@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL1743122

@attribute molecule_id {CHEMBL103,CHEMBL11,CHEMBL1106,CHEMBL110739,CHEMBL1197556,CHEMBL11978,CHEMBL1200629,CHEMBL135,CHEMBL1423,CHEMBL1437,CHEMBL1502,CHEMBL163,CHEMBL170988,CHEMBL1732,CHEMBL2,CHEMBL2074647,CHEMBL2074659,CHEMBL2074704,CHEMBL2074851,CHEMBL2074900,CHEMBL219916,CHEMBL289469,CHEMBL290106,CHEMBL30,CHEMBL311617,CHEMBL339427,CHEMBL360861,CHEMBL364713,CHEMBL387326,CHEMBL39,CHEMBL46,CHEMBL481,CHEMBL48361,CHEMBL49,CHEMBL517,CHEMBL548,CHEMBL55,CHEMBL58,CHEMBL58343,CHEMBL59,CHEMBL590799,CHEMBL603,CHEMBL640,CHEMBL660,CHEMBL691,CHEMBL72,CHEMBL723,CHEMBL753,CHEMBL790,CHEMBL807,CHEMBL815,CHEMBL84,CHEMBL85,CHEMBL87563,CHEMBL90,CHEMBL900,CHEMBL902,CHEMBL920,CHEMBL932,CHEMBL9324,CHEMBL941,CHEMBL95,CHEMBL959}
@attribute Eig08_AEA.ed. numeric
@attribute Eig12_AEA.ed. numeric
@attribute Psi_i_1 numeric
@attribute P_VSA_s_3 numeric
@attribute X4v numeric
@attribute ATS1p numeric
@attribute ATS2p numeric
@attribute ATS3p numeric
@attribute ATS3v numeric
@attribute Eig05_AEA.ed. numeric
@attribute Eig06_AEA.ed. numeric
@attribute X2v numeric
@attribute ALOGP numeric
@attribute ALOGP2 numeric
@attribute ATS2v numeric
@attribute ATSC2i numeric
@attribute Eig10_AEA.ed. numeric
@attribute Eig11_AEA.ed. numeric
@attribute SM02_EA.ri. numeric
@attribute SpAD_AEA.bo. numeric
@attribute SpAD_AEA.ed. numeric
@attribute SpAD_AEA.ri. numeric
@attribute SpAD_EA numeric
@attribute X1v numeric
@attribute X5v numeric
@attribute SpMax7_Bh.p. numeric
@attribute SpMax7_Bh.v. numeric
@attribute SpMin6_Bh.s. numeric
@attribute SpMin7_Bh.i. numeric
@attribute TPC numeric
@attribute ATSC3m numeric
@attribute ATSC4m numeric
@attribute Chi1_EA.bo. numeric
@attribute Eta_C numeric
@attribute Eta_L numeric
@attribute SpMax7_Bh.m. numeric
@attribute Wap numeric
@attribute X1Kup numeric
@attribute X1MulPer numeric
@attribute X1Per numeric
@attribute X3v numeric
@attribute X4 numeric
@attribute X4sol numeric
@attribute ATS4p numeric
@attribute ATSC4p numeric
@attribute MPC03 numeric
@attribute MPC04 numeric
@attribute MWC05 numeric
@attribute MWC06 numeric
@attribute MWC07 numeric
@attribute MWC08 numeric
@attribute SM02_AEA.ed. numeric
@attribute Sp numeric
@attribute SpAD_EA.ed. numeric
@attribute SpMax6_Bh.i. numeric
@attribute SpMax6_Bh.p. numeric
@attribute SpMax7_Bh.e. numeric
@attribute SpMaxA_EA.bo. numeric
@attribute SpMin6_Bh.e. numeric
@attribute SpMin6_Bh.i. numeric
@attribute SRW06 numeric
@attribute SRW08 numeric
@attribute X5 numeric
@attribute X5sol numeric
@attribute BLTA96 numeric
@attribute pXC50 numeric

@data
{1 4.013,2 2.977,3 16.902,4 33.729,5 7.227,6 3.62,7 4.162,8 4.481,9 4.334,10 5.332,11 4.942,12 9.254,13 3.58,14 12.819,15 4.052,16 1.322,17 3.528,18 3.174,19 4.461,20 41.744,21 43.878,22 40.949,23 40.941,24 9.604,25 5.568,26 2.926,27 2.904,28 0.724,29 1.055,30 7.712,31 39.645,32 49.667,33 11.84,34 33.702,35 8.922,36 2.887,37 21009,38 9.576,39 9.2,40 7.537,41 8.453,42 8.608,43 8.608,44 4.595,45 21.064,46 4.143,47 4.477,48 7.747,49 8.711,50 9.662,51 10.627,52 5.948,53 33.33,54 137.317,55 3.322,56 3.091,57 3.101,58 0.148,59 1.284,60 1.215,61 7.043,62 8.793,63 6.942,64 6.942,65 -5.28,66 4.573}
{0 CHEMBL11,1 3.584,2 2.26,3 12.906,4 23.7,5 3.156,6 3.43,7 3.827,8 4.053,9 3.927,10 4.247,11 3.917,12 6.066,13 4.388,14 19.254,15 3.731,16 1.056,17 3.056,18 2.555,19 4.086,20 34.065,21 34.819,22 33.862,23 33.801,24 7.836,25 2.273,26 2.75,27 2.733,28 0.473,29 0.824,30 6.966,31 25.13,32 29.087,33 9.233,34 17.563,35 5.287,36 2.709,37 9194,38 7.77,39 7.484,40 6.275,41 4.216,42 6.252,43 6.252,44 4.104,45 11.342,46 3.738,47 4.025,48 7.274,49 8.159,50 9.04,51 9.929,52 5.493,53 29.387,54 93.957,55 3.076,56 2.834,57 2.874,58 0.175,59 1.001,60 0.931,61 6.635,62 8.227,63 5.295,64 5.295,65 -5.11,66 6.222}
{0 CHEMBL1106,1 3.597,2 2.161,3 12.047,4 18.853,5 3.147,6 3.265,7 3.697,8 3.905,9 3.828,10 4.442,11 4.072,12 5.089,13 3.371,14 11.362,15 3.642,16 0.869,17 2.898,18 2.678,19 4.116,20 33.83,21 34.661,22 33.486,23 33.451,24 6.593,25 2.267,26 2.628,27 2.613,28 0.175,29 0.736,30 7.332,31 17.841,32 20.071,33 8.361,34 13.091,35 4.081,36 2.599,37 14028,38 6.541,39 6.401,40 5.263,41 4.031,42 7.018,43 7.018,44 3.951,45 7.926,46 3.871,47 4.234,48 7.419,49 8.342,50 9.264,51 10.189,52 5.58,53 23.586,54 100.412,55 2.918,56 2.711,57 2.774,58 0.184,59 0.823,60 0.76,61 6.708,62 8.357,63 6.02,64 6.02,65 -4.43,66 5.367}
{0 CHEMBL110739,1 4.399,2 3.174,3 17.757,4 31.194,5 7.326,6 3.633,7 4.179,8 4.504,9 4.379,10 5.521,11 5.128,12 9.42,13 1.952,14 3.812,15 4.09,16 1.356,17 3.889,18 3.267,19 4.515,20 44.56,21 47.791,22 43.545,23 43.561,24 9.865,25 5.608,26 2.928,27 2.91,28 0.715,29 1.061,30 7.878,31 41.81,32 53.684,33 12.755,34 36.39,35 9.334,36 2.907,37 25472,38 9.799,39 9.494,40 7.721,41 8.438,42 9.446,43 9.446,44 4.623,45 21.24,46 4.22,47 4.585,48 7.83,49 8.802,50 9.758,51 10.732,52 6.019,53 34.239,54 146.599,55 3.323,56 3.091,57 3.117,58 0.139,59 1.274,60 1.218,61 7.112,62 8.866,63 7.615,64 7.615,65 -3.64,66 4.466}
{0 CHEMBL1197556,1 3.706,2 2.943,3 15.178,4 20.384,5 3.799,6 3.57,7 3.953,8 4.131,9 4.041,10 4.853,11 4.654,12 6.414,13 5.312,14 28.215,15 3.88,16 1.089,17 3.585,18 3.198,19 4.314,20 42.065,21 43.511,22 41.442,23 41.404,24 9.085,25 2.642,26 2.927,27 2.913,28 0.61,29 0.994,30 7.59,31 24.888,32 25.33,33 10.16,34 19.654,35 5.606,36 2.895,37 20732,38 9.031,39 8.759,40 7.331,41 5.023,42 8.547,43 8.547,44 4.199,45 10.694,46 4.043,47 4.344,48 7.569,49 8.466,50 9.363,51 10.261,52 5.759,53 33.006,54 120.528,55 3.375,56 3.21,57 3.031,58 0.161,59 1.344,60 1.29,61 6.913,62 8.571,63 7.155,64 7.155,65 -5.54,66 5.947}
{0 CHEMBL11978,1 1,3 4.742,4 7.89,5 0.641,6 2.473,7 2.727,8 2.705,9 2.663,10 2.378,11 1.555,12 1.821,13 -0.113,14 0.013,15 2.698,16 0.363,17 0.198,19 3.186,20 13.953,21 14.685,22 13.823,23 13.839,24 2.965,25 0.344,26 1.134,27 1.064,30 4.511,31 6.914,32 7.041,33 3.582,34 4.128,35 1.8,36 0.97,37 308,38 2.908,39 2.808,40 2.398,41 1.151,42 2.037,43 2.037,44 2.415,45 1.811,46 2.708,47 2.708,48 6.151,49 6.944,50 7.738,51 8.532,52 4.489,53 11.75,54 34.844,55 2.012,56 1.304,57 1.543,58 0.367,61 5.652,62 7.159,63 1.417,64 1.417,65 -1.3,66 3.523}
{0 CHEMBL1200629,1 5.243,2 4.278,3 28.967,4 55.754,5 11.991,6 4.124,7 4.655,8 4.991,9 4.847,10 6.268,11 5.655,12 16.04,13 4.148,14 17.206,15 4.556,16 2.435,17 4.655,18 4.543,19 4.889,20 70.075,21 72.956,22 69.889,23 69.887,24 17.135,25 10.407,26 3.256,27 3.265,28 1.083,29 1.366,30 9.337,31 74.896,32 92.364,33 21.581,34 74.892,35 15.664,36 3.264,37 151564,38 16.968,39 16.434,40 13.5,41 13.982,42 14.037,43 14.037,44 5.152,45 35.125,46 4.615,47 4.984,48 8.237,49 9.199,50 10.152,51 11.12,52 6.428,53 58.768,54 225.538,55 3.529,56 3.29,57 3.424,58 0.084,59 1.47,60 1.426,61 7.532,62 9.253,63 12.578,64 12.578,65 -2.7,66 5.456}
{0 CHEMBL135,1 3.761,2 2.491,3 14.504,4 21.578,5 5.541,6 3.454,7 3.985,8 4.252,9 4.111,10 4.889,11 4.757,12 7.436,13 3.813,14 14.537,15 3.887,16 1.076,17 3.023,18 2.723,19 4.268,20 35.93,21 38.005,22 35.82,23 35.74,24 8.093,25 4.325,26 2.693,27 2.691,28 0.614,29 0.799,30 7.431,31 32.09,32 38.53,33 10.143,34 23.615,35 7.126,36 2.705,37 15139,38 8.06,39 7.846,40 6.401,41 6.66,42 7.351,43 7.351,44 4.285,45 15.716,46 3.989,47 4.304,48 7.564,49 8.506,50 9.444,51 10.388,52 5.759,53 28.046,54 115.628,55 3.063,56 2.81,57 2.889,58 0.173,59 0.997,60 0.924,61 6.872,62 8.592,63 6.134,64 6.134,65 -4.86,66 4.523}
{0 CHEMBL1423,1 4.845,2 3.441,3 20.967,4 50.858,5 5.273,6 3.806,7 4.23,8 4.4,9 4.307,10 5.345,11 5.034,12 9.188,13 5.522,14 30.489,15 4.173,16 1.746,17 4.025,18 3.611,19 4.606,20 57.15,21 58.611,22 56.896,23 56.719,24 12.008,25 3.869,26 3.013,27 3.018,28 0.825,29 1.083,30 8.064,31 38.494,32 42.099,33 15.314,34 31.905,35 8.454,36 3.075,37 39338,38 11.872,39 11.684,40 9.593,41 7.058,42 10.695,43 10.392,44 4.436,45 16.238,46 4.277,47 4.554,48 7.82,49 8.705,50 9.586,51 10.474,52 6.043,53 42.006,54 162.398,55 3.421,56 3.144,57 3.181,58 0.104,59 1.276,60 1.224,61 7.185,62 8.789,63 9,64 8.54,65 -6.34,66 4.466}
{0 CHEMBL1437,1 1.417,2 0.456,3 6.063,4 5.291,5 0.884,6 2.658,7 2.996,8 3.07,9 3.039,10 2.635,11 2.374,12 2.5,13 -0.11,14 0.012,15 2.982,16 0.432,17 1.102,18 0.702,19 3.414,20 17.2,21 18.735,22 17.1,23 17.036,24 3.549,25 0.533,26 1.634,27 1.629,30 4.89,31 11.998,32 12.597,33 4.626,34 6.916,35 2.642,36 1.732,37 496,38 3.487,39 3.435,40 2.85,41 1.608,42 2.439,43 2.439,44 2.903,45 3.412,46 2.996,47 2.996,48 6.5,49 7.332,50 8.164,51 8.998,52 4.844,53 14.176,54 47.674,55 2.377,56 1.691,57 2.154,58 0.325,59 0.109,60 0.016,61 5.969,62 7.535,63 1.867,64 1.867,65 -1.17,66 2.721}
{0 CHEMBL1502,1 4.188,2 2.685,3 13.755,4 24.368,5 3.407,6 3.358,7 3.674,8 3.78,9 3.775,10 5.163,11 4.472,12 6.449,13 2.951,14 8.71,15 3.697,16 1.179,17 3.193,18 3.166,19 4.166,20 41.814,21 43.763,22 41.484,23 41.407,24 8.722,25 2.437,26 2.845,27 2.864,28 0.408,29 0.993,30 7.244,31 14.739,32 16.238,33 10.544,34 18.798,35 5.221,36 3.024,37 13119,38 7.286,39 7.008,40 5.806,41 4.668,42 7.834,43 8.212,44 3.807,45 7.64,46 3.951,47 4.22,48 7.502,49 8.387,50 9.262,51 10.149,52 5.746,53 27.688,54 119.453,55 3.289,56 2.917,57 3.1,58 0.159,59 1.134,60 1.079,61 6.87,62 8.469,63 6.04,64 6.778,65 -1.86,66 5.824}
{0 CHEMBL163,1 5.166,2 4.008,3 28.656,4 104.016,5 6.718,6 4.191,7 4.575,8 4.703,9 4.585,10 5.583,11 5.372,12 14.902,13 5.512,14 30.377,15 4.484,16 2.286,17 4.935,18 4.548,19 4.866,20 79.358,21 79.864,22 77.467,23 77.785,24 18.568,25 4.138,26 3.398,27 3.398,28 0.993,29 1.522,30 7.789,31 59.715,32 77.246,33 21.494,34 64.462,35 13.42,36 3.501,37 26481,38 16.751,39 16.007,40 13.426,41 10.077,42 12.982,43 14.232,44 4.729,45 22.499,46 4.454,47 4.635,48 8.005,49 8.854,50 9.688,51 10.537,52 6.301,53 64.591,54 212.426,55 3.752,56 3.559,57 3.588,58 0.071,59 1.609,60 1.558,61 7.422,62 8.945,63 9.473,64 10.21,65 -2.75,66 4.606}
{0 CHEMBL170988,1 1.914,2 1,3 7.416,4 11.624,5 1.149,6 2.903,7 3.21,8 3.264,9 3.15,10 3.247,11 3.208,12 3.045,13 1.089,14 1.187,15 3.133,16 0.612,17 1.407,18 1,19 3.519,20 21.312,21 21.356,22 20.91,23 20.842,24 4.642,25 0.657,26 1.989,27 1.983,29 0.199,30 5.198,31 14.082,32 13.689,33 5.686,34 8.854,35 3.159,36 2.152,37 902,38 4.58,39 4.484,40 3.788,41 1.804,42 3.153,43 3.153,44 3.166,45 4.13,46 2.944,47 3.045,48 6.463,49 7.252,50 8,51 8.79,52 4.844,53 18.836,54 50.698,55 2.868,56 2.547,57 2.467,58 0.23,59 0.754,60 0.66,61 5.999,62 7.435,63 1.912,64 1.912,65 -2.72,66 4.187}
{0 CHEMBL1732,1 5.636,2 4.636,3 28.654,4 45.272,5 8.649,6 4.033,7 4.527,8 4.754,9 4.701,10 6.431,11 6.309,12 13.187,13 3.307,14 10.934,15 4.498,16 2.143,17 5.114,18 5.098,19 5.017,20 79.992,21 81.737,22 78.792,23 78.664,24 15.396,25 6.531,26 3.303,27 3.307,28 0.972,29 1.46,30 10.254,31 54.287,32 66.321,33 21.177,34 53.733,35 11.774,36 3.338,37 532843,38 15.192,39 14.875,40 12.101,41 10.623,42 17.027,43 17.027,44 4.81,45 21.915,46 4.779,47 5.176,48 8.384,49 9.347,50 10.301,51 11.268,52 6.547,53 52.483,54 256.023,55 3.533,56 3.353,57 3.442,58 0.092,59 1.572,60 1.511,61 7.652,62 9.371,63 14.492,64 14.492,65 -3.78,66 4.302}
{0 CHEMBL2,1 4.321,2 3.09,3 15.722,4 38.007,5 3.274,6 3.458,7 3.83,8 3.977,9 3.972,10 5.248,11 5.088,12 6.39,13 2.108,14 4.442,15 3.851,16 1.15,17 3.414,18 3.375,19 4.384,20 46.8,21 48.249,22 46.421,23 46.371,24 8.874,25 2.181,26 2.919,27 2.91,28 0.575,29 1.064,30 7.716,31 23.145,32 26.205,33 11.994,34 21.573,35 5.868,36 2.916,37 23248,38 8.65,39 8.454,40 6.981,41 4.8,42 8.991,43 8.991,44 3.995,45 8.186,46 4.127,47 4.382,48 7.662,49 8.555,50 9.445,51 10.339,52 5.883,53 31.938,54 136.361,55 3.241,56 2.941,57 3.111,58 0.146,59 1.195,60 1.121,61 7.015,62 8.646,63 6.943,64 6.943,65 -2.47,66 4.433}
{0 CHEMBL2074647,1 2.254,2 1.226,3 8.419,4 10.535,5 1.367,6 3.032,7 3.362,8 3.493,9 3.412,10 4.093,11 2.889,12 4.01,13 1.3,14 1.689,15 3.311,16 0.661,17 1.655,18 1.346,19 3.661,20 23.072,21 24.582,22 22.982,23 23.005,24 5.326,25 0.909,26 2.59,27 2.57,28 0.186,29 0.7,30 5.416,31 18.817,32 20.147,33 6.608,34 12.843,35 4.146,36 2.499,37 1065,38 5.23,39 4.994,40 4.245,41 2.308,42 3.369,43 3.369,44 3.468,45 6.336,46 3.219,47 3.296,48 6.756,49 7.591,50 8.42,51 9.259,52 5.094,53 21.222,54 62.606,55 2.94,56 2.618,57 2.763,58 0.245,59 0.83,60 0.764,61 6.217,62 7.758,63 2.667,64 2.667,65 -2.36,66 4}
{0 CHEMBL2074659,1 3.376,2 2.198,3 13.462,4 19.641,5 4.058,6 3.494,7 3.938,8 4.185,9 4.001,10 3.859,11 3.732,12 7.658,13 2.366,14 5.599,15 3.811,16 1.191,17 2.95,18 2.396,19 4.049,20 32.417,21 33.907,22 32.224,23 32.133,24 8.748,25 2.749,26 2.794,27 2.77,28 0.817,29 0.896,30 6.08,31 32.992,32 37.419,33 9.814,34 24.392,35 7.057,36 2.741,37 2744,38 8.678,39 8.361,40 7.062,41 5.422,42 5.609,43 5.609,44 4.221,45 14.653,46 3.611,47 3.784,48 7.165,49 8.033,50 8.871,51 9.739,52 5.485,53 32.262,54 90.67,55 3.206,56 2.941,57 2.942,58 0.164,59 1.153,60 1.064,61 6.608,62 8.197,63 4.017,64 4.017,65 -1.15,66 5.319}
{0 CHEMBL2074704,1 3.176,2 2,3 12.976,4 38.837,5 3.75,6 3.59,7 3.977,8 4.171,9 3.925,10 3.487,11 3.176,12 7.328,13 6.105,14 37.27,15 3.772,16 1.263,17 2,18 2,19 3.736,20 25.824,21 28.758,22 25.913,23 25.824,24 10.243,25 2.621,26 3.038,27 3.006,28 0.848,29 1.167,30 5.447,31 31.852,32 34.801,33 9.743,34 31.599,35 9.541,36 2.959,37 1040,38 10.195,39 9.829,40 8.51,41 5.243,42 3.75,43 3.75,44 4.262,45 14.094,46 3.219,47 3.296,48 6.744,49 7.565,50 8.368,51 9.204,52 5.081,53 37.376,54 60.946,55 3.315,56 3.038,57 3.216,58 0.167,59 1.26,60 1.167,61 6.209,62 7.678,63 2.621,64 2.621,65 -2.99,66 5.824}
{0 CHEMBL2074851,1 3.8,2 3.247,3 16.338,4 20.384,5 4.097,6 3.635,7 4.021,8 4.204,9 4.111,10 4.974,11 4.804,12 7.27,13 5.009,14 25.094,15 3.949,16 1.255,17 3.582,18 3.256,19 4.379,20 45.375,21 46.345,22 44.719,23 44.697,24 9.719,25 2.959,26 2.988,27 2.98,28 0.685,29 1.065,30 7.588,31 27.933,32 31.127,33 11.089,34 23.581,35 6.19,36 2.985,37 20532,38 9.645,39 9.293,40 7.793,41 5.5,42 8.819,43 8.819,44 4.276,45 11.979,46 4.078,47 4.369,48 7.616,49 8.51,50 9.4,51 10.295,52 5.826,53 35.773,54 129.478,55 3.379,56 3.098,57 3.115,58 0.15,59 1.29,60 1.203,61 6.974,62 8.616,63 7.494,64 7.494,65 -5.6,66 6.678}
{0 CHEMBL2074900,1 3.423,2 2,3 11.092,4 17.698,5 3.133,6 3.266,7 3.678,8 3.825,9 3.714,10 3.85,11 3.72,12 5.125,13 3.868,14 14.965,15 3.591,16 0.754,17 2.363,18 2.308,19 3.99,20 30.32,21 31.512,22 30.237,23 30.122,24 6.805,25 2.149,26 2.654,27 2.635,28 0.284,29 0.692,30 6.675,31 18.812,32 20.18,33 7.816,34 13.343,35 4.303,36 2.609,37 5739,38 6.279,39 6.025,40 4.983,41 3.848,42 6.205,43 6.432,44 3.885,45 8.462,46 3.738,47 4.111,48 7.288,49 8.216,50 9.143,51 10.075,52 5.442,53 23.955,54 88.399,55 2.983,56 2.803,57 2.767,58 0.214,59 0.967,60 0.924,61 6.578,62 8.235,63 5.177,64 5.274,65 -5.37,66 7}
{0 CHEMBL219916,1 4.764,2 3.513,3 18.607,4 39.106,5 4.82,6 3.641,7 4.086,8 4.244,9 4.162,10 5.354,11 4.997,12 8.423,13 2.454,14 6.021,15 4.042,16 1.415,17 3.741,18 3.606,19 4.494,20 51.778,21 53.383,22 51.755,23 51.587,24 10.775,25 3.442,26 2.941,27 2.91,28 0.681,29 1.064,30 8.24,31 35.008,32 37.791,33 14.098,34 26.929,35 7.465,36 3.041,37 51753,38 10.284,39 10.106,40 8.261,41 6.374,42 10.34,43 10.575,44 4.238,45 12.449,46 4.234,47 4.554,48 7.786,49 8.691,50 9.589,51 10.495,52 5.989,53 36.409,54 152.657,55 3.356,56 3.077,57 3.111,58 0.118,59 1.192,60 1.144,61 7.117,62 8.743,63 8.367,64 8.599,65 -3.76,66 5.102}
{0 CHEMBL289469,1 3.867,2 2.859,3 14.93,4 24.851,5 4.369,6 3.461,7 3.911,8 4.112,9 4.005,10 5.19,11 4.943,12 7.035,13 2.402,14 5.768,15 3.848,16 1.229,17 3.438,18 2.939,19 4.289,20 39.99,21 40.953,22 39.571,23 39.517,24 8.578,25 3.278,26 2.949,27 2.938,28 0.686,29 1.086,30 7.366,31 30.425,32 33.835,33 10.832,34 22.161,35 6.71,36 2.968,37 15527,38 8.47,39 8.238,40 6.809,41 5.648,42 7.923,43 7.923,44 4.087,45 11.46,46 3.989,47 4.29,48 7.536,49 8.441,50 9.339,51 10.243,52 5.746,53 30.091,54 118.477,55 3.304,56 3.045,57 3.169,58 0.178,59 1.242,60 1.166,61 6.878,62 8.529,63 6.517,64 6.517,65 -3.48,66 5.367}
{0 CHEMBL290106,1 2.94,2 1.577,3 10.087,4 49.323,5 3.609,6 3.179,7 3.587,8 3.704,9 3.586,10 4.971,11 4.879,12 6.342,13 6.071,14 36.859,15 3.496,16 0.351,17 2.653,18 2.313,19 3.793,20 30.26,21 31.87,22 30.42,23 30.103,24 7.249,25 2.069,26 1.885,27 1.858,30 6.176,31 22.536,32 31.254,33 7.273,34 15.819,35 4.112,36 2.639,37 3042,38 5.082,39 4.765,40 3.872,41 4.281,42 5.294,43 7.934,44 3.619,45 5.194,46 3.611,47 3.807,48 7.171,49 8.053,50 8.914,51 9.796,52 5.468,53 21.795,54 89.14,55 2.787,56 2.634,57 2.272,58 0.206,59 0.716,60 0.682,61 6.586,62 8.208,63 3.902,64 5.59,65 -5.32,66 5.721}
{0 CHEMBL30,1 2.483,2 1.333,3 8.455,4 43.537,5 2.071,6 3.037,7 3.352,8 3.365,9 3.239,10 3.417,11 3.163,12 4.36,13 0.61,14 0.372,15 3.229,16 0.72,17 1.642,18 1.572,19 3.526,20 24.412,21 24.736,22 23.127,23 23.167,24 6.354,25 1.242,26 2.452,27 2.448,28 0.248,29 0.596,30 5.407,31 17.422,32 19.69,33 6.571,34 13.185,35 4.546,36 2.493,37 1226,38 5.2,39 4.883,40 4.134,41 3.102,42 3.628,43 4.206,44 3.431,45 5.378,46 3.178,47 3.219,48 6.648,49 7.439,50 8.227,51 9.021,52 4.977,53 21.489,54 56.974,55 3.098,56 2.812,57 2.71,58 0.224,59 0.976,60 0.884,61 6.107,62 7.549,63 2.08,64 2.621,65 -2.05,66 4.441}
{0 CHEMBL311617,1 2,2 0.84,3 7.291,4 6.371,5 1.377,6 2.915,7 3.257,8 3.354,9 3.217,10 3.414,11 3.247,12 3.232,13 2.3,14 5.29,15 3.175,16 0.524,17 1.555,18 1.04,19 3.568,20 20.547,21 20.624,22 20.293,23 20.253,24 4.482,25 0.961,26 2.097,27 2.078,28 0.169,29 0.229,30 5.429,31 10.904,32 10.997,33 4.876,34 6.179,35 2.422,36 2.07,37 1172,38 4.446,39 4.295,40 3.644,41 2.159,42 3.363,43 3.363,44 3.195,45 4.906,46 3.135,47 3.296,48 6.624,49 7.455,50 8.283,51 9.116,52 4.905,53 17.193,54 53.264,55 2.836,56 2.617,57 2.323,58 0.277,59 0.79,60 0.718,61 6.08,62 7.631,63 2.782,64 2.782,65 -3.7,66 4.721}
{0 CHEMBL339427,1 5.514,2 4.793,3 28.078,4 64.924,5 7.433,6 4.079,7 4.524,8 4.804,9 4.742,10 5.994,11 5.945,12 13.377,13 5.361,14 28.745,15 4.496,16 2.004,17 5.284,18 5.061,19 4.949,20 78.265,21 81.588,22 77.946,23 77.917,24 15.752,25 6.005,26 3.17,27 3.163,28 0.884,29 1.254,30 10.727,31 50.142,32 67.037,33 20.281,34 52.993,35 10.501,36 3.185,37 949634,38 15.493,39 14.987,40 12.408,41 10.201,42 15.329,43 15.329,44 4.932,45 26.705,46 4.691,47 5.011,48 8.273,49 9.196,50 10.115,51 11.039,52 6.479,53 56.586,54 242.371,55 3.619,56 3.38,57 3.31,58 0.085,59 1.515,60 1.462,61 7.6,62 9.276,63 14.164,64 14.164,65 -0.38,66 4.103}
{0 CHEMBL360861,1 3.755,2 3.071,3 15.516,4 30.743,5 3.013,6 3.507,7 3.885,8 4.065,9 4.009,10 5.28,11 5.164,12 6.788,13 1.467,14 2.152,15 3.855,16 1.213,17 3.414,18 3.275,19 4.314,20 44.248,21 46.245,22 43.529,23 43.418,24 9.407,25 1.884,26 2.977,27 2.992,28 0.657,29 1.109,30 6.813,31 30.616,32 37.445,33 12.3,34 25.574,35 6.951,36 3.115,37 8287,38 9.202,39 8.977,40 7.47,41 4.763,42 7.063,43 7.063,44 4.078,45 10.376,46 3.912,47 4.007,48 7.438,49 8.282,50 9.12,51 9.967,52 5.746,53 34.676,54 119.696,55 3.382,56 3.002,57 3.254,58 0.132,59 1.229,60 1.133,61 6.874,62 8.44,63 5.059,64 5.059,65 -3.18,66 4.987}
{0 CHEMBL364713,1 4.757,2 3.46,3 17.818,4 57.441,5 4.712,6 3.571,7 3.985,8 4.195,9 4.196,10 5.67,11 5.375,12 7.483,13 3.012,14 9.073,15 4.014,16 1.171,17 4.194,18 3.829,19 4.529,20 51.93,21 56.058,22 51.816,23 51.936,24 9.741,25 3.496,26 2.974,27 2.984,28 0.578,29 1.086,30 8.524,31 23.502,32 32.152,33 13.795,34 28.387,35 6.911,36 3.052,37 60014,38 9.47,39 9.174,40 7.563,41 6.061,42 11.448,43 11.448,44 4.311,45 13.13,46 4.369,47 4.762,48 7.941,49 8.888,50 9.833,51 10.781,52 6.084,53 34.563,54 163.421,55 3.317,56 2.982,57 3.22,58 0.128,59 1.202,60 1.148,61 7.201,62 8.9,63 9.653,64 9.653,65 -2.74,66 5.585}
{0 CHEMBL387326,1 4.097,2 2.816,3 15.393,4 22.427,5 4.444,6 3.509,7 3.955,8 4.17,9 4.069,10 5.216,11 4.783,12 6.974,13 2.734,14 7.474,15 3.895,16 1.16,17 3.313,18 2.906,19 4.301,20 41.43,21 42.744,22 40.832,23 40.856,24 8.683,25 3.521,26 2.829,27 2.819,28 0.605,29 0.942,30 7.549,31 29.602,32 33.498,33 11.095,34 22.488,35 6.622,36 2.842,37 18832,38 8.578,39 8.368,40 6.885,41 5.819,42 8.161,43 8.161,44 4.167,45 12.713,46 4.043,47 4.344,48 7.585,49 8.494,50 9.404,51 10.315,52 5.778,53 31.296,54 122.447,55 3.231,56 2.924,57 3.036,58 0.166,59 1.146,60 1.065,61 6.934,62 8.62,63 7.117,64 7.117,65 -3.42,66 5.527}
{0 CHEMBL39,1 2,2 0.853,3 7.399,4 12.543,5 1.529,6 2.849,7 3.235,8 3.284,9 3.186,10 3.318,11 3.025,12 3.082,13 1.283,14 1.647,15 3.178,16 0.563,17 1.641,18 1.109,19 3.611,20 20.793,21 21.696,22 20.647,23 20.612,24 4.301,25 0.967,26 1.736,27 1.75,30 5.576,31 12.379,32 12.029,33 5.096,34 7.587,35 2.953,36 1.864,37 1355,38 4.254,39 4.172,40 3.47,41 2.165,42 3.795,43 3.795,44 3.157,45 4.196,46 3.258,47 3.526,48 6.783,49 7.663,50 8.539,51 9.421,52 5.017,53 16.273,54 58.135,55 2.594,56 2.25,57 2.146,58 0.322,59 0.525,60 0.382,61 6.146,62 7.739,63 2.995,64 2.995,65 -2.24,66 4.097}
{0 CHEMBL46,1 3.672,2 2.763,3 13.796,4 25.296,5 3.668,6 3.391,7 3.824,8 3.978,9 3.904,10 5.426,11 4.353,12 6.125,13 2.635,14 6.941,15 3.777,16 1.047,17 3.421,18 3.099,19 4.262,20 39.12,21 40.142,22 38.576,23 38.532,24 7.748,25 2.633,26 2.857,27 2.835,28 0.496,29 0.97,30 7.382,31 22.098,32 25.308,33 9.302,34 18.038,35 5.272,36 2.8,37 14732,38 7.661,39 7.413,40 6.126,41 4.916,42 7.817,43 7.817,44 4.018,45 9.635,46 4.007,47 4.331,48 7.56,49 8.482,50 9.406,51 10.333,52 5.74,53 27.563,54 117.633,55 3.153,56 2.894,57 3.029,58 0.19,59 1.097,60 1.058,61 6.858,62 8.515,63 6.227,64 6.227,65 -3.69,66 5.77}
{0 CHEMBL481,1 5.568,2 4.52,3 27.527,4 79.737,5 7.471,6 4.021,7 4.483,8 4.699,9 4.649,10 6.168,11 6.011,12 12.236,13 3.686,14 13.587,15 4.45,16 2.047,17 5.116,18 4.726,19 4.931,20 76.175,21 79.369,22 75.325,23 75.226,24 15.655,25 5.472,26 3.214,27 3.205,28 0.942,29 1.302,30 10.102,31 51.286,32 59.442,33 20.49,34 51.929,35 12.384,36 3.242,37 437570,38 15.437,39 15.126,40 12.382,41 9.966,42 15.389,43 15.389,44 4.732,45 20.263,46 4.7,47 5.017,48 8.27,49 9.203,50 10.137,51 11.075,52 6.454,53 52.694,54 235.846,55 3.563,56 3.357,57 3.381,58 0.094,59 1.529,60 1.48,61 7.577,62 9.272,63 13.074,64 13.074,65 -4.04,66 5.569}
{0 CHEMBL48361,1 4.704,2 3.598,3 19.321,4 32.76,5 3.686,6 3.71,7 4.082,8 4.218,9 4.185,10 5.471,11 5.279,12 7.924,13 2.459,14 6.047,15 4.066,16 1.448,17 3.808,18 3.712,19 4.602,20 57.708,21 59.082,22 57.05,23 56.956,24 10.916,25 2.448,26 2.981,27 3.013,28 0.635,29 1.15,30 8.037,31 28.014,32 31.99,33 14.051,34 27.16,35 6.795,36 3.138,37 36665,38 10.748,39 10.513,40 8.717,41 5.587,42 10.057,43 10.057,44 4.237,45 10.351,46 4.248,47 4.477,48 7.799,49 8.679,50 9.557,51 10.443,52 6.047,53 40.256,54 163,55 3.477,56 3.161,57 3.223,58 0.121,59 1.302,60 1.234,61 7.175,62 8.767,63 8.022,64 8.022,65 -3.9,66 5.328}
{0 CHEMBL49,1 3.686,2 3.271,3 17.923,4 44.219,5 4.993,6 3.633,7 4.087,8 4.281,9 4.157,10 4.956,11 4.448,12 8.584,13 2.021,14 4.086,15 4.011,16 1.488,17 3.504,18 3.414,19 4.392,20 46.031,21 47.467,22 45.784,23 45.813,24 10.728,25 3.334,26 2.937,27 2.93,28 0.824,29 1.064,30 7.427,31 39.55,32 43.552,33 13.784,34 29.543,35 8.75,36 2.97,37 18794,38 10.582,39 10.397,40 8.519,41 6.632,42 8.782,43 8.782,44 4.238,45 13.174,46 4.043,47 4.29,48 7.586,49 8.471,50 9.335,51 10.223,52 5.844,53 36.836,54 130.736,55 3.234,56 2.941,57 3.142,58 0.115,59 1.281,60 1.218,61 6.976,62 8.587,63 6.425,64 6.425,65 -3.44,66 4.921}
{0 CHEMBL517,1 3.669,2 2.879,3 14.406,4 15.287,5 3.559,6 3.554,7 3.938,8 4.167,9 4.065,10 4.414,11 4.273,12 7.026,13 3.418,14 11.681,15 3.848,16 1.201,17 3.247,18 3.247,19 4.252,20 39.541,21 41.635,22 38.747,23 38.742,24 8.92,25 1.868,26 2.735,27 2.715,28 0.485,29 0.821,30 6.347,31 30.577,32 36.805,33 10.52,34 26.084,35 6.512,36 2.745,37 3286,38 8.852,39 8.45,40 7.145,41 4.861,42 7.106,43 7.106,44 4.322,45 13.677,46 3.892,47 4.094,48 7.448,49 8.349,50 9.243,51 10.15,52 5.707,53 34.37,54 112.49,55 3.303,56 2.957,57 2.89,58 0.16,59 1.149,60 1.076,61 6.821,62 8.466,63 4.725,64 4.725,65 -3.7,66 5.538}
{0 CHEMBL548,1 3.417,2 2.335,3 14.456,4 28.854,5 3.215,6 3.551,7 3.947,8 4.073,9 3.926,10 4.657,11 3.799,12 6.863,13 3.034,14 9.208,15 3.834,16 1.149,17 2.74,18 2.505,19 4.129,20 35.867,21 36.595,22 35.19,23 35.115,24 9.392,25 1.943,26 2.921,27 2.93,28 0.768,29 1.09,30 6.28,31 35.142,32 34.545,33 11.088,34 29.086,35 8.808,36 2.99,37 3962,38 9.314,39 9.115,40 7.6,41 4.71,42 5.427,43 5.427,44 4.03,45 11.708,46 3.584,47 3.738,48 7.13,49 7.968,50 8.796,51 9.646,52 5.442,53 34.455,54 90.425,55 3.297,56 3.062,57 3.157,58 0.135,59 1.354,60 1.31,61 6.558,62 8.04,63 3.718,64 3.718,65 -3.35,66 7.539}
{0 CHEMBL55,1 3.414,2 2.461,3 13.417,4 38.302,5 2.222,6 3.453,7 3.788,8 3.88,9 3.796,10 3.883,11 3.811,12 5.634,13 2.595,14 6.735,15 3.731,16 1.006,17 3.386,18 2.929,19 4.121,20 37.627,21 38.208,22 37.255,23 37.248,24 8.206,25 1.401,26 2.735,27 2.715,28 0.219,29 0.821,30 6.56,31 25.453,32 25.761,33 10.198,34 18.29,35 5.746,36 2.705,37 6582,38 8.103,39 7.944,40 6.633,41 3.657,42 5.684,43 5.684,44 3.813,45 8.293,46 3.664,47 3.738,48 7.177,49 7.991,50 8.798,51 9.614,52 5.501,53 31.546,54 96.633,55 3.333,56 3.021,57 2.872,58 0.144,59 1.201,60 1.116,61 6.65,62 8.16,63 4.251,64 4.251,65 -4.3,66 5.921}
{0 CHEMBL58,1 3.809,2 3.355,3 17.82,4 41.157,5 3.639,6 3.637,7 4.029,8 4.197,9 4.168,10 5.097,11 4.857,12 7.224,13 0.018,15 4.006,16 1.336,17 3.661,18 3.448,19 4.485,20 49.452,21 52.888,22 48.99,23 49.005,24 10.431,25 2.531,26 3.067,27 3.067,28 0.874,29 1.141,30 7.85,31 34.426,32 34.685,33 13.96,34 28.694,35 7.681,36 3.145,37 26116,38 10.242,39 10.124,40 8.319,41 5.087,42 9.615,43 9.615,44 4.221,45 11.366,46 4.174,47 4.511,48 7.739,49 8.658,50 9.58,51 10.512,52 5.922,53 37.887,54 140.254,55 3.419,56 3.147,57 3.213,58 0.133,59 1.328,60 1.259,61 7.057,62 8.715,63 8.119,64 8.119,65 -0.88,66 4.135}
{0 CHEMBL58343,1 0.063,3 4.101,4 11.18,5 0.464,6 2.451,7 2.724,8 2.724,9 2.542,10 1.251,11 1,12 1.802,13 -1.031,14 1.063,15 2.585,16 0.291,19 2.713,20 10.101,21 10.321,22 10.133,23 10.111,24 3.025,25 0.212,26 1.496,27 1.447,30 3.829,31 10.116,32 8.76,33 3.449,34 6.176,35 2.754,36 1.445,37 114,38 2.974,39 2.917,40 2.496,41 0.907,42 0.979,43 0.979,44 2.587,45 1.851,46 1.946,47 1.792,48 5.434,49 6.125,50 6.772,51 7.463,52 3.932,53 12.83,54 20.754,55 2.382,56 1.791,57 1.917,58 0.363,59 0.218,60 0.036,61 5.081,62 6.33,63 0.568,64 0.568,65 -0.99,66 2.854}
{0 CHEMBL59,1 1.281,3 5.631,4 7.826,5 0.891,6 2.641,7 2.968,8 3.015,9 2.934,10 2.381,11 2.294,12 2.362,13 0.722,14 0.522,15 2.914,16 0.421,17 0.703,18 0.231,19 3.303,20 15.574,21 16.429,22 15.511,23 15.498,24 3.447,25 0.533,26 1.561,27 1.524,30 4.736,31 11.018,32 10.705,33 4.179,34 5.983,35 2.46,36 1.604,37 414,38 3.403,39 3.336,40 2.793,41 1.473,42 2.329,43 2.329,44 2.815,45 3.301,46 2.833,47 2.89,48 6.33,49 7.151,50 7.962,51 8.784,52 4.673,53 13.722,54 41.032,55 2.374,56 1.691,57 2.008,58 0.352,59 0.099,60 0.013,61 5.814,62 7.357,63 1.718,64 1.718,65 -1.97,66 3.409}
{0 CHEMBL590799,1 4.02,2 2.946,3 14.697,4 42.485,5 2.175,6 3.477,7 3.801,8 3.922,9 3.9,10 5.227,11 4.762,12 6.275,13 2.037,14 4.151,15 3.798,16 1.049,17 3.414,18 3.414,19 4.324,20 44.486,21 45.364,22 43.718,23 43.679,24 8.624,25 1.397,26 2.892,27 2.903,28 0.469,29 0.994,30 6.944,31 22.758,32 28.171,33 11.555,34 20.542,35 5.608,36 2.952,37 9744,38 8.448,39 8.192,40 6.874,41 3.737,42 6.648,43 6.648,44 3.862,45 9.149,46 3.829,47 3.951,48 7.385,49 8.22,50 9.037,51 9.873,52 5.72,53 33.148,54 118.485,55 3.254,56 2.958,57 3.121,58 0.126,59 1.141,60 1.081,61 6.849,62 8.37,63 5.205,64 5.205,65 -3.49,66 4.783}
{0 CHEMBL603,1 5.324,2 4.275,3 24.283,4 51.15,5 6.55,6 3.969,7 4.373,8 4.517,9 4.438,10 5.578,11 5.54,12 11.988,13 6.299,14 39.677,15 4.322,16 1.705,17 4.567,18 4.379,19 4.805,20 67.664,21 70.017,22 67.635,23 67.615,24 14.98,25 3.813,26 3.141,27 3.15,28 0.898,29 1.487,30 8.653,31 41.696,32 50.057,33 17.078,34 39.131,35 9.44,36 3.28,37 84894,38 13.436,39 12.918,40 10.749,41 8.926,42 13.065,43 14.312,44 4.498,45 17.319,46 4.454,47 4.727,48 8.025,49 8.924,50 9.803,51 10.704,52 6.279,53 49.813,54 201.008,55 3.61,56 3.392,57 3.314,58 0.105,59 1.574,60 1.507,61 7.391,62 9.005,63 9.429,64 10.221,65 -4.12,66 5.013}
{0 CHEMBL640,1 2.543,2 1.288,3 9.031,4 19.07,5 1.604,6 3.125,7 3.45,8 3.572,9 3.454,10 3.414,11 3.278,12 3.905,13 1.128,14 1.272,15 3.359,16 0.775,17 1.914,18 1.552,19 3.705,20 23.568,21 25.157,22 23.517,23 23.517,24 6.031,25 0.813,26 2.493,27 2.518,28 0.218,29 0.637,30 5.455,31 19.639,32 20.456,33 6.903,34 12.996,35 4.422,36 2.647,37 1215,38 5.955,39 5.754,40 4.864,41 2.781,42 3.516,43 3.516,44 3.545,45 6.464,46 3.219,47 3.219,48 6.708,49 7.512,50 8.31,51 9.116,52 5.056,53 23.324,54 60.697,55 2.954,56 2.735,57 2.836,58 0.221,59 0.886,60 0.821,61 6.196,62 7.692,63 2.367,64 2.367,65 -2.95,66 4.301}
{0 CHEMBL660,1 2.306,2 1.236,3 9.002,4 15.207,5 4.178,6 2.986,7 3.561,8 3.759,9 3.536,10 3.396,11 3.396,12 5.28,13 1.495,14 2.236,15 3.433,16 0.773,17 1.794,18 1.236,19 3.747,20 19.8,21 20.412,22 19.848,23 19.8,24 5.024,25 3.226,26 2.117,27 2.123,28 0.325,29 0.345,30 5.802,31 21.472,32 19.153,33 6.482,34 12.443,35 5.018,36 2.161,37 1696,38 5.014,39 4.882,40 3.993,41 4.086,42 4.544,43 4.544,44 3.42,45 7.303,46 3.332,47 3.761,48 6.942,49 7.9,50 8.782,51 9.74,52 5.198,53 17.097,54 64.283,55 2.66,56 2.274,57 2.524,58 0.261,59 0.585,60 0.455,61 6.351,62 8.11,63 3.438,64 3.438,65 -3.73,66 4.604}
{0 CHEMBL691,1 3.939,2 2.918,3 15.446,4 21.578,5 5.822,6 3.515,7 4.038,8 4.334,9 4.212,10 5.212,11 4.846,12 7.798,13 4.861,14 23.63,15 3.952,16 1.086,17 3.55,18 3.028,19 4.369,20 40.649,21 42.285,22 38.928,23 38.818,24 8.503,25 4.507,26 2.768,27 2.743,28 0.61,29 0.881,30 7.633,31 32.842,32 41.135,33 10.789,34 26.04,35 7.382,36 2.715,37 19145,38 8.473,39 8.231,40 6.719,41 7.1,42 8.03,43 8.03,44 4.405,45 17.207,46 4.111,47 4.407,48 7.699,49 8.655,50 9.608,51 10.566,52 5.9,53 30.046,54 130.071,55 3.232,56 2.993,57 2.92,58 0.16,59 1.138,60 1.073,61 6.999,62 8.746,63 6.554,64 6.554,65 -5.23,66 5.658}
{0 CHEMBL72,1 3.401,2 2,3 12.292,4 23.7,5 3.025,6 3.38,7 3.773,8 3.98,9 3.86,10 3.956,11 3.648,12 5.366,13 3.852,14 14.838,15 3.675,16 0.981,17 2.69,18 2.555,19 4.03,20 31.905,21 32.928,22 31.859,23 31.852,24 7.479,25 2.219,26 2.75,27 2.733,28 0.472,29 0.824,30 6.887,31 23.653,32 25.484,33 8.716,34 15.865,35 5.08,36 2.709,37 8253,38 7.425,39 7.215,40 6.025,41 4.037,42 6.121,43 6.121,44 4.029,45 9.878,46 3.714,47 4.007,48 7.232,49 8.117,50 9.005,51 9.896,52 5.425,53 27.625,54 87.59,55 3.069,56 2.813,57 2.853,58 0.183,59 0.995,60 0.92,61 6.575,62 8.176,63 5.234,64 5.234,65 -4.87,66 4.796}
{0 CHEMBL723,1 3.752,2 3.312,3 17.226,4 38.561,5 3.473,6 3.64,7 4.002,8 4.098,9 4.044,10 5.014,11 4.638,12 7.018,13 4.015,14 16.119,15 3.975,16 1.202,17 3.6,18 3.581,19 4.393,20 48.246,21 49.431,22 48.111,23 48.132,24 10.028,25 2.355,26 2.969,27 2.979,28 0.574,29 1.091,30 7.778,31 30.076,32 30.271,33 12.596,34 23.532,35 6.683,36 3.063,37 31433,38 9.862,39 9.661,40 7.997,41 4.909,42 9.069,43 9.069,44 4.073,45 10.832,46 4.094,47 4.369,48 7.623,49 8.502,50 9.381,51 10.267,52 5.838,53 36.966,54 133.06,55 3.315,56 3.042,57 3.21,58 0.147,59 1.197,60 1.124,61 6.986,62 8.578,63 7.372,64 7.372,65 -3.43,66 5.125}
{0 CHEMBL753,1 3.247,2 1.874,3 11.83,4 20.082,5 2.438,6 3.381,7 3.717,8 3.821,9 3.691,10 3.618,11 3.573,12 5.496,13 4.578,14 20.954,15 3.622,16 0.889,17 2.891,18 2.343,19 3.911,20 31.265,21 31.974,22 31.167,23 31.043,24 7.846,25 1.683,26 2.735,27 2.715,28 0.463,29 0.821,30 6.08,31 25.208,32 25.776,33 8.782,34 17.009,35 5.235,36 2.687,37 2952,38 7.29,39 7.012,40 5.848,41 3.627,42 5.067,43 5.252,44 3.834,45 9.623,46 3.497,47 3.638,48 6.991,49 7.805,50 8.614,51 9.43,52 5.283,53 28.694,54 78.312,55 3.072,56 2.784,57 2.854,58 0.157,59 0.971,60 0.905,61 6.45,62 7.952,63 4.03,64 4.231,65 -5.23,66 5.31}
{0 CHEMBL790,1 4.487,2 3.414,3 17.797,4 34.461,5 3.038,6 3.701,7 4.061,8 4.163,9 4.053,10 4.911,11 4.911,12 8.154,13 6.096,14 37.161,15 3.984,16 1.371,17 3.46,18 3.414,19 4.333,20 49.56,21 50.681,22 49.631,23 49.314,24 11.484,25 1.976,26 2.997,27 3.022,28 0.409,29 1.074,30 6.904,31 40.792,32 40.745,33 14,34 29.092,35 8.02,36 3.322,37 11351,38 10.647,39 10.41,40 8.717,41 4.938,42 7.762,43 8.096,44 4.08,45 10.613,46 3.871,47 4.007,48 7.418,49 8.229,50 9.011,51 9.823,52 5.765,53 42.148,54 125.87,55 3.508,56 3.191,57 3.257,58 0.104,59 1.353,60 1.271,61 6.909,62 8.38,63 5.595,64 6.066,65 -5.51,66 6.398}
{0 CHEMBL807,1 3,2 2,3 10.406,4 15.207,5 5.536,6 3.15,7 3.74,8 4.031,9 3.824,10 3.857,11 3.857,12 6.992,13 1.908,14 3.64,15 3.622,16 0.916,17 2.222,18 2,19 3.996,20 23.398,21 24.642,22 23.433,23 23.398,24 5.695,25 3.434,26 2.274,27 2.228,28 0.42,29 0.455,30 6.1,31 26.516,32 28.102,33 7.464,34 17.675,35 5.69,36 2.236,37 2352,38 5.686,39 5.375,40 4.466,41 4.669,42 6.019,43 6.019,44 3.881,45 11.191,46 3.526,47 4.06,48 7.235,49 8.261,50 9.15,51 10.177,52 5.533,53 20.62,54 84.721,55 2.862,56 2.488,57 2.582,58 0.246,59 0.79,60 0.665,61 6.629,62 8.44,63 3.608,64 3.608,65 -4.3,66 4.469}
{0 CHEMBL815,1 3.417,2 2.335,3 14.671,4 23.721,5 3.405,6 3.566,7 3.972,8 4.114,9 3.957,10 4.657,11 3.799,12 7.053,13 2.958,14 8.752,15 3.855,16 1.182,17 2.74,18 2.505,19 4.103,20 35.878,21 36.595,22 35.271,23 35.115,24 9.546,25 2.064,26 2.921,27 2.93,28 0.796,29 1.09,30 6.28,31 36.664,32 36.864,33 11.347,34 30.719,35 9.197,36 2.99,37 3962,38 9.464,39 9.272,40 7.728,41 4.911,42 5.427,43 5.427,44 4.084,45 12.32,46 3.584,47 3.738,48 7.13,49 7.968,50 8.796,51 9.646,52 5.442,53 35.216,54 90.425,55 3.302,56 3.063,57 3.157,58 0.128,59 1.361,60 1.313,61 6.558,62 8.04,63 3.718,64 3.718,65 -3.44,66 6.476}
{0 CHEMBL84,1 4.931,2 3.734,3 18.839,4 46.207,5 4.582,6 3.639,7 4.087,8 4.305,9 4.292,10 5.717,11 5.545,12 8.467,13 1.552,14 2.41,15 4.088,16 1.324,17 4.569,18 4.277,19 4.643,20 55.561,21 58.566,22 54.708,23 54.631,24 10.206,25 3.348,26 2.916,27 2.938,28 0.652,29 0.989,30 8.89,31 26.393,32 38.741,33 13.902,34 30.107,35 7.363,36 3,37 89893,38 10.033,39 9.711,40 8.011,41 6.253,42 11.068,43 11.068,44 4.324,45 13.149,46 4.407,47 4.745,48 7.999,49 8.948,50 9.895,51 10.846,52 6.184,53 35.904,54 177.789,55 3.248,56 3.02,57 3.105,58 0.131,59 1.262,60 1.212,61 7.292,62 9.011,63 9.751,64 9.751,65 -2.8,66 4.215}
{0 CHEMBL85,1 4.515,2 3.47,3 19.024,4 55.892,5 4.944,6 3.674,7 4.114,8 4.278,9 4.203,10 5.316,11 5.181,12 8.58,13 3.318,14 11.006,15 4.068,16 1.559,17 3.933,18 3.712,19 4.532,20 52.141,21 53.27,22 51.633,23 51.468,24 10.963,25 3.639,26 2.941,27 2.948,28 0.805,29 1.064,30 8.281,31 35.976,32 39.453,33 13.955,34 31.283,35 8.615,36 3.052,37 53500,38 10.812,39 10.606,40 8.676,41 6.695,42 10.213,43 9.954,44 4.255,45 12.69,46 4.234,47 4.522,48 7.777,49 8.675,50 9.568,51 10.467,52 5.989,53 37.006,54 152.137,55 3.297,56 3.029,57 3.169,58 0.133,59 1.163,60 1.099,61 7.127,62 8.767,63 8.198,64 7.951,65 -4.84,66 4.959}
{0 CHEMBL87563,1 3.161,2 2,3 11.625,4 41.547,5 1.822,6 3.311,7 3.614,8 3.676,9 3.615,10 4.18,11 3.708,12 4.836,13 2.125,14 4.517,15 3.563,16 0.87,17 2.646,18 2.204,19 3.96,20 32.252,21 33.301,22 32.062,23 32.041,24 7.559,25 1.109,26 2.735,27 2.715,28 0.218,29 0.821,30 6.08,31 24.364,32 23.109,33 9.272,34 18.472,35 5.898,36 2.771,37 3096,38 7.432,39 7.278,40 6.096,41 2.931,42 4.77,43 4.77,44 3.62,45 6.687,46 3.434,47 3.526,48 6.965,49 7.772,50 8.561,51 9.373,52 5.313,53 28.449,54 80.147,55 3.176,56 2.936,57 2.952,58 0.164,59 1.055,60 1.031,61 6.454,62 7.92,63 3.322,64 3.322,65 -3.66,66 6.046}
{0 CHEMBL90,1 0.211,3 4.005,4 7.397,5 0.576,6 2.315,7 2.618,8 2.48,9 2.309,10 1.663,11 1,12 1.599,13 -0.714,14 0.509,15 2.542,16 0.323,19 2.837,20 11.061,21 11.396,22 10.816,23 10.838,24 2.61,25 0.206,26 0.856,27 0.783,30 4.078,31 7.41,32 5.678,33 3.055,34 3.841,35 1.959,36 0.704,37 168,38 2.561,39 2.52,40 2.127,41 0.955,42 1.707,43 1.707,44 2.201,45 1.342,46 2.398,47 2.485,48 5.814,49 6.589,50 7.353,51 8.129,52 4.143,53 10.301,54 25.238,55 2.09,56 1.482,57 1.336,58 0.435,61 5.283,62 6.681,63 0.697,64 0.697,65 -0.89,66 2.886}
{0 CHEMBL900,1 3.247,2 2,3 11.324,4 16.255,5 2.227,6 3.351,7 3.696,8 3.849,9 3.723,10 3.881,11 3.59,12 5.321,13 3.871,14 14.985,15 3.609,16 0.896,17 2.335,18 2.229,19 3.946,20 30.726,21 31.369,22 30.37,23 30.33,24 7.05,25 1.511,26 2.735,27 2.715,28 0.537,29 0.821,30 6.05,31 21.161,32 25.162,33 8.286,34 15.586,35 4.614,36 2.687,37 2491,38 6.974,39 6.647,40 5.637,41 3.396,42 5.104,43 5.104,44 3.851,45 9.973,46 3.526,47 3.738,48 7.054,49 7.906,50 8.752,51 9.609,52 5.323,53 27.836,54 80.399,55 3.117,56 2.89,57 2.874,58 0.186,59 1.074,60 1.001,61 6.475,62 8.03,63 4.026,64 4.026,65 -4.73,66 5.602}
{0 CHEMBL902,1 3.045,2 2,3 10.196,4 75.316,5 3.243,6 3.207,7 3.517,8 3.505,9 3.365,10 4.337,11 3.556,12 6.868,13 -0.355,14 0.126,15 3.393,16 0.832,17 2.339,18 2,19 3.829,20 29.105,21 29.35,22 28.82,23 29.044,24 8.853,25 2.011,26 2.23,27 2.231,28 0.113,29 0.516,30 5.784,31 19.661,32 29.408,33 7.784,34 16.911,35 5.387,36 2.435,37 2022,38 5.476,39 5.042,40 4.2,41 4.135,42 4.395,43 6.368,44 3.546,45 7.63,46 3.258,47 3.466,48 6.903,49 7.757,50 8.523,51 9.375,52 5.333,53 23.938,54 79.526,55 2.929,56 2.593,57 2.552,58 0.222,59 0.912,60 0.84,61 6.415,62 7.886,63 2.397,64 3.686,65 -1.31,66 4.442}
{0 CHEMBL920,3 3.399,4 2.106,5 0.335,6 2.31,7 2.677,8 2.94,9 2.687,10 2,11 0.282,12 3.034,13 -1.574,14 2.478,15 2.575,16 0.314,19 2.648,20 8.427,21 8.769,22 8.461,23 8.427,24 2.67,26 0.493,27 0.491,30 3.367,31 10.041,32 9.851,33 2.927,34 5.054,35 1.947,36 0.584,37 46,38 2.586,39 2.395,40 2.132,41 0.862,42 0.75,43 0.75,44 2.716,45 2.491,46 1.609,47 1.386,48 5.434,49 6.286,50 6.913,51 7.768,52 4.174,53 11.409,54 23.581,55 2.027,56 1.29,57 1.041,58 0.516,61 5.198,62 6.65,65 2.13,66 3.721}
{0 CHEMBL932,1 4.418,2 3.247,3 21.521,4 44.795,5 5.005,6 3.8,7 4.213,8 4.4,9 4.319,10 5.584,11 4.822,12 9.356,13 2.484,14 6.169,15 4.162,16 1.732,17 3.61,18 3.462,19 4.512,20 56.796,21 59.468,22 56.993,23 56.855,24 13.228,25 3.552,26 3.126,27 3.124,28 0.873,29 1.262,30 8.071,31 48.334,32 48.812,33 17.249,34 43.255,35 10.878,36 3.178,37 31463,38 12.967,39 12.826,40 10.509,41 6.84,42 10.968,43 10.968,44 4.441,45 11.974,46 4.29,47 4.615,48 7.84,49 8.743,50 9.65,51 10.563,52 6.023,53 46.046,54 159.043,55 3.427,56 3.126,57 3.368,58 0.119,59 1.327,60 1.262,61 7.172,62 8.796,63 9.549,64 9.549,65 -3.26,66 5.585}
{0 CHEMBL9324,1 0.586,3 4.976,4 8.423,5 1.5,6 2.716,7 3.06,8 3.349,9 3.152,10 0.838,11 0.586,12 2.914,13 0.361,14 0.13,15 2.891,16 0.499,19 2.886,20 10.314,21 14.81,22 10.37,23 10.314,24 4.243,26 1.905,27 1.841,28 0.058,29 0.143,30 3.829,31 13.833,32 15.259,33 3.5,34 9.414,35 3.454,36 1.749,37 88,38 4.195,39 3.957,40 3.464,41 3,42 1.5,43 1.5,44 3.506,45 6.666,46 2.565,47 1.946,48 5.994,49 6.804,50 7.601,51 8.412,52 4.489,53 16.239,54 29.62,55 2.403,56 1.905,57 2.233,58 0.413,59 0.308,60 0.143,61 5.549,62 7.136,65 0.18,66 4.201}
{0 CHEMBL941,1 4.806,2 3.541,3 21.544,4 38.145,5 4.278,6 3.85,7 4.233,8 4.395,9 4.31,10 5.313,11 5.204,12 9.392,13 4.221,14 17.813,15 4.187,16 1.689,17 4.15,18 4.047,19 4.656,20 61.129,21 61.655,22 60.676,23 60.636,24 12.457,25 3.137,26 3.036,27 3.031,28 0.735,29 1.136,30 8.411,31 34.233,32 41.833,33 15.83,34 29.967,35 7.718,36 3.084,37 68589,38 12.293,39 11.937,40 9.945,41 6.573,42 10.811,43 10.811,44 4.367,45 14.546,46 4.277,47 4.5,48 7.812,49 8.671,50 9.522,51 10.381,52 6.071,53 45.631,54 168.484,55 3.467,56 3.214,57 3.242,58 0.097,59 1.344,60 1.291,61 7.225,62 8.801,63 9.213,64 9.213,65 -4.14,66 5.377}
{0 CHEMBL95,1 2.843,2 1.541,3 9.542,4 23.554,5 2.41,6 3.087,7 3.508,8 3.619,9 3.515,10 3.757,11 3.594,12 4.175,13 2.79,14 7.784,15 3.426,16 0.695,17 2,18 2,19 3.859,20 25.424,21 26.284,22 25.44,23 25.399,24 5.52,25 1.792,26 2.355,27 2.37,28 0.168,29 0.509,30 6.372,31 16.162,32 15.775,33 6.368,34 10.241,35 3.834,36 2.467,37 4073,38 5.496,39 5.378,40 4.446,41 3.213,42 5.149,43 5.149,44 3.494,45 5.427,46 3.555,47 3.85,48 7.076,49 7.974,50 8.871,51 9.771,52 5.273,53 19.58,54 73.989,55 2.833,56 2.547,57 2.638,58 0.268,59 0.699,60 0.623,61 6.435,62 8.104,63 4.302,64 4.302,65 -3.44,66 6.167}
{0 CHEMBL959,1 2.306,2 1.236,3 10.375,4 15.207,5 4.735,6 3.15,7 3.718,8 3.965,9 3.754,10 4.515,11 3.396,12 6.069,13 2.205,14 4.86,15 3.582,16 0.902,17 2.268,18 1.859,19 3.884,20 23.095,21 24.778,22 23.112,23 23.095,24 5.934,25 4.015,26 2.274,27 2.228,28 0.325,29 0.455,30 6.073,31 25.097,32 25.496,33 7.419,34 16.477,35 5.927,36 2.161,37 2358,38 5.923,39 5.721,40 4.712,41 5.052,42 4.885,43 4.885,44 3.813,45 9.983,46 3.526,47 3.892,48 7.125,49 8.076,50 8.993,51 9.943,52 5.352,53 20.62,54 75.051,55 2.897,56 2.3,57 2.524,58 0.236,59 0.682,60 0.512,61 6.494,62 8.261,63 4.226,64 4.226,65 -4.3,66 5.357}