51 240.898,52 579.551,53 0.084,54 70.851,55 107.355,56 24.225,57 479,58 53.852,59 3.71,60 19.239,61 10.847,62 14.445,63 6.184,64 20.08,65 1026,66 3.261,67 39.278,68 3.905,69 17.742,70 7.201}
{0 CHEMBL1421720,2 0.235,3 0.367,4 10.416,6 1.402,8 1.574,9 1.432,10 9.672,11 3.504,12 486.785,13 3.542,14 105.94,15 18.339,16 3.355,17 3.342,18 77.189,19 12.866,20 5.048,21 8.056,22 3.672,23 8.81,24 6.636,25 11.785,26 10.465,27 3.944,28 4672.51,29 1.532,30 1.532,31 4.145,33 2.917,34 0.22,35 0.312,36 304.931,37 12.378,38 12.378,39 12.378,40 12.378,41 12.378,42 3.884,43 0.195,44 3.182,45 344,46 3.639,47 7.532,48 4.128,49 2.461,50 9.3,51 132.646,52 315.415,53 0.15,54 64.507,55 62.876,56 13.079,57 145,58 29.879,59 3.227,60 10.768,61 5.145,62 7.869,63 3.649,64 11.054,65 319,66 2.461,67 12.123,68 2.932,69 9.938,70 5.8}
{0 CHEMBL14762,2 0.238,3 0.365,4 24.833,6 1.625,8 2.069,9 1.691,10 12.618,11 3.724,12 1102.79,13 3.791,14 176.567,15 24.877,16 3.55,17 3.548,18 126.185,19 18.162,20 5.937,21 9.462,22 5.813,23 12.618,24 9.596,25 18.617,26 15.891,27 5.944,28 13859,29 2.021,30 2.021,31 4.667,33 3.896,34 0.165,35 0.243,36 500.084,37 17.74,38 17.74,39 17.74,40 17.74,41 17.74,42 3.936,43 0.149,44 3.393,45 1070,46 3.986,47 10.529,48 4.628,49 2.676,50 12.233,51 195.115,52 467.841,53 0.115,54 84.375,55 79.084,56 18.518,57 246,58 41.172,59 3.496,60 14.447,61 8.475,62 10.91,63 4.846,64 15.476,65 513,66 2.952,67 24.935,68 4.031,69 13.704,70 5}
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{0 CHEMBL162,1 13.258,2 0.19,3 0.273,4 28.268,6 1.856,8 2.862,9 1.889,10 17.08,11 3.852,12 1821.68,13 3.888,14 247.193,15 29.807,16 3.692,17 3.707,18 176.229,19 25.037,20 5.059,21 8.057,22 14.487,23 17.08,24 13.078,25 20.312,26 21.802,27 7.347,28 24785.1,29 2.505,30 2.505,31 5.104,32 2,33 4.58,34 0.126,35 0.191,36 507.97,37 24.479,38 24.479,39 24.479,40 24.479,41 24.479,42 4.046,43 0.113,44 3.062,45 1554,46 4.332,47 13.618,48 5.058,49 2.248,50 16.6,51 230.101,52 553.206,53 0.09,54 107.713,55 106.923,56 23.637,57 282,58 67.299,59 3.832,60 21.485,61 6.65,62 16.322,63 6.255,64 19.884,65 655,66 3.462,67 25.211,68 4.389,69 20.655,70 8}
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{0 CHEMBL1668413,1 10.627,2 0.308,3 0.47,4 20.208,5 1,6 1.626,7 2,8 1.753,9 1.678,10 12.19,11 3.682,12 967.388,13 3.734,14 223.651,15 23.652,16 3.543,17 3.53,18 118.341,19 16.798,20 5.366,21 8.92,22 4.503,23 11.901,24 9.38,25 20.057,26 15.346,27 5.667,28 11555.4,29 2.034,30 2.034,31 4.627,32 2,33 4.04,34 0.161,35 0.259,36 516.97,37 16.37,38 16.37,39 16.37,40 16.37,41 16.37,42 3.837,43 0.159,44 3.225,45 676,46 3.927,47 9.781,48 4.546,49 2.289,50 11.881,51 191.915,52 460.033,53 0.121,54 38.661,55 78.246,56 18.897,57 223,58 37.611,59 3.488,60 13.375,61 9.441,62 10.698,63 4.591,64 15.473,65 454,66 3.016,67 13.882,68 3.894,69 12.772,70 5.854}
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{0 CHEMBL16699,2 0.266,3 0.389,4 10.17,6 1.551,8 2.196,9 1.61,10 10.059,11 3.566,12 612.576,13 3.617,14 176.567,15 19.846,16 3.417,17 3.427,18 90.803,19 14.212,20 4.319,21 7.143,22 6.951,23 10.059,24 7.74,25 12.659,26 11.631,27 4.389,28 6069.1,29 2.136,30 2.136,31 4.366,33 3.238,34 0.21,35 0.298,36 340.932,37 14.016,38 14.016,39 14.016,40 14.016,41 14.016,42 3.973,43 0.184,44 2.917,45 438,46 3.799,47 7.834,48 4.303,49 2.244,50 10.133,51 149.488,52 356.512,53 0.143,54 83.946,55 62.034,56 14.723,57 150,58 37.898,59 3.357,60 12.149,61 4.215,62 9.783,63 3.728,64 12.411,65 333,66 3.07,67 12.327,68 2.927,69 11.817,70 6.155}
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{0 CHEMBL1721885,1 5.301,2 0.169,3 0.27,4 27.43,6 1.672,8 2.351,9 1.708,10 14.936,11 3.828,12 1916.02,13 3.888,14 285.695,15 30.254,16 3.614,17 3.629,18 169.78,19 21.716,20 7.755,21 13.219,22 7.72,23 15.329,24 11.977,25 22.679,26 19.391,27 6.944,28 28585.6,29 2.293,30 2.293,31 4.969,32 1,33 3.982,34 0.124,35 0.196,36 558.306,37 21.223,38 21.223,39 21.223,40 21.223,41 21.223,42 3.971,43 0.121,44 3.863,45 1848,46 4.192,47 12.368,48 4.914,49 3.082,50 14.719,51 222.762,52 535.299,53 0.093,54 58.68,55 97.458,56 21.957,57 423,58 53.6,59 3.66,60 18.022,61 9.549,62 14.264,63 5.9,64 18.127,65 916,66 3.262,67 36,68 3.971,69 17.25,70 8.959}
{0 CHEMBL1727312,2 0.324,3 0.468,4 14.962,6 1.172,8 1.478,9 1.207,10 7.843,11 3.314,12 312.203,13 3.35,14 94.169,15 15.539,16 3.095,17 3.126,18 61.927,19 11.15,20 3.602,21 5.75,22 4.384,23 7.843,24 5.888,25 9.278,26 9.474,27 3.5,28 2618.89,29 1.434,30 1.434,31 3.98,33 2.115,34 0.223,35 0.362,36 247.306,37 11.069,38 11.069,39 11.069,40 11.069,41 11.069,42 3.824,43 0.226,44 2.602,45 154,46 3.537,47 6.62,48 3.954,49 1.805,50 7.633,51 110.384,52 261.096,53 0.172,54 75.81,55 48.454,56 10.958,57 92,58 27.011,59 3.019,60 9.045,61 3.56,62 6.962,63 3.15,64 8.527,65 203,66 2.425,67 7.172,68 1.458,69 8.91,70 4.4}
{0 CHEMBL1765715,2 0.165,3 0.265,4 22.039,6 1.845,8 2.487,9 1.875,10 15.472,11 3.882,12 1799.78,13 3.912,14 211.88,15 29.565,16 3.813,17 3.814,18 163.407,19 21.596,20 7.728,21 13.613,22 7.372,23 15.119,24 11.383,25 20.828,26 18.244,27 6.917,28 26464.2,29 2.323,30 2.323,31 4.924,33 3.883,34 0.116,35 0.182,36 523.747,37 21.248,38 21.248,39 21.248,40 21.248,41 21.248,42 3.963,43 0.116,44 3.87,45 1758,46 4.17,47 12.666,48 4.899,49 3.244,50 15.048,51 219.657,52 527.724,53 0.087,54 130.73,55 97.356,56 22.131,57 422,58 50.427,59 3.645,60 17.334,61 9.587,62 13.245,63 5.977,64 17.596,65 914,66 3.269,67 33.617,68 3.927,69 16.737,70 6.857}
{0 CHEMBL1765716,2 0.165,3 0.265,4 22.82,6 1.845,8 2.487,9 1.875,10 15.119,11 3.883,12 1799.78,13 3.916,14 211.88,15 29.565,16 3.813,17 3.814,18 163.407,19 21.538,20 7.728,21 13.613,22 7.372,23 15.119,24 11.383,25 20.517,26 18.244,27 6.917,28 26464.2,29 2.323,30 2.323,31 4.924,33 3.884,34 0.116,35 0.182,36 516.752,37 21.248,38 21.248,39 21.248,40 21.248,41 21.248,42 3.967,43 0.116,44 3.87,45 1758,46 4.17,47 12.666,48 4.899,49 3.244,50 14.733,51 218.119,52 523.97,53 0.087,54 130.73,55 93.821,56 21.631,57 422,58 50.427,59 3.641,60 17.208,61 9.373,62 13.245,63 5.977,64 17.04,65 914,66 3.272,67 33.617,68 3.927,69 16.737,70 5.812}
{0 CHEMBL1765717,2 0.151,3 0.246,4 25.759,6 1.845,8 2.74,9 1.876,10 17.366,11 3.886,12 2445.02,13 3.919,14 235.422,15 33.007,16 3.813,17 3.815,18 193.789,19 24.189,20 9.004,21 15.943,22 7.99,23 17.012,24 12.87,25 24.336,26 20.659,27 7.833,28 40592.3,29 2.349,30 2.349,31 5.095,33 4.027,34 0.104,35 0.163,36 597.256,37 23.817,38 23.817,39 23.817,40 23.817,41 23.817,42 3.969,43 0.103,44 4.109,45 2512,46 4.284,47 14.245,48 5.07,49 3.421,50 16.781,51 246.705,52 593.721,53 0.078,54 130.73,55 109.751,56 25.123,57 558,58 55.988,59 3.737,60 19.322,61 11.563,62 14.928,63 6.752,64 19.712,65 1195,66 3.294,67 47.554,68 4.032,69 18.703,70 5.967}
{0 CHEMBL1765718,2 0.147,3 0.241,4 26.558,6 1.845,8 2.765,9 1.876,10 17.512,11 3.886,12 2624.99,13 3.919,14 270.735,15 33.862,16 3.813,17 3.815,18 201.593,19 24.832,20 9.338,21 16.667,22 8.1,23 17.512,24 13.244,25 24.776,26 21.02,27 8.083,28 44876,29 2.353,30 2.353,31 5.135,33 4.076,34 0.102,35 0.159,36 618.348,37 24.524,38 24.524,39 24.524,40 24.524,41 24.524,42 3.97,43 0.101,44 4.167,45 2764,46 4.312,47 14.844,48 5.112,49 3.51,50 17.067,51 254.63,52 613.056,53 0.076,54 158.508,55 108.862,56 25.33,57 600,58 57.947,59 3.781,60 19.715,61 11.876,62 15.308,63 7.035,64 20.025,65 1283,66 3.312,67 51.617,68 4.117,69 19.241,70 5.311}
{0 CHEMBL1765719,2 0.148,3 0.242,4 26.497,6 1.845,8 2.769,9 1.876,10 17.385,11 3.887,12 2613.7,13 3.92,14 270.735,15 33.809,16 3.813,17 3.815,18 201.385,19 24.465,20 9.267,21 16.083,22 8.034,23 17.385,24 13.242,25 24.776,26 20.851,27 7.944,28 44585.2,29 2.413,30 2.413,31 5.137,33 4.089,34 0.102,35 0.159,36 618.348,37 24.154,38 24.154,39 24.154,40 24.154,41 24.154,42 3.97,43 0.101,44 4.149,45 2734,46 4.309,47 14.354,48 5.102,49 3.433,50 17.067,51 254.63,52 613.056,53 0.076,54 139.555,55 108.098,56 25.493,57 579,58 58.521,59 3.781,60 19.708,61 11.393,62 15.635,63 6.847,64 20.078,65 1236,66 3.396,67 50.599,68 4.121,69 19.234,70 5.386}
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{0 CHEMBL179522,1 16.666,2 0.156,3 0.254,4 27.009,5 3,6 1.829,7 3,8 2.712,9 1.853,10 15.157,11 3.873,12 2096.47,13 3.899,14 230.029,15 31.238,16 3.795,17 3.797,18 178.586,19 23.088,20 8.405,21 14.121,22 8.388,23 15.961,24 12.2,25 22.616,26 19.392,27 7.361,28 32972.9,29 2.338,30 2.338,31 5.017,32 3,33 3.854,34 0.125,35 0.183,36 520.279,37 22.359,38 22.359,39 22.359,40 22.359,41 22.359,42 3.971,43 0.114,44 3.971,45 1922,46 4.227,47 13.059,48 4.971,49 3.242,50 15.105,51 215.049,52 516.478,53 0.087,54 125.576,55 102.394,56 21.631,57 466,58 53.125,59 3.598,60 18.698,61 9.922,62 14.278,63 6.062,64 17.687,65 1000,66 3.29,67 37.658,68 3.761,69 17.652,70 8.328}
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{0 CHEMBL1968705,1 6.138,2 0.135,3 0.212,4 29.259,5 1,6 1.848,7 1,8 2.741,9 1.872,10 19.64,11 3.89,12 3100.98,13 3.926,14 308.377,15 36.027,16 3.817,17 3.817,18 225.694,19 28.294,20 8.513,21 14.2,22 9.877,23 19.64,24 14.803,25 26.394,26 24.597,27 8.778,28 54303.4,29 2.495,30 2.495,31 5.283,32 1,33 4.429,34 0.101,35 0.146,36 661.741,37 27.781,38 27.781,39 27.781,40 27.781,41 27.781,42 4.08,43 0.091,44 3.976,45 3954,46 4.436,47 16.696,48 5.28,49 3.295,50 18.967,51 281.269,52 678.056,53 0.07,54 115.759,55 122.528,56 27.313,57 568,58 66.705,59 3.932,60 23.127,61 12.135,62 17.464,63 7.962,64 22.613,65 1255,66 3.461,67 57.585,68 4.514,69 22.289,70 5.7}
{0 CHEMBL1968868,2 0.215,3 0.339,4 19.502,6 1.487,8 2.371,9 1.522,10 11.152,11 3.61,12 1169.2,13 3.65,14 94.169,15 25.204,16 3.443,17 3.463,18 128.014,19 17.561,20 6.52,21 10.962,22 5.908,23 12.364,24 10.001,25 17.509,26 14.891,27 5.639,28 14738.3,29 2.05,30 2.05,31 4.672,33 3.316,34 0.16,35 0.254,36 384.608,37 17.082,38 17.082,39 17.082,40 17.082,41 17.082,42 3.935,43 0.151,44 3.598,45 1020,46 3.982,47 9.925,48 4.606,49 2.888,50 11.69,51 161.021,52 384.651,53 0.119,54 75.381,55 79.041,56 16.234,57 285,58 43.731,59 3.279,60 14.647,61 6.896,62 11.874,63 4.649,64 13.003,65 600,66 3.002,67 24.036,68 3.254,69 13.783,70 5.6}
{0 CHEMBL1969151,2 0.189,3 0.296,4 17.604,6 1.679,8 2.208,9 1.723,10 12.886,11 3.761,12 1157.82,13 3.813,14 153.024,15 25.124,16 3.611,17 3.627,18 127.384,19 18.161,20 6.355,21 10.808,22 6.494,23 12.597,24 9.595,25 17.564,26 15.759,27 5.611,28 14397,29 2.125,30 2.125,31 4.671,33 3.649,34 0.156,35 0.232,36 463.275,37 17.602,38 17.602,39 17.602,40 17.602,41 17.602,42 3.979,43 0.143,44 3.563,45 986,46 4.002,47 10.328,48 4.637,49 2.907,50 12.614,51 192.058,52 460.382,53 0.109,54 66.441,55 81.637,56 18.596,57 281,58 44.067,59 3.521,60 15.305,61 7.414,62 11.649,63 4.929,64 15.793,65 616,66 3.037,67 22.692,68 3.689,69 14.343,70 5.6}
{0 CHEMBL1969156,2 0.311,3 0.454,4 3.162,6 1.252,8 1.5,9 1.309,10 7.86,11 3.283,12 327.127,13 3.361,14 94.169,15 15.739,16 3.08,17 3.102,18 62.635,19 11.369,20 3.819,21 6.25,22 4.194,23 7.86,24 5.839,25 9.218,26 9.231,27 3.528,28 2739.22,29 1.329,30 1.329,31 3.976,33 2.406,34 0.257,35 0.382,36 246.433,37 11.121,38 11.121,39 11.121,40 11.121,41 11.121,42 3.859,43 0.231,44 2.726,45 240,46 3.533,47 6.658,48 3.954,49 2.127,50 7.6,51 110.384,52 261.096,53 0.179,54 76.239,55 48.858,56 10.958,57 100,58 27.376,59 2.972,60 9.324,61 3.524,62 6.885,63 3.145,64 8.538,65 219,66 2.298,67 7.875,68 1.921,69 8.899,70 4.2}
{0 CHEMBL1969664,1 5.367,2 0.19,3 0.299,4 16.484,6 1.624,8 2.194,9 1.679,10 12.242,11 3.72,12 1061.03,13 3.77,14 188.338,15 24.372,16 3.526,17 3.54,18 120.908,19 17.744,20 6.262,21 10.76,22 6.725,23 12.242,24 9.216,25 15.952,26 15.382,27 5.528,28 12822.2,29 2.09,30 2.09,31 4.612,32 1,33 3.374,34 0.166,35 0.247,36 415.338,37 17.317,38 17.317,39 17.317,40 17.317,41 17.317,42 3.934,43 0.152,44 3.537,45 895,46 3.968,47 10.251,48 4.592,49 2.919,50 11.767,51 172.274,52 412.11,53 0.117,54 59.553,55 76.855,56 17.225,57 269,58 43.118,59 3.43,60 14.474,61 6.755,62 10.822,63 4.835,64 13.697,65 593,66 3.06,67 23.232,68 3.238,69 13.793,70 5.6}
{0 CHEMBL1969942,2 0.164,3 0.265,4 13.35,6 1.76,8 2.301,9 1.787,10 12.276,11 3.86,12 1214.74,13 3.894,14 156.213,15 25.722,16 3.778,17 3.781,18 130.088,19 17.981,20 7.165,21 11.846,22 6.074,23 12.67,24 9.565,25 16.308,26 15.028,27 5.639,28 15890.8,29 2.113,30 2.113,31 4.673,33 3.412,34 0.151,35 0.217,36 393.991,37 17.756,38 17.756,39 17.756,40 17.756,41 17.756,42 3.963,43 0.138,44 3.738,45 982,46 4.004,47 10.539,48 4.65,49 2.969,50 12.219,51 173.214,52 414.402,53 0.104,54 113.286,55 79.233,56 17.062,57 308,58 43.529,59 3.44,60 14.729,61 6.984,62 11.519,63 5.058,64 13.662,65 682,66 3.078,67 25.982,68 3.389,69 14.358,70 6.2}
{0 CHEMBL1970290,2 0.168,3 0.267,4 34.059,6 1.737,8 2.548,9 1.784,10 18.689,11 3.84,12 2966.32,13 3.884,14 341.362,15 35.344,16 3.738,17 3.741,18 219.299,19 26.423,20 8.596,21 14.538,22 8.757,23 18.689,24 14.467,25 28.5,26 23.255,27 8.639,28 51274.1,29 2.443,30 2.443,31 5.252,33 4.359,34 0.106,35 0.17,36 732.049,37 26.004,38 26.004,39 26.004,40 26.004,41 26.004,42 4.074,43 0.104,44 4.003,45 3519,46 4.382,47 15.231,48 5.198,49 3.224,50 18.567,51 292.189,52 704.701,53 0.08,54 162.742,55 116.119,56 27.993,57 567,58 63.104,59 3.929,60 21.189,61 12.565,62 17.212,63 7.068,64 23.415,65 1198,66 3.373,67 51.428,68 4.47,69 20.62,70 6.6}
{0 CHEMBL1970317,2 0.145,3 0.233,4 19.675,6 1.824,8 2.772,9 1.843,10 16.035,11 3.895,12 2078.24,13 3.936,14 191.527,15 31.095,16 3.8,17 3.802,18 177.318,19 22.806,20 8.116,21 13.909,22 8.474,23 15.974,24 12.151,25 21.407,26 18.956,27 7.083,28 31831.2,29 2.4,30 2.4,31 5.013,33 3.87,34 0.128,35 0.19,36 508.39,37 22.325,38 22.325,39 22.325,40 22.325,41 22.325,42 3.97,43 0.116,44 3.936,45 1957,46 4.238,47 13.003,48 4.979,49 3.268,50 15.852,51 223.055,52 536.013,53 0.09,54 120.774,55 104.541,56 22.432,57 459,58 56.593,59 3.698,60 19.089,61 8.831,62 14.874,63 6.212,64 18.358,65 1015,66 3.363,67 39.743,68 3.892,69 18.286,70 7.3}
{0 CHEMBL1970340,2 0.306,3 0.447,4 5.319,6 1.226,7 1,8 1.648,9 1.281,10 8.254,11 3.353,12 370.535,13 3.414,14 82.398,15 16.578,16 3.156,17 3.178,18 68.232,19 11.669,20 3.93,21 5.882,22 4.47,23 8.254,24 6.208,25 10.173,26 9.654,27 3.694,28 3298.05,29 1.474,30 1.474,31 4.065,33 2.465,34 0.243,35 0.362,36 269.751,37 11.569,38 11.569,39 11.569,40 11.569,41 11.569,42 3.851,43 0.222,44 2.725,45 293,46 3.586,47 6.781,48 4.023,49 1.904,50 7.967,51 114.38,52 270.847,53 0.17,54 66.334,55 51.753,56 11.828,57 100,58 29.188,59 3.033,60 9.551,61 3.786,62 7.519,63 3.2,64 8.921,65 217,66 2.46,67 8.339,68 1.695,69 9.382,70 5.2}
{0 CHEMBL1970352,1 5.302,2 0.245,3 0.361,4 15.179,6 1.646,7 1,8 2.316,9 1.664,10 13.89,11 3.736,12 1109.63,13 3.756,14 164.795,15 24.861,16 3.696,17 3.666,18 128.7,19 18.817,20 5.166,21 8.37,22 7.93,23 13.024,24 10.006,25 18.318,26 15.662,27 5.944,28 13426.3,29 2.069,30 2.069,31 4.721,32 1,33 4.025,34 0.167,35 0.244,36 472.56,37 18.267,38 18.267,39 18.267,40 18.267,41 18.267,42 3.909,43 0.149,44 3.161,45 1034,46 4.035,47 10.639,48 4.668,49 2.476,50 14.043,51 199.322,52 478.106,53 0.116,54 161.618,55 94.275,56 20.629,57 226,58 46.103,59 3.594,60 15.645,61 7.167,62 11.866,63 4.937,64 17.15,65 485,66 3.014,67 21.811,68 4.023,69 14.749,70 5.6}
{0 CHEMBL1971132,1 5.55,2 0.181,3 0.296,4 22.918,5 1,6 1.735,7 1,8 2.064,9 1.776,10 11.097,11 3.809,12 1246.67,13 3.842,14 200.109,15 25.935,16 3.669,17 3.678,18 131.57,19 17.333,20 7.633,21 12.615,22 5.412,23 12.309,24 10.038,25 18.592,26 15.275,27 5.528,28 16829.5,29 2.232,30 2.232,31 4.67,32 1,33 3.434,34 0.138,35 0.254,36 437.131,37 16.867,38 16.867,39 16.867,40 16.867,41 16.867,42 3.956,43 0.149,44 3.836,45 1064,46 3.977,47 9.806,48 4.606,49 3.09,50 11.757,51 172.731,52 413.223,53 0.119,54 78.934,55 78.777,56 16.234,57 328,58 42.418,59 3.411,60 14.687,61 7.587,62 12.137,63 4.704,64 13.869,65 692,66 3.186,67 28.379,68 3.346,69 13.841,70 6.4}
{0 CHEMBL1971289,1 5.251,2 0.302,3 0.465,4 12.825,5 1,6 1.347,7 1,8 1.159,9 1.399,10 9.005,11 3.465,12 484.403,13 3.534,14 70.627,15 18.132,16 3.261,17 3.251,18 76.672,19 12.415,20 4.912,21 8.389,22 3.561,23 8.597,24 6.619,25 12.988,26 10.656,27 4.056,28 4567.59,29 1.488,30 1.488,31 4.138,32 1,33 2.729,34 0.209,35 0.327,36 333.37,37 11.886,38 11.886,39 11.886,40 11.886,41 11.886,42 3.735,43 0.207,44 3.166,45 366,46 3.61,47 7.079,48 4.076,49 2.53,50 8.633,51 130.236,52 309.535,53 0.157,54 46.73,55 58.422,56 13.475,57 151,58 28.276,59 3.094,60 10.122,61 5.459,62 7.755,63 3.299,64 10.505,65 310,66 2.452,67 12.741,68 2.471,69 9.337,70 5.6}
{0 CHEMBL1971606,1 5.653,2 0.193,3 0.311,4 15.727,5 1,6 1.679,7 1,8 2.005,9 1.711,10 13.169,11 3.756,12 1441.41,13 3.79,14 215.069,15 27.28,16 3.638,17 3.65,18 143.389,19 19.283,20 7.438,21 13,22 6.097,23 13.58,24 10.377,25 19.879,26 16.736,27 6.361,28 19838.9,29 2.081,30 2.081,31 4.777,32 1,33 3.703,34 0.135,35 0.215,36 504.835,37 18.991,38 18.991,39 18.991,40 18.991,41 18.991,42 3.955,43 0.133,44 3.813,45 1290,46 4.056,47 11.5,48 4.74,49 3.128,50 13.252,51 202.719,52 486.395,53 0.1,54 121.031,55 84.738,56 19.062,57 364,58 44.156,59 3.578,60 15.233,61 9.364,62 11.726,63 5.394,64 15.984,65 769,66 3.047,67 30.51,68 3.705,69 14.759,70 5.6}
{0 CHEMBL1971785,1 4.477,2 0.375,3 0.545,4 7.628,6 1.035,7 1,8 0.162,9 1.077,10 7.182,11 3.185,12 281.482,13 3.221,14 58.856,15 14.834,16 2.888,17 2.937,18 57.29,19 10.066,20 3.711,21 6.133,22 3.039,23 7.182,24 5.513,25 9.776,26 8.617,27 3.333,28 2271.58,29 1.335,30 1.335,31 3.881,32 1,33 1.914,34 0.251,35 0.42,36 252.757,37 9.914,38 9.914,39 9.914,40 9.914,41 9.914,42 3.72,43 0.257,44 2.681,45 216,46 3.438,47 5.921,48 3.82,49 2.106,50 6.9,51 102.718,52 242.392,53 0.196,54 56.206,55 45.469,56 10.836,57 92,58 24.158,59 2.854,60 8.095,61 3.771,62 6.507,63 2.806,64 8.111,65 190,66 2.339,67 7.227,68 1.016,69 7.895,70 4.2}
{0 CHEMBL1971943,1 5.531,2 0.186,3 0.292,4 23.916,5 1,6 1.659,7 1,8 2.481,9 1.696,10 12.869,11 3.796,12 1353.15,13 3.835,14 135.86,15 26.71,16 3.64,17 3.663,18 140.577,19 19.246,20 6.64,21 10.464,22 6.717,23 13.402,24 10.369,25 18.566,26 15.717,27 5.972,28 17945.4,29 2.066,30 2.066,31 4.781,32 1,33 3.641,34 0.148,35 0.219,36 415.142,37 18.549,38 18.549,39 18.549,40 18.549,41 18.549,42 3.981,43 0.134,44 3.58,45 1158,46 4.067,47 10.694,48 4.723,49 2.691,50 13.019,51 180.076,52 431.146,53 0.103,54 64.825,55 88.557,56 18.596,57 293,58 47.392,59 3.402,60 16.581,61 7.319,62 12.794,63 5.107,64 15.181,65 640,66 3.006,67 26.214,68 3.265,69 15.316,70 5.6}
{0 CHEMBL1972220,1 4.3,2 0.131,3 0.214,4 23.98,5 1,6 1.825,7 1,8 2.861,9 1.844,10 18.005,11 3.905,12 2962.61,13 3.942,14 200.109,15 35.251,16 3.803,17 3.806,18 215.764,19 26.611,20 9.628,21 17.316,22 9.453,23 18.406,24 14.08,25 26.04,26 22.5,27 8.333,28 52098.5,29 2.476,30 2.476,31 5.212,32 1,33 4.02,34 0.113,35 0.167,36 600.58,37 25.764,38 25.764,39 25.764,40 25.764,41 25.764,42 3.973,43 0.102,44 4.214,45 3062,46 4.371,47 15.226,48 5.18,49 3.514,50 17.805,51 251.43,52 605.249,53 0.079,54 112.378,55 121.437,56 25.424,57 658,58 63.474,59 3.784,60 22.125,61 11.434,62 16.802,63 7.193,64 20.583,65 1430,66 3.419,67 56.039,68 4.074,69 20.734,70 8.6}
{0 CHEMBL1972346,2 0.282,3 0.442,4 7.232,6 1.286,8 1.119,9 1.315,10 8.542,11 3.34,12 485.377,13 3.367,14 94.169,15 18.262,16 3.226,17 3.228,18 77.35,19 11.819,20 5.069,21 8.111,22 3.408,23 8.542,24 6.593,25 12.482,26 9.935,27 3.944,28 4711.18,29 1.879,30 1.879,31 4.147,33 2.932,34 0.206,35 0.313,36 347.083,37 11.671,38 11.671,39 11.671,40 11.671,41 11.671,42 3.87,43 0.201,44 3.172,45 336,46 3.611,47 6.867,48 4.076,49 2.461,50 8.333,51 125.77,52 298.638,53 0.149,54 75.81,55 53.56,56 13.121,57 146,58 28.457,59 3.071,60 9.665,61 5.121,62 7.994,63 3.3,64 9.408,65 301,66 2.816,67 11.111,68 2.761,69 9.367,70 6}
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{0 CHEMBL1973013,2 0.304,3 0.466,4 21.369,6 1.499,8 1.07,9 1.532,10 9.527,11 3.587,12 475.7,13 3.656,14 70.627,15 18.087,16 3.446,17 3.427,18 76.528,19 12.352,20 4.812,21 7.778,22 3.44,23 8.542,24 6.588,25 13.686,26 10.248,27 3.944,28 4535.35,29 1.79,30 1.79,31 4.14,33 3.069,34 0.207,35 0.322,36 358.575,37 11.671,38 11.671,39 11.671,40 11.671,41 11.671,42 3.815,43 0.201,44 3.109,45 390,46 3.609,47 6.935,48 4.076,49 2.489,50 9.667,51 143.879,52 342.824,53 0.154,54 44.57,55 65.837,56 14.475,57 140,58 28.52,59 3.149,60 10.63,61 5.934,62 8.066,63 3.351,64 12.762,65 286,66 2.681,67 12.185,68 3.127,69 9.394,70 5.6}
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{0 CHEMBL1975212,2 0.311,3 0.454,4 3.162,6 1.344,8 1.5,9 1.348,10 8.314,11 3.282,12 327.127,13 3.334,14 82.398,15 15.739,16 3.148,17 3.132,18 62.635,19 11.453,20 3.819,21 6.25,22 4.194,23 7.86,24 5.851,25 9.58,26 9.231,27 3.528,28 2739.22,29 1.329,30 1.329,31 3.976,33 2.279,34 0.257,35 0.382,36 255.382,37 11.121,38 11.121,39 11.121,40 11.121,41 11.121,42 3.842,43 0.233,44 2.726,45 240,46 3.533,47 6.658,48 3.954,49 2.127,50 8.033,51 114.72,52 271.678,53 0.179,54 63.649,55 52.899,56 11.311,57 100,58 27.376,59 3.071,60 9.432,61 3.742,62 6.885,63 3.145,64 9.238,65 219,66 2.283,67 7.875,68 1.769,69 8.899,70 6.3}
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{0 CHEMBL1977138,2 0.189,3 0.296,4 20.6,6 1.688,8 2.157,9 1.738,10 12.742,11 3.78,12 1251.11,13 3.829,14 144.442,15 25.869,16 3.622,17 3.648,18 133.794,19 18.925,20 6.421,21 10.852,22 6.725,23 13.152,24 9.92,25 16.997,26 15.863,27 5.972,28 16009.5,29 2.14,30 2.14,31 4.729,33 3.564,34 0.152,35 0.224,36 423.992,37 18.524,38 18.524,39 18.524,40 18.524,41 18.524,42 3.979,43 0.137,44 3.564,45 1067,46 4.038,47 10.86,48 4.694,49 2.876,50 12.686,51 179.879,52 430.664,53 0.106,54 103.771,55 82.441,56 17.933,57 293,58 46.654,59 3.446,60 15.453,61 7.052,62 11.684,63 5.067,64 14.465,65 639,66 3.094,67 23.465,68 3.534,69 14.748,70 5.8}
{0 CHEMBL1977634,1 5.31,2 0.179,3 0.282,4 24.445,5 1,6 1.737,7 1,8 2.656,9 1.784,10 16.63,11 3.815,12 2276.93,13 3.845,14 270.735,15 32.148,16 3.719,17 3.72,18 189.019,19 23.101,20 7.666,21 12.914,22 8.448,23 16.63,24 12.979,25 24.336,26 20.008,27 7.5,28 35586.3,29 2.505,30 2.505,31 5.096,32 1,33 4.139,34 0.118,35 0.188,36 607.26,37 22.902,38 22.902,39 22.902,40 22.902,41 22.902,42 4.071,43 0.114,44 3.827,45 2507,46 4.277,47 13.285,48 5.033,49 3.086,50 16.433,51 245.296,52 590.282,53 0.089,54 141.967,55 104.063,56 25.165,57 452,58 59.091,59 3.758,60 19.063,61 9.828,62 16.086,63 6.318,64 19.74,65 963,66 3.462,67 40.682,68 4.191,69 18.745,70 5.6}
{0 CHEMBL1977749,1 6.055,2 0.275,3 0.411,4 14.769,5 1,6 1.515,7 2,8 1.61,9 1.561,10 10.33,11 3.563,12 639.328,13 3.611,14 164.795,15 20.295,16 3.453,17 3.447,18 92.608,19 14.893,20 4.718,21 7.714,22 5.599,23 10.33,24 7.688,25 13.5,26 12.561,27 4.861,28 6629.63,29 1.618,30 1.618,31 4.362,32 1,33 3.4,34 0.182,35 0.293,36 367.713,37 14.723,38 14.723,39 14.723,40 14.723,41 14.723,42 3.89,43 0.181,44 3.044,45 504,46 3.789,47 8.937,48 4.338,49 2.398,50 10.067,51 149.693,52 357.01,53 0.139,54 94.762,55 64.061,56 14.656,57 162,58 34.337,59 3.308,60 11.54,61 5.878,62 8.605,63 4.07,64 11.49,65 345,66 2.581,67 14.095,68 3.283,69 11.29,70 5.6}
{0 CHEMBL1977931,2 0.303,3 0.443,4 2.428,6 1.394,8 1.5,9 1.463,10 8.771,11 3.415,12 418.718,13 3.46,14 117.711,15 17.439,16 3.236,17 3.241,18 73.873,19 12.472,20 4.026,21 5.889,22 4.58,23 8.771,24 6.606,25 10.818,26 10.338,27 3.972,28 3920.81,29 1.548,30 1.548,31 4.148,33 2.77,34 0.227,35 0.342,36 285.635,37 12.328,38 12.328,39 12.328,40 12.328,41 12.328,42 3.903,43 0.21,44 2.737,45 334,46 3.64,47 7.312,48 4.109,49 1.891,50 8.533,51 123.843,52 293.937,53 0.16,54 73.872,55 54.565,56 12.535,57 106,58 30.612,59 3.102,60 10.103,61 4.171,62 7.806,63 3.408,64 9.844,65 228,66 2.479,67 8.889,68 2.084,69 9.877,70 4.5}
{0 CHEMBL1978166,2 0.14,3 0.231,4 22.195,6 1.829,8 2.597,9 1.851,10 19,11 3.849,12 3043.62,13 3.882,14 317.82,15 35.766,16 3.789,17 3.782,18 218.223,19 26.401,20 10.359,21 18.553,22 8.465,23 18.546,24 14.033,25 27.792,26 22.958,27 8.639,28 55856,29 2.234,30 2.234,31 5.204,33 4.133,34 0.115,35 0.17,36 699.805,37 26.043,38 26.043,39 26.043,40 26.043,41 26.043,42 3.969,43 0.104,44 4.329,45 3548,46 4.364,47 16.121,48 5.192,49 3.645,50 18.667,51 289.602,52 698.389,53 0.08,54 101.332,55 118.308,56 27.098,57 705,58 60.183,59 3.955,60 20.852,61 14.066,62 15.909,63 7.724,64 22.665,65 1491,66 3.211,67 69.269,68 4.251,69 20.274,70 7.7}
{0 CHEMBL1978167,2 0.239,3 0.359,4 4.806,6 1.615,8 2.072,9 1.665,10 10.298,11 3.469,12 580.393,13 3.526,14 117.711,15 19.445,16 3.369,17 3.355,18 86.626,19 14.121,20 4.649,21 7.8,22 5.912,23 9.72,24 7.33,25 11.975,26 11.37,27 4.222,28 5686.91,29 1.889,30 1.889,31 4.296,33 3.074,34 0.203,35 0.298,36 306.938,37 13.671,38 13.671,39 13.671,40 13.671,41 13.671,42 4.038,43 0.184,44 3.055,45 428,46 3.758,47 7.891,48 4.262,49 2.423,50 10.433,51 140.754,52 335.199,53 0.142,54 75.772,55 68.624,56 14.69,57 156,58 36.055,59 3.235,60 12.2,61 4.351,62 9.159,63 3.779,64 12.347,65 350,66 2.843,67 12.54,68 2.934,69 11.381,70 5.6}
{0 CHEMBL1978195,2 0.276,3 0.414,4 4.468,6 1.538,8 1.5,9 1.535,10 10.133,11 3.473,12 519.437,13 3.513,14 82.398,15 18.624,16 3.314,17 3.313,18 80.946,19 13.089,20 4.575,21 7.684,22 4.894,23 9.148,24 6.964,25 12.61,26 10.737,27 4.111,28 4946.57,29 1.505,30 1.505,31 4.218,33 2.906,34 0.218,35 0.32,36 318.741,37 12.723,38 12.723,39 12.723,40 12.723,41 12.723,42 3.847,43 0.198,44 3.038,45 405,46 3.688,47 7.396,48 4.171,49 2.42,50 10.3,51 140.093,52 333.588,53 0.152,54 65.476,55 68.707,56 14.759,57 146,58 32.434,59 3.239,60 11.055,61 4.93,62 8.514,63 3.509,64 12.163,65 312,66 2.455,67 12.188,68 2.722,69 10.36,70 5.6}
{0 CHEMBL1978271,1 5.191,2 0.169,3 0.268,4 30.234,6 1.737,8 2.546,9 1.784,10 18.257,11 3.836,12 2810.98,13 3.872,14 341.362,15 34.67,16 3.738,17 3.74,18 212.086,19 25.824,20 8.498,21 15.079,22 8.747,23 18.257,24 14.074,25 27.488,26 22.644,27 8.389,28 47593.3,29 2.382,30 2.382,31 5.211,32 1,33 4.296,34 0.108,35 0.174,36 697.198,37 25.394,38 25.394,39 25.394,40 25.394,41 25.394,42 4.074,43 0.106,44 3.999,45 3310,46 4.359,47 15.304,48 5.168,49 3.337,50 17.833,51 274.202,52 660.814,53 0.082,54 141.967,55 114.622,56 27.123,57 573,58 61.606,59 3.855,60 20.935,61 12.332,62 16.801,63 7.284,64 21.823,65 1216,66 3.359,67 50.216,68 4.378,69 20.264,70 6}
{0 CHEMBL1978371,2 0.224,3 0.336,4 13.617,6 1.854,8 2.291,9 1.877,10 14.885,11 3.873,12 1442.57,13 3.897,14 211.88,15 27.495,16 3.826,17 3.817,18 149.567,19 20.641,20 5.76,21 9.167,22 7.92,23 14.597,24 11.186,25 19.832,26 17.817,27 6.722,28 19240.9,29 2.262,30 2.262,31 4.875,33 4.189,34 0.124,35 0.214,36 513.877,37 20.543,38 20.543,39 20.543,40 20.543,41 20.543,42 3.922,43 0.132,44 3.316,45 1488,46 4.136,47 12.171,48 4.839,49 2.636,50 14.781,51 212.734,52 510.831,53 0.101,54 132.667,55 92.263,56 21.587,57 275,58 51.12,59 3.679,60 16.392,61 8.494,62 12.747,63 5.679,64 16.842,65 591,66 3.187,67 26.667,68 4.115,69 16.205,70 5.8}
{0 CHEMBL1978448,2 0.22,3 0.335,4 23.193,6 1.507,8 1.934,9 1.531,10 11.826,11 3.726,12 808.275,13 3.762,14 141.253,15 22.087,16 3.655,17 3.647,18 105.73,19 15.402,20 5.223,21 8.13,22 5.902,23 10.932,24 8.723,25 14.79,26 13.414,27 4.722,28 8992.47,29 2.16,30 2.16,31 4.501,33 3.34,34 0.174,35 0.279,36 371.986,37 15.143,38 15.143,39 15.143,40 15.143,41 15.143,42 4.031,43 0.167,44 3.195,45 616,46 3.869,47 8.504,48 4.43,49 2.442,50 11.033,51 160.612,52 383.654,53 0.131,54 67.037,55 77.572,56 16.44,57 187,58 40.991,59 3.412,60 13.315,61 5.114,62 11.12,63 4.037,64 13.507,65 412,66 3.139,67 15.618,68 3.386,69 12.848,70 5.6}
{0 CHEMBL1978562,2 0.23,3 0.347,4 8.131,6 1.616,8 2.258,9 1.665,10 11.23,11 3.544,12 733.361,13 3.594,14 105.94,15 21.196,16 3.428,17 3.433,18 99.114,19 15.449,20 5.014,21 8.5,22 6.325,23 10.652,24 8.038,25 13.358,26 12.624,27 4.722,28 7742.32,29 2.063,30 2.063,31 4.431,33 3.272,34 0.187,35 0.274,36 336.538,37 14.989,38 14.989,39 14.989,40 14.989,41 14.989,42 4.041,43 0.17,44 3.175,45 600,46 3.845,47 8.533,48 4.388,49 2.495,50 11.333,51 151.286,52 360.897,53 0.131,54 66.295,55 74.568,56 16.267,57 187,58 40.108,59 3.283,60 13.132,61 4.859,62 9.962,63 4.011,64 13.217,65 413,66 2.924,67 15.479,68 3.091,69 12.291,70 5.6}
{0 CHEMBL1978567,1 5.24,2 0.217,3 0.342,4 15.446,5 1,6 1.59,7 1,8 1.845,9 1.612,10 12.488,11 3.727,12 1063.76,13 3.761,14 176.567,15 24.414,16 3.632,17 3.621,18 121.309,19 17.378,20 6.298,21 10.76,22 5.465,23 12.08,24 9.212,25 17.56,26 14.744,27 5.611,28 13017.7,29 1.944,30 1.944,31 4.616,32 1,33 3.608,34 0.154,35 0.241,36 455.734,37 16.87,38 16.87,39 16.87,40 16.87,41 16.87,42 3.942,43 0.15,44 3.546,45 914,46 3.945,47 9.983,48 4.569,49 2.889,50 12.2,51 184.004,52 440.731,53 0.115,54 103.486,55 79.57,56 18.165,57 269,58 40.818,59 3.481,60 13.993,61 7.749,62 10.662,63 4.663,64 15.132,65 572,66 2.918,67 21.872,68 3.594,69 13.255,70 5.6}
{0 CHEMBL1979577,2 0.162,3 0.261,4 23.654,6 1.83,8 2.772,9 1.849,10 16.147,11 3.85,12 2097.08,13 3.881,14 153.024,15 31.191,16 3.79,17 3.784,18 178.026,19 21.984,20 8.301,21 14,22 7.858,23 15.692,24 12.137,25 22.942,26 18.649,27 7.014,28 32558.7,29 2.466,30 2.466,31 5.011,33 3.996,34 0.131,35 0.194,36 579.896,37 21.618,38 21.618,39 21.618,40 21.618,41 21.618,42 3.968,43 0.118,44 3.972,45 2024,46 4.222,47 12.517,48 4.954,49 3.257,50 16.167,51 241.64,52 581.362,53 0.091,54 118.982,55 101.083,56 23.941,57 462,58 56.212,59 3.771,60 18.382,61 9.326,62 15.392,63 5.98,64 19.508,65 987,66 3.446,67 42.081,68 4.014,69 17.787,70 5}
{0 CHEMBL1979690,2 0.14,3 0.226,4 31.014,6 1.679,8 2.365,9 1.734,10 15.425,11 3.828,12 1825.36,13 3.887,14 235.422,15 29.755,16 3.66,17 3.682,18 164.265,19 21.919,20 8.015,21 13.903,22 8.022,23 15.136,24 11.388,25 20.215,26 18.66,27 6.667,28 27136.1,29 2.303,30 2.303,31 4.925,33 3.789,34 0.125,35 0.177,36 505.701,37 21.273,38 21.273,39 21.273,40 21.273,41 21.273,42 4.022,43 0.113,44 3.926,45 1711,46 4.184,47 12.481,48 4.907,49 3.244,50 14.914,51 218.248,52 524.286,53 0.085,54 99.074,55 97.897,56 21.709,57 431,58 52.694,59 3.636,60 18.435,61 8.808,62 13.819,63 5.99,64 17.895,65 966,66 3.234,67 35.696,68 3.789,69 17.303,70 6.7}
{0 CHEMBL1979773,2 0.181,3 0.284,4 28.158,6 1.737,8 2.573,9 1.784,10 17.168,11 3.844,12 2398.03,13 3.883,14 329.591,15 32.77,16 3.74,17 3.743,18 195.658,19 24.071,20 7.638,21 12.889,22 8.457,23 17.168,24 13.328,25 25.582,26 21.047,27 7.833,28 38184.6,29 2.413,30 2.413,31 5.141,33 4.264,34 0.114,35 0.183,36 651.072,37 23.772,38 23.772,39 23.772,40 23.772,41 23.772,42 4.074,43 0.112,44 3.806,45 2664,46 4.304,47 13.922,48 5.076,49 3.069,50 17.067,51 263.412,52 634.485,53 0.086,54 153.488,55 106.938,56 25.872,57 464,58 59.905,59 3.824,60 19.684,61 10.627,62 16.246,63 6.523,64 21.078,65 986,66 3.385,67 39.944,68 4.35,69 19.221,70 6.1}
{0 CHEMBL1980167,2 0.186,3 0.289,4 20.669,6 1.872,8 2.921,9 1.899,10 17.44,11 3.929,12 2219.95,13 3.959,14 223.651,15 31.987,16 3.835,17 3.838,18 188.115,19 23.322,20 7.394,21 11.743,22 7.899,23 16.619,24 13.204,25 24.298,26 19.514,27 7.486,28 34792.6,29 2.525,30 2.525,31 5.095,33 4.143,34 0.124,35 0.192,36 579.775,37 22.85,38 22.85,39 22.85,40 22.85,41 22.85,42 4.009,43 0.113,44 3.731,45 2420,46 4.277,47 13.098,48 5.033,49 2.868,50 16.567,51 241.239,52 580.382,53 0.089,54 148.778,55 113.054,56 25.415,57 411,58 58.251,59 3.736,60 19.506,61 9.804,62 16.081,63 6.197,64 19.729,65 870,66 3.491,67 40.514,68 4.237,69 18.716,70 5.6}
{0 CHEMBL1980246,2 0.225,3 0.353,4 15.377,6 1.505,8 1.849,9 1.567,10 10.758,11 3.666,12 781.172,13 3.726,14 131.81,15 21.795,16 3.452,17 3.492,18 101.722,19 15.459,20 5.7,21 9.409,22 5.138,23 10.758,24 8.042,25 14.295,26 12.974,27 4.972,28 8677.48,29 1.716,30 1.716,31 4.433,33 3.228,34 0.164,35 0.257,36 373.319,37 15.162,38 15.162,39 15.162,40 15.162,41 15.162,42 3.93,43 0.162,44 3.382,45 632,46 3.831,47 9.123,48 4.407,49 2.72,50 10.333,51 153.689,52 366.761,53 0.122,54 84.429,55 67.206,56 15.364,57 207,58 35.147,59 3.264,60 12.326,61 6.413,62 9.251,63 4.275,64 11.769,65 442,66 2.679,67 16.793,68 3.218,69 11.809,70 5.6}
{0 CHEMBL1980297,2 0.141,3 0.228,4 20.566,6 1.825,8 2.773,9 1.844,10 17.073,11 3.903,12 2402.86,13 3.942,14 203.298,15 32.716,16 3.802,17 3.805,18 192.079,19 24.435,20 8.599,21 15.143,22 8.823,23 17.012,24 12.903,25 23.27,26 20.586,27 7.667,28 38679.2,29 2.426,30 2.426,31 5.094,33 3.972,34 0.121,35 0.18,36 556.554,37 23.903,38 23.903,39 23.903,40 23.903,41 23.903,42 3.973,43 0.11,44 4.038,45 2401,46 4.294,47 14.111,48 5.067,49 3.4,50 16.686,51 236.643,52 569.169,53 0.085,54 112.378,55 111.392,56 23.847,57 530,58 58.945,59 3.747,60 20.141,61 10.02,62 15.424,63 6.654,64 19.22,65 1159,66 3.387,67 46.766,68 4.027,69 19.251,70 9.1}
{0 CHEMBL1980329,2 0.203,3 0.315,4 9.676,6 1.586,8 1.991,9 1.617,10 11.204,11 3.805,12 864.229,13 3.835,14 129.482,15 22.559,16 3.704,17 3.71,18 107.27,19 15.876,20 5.742,21 9.87,22 5.837,23 11.204,24 8.465,25 13.854,26 13.445,27 4.944,28 9641.66,29 2,30 2,31 4.49,33 3.323,34 0.161,35 0.259,36 358.877,37 15.74,38 15.74,39 15.74,40 15.74,41 15.74,42 3.962,43 0.162,44 3.416,45 656,46 3.887,47 9.223,48 4.469,49 2.794,50 10.967,51 155.758,52 371.811,53 0.123,54 103.81,55 69.238,56 15.811,57 227,58 39.905,59 3.376,60 13.074,61 5.449,62 10.28,63 4.422,64 12.206,65 504,66 3.003,67 20.412,68 3.115,69 12.853,70 6.3}
{0 CHEMBL1980376,2 0.306,3 0.447,4 5.588,6 1.232,7 1,8 1.648,9 1.286,10 8.254,11 3.358,12 370.535,13 3.418,14 117.711,15 16.578,16 3.159,17 3.182,18 68.232,19 11.628,20 3.93,21 5.882,22 4.47,23 8.254,24 6.218,25 10.209,26 9.654,27 3.694,28 3298.05,29 1.474,30 1.474,31 4.065,33 2.673,34 0.243,35 0.362,36 274.392,37 11.569,38 11.569,39 11.569,40 11.569,41 11.569,42 3.879,43 0.222,44 2.725,45 293,46 3.586,47 6.781,48 4.023,49 1.904,50 8.133,51 119.976,52 284.502,53 0.17,54 75.159,55 51.175,56 11.828,57 100,58 29.188,59 3.103,60 9.472,61 3.807,62 7.519,63 3.2,64 9.474,65 217,66 2.473,67 8.339,68 2.13,69 9.382,70 4.8}
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{0 CHEMBL1980407,1 5.934,2 0.142,3 0.229,4 16.112,5 1,6 1.712,7 1,8 2.347,9 1.737,10 16.153,11 3.91,12 2081.96,13 3.95,14 211.88,15 31.195,16 3.798,17 3.807,18 177.663,19 23.032,20 8.143,21 13.939,22 8.186,23 16.153,24 12.177,25 21.197,26 19.746,27 7.194,28 32197.2,29 2.369,30 2.369,31 5.013,32 1,33 3.977,34 0.114,35 0.182,36 535.419,37 22.739,38 22.739,39 22.739,40 22.739,41 22.739,42 3.968,43 0.114,44 3.943,45 2064,46 4.242,47 13.646,48 4.999,49 3.256,50 15.767,51 229.91,52 552.741,53 0.087,54 140.857,55 100.055,56 22.623,57 460,58 55.967,59 3.745,60 18.803,61 9.451,62 14.475,63 6.58,64 17.993,65 1021,66 3.323,67 40.386,68 3.978,69 18.336,70 6.9}
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{0 CHEMBL1981047,1 5.505,2 0.139,3 0.225,4 32.814,6 1.651,8 2.374,9 1.718,10 17.029,11 3.908,12 2403.24,13 3.939,14 329.591,15 32.756,16 3.807,17 3.817,18 192.327,19 24.521,20 8.626,21 15.257,22 8.659,23 17.029,24 13.023,25 23.704,26 21.71,27 7.694,28 38865.2,29 2.389,30 2.389,31 5.098,32 1,33 4.064,34 0.105,35 0.171,36 595.598,37 23.955,38 23.955,39 23.955,40 23.955,41 23.955,42 3.997,43 0.107,44 4.039,45 2371,46 4.293,47 13.963,48 5.067,49 3.337,50 16.4,51 246.685,52 593.671,53 0.082,54 113.939,55 107.609,56 24.363,57 534,58 59.43,59 3.772,60 19.939,61 10.302,62 15.23,63 6.533,64 20.03,65 1173,66 3.356,67 45.249,68 4.002,69 19.163,70 5.7}
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{0 CHEMBL1983715,2 0.157,3 0.255,4 32.874,6 1.65,8 2.237,9 1.706,10 15.437,11 3.775,12 1844.74,13 3.831,14 258.964,15 29.772,16 3.588,17 3.603,18 164.823,19 21.763,20 8.209,21 14.484,22 7.219,23 15.029,24 11.438,25 21.815,26 18.852,27 6.861,28 27646,29 2.343,30 2.343,31 4.922,33 3.801,34 0.122,35 0.191,36 556.25,37 21.041,38 21.041,39 21.041,40 21.041,41 21.041,42 3.957,43 0.118,44 3.967,45 1680,46 4.168,47 12.465,48 4.888,49 3.256,50 14.967,51 228.569,52 549.468,53 0.091,54 89.153,55 98.118,56 22.148,57 449,58 51.253,59 3.682,60 17.958,61 9.816,62 13.495,63 5.847,64 18.869,65 966,66 3.277,67 36.753,68 3.889,69 16.759,70 6.6}
{0 CHEMBL1983923,2 0.186,3 0.29,4 24.019,6 1.614,8 2.196,9 1.679,10 13.653,11 3.856,12 1334.49,13 3.914,14 273.063,15 26.8,16 3.671,17 3.693,18 140.656,19 19.613,20 6.534,21 10.286,22 6.506,23 13.653,24 10.301,25 18.665,26 16.944,27 6.111,28 18142.3,29 2.199,30 2.199,31 4.775,33 3.896,34 0.127,35 0.201,36 488.076,37 19.118,38 19.118,39 19.118,40 19.118,41 19.118,42 3.953,43 0.126,44 3.53,45 1300,46 4.074,47 11.52,48 4.76,49 2.683,50 13.3,51 203.85,52 489.153,53 0.096,54 108.756,55 85.323,56 19.347,57 288,58 46.59,59 3.566,60 16.167,61 8.549,62 12.321,63 5.604,64 16.261,65 626,66 3.114,67 28.857,68 4.009,69 15.37,70 7.4}
{0 CHEMBL1983945,2 0.159,3 0.257,4 11.193,6 1.756,8 2.318,9 1.794,10 14.187,11 3.827,12 1562.45,13 3.87,14 176.567,15 28.205,16 3.712,17 3.721,18 150.56,19 20.163,20 7.664,21 13.138,22 6.706,23 14.187,24 10.678,25 18.913,26 17.063,27 6.417,28 22287.3,29 2.068,30 2.068,31 4.83,33 3.749,34 0.14,35 0.204,36 481.311,37 19.93,38 19.93,39 19.93,40 19.93,41 19.93,42 3.992,43 0.127,44 3.848,45 1428,46 4.107,47 12.047,48 4.812,49 3.095,50 13.833,51 204.66,52 491.13,53 0.096,54 130.523,55 87.848,56 20.054,57 381,58 48.165,59 3.597,60 16.18,61 8.718,62 12.452,63 5.774,64 15.747,65 836,66 3.048,67 31.042,68 3.726,69 15.832,70 5.6}
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{0 CHEMBL1984236,2 0.214,3 0.341,4 17.647,6 1.361,8 1.5,9 1.444,10 11.146,11 3.657,12 727.833,13 3.685,14 153.024,15 21.177,16 3.565,17 3.545,18 96.56,19 14.687,20 5.949,21 10.095,22 4.274,23 10.114,24 7.69,25 14.755,26 12.156,27 4.556,28 7913.88,29 1.916,30 1.916,31 4.362,33 3.032,34 0.175,35 0.27,36 381.028,37 14.033,38 14.033,39 14.033,40 14.033,41 14.033,42 3.931,43 0.171,44 3.466,45 553,46 3.779,47 8.221,48 4.322,49 2.784,50 11.267,51 162.206,52 387.542,53 0.129,54 84.424,55 75.658,56 16.173,57 212,58 35.185,59 3.34,60 12.474,61 6.299,62 9.378,63 3.932,64 14.125,65 454,66 2.772,67 17.905,68 3.251,69 11.355,70 6.3}
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{0 CHEMBL1984686,2 0.249,3 0.384,4 11.131,6 1.348,8 1.5,9 1.388,10 9.387,11 3.438,12 476.914,13 3.486,14 94.169,15 18.126,16 3.346,17 3.329,18 76.377,19 12.805,20 4.807,21 7.889,22 4.53,23 8.81,24 6.56,25 11.27,26 10.335,27 3.944,28 4476.19,29 1.57,30 1.57,31 4.144,33 2.799,34 0.219,35 0.311,36 295.442,37 12.378,38 12.378,39 12.378,40 12.378,41 12.378,42 3.872,43 0.197,44 3.117,45 340,46 3.645,47 7.499,48 4.128,49 2.489,50 9.433,51 128.963,52 306.429,53 0.148,54 74.095,55 63.046,56 13.372,57 142,58 29.486,59 3.092,60 10.661,61 4.807,62 7.857,63 3.638,64 10.924,65 310,66 2.548,67 11.778,68 2.744,69 9.921,70 5.6}
{0 CHEMBL1984760,2 0.203,3 0.324,4 21.26,6 1.558,8 1.967,9 1.633,10 12.207,11 3.65,12 1419.71,13 3.719,14 176.567,15 27.07,16 3.465,17 3.457,18 142.55,19 19.023,20 7.196,21 12.464,22 5.975,23 13.353,24 10.724,25 20.158,26 16.527,27 6.125,28 19325.8,29 2.105,30 2.105,31 4.773,33 3.713,34 0.15,35 0.218,36 458.826,37 18.472,38 18.472,39 18.472,40 18.472,41 18.472,42 3.956,43 0.136,44 3.756,45 1328,46 4.053,47 10.981,48 4.719,49 3.071,50 12.69,51 188.988,52 452.89,53 0.105,54 65.254,55 85.081,56 17.648,57 349,58 44.838,59 3.461,60 15.793,61 8.617,62 12.688,63 5.208,64 15.229,65 729,66 3.045,67 31.061,68 3.605,69 14.803,70 5.6}
{0 CHEMBL1984842,1 5.929,2 0.199,3 0.305,4 16.003,5 1,6 1.734,7 1,8 2.477,9 1.786,10 15.876,11 3.839,12 2053.02,13 3.883,14 321.009,15 30.966,16 3.675,17 3.683,18 179.723,19 23.171,20 6.977,21 11.529,22 8.514,23 16.27,24 12.577,25 24.06,26 20.069,27 7.417,28 30707.1,29 2.386,30 2.386,31 5.05,32 1,33 4.283,34 0.128,35 0.191,36 618.431,37 22.593,38 22.593,39 22.593,40 22.593,41 22.593,42 3.901,43 0.116,44 3.66,45 2370,46 4.253,47 13.1,48 4.999,49 2.918,50 15.852,51 241.688,52 581.478,53 0.091,54 111.111,55 102.818,56 23.424,57 392,58 55.964,59 3.726,60 19.211,61 10.043,62 15.336,63 6.164,64 19.787,65 825,66 3.309,67 39.301,68 4.264,69 18.179,70 5.6}
{0 CHEMBL1984847,1 4.835,2 0.266,3 0.399,4 18.569,6 1.522,7 1,8 2.269,9 1.57,10 12.03,11 3.644,12 1152.33,13 3.676,14 141.253,15 25.193,16 3.406,17 3.436,18 130.468,19 17.916,20 5.561,21 8.741,22 6.945,23 12.664,24 10.668,25 19.652,26 15.461,27 5.722,28 14339,29 2.243,30 2.243,31 4.719,32 1,33 3.783,34 0.153,35 0.255,36 430.084,37 17.264,38 17.264,39 17.264,40 17.264,41 17.264,42 3.852,43 0.152,44 3.283,45 1125,46 4.013,47 10.013,48 4.637,49 2.541,50 12.89,51 176.121,52 421.495,53 0.12,54 57.983,55 90.058,56 18.267,57 236,58 45.35,59 3.361,60 15.509,61 7.49,62 12.807,63 4.815,64 15.518,65 488,66 3.191,67 24.37,68 3.553,69 14.354,70 5.6}
{0 CHEMBL1985042,2 0.296,3 0.437,4 16.658,6 1.215,8 1.5,9 1.269,10 8.665,11 3.449,12 441.477,13 3.495,14 105.94,15 17.572,16 3.245,17 3.274,18 74.265,19 12.227,20 4.196,21 6.944,22 4.545,23 8.665,24 6.623,25 11.05,26 10.354,27 3.889,28 4006.5,29 1.741,30 1.741,31 4.142,33 2.82,34 0.219,35 0.347,36 292.062,37 12.069,38 12.069,39 12.069,40 12.069,41 12.069,42 3.852,43 0.213,44 2.885,45 308,46 3.636,47 7.042,48 4.09,49 2.261,50 8.367,51 121.174,52 287.425,53 0.165,54 67.459,55 54.497,56 12.698,57 125,58 31.142,59 3.057,60 10.146,61 3.998,62 8.048,63 3.353,64 9.714,65 270,66 2.708,67 10.321,68 2.579,69 9.873,70 4}
{0 CHEMBL1985206,1 5.009,2 0.221,3 0.337,4 11.162,6 1.451,8 1.778,9 1.484,10 11.335,11 3.634,12 758.468,13 3.671,14 153.024,15 21.458,16 3.531,17 3.53,18 99.932,19 16.021,20 5.289,21 9.136,22 5.712,23 10.881,24 8.082,25 13.6,26 13.392,27 4.917,28 8069.3,29 1.664,30 1.664,31 4.421,32 1,33 3.351,34 0.177,35 0.279,36 355.344,37 15.56,38 15.56,39 15.56,40 15.56,41 15.56,42 3.852,43 0.173,44 3.283,45 580,46 3.849,47 9.438,48 4.418,49 2.674,50 10.967,51 156.228,52 372.957,53 0.134,54 65.913,55 71.945,56 15.295,57 201,58 38.753,59 3.402,60 12.992,61 5.623,62 9.364,63 4.445,64 12.959,65 445,66 2.611,67 18.463,68 3.321,69 12.356,70 6}
{0 CHEMBL1985367,2 0.239,3 0.369,4 14.338,6 1.66,8 1.735,9 1.703,10 10.204,11 3.726,12 683.098,13 3.771,14 178.894,15 20.782,16 3.612,17 3.62,18 94.659,19 14.49,20 5.281,21 8.619,22 4.846,23 10.204,24 7.691,25 13.413,26 12.027,27 4.611,28 7259.72,29 1.761,30 1.761,31 4.366,33 3.392,34 0.174,35 0.27,36 363.553,37 14.24,38 14.24,39 14.24,40 14.24,41 14.24,42 3.915,43 0.17,44 3.253,45 554,46 3.786,47 8.652,48 4.338,49 2.547,50 10.1,51 152.491,52 363.837,53 0.128,54 102.508,55 62.9,56 14.656,57 181,58 34.165,59 3.294,60 11.842,61 5.82,62 9.21,63 4.199,64 12.038,65 389,66 2.722,67 15.029,68 3.366,69 11.421,70 5.6}
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{0 CHEMBL1986265,1 5.546,2 0.187,3 0.304,4 23.174,5 1,6 1.735,7 1,8 2.066,9 1.775,10 11.797,11 3.812,12 1342.19,13 3.841,14 188.338,15 26.599,16 3.672,17 3.681,18 137.517,19 17.943,20 7.555,21 12.519,22 5.684,23 12.719,24 10.418,25 19.842,26 15.722,27 5.722,28 18338.6,29 2.241,30 2.241,31 4.724,32 1,33 3.517,34 0.134,35 0.245,36 458.532,37 17.367,38 17.367,39 17.367,40 17.367,41 17.367,42 3.956,43 0.144,44 3.824,45 1171,46 4.011,47 10,48 4.65,49 3.102,50 12.471,51 181.063,52 433.555,53 0.114,54 69.458,55 84.417,56 17.604,57 338,58 44.127,59 3.439,60 15.391,61 7.992,62 12.667,63 4.779,64 14.926,65 711,66 3.19,67 29.523,68 3.452,69 14.319,70 6}
{0 CHEMBL1986590,2 0.233,3 0.352,4 7.52,6 1.586,8 1.97,9 1.62,10 9.826,11 3.499,12 580.762,13 3.532,14 117.711,15 19.535,16 3.412,17 3.408,18 86.92,19 14.014,20 4.694,21 7.85,22 5.672,23 9.826,24 7.369,25 11.355,26 11.786,27 4.306,28 5762.84,29 1.669,30 1.669,31 4.299,33 3.186,34 0.196,35 0.293,36 293.721,37 13.93,38 13.93,39 13.93,40 13.93,41 13.93,42 3.998,43 0.183,44 3.057,45 428,46 3.762,47 8.196,48 4.278,49 2.339,50 9.633,51 135.505,52 322.392,53 0.139,54 94.334,55 60.399,56 13.527,57 157,58 35.554,59 3.267,60 11.506,61 4.272,62 8.867,63 3.89,64 10.682,65 355,66 2.649,67 11.34,68 3.038,69 11.381,70 5.8}
{0 CHEMBL1986756,2 0.213,3 0.337,4 19.816,6 1.554,8 2.215,9 1.604,10 11.152,11 3.616,12 1165.68,13 3.669,14 153.024,15 25.188,16 3.493,17 3.49,18 128.068,19 17.547,20 6.507,21 10.962,22 5.994,23 12.364,24 10.093,25 18,26 14.983,27 5.639,28 14742.6,29 2.111,30 2.111,31 4.675,33 3.402,34 0.159,35 0.254,36 407.162,37 17.082,38 17.082,39 17.082,40 17.082,41 17.082,42 3.95,43 0.149,44 3.587,45 968,46 3.982,47 9.925,48 4.606,49 2.888,50 11.79,51 169.674,52 405.764,53 0.119,54 84.206,55 78.687,56 16.234,57 285,58 42.211,59 3.362,60 14.62,61 7.207,62 11.874,63 4.647,64 13.762,65 600,66 3.078,67 21.633,68 3.403,69 13.783,70 5.6}
{0 CHEMBL1986851,2 0.145,3 0.232,4 21.32,6 1.825,8 2.807,9 1.842,10 17.466,11 3.911,12 2536.38,13 3.953,14 226.84,15 33.32,16 3.807,17 3.814,18 198.4,19 24.921,20 8.525,21 15.083,22 9.179,23 17.423,24 13.325,25 24.224,26 21.033,27 7.861,28 41130.1,29 2.444,30 2.444,31 5.135,33 4.033,34 0.118,35 0.175,36 582.631,37 24.403,38 24.403,39 24.403,40 24.403,41 24.403,42 3.981,43 0.107,44 4.026,45 2536,46 4.319,47 14.308,48 5.099,49 3.388,50 17.186,51 246.236,52 592.575,53 0.083,54 111.727,55 113.856,56 24.717,57 543,58 60.768,59 3.787,60 20.6,61 10.25,62 15.954,63 6.735,64 20.142,65 1184,66 3.408,67 47.963,68 4.072,69 19.729,70 7.6}
{0 CHEMBL1986899,2 0.197,3 0.318,4 13.765,6 1.71,8 1.5,9 1.743,10 10.31,11 3.755,12 834.979,13 3.792,14 203.298,15 22.364,16 3.669,17 3.669,18 104.066,19 15.122,20 6.522,21 11.409,22 5.019,23 10.704,24 8.097,25 14.432,26 12.734,27 4.861,28 9623.08,29 2.059,30 2.059,31 4.429,33 3.22,34 0.163,35 0.256,36 377.026,37 14.947,38 14.947,39 14.947,40 14.947,41 14.947,42 3.944,43 0.161,44 3.615,45 632,46 3.831,47 8.929,48 4.407,49 2.936,50 10.586,51 159.285,52 380.415,53 0.12,54 112.635,55 65.995,56 14.493,57 251,58 35.405,59 3.372,60 12.147,61 6.506,62 9.504,63 4.288,64 12.383,65 540,66 3.039,67 20.43,68 3.176,69 11.837,70 6.4}
{0 CHEMBL1986943,2 0.201,3 0.312,4 13.245,6 1.675,8 2.128,9 1.718,10 11.975,11 3.747,12 940.624,13 3.793,14 82.398,15 23.316,16 3.605,17 3.618,18 113.484,19 16.885,20 5.772,21 9.958,22 6.308,23 11.687,24 8.862,25 15.67,26 14.552,27 5.167,28 10888.1,29 2.075,30 2.075,31 4.557,33 3.543,34 0.168,35 0.249,36 415.415,37 16.394,38 16.394,39 16.394,40 16.394,41 16.394,42 3.952,43 0.153,44 3.408,45 776,46 3.929,47 9.693,48 4.532,49 2.736,50 11.548,51 170.075,52 406.744,53 0.117,54 46.524,55 76.006,56 17.018,57 239,58 40.782,59 3.411,60 14.254,61 6.575,62 10.75,63 4.67,64 13.793,65 530,66 2.969,67 18.833,68 3.541,69 13.375,70 6}
{0 CHEMBL1987430,2 0.213,3 0.337,4 19.816,6 1.595,8 2.115,9 1.651,10 11.652,11 3.649,12 1264.89,13 3.709,14 176.567,15 25.975,16 3.526,17 3.518,18 134.599,19 18.254,20 6.613,21 11,22 6.225,23 12.864,24 10.477,25 18.97,26 15.69,27 5.889,28 16492,29 2.165,30 2.165,31 4.729,33 3.556,34 0.154,35 0.245,36 433.239,37 17.789,38 17.789,39 17.789,40 17.789,41 17.789,42 3.949,43 0.144,44 3.604,45 1104,46 4.019,47 10.533,48 4.663,49 2.89,50 12.29,51 179.266,52 429.169,53 0.114,54 84.206,55 81.687,56 16.941,57 297,58 43.687,59 3.421,60 15.159,61 7.832,62 12.255,63 4.947,64 14.47,65 623,66 3.126,67 23.202,68 3.551,69 14.321,70 5.6}
{0 CHEMBL1987535,2 0.168,3 0.271,4 13.726,6 1.621,8 1.808,9 1.662,10 12.764,11 3.803,12 1108.7,13 3.848,14 188.338,15 24.895,16 3.655,17 3.662,18 123.206,19 17.904,20 6.943,21 11.68,22 5.581,23 12.31,24 9.255,25 16.492,26 15.284,27 5.528,28 14004.7,29 1.724,30 1.724,31 4.613,33 3.472,34 0.161,35 0.24,36 423.814,37 17.413,38 17.413,39 17.413,40 17.413,41 17.413,42 3.919,43 0.148,44 3.696,45 878,46 3.968,47 10.456,48 4.606,49 2.973,50 12.267,51 182.337,52 436.661,53 0.113,54 76.249,55 80.914,56 17.416,57 292,58 42.296,59 3.518,60 14.593,61 7.503,62 10.683,63 4.953,64 14.682,65 650,66 2.68,67 25.245,68 3.526,69 13.836,70 5.6}
{0 CHEMBL1987998,1 5.746,2 0.195,3 0.315,4 18.719,5 1,6 1.735,7 1,8 1.939,9 1.774,10 11.403,11 3.808,12 927.837,13 3.837,14 200.109,15 23.278,16 3.672,17 3.68,18 110.681,19 15.772,20 6.754,21 11.435,22 4.885,23 11.114,24 8.496,25 16.154,26 13.737,27 5.056,28 11144,29 1.992,30 1.992,31 4.49,32 1,33 3.411,34 0.156,35 0.247,36 423.954,37 15.447,38 15.447,39 15.447,40 15.447,41 15.447,42 3.928,43 0.158,44 3.667,45 734,46 3.865,47 9.24,48 4.458,49 2.968,50 11.114,51 167.877,52 401.379,53 0.119,54 78.934,55 72.536,56 16.734,57 263,58 36.907,59 3.387,60 12.948,61 7.238,62 10.075,63 4.445,64 13.369,65 563,66 2.925,67 23.981,68 3.33,69 12.362,70 5.6}
{0 CHEMBL1988141,2 0.292,3 0.452,4 20.581,6 1.523,8 1.004,9 1.579,10 9.613,11 3.615,12 626.077,13 3.663,14 188.338,15 20.017,16 3.433,17 3.438,18 88.971,19 13.581,20 5.333,21 9.05,22 3.905,23 9.613,24 7.443,25 14.817,26 12.355,27 4.583,28 6407.9,29 1.655,30 1.655,31 4.288,33 3.133,34 0.191,35 0.313,36 384.02,37 13.353,38 13.353,39 13.353,40 13.353,41 13.353,42 3.844,43 0.193,44 3.295,45 490,46 3.713,47 7.973,48 4.237,49 2.746,50 9.2,51 148.011,52 352.907,53 0.147,54 40.378,55 60.896,56 14.535,57 181,58 30.693,59 3.198,60 10.605,61 6.726,62 8.327,63 3.71,64 11.479,65 371,66 2.613,67 16.15,68 2.876,69 10.272,70 6}
{0 CHEMBL1988437,2 0.172,3 0.274,4 7.851,6 1.798,8 2.214,9 1.831,10 14.15,11 3.863,12 1418.13,13 3.903,14 188.338,15 27.141,16 3.767,17 3.77,18 142.529,19 19.808,20 7.218,21 12.286,22 6.761,23 13.742,24 10.281,25 18.33,26 16.609,27 6.278,28 19263.3,29 2.009,30 2.009,31 4.775,33 3.752,34 0.146,35 0.211,36 466.205,37 19.438,38 19.438,39 19.438,40 19.438,41 19.438,42 3.935,43 0.131,44 3.752,45 1178,46 4.076,47 11.647,48 4.76,49 3.067,50 13.767,51 199.404,52 478.306,53 0.1,54 131.159,55 89.029,56 19.7,57 344,58 46.139,59 3.596,60 15.815,61 8.322,62 11.851,63 5.468,64 16.033,65 746,66 2.987,67 31.077,68 3.705,69 15.264,70 8.2}
{0 CHEMBL1988581,2 0.361,3 0.531,4 17.999,6 1.349,8 0.46,9 1.431,10 7.986,11 3.452,12 384.765,13 3.522,14 129.482,15 16.648,16 3.248,17 3.251,18 68.717,19 11.134,20 4.1,21 6.412,22 4.006,23 7.986,24 6.277,25 11.926,26 9.859,27 3.694,28 3402.48,29 1.719,30 1.719,31 4.058,33 2.661,34 0.221,35 0.375,36 324.356,37 10.861,38 10.861,39 10.861,40 10.861,41 10.861,42 3.727,43 0.23,44 2.829,45 274,46 3.553,47 6.25,48 3.968,49 2.184,50 7.867,51 124.83,52 296.346,53 0.177,54 59.867,55 50.798,56 12.577,57 109,58 28.262,59 3.016,60 9.301,61 4.375,62 7.708,63 2.957,64 10.136,65 222,66 2.676,67 9.917,68 2.567,69 8.856,70 7.3}
{0 CHEMBL1988692,2 0.251,3 0.384,4 11.78,6 1.548,8 1.942,9 1.614,10 9.631,11 3.588,12 599.815,13 3.656,14 82.398,15 19.762,16 3.433,17 3.422,18 88.077,19 13.556,20 5.004,21 8,22 4.683,23 9.631,24 7.36,25 12.943,26 11.72,27 4.333,28 6116.92,29 1.625,30 1.625,31 4.295,33 3.181,34 0.201,35 0.296,36 339.717,37 13.378,38 13.378,39 13.378,40 13.378,41 13.378,42 3.896,43 0.185,44 3.157,45 466,46 3.735,47 7.911,48 4.248,49 2.409,50 9.433,51 143.157,52 341.063,53 0.14,54 74.508,55 60.088,56 14.113,57 160,58 33.954,59 3.229,60 11.155,61 5.136,62 8.986,63 3.795,64 11.397,65 343,66 2.613,67 13.63,68 3.125,69 10.893,70 6.2}
{0 CHEMBL1988805,2 0.308,3 0.449,4 10.767,6 1.32,8 1.129,9 1.356,10 8.746,11 3.458,12 377.557,13 3.515,14 58.856,15 16.607,16 3.29,17 3.315,18 68.274,19 12.208,20 3.966,21 6.353,22 4.217,23 8.292,24 6.185,25 10.246,26 9.899,27 3.778,28 3316.92,29 1.607,30 1.607,31 4.059,33 2.325,34 0.244,35 0.364,36 261.161,37 11.732,38 11.732,39 11.732,40 11.732,41 11.732,42 3.767,43 0.221,44 2.776,45 282,46 3.583,47 6.854,48 4.023,49 2.162,50 8.333,51 115.789,52 274.286,53 0.172,54 47.024,55 56.298,56 12.182,57 108,58 30.037,59 3.011,60 10.143,61 3.829,62 7.346,63 3.173,64 9.478,65 233,66 2.546,67 9.446,68 1.668,69 9.326,70 5.6}
{0 CHEMBL1989043,2 0.167,3 0.268,4 29.249,6 1.639,8 2.382,9 1.709,10 15.404,11 3.793,12 1668.51,13 3.84,14 211.88,15 28.741,16 3.738,17 3.689,18 156.402,19 20.759,20 7.608,21 13.233,22 6.977,23 14.419,24 11.092,25 21.528,26 17.785,27 6.5,28 23838.6,29 2.272,30 2.272,31 4.878,33 3.65,34 0.128,35 0.208,36 528.716,37 20.016,38 20.016,39 20.016,40 20.016,41 20.016,42 3.953,43 0.126,44 3.836,45 1482,46 4.132,47 11.571,48 4.828,49 3.111,50 15.095,51 222.054,52 533.571,53 0.097,54 80.979,55 99.9,56 22.604,57 397,58 50.184,59 3.655,60 17.588,61 9.201,62 13.337,63 5.48,64 18.69,65 859,66 3.194,67 32.36,68 3.698,69 16.24,70 5.6}
{0 CHEMBL1989267,1 5.664,2 0.138,3 0.222,4 25.219,5 1,6 1.835,7 1,8 2.867,9 1.852,10 20.215,11 3.867,12 3438.8,13 3.891,14 329.591,15 37.133,16 3.792,17 3.791,18 235.95,19 28.269,20 9.533,21 16.683,22 10.303,23 19.761,24 15.151,25 28.801,26 24.159,27 9.028,28 62339.1,29 2.435,30 2.435,31 5.321,32 1,33 4.309,34 0.105,35 0.155,36 704.715,37 27.576,38 27.576,39 27.576,40 27.576,41 27.576,42 4.115,43 0.095,44 4.194,45 3760,46 4.441,47 16.056,48 5.277,49 3.498,50 19.733,51 294.068,52 709.286,53 0.073,54 152.555,55 128.388,56 29.449,57 684,58 68.75,59 3.948,60 23.087,61 12.431,62 17.986,63 7.513,64 24.211,65 1474,66 3.432,67 61.95,68 4.397,69 22.114,70 7.4}
{0 CHEMBL1989423,2 0.387,3 0.539,4 7.276,6 1.145,8 0.098,9 1.237,10 5.949,11 3.077,12 150.36,13 3.16,14 82.398,15 11.651,16 2.903,17 2.9,18 40.175,19 8.56,20 2.91,21 4.583,22 3.287,23 5.949,24 4.408,25 6.151,26 7.189,27 2.583,28 1016.55,29 1.105,30 1.105,31 3.565,33 0.342,34 0.302,35 0.482,36 177.524,37 8.5,38 8.5,39 8.5,40 8.5,41 8.5,42 3.706,43 0.3,44 2.278,45 82,46 3.271,47 5.042,48 3.557,49 1.784,50 5.8,51 83.465,52 195.415,53 0.229,54 46.952,55 36.651,56 7.966,57 55,58 21.386,59 2.806,60 7.037,61 2.051,62 5.299,63 2.392,64 6.541,65 125,66 2.083,67 4.167,69 6.942,70 4}
{0 CHEMBL1989471,2 0.294,3 0.435,4 9.433,6 1.482,8 1.562,9 1.54,10 9.075,11 3.528,12 502.173,13 3.59,14 178.282,15 18.364,16 3.41,17 3.396,18 79.986,19 12.711,20 4.327,21 7.053,22 5.023,23 9.075,24 7.017,25 12.068,26 10.701,27 4.083,28 4700.58,29 1.763,30 1.763,31 4.22,33 2.975,34 0.228,35 0.329,36 341.625,37 12.569,38 12.569,39 12.569,40 12.569,41 12.569,42 3.854,43 0.202,44 2.937,45 316,46 3.687,47 7.135,48 4.153,49 2.294,50 9.133,51 139.161,52 331.312,53 0.156,54 73.428,55 55.892,56 13.569,57 134,58 32.224,59 3.252,60 10.576,61 4.288,62 8.582,63 3.338,64 11.306,65 286,66 2.742,67 11.363,68 2.856,69 10.324,70 5.6}
{0 CHEMBL1989708,2 0.14,3 0.225,4 22.442,6 1.828,8 2.773,9 1.846,10 17.822,11 3.913,12 2566.87,13 3.955,14 211.88,15 33.496,16 3.808,17 3.812,18 199.473,19 24.667,20 8.815,21 15.278,22 8.946,23 17.368,24 13.269,25 24.286,26 20.87,27 7.75,28 42347.1,29 2.461,30 2.461,31 5.134,33 4.046,34 0.118,35 0.175,36 612.164,37 24.187,38 24.187,39 24.187,40 24.187,41 24.187,42 3.98,43 0.107,44 4.074,45 2634,46 4.319,47 14.156,48 5.099,49 3.398,50 17.4,51 254.63,52 613.056,53 0.083,54 130.028,55 112.531,56 25.587,57 550,58 61.037,59 3.828,60 20.57,61 10.29,62 16.265,63 6.774,64 20.712,65 1198,66 3.427,67 50.25,68 4.152,69 19.786,70 8.5}
{0 CHEMBL1989834,2 0.315,3 0.458,4 2.157,6 1.276,8 1.5,9 1.34,10 7.86,11 3.386,12 319.853,13 3.448,14 94.169,15 15.679,16 3.183,17 3.206,18 62.453,19 11.234,20 3.749,21 5.813,22 4.266,23 7.86,24 5.862,25 9.278,26 9.231,27 3.528,28 2709.12,29 1.266,30 1.266,31 3.977,33 2.226,34 0.257,35 0.382,36 257.076,37 11.121,38 11.121,39 11.121,40 11.121,41 11.121,42 3.864,43 0.234,44 2.665,45 246,46 3.533,47 6.658,48 3.954,49 1.924,50 7.633,51 110.384,52 261.096,53 0.179,54 75.81,55 48.647,56 10.958,57 93,58 27.415,59 3.023,60 9.08,61 3.56,62 6.885,63 3.144,64 8.513,65 204,66 2.255,67 7.375,68 1.432,69 8.899,70 4.7}
{0 CHEMBL1990223,1 5.824,2 0.189,3 0.308,4 21.488,5 1,6 1.741,7 1,8 1.949,9 1.785,10 12.496,11 3.819,12 1128.99,13 3.853,14 211.88,15 24.972,16 3.675,17 3.684,18 124.078,19 16.843,20 7.202,21 12.24,22 5.305,23 11.919,24 9.224,25 18.365,26 14.607,27 5.417,28 14509.9,29 2.135,30 2.135,31 4.612,32 1,33 3.564,34 0.144,35 0.228,36 471.433,37 16.394,38 16.394,39 16.394,40 16.394,41 16.394,42 3.926,43 0.147,44 3.763,45 931,46 3.94,47 9.492,48 4.555,49 3.133,50 12.329,51 185.802,52 445.116,53 0.111,54 68.807,55 80.539,56 18.974,57 306,58 40.156,59 3.472,60 14.169,61 7.853,62 11.205,63 4.533,64 15.349,65 649,66 3.077,67 26.49,68 3.555,69 13.296,70 6.7}
{0 CHEMBL1990254,2 0.209,3 0.332,4 8.567,6 1.683,8 1.593,9 1.718,10 11.775,11 3.745,12 982.977,13 3.782,14 188.338,15 23.782,16 3.638,17 3.644,18 115.532,19 16.742,20 6.366,21 10.833,22 5.364,23 11.775,24 8.838,25 16.067,26 14.399,27 5.5,28 11830.3,29 1.812,30 1.812,31 4.556,33 3.455,34 0.151,35 0.239,36 423.062,37 16.629,38 16.629,39 16.629,40 16.629,41 16.629,42 3.951,43 0.152,44 3.562,45 808,46 3.913,47 10.109,48 4.536,49 2.872,50 11.533,51 175.542,52 420.083,53 0.113,54 122.334,55 72.49,56 16.778,57 260,58 38.189,59 3.446,60 12.942,61 7.646,62 9.852,63 4.713,64 13.223,65 556,66 2.793,67 22.139,68 3.42,69 12.781,70 5.6}
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{0 CHEMBL1996646,1 11.042,2 0.193,3 0.299,4 26.457,5 2,6 1.806,7 2,8 2.369,9 1.862,10 14.962,11 3.856,12 1534.12,13 3.914,14 247.193,15 28.063,16 3.741,17 3.727,18 152.93,19 21.467,20 6.515,21 10.333,22 7.735,23 14.673,24 11.079,25 21.165,26 18.72,27 6.778,28 21391.9,29 2.093,30 2.093,31 4.879,32 2,33 4.083,34 0.136,35 0.199,36 544.538,37 20.756,38 20.756,39 20.756,40 20.756,41 20.756,42 3.939,43 0.123,44 3.527,45 1616,46 4.141,47 12.34,48 4.851,49 2.749,50 14.481,51 221.904,52 533.206,53 0.094,54 78.624,55 95.125,56 21.424,57 310,58 48.259,59 3.665,60 17.234,61 9.819,62 12.688,63 5.715,64 18.129,65 666,66 3.032,67 28.4,68 4.229,69 16.201,70 7.1}
{0 CHEMBL1996649,2 0.15,3 0.244,4 30.549,6 1.815,8 2.617,9 1.834,10 18.449,11 3.848,12 2960.66,13 3.883,14 226.84,15 35.321,16 3.78,17 3.775,18 215.938,19 26.368,20 9.651,21 16.658,22 8.465,23 18.389,24 14.097,25 27.804,26 22.862,27 8.583,28 52506.4,29 2.445,30 2.445,31 5.209,33 4.108,34 0.115,35 0.171,36 669.348,37 25.739,38 25.739,39 25.739,40 25.739,41 25.739,42 3.956,43 0.104,44 4.211,45 3292,46 4.36,47 15.207,48 5.174,49 3.485,50 18.186,51 275.741,52 664.568,53 0.081,54 113.281,55 119.519,56 26.554,57 633,58 60.223,59 3.874,60 21.015,61 13.029,62 16.14,63 7.053,64 22.2,65 1334,66 3.365,67 62.205,68 4.181,69 20.097,70 8.1}
{0 CHEMBL1996702,1 5.211,2 0.17,3 0.272,4 30.912,5 1,6 1.745,7 1,8 2.236,9 1.761,10 16.351,11 3.782,12 2223.91,13 3.827,14 258.964,15 31.748,16 3.687,17 3.693,18 183.751,19 23.19,20 8.173,21 14.294,22 8.255,23 16.351,24 12.599,25 23.921,26 20.403,27 7.5,28 34382.9,29 2.457,30 2.457,31 5.047,32 1,33 4.04,34 0.112,35 0.177,36 599.009,37 22.748,38 22.748,39 22.748,40 22.748,41 22.748,42 3.943,43 0.112,44 3.964,45 2060,46 4.255,47 13.269,48 5.006,49 3.293,50 15.933,51 241.559,52 581.163,53 0.085,54 116.086,55 103.003,56 24.242,57 486,58 55.371,59 3.736,60 18.771,61 10.366,62 14.913,63 6.231,64 19.437,65 1032,66 3.445,67 46.81,68 4.041,69 18.18,70 6.2}
{0 CHEMBL1997007,2 0.209,3 0.333,4 19.064,6 1.557,8 1.65,9 1.632,10 11.707,11 3.641,12 992.125,13 3.718,14 188.338,15 23.754,16 3.465,17 3.456,18 115.754,19 16.812,20 6.479,21 11,22 5.413,23 11.707,24 8.848,25 16.468,26 14.588,27 5.5,28 11947.4,29 2.036,30 2.036,31 4.553,33 3.49,34 0.173,35 0.252,36 424.248,37 16.533,38 16.533,39 16.533,40 16.533,41 16.533,42 3.956,43 0.156,44 3.595,45 794,46 3.911,47 9.95,48 4.522,49 2.939,50 11.333,51 175.801,52 420.714,53 0.119,54 74.079,55 72.953,56 16.941,57 264,58 37.796,59 3.41,60 13.213,61 7.453,62 9.997,63 4.598,64 13.888,65 563,66 2.984,67 22.847,68 3.511,69 12.752,70 5.6}
{0 CHEMBL1997193,2 0.269,3 0.403,4 16.043,6 1.531,8 1.927,9 1.565,10 11.976,11 3.677,12 789.399,13 3.7,14 105.94,15 21.931,16 3.6,17 3.59,18 104.979,19 15.689,20 4.994,21 7.913,22 5.648,23 10.99,24 8.476,25 15.979,26 13.199,27 5.056,28 8757.11,29 2.023,30 2.023,31 4.497,33 3.469,34 0.167,35 0.269,36 405.145,37 15.248,38 15.248,39 15.248,40 15.248,41 15.248,42 3.877,43 0.167,44 3.12,45 640,46 3.862,47 8.734,48 4.428,49 2.426,50 12.133,51 167.012,52 399.269,53 0.128,54 65.683,55 80.313,56 17.914,57 182,58 39.497,59 3.389,60 13.044,61 6.308,62 10.182,63 4.054,64 14.455,65 384,66 2.996,67 16.008,68 3.387,69 12.248,70 5.6}
{0 CHEMBL1997197,1 5.299,2 0.201,3 0.322,4 14.93,5 1,6 1.416,7 1,8 2.029,9 1.462,10 12.212,11 3.687,12 984.882,13 3.731,14 164.795,15 23.857,16 3.554,17 3.555,18 116.172,19 17.237,20 6.496,21 10.458,22 4.873,23 11.758,24 8.775,25 16.555,26 14.206,27 5.472,28 12115.8,29 1.699,30 1.699,31 4.561,32 1,33 3.349,34 0.151,35 0.237,36 420.699,37 16.577,38 16.577,39 16.577,40 16.577,41 16.577,42 3.935,43 0.148,44 3.568,45 808,46 3.911,47 10.076,48 4.536,49 2.757,50 11.667,51 174.412,52 417.326,53 0.112,54 93.913,55 78.22,56 17.131,57 251,58 38.019,59 3.397,60 13.787,61 7.995,62 9.968,63 4.711,64 13.955,65 538,66 2.636,67 20.139,68 3.398,69 12.803,70 5.6}
{0 CHEMBL1997275,1 5.28,2 0.222,3 0.338,4 11.833,5 1,6 1.586,7 1,8 1.97,9 1.62,10 10.758,11 3.527,12 737.596,13 3.556,14 141.253,15 21.299,16 3.418,17 3.42,18 99.552,19 15.51,20 5.099,21 8.591,22 6.16,23 10.758,24 8.099,25 13.165,26 13.131,27 4.806,28 7879,29 1.902,30 1.902,31 4.435,32 1,33 3.369,34 0.181,35 0.27,36 334.913,37 15.248,38 15.248,39 15.248,40 15.248,41 15.248,42 3.998,43 0.168,44 3.193,45 570,46 3.848,47 8.837,48 4.403,49 2.465,50 10.467,51 149.094,52 355.548,53 0.128,54 95.74,55 67.105,56 15.104,57 189,58 38.262,59 3.329,60 12.605,61 5.038,62 9.67,63 4.121,64 12.013,65 420,66 2.887,67 14.091,68 3.24,69 12.291,70 5.6}
{0 CHEMBL1997335,1 16.262,2 0.226,3 0.342,4 17.693,5 3,6 1.446,7 3,8 2.058,9 1.48,10 12.262,11 3.489,12 983.3,13 3.526,14 200.109,15 23.579,16 3.394,17 3.389,18 117.635,19 18.124,20 5.36,21 9.2,22 7.44,23 12.262,24 9.165,25 15.94,26 15.387,27 5.694,28 11290.4,29 1.942,30 1.942,31 4.614,32 3,33 3.565,34 0.167,35 0.251,36 408.88,37 17.541,38 17.541,39 17.541,40 17.541,41 17.541,42 3.911,43 0.154,44 3.278,45 820,46 3.97,47 10.054,48 4.579,49 2.661,50 11.8,51 172.274,52 412.11,53 0.119,54 108.459,55 77.826,56 17.389,57 230,58 41.615,59 3.436,60 14.26,61 6.391,62 10.493,63 4.437,64 14.291,65 500,66 2.929,67 19.04,68 3.458,69 13.617,70 6.7}
{0 CHEMBL1997611,1 4.944,2 0.267,3 0.401,4 26.485,6 1.486,7 1,8 2.405,9 1.525,10 12.739,11 3.565,12 1168.33,13 3.604,14 117.711,15 25.109,16 3.318,17 3.344,18 130.405,19 17.945,20 5.589,21 9.333,22 7.011,23 12.739,24 10.041,25 18.857,26 15.477,27 5.917,28 14261,29 2.249,30 2.249,31 4.721,32 1,33 3.622,34 0.155,35 0.244,36 436.072,37 17.508,38 17.508,39 17.508,40 17.508,41 17.508,42 3.899,43 0.15,44 3.329,45 1030,46 4.013,47 10.058,48 4.633,49 2.652,50 12,51 173.67,52 415.515,53 0.117,54 52.997,55 82.7,56 19.878,57 252,58 45.293,59 3.315,60 14.845,61 7.003,62 12.172,63 4.667,64 14.653,65 518,66 3.238,67 24.25,68 3.425,69 14.244,70 5.9}
{0 CHEMBL1997892,2 0.199,3 0.319,4 22.831,6 1.66,8 2.268,9 1.693,10 12.707,11 3.749,12 1652.24,13 3.785,14 132.671,15 28.612,16 3.616,17 3.628,18 156.108,19 19.621,20 7.471,21 12.567,22 6.657,23 14.041,24 11.706,25 21.817,26 16.831,27 6.361,28 23599.4,29 2.303,30 2.303,31 4.881,33 3.544,34 0.126,35 0.222,36 459.91,37 19.074,38 19.074,39 19.074,40 19.074,41 19.074,42 3.961,43 0.131,44 3.798,45 1448,46 4.112,47 10.831,48 4.788,49 3.048,50 13.624,51 189.866,52 455.033,53 0.104,54 75.159,55 93.415,56 19.181,57 377,58 49.486,59 3.437,60 16.764,61 8.465,62 14.06,63 5.141,64 15.951,65 788,66 3.304,67 30.818,68 3.423,69 15.751,70 6.7}
{0 CHEMBL1998110,1 5.24,2 0.217,3 0.342,4 15.446,5 1,6 1.59,7 1,8 1.845,9 1.612,10 12.488,11 3.727,12 1063.76,13 3.761,14 176.567,15 24.414,16 3.632,17 3.621,18 121.309,19 17.378,20 6.298,21 10.76,22 5.465,23 12.08,24 9.212,25 17.56,26 14.744,27 5.611,28 13017.7,29 1.944,30 1.944,31 4.616,32 1,33 3.608,34 0.154,35 0.241,36 455.734,37 16.87,38 16.87,39 16.87,40 16.87,41 16.87,42 3.942,43 0.15,44 3.546,45 914,46 3.945,47 9.983,48 4.569,49 2.889,50 12.2,51 184.004,52 440.731,53 0.115,54 103.486,55 79.57,56 18.165,57 269,58 40.818,59 3.481,60 13.993,61 7.749,62 10.662,63 4.663,64 15.132,65 572,66 2.918,67 21.872,68 3.594,69 13.255,70 5.6}
{0 CHEMBL1998228,2 0.297,3 0.439,4 1.601,6 1.153,8 1.5,9 1.208,10 8.132,11 3.254,12 340.832,13 3.305,14 82.398,15 15.888,16 3.087,17 3.102,18 63.184,19 11.451,20 4.011,21 6.813,22 4.152,23 7.843,24 5.82,25 9.459,26 9.199,27 3.5,28 2831.43,29 1.438,30 1.438,31 3.972,33 2.321,34 0.253,35 0.373,36 248.721,37 11.069,38 11.069,39 11.069,40 11.069,41 11.069,42 3.855,43 0.228,44 2.84,45 238,46 3.533,47 6.621,48 3.954,49 2.281,50 7.814,51 109.124,52 258.023,53 0.176,54 66.763,55 52.135,56 11.458,57 109,58 27.395,59 2.927,60 9.591,61 3.669,62 6.981,63 3.162,64 8.964,65 239,66 2.377,67 8.469,68 2.03,69 8.909,70 4.8}
{0 CHEMBL1998470,2 0.246,3 0.378,4 9.653,6 1.602,8 2.109,9 1.66,10 10.958,11 3.66,12 758.842,13 3.713,14 153.024,15 21.509,16 3.514,17 3.507,18 100.444,19 15.317,20 5.348,21 9.136,22 5.042,23 10.669,24 8.086,25 14.855,26 12.958,27 4.917,28 8232.54,29 1.832,30 1.832,31 4.428,33 3.33,34 0.189,35 0.28,36 376.343,37 14.955,38 14.955,39 14.955,40 14.955,41 14.955,42 3.883,43 0.173,44 3.285,45 642,46 3.828,47 9.018,48 4.392,49 2.665,50 10.648,51 158.155,52 377.658,53 0.132,54 64.825,55 69.492,56 16.027,57 201,58 35.96,59 3.3,60 12.478,61 6.365,62 9.518,63 4.242,64 12.815,65 429,66 2.74,67 16.76,68 3.249,69 11.857,70 5.6}
{0 CHEMBL1998680,1 5.583,2 0.174,3 0.275,4 26.884,5 1,6 1.737,7 1,8 2.659,9 1.784,10 18.168,11 3.816,12 2768.34,13 3.847,14 317.82,15 34.451,16 3.719,17 3.719,18 211.007,19 25.487,20 8.212,21 14.395,22 8.963,23 18.168,24 14.133,25 27.21,26 22.345,27 8.333,28 46220.9,29 2.507,30 2.507,31 5.214,32 1,33 4.287,34 0.109,35 0.174,36 684.247,37 25.187,38 25.187,39 25.187,40 25.187,41 25.187,42 4.071,43 0.106,44 3.938,45 3194,46 4.357,47 14.919,48 5.159,49 3.251,50 17.767,51 268.477,52 646.844,53 0.082,54 141.967,55 114.164,56 27.286,57 547,58 62.448,59 3.838,60 20.672,61 11.698,62 16.951,63 7.054,64 21.524,65 1159,66 3.471,67 47.479,68 4.366,69 20.211,70 5.6}
{0 CHEMBL1998953,2 0.242,3 0.36,4 9.679,6 1.638,8 1.5,9 1.691,10 10.433,11 3.772,12 635.215,13 3.829,14 153.024,15 20.272,16 3.633,17 3.626,18 92.231,19 15.186,20 4.634,21 7.667,22 6.018,23 10.433,24 7.756,25 12.695,26 13.084,27 4.639,28 6499.94,29 1.763,30 1.763,31 4.365,33 3.429,34 0.193,35 0.291,36 343.439,37 14.897,38 14.897,39 14.897,40 14.897,41 14.897,42 3.89,43 0.177,44 3.025,45 554,46 3.811,47 9.062,48 4.366,49 2.398,50 10.1,51 150.952,52 360.083,53 0.137,54 68.172,55 64.533,56 14.071,57 161,58 36.309,59 3.344,60 12.372,61 5.398,62 8.97,63 4.314,64 11.919,65 359,66 2.734,67 12.898,68 3.32,69 11.903,70 5.7}
{0 CHEMBL1999120,2 0.426,3 0.598,4 14.527,6 1.223,8 -0.336,9 1.293,10 6.592,11 3.374,12 214.443,13 3.419,14 94.169,15 13.511,16 3.12,17 3.155,18 50.847,19 9.139,20 3.243,21 4.714,22 3.484,23 6.592,24 5.145,25 9.276,26 8.05,27 3.028,28 1708.94,29 1.263,30 1.263,31 3.783,33 0.891,34 0.281,35 0.458,36 253.864,37 9,38 9,39 9,40 9,41 9,42 3.673,43 0.28,44 2.357,45 146,46 3.367,47 5.127,48 3.689,49 1.689,50 6.367,51 98.981,52 233.272,53 0.215,54 27.127,55 42.025,56 10.293,57 66,58 23.62,59 2.803,60 7.595,61 3.134,62 6.377,63 2.402,64 7.957,65 135,66 2.244,67 5.918,69 7.379,70 4.2}
{0 CHEMBL1999414,2 0.15,3 0.244,4 31.347,6 1.817,8 2.617,9 1.836,10 18.843,11 3.851,12 2960.66,13 3.885,14 247.193,15 35.321,16 3.784,17 3.778,18 215.938,19 26.306,20 9.651,21 16.658,22 8.465,23 18.389,24 14.074,25 27.868,26 22.862,27 8.583,28 52506.4,29 2.445,30 2.445,31 5.209,33 4.134,34 0.115,35 0.171,36 692.591,37 25.739,38 25.739,39 25.739,40 25.739,41 25.739,42 3.969,43 0.104,44 4.211,45 3292,46 4.36,47 15.207,48 5.174,49 3.485,50 18.4,51 284.135,52 685.05,53 0.081,54 122.106,55 118.653,56 27.424,57 633,58 60.223,59 3.911,60 20.894,61 13.074,62 16.14,63 7.053,64 22.822,65 1334,66 3.366,67 62.205,68 4.225,69 20.097,70 8.9}
{0 CHEMBL1999484,2 0.17,3 0.273,4 30.151,6 1.601,8 2.005,9 1.671,10 13.633,11 3.732,12 1309.44,13 3.799,14 235.422,15 26.339,16 3.546,17 3.554,18 135.914,19 19.378,20 7.067,21 12.296,22 6.689,23 13.225,24 9.939,25 18.293,26 16.673,27 6,28 17286.4,29 2.072,30 2.072,31 4.726,33 3.561,34 0.138,35 0.217,36 471.071,37 18.679,38 18.679,39 18.679,40 18.679,41 18.679,42 3.95,43 0.133,44 3.731,45 1123,46 4.04,47 11.138,48 4.706,49 3.056,50 13.133,51 198.723,52 476.645,53 0.103,54 76.775,55 86.742,56 18.993,57 332,58 44.602,59 3.555,60 15.955,61 8.297,62 11.594,63 5.255,64 16.306,65 727,66 2.984,67 27.221,68 3.607,69 14.787,70 6.6}
{0 CHEMBL1999506,2 0.165,3 0.263,4 31.147,6 1.737,8 2.71,9 1.784,10 18.613,11 3.84,12 2999.77,13 3.878,14 317.82,15 35.488,16 3.739,17 3.741,18 219.923,19 25.913,20 8.789,21 15.205,22 8.836,23 18.613,24 14.461,25 28.184,26 22.721,27 8.472,28 52165.1,29 2.382,30 2.382,31 5.248,33 4.323,34 0.106,35 0.17,36 710.672,37 25.678,38 25.678,39 25.678,40 25.678,41 25.678,42 4.074,43 0.104,44 4.048,45 3602,46 4.382,47 15.269,48 5.198,49 3.352,50 18.333,51 280.867,52 677.076,53 0.08,54 141.967,55 116.205,56 27.993,57 593,58 63.802,59 3.887,60 21.141,61 12.351,62 17.63,63 7.308,64 22.323,65 1255,66 3.36,67 53.72,68 4.412,69 20.782,70 5.6}
{0 CHEMBL2000029,2 0.188,3 0.285,4 13.969,6 1.864,8 2.169,9 1.891,10 14.204,11 3.882,12 1373.06,13 3.912,14 200.109,15 26.956,16 3.83,17 3.821,18 144.154,19 20.254,20 5.923,21 9.276,22 8.055,23 14.204,24 10.637,25 17.655,26 16.835,27 6.278,28 18048.3,29 2.196,30 2.196,31 4.829,33 4.078,34 0.137,35 0.211,36 451.259,37 20.068,38 20.068,39 20.068,40 20.068,41 20.068,42 4.044,43 0.129,44 3.382,45 1455,46 4.121,47 11.833,48 4.809,49 2.695,50 13.9,51 200.064,52 479.917,53 0.1,54 124.317,55 87.901,56 19.794,57 269,58 50.558,59 3.614,60 16.621,61 7.191,62 12.796,63 5.633,64 16.002,65 601,66 3.175,67 25.696,68 4.149,69 16.314,70 5.6}
{0 CHEMBL2000568,2 0.266,3 0.404,4 2.428,6 1.396,8 1.5,9 1.464,10 8.737,11 3.463,12 460.808,13 3.503,14 129.482,15 17.868,16 3.316,17 3.324,18 75.527,19 12.297,20 4.539,21 7.222,22 4.28,23 8.737,24 6.611,25 10.879,26 10.282,27 3.917,28 4276.05,29 1.534,30 1.534,31 4.145,33 2.89,34 0.22,35 0.316,36 290.954,37 12.223,38 12.223,39 12.223,40 12.223,41 12.223,42 3.926,43 0.201,44 3.012,45 334,46 3.639,47 7.172,48 4.109,49 2.281,50 8.633,51 126.641,52 300.764,53 0.151,54 83.778,55 53.909,56 12.535,57 130,58 30.69,59 3.152,60 9.997,61 4.208,62 7.955,63 3.386,64 9.974,65 282,66 2.481,67 10.617,68 2.658,69 9.877,70 5.6}
{0 CHEMBL2000724,2 0.202,3 0.313,4 7.907,6 1.728,8 2.261,9 1.757,10 12.152,11 3.746,12 1038.93,13 3.776,14 141.253,15 24.069,16 3.682,17 3.68,18 119.768,19 17.295,20 5.93,21 10.56,22 6.574,23 12.152,24 9.144,25 15.23,26 14.47,27 5.472,28 12255.7,29 2.062,30 2.062,31 4.613,33 3.514,34 0.166,35 0.246,36 398.794,37 17.11,38 17.11,39 17.11,40 17.11,41 17.11,42 3.989,43 0.151,44 3.463,45 872,46 3.966,47 9.909,48 4.579,49 2.869,50 11.933,51 169.088,52 404.336,53 0.116,54 94.111,55 75.161,56 17.389,57 264,58 44.025,59 3.432,60 14.077,61 5.958,62 11.008,63 4.618,64 13.485,65 579,66 3.019,67 20.576,68 3.436,69 13.764,70 5.6}
{0 CHEMBL2001019,2 0.161,3 0.254,4 12.435,6 1.528,8 2.427,9 1.593,10 13.797,11 3.881,12 1392.28,13 3.952,14 178.282,15 26.87,16 3.651,17 3.691,18 141.181,19 20.024,20 6.825,21 12.036,22 7.576,23 13.797,24 10.261,25 16.784,26 16.7,27 6.111,28 18370.5,29 2.242,30 2.242,31 4.776,33 3.6,34 0.141,35 0.205,36 428.084,37 19.627,38 19.627,39 19.627,40 19.627,41 19.627,42 4.06,43 0.128,44 3.683,45 1264,46 4.091,47 11.66,48 4.769,49 3.071,50 13.033,51 182.207,52 436.346,53 0.098,54 87.124,55 87.356,56 18.924,57 337,58 48.42,59 3.466,60 16.506,61 6.986,62 12.282,63 5.508,64 14.842,65 756,66 3.206,67 27.459,68 3.531,69 15.823,70 5.6}
{0 CHEMBL2001149,2 0.117,3 0.192,4 7.807,6 1.877,8 2.847,9 1.899,10 16.511,11 3.883,12 2150.72,13 3.9,14 164.795,15 31.565,16 3.861,17 3.836,18 179.975,19 23.148,20 8.885,21 15.455,22 9.38,23 16.102,24 12.127,25 20.065,26 19.023,27 6.944,28 34307,29 2.473,30 2.473,31 5.016,33 3.797,34 0.117,35 0.168,36 504.896,37 22.668,38 22.668,39 22.668,40 22.668,41 22.668,42 4.138,43 0.106,44 4.073,45 1920,46 4.255,47 13.127,48 4.997,49 3.347,50 16.1,51 221.128,52 531.312,53 0.081,54 132.667,55 103.485,56 22.717,57 510,58 58.473,59 3.746,60 19.714,61 8.086,62 15.137,63 6.346,64 18.097,65 1166,66 3.396,67 40.937,68 3.734,69 18.817,70 5.7}
{0 CHEMBL2001257,2 0.155,3 0.251,4 27.434,6 1.824,8 2.635,9 1.843,10 17.432,11 3.848,12 2435.13,13 3.88,14 223.651,15 32.929,16 3.788,17 3.781,18 193.362,19 24.352,20 8.933,21 15.314,22 7.983,23 16.978,24 12.895,25 24.877,26 20.74,27 7.889,28 40165.4,29 2.429,30 2.429,31 5.093,33 4.049,34 0.124,35 0.183,36 627.067,37 23.825,38 23.825,39 23.825,40 23.825,41 23.825,42 3.968,43 0.112,44 4.093,45 2525,46 4.283,47 14.048,48 5.06,49 3.386,50 17.167,51 260.825,52 628.173,53 0.086,54 122.106,55 109.158,56 25.139,57 536,58 56.701,59 3.839,60 19.392,61 11.463,62 14.906,63 6.508,64 21,65 1137,66 3.358,67 51.086,68 4.207,69 18.63,70 6.6}
{0 CHEMBL2001451,2 0.165,3 0.263,4 32.94,6 1.737,8 2.546,9 1.784,10 18.613,11 3.84,12 2999.77,13 3.881,14 364.904,15 35.488,16 3.738,17 3.741,18 219.923,19 26.023,20 8.789,21 15.205,22 8.836,23 18.613,24 14.463,25 28.5,26 22.929,27 8.472,28 52165.1,29 2.382,30 2.382,31 5.248,33 4.349,34 0.106,35 0.17,36 732.049,37 25.678,38 25.678,39 25.678,40 25.678,41 25.678,42 4.074,43 0.104,44 4.048,45 3602,46 4.382,47 15.269,48 5.198,49 3.352,50 18.567,51 292.189,52 704.701,53 0.08,54 161.884,55 115.832,56 27.993,57 593,58 63.762,59 3.929,60 21.304,61 12.565,62 17.63,63 7.308,64 23.415,65 1255,66 3.36,67 53.72,68 4.453,69 20.782,70 6.2}
{0 CHEMBL2001539,2 0.392,3 0.544,4 5.708,6 1.221,8 0.504,9 1.269,10 6.404,11 3.259,12 144.169,13 3.342,14 82.398,15 11.575,16 3.076,17 3.068,18 40.003,19 8.763,20 2.834,21 4.167,22 3.04,23 5.949,24 4.425,25 6.695,26 7.319,27 2.583,28 1001.08,29 1.139,30 1.139,31 3.57,33 0.067,34 0.3,35 0.479,36 188.73,37 8.5,38 8.5,39 8.5,40 8.5,41 8.5,42 3.66,43 0.295,44 2.184,45 76,46 3.27,47 4.985,48 3.557,49 1.459,50 6.133,51 87.931,52 206.312,53 0.226,54 26.173,55 41.192,56 8.32,57 50,58 21.676,59 2.881,60 7.338,61 2.346,62 5.287,63 2.338,64 7.318,65 114,66 2.09,67 3.333,69 6.926,70 4.9}
{0 CHEMBL2001584,1 5.319,2 0.135,3 0.219,4 39.802,6 1.833,8 2.921,9 1.865,10 21.045,11 3.919,12 4020.71,13 3.952,14 400.217,15 39.26,16 3.8,17 3.814,18 258.36,19 29.697,20 9.921,21 17.364,22 10.455,23 21.045,24 16.389,25 31.3,26 26.44,27 9.556,28 76772.4,29 2.747,30 2.747,31 5.425,32 1,33 4.425,34 0.087,35 0.148,36 790.585,37 29.203,38 29.203,39 29.203,40 29.203,41 29.203,42 3.982,43 0.09,44 4.25,45 4678,46 4.507,47 16.82,48 5.371,49 3.537,50 20.667,51 312.912,52 755.266,53 0.069,54 153.978,55 132.215,56 31.432,57 764,58 73.971,59 4.004,60 24.289,61 13.247,62 19.719,63 7.845,64 25.386,65 1642,66 3.752,67 68.027,68 4.412,69 23.568,70 5.6}
{0 CHEMBL2001613,2 0.456,3 0.633,4 3.801,6 0.916,8 -1.016,9 0.937,10 5.848,11 2.928,12 120.165,13 2.974,14 35.313,15 10.65,16 2.837,17 2.811,18 35.454,19 7.57,20 2.809,21 4.273,22 2.536,23 5.271,24 4.002,25 6.975,26 6.058,27 2.389,28 787.093,29 0.708,30 0.708,31 3.439,33 0.067,34 0.374,35 0.541,36 193.478,37 7.293,38 7.293,39 7.293,40 7.293,41 7.293,42 3.454,43 0.336,44 2.185,45 71,46 3.148,47 4.222,48 3.376,49 1.495,50 5.967,51 80.919,52 189.203,53 0.255,54 28.429,55 41.482,56 8.845,57 47,58 18.4,59 2.594,60 6.411,61 2.411,62 4.897,63 2.001,64 7.09,65 99,66 1.658,67 3.405,69 5.905,70 4.8}
{0 CHEMBL2001641,2 0.265,3 0.404,4 12.653,6 1.233,8 1.381,9 1.318,10 8.538,11 3.507,12 463.267,13 3.577,14 58.856,15 17.876,16 3.282,17 3.303,18 75.643,19 11.995,20 4.6,21 7.278,22 3.883,23 8.538,24 6.597,25 11.233,26 10.152,27 3.722,28 4297.35,29 1.534,30 1.534,31 4.145,33 2.883,34 0.22,35 0.356,36 314.876,37 11.781,38 11.781,39 11.781,40 11.781,41 11.781,42 3.94,43 0.215,44 3.028,45 324,46 3.631,47 6.684,48 4.078,49 2.261,50 8.333,51 124.102,52 294.568,53 0.167,54 65.951,55 54.164,56 12.751,57 131,58 31.84,59 3.061,60 10.245,61 3.817,62 8.66,63 3.174,64 10.123,65 283,66 2.517,67 11.111,68 2.809,69 9.883,70 4.2}
{0 CHEMBL2001704,2 0.376,3 0.526,4 3.162,6 1.149,8 0.446,9 1.208,10 6.768,11 3.04,12 183.083,13 3.106,14 47.084,15 12.583,16 2.991,17 2.916,18 45.29,19 9.376,20 3.057,21 4.692,22 3.717,23 6.36,24 4.739,25 7.267,26 7.395,27 2.778,28 1315.23,29 1.381,30 1.381,31 3.679,33 0.79,34 0.325,35 0.462,36 188.566,37 9,38 9,39 9,40 9,41 9,42 3.682,43 0.279,44 2.347,45 105,46 3.34,47 5.23,48 3.648,49 1.826,50 6.433,51 89,52 208.92,53 0.219,54 39.191,55 43.94,56 9.19,57 61,58 23.34,59 2.799,60 8.09,61 2.419,62 5.836,63 2.475,64 7.453,65 136,66 2.337,67 5.006,68 0.255,69 7.416,70 4.2}
{0 CHEMBL2001923,1 11.47,2 0.093,3 0.152,4 44.122,5 1,6 1.886,7 1,8 2.945,9 1.912,10 23.175,11 3.946,12 5482.49,13 3.979,14 374.471,15 43.794,16 3.849,17 3.855,18 306.747,19 35.132,20 11.502,21 20.46,22 14.072,23 24.39,24 18.697,25 32.243,26 30.134,27 10.694,28 117780,29 2.777,30 2.777,31 5.607,32 2,33 4.522,34 0.082,35 0.12,36 744.934,37 34.341,38 34.341,39 34.341,40 34.341,41 34.341,42 4.042,43 0.075,44 4.476,45 6522,46 4.662,47 20.02,48 5.591,49 3.752,50 23.357,51 325.514,52 786.013,53 0.057,54 155.357,55 153.891,56 31.581,57 1023,58 86.723,59 4.105,60 29.512,61 13.737,62 22.413,63 9.57,64 26.888,65 2307,66 3.765,67 92.853,68 4.511,69 28.175,70 5.6}
{0 CHEMBL2001987,2 0.223,3 0.349,4 19.433,6 1.433,8 2.045,9 1.473,10 10.22,11 3.545,12 1128.31,13 3.589,14 112.318,15 24.964,16 3.38,17 3.392,18 127.11,19 17.329,20 6.213,21 9.808,22 6.248,23 12.253,24 10.249,25 17.874,26 14.548,27 5.528,28 14197.3,29 2.134,30 2.134,31 4.679,33 3.23,34 0.165,35 0.254,36 360.677,37 16.764,38 16.764,39 16.764,40 16.764,41 16.764,42 3.95,43 0.149,44 3.472,45 932,46 3.979,47 9.633,48 4.592,49 2.643,50 11.362,51 152.886,52 364.801,53 0.119,54 65.905,55 79.757,56 14.656,57 255,58 42.949,59 3.226,60 14.862,61 6.757,62 12.136,63 4.553,64 12.734,65 538,66 3.068,67 19.692,68 3.17,69 13.813,70 5.6}
{0 CHEMBL2002099,2 0.213,3 0.326,4 6.822,6 1.507,8 1.857,9 1.577,10 11.365,11 3.765,12 817.862,13 3.828,14 188.338,15 22.279,16 3.603,17 3.616,18 106.314,19 16.506,20 5.368,21 8.217,22 5.501,23 11.365,24 8.479,25 14.267,26 14.344,27 5.139,28 9238.71,29 1.661,30 1.661,31 4.498,33 3.28,34 0.174,35 0.258,36 384.706,37 16.215,38 16.215,39 16.215,40 16.215,41 16.215,42 4.016,43 0.159,44 3.233,45 634,46 3.888,47 9.756,48 4.483,49 2.392,50 10.9,51 161.613,52 386.096,53 0.122,54 47.014,55 70.932,56 15.648,57 189,58 39.944,59 3.379,60 13.317,61 6.043,62 9.78,63 4.518,64 12.813,65 419,66 2.625,67 17.149,68 3.408,69 12.839,70 5.6}
{0 CHEMBL2002105,2 0.456,3 0.633,4 4.806,6 0.913,8 -1.016,9 0.951,10 5.848,11 2.898,12 120.165,13 3.011,14 25.258,15 10.65,16 2.637,17 2.659,18 35.454,19 7.612,20 2.809,21 4.273,22 2.536,23 5.271,24 3.982,25 6.914,26 6.058,27 2.389,28 787.093,29 0.708,30 0.708,31 3.439,33 0.13,34 0.374,35 0.541,36 180.7,37 7.293,38 7.293,39 7.293,40 7.293,41 7.293,42 3.469,43 0.335,44 2.185,45 71,46 3.148,47 4.222,48 3.376,49 1.495,50 5.933,51 80.919,52 189.203,53 0.255,54 18.524,55 41.648,56 8.845,57 47,58 18.4,59 2.543,60 6.48,61 2.375,62 4.897,63 2.001,64 7.09,65 99,66 1.632,67 3.405,69 5.905,70 4.1}
{0 CHEMBL2002586,1 5.417,2 0.162,3 0.256,4 29.362,6 1.573,8 2.24,9 1.624,10 14.002,11 3.84,12 1264.69,13 3.891,14 164.795,15 26.055,16 3.735,17 3.719,18 134.275,19 19.56,20 6.577,21 11.037,22 6.828,23 13.259,24 9.989,25 17.619,26 16.875,27 5.778,28 16294.4,29 2.179,30 2.179,31 4.727,32 1,33 3.608,34 0.145,35 0.211,36 446.173,37 18.756,38 18.756,39 18.756,40 18.756,41 18.756,42 3.971,43 0.13,44 3.603,45 1060,46 4.046,47 11.079,48 4.716,49 2.894,50 13.381,51 192.998,52 462.674,53 0.1,54 48.678,55 90.479,56 19.071,57 298,58 46.714,59 3.574,60 16.736,61 7.51,62 12.085,63 5.327,64 16.315,65 679,66 3.078,67 24.881,68 3.655,69 15.37,70 5.6}
{0 CHEMBL2002599,1 5.577,2 0.163,3 0.256,4 25.715,6 1.589,8 2.147,9 1.64,10 13.759,11 3.834,12 1372.05,13 3.893,14 188.338,15 26.833,16 3.638,17 3.669,18 140.714,19 19.966,20 6.659,21 11.429,22 7.428,23 13.759,24 10.341,25 17.352,26 17.323,27 6.028,28 18081,29 2.207,30 2.207,31 4.777,32 1,33 3.771,34 0.14,35 0.205,36 441.852,37 19.463,38 19.463,39 19.463,40 19.463,41 19.463,42 3.957,43 0.128,44 3.63,45 1300,46 4.09,47 11.578,48 4.769,49 2.937,50 13.067,51 188.062,52 450.631,53 0.098,54 77.219,55 86.932,56 18.924,57 320,58 48.12,59 3.521,60 16.666,61 7.342,62 12.451,63 5.568,64 15.207,65 723,66 3.163,67 26.663,68 3.769,69 15.874,70 5.6}
{0 CHEMBL2002690,2 0.184,3 0.29,4 13.88,6 1.724,8 2.189,9 1.757,10 13.112,11 3.752,12 1148.94,13 3.789,14 141.253,15 25.187,16 3.679,17 3.672,18 127.683,19 18.23,20 6.371,21 10.385,22 6.541,23 12.704,24 9.574,25 16.701,26 15.085,27 5.694,28 14520.9,29 2,30 2,31 4.677,33 3.513,34 0.156,35 0.225,36 423.676,37 17.861,38 17.861,39 17.861,40 17.861,41 17.861,42 4.015,43 0.139,44 3.535,45 962,46 4.004,47 10.734,48 4.65,49 2.749,50 12.7,51 180.349,52 431.811,53 0.107,54 113.715,55 82.683,56 18.286,57 270,58 43.584,59 3.502,60 15.033,61 7.239,62 11.353,63 5.138,64 14.456,65 596,66 2.943,67 21.231,68 3.513,69 14.37,70 5.6}
{0 CHEMBL2002992,2 0.232,3 0.363,4 12.427,6 1.465,8 1.5,9 1.529,10 10.148,11 3.575,12 695.406,13 3.639,14 164.795,15 20.859,16 3.391,17 3.398,18 95.155,19 14.318,20 5.478,21 8.857,22 4.558,23 10.148,24 7.805,25 14.394,26 12.85,27 4.611,28 7410.69,29 1.548,30 1.548,31 4.366,33 3.371,34 0.194,35 0.284,36 389.264,37 14.137,38 14.137,39 14.137,40 14.137,41 14.137,42 3.972,43 0.176,44 3.311,45 537,46 3.781,47 8.271,48 4.322,49 2.529,50 9.933,51 158.604,52 378.754,53 0.133,54 45.873,55 63.07,56 14.82,57 186,58 34.918,59 3.355,60 11.6,61 6.062,62 9.178,63 3.872,64 12.303,65 401,66 2.515,67 14.939,68 3.386,69 11.327,70 5.6}
{0 CHEMBL2003514,1 5.213,2 0.202,3 0.323,4 13.021,5 1,6 1.646,7 1,8 1.827,9 1.681,10 12.169,11 3.733,12 1096.32,13 3.773,14 167.123,15 24.719,16 3.598,17 3.614,18 122.669,19 17.476,20 6.73,21 11.56,22 5.487,23 12.169,24 9.181,25 16.906,26 14.874,27 5.667,28 13714.9,29 1.897,30 1.897,31 4.615,32 1,33 3.418,34 0.145,35 0.229,36 439.209,37 17.077,38 17.077,39 17.077,40 17.077,41 17.077,42 3.945,43 0.145,44 3.654,45 923,46 3.949,47 10.211,48 4.583,49 2.953,50 11.767,51 176.74,52 423.007,53 0.109,54 112.755,55 76.523,56 17.648,57 289,58 40.108,59 3.404,60 13.765,61 7.757,62 10.464,63 4.76,64 14.009,65 616,66 2.847,67 23.984,68 3.324,69 13.254,70 5.6}
{0 CHEMBL2004025,1 26.095,2 0.317,3 0.478,4 19.814,5 2,6 1.661,7 3,8 1.839,9 1.639,10 14.728,11 3.743,12 1376.8,13 3.739,14 258.964,15 26.902,16 3.666,17 3.634,18 144.521,19 19.647,20 5.992,21 9.414,22 6.305,23 13.801,24 10.897,25 23.126,26 17.281,27 6.681,28 18377.4,29 2.134,30 2.134,31 4.822,32 5,33 4.063,34 0.148,35 0.231,36 545.623,37 19.162,38 19.162,39 19.162,40 19.162,41 19.162,42 3.897,43 0.141,44 3.391,45 1469,46 4.071,47 11.639,48 4.752,49 2.651,50 13.4,51 207.642,52 498.405,53 0.109,54 96.697,55 99.38,56 21.691,57 273,58 43.002,59 3.509,60 15.38,61 10.572,62 12.47,63 5.351,64 17.369,65 542,66 3.064,67 27.988,68 3.994,69 14.706,70 5.6}
{0 CHEMBL2004118,1 5.397,2 0.187,3 0.296,4 23.513,6 1.575,8 1.85,9 1.629,10 12.53,11 3.685,12 1055.83,13 3.735,14 211.88,15 24.357,16 3.483,17 3.496,18 120.986,19 17.935,20 6.242,21 10.32,22 6.373,23 12.242,24 9.216,25 16.64,26 15.436,27 5.528,28 12819.5,29 2.084,30 2.084,31 4.618,32 1,33 3.435,34 0.161,35 0.234,36 423.187,37 17.317,38 17.317,39 17.317,40 17.317,41 17.317,42 3.979,43 0.145,44 3.519,45 843,46 3.968,47 10.245,48 4.592,49 2.779,50 12.048,51 179.668,52 430.15,53 0.111,54 58.902,55 79.878,56 17.725,57 258,58 41.698,59 3.445,60 14.851,61 7.199,62 10.815,63 4.798,64 14.806,65 571,66 3.024,67 21.526,68 3.496,69 13.797,70 5.6}
{0 CHEMBL2004159,1 5.164,2 0.195,3 0.315,4 12.058,5 1,6 1.644,7 1,8 1.77,9 1.679,10 11.758,11 3.732,12 1011.26,13 3.772,14 178.894,15 24.034,16 3.597,17 3.613,18 116.83,19 16.97,20 6.779,21 11.583,22 5.238,23 11.758,24 8.799,25 15.942,26 14.35,27 5.472,28 12461.2,29 1.896,30 1.896,31 4.556,32 1,33 3.28,34 0.151,35 0.237,36 408.947,37 16.577,38 16.577,39 16.577,40 16.577,41 16.577,42 3.937,43 0.149,44 3.664,45 832,46 3.913,47 10.018,48 4.536,49 2.939,50 11.267,51 167.148,52 399.601,53 0.112,54 103.93,55 74.105,56 16.778,57 278,58 38.037,59 3.343,60 13.272,61 7.557,62 9.934,63 4.686,64 13.139,65 595,66 2.846,67 23.389,68 3.207,69 12.776,70 5.6}
{0 CHEMBL2004290,1 5.14,2 0.135,3 0.219,4 25.408,5 1,6 1.826,7 1,8 2.903,9 1.845,10 18.651,11 3.913,12 2934.72,13 3.946,14 200.109,15 35.115,16 3.806,17 3.811,18 214.88,19 25.947,20 9.385,21 16.711,22 9.307,23 18.197,24 14.006,25 26.164,26 22.033,27 8.125,28 50960.5,29 2.596,30 2.596,31 5.211,32 1,33 4.096,34 0.113,35 0.167,36 659.647,37 25.298,38 25.298,39 25.298,40 25.298,41 25.298,42 3.978,43 0.102,44 4.175,45 3110,46 4.368,47 14.569,48 5.165,49 3.514,50 18.233,51 268.218,52 646.213,53 0.079,54 140.911,55 118.541,56 27.217,57 635,58 64.344,59 3.864,60 21.679,61 10.73,62 17.557,63 6.888,64 22.043,65 1378,66 3.564,67 56.817,68 4.22,69 20.701,70 8.6}
{0 CHEMBL2004438,2 0.158,3 0.257,4 19.34,6 1.802,8 2.554,9 1.834,10 13.597,11 3.855,12 1814.98,13 3.89,14 141.253,15 29.673,16 3.766,17 3.772,18 164.333,19 20.973,20 8.03,21 13.419,22 7.527,23 14.809,24 11.874,25 20.641,26 17.648,27 6.611,28 27113,29 2.388,30 2.388,31 4.929,33 3.604,34 0.133,35 0.209,36 460.776,37 20.488,38 20.488,39 20.488,40 20.488,41 20.488,42 3.978,43 0.123,44 3.903,45 1585,46 4.165,47 11.899,48 4.87,49 3.127,50 14.19,51 198.662,52 476.495,53 0.098,54 112.857,55 93.693,56 19.51,57 416,58 52.024,59 3.543,60 17.656,61 8.249,62 14.262,63 5.652,64 15.942,65 900,66 3.348,67 33.101,68 3.573,69 16.79,70 7.1}
{0 CHEMBL2004637,2 0.18,3 0.283,4 29.74,6 1.737,8 2.578,9 1.784,10 17.706,11 3.848,12 2550.31,13 3.889,14 317.82,15 33.497,16 3.741,17 3.744,18 202.805,19 24.977,20 7.774,21 12.973,22 8.802,23 17.706,24 13.716,25 26.554,26 21.918,27 8.167,28 41459.9,29 2.423,30 2.423,31 5.181,33 4.318,34 0.111,35 0.178,36 677.149,37 24.643,38 24.643,39 24.643,40 24.643,41 24.643,42 4.075,43 0.109,44 3.829,45 2850,46 4.331,47 14.442,48 5.118,49 3.068,50 17.567,51 273.004,52 657.89,53 0.084,54 153.917,55 110.082,56 26.579,57 480,58 60.815,59 3.862,60 20.152,61 11.263,62 16.437,63 6.67,64 21.785,65 1017,66 3.393,67 41.92,68 4.394,69 19.659,70 6.8}
{0 CHEMBL2004716,2 0.145,3 0.237,4 29.302,6 1.83,8 2.77,9 1.85,10 19.326,11 3.852,12 3170.5,13 3.885,14 270.735,15 36.223,16 3.788,17 3.782,18 224.351,19 26.959,20 10.094,21 17.385,22 8.537,23 18.872,24 14.41,25 28.589,26 23.348,27 8.806,28 58247.5,29 2.455,30 2.455,31 5.247,33 4.151,34 0.112,35 0.166,36 709.009,37 26.394,38 26.394,39 26.394,40 26.394,41 26.394,42 3.969,43 0.101,44 4.279,45 3607,46 4.385,47 15.62,48 5.213,49 3.526,50 18.9,51 290.8,52 701.312,53 0.078,54 141.059,55 121.552,56 28.131,57 678,58 61.827,59 3.931,60 21.392,61 13.586,62 16.588,63 7.27,64 23.27,65 1427,66 3.4,67 66.447,68 4.242,69 20.596,70 7.9}
{0 CHEMBL2005449,2 0.214,3 0.339,4 23.226,6 1.511,8 2.076,9 1.558,10 10.975,11 3.781,12 797.391,13 3.83,14 141.253,15 22.044,16 3.625,17 3.644,18 102.586,19 15.376,20 5.95,21 10,22 4.525,23 10.687,24 8.033,25 14.818,26 12.749,27 4.833,28 9036.37,29 1.957,30 1.957,31 4.431,33 3.377,34 0.161,35 0.242,36 376.154,37 14.894,38 14.894,39 14.894,40 14.894,41 14.894,42 3.946,43 0.157,44 3.452,45 662,46 3.829,47 9.067,48 4.407,49 2.732,50 10.614,51 158.155,52 377.658,53 0.119,54 75.159,55 69.883,56 15.864,57 220,58 35.473,59 3.264,60 12.746,61 6.771,62 9.646,63 4.424,64 12.724,65 473,66 2.8,67 19,68 3.32,69 11.916,70 5.6}
{0 CHEMBL2005478,1 5.347,2 0.23,3 0.347,4 9.12,5 1,6 1.615,7 1,8 2.226,9 1.665,10 11.23,11 3.522,12 733.361,13 3.564,14 141.253,15 21.196,16 3.379,17 3.378,18 99.114,19 15.618,20 5.014,21 8.5,22 6.325,23 10.652,24 8.058,25 13.794,26 12.715,27 4.722,28 7742.32,29 2.063,30 2.063,31 4.431,32 1,33 3.343,34 0.187,35 0.274,36 348.131,37 14.989,38 14.989,39 14.989,40 14.989,41 14.989,42 4.038,43 0.17,44 3.175,45 600,46 3.845,47 8.533,48 4.388,49 2.495,50 11.267,51 154.342,52 368.355,53 0.131,54 77.178,55 75.33,56 16.267,57 187,58 38.751,59 3.299,60 13.299,61 5.109,62 9.962,63 4.011,64 13.678,65 413,66 2.923,67 15.479,68 3.267,69 12.291,70 5.6}
{0 CHEMBL2005699,1 5.185,2 0.179,3 0.282,4 24.259,5 1,6 1.737,7 1,8 2.656,9 1.784,10 16.63,11 3.814,12 2276.93,13 3.844,14 270.735,15 32.148,16 3.719,17 3.719,18 189.019,19 23.131,20 7.666,21 12.914,22 8.448,23 16.63,24 12.992,25 24.336,26 20.008,27 7.5,28 35586.3,29 2.505,30 2.505,31 5.096,32 1,33 4.127,34 0.118,35 0.188,36 613.251,37 22.902,38 22.902,39 22.902,40 22.902,41 22.902,42 4.071,43 0.114,44 3.827,45 2507,46 4.277,47 13.285,48 5.033,49 3.086,50 16.367,51 242.498,52 583.455,53 0.089,54 141.967,55 104.352,56 25.165,57 452,58 59.091,59 3.747,60 19.111,61 9.828,62 16.086,63 6.318,64 19.61,65 963,66 3.459,67 40.682,68 4.179,69 18.745,70 5.6}
{0 CHEMBL2005792,1 5.376,2 0.205,3 0.314,4 14.925,5 1,6 1.731,7 1,8 2.461,9 1.784,10 14.52,11 3.838,12 1647.61,13 3.883,14 262.153,15 28.592,16 3.675,17 3.683,18 158.562,19 21.532,20 6.454,21 10.806,22 8,23 14.914,24 11.428,25 21.165,26 18.371,27 6.833,28 22829.4,29 2.367,30 2.367,31 4.92,32 1,33 4.084,34 0.139,35 0.208,36 536.444,37 20.894,38 20.894,39 20.894,40 20.894,41 20.894,42 3.901,43 0.126,44 3.543,45 1781,46 4.166,47 11.986,48 4.87,49 2.854,50 14.352,51 212.911,52 511.262,53 0.099,54 104.343,55 94.89,56 21.14,57 335,58 51.279,59 3.589,60 17.648,61 8.578,62 13.773,63 5.513,64 17.503,65 713,66 3.29,67 31.27,68 4.015,69 16.624,70 5.6}
{0 CHEMBL2006299,1 5.184,2 0.195,3 0.315,4 12.058,5 1,6 1.682,7 1,8 1.77,9 1.717,10 11.758,11 3.745,12 1011.26,13 3.782,14 200.109,15 24.034,16 3.638,17 3.644,18 116.83,19 16.86,20 6.779,21 11.583,22 5.238,23 11.758,24 8.819,25 16.067,26 14.35,27 5.472,28 12461.2,29 1.896,30 1.896,31 4.556,32 1,33 3.345,34 0.151,35 0.237,36 419.586,37 16.577,38 16.577,39 16.577,40 16.577,41 16.577,42 3.94,43 0.15,44 3.664,45 832,46 3.913,47 10.018,48 4.536,49 2.939,50 11.467,51 172.744,52 413.256,53 0.112,54 123.74,55 73.197,56 16.778,57 278,58 38.037,59 3.42,60 13.09,61 7.646,62 9.934,63 4.686,64 13.399,65 595,66 2.876,67 23.389,68 3.343,69 12.776,70 5.6}
{0 CHEMBL2006450,2 0.236,3 0.365,4 9.653,6 1.649,8 2.109,9 1.707,10 11.458,11 3.698,12 858.609,13 3.754,14 176.567,15 22.513,16 3.566,17 3.555,18 107.374,19 16.024,20 5.698,21 9.913,22 5.356,23 11.169,24 8.468,25 15.816,26 13.665,27 5.167,28 9703.3,29 1.846,30 1.846,31 4.49,33 3.409,34 0.181,35 0.269,36 402.42,37 15.662,38 15.662,39 15.662,40 15.662,41 15.662,42 3.887,43 0.166,44 3.394,45 735,46 3.87,47 9.543,48 4.458,49 2.752,50 11.148,51 167.747,52 401.063,53 0.127,54 64.825,55 72.492,56 16.734,57 228,58 36.912,59 3.363,60 12.978,61 7.008,62 9.871,63 4.535,64 13.522,65 486,66 2.753,67 19.085,68 3.371,69 12.357,70 5.6}
{0 CHEMBL2006564,2 0.182,3 0.289,4 28.021,6 1.495,8 2.424,9 1.557,10 12.635,11 3.843,12 1160.81,13 3.905,14 131.197,15 25.237,16 3.708,17 3.706,18 128.049,19 18.233,20 6.522,21 10.5,22 5.752,23 12.635,24 9.584,25 16.947,26 15.754,27 5.694,28 14755,29 2.133,30 2.133,31 4.672,33 3.492,34 0.155,35 0.226,36 432.966,37 17.765,38 17.765,39 17.765,40 17.765,41 17.765,42 3.967,43 0.14,44 3.572,45 972,46 3.991,47 10.326,48 4.637,49 2.749,50 12.133,51 181.996,52 435.831,53 0.107,54 67.298,55 79.468,56 18.096,57 273,58 43.658,59 3.447,60 15.031,61 7.021,62 11.464,63 4.813,64 14.783,65 598,66 3.081,67 24.568,68 3.461,69 14.271,70 6.8}
{0 CHEMBL2006674,2 0.201,3 0.309,4 27.103,6 1.723,8 1.939,9 1.775,10 14.19,11 3.856,12 1412.83,13 3.918,14 235.422,15 27.167,16 3.712,17 3.709,18 145.562,19 20.527,20 6.253,21 10.103,22 7.359,23 14.19,24 10.745,25 20.081,26 18.122,27 6.556,28 18942,29 2.081,30 2.081,31 4.827,33 4.12,34 0.144,35 0.211,36 527.048,37 20.102,38 20.102,39 20.102,40 20.102,41 20.102,42 4.043,43 0.13,44 3.48,45 1381,46 4.108,47 12.016,48 4.8,49 2.728,50 13.567,51 210.903,52 506.362,53 0.101,54 71.856,55 89.514,56 20.217,57 293,58 47.118,59 3.609,60 16.457,61 9.077,62 12.277,63 5.543,64 16.79,65 630,66 3.035,67 27.608,68 4.22,69 15.733,70 5.6}
{0 CHEMBL2006765,2 0.203,3 0.324,4 23.927,6 1.557,8 1.967,9 1.632,10 12.207,11 3.642,12 1419.71,13 3.718,14 153.024,15 27.07,16 3.465,17 3.456,18 142.55,19 19.079,20 7.196,21 12.464,22 5.975,23 13.353,24 10.733,25 20.12,26 16.527,27 6.125,28 19325.8,29 2.105,30 2.105,31 4.773,33 3.685,34 0.15,35 0.218,36 449.902,37 18.472,38 18.472,39 18.472,40 18.472,41 18.472,42 3.956,43 0.135,44 3.756,45 1328,46 4.053,47 10.981,48 4.719,49 3.071,50 12.59,51 186.19,52 446.063,53 0.105,54 65.254,55 85.535,56 17.648,57 349,58 44.838,59 3.42,60 15.891,61 8.591,62 12.688,63 5.208,64 15.022,65 729,66 3.033,67 31.061,68 3.557,69 14.803,70 5.9}
{0 CHEMBL2007124,2 0.189,3 0.306,4 21.987,6 1.608,8 2.038,9 1.644,10 11.597,11 3.717,12 1333.06,13 3.759,14 117.711,15 26.536,16 3.553,17 3.573,18 137.138,19 17.967,20 7.422,21 12.556,22 5.847,23 12.809,24 10.391,25 18.68,26 15.528,27 5.778,28 18049.7,29 2.263,30 2.263,31 4.727,33 3.35,34 0.133,35 0.245,36 409.598,37 17.574,38 17.574,39 17.574,40 17.574,41 17.574,42 3.952,43 0.144,44 3.798,45 1126,46 4.017,47 10.27,48 4.663,49 3.087,50 12.124,51 170.743,52 408.372,53 0.114,54 94.762,55 81.982,56 16.941,57 339,58 44.468,59 3.351,60 15.006,61 7.644,62 12.473,63 4.918,64 13.671,65 715,66 3.261,67 27.893,68 3.279,69 14.328,70 5.6}
{0 CHEMBL2007266,1 6.028,2 0.131,3 0.213,4 27.402,5 1,6 1.761,7 1,8 2.804,9 1.788,10 17.564,11 3.94,12 2774.21,13 3.976,14 250.382,15 34.592,16 3.803,17 3.814,18 208.366,19 25.638,20 9.409,21 16.081,22 8.986,23 17.974,24 13.676,25 24.87,26 21.694,27 8.083,28 48085.7,29 2.478,30 2.478,31 5.173,32 1,33 4.013,34 0.115,35 0.17,36 595.36,37 25.154,38 25.154,39 25.154,40 25.154,41 25.154,42 4.014,43 0.104,44 4.165,45 2966,46 4.347,47 14.898,48 5.15,49 3.362,50 17.352,51 254.289,52 612.226,53 0.08,54 133.058,55 112.824,56 24.907,57 595,58 61.493,59 3.804,60 21.048,61 11.072,62 16.245,63 7.104,64 20.293,65 1298,66 3.443,67 56.995,68 4.084,69 20.253,70 7}
{0 CHEMBL2007375,2 0.213,3 0.337,4 18.659,6 1.552,8 2.211,9 1.585,10 11.652,11 3.604,12 1264.89,13 3.642,14 129.482,15 25.975,16 3.513,17 3.514,18 134.599,19 18.254,20 6.613,21 11,22 6.225,23 12.864,24 10.437,25 18.542,26 15.176,27 5.889,28 16492,29 2.165,30 2.165,31 4.729,33 3.477,34 0.154,35 0.245,36 415.147,37 17.789,38 17.789,39 17.789,40 17.789,41 17.789,42 3.949,43 0.144,44 3.604,45 1104,46 4.019,47 10.533,48 4.663,49 2.89,50 12.29,51 173.411,52 414.884,53 0.114,54 84.206,55 81.687,56 16.941,57 297,58 44.767,59 3.37,60 15.159,61 7.554,62 12.255,63 4.947,64 14.055,65 623,66 3.126,67 23.202,68 3.455,69 14.321,70 5.6}
{0 CHEMBL2007421,1 5.502,2 0.201,3 0.321,4 28.193,5 1,6 1.568,7 1,8 2.019,9 1.62,10 12.797,11 3.777,12 1308.45,13 3.824,14 97.358,15 26.317,16 3.595,17 3.623,18 135.951,19 18.471,20 7.041,21 12.148,22 5.651,23 12.902,24 9.903,25 19.488,26 15.635,27 5.889,28 17371,29 2.206,30 2.206,31 4.723,32 1,33 3.537,34 0.135,35 0.212,36 472.897,37 17.756,38 17.756,39 17.756,40 17.756,41 17.756,42 3.943,43 0.133,44 3.728,45 1191,46 4.017,47 10.475,48 4.672,49 3.087,50 12.633,51 189.328,52 453.721,53 0.102,54 72.999,55 85.311,56 19.018,57 328,58 43.611,59 3.407,60 15.593,61 8.611,62 12.06,63 5.045,64 15.75,65 690,66 3.122,67 27.169,68 3.558,69 14.321,70 5.6}
{0 CHEMBL2007479,2 0.292,3 0.452,4 12.359,6 1.458,8 1.5,9 1.466,10 9.628,11 3.646,12 559.716,13 3.71,14 141.253,15 19.211,16 3.516,17 3.493,18 83.095,19 13.206,20 5.23,21 9.053,22 3.633,23 9.22,24 7.02,25 14.003,26 11.479,27 4.417,28 5544.11,29 1.539,30 1.539,31 4.21,33 3.086,34 0.207,35 0.33,36 364.799,37 12.905,38 12.905,39 12.905,40 12.905,41 12.905,42 3.842,43 0.203,44 3.273,45 463,46 3.666,47 8.034,48 4.178,49 2.721,50 9.367,51 148.222,52 353.422,53 0.156,54 56.206,55 61.128,56 14.018,57 172,58 29.514,59 3.255,60 10.376,61 6.664,62 7.732,63 3.798,64 11.666,65 353,66 2.5,67 15.202,68 3.029,69 9.844,70 5.6}
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{0 CHEMBL55137,2 0.203,3 0.314,4 26.173,6 1.662,8 2.44,9 1.737,10 14.473,11 3.768,12 1563.05,13 3.844,14 258.964,15 27.937,16 3.583,17 3.583,18 152.207,19 20.793,20 6.541,21 11,22 8.487,23 14.473,24 11.106,25 20.953,26 17.927,27 6.722,28 20932.3,29 2.316,30 2.316,31 4.869,33 4.009,34 0.155,35 0.222,36 560.522,37 20.345,38 20.345,39 20.345,40 20.345,41 20.345,42 3.948,43 0.136,44 3.593,45 1496,46 4.134,47 11.687,48 4.816,49 2.908,50 14.433,51 228.76,52 549.934,53 0.106,54 95.673,55 89.557,56 21.413,57 330,58 49.681,59 3.727,60 16.75,61 8.445,62 12.877,63 5.326,64 18.711,65 708,66 3.296,67 31.231,68 3.999,69 16.101,70 5.699}
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{0 CHEMBL565612,2 0.173,3 0.262,4 17.659,6 1.684,8 2.416,9 1.758,10 16.097,11 3.809,12 1825.73,13 3.882,14 235.422,15 29.718,16 3.63,17 3.65,18 169.754,19 23.117,20 6.158,21 10.576,22 10.223,23 16.097,24 12.282,25 20.101,26 19.964,27 7.028,28 25500.1,29 2.269,30 2.269,31 5.016,33 4.273,34 0.122,35 0.188,36 495.061,37 22.723,38 22.723,39 22.723,40 22.723,41 22.723,42 4.084,43 0.116,44 3.458,45 1876,46 4.253,47 13.165,48 4.987,49 2.795,50 15.567,51 219.848,52 528.189,53 0.089,54 99.502,55 100.69,56 22.526,57 349,58 59.177,59 3.707,60 19.403,61 7.802,62 14.918,63 6.26,64 18.13,65 788,66 3.195,67 28.511,68 4.249,69 18.785,70 5.6}
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{0 CHEMBL7600,1 9.932,2 0.183,3 0.29,4 8.212,6 1.66,7 1,8 2.298,9 1.686,10 12.635,11 3.634,12 1182.5,13 3.641,14 164.795,15 25.294,16 3.446,17 3.468,18 128.132,19 18.12,20 6.62,21 11.462,22 6.455,23 12.635,24 9.603,25 16.578,26 15.335,27 5.694,28 14829.7,29 2.019,30 2.019,31 4.667,32 2,33 3.533,34 0.155,35 0.225,36 403.934,37 17.765,38 17.765,39 17.765,40 17.765,41 17.765,42 4.095,43 0.143,44 3.638,45 996,46 4.001,47 10.524,48 4.637,49 2.988,50 12.133,51 173.343,52 414.718,53 0.109,54 96.169,55 79.807,56 18.096,57 298,58 44.306,59 3.435,60 14.797,61 6.788,62 11.455,63 4.985,64 14.036,65 651,66 2.995,67 26.201,68 3.535,69 14.319,70 6.523}
{0 CHEMBL7735,2 0.216,3 0.332,4 3.448,6 1.66,8 2.275,9 1.686,10 10.204,11 3.552,12 678.779,13 3.574,14 105.94,15 20.636,16 3.431,17 3.443,18 94.012,19 14.446,20 5.166,21 8.619,22 5.761,23 10.204,24 7.749,25 12.239,26 11.998,27 4.444,28 7022.21,29 1.74,30 1.74,31 4.367,33 3.131,34 0.187,35 0.272,36 312.707,37 14.326,38 14.326,39 14.326,40 14.326,41 14.326,42 4.094,43 0.172,44 3.232,45 515,46 3.802,47 8.297,48 4.334,49 2.547,50 9.967,51 139.501,52 332.143,53 0.131,54 85.286,55 63.192,56 14.397,57 181,58 37.407,59 3.277,60 12.083,61 4.5,62 9.565,63 3.994,64 11.052,65 407,66 2.715,67 14.599,68 3.153,69 11.871,70 6}
{0 CHEMBL91829,1 6.377,2 0.181,3 0.271,4 21.829,6 1.746,8 2.63,9 1.787,10 17.008,11 3.788,12 1977.84,13 3.831,14 294.278,15 30.705,16 3.632,17 3.653,18 181.497,19 24.38,20 5.908,21 9.743,22 10.619,23 17.008,24 13.061,25 22.293,26 21.264,27 7.472,28 28638.5,29 2.266,30 2.266,31 5.11,32 1,33 4.625,34 0.118,35 0.18,36 559.77,37 23.93,38 23.93,39 23.93,40 23.93,41 23.93,42 4.131,43 0.111,44 3.324,45 1438,46 4.308,47 13.939,48 5.065,49 2.119,50 16.6,51 241.96,52 582.143,53 0.086,54 117.62,55 106.451,56 24.104,57 341,58 62.398,59 3.811,60 20.498,61 8.795,62 15.892,63 6.631,64 19.953,65 765,66 3.252,67 24.898,68 4.565,69 19.802,70 5}
{0 CHEMBL939,1 16.905,2 0.171,3 0.272,4 28.856,5 2,6 1.691,7 2,8 2.22,9 1.754,10 15.013,11 3.82,12 1775.43,13 3.884,14 262.153,15 29.48,16 3.61,17 3.621,18 162.713,19 22.231,20 7.531,21 12.935,22 7.584,23 15.135,24 11.46,25 22.028,26 19.212,27 6.944,28 25978.8,29 2.228,30 2.228,31 4.92,32 3,33 3.93,34 0.133,35 0.194,36 534.972,37 21.3,38 21.3,39 21.3,40 21.3,41 21.3,42 3.909,43 0.121,44 3.818,45 1793,46 4.172,47 12.772,48 4.899,49 3.112,50 14.6,51 217.506,52 522.475,53 0.092,54 70.007,55 99.806,56 21.261,57 401,58 49.568,59 3.608,60 18.21,61 10.42,62 13.173,63 6.022,64 17.992,65 866,66 3.155,67 36.081,68 3.938,69 16.748,70 5.35}
{0 CHEMBL941,2 0.128,3 0.21,4 30.255,6 1.846,8 2.551,9 1.877,10 18.03,11 3.893,12 2783.16,13 3.932,14 341.362,15 34.613,16 3.814,17 3.816,18 208.703,19 25.762,20 9.44,21 16.73,22 9.213,23 18.03,24 13.659,25 24.883,26 22.252,27 8.083,28 48375,29 2.392,30 2.392,31 5.178,33 4.136,34 0.097,35 0.151,36 636.405,37 25.256,38 25.256,39 25.256,40 25.256,41 25.256,42 3.983,43 0.096,44 4.179,45 2915,46 4.35,47 15.065,48 5.159,49 3.506,50 17.633,51 265.482,52 639.535,53 0.072,54 145.375,55 112.246,56 25.614,57 619,58 61.129,59 3.85,60 21.073,61 11.508,62 16.198,63 7.248,64 21.185,65 1361,66 3.344,67 52.079,68 4.166,69 20.276,70 7.143}
{0 CHEMBL99743,1 10.768,2 0.165,3 0.266,4 30.122,5 2,6 1.667,7 2,8 2.33,9 1.732,10 15.495,11 3.798,12 1942.28,13 3.858,14 247.193,15 30.284,16 3.59,17 3.608,18 170.386,19 22.544,20 7.979,21 13.844,22 7.977,23 15.495,24 11.795,25 22.053,26 19.363,27 7.167,28 29097.6,29 2.355,30 2.355,31 4.968,32 2,33 3.862,34 0.129,35 0.192,36 531.571,37 21.756,38 21.756,39 21.756,40 21.756,41 21.756,42 4.014,43 0.118,44 3.916,45 1754,46 4.198,47 12.586,48 4.925,49 3.258,50 14.567,51 214.109,52 514.186,53 0.091,54 99.161,55 100.142,56 22.665,57 443,58 52.1,59 3.561,60 18.158,61 9.547,62 13.739,63 5.747,64 17.647,65 951,66 3.303,67 36.539,68 3.761,69 17.114,70 6.051}