"molecule_id","P_VSA_LogP_3","SsOH","nROH","NsOH","O.056","P_VSA_MR_3","CATS2D_01_DD","nRNHO","SAdon","ATSC1s","LOC","nN.CO.2","GATS1s","CATS2D_02_DD","ATSC7m","nCONN","ATS6s","GGI5","SpDiam_AEA.ed.","Eig03_AEA.ed.","ATS7e","ATS7s","ATS6m","SpDiam_EA.ed.","MATS3s","MATS1e","ATS7i","ATSC6p","ATSC8m","X3v","ATS6p","Eig01_AEA.ri.","SpMax_AEA.ri.","Eig14_AEA.dm.","P_VSA_s_5","ATS5v","ATSC6i","ATSC7p","ATS6v","P_VSA_e_5","P_VSA_m_3","CATS2D_02_DA","Eig03_EA","SM11_AEA.bo.","GATS3s","C.006","Eig13_AEA.dm.","ATSC1e","ATS5p","ATS6e","Eig15_AEA.ri.","SpDiam_AEA.ri.","IC2","ATSC3i","DBI","GATS2m","X4v","TIC1","ATSC8s","Eig03_EA.ed.","SM12_AEA.dm.","ATS1i","P_VSA_s_6","ATS4v","pXC50"
{1 127.15,2 9.608,3 1,4 1,5 1,6 42.806,7 1,8 1,9 129.321,10 86.053,11 0.927,13 0.584,15 85.407,17 7.484,18 3.229,19 6.988,20 6.64,21 5.886,22 7.175,23 5.067,24 19.289,25 0.037,26 -0.047,27 6.1,28 24.606,29 85.65,30 9.198,31 4.869,32 4.29,33 4.29,34 2.121,35 86.516,36 4.808,37 5.042,38 25.018,39 4.863,40 179.53,41 269.291,42 5,43 3.095,44 3.095,45 0.583,46 7,47 2.164,48 0.511,49 4.819,50 5.869,51 2.235,52 5.357,53 5.144,54 3.223,55 5.523,56 0.785,57 6.267,58 366.514,59 522.822,60 10.589,61 10.589,62 4.784,63 269.291,64 4.751,65 8.337}
{0 CHEMBL115263,1 118.616,2 9.497,3 1,4 1,5 1,6 42.806,7 1,8 1,9 144.208,10 60.393,11 1.308,13 0.611,15 74.73,17 6.981,18 1.972,19 7.054,20 6.152,21 5.744,22 6.939,23 4.747,24 20.149,25 -0.001,26 -0.054,27 5.967,28 21.459,29 72.057,30 7.374,31 4.747,32 4.297,33 4.297,34 1.751,35 68.505,36 4.67,37 3.217,38 21.751,39 4.706,40 179.53,41 224.411,42 6,43 2.781,44 2.781,45 0.695,46 3,47 1.897,48 0.36,49 4.695,50 5.708,51 2.087,52 5.359,53 5.127,54 2.502,55 4.848,56 0.815,57 5.1,58 311.05,59 382.894,60 8.945,61 8.945,62 4.603,63 257.308,64 4.594,65 8.824}
{0 CHEMBL132928,1 158.784,2 9.238,3 1,4 1,5 1,6 42.806,7 1,8 1,9 75.289,10 19.342,11 0.756,13 0.601,15 35.912,17 6.359,18 1.368,19 6.353,20 6.361,21 5.087,22 6.341,23 4.216,24 17.727,25 0.037,26 -0.023,27 5.299,28 13.15,29 34.383,30 6.641,31 4.3,32 4.135,33 4.135,34 1.373,35 32.483,36 4.251,37 1.796,38 13.628,39 4.234,40 138.748,41 138.748,42 2,43 2.891,44 2.891,45 0.832,46 3,47 1.393,48 0.183,49 4.288,50 5.105,51 1.967,52 5.198,53 5.062,54 1.854,55 4.183,56 0.892,57 4.631,58 251.866,59 103.501,60 9.557,61 9.557,62 4.378,63 155.533,64 4.284,65 9.097}
{0 CHEMBL133028,1 135.741,2 9.279,3 1,4 1,5 1,6 42.806,7 1,8 1,9 75.289,10 15.975,11 0.756,13 0.631,15 42.633,17 6.394,18 1.396,19 6.54,20 5.771,21 5.15,22 6.263,23 4.395,24 18.512,25 0.012,27 5.36,28 16.117,29 40.104,30 7.483,31 4.439,32 4.172,33 4.172,34 1.367,35 32.483,36 4.366,37 2.153,38 15.279,39 4.344,40 104.095,41 104.095,42 2,43 2.669,44 2.669,45 0.882,46 3,47 1.423,48 0.126,49 4.447,50 5.252,51 2,52 5.263,53 5.241,54 2.021,55 4,56 0.897,57 5.621,58 271.242,59 71.016,60 7.771,61 7.771,62 4.42,63 137.666,64 4.356,65 9}
{0 CHEMBL133259,1 128.092,2 9.172,3 1,4 1,5 1,6 42.806,7 1,8 1,9 75.289,10 13.973,11 0.783,13 0.614,15 38.193,17 6.27,18 1.174,19 6.326,20 5.669,21 5.107,22 6.112,23 4.12,24 17.64,25 0.028,26 0.018,27 5.348,28 15.25,29 36.059,30 6.851,31 4.341,32 4.109,33 4.109,34 1.367,35 32.483,36 4.294,37 1.95,38 13.4,39 4.229,40 104.095,41 104.095,42 2,43 2.721,44 2.721,45 0.843,46 4,47 1.393,48 0.096,49 4.387,50 5.245,51 1.531,52 5.176,53 4.936,54 1.994,55 4,56 0.945,57 4.94,58 252.94,59 73.64,60 7.874,61 7.874,62 4.435,63 120.881,64 4.32,65 9}
{0 CHEMBL134640,1 128.092,2 9.073,3 1,4 1,5 1,6 42.806,7 1,8 1,9 75.289,10 18.06,11 0.946,13 0.6,15 31.409,17 6.267,18 1.375,19 6.341,20 5.894,21 4.935,22 6.212,23 4.058,24 17.671,25 -0.037,26 -0.01,27 5.149,28 11.394,29 30.925,30 6.067,31 4.14,32 4.117,33 4.117,34 1.245,35 32.483,36 4.128,37 1.56,38 11.251,39 4.068,40 129.24,41 129.24,42 2,43 2.696,44 2.696,45 0.938,46 3,47 1.373,48 0.149,49 4.191,50 4.988,51 1.526,52 5.18,53 4.94,54 1.744,55 4.123,56 0.873,57 4.176,58 229.049,59 96.927,60 8.102,61 8.102,62 4.308,63 146.026,64 4.201,65 9}
{0 CHEMBL134782,1 135.741,2 9.216,3 1,4 1,5 1,6 42.806,7 1,8 1,9 75.289,10 15.971,11 0.756,13 0.63,15 40,17 6.298,18 1.222,19 6.326,20 5.657,21 5.102,22 6.172,23 4.245,24 17.64,25 -0.005,27 5.329,28 15.436,29 37.055,30 7.533,31 4.378,32 4.108,33 4.108,34 1.367,35 32.483,36 4.316,37 1.994,38 14.174,39 4.272,40 104.095,41 104.095,42 2,43 2.674,44 2.674,45 0.897,46 4,47 1.393,48 0.126,49 4.407,50 5.191,51 2,52 5.194,53 5.211,54 2.011,55 4,56 0.901,57 5.55,58 269.242,59 66.205,60 7.673,61 7.673,62 4.42,63 137.666,64 4.334,65 9.097}
{0 CHEMBL134908,1 128.092,2 9.032,3 1,4 1,5 1,6 42.806,7 1,8 1,9 75.289,10 15.078,11 0.871,13 0.638,15 29.931,17 6.18,18 1.167,19 6.509,20 5.716,21 4.886,22 5.926,23 3.961,24 18.292,25 0.017,26 0.008,27 5.11,28 12.071,29 29.671,30 6.044,31 4.147,32 4.154,33 4.154,34 1,35 32.483,36 4.152,37 1.612,38 11.257,39 4.055,40 104.095,41 104.095,42 2,43 2.667,44 2.667,45 0.864,46 2,47 1.367,48 0.112,49 4.224,50 5.068,51 1.261,52 5.22,53 4.979,54 1.786,55 3.808,56 0.878,57 4.431,58 232.716,59 48.136,60 7.644,61 7.644,62 4.324,63 120.881,64 4.222,65 8.208}
{0 CHEMBL135177,1 128.092,2 8.945,3 1,4 1,5 1,6 42.806,7 1,8 1,9 75.289,10 15.471,11 0.805,13 0.604,15 22.924,17 5.944,18 0.854,19 6.315,20 5.648,21 4.652,22 5.684,23 3.767,24 17.548,25 0.047,26 0.024,27 4.877,28 9.281,29 21.999,30 5.656,31 3.95,32 4.085,33 4.085,34 0.989,35 66.545,36 3.934,37 1.234,38 9.589,39 3.864,40 93.096,41 93.096,42 2,43 2.67,44 2.67,45 0.81,47 1,48 0.096,49 3.992,50 4.719,51 1.253,52 5.123,53 4.398,54 1.605,55 3.674,56 0.896,57 4.011,58 195.796,59 41.23,60 7.626,61 7.626,62 4.192,63 109.881,64 4.044,65 5.14}
{0 CHEMBL135499,1 128.092,2 9.171,3 1,4 1,5 1,6 42.806,7 1,8 1,9 75.289,10 15.146,11 0.965,13 0.648,15 37.674,17 6.263,18 1.458,19 6.333,20 5.894,21 5.081,22 6.205,23 4.101,24 17.671,25 0.007,26 0.019,27 5.309,28 14.366,29 36.42,30 6.604,31 4.289,32 4.116,33 4.116,34 1.359,35 32.483,36 4.266,37 1.84,38 12.463,39 4.186,40 104.095,41 104.095,42 2,43 2.696,44 2.696,45 0.861,46 3,47 1.367,48 0.096,49 4.372,50 5.196,51 1.531,52 5.181,53 4.98,54 1.978,55 4.183,56 0.875,57 4.653,58 250.931,59 89.663,60 8.102,61 8.102,62 4.411,63 120.881,64 4.322,65 8.921}
{0 CHEMBL135696,1 128.092,2 8.952,3 1,4 1,5 1,6 42.806,7 1,8 1,9 75.289,10 15.277,11 0.805,13 0.616,15 26.377,17 5.999,18 0.917,19 6.317,20 5.647,21 4.768,22 5.746,23 3.818,24 17.548,25 0.049,26 0.01,27 5.001,28 10.105,29 25.6,30 5.775,31 4.022,32 4.085,33 4.085,34 1,35 32.483,36 3.992,37 1.362,38 10.555,39 3.927,40 104.095,41 104.095,42 2,43 2.666,44 2.666,45 0.804,46 1,47 1.245,48 0.111,49 4.054,50 4.839,51 1.252,52 5.147,53 4.548,54 1.641,55 3.674,56 0.924,57 4.117,58 204.444,59 57.921,60 7.62,61 7.62,62 4.234,63 120.881,64 4.083,65 8.097}
{0 CHEMBL135766,1 128.092,2 9.195,3 1,4 1,5 1,6 42.806,7 1,8 1,9 75.289,10 18.111,11 0.783,13 0.578,15 35.965,17 6.314,18 1.319,19 6.354,20 6.391,21 5.061,22 6.261,23 4.14,24 17.739,25 0.002,26 -0.004,27 5.285,28 13.62,29 34.754,30 6.571,31 4.277,32 4.143,33 4.143,34 1.373,35 32.483,36 4.229,37 1.801,38 13.086,39 4.186,40 129.24,41 129.24,42 2,43 2.942,44 2.942,45 0.894,46 3,47 1.393,48 0.138,49 4.298,50 5.129,51 1.933,52 5.207,53 4.882,54 1.864,55 4.183,56 0.928,57 4.596,58 240.628,59 104.811,60 9.664,61 9.664,62 4.378,63 146.026,64 4.266,65 8.699}
{0 CHEMBL136353,1 158.784,2 9.254,3 1,4 1,5 1,6 42.806,7 1,8 1,9 75.289,10 18.988,11 0.787,13 0.607,15 40.964,17 6.403,18 1.452,19 6.345,20 6.361,21 5.184,22 6.386,23 4.258,24 17.727,25 0.019,26 -0.017,27 5.412,28 14.303,29 36.299,30 6.838,31 4.378,32 4.135,33 4.135,34 1.393,35 32.483,36 4.314,37 1.931,38 15.192,39 4.301,40 138.748,41 138.748,42 2,43 2.891,44 2.891,45 0.856,46 3,47 1.424,48 0.17,49 4.353,50 5.173,51 2,52 5.2,53 5.099,54 1.939,55 4.243,56 0.855,57 4.824,58 264.494,59 104.174,60 9.557,61 9.557,62 4.42,63 155.533,64 4.335,65 8.523}
{0 CHEMBL137013,1 128.092,2 9.257,3 1,4 1,5 1,6 42.806,7 1,8 1,9 93.3,10 18.224,11 1.179,13 0.632,15 48.837,16 1,17 6.447,18 1.653,19 6.338,20 6.476,21 5.326,22 6.434,23 4.273,24 17.701,25 -0.061,26 -0.007,27 5.584,28 15.743,29 44.414,30 6.612,31 4.434,32 4.151,33 4.151,34 1.393,35 50.494,36 4.351,37 2.053,38 16.879,39 4.339,40 129.24,41 129.24,42 4,43 3.073,44 3.073,45 0.912,46 3,47 1.423,48 0.128,49 4.402,50 5.273,51 2,52 5.218,53 5.013,54 2.194,55 4.95,56 0.807,57 4.744,58 284.069,59 89.971,60 10.219,61 10.219,62 4.512,63 146.026,64 4.394,65 9.387}
{0 CHEMBL137065,1 142.947,2 9.29,3 1,4 1,5 1,6 42.806,7 1,8 1,9 75.289,10 28.868,11 0.827,13 0.642,15 41.767,17 6.597,18 1.792,19 7.353,20 6.531,21 5.198,22 6.575,23 4.44,24 21.7,25 0.023,26 0.037,27 5.401,28 15.167,29 42.007,30 8.842,31 4.413,32 4.446,33 4.446,34 1.393,35 32.483,36 4.388,37 2.104,38 14.786,39 4.351,40 148.408,41 148.408,42 2,43 3.067,44 3.067,45 0.843,46 3,47 1.423,48 0.231,49 4.443,50 5.298,51 2.019,52 5.562,53 5.276,54 2.17,55 4.637,56 0.802,57 6.449,58 292.049,59 104.765,60 10.315,61 10.315,62 4.482,63 181.979,64 4.429,65 9.509}
{0 CHEMBL137297,1 146.103,2 8.937,3 1,4 1,5 1,6 42.806,7 1,8 1,9 93.3,10 15.929,11 0.844,13 0.644,15 27.315,17 6.05,18 1,19 6.31,20 5.647,21 4.802,22 5.83,23 3.876,24 17.548,25 0.002,26 -0.012,27 5.031,28 11.209,29 26.595,30 5.712,31 4.072,32 4.083,33 4.083,34 1,35 50.494,36 4.061,37 1.443,38 10.453,39 3.977,40 104.095,41 104.095,42 2,43 2.666,44 2.666,45 0.878,46 3,47 1.367,48 0.13,49 4.129,50 4.942,51 1.25,52 5.147,53 4.905,54 1.691,55 3.742,56 0.897,57 4.076,58 221.844,59 45.427,60 7.621,61 7.621,62 4.279,63 120.881,64 4.136,65 8.824}
{0 CHEMBL137315,1 128.092,2 9.017,3 1,4 1,5 1,6 42.806,7 1,8 1,9 75.289,10 15.071,11 0.871,13 0.638,15 30.572,17 6.172,18 1.111,19 6.323,20 5.65,21 4.895,22 5.94,23 3.967,24 17.623,25 -0.003,26 0.008,27 5.13,28 11.792,29 28.646,30 6.046,31 4.134,32 4.102,33 4.102,34 1,35 32.483,36 4.131,37 1.571,38 10.875,39 4.045,40 104.095,41 104.095,42 2,43 2.668,44 2.668,45 0.882,46 3,47 1.367,48 0.112,49 4.205,50 5.033,51 1.296,52 5.167,53 4.946,54 1.779,55 3.808,56 0.883,57 4.322,58 230.716,59 52.844,60 7.622,61 7.622,62 4.324,63 120.881,64 4.205,65 8.301}
{0 CHEMBL137323,1 135.741,2 9.276,3 1,4 1,5 1,6 42.806,7 1,8 1,9 75.289,10 20.011,11 0.762,13 0.614,15 38.626,17 6.485,18 1.628,19 6.335,20 5.997,21 5.157,22 6.417,23 4.384,24 17.681,25 -0.023,26 -0.025,27 5.361,28 14.899,29 42.926,30 7.563,31 4.361,32 4.118,33 4.118,34 1.423,35 32.483,36 4.325,37 1.978,38 14.48,39 4.303,40 140.24,41 140.24,42 2,43 2.729,44 2.729,45 0.872,46 4,47 1.691,48 0.189,49 4.367,50 5.227,51 2,52 5.24,53 5.254,54 2.003,55 4.472,56 0.921,57 5.404,58 283.108,59 84.619,60 8.471,61 8.471,62 4.463,63 173.811,64 4.362,65 9.523}
{0 CHEMBL137365,1 128.092,2 9.21,3 1,4 1,5 1,6 42.806,7 1,8 1,9 75.289,10 19.292,11 0.799,13 0.602,15 40.685,17 6.411,18 1.479,19 6.335,20 6.034,21 5.164,22 6.366,23 4.236,24 17.683,25 -0.024,26 -0.013,27 5.393,28 14.569,29 37.331,30 6.604,31 4.34,32 4.12,33 4.12,34 1.393,35 32.483,36 4.293,37 1.876,38 14.51,39 4.261,40 140.24,41 140.24,42 2,43 2.805,44 2.805,45 0.867,46 3,47 1.423,48 0.16,49 4.337,50 5.201,51 2,52 5.23,53 5.046,54 1.913,55 4.359,56 0.885,57 4.66,58 262.32,59 81.003,60 8.648,61 8.648,62 4.437,63 157.026,64 4.323,65 9.081}
{0 CHEMBL137383,1 128.092,2 9.2,3 1,4 1,5 1,6 42.806,7 1,8 1,9 75.289,10 18.932,11 1.173,13 0.627,15 43.928,17 6.432,18 1.542,19 6.335,20 6.013,21 5.224,22 6.399,23 4.241,24 17.682,25 -0.039,26 -0.008,27 5.466,28 14.823,29 39.954,30 6.437,31 4.36,32 4.119,33 4.119,34 1.393,35 32.483,36 4.304,37 1.903,38 15.321,39 4.275,40 140.24,41 140.24,42 2,43 2.739,44 2.739,45 0.883,46 3,47 1.423,48 0.15,49 4.347,50 5.221,51 2,52 5.187,53 5.089,54 1.967,55 4.637,56 0.834,57 4.601,58 268.798,59 83.722,60 8.539,61 8.539,62 4.454,63 157.026,64 4.338,65 9.357}
{0 CHEMBL137406,1 128.092,2 8.895,3 1,4 1,5 1,6 42.806,7 1,8 1,9 75.289,10 14.371,11 0.881,13 0.618,15 23.093,17 5.893,18 0.826,19 6.43,20 5.454,21 4.622,22 5.652,23 3.674,24 17.548,25 0.046,26 0.015,27 4.853,28 8.681,29 22.499,30 4.92,31 3.855,32 4.085,33 4.085,34 0.574,35 32.483,36 3.82,37 1.138,38 8.856,39 3.769,40 104.095,41 104.095,42 2,43 2.518,44 2.518,45 0.807,46 1,47 1,48 0.104,49 3.879,50 4.698,51 0.48,52 5.14,53 4.196,54 1.428,55 3.536,56 0.963,57 3.452,58 173.215,59 40.435,60 7.117,61 7.117,62 4.13,63 104.095,64 3.901,65 7.051}
{0 CHEMBL137646,1 146.103,2 8.944,3 1,4 1,5 1,6 42.806,7 1,8 1,9 93.3,10 15.929,11 0.844,13 0.644,15 27.29,17 6.077,18 1,19 6.31,20 5.647,21 4.795,22 5.817,23 3.884,24 17.548,25 0.002,26 -0.012,27 5.03,28 11.089,29 25.659,30 5.712,31 4.062,32 4.083,33 4.083,34 1,35 50.494,36 4.06,37 1.444,38 10.123,39 3.969,40 104.095,41 104.095,42 2,43 2.666,44 2.666,45 0.878,46 3,47 1.367,48 0.13,49 4.126,50 4.946,51 1.249,52 5.147,53 4.905,54 1.691,55 3.742,56 0.897,57 4.076,58 221.844,59 43.511,60 7.621,61 7.621,62 4.279,63 120.881,64 4.136,65 8.523}
{0 CHEMBL137703,1 128.092,2 9.195,3 1,4 1,5 1,6 42.806,7 1,8 1,9 75.289,10 17.34,11 1.05,13 0.611,15 40.379,17 6.407,18 1.514,19 6.341,20 6.251,21 5.155,22 6.355,23 4.19,24 17.702,25 -0.006,26 0.005,27 5.389,28 15.968,29 38.418,30 6.648,31 4.369,32 4.129,33 4.129,34 1.393,35 32.483,36 4.317,37 1.992,38 14.11,39 4.262,40 129.24,41 129.24,42 2,43 2.82,44 2.82,45 0.903,46 3,47 1.423,48 0.119,49 4.397,50 5.285,51 1.704,52 5.194,53 4.974,54 2.013,55 4.528,56 0.84,57 4.725,58 257.726,59 98.13,60 9.071,61 9.071,62 4.437,63 146.026,64 4.348,65 9.658}
{0 CHEMBL137732,1 128.092,2 9.112,3 1,4 1,5 1,6 42.806,7 1,8 1,9 75.289,10 18.824,11 1.038,13 0.614,15 35.021,17 6.386,18 1.486,19 6.335,20 5.987,21 5.028,22 6.321,23 4.162,24 17.679,25 -0.011,26 -0.019,27 5.243,28 13.523,29 32.822,30 6.275,31 4.238,32 4.118,33 4.118,34 1.393,35 32.483,36 4.23,37 1.73,38 12.299,39 4.163,40 140.24,41 140.24,42 2,43 2.713,44 2.713,45 0.839,46 3,47 1.423,48 0.174,49 4.281,50 5.154,51 1.533,52 5.184,53 5.062,54 1.82,55 4.301,56 0.852,57 4.454,58 248.186,59 78.289,60 8.414,61 8.414,62 4.371,63 157.026,64 4.279,65 9.553}
{0 CHEMBL138594,1 128.092,2 9.242,3 1,4 1,5 1,6 42.806,7 1,8 1,9 75.289,10 14.001,11 0.783,13 0.615,15 38.631,17 6.26,18 1.389,19 6.338,20 6.123,21 5.113,22 6.183,23 4.138,24 17.697,25 0.03,26 0.018,27 5.343,28 15.168,29 37.11,30 7.465,31 4.335,32 4.124,33 4.124,34 1.367,35 32.483,36 4.3,37 1.932,38 13.211,39 4.229,40 104.095,41 104.095,42 2,43 2.794,44 2.794,45 0.831,46 3,47 1.393,48 0.096,49 4.401,50 5.232,51 1.538,52 5.19,53 4.922,54 2.027,55 3.873,56 0.932,57 5.064,58 252.45,59 83.778,60 8.971,61 8.971,62 4.435,63 120.881,64 4.337,65 8.796}
{0 CHEMBL143451,1 109.139,2 8.856,3 1,4 1,5 1,6 42.806,7 1,8 1,9 57.278,10 15.811,11 1.29,13 0.664,15 33.806,17 6.089,18 1.285,19 7.406,20 5.788,21 4.921,22 5.963,23 3.883,24 22.85,25 0.051,26 0.003,27 5.166,28 11.94,29 26.483,30 5.851,31 4.079,32 4.611,33 4.611,34 0.981,35 14.473,36 4.12,37 1.473,38 10.477,39 3.974,40 126.095,41 126.095,42 1,43 2.823,44 2.823,45 0.85,46 2,47 1,48 0.136,49 4.224,50 5.015,51 1.197,52 5.675,53 4.638,54 1.556,55 4.183,56 0.84,57 3.777,58 207.553,59 56.893,60 8.315,61 8.315,62 4.274,63 126.095,64 4.196,65 8.155}
{0 CHEMBL144049,1 128.092,2 8.799,3 1,4 1,5 1,6 42.806,7 1,8 1,9 57.278,10 13.677,11 1.181,13 0.639,15 24.416,17 5.881,18 0.938,19 7.655,20 5.642,21 4.608,22 5.697,23 3.647,24 22.85,25 0.074,26 0.026,27 4.851,28 9.898,29 18.402,30 5.013,31 3.867,32 4.611,33 4.611,34 0.388,35 14.473,36 3.914,37 1.223,38 7.959,39 3.749,40 104.095,41 104.095,42 1,43 2.668,44 2.668,45 0.803,46 1,47 0.512,48 0.104,49 4.02,50 4.784,51 0.383,52 5.665,53 4.193,54 1.348,55 3.674,56 0.806,57 3.257,58 164.966,59 44.597,60 7.724,61 7.724,62 4.073,63 104.095,64 3.987,65 6.733}
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{0 CHEMBL144320,1 109.139,2 8.809,3 1,4 1,5 1,6 42.806,7 1,8 1,9 57.278,10 81.848,11 1.268,13 0.625,15 25.336,17 7.13,18 2.202,19 7.397,20 7.052,21 4.731,22 5.974,23 4.378,24 22.85,25 0.059,26 -0.024,27 4.938,28 12.593,29 22.45,30 6.087,31 3.995,32 4.611,33 4.611,34 1.052,35 14.473,36 4.169,37 2.829,38 9.134,39 4.009,40 104.095,41 193.856,42 1,43 3.23,44 3.23,45 0.537,46 2,47 1.286,48 0.468,49 4.168,50 5.177,51 1.197,52 5.676,53 4.58,54 2.214,55 5.244,56 0.604,57 3.93,58 213.556,59 150.19,60 11.446,61 11.446,62 4.263,63 193.856,64 4.243,65 8.699}
{0 CHEMBL144548,1 109.139,2 8.841,3 1,4 1,5 1,6 42.806,7 1,8 1,9 57.278,10 13.755,11 1.165,13 0.651,15 25.959,17 6.021,18 1.105,19 7.397,20 5.672,21 4.703,22 5.796,23 3.76,24 22.85,25 0.065,26 0.04,27 4.923,28 12.12,29 23.667,30 5.721,31 4.013,32 4.611,33 4.611,34 0.5,35 14.473,36 4.056,37 1.459,38 9.056,39 3.881,40 104.095,41 104.095,42 1,43 2.776,44 2.776,45 0.808,46 2,47 1,48 0.081,49 4.185,50 5.033,51 0.653,52 5.669,53 4.58,54 1.591,55 3.937,56 0.799,57 3.98,58 196.461,59 45.433,60 7.94,61 7.94,62 4.234,63 104.095,64 4.156,65 8.398}
{0 CHEMBL146896,1 80.711,2 8.705,3 1,4 1,5 1,6 42.806,7 1,8 1,9 57.278,10 13.446,11 1.467,13 0.64,15 18.967,17 5.708,18 0.987,19 7.403,20 5.609,21 4.341,22 5.515,23 3.374,24 22.85,25 0.082,26 0.017,27 4.573,28 7.132,29 15.592,30 4.27,31 3.548,32 4.611,33 4.611,34 -0.677,35 14.473,36 3.692,37 0.884,38 5.192,39 3.432,40 104.095,41 104.095,42 1,43 2.503,44 2.503,45 0.78,46 1,47 -0.156,48 0.116,49 3.82,50 4.607,51 -0.231,52 5.611,53 4.424,54 1.12,55 3.606,56 0.796,57 2.701,58 144.357,59 41.239,60 7.033,61 7.033,62 3.918,63 104.095,64 3.834,65 6.052}
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{0 CHEMBL148351,1 128.092,2 8.866,3 1,4 1,5 1,6 42.806,7 1,8 1,9 57.278,10 14.759,11 1.064,13 0.635,15 27.019,17 5.997,18 1.195,19 7.542,20 6.46,21 4.751,22 5.859,23 3.836,24 22.85,25 0.08,26 0.025,27 4.971,28 11.658,29 23.748,30 6.168,31 4.028,32 4.611,33 4.611,34 1,35 14.473,36 4.088,37 1.431,38 9.505,39 3.92,40 104.095,41 104.095,42 1,43 2.87,44 2.87,45 0.782,46 2,47 1.201,48 0.103,49 4.199,50 4.931,51 1.197,52 5.673,53 4.771,54 1.641,55 3.937,56 0.828,57 4.103,58 207.358,59 50.145,60 9.697,61 9.697,62 4.233,63 120.881,64 4.197,65 8.745}
{0 CHEMBL181807,1 134.138,2 9.152,3 1,4 1,5 1,6 42.806,7 1,8 1,9 57.278,10 24.312,11 0.978,13 0.664,15 49.785,17 6.475,18 1.757,19 6.995,20 6.463,21 5.174,22 6.4,23 4.349,24 19.98,25 0.016,26 0.089,27 5.391,28 17.926,29 40.883,30 8.741,31 4.404,32 4.278,33 4.278,34 1.356,35 14.473,36 4.355,37 2.041,38 16.192,39 4.278,40 123.263,41 123.263,42 1,43 2.996,44 2.996,45 0.858,46 4,47 1.368,48 0.143,49 4.481,50 5.294,51 1.489,52 5.4,53 5.054,54 2.107,55 4.528,56 0.941,57 6.568,58 260.322,59 141.947,60 9.973,61 9.973,62 4.424,63 140.049,64 4.407,65 8.824}
{0 CHEMBL182730,1 134.138,2 8.963,3 1,4 1,5 1,6 42.806,7 1,8 1,9 57.278,10 24.316,11 1.04,13 0.659,15 37.575,17 6.535,18 1.587,19 7.389,20 6.531,21 5.008,22 6.173,23 4.209,24 22.2,25 -0.014,26 0.081,27 5.225,28 13.747,29 33.963,30 8.433,31 4.253,32 4.535,33 4.535,34 1.051,35 14.473,36 4.29,37 1.779,38 13.627,39 4.179,40 123.263,41 123.263,42 1,43 3.073,44 3.073,45 0.905,46 3,47 1.201,48 0.155,49 4.383,50 5.179,51 1.387,52 5.668,53 4.993,54 1.917,55 4.528,56 0.925,57 6.616,58 240.451,59 75.08,60 10.315,61 10.315,62 4.339,63 140.049,64 4.336,65 8.538}
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{0 CHEMBL184889,1 134.138,2 9.145,3 1,4 1,5 1,6 42.806,7 1,8 1,9 57.278,10 23.771,11 1.191,13 0.664,15 62.497,17 6.675,18 1.914,19 7.413,20 6.531,21 5.404,22 6.506,23 4.432,24 22.42,25 0.001,26 0.092,27 5.663,28 20.188,29 46.148,30 8.814,31 4.57,32 4.546,33 4.546,34 1.19,35 14.473,36 4.495,37 2.443,38 20.32,39 4.443,40 123.263,41 123.263,42 1,43 3.073,44 3.073,45 0.874,46 4,47 1.402,48 0.138,49 4.6,50 5.478,51 1.489,52 5.68,53 5.048,54 2.198,55 4.95,56 0.924,57 7.182,58 269.137,59 146.503,60 10.315,61 10.315,62 4.464,63 140.049,64 4.465,65 7.699}
{0 CHEMBL184942,1 134.138,2 9.198,3 1,4 1,5 1,6 42.806,7 1,8 1,9 57.278,10 23.946,11 1.05,13 0.661,15 52.907,17 6.51,18 1.785,19 6.995,20 6.466,21 5.25,22 6.417,23 4.382,24 19.98,25 0.031,26 0.092,27 5.475,28 19.415,29 47.014,30 9.224,31 4.474,32 4.278,33 4.278,34 1.363,35 14.473,36 4.411,37 2.199,38 17.515,39 4.338,40 123.263,41 123.263,42 1,43 3.002,44 3.002,45 0.84,46 4,47 1.417,48 0.138,49 4.544,50 5.374,51 1.489,52 5.4,53 5.103,54 2.193,55 4.637,56 0.948,57 6.757,58 269.137,59 137.693,60 9.988,61 9.988,62 4.464,63 140.049,64 4.451,65 9}
{0 CHEMBL184975,1 152.149,2 8.945,3 1,4 1,5 1,6 42.806,7 1,8 1,9 75.289,10 25.094,11 1.005,13 0.66,15 39.147,17 6.472,18 1.375,19 7.196,20 6.531,21 5.037,22 6.23,23 4.24,24 21.282,25 0.001,26 0.069,27 5.257,28 14.712,29 32.943,30 8.207,31 4.268,32 4.459,33 4.459,34 1.054,35 32.483,36 4.268,37 1.79,38 13.434,39 4.179,40 123.263,41 123.263,42 1,43 3.073,44 3.073,45 0.872,46 4,47 1.139,48 0.164,49 4.354,50 5.166,51 1.398,52 5.581,53 4.973,54 1.931,55 4.472,56 0.954,57 6.513,58 242.023,59 78.719,60 10.315,61 10.315,62 4.34,63 140.049,64 4.315,65 8.553}
{0 CHEMBL185159,1 143.614,2 9.13,3 1,4 1,5 1,6 42.806,7 1,8 1,9 57.278,10 26.593,11 1.038,13 0.675,15 43.396,17 6.476,18 1.722,19 7.082,20 6.451,21 5.119,22 6.361,23 4.324,24 19.98,25 0.015,26 0.085,27 5.329,28 17.438,29 38.185,30 8.45,31 4.373,32 4.277,33 4.277,34 1.363,35 14.473,36 4.329,37 1.991,38 14.852,39 4.257,40 123.263,41 123.263,42 1,43 2.972,44 2.972,45 0.869,46 5,47 1.417,48 0.149,49 4.439,50 5.257,51 1.489,52 5.399,53 5.181,54 2.019,55 4.416,56 0.978,57 6.494,58 261.392,59 111.73,60 9.93,61 9.93,62 4.395,63 155.816,64 4.372,65 8.745}
{0 CHEMBL185160,1 152.149,2 8.95,3 1,4 1,5 1,6 42.806,7 1,8 1,9 75.289,10 25.094,11 1.005,13 0.66,15 38.524,17 6.521,18 1.375,19 7.196,20 6.531,21 5.025,22 6.209,23 4.249,24 21.282,25 -0.003,26 0.069,27 5.246,28 14.349,29 33.327,30 8.311,31 4.261,32 4.46,33 4.46,34 1.054,35 32.483,36 4.276,37 1.786,38 13.586,39 4.179,40 123.263,41 123.263,42 1,43 3.073,44 3.073,45 0.875,46 4,47 1.077,48 0.164,49 4.362,50 5.169,51 1.397,52 5.582,53 4.909,54 1.927,55 4.472,56 0.954,57 6.529,58 242.023,59 77.148,60 10.315,61 10.315,62 4.34,63 140.049,64 4.326,65 7.854}
{0 CHEMBL185279,1 152.149,2 8.871,3 1,4 1,5 1,6 42.806,7 1,8 1,9 75.289,10 26.161,11 0.887,13 0.667,15 28.515,17 6.28,18 1.341,19 6.994,20 6.441,21 4.751,22 5.967,23 4.034,24 19.978,25 -0.006,26 0.059,27 4.954,28 11.977,29 26.303,30 7.489,31 4.065,32 4.274,33 4.274,34 1.005,35 32.483,36 4.09,37 1.452,38 10.758,39 3.975,40 123.263,41 123.263,42 1,43 2.951,44 2.951,45 0.907,46 3,47 1.23,48 0.177,49 4.169,50 4.962,51 1.199,52 5.405,53 4.968,54 1.712,55 4.123,56 0.963,57 5.657,58 223.31,59 68.598,60 9.867,61 9.867,62 4.246,63 140.049,64 4.159,65 9}
{0 CHEMBL185321,1 152.149,2 8.938,3 1,4 1,5 1,6 42.806,7 1,8 1,9 75.289,10 25.207,11 1.005,13 0.662,15 38.763,17 6.487,18 1.375,19 7.196,20 6.531,21 5.031,22 6.231,23 4.241,24 21.282,25 -0.012,26 0.069,27 5.246,28 14.56,29 33.322,30 8.102,31 4.267,32 4.446,33 4.446,34 1.054,35 32.483,36 4.268,37 1.804,38 13.517,39 4.184,40 123.263,41 123.263,42 1,43 3.073,44 3.073,45 0.891,46 3,47 1.164,48 0.164,49 4.36,50 5.177,51 1.397,52 5.57,53 4.949,54 1.948,55 4.472,56 0.946,57 6.361,58 241.268,59 79.614,60 10.315,61 10.315,62 4.34,63 140.049,64 4.307,65 9}
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{0 CHEMBL185521,1 134.138,2 9.197,3 1,4 1,5 1,6 42.806,7 1,8 1,9 57.278,10 24.312,11 0.978,13 0.664,15 45.03,17 6.543,18 1.826,19 6.995,20 6.475,21 5.139,22 6.326,23 4.319,24 19.982,25 0.016,26 0.089,27 5.354,28 16.492,29 46.607,30 8.763,31 4.368,32 4.277,33 4.277,34 1.346,35 14.473,36 4.357,37 1.999,38 15.307,39 4.263,40 123.263,41 123.263,42 1,43 3.008,44 3.008,45 0.858,46 4,47 1.392,48 0.143,49 4.476,50 5.292,51 1.49,52 5.398,53 5.054,54 2.107,55 4.528,56 0.941,57 6.577,58 260.322,59 110.733,60 10.025,61 10.025,62 4.424,63 140.049,64 4.408,65 7.959}
{0 CHEMBL185587,1 134.138,2 9.007,3 1,4 1,5 1,6 42.806,7 1,8 1,9 57.278,10 23.984,11 1.022,13 0.656,15 45.547,17 6.525,18 1.444,19 7.147,20 6.531,21 5.13,22 6.286,23 4.307,24 21.286,25 -0.005,26 0.085,27 5.361,28 14.992,29 37.977,30 8.694,31 4.327,32 4.463,33 4.463,34 1.056,35 14.473,36 4.318,37 1.871,38 15.643,39 4.238,40 123.263,41 123.263,42 1,43 3.073,44 3.073,45 0.879,46 4,47 1.077,48 0.149,49 4.414,50 5.203,51 1.427,52 5.586,53 4.953,54 2.014,55 4.528,56 0.941,57 6.664,58 249.433,59 108.036,60 10.315,61 10.315,62 4.383,63 140.049,64 4.377,65 8.699}
{0 CHEMBL18614,1 105.471,2 8.957,3 1,4 1,5 1,6 42.806,7 1,8 1,9 57.278,10 21.797,11 1.189,13 0.706,15 45.479,17 6.357,18 1.556,19 7.266,20 5.72,21 4.523,22 5.997,23 4.415,24 22.257,25 0.083,26 0.065,27 4.687,28 12.346,29 21.063,30 5.874,31 3.929,32 4.491,33 4.491,34 0.016,35 60.427,36 3.972,37 1.261,38 9.931,39 3.829,40 123.263,41 123.263,42 1,43 2.504,44 2.504,45 0.779,47 0.173,48 0.203,49 4.054,50 4.876,52 5.551,53 4.541,54 1.101,55 4.123,56 0.595,57 4.264,58 164.928,59 79.357,60 7.247,61 7.247,62 3.923,63 123.263,64 3.983,65 7.495}
{0 CHEMBL19005,1 105.471,2 9.009,3 1,4 1,5 1,6 42.806,7 1,8 1,9 57.278,10 22.865,11 1.575,13 0.707,15 45.93,17 6.413,18 1.583,19 7.626,20 5.721,21 4.65,22 6.061,23 4.479,24 22.257,25 0.075,26 0.076,27 4.815,28 13.285,29 25.283,30 6.126,31 4.058,32 4.491,33 4.491,34 0.326,35 94.488,36 4.076,37 1.415,38 11.196,39 3.96,40 123.263,41 123.263,42 1,43 2.524,44 2.524,45 0.817,46 1,47 0.711,48 0.194,49 4.155,50 4.942,51 0.481,52 5.569,53 4.751,54 1.17,55 4.472,56 0.601,57 4.416,58 187.992,59 76.894,60 7.273,61 7.273,62 4.025,63 123.263,64 4.064,65 7.796}
{0 CHEMBL193084,1 85.286,9 36.022,10 9.722,11 0.548,12 2,13 0.546,14 1,15 35.719,16 1,17 6.293,18 1.312,19 8.125,20 5.631,21 5.029,22 6.138,23 4.161,24 24.945,25 -0.054,26 -0.049,27 5.265,28 14.574,29 29.536,30 6.685,31 4.323,32 4.772,33 4.772,34 1.146,35 36.022,36 4.354,37 1.957,38 12.496,39 4.23,40 86.435,41 86.435,42 4,43 2.565,44 2.565,45 0.974,46 5,47 1.268,48 0.066,49 4.423,50 5.227,51 1.64,52 5.841,53 4.566,54 1.934,55 3.24,56 0.812,57 4.863,58 225.347,59 84.549,60 7.268,61 7.268,62 4.355,63 103.22,64 4.387,65 7.041}
{0 CHEMBL193316,1 85.286,9 36.022,10 9.8,11 0.605,12 2,13 0.563,14 1,15 17.5,16 1,17 5.772,18 0.889,19 7.75,20 5.614,21 4.391,22 5.597,23 3.636,24 23.047,25 -0.112,26 -0.057,27 4.582,28 9.298,29 14.473,30 5.118,31 3.8,32 4.663,33 4.663,34 0.858,35 36.022,36 3.911,37 1.152,38 6.893,39 3.714,40 86.435,41 86.435,42 4,43 2.562,44 2.562,45 1.067,46 1,47 0.913,48 0.078,49 4,50 4.702,51 0.658,52 5.732,53 4.459,54 1.379,55 3.082,56 0.697,57 3.413,58 174.265,59 31.81,60 7.252,61 7.252,62 4.085,63 103.22,64 4.053,65 5.987}
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{0 CHEMBL205290,1 128.092,2 8.938,3 1,4 1,5 1,6 42.806,7 1,8 1,9 75.289,10 14.394,11 0.98,13 0.629,15 34.203,17 6.275,18 1.076,19 6.973,20 6.01,21 4.998,22 6.083,23 4.064,24 19.816,25 0.041,26 0.019,27 5.227,28 13.229,29 31.46,30 6.254,31 4.226,32 4.358,33 4.358,34 1,35 32.483,36 4.187,37 1.67,38 12.83,39 4.136,40 104.095,41 104.095,42 2,43 2.775,44 2.775,45 0.765,46 1,47 1,48 0.096,49 4.266,50 5.089,51 1.397,52 5.42,53 4.611,54 1.846,55 4.123,56 0.87,57 4.612,58 227.005,59 62.873,60 8.525,61 8.525,62 4.328,63 120.881,64 4.225,65 8.854}
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{0 CHEMBL206930,1 128.092,2 9.142,3 1,4 1,5 1,6 42.806,7 1,8 1,9 75.289,10 14.203,11 0.828,13 0.627,15 28.408,17 6.187,18 1.194,19 7.342,20 6.028,21 4.837,22 5.98,23 3.961,24 20.871,25 0.091,26 0.019,27 5.044,28 12.58,29 28.199,30 6.422,31 4.13,32 4.476,33 4.476,34 1,35 32.483,36 4.119,37 1.552,38 11.071,39 4.032,40 104.095,41 104.095,42 2,43 2.814,44 2.814,45 0.707,46 2,47 1.187,48 0.096,49 4.212,50 5.041,51 1.411,52 5.537,53 4.611,54 1.829,55 4.123,56 0.881,57 4.561,58 227.005,59 59.685,60 8.586,61 8.586,62 4.328,63 120.881,64 4.21,65 8.066}
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{0 CHEMBL207018,1 128.092,2 9.015,3 1,4 1,5 1,6 42.806,7 1,8 1,9 75.289,10 18.769,11 1.146,13 0.595,15 38.163,17 6.402,18 1.278,19 7.013,20 6.011,21 5.11,22 6.209,23 4.185,24 19.824,25 -0.001,26 -0.001,27 5.343,28 14.142,29 38.713,30 6.657,31 4.302,32 4.364,33 4.364,34 1.077,35 32.483,36 4.286,37 1.945,38 13.863,39 4.222,40 104.095,41 119.056,42 2,43 2.778,44 2.778,45 0.755,46 5,47 1.333,48 0.135,49 4.366,50 5.198,51 1.488,52 5.427,53 4.98,54 2.069,55 4.416,56 0.908,57 4.708,58 257.904,59 101.258,60 8.527,61 8.527,62 4.415,63 135.841,64 4.33,65 8.585}
{0 CHEMBL207075,1 175.473,2 9.158,3 1,4 1,5 1,6 42.806,7 1,8 1,9 75.289,10 15.525,11 0.879,13 0.638,15 41.539,17 6.424,18 1.437,19 7.046,20 6.129,21 5.203,22 6.245,23 4.262,24 19.826,25 0.016,26 0.019,27 5.44,28 16.724,29 39.326,30 7.285,31 4.448,32 4.367,33 4.367,34 1.275,35 32.483,36 4.397,37 2.141,38 15.79,39 4.343,40 104.095,41 104.095,42 2,43 2.819,44 2.819,45 0.801,46 3,47 1.333,48 0.095,49 4.492,50 5.299,51 2,52 5.43,53 4.746,54 2.154,55 4.243,56 0.887,57 5.215,58 263.423,59 70.501,60 9.007,61 9.007,62 4.47,63 120.881,64 4.417,65 8.721}
{0 CHEMBL207180,1 128.092,2 9.133,3 1,4 1,5 1,6 42.806,7 1,8 1,9 75.289,10 16.521,11 1.173,13 0.661,15 48.29,17 6.468,18 1.333,19 6.925,20 6.454,21 5.325,22 6.267,23 4.236,24 19.824,25 0.007,26 0.03,27 5.6,28 18.491,29 41.77,30 6.954,31 4.508,32 4.366,33 4.366,34 1.077,35 32.483,36 4.419,37 2.294,38 17.148,39 4.372,40 104.095,41 104.095,42 2,43 3.073,44 3.073,45 0.79,46 4,47 1.333,48 0.106,49 4.525,50 5.43,51 1.49,52 5.429,53 4.878,54 2.301,55 4.95,56 0.85,57 5.194,58 280.063,59 80.534,60 10.192,61 10.192,62 4.528,63 120.881,64 4.437,65 8.585}
{0 CHEMBL207305,1 128.092,2 8.907,3 1,4 1,5 1,6 53.806,7 1,8 1,9 75.289,10 16.378,11 0.98,13 0.65,15 32.192,17 6.318,18 1.076,19 6.973,20 6.01,21 4.945,22 6.05,23 4.084,24 19.816,25 -0.007,26 -0.002,27 5.17,28 12.284,29 30.089,30 5.893,31 4.169,32 4.356,33 4.356,34 1,35 32.483,36 4.16,37 1.565,38 12.237,39 4.097,40 115.095,41 115.095,42 2,43 2.775,44 2.775,45 0.842,46 3,47 1.2,48 0.131,49 4.224,50 5.042,51 1.393,52 5.43,53 4.852,54 1.73,55 4.123,56 0.887,57 4.146,58 230.751,59 62.4,60 8.525,61 8.525,62 4.302,63 131.881,64 4.202,65 9.456}
{0 CHEMBL207415,1 128.092,2 9.08,3 1,4 1,5 1,6 42.806,7 1,8 1,9 75.289,10 17.271,11 1.173,13 0.612,15 44.517,16 1,17 6.457,18 1.479,19 6.925,20 6.274,21 5.235,22 6.296,23 4.25,24 19.826,25 0.01,27 5.488,28 16.485,29 38.405,30 6.817,31 4.42,32 4.367,33 4.367,34 1.333,35 32.483,36 4.36,37 2.076,38 15.05,39 4.312,40 129.24,41 129.24,42 2,43 2.873,44 2.873,45 0.814,46 3,47 1.421,48 0.129,49 4.44,50 5.329,51 1.784,52 5.431,53 5.012,54 2.073,55 4.848,56 0.833,57 4.793,58 272.58,59 126.441,60 9.152,61 9.152,62 4.473,63 146.026,64 4.387,65 8.553}
{0 CHEMBL207468,1 128.092,2 9.026,3 1,4 1,5 1,6 42.806,7 1,8 1,9 75.289,10 14.568,11 1.077,13 0.64,15 37.935,17 6.343,18 1.25,19 6.925,20 6.011,21 5.103,22 6.158,23 4.155,24 19.824,25 0.03,26 0.019,27 5.34,28 14.07,29 37.665,30 6.703,31 4.304,32 4.364,33 4.364,34 1,35 32.483,36 4.27,37 1.835,38 13.854,39 4.21,40 104.095,41 104.095,42 2,43 2.778,44 2.778,45 0.786,46 4,47 1.077,48 0.096,49 4.369,50 5.185,51 1.486,52 5.426,53 4.938,54 1.982,55 4.301,56 0.88,57 4.681,58 252.176,59 78.63,60 8.527,61 8.527,62 4.411,63 120.881,64 4.32,65 8.658}
{0 CHEMBL207683,1 128.092,2 9.113,3 1,4 1,5 1,6 42.806,7 1,8 1,9 75.289,10 16.822,11 1.24,13 0.611,15 49.098,17 6.465,18 1.562,19 6.925,20 6.037,21 5.341,22 6.352,23 4.295,24 19.826,25 -0.017,26 0.013,27 5.596,28 16.867,29 45.481,30 7.099,31 4.477,32 4.367,33 4.367,34 1.333,35 32.483,36 4.394,37 2.149,38 17.531,39 4.373,40 129.24,41 129.24,42 2,43 2.8,44 2.8,45 0.863,46 3,47 1.421,48 0.102,49 4.472,50 5.327,51 1.984,52 5.43,53 5.045,54 2.211,55 4.95,56 0.846,57 5.046,58 283.309,59 138.426,60 8.618,61 8.618,62 4.515,63 146.026,64 4.426,65 8.658}
{0 CHEMBL207709,1 128.092,2 9.121,3 1,4 1,5 1,6 42.806,7 1,8 1,9 75.289,10 19.676,11 1.173,13 0.673,15 40.557,17 6.431,18 1.625,19 6.99,20 6.531,21 5.181,22 6.248,23 4.242,24 20.021,25 0.005,26 0.023,27 5.41,28 16.433,29 42.186,30 7.307,31 4.416,32 4.406,33 4.406,34 1.077,35 49.514,36 4.394,37 2.099,38 15.007,39 4.31,40 104.095,41 104.095,42 2,43 3.073,44 3.073,45 0.797,46 3,47 1.333,48 0.092,49 4.513,50 5.31,51 1.488,52 5.469,53 5.048,54 2.201,55 4.95,56 0.827,57 4.969,58 284.937,59 88.802,60 10.315,61 10.315,62 4.474,63 144.202,64 4.456,65 8.638}
{0 CHEMBL207726,1 128.092,2 9.087,3 1,4 1,5 1,6 42.806,7 1,8 1,9 75.289,10 17.121,11 1.173,13 0.613,15 44.57,17 6.461,18 1.479,19 6.925,20 6.274,21 5.242,22 6.296,23 4.247,24 19.826,25 0.009,26 0.009,27 5.493,28 17.026,29 39.392,30 6.969,31 4.439,32 4.367,33 4.367,34 1.333,35 32.483,36 4.376,37 2.13,38 15.685,39 4.325,40 129.24,41 129.24,42 2,43 2.873,44 2.873,45 0.841,46 3,47 1.421,48 0.11,49 4.467,50 5.349,51 1.816,52 5.431,53 5.02,54 2.128,55 4.848,56 0.83,57 4.904,58 274.314,59 129.207,60 9.152,61 9.152,62 4.477,63 146.026,64 4.402,65 8.921}
{0 CHEMBL207999,1 128.092,2 9.142,3 1,4 1,5 1,6 42.806,7 1,8 1,9 75.289,10 16.889,11 1.246,13 0.62,15 53.081,17 6.489,18 1.674,19 6.925,20 6.483,21 5.417,22 6.396,23 4.331,24 19.826,25 -0.037,26 0.017,27 5.68,28 17.557,29 48.942,30 7.198,31 4.527,32 4.367,33 4.367,34 1.333,35 32.483,36 4.426,37 2.236,38 18.993,39 4.42,40 129.24,41 129.24,42 2,43 3.073,44 3.073,45 0.873,46 3,47 1.421,48 0.094,49 4.5,50 5.356,51 1.984,52 5.431,53 4.945,54 2.34,55 5.244,56 0.813,57 5.133,58 291.482,59 143.411,60 10.249,61 10.249,62 4.552,63 146.026,64 4.467,65 8.721}
{0 CHEMBL208009,1 146.103,2 8.923,3 1,4 1,5 1,6 42.806,7 1,8 1,9 93.3,10 15.66,11 0.98,13 0.646,15 33.207,17 6.297,18 1.076,19 6.973,20 6.01,21 4.972,22 6.067,23 4.074,24 19.816,25 0.018,26 -0.006,27 5.203,28 12.546,29 30.785,30 6.004,31 4.194,32 4.357,33 4.357,34 1,35 50.494,36 4.169,37 1.628,38 12.231,39 4.111,40 104.095,41 104.095,42 2,43 2.775,44 2.775,45 0.8,46 3,47 1.077,48 0.121,49 4.241,50 5.066,51 1.395,52 5.419,53 4.893,54 1.807,55 4.123,56 0.881,57 4.289,58 235.358,59 62.13,60 8.525,61 8.525,62 4.325,63 120.881,64 4.211,65 8.721}
{0 CHEMBL208022,1 128.092,2 9.064,3 1,4 1,5 1,6 42.806,7 1,8 1,9 75.289,10 14.537,11 1.146,13 0.638,15 41.541,17 6.385,18 1.278,19 7.013,20 6.011,21 5.183,22 6.192,23 4.183,24 19.824,25 0.038,26 0.023,27 5.434,28 15.56,29 38.962,30 6.796,31 4.377,32 4.364,33 4.364,34 1.077,35 32.483,36 4.322,37 1.989,38 14.976,39 4.267,40 104.095,41 104.095,42 2,43 2.778,44 2.778,45 0.775,46 4,47 1.213,48 0.092,49 4.424,50 5.273,51 1.488,52 5.427,53 4.903,54 2.064,55 4.416,56 0.895,57 4.905,58 260.374,59 76.494,60 8.527,61 8.527,62 4.451,63 120.881,64 4.352,65 8.699}
{0 CHEMBL208038,1 128.092,2 9.365,3 1,4 1,5 1,6 42.806,7 1,8 1,9 75.289,10 18.538,11 1.163,13 0.637,15 48.147,17 6.389,18 1.792,19 7.293,20 6.483,21 5.312,22 6.465,23 4.267,24 20.9,25 -0.015,26 0.001,27 5.554,28 16.177,29 44.038,30 6.984,31 4.427,32 4.482,33 4.482,34 1.334,35 32.483,36 4.347,37 2.014,38 16.778,39 4.33,40 140.24,41 140.24,42 2,43 3.073,44 3.073,45 0.81,46 4,47 1.421,48 0.129,49 4.413,50 5.272,51 1.984,52 5.549,53 4.905,54 2.18,55 5.244,56 0.791,57 4.776,58 287.48,59 121.062,60 10.249,61 10.249,62 4.53,63 157.026,64 4.418,65 8.62}
{0 CHEMBL208039,1 146.103,2 9.121,3 1,4 1,5 1,6 42.806,7 1,8 1,9 93.3,10 15.483,11 0.828,13 0.644,15 27.372,17 6.178,18 1.194,19 7.342,20 6.028,21 4.809,22 5.98,23 3.963,24 20.871,25 0.071,26 -0.006,27 5.014,28 11.981,29 27.27,30 6.172,31 4.101,32 4.475,33 4.475,34 1.077,35 50.494,36 4.099,37 1.496,38 10.505,39 4.009,40 104.095,41 104.095,42 2,43 2.814,44 2.814,45 0.741,46 4,47 1.214,48 0.121,49 4.187,50 5.011,51 1.409,52 5.536,53 4.803,54 1.794,55 4.123,56 0.892,57 4.237,58 232.603,59 56.65,60 8.586,61 8.586,62 4.325,63 120.881,64 4.195,65 8.31}
{0 CHEMBL208051,1 133.899,2 9.236,3 1,4 1,5 1,6 42.806,7 1,8 1,9 75.289,10 27.998,11 0.964,13 0.644,15 35.802,17 6.296,18 1.715,19 7.294,20 6.531,21 5.004,22 6.435,23 4.251,24 20.964,25 -0.031,26 0.057,27 5.18,28 14.426,29 37.281,30 8.063,31 4.252,32 4.492,33 4.492,34 1.239,35 32.483,36 4.242,37 1.751,38 12.512,39 4.161,40 148.408,41 148.408,42 2,43 3.073,44 3.073,45 0.904,46 4,47 1.334,48 0.202,49 4.346,50 5.145,51 1.569,52 5.553,53 4.938,54 2.02,55 4.848,56 0.949,57 5.424,58 261.556,59 144.522,60 10.315,61 10.315,62 4.406,63 165.194,64 4.347,65 8.721}
{0 CHEMBL208052,1 128.092,2 9.086,3 1,4 1,5 1,6 53.806,7 1,8 1,9 75.289,10 16.792,11 0.789,13 0.64,15 23.245,17 6.092,18 1.111,19 7.342,20 6.028,21 4.682,22 5.928,23 3.909,24 20.871,25 0.065,26 -0.008,27 4.862,28 10.519,29 24.262,30 5.871,31 3.976,32 4.475,33 4.475,34 1.2,35 32.483,36 4.002,37 1.278,38 9.262,39 3.905,40 115.095,41 115.095,42 2,43 2.814,44 2.814,45 0.753,46 4,47 1.224,48 0.141,49 4.077,50 4.852,51 1.4,52 5.549,53 4.806,54 1.628,55 4.062,56 0.939,57 3.861,58 219.707,59 52.438,60 8.586,61 8.586,62 4.254,63 131.881,64 4.123,65 8.638}
{0 CHEMBL208172,1 134.138,2 9.114,3 1,4 1,5 1,6 42.806,7 1,8 1,9 75.289,10 27.209,11 1.354,13 0.633,15 49.072,17 6.549,18 1.5,19 6.925,20 6.531,21 5.321,22 6.375,23 4.362,24 19.824,25 -0.044,26 0.055,27 5.554,28 17.571,29 51.306,30 9.099,31 4.489,32 4.364,33 4.364,34 1.333,35 32.483,36 4.411,37 2.207,38 17.394,39 4.392,40 148.408,41 148.408,42 2,43 3.073,44 3.073,45 0.975,46 6,47 1.421,48 0.172,49 4.518,50 5.369,51 1.798,52 5.434,53 5.122,54 2.275,55 5.148,56 1.036,57 5.826,58 292.99,59 112.185,60 10.315,61 10.315,62 4.524,63 165.194,64 4.436,65 8.854}
{0 CHEMBL228320,1 123.191,9 54.032,10 10.238,11 0.496,13 0.568,14 1,15 26.054,16 1,17 6.153,18 1.108,19 6.305,20 6.056,21 4.856,22 6.02,23 4.113,24 17.726,25 -0.045,26 -0.069,27 5.056,28 11.515,29 25.913,30 5.701,31 4.192,32 4.104,33 4.104,34 1.312,35 54.032,36 4.154,37 1.576,38 10.93,39 4.127,40 86.435,41 86.435,42 3,43 2.827,44 2.827,45 0.947,46 1,47 1.333,48 0.082,49 4.199,50 4.93,51 1.83,52 5.167,53 4.576,54 1.574,55 3.742,56 0.787,57 3.962,58 210.48,59 74.407,60 8.697,61 8.697,62 4.277,63 103.22,64 4.171,65 8.046}
{0 CHEMBL229070,1 85.286,9 54.032,10 10.985,11 0.584,12 1,13 0.575,14 1,15 20.454,16 1,17 5.969,18 0.951,19 7.142,20 6.029,21 4.598,22 5.807,23 3.834,24 20.228,25 -0.091,26 -0.072,27 4.793,28 9.623,29 22.577,30 5.161,31 3.925,32 4.442,33 4.442,34 0.881,35 54.032,36 3.903,37 1.195,38 8.49,39 3.849,40 86.435,41 86.435,42 4,43 2.815,44 2.815,45 1.008,46 2,47 1,48 0.086,49 3.98,50 4.735,51 0.817,52 5.509,53 4.784,54 1.522,55 3.742,56 0.747,57 3.441,58 201.792,59 48.787,60 8.586,61 8.586,62 4.19,63 103.22,64 4.006,65 7.538}
{0 CHEMBL233629,1 128.092,2 9.04,3 1,4 1,5 1,6 42.806,7 1,8 1,9 75.289,10 18.523,11 1.056,13 0.64,15 32.046,17 6.186,18 1.358,19 6.306,20 6.026,21 4.95,22 6.179,23 4.048,24 17.337,25 0.024,26 0.022,27 5.178,28 12.972,29 28.169,30 6.014,31 4.231,32 4.077,33 4.077,34 1.116,35 49.514,36 4.182,37 1.683,38 11.732,39 4.129,40 93.096,41 93.096,42 2,43 2.79,44 2.79,45 0.778,46 3,47 1.383,48 0.096,49 4.27,50 5.019,51 1.209,52 5.118,53 5.013,54 1.766,55 3.937,56 0.887,57 4.425,58 233.912,59 77.076,60 8.588,61 8.588,62 4.286,63 133.202,64 4.216,65 8.367}
{0 CHEMBL233842,1 128.092,2 9.099,3 1,4 1,5 1,6 42.806,7 1,8 1,9 75.289,10 15.656,11 1.187,13 0.625,15 36.49,17 6.199,18 1.358,19 6.402,20 6.026,21 5.061,22 6.195,23 4.093,24 17.337,25 0.026,26 0.027,27 5.303,28 13.574,29 31.06,30 6.179,31 4.294,32 4.077,33 4.077,34 1.364,35 66.545,36 4.22,37 1.764,38 13.296,39 4.189,40 93.096,41 93.096,42 2,43 2.79,44 2.79,45 0.806,46 3,47 1.417,48 0.09,49 4.308,50 5.058,51 1.253,52 5.118,53 5.05,54 1.802,55 4.062,56 0.871,57 4.487,58 238.102,59 62.008,60 8.588,61 8.588,62 4.332,63 109.881,64 4.241,65 9}
{0 CHEMBL233843,1 133.899,2 9.145,3 1,4 1,5 1,6 42.806,7 1,8 1,9 75.289,10 26.656,11 1.332,13 0.627,15 44.465,17 6.528,18 1.636,19 7.15,20 6.466,21 5.212,22 6.547,23 4.366,24 19.923,25 -0.009,26 0.083,27 5.435,28 15.996,29 43.853,30 8.629,31 4.414,32 4.351,33 4.351,34 1.354,35 32.483,36 4.343,37 2.041,38 15.293,39 4.317,40 137.408,41 137.408,42 2,43 2.97,44 2.97,45 0.874,46 3,47 1.417,48 0.172,49 4.435,50 5.249,51 1.909,52 5.392,53 5.151,54 2.114,55 4.743,56 0.926,57 6.419,58 265.991,59 107.542,60 10.016,61 10.016,62 4.43,63 154.194,64 4.367,65 8.959}
{0 CHEMBL233844,1 128.092,2 9.03,3 1,4 1,5 1,6 42.806,7 1,8 1,9 75.289,10 17.625,11 1.072,13 0.605,15 33.844,17 6.332,18 1.469,19 6.233,20 6.034,21 4.996,22 6.338,23 4.144,24 17.347,25 0.018,26 -0.01,27 5.215,28 13.422,29 30.382,30 6.057,31 4.239,32 4.096,33 4.096,34 1.384,35 32.483,36 4.195,37 1.703,38 11.6,39 4.151,40 129.24,41 129.24,42 2,43 2.8,44 2.8,45 0.757,46 2,47 1.417,48 0.149,49 4.263,50 5.083,51 1.21,52 5.137,53 5.006,54 1.745,55 4.183,56 0.832,57 4.364,58 233.297,59 75.253,60 8.617,61 8.617,62 4.308,63 146.026,64 4.223,65 8.481}
{0 CHEMBL234032,1 128.092,2 8.918,3 1,4 1,5 1,6 53.806,7 1,8 1,9 75.289,10 15.035,11 1,13 0.634,15 34.664,17 6.292,18 1.132,19 6.973,20 6.01,21 5.003,22 6.102,23 4.089,24 19.846,25 -0.003,26 0.015,27 5.242,28 12.92,29 30.277,30 5.993,31 4.235,32 4.356,33 4.356,34 1,35 32.483,36 4.201,37 1.662,38 12.743,39 4.146,40 104.095,41 104.095,42 2,43 2.77,44 2.77,45 0.81,46 2,47 1.116,48 0.103,49 4.283,50 5.051,51 1.097,52 5.431,53 4.81,54 1.764,55 4,56 0.878,57 4.303,58 221.414,59 57.159,60 8.527,61 8.527,62 4.282,63 120.881,64 4.226,65 7.013}
{0 CHEMBL234033,1 128.092,2 8.863,3 1,4 1,5 1,6 53.806,7 1,8 1,9 75.289,10 15.748,11 0.878,13 0.638,15 26.652,17 6.025,18 0.976,19 6.222,20 6.058,21 4.796,22 5.904,23 3.903,24 17.342,25 0.023,26 0.004,27 5.016,28 11.337,29 25.692,30 5.358,31 4.098,32 4.077,33 4.077,34 1.078,35 32.483,36 4.048,37 1.437,38 10.591,39 3.999,40 104.095,41 104.095,42 2,43 2.802,44 2.802,45 0.799,46 2,47 1.2,48 0.12,49 4.12,50 4.883,51 1.031,52 5.138,53 4.822,54 1.533,55 3.606,56 0.886,57 3.873,58 200.467,59 52.349,60 8.743,61 8.743,62 4.183,63 120.881,64 4.075,65 8.699}
{0 CHEMBL234034,1 128.092,2 8.919,3 1,4 1,5 1,6 53.806,7 1,8 1,9 75.289,10 15.521,11 0.861,13 0.635,15 28.871,17 6.116,18 1.167,19 6.221,20 6.024,21 4.85,22 5.951,23 3.948,24 17.337,25 0.023,26 0.01,27 5.081,28 11.885,29 27.169,30 5.66,31 4.136,32 4.073,33 4.073,34 1,35 32.483,36 4.096,37 1.49,38 11.064,39 4.035,40 104.095,41 104.095,42 2,43 2.777,44 2.777,45 0.789,46 2,47 1.116,48 0.111,49 4.18,50 4.933,51 1.097,52 5.15,53 4.892,54 1.647,55 3.606,56 0.901,57 4.039,58 212.048,59 52.71,60 8.571,61 8.571,62 4.234,63 120.881,64 4.14,65 9}
{0 CHEMBL234199,1 128.092,2 9.183,3 1,4 1,5 1,6 42.806,7 1,8 1,9 75.289,10 15.792,11 1.083,13 0.649,15 42.433,17 6.285,18 1.685,19 6.23,20 6.415,21 5.196,22 6.285,23 4.151,24 17.402,25 0.023,26 0.04,27 5.447,28 17.159,29 39.263,30 6.398,31 4.434,32 4.164,33 4.164,34 1.116,35 32.483,36 4.329,37 2.141,38 13.982,39 4.292,40 93.096,41 93.096,42 2,43 3.019,44 3.019,45 0.761,46 3,47 1.393,48 0.11,49 4.438,50 5.313,51 1.214,52 5.205,53 4.803,54 2.112,55 4.528,56 0.842,57 4.967,58 250.812,59 95.366,60 9.987,61 9.987,62 4.435,63 109.881,64 4.335,65 8.796}
{0 CHEMBL234224,1 128.092,2 8.901,3 1,4 1,5 1,6 53.806,7 1,8 1,9 75.289,10 42.575,11 0.981,13 0.604,15 29.681,17 6.444,18 1.632,19 6.813,20 6.462,21 4.907,22 6.304,23 4.196,24 18.867,25 0.084,26 -0.026,27 5.114,28 12.205,29 29.513,30 5.823,31 4.123,32 4.237,33 4.237,34 1.094,35 32.483,36 4.151,37 2.073,38 11.328,39 4.109,40 104.095,41 148.976,42 2,43 2.976,44 2.976,45 0.533,46 2,47 1.384,48 0.275,49 4.171,50 4.995,51 1.271,52 5.313,53 4.892,54 1.928,55 4.359,56 0.784,57 4.037,58 222.179,59 139.692,60 9.99,61 9.99,62 4.249,63 165.761,64 4.181,65 8.658}
{0 CHEMBL234225,1 128.092,2 8.935,3 1,4 1,5 1,6 53.806,7 1,8 1,9 75.289,10 15.204,11 0.938,13 0.632,15 33.027,17 6.159,18 1.229,19 6.226,20 6.024,21 4.973,22 6.028,23 4.018,24 17.363,25 0.045,26 0.015,27 5.214,28 12.818,29 30.294,30 5.948,31 4.227,32 4.08,33 4.08,34 1,35 32.483,36 4.16,37 1.606,38 12.68,39 4.122,40 104.095,41 104.095,42 2,43 2.777,44 2.777,45 0.765,46 2,47 1.134,48 0.103,49 4.247,50 4.994,51 1.271,52 5.156,53 4.98,54 1.731,55 3.742,56 0.916,57 4.134,58 223.414,59 55.082,60 8.571,61 8.571,62 4.282,63 120.881,64 4.188,65 8.77}
{0 CHEMBL234226,1 128.092,2 8.985,3 1,4 1,5 1,6 64.805,7 1,8 1,9 75.289,10 15.976,11 0.73,13 0.629,15 38.682,17 6.257,18 1.417,19 6.375,20 6.075,21 5.156,22 6.181,23 4.227,24 17.474,25 0.033,26 -0.002,27 5.38,28 14.161,29 39.651,30 6.854,31 4.381,32 4.103,33 4.103,34 1.331,35 32.483,36 4.295,37 1.861,38 14.944,39 4.296,40 115.095,41 115.095,42 2,43 2.783,44 2.783,45 0.764,46 6,47 1.513,48 0.131,49 4.371,50 5.118,51 1.952,52 5.207,53 4.885,54 1.99,55 3.674,56 0.98,57 4.83,58 248.813,59 66.366,60 8.805,61 8.805,62 4.411,63 131.881,64 4.312,65 8.796}
{0 CHEMBL234415,1 128.092,2 8.947,3 1,4 1,5 1,6 53.806,7 1,8 1,9 75.289,10 15.566,11 0.963,13 0.641,15 36.287,17 6.2,18 1.403,19 6.245,20 6.024,21 5.059,22 6.096,23 4.087,24 17.423,25 0.038,26 0.008,27 5.307,28 12.766,29 32.475,30 5.977,31 4.27,32 4.095,33 4.095,34 1.047,35 32.483,36 4.195,37 1.689,38 13.35,39 4.175,40 104.095,41 104.095,42 2,43 2.779,44 2.779,45 0.779,46 2,47 1.294,48 0.112,49 4.274,50 5.022,51 1.271,52 5.171,53 4.881,54 1.783,55 4,56 0.906,57 4.105,58 230.716,59 56.899,60 8.572,61 8.572,62 4.324,63 120.881,64 4.223,65 8.921}
{0 CHEMBL234416,1 128.092,2 8.953,3 1,4 1,5 1,6 53.806,7 1,8 1,9 75.289,10 14.937,11 0.773,13 0.61,15 34.12,17 6.167,18 1.261,19 6.259,20 6.133,21 5.013,22 6.046,23 4.074,24 17.487,25 0.05,26 0.015,27 5.25,28 13.222,29 31.149,30 6.259,31 4.28,32 4.128,33 4.128,34 1.096,35 32.483,36 4.203,37 1.664,38 13.354,39 4.179,40 104.095,41 104.095,42 2,43 2.804,44 2.804,45 0.76,46 2,47 1.376,48 0.103,49 4.286,50 5.015,51 1.271,52 5.204,53 4.84,54 1.769,55 3.674,56 0.959,57 4.419,58 223.997,59 54.763,60 8.993,61 8.993,62 4.31,63 120.881,64 4.219,65 8.886}
{0 CHEMBL234417,1 118.616,2 8.939,3 1,4 1,5 1,6 53.806,7 1,8 1,9 75.289,10 15.262,11 0.887,13 0.639,15 33.897,17 6.191,18 1.361,19 6.455,20 6.024,21 4.991,22 6.036,23 4.024,24 18.566,25 0.035,26 0.015,27 5.238,28 13.355,29 30.175,30 6.229,31 4.253,32 4.19,33 4.19,34 1,35 32.483,36 4.199,37 1.662,38 12.891,39 4.141,40 104.095,41 104.095,42 2,43 2.778,44 2.778,45 0.779,46 2,47 1.211,48 0.103,49 4.299,50 5.031,51 1.269,52 5.266,53 4.908,54 1.73,55 3.674,56 0.868,57 4.221,58 222.321,59 55.25,60 8.571,61 8.571,62 4.282,63 120.881,64 4.234,65 8.921}
{0 CHEMBL234603,1 118.616,2 8.956,3 1,4 1,5 1,6 53.806,7 1,8 1,9 75.289,10 14.977,11 0.963,13 0.637,15 36.813,17 6.26,18 1.424,19 6.497,20 6.024,21 5.084,22 6.116,23 4.103,24 18.776,25 0.045,26 0.019,27 5.326,28 15.44,29 34.865,30 6.389,31 4.365,32 4.207,33 4.207,34 1.067,35 32.483,36 4.287,37 1.88,38 14.348,39 4.241,40 104.095,41 104.095,42 2,43 2.778,44 2.778,45 0.766,46 2,47 1.336,48 0.096,49 4.392,50 5.166,51 1.271,52 5.283,53 5.091,54 1.813,55 3.808,56 0.885,57 4.608,58 235.347,59 60.318,60 8.571,61 8.571,62 4.328,63 120.881,64 4.295,65 8.108}
{0 CHEMBL234604,1 118.616,2 8.96,3 1,4 1,5 1,6 53.806,7 1,8 1,9 75.289,10 14.54,11 0.773,13 0.607,15 34.825,17 6.198,18 1.219,19 6.521,20 6.024,21 5.03,22 6.056,23 4.094,24 18.927,25 0.052,26 0.015,27 5.271,28 13.932,29 31.591,30 6.754,31 4.314,32 4.231,33 4.231,34 1.158,35 32.483,36 4.24,37 1.737,38 13.605,39 4.207,40 104.095,41 104.095,42 2,43 2.779,44 2.779,45 0.728,46 2,47 1.357,48 0.103,49 4.328,50 5.063,51 1.647,52 5.308,53 4.974,54 1.847,55 3.674,56 0.918,57 4.994,58 227.659,59 55.419,60 8.571,61 8.571,62 4.31,63 120.881,64 4.253,65 9}
{0 CHEMBL234605,1 118.616,2 8.952,3 1,4 1,5 1,6 64.805,7 1,8 1,9 75.289,10 16.846,11 0.773,13 0.629,15 32.78,17 6.208,18 1.219,19 6.521,20 6.024,21 4.968,22 6.046,23 4.108,24 18.927,25 0.047,26 -0.007,27 5.196,28 12.803,29 29.147,30 6.399,31 4.238,32 4.227,33 4.227,34 1.397,35 32.483,36 4.202,37 1.621,38 12.301,39 4.159,40 115.095,41 115.095,42 2,43 2.779,44 2.779,45 0.745,46 4,47 1.457,48 0.14,49 4.27,50 5.016,51 1.614,52 5.304,53 4.996,54 1.736,55 3.674,56 0.939,57 4.599,58 223.705,59 56.886,60 8.571,61 8.571,62 4.282,63 131.881,64 4.228,65 8.585}
{0 CHEMBL235997,1 146.103,2 8.844,3 1,4 1,5 1,6 42.806,7 1,8 1,9 93.3,10 16.369,11 0.861,13 0.65,15 24.398,17 6.013,18 1.031,19 6.213,20 6.024,21 4.71,22 5.816,23 3.847,24 17.265,25 0.037,26 -0.019,27 4.931,28 10.601,29 24.119,30 5.418,31 4.005,32 4.057,33 4.057,34 1,35 50.494,36 3.984,37 1.32,38 9.579,39 3.91,40 104.095,41 104.095,42 2,43 2.784,44 2.784,45 0.802,46 3,47 1.312,48 0.139,49 4.05,50 4.847,51 1.199,52 5.125,53 4.885,54 1.58,55 3.742,56 0.889,57 3.818,58 214.107,59 53.089,60 8.57,61 8.57,62 4.23,63 120.881,64 4.05,65 8.201}
{0 CHEMBL236204,1 146.103,2 8.841,3 1,4 1,5 1,6 42.806,7 1,8 1,9 93.3,10 16.224,11 0.878,13 0.652,15 25.047,17 5.987,18 1.087,19 6.221,20 6.024,21 4.734,22 5.833,23 3.862,24 17.337,25 0.029,26 -0.027,27 4.965,28 9.956,29 24.012,30 5.128,31 4.017,32 4.054,33 4.054,34 1,35 50.494,36 3.962,37 1.294,38 9.713,39 3.925,40 104.095,41 104.095,42 2,43 2.779,44 2.779,45 0.824,46 2,47 1.138,48 0.149,49 4.007,50 4.765,51 1.03,52 5.128,53 4.791,54 1.495,55 3.606,56 0.845,57 3.596,58 200.08,59 50.051,60 8.572,61 8.572,62 4.179,63 120.881,64 3.997,65 8.456}
{0 CHEMBL240463,1 104.239,9 54.032,10 13.727,11 0.551,12 2,13 0.562,14 1,15 34.215,16 1,17 6.621,18 1.771,19 7.905,20 6.17,21 5.101,22 6.379,23 4.413,24 23.693,25 -0.105,26 -0.066,27 5.295,28 14.9,29 32.082,30 6.73,31 4.408,32 4.684,33 4.684,34 1.333,35 54.032,36 4.384,37 2.035,38 13.185,39 4.365,40 111.58,41 111.58,42 5,43 2.835,44 2.835,45 1.027,46 1,47 1.421,48 0.114,49 4.434,50 5.238,51 2,52 5.754,53 4.913,54 1.906,55 4.123,56 0.753,57 4.572,58 246.556,59 104.44,60 8.864,61 8.864,62 4.375,63 145.151,64 4.383,65 5.627}
{0 CHEMBL240464,1 85.286,9 54.032,10 13.825,11 0.741,12 2,13 0.555,14 1,15 23.861,16 1,17 6.255,18 1.271,19 7.604,20 6.029,21 4.738,22 5.951,23 4.007,24 22.663,25 -0.094,26 -0.066,27 4.918,28 11.525,29 24.327,30 5.918,31 4.063,32 4.598,33 4.598,34 1,35 54.032,36 4.07,37 1.406,38 9.648,39 3.988,40 111.58,41 111.58,42 5,43 2.816,44 2.816,45 1.02,46 2,47 1.235,48 0.107,49 4.147,50 4.925,51 1.461,52 5.668,53 4.857,54 1.677,55 3.937,56 0.744,57 3.898,58 222.93,59 83.786,60 8.587,61 8.587,62 4.271,63 128.365,64 4.181,65 7.796}
{0 CHEMBL240465,1 85.286,9 54.032,10 15.297,11 0.841,12 2,13 0.548,14 1,15 49.578,16 1,17 6.673,18 1.868,19 7.886,20 6.531,21 5.335,22 6.437,23 4.433,24 23.844,25 -0.048,26 -0.051,27 5.582,28 19.569,29 38.474,30 7.899,31 4.564,32 4.679,33 4.679,34 1.774,35 54.032,36 4.531,37 2.565,38 15.489,39 4.454,40 136.725,41 136.725,42 5,43 3.073,44 3.073,45 0.939,46 6,47 1.959,48 0.102,49 4.614,50 5.551,51 2.008,52 5.749,53 4.79,54 2.476,55 4.95,56 0.756,57 5.561,58 299.173,59 202.791,60 10.315,61 10.315,62 4.596,63 153.51,64 4.569,65 7.538}
{0 CHEMBL240648,1 85.286,6 11,9 54.032,10 12.92,11 0.481,12 2,13 0.535,14 1,15 46.391,16 1,17 6.674,18 1.799,19 8.006,20 6.142,21 5.304,22 6.38,23 4.441,24 23.833,25 -0.039,26 -0.046,27 5.523,28 19.782,29 43.331,30 9.167,31 4.57,32 4.705,33 4.705,34 1.421,35 54.032,36 4.559,37 2.558,38 16.399,39 4.469,40 122.579,41 122.579,42 5,43 2.846,44 2.846,45 0.885,46 6,47 1.825,48 0.081,49 4.665,50 5.55,51 2.066,52 5.78,53 5.046,54 2.563,55 4,56 0.891,57 6.747,58 308.863,59 140.654,60 9.044,61 9.044,62 4.611,63 139.365,64 4.603,65 7.509}
{0 CHEMBL240651,1 85.286,9 36.022,10 11.465,11 0.594,12 2,13 0.588,14 1,15 21.518,16 1,17 5.879,18 0.729,19 7.466,20 5.51,21 4.566,22 5.665,23 3.758,24 21.99,25 -0.064,26 -0.068,27 4.784,28 9.771,29 16.655,30 4.791,31 3.912,32 4.529,33 4.529,34 0.905,35 36.022,36 3.923,37 1.254,38 7.986,39 3.831,40 97.435,41 97.435,42 4,43 2.63,44 2.63,45 1.077,46 1,47 0.941,48 0.12,49 3.999,50 4.767,51 0.743,52 5.619,53 4.389,54 1.333,55 3.24,56 0.692,57 3.187,58 179.307,59 50.126,60 7.401,61 7.401,62 4.109,63 114.22,64 3.987,65 5.886}
{0 CHEMBL240652,1 85.286,9 54.032,10 17.242,11 0.953,12 2,13 0.557,14 1,15 53.844,16 1,17 6.676,18 2.035,19 7.886,20 6.484,21 5.438,22 6.509,23 4.481,24 23.833,25 -0.098,26 -0.049,27 5.676,28 18.565,29 51.321,30 8.077,31 4.591,32 4.705,33 4.705,34 1.636,35 54.032,36 4.532,37 2.488,38 18.864,39 4.505,40 147.724,41 147.724,42 5,43 3.073,44 3.073,45 0.944,46 4,47 1.958,48 0.113,49 4.586,50 5.475,51 2.102,52 5.775,53 5.015,54 2.457,55 5.05,56 0.748,57 5.82,58 314.29,59 244.782,60 10.251,61 10.251,62 4.613,63 164.51,64 4.579,65 7.328}
{0 CHEMBL240653,1 85.286,9 54.032,10 13.413,11 0.757,12 2,13 0.56,14 1,15 26.94,16 1,17 6.318,18 1.444,19 7.857,20 6.029,21 4.826,22 6.073,23 4.076,24 23.59,25 -0.096,26 -0.061,27 5.002,28 12.812,29 25.493,30 6.219,31 4.142,32 4.686,33 4.686,34 1.065,35 54.032,36 4.158,37 1.538,38 10.322,39 4.06,40 111.58,41 111.58,42 5,43 2.816,44 2.816,45 1.01,46 2,47 1.333,48 0.094,49 4.238,50 5.02,51 1.488,52 5.755,53 4.803,54 1.786,55 4.183,56 0.733,57 4.152,58 232.658,59 83.048,60 8.587,61 8.587,62 4.318,63 128.365,64 4.27,65 7.721}
{0 CHEMBL240654,1 103.297,9 72.043,10 14.62,11 0.523,12 2,13 0.541,14 1,15 35.266,16 1,17 6.555,18 1.493,19 8.006,20 6.029,21 5.053,22 6.235,23 4.288,24 23.823,25 -0.055,26 -0.071,27 5.259,28 14.482,29 31.555,30 7.269,31 4.325,32 4.704,33 4.704,34 1.333,35 72.043,36 4.338,37 1.997,38 12.479,39 4.256,40 111.58,41 111.58,42 5,43 2.816,44 2.816,45 0.928,46 4,47 1.421,48 0.102,49 4.404,50 5.27,51 1.984,52 5.774,53 4.92,54 2.071,55 3.873,56 0.83,57 5.254,58 258.614,59 126.981,60 8.588,61 8.588,62 4.426,63 128.365,64 4.392,65 7.26}
{0 CHEMBL240849,1 85.286,9 36.022,10 10.029,11 0.594,12 2,13 0.558,14 1,15 21.611,16 1,17 5.929,18 0.729,19 7.466,20 5.51,21 4.576,22 5.65,23 3.76,24 21.99,25 -0.112,26 -0.051,27 4.798,28 10.058,29 18.633,30 5.262,31 3.937,32 4.566,33 4.566,34 0.903,35 36.022,36 3.962,37 1.292,38 8.255,39 3.853,40 86.435,41 86.435,42 4,43 2.63,44 2.63,45 1.058,46 1,47 0.928,48 0.066,49 4.056,50 4.806,51 0.756,52 5.636,53 4.574,54 1.473,55 3.24,56 0.723,57 3.564,58 186.261,59 53.002,60 7.401,61 7.401,62 4.141,63 103.22,64 4.061,65 5.658}
{0 CHEMBL240850,1 85.286,9 36.022,10 9.965,11 0.584,12 2,13 0.555,14 1,15 23.917,16 1,17 5.871,18 0.979,19 7.457,20 5.498,21 4.692,22 5.825,23 3.817,24 21.915,25 -0.088,26 -0.045,27 4.899,28 10.539,29 22.668,30 5.618,31 3.997,32 4.556,33 4.556,34 0.909,35 36.022,36 3.972,37 1.297,38 9.079,39 3.908,40 86.435,41 86.435,42 4,43 2.651,44 2.651,45 1.029,46 1,47 0.984,48 0.054,49 4.087,50 4.799,51 0.823,52 5.626,53 4.68,54 1.562,55 3.391,56 0.747,57 3.666,58 197.931,59 47.105,60 7.4,61 7.4,62 4.194,63 103.22,64 4.089,65 4.31}
{0 CHEMBL240851,1 104.239,9 36.022,10 9.906,11 0.575,12 2,13 0.564,14 1,15 21.091,16 1,17 5.803,18 0.757,19 7.457,20 5.497,21 4.626,22 5.73,23 3.747,24 21.913,25 -0.099,26 -0.045,27 4.824,28 10.515,29 23.334,30 5.497,31 3.979,32 4.555,33 4.555,34 0.911,35 36.022,36 3.949,37 1.279,38 9.133,39 3.878,40 86.435,41 86.435,42 4,43 2.656,44 2.656,45 1.059,46 1,47 1,48 0.054,49 4.064,50 4.786,51 0.981,52 5.624,53 4.762,54 1.555,55 3.536,56 0.754,57 3.583,58 207.418,59 52.143,60 7.4,61 7.4,62 4.209,63 103.22,64 4.088,65 4.959}
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{0 CHEMBL252481,1 118.616,2 9.075,3 1,4 1,5 1,6 42.806,7 1,8 1,9 75.289,10 18.893,11 1.151,13 0.657,15 42.622,17 6.336,18 1.792,19 7.087,20 6.455,21 5.222,22 6.349,23 4.224,24 20.521,25 0.035,26 0.026,27 5.464,28 15.927,29 38.352,30 6.356,31 4.452,32 4.419,33 4.419,34 1.252,35 49.514,36 4.329,37 2.062,38 15.899,39 4.339,40 93.096,41 93.096,42 2,43 2.897,44 2.897,45 0.744,46 4,47 1.383,48 0.091,49 4.421,50 5.22,51 1.691,52 5.473,53 4.904,54 2.039,55 4.637,56 0.839,57 4.642,58 259.465,59 89.224,60 9.879,61 9.879,62 4.401,63 133.202,64 4.33,65 8.638}
{0 CHEMBL252677,1 118.616,2 9.196,3 1,4 1,5 1,6 53.806,7 1,8 1,9 75.289,10 14.464,11 0.743,13 0.602,15 40.315,17 6.323,18 1.459,19 6.969,20 6.353,21 5.157,22 6.256,23 4.243,24 20.442,25 0.04,26 0.014,27 5.386,28 14.642,29 35.702,30 7.513,31 4.382,32 4.424,33 4.424,34 1.311,35 32.483,36 4.302,37 1.939,38 14.473,39 4.293,40 104.095,41 104.095,42 2,43 2.864,44 2.864,45 0.761,46 2,47 1.364,48 0.103,49 4.389,50 5.179,51 1.74,52 5.48,53 4.776,54 2.017,55 4.062,56 0.914,57 5.783,58 241.234,59 76.886,60 9.571,61 9.571,62 4.406,63 120.881,64 4.32,65 8.886}
{0 CHEMBL252876,1 118.616,2 9.184,3 1,4 1,5 1,6 53.806,7 1,8 1,9 75.289,10 21.294,11 0.95,13 0.608,15 44.262,17 6.48,18 1.823,19 7.001,20 6.455,21 5.235,22 6.405,23 4.336,24 20.929,25 -0.027,26 -0.001,27 5.464,28 15.516,29 39.463,30 7.361,31 4.414,32 4.424,33 4.424,34 1.302,35 32.483,36 4.341,37 2.22,38 15.483,39 4.341,40 104.095,41 119.056,42 2,43 2.901,44 2.901,45 1.012,46 2,47 1.364,48 0.135,49 4.414,50 5.245,51 1.688,52 5.48,53 4.939,54 2.313,55 4.69,56 0.807,57 5.642,58 257.989,59 101.81,60 9.879,61 9.879,62 4.427,63 135.841,64 4.354,65 9}
{0 CHEMBL252891,1 128.092,2 9.175,3 1,4 1,5 1,6 42.806,7 1,8 1,9 75.289,10 15.692,11 0.978,13 0.663,15 38.914,17 6.314,18 1.576,19 6.802,20 6.456,21 5.131,22 6.265,23 4.16,24 18.788,25 0.021,26 0.023,27 5.361,28 15.397,29 40.142,30 6.766,31 4.358,32 4.291,33 4.291,34 1.333,35 32.483,36 4.313,37 1.979,38 14.088,39 4.244,40 104.095,41 104.095,42 2,43 2.977,44 2.977,45 0.783,46 3,47 1.421,48 0.092,49 4.432,50 5.271,51 1.487,52 5.354,53 4.921,54 2.117,55 4.528,56 0.838,57 4.734,58 263.129,59 123.987,60 9.964,61 9.964,62 4.451,63 120.881,64 4.378,65 8.699}
{0 CHEMBL252892,1 128.092,2 9.185,3 1,4 1,5 1,6 42.806,7 1,8 1,9 75.289,10 15.356,11 1.162,13 0.644,15 44.558,17 6.319,18 1.424,19 6.213,20 6.024,21 5.247,22 6.263,23 4.208,24 17.265,25 0.044,26 0.018,27 5.5,28 15.331,29 42.219,30 6.765,31 4.39,32 4.057,33 4.057,34 1.333,35 32.483,36 4.299,37 1.979,38 15.229,39 4.283,40 104.095,41 104.095,42 2,43 2.788,44 2.788,45 0.781,46 5,47 1.421,48 0.095,49 4.39,50 5.246,51 1.577,52 5.121,53 4.964,54 2.079,55 4.416,56 0.929,57 4.737,58 267.134,59 89.406,60 8.572,61 8.572,62 4.487,63 120.881,64 4.341,65 8.699}
{0 CHEMBL252893,1 128.092,2 8.908,3 1,4 1,5 1,6 53.806,7 1,8 1,9 75.289,10 16.898,11 0.844,13 0.651,15 26.28,17 6.147,18 1.111,19 6.213,20 6.024,21 4.782,22 5.892,23 3.943,24 17.265,25 0.018,26 -0.008,27 4.995,28 11.261,29 26.775,30 5.561,31 4.062,32 4.057,33 4.057,34 1,35 32.483,36 4.05,37 1.395,38 10.562,39 3.98,40 115.095,41 115.095,42 2,43 2.782,44 2.782,45 0.824,46 3,47 1.333,48 0.141,49 4.115,50 4.922,51 1.268,52 5.134,53 4.933,54 1.614,55 3.742,56 0.911,57 3.882,58 221.31,59 58.569,60 8.569,61 8.569,62 4.254,63 131.881,64 4.114,65 9.412}
{0 CHEMBL253075,1 118.616,2 8.93,3 1,4 1,5 1,6 53.806,7 1,8 1,9 75.289,10 21.368,11 0.998,13 0.618,15 36.597,17 6.343,18 1.601,19 7.002,20 6.455,21 5.062,22 6.198,23 4.166,24 20.521,25 -0.033,26 -0.011,27 5.299,28 13.592,29 34.196,30 5.863,31 4.277,32 4.388,33 4.388,34 1,35 32.483,36 4.202,37 1.926,38 13.668,39 4.2,40 104.095,41 119.056,42 2,43 2.895,44 2.895,45 1.051,46 3,47 1.302,48 0.157,49 4.263,50 5.083,51 1.27,52 5.464,53 4.915,54 2.015,55 4.359,56 0.83,57 4.137,58 234.413,59 77.028,60 9.879,61 9.879,62 4.315,63 135.841,64 4.212,65 8.658}
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{0 CHEMBL253275,1 118.616,2 8.883,3 1,4 1,5 1,6 53.806,7 1,8 1,9 75.289,10 44.033,11 0.998,13 0.605,15 29.963,17 6.465,18 1.601,19 7.002,20 6.455,21 4.867,22 6.268,23 4.215,24 20.521,25 0.087,26 -0.041,27 5.083,28 10.989,29 26.011,30 5.585,31 4.042,32 4.333,33 4.333,34 1,35 32.483,36 4.087,37 2.053,38 10.527,39 4.059,40 104.095,41 148.976,42 2,43 2.895,44 2.895,45 0.535,46 3,47 1.322,48 0.315,49 4.078,50 4.935,51 1.27,52 5.41,53 4.889,54 1.832,55 4.359,56 0.78,57 3.9,58 218.79,59 126.067,60 9.879,61 9.879,62 4.229,63 165.761,64 4.132,65 8.854}
{0 CHEMBL253276,1 118.616,2 8.791,3 1,4 1,5 1,6 53.806,7 1,8 1,9 75.289,10 45.938,11 1.015,13 0.611,15 27.368,17 6.352,18 1.521,19 7.001,20 6.455,21 4.784,22 6.219,23 4.144,24 20.521,25 0.086,26 -0.048,27 4.996,28 10.216,29 22.155,30 5.309,31 3.96,32 4.333,33 4.333,34 1,35 32.483,36 4.009,37 1.947,38 9.523,39 3.978,40 104.095,41 148.976,42 2,43 2.896,44 2.896,45 0.548,46 3,47 1.322,48 0.334,49 3.986,50 4.831,51 1.195,52 5.4,53 4.795,54 1.719,55 4.359,56 0.768,57 3.686,58 206.539,59 126.328,60 9.879,61 9.879,62 4.178,63 165.761,64 4.058,65 9}
{0 CHEMBL253909,1 128.092,2 8.963,3 1,4 1,5 1,6 42.806,7 1,8 1,9 75.289,10 14.94,11 0.844,13 0.628,15 28.08,17 6.147,18 1.111,19 6.213,20 6.024,21 4.827,22 5.923,23 3.935,24 17.265,25 0.063,26 0.015,27 5.047,28 11.986,29 27.196,30 5.97,31 4.108,32 4.057,33 4.057,34 1,35 32.483,36 4.083,37 1.473,38 11.113,39 4.012,40 104.095,41 104.095,42 2,43 2.782,44 2.782,45 0.748,46 1,47 1.333,48 0.103,49 4.159,50 4.971,51 1.278,52 5.118,53 4.742,54 1.732,55 3.742,56 0.891,57 4.33,58 219.414,59 53.893,60 8.569,61 8.569,62 4.282,63 120.881,64 4.149,65 8.699}
{0 CHEMBL254107,1 128.092,2 8.871,3 1,4 1,5 1,6 42.806,7 1,8 1,9 75.289,10 15.274,11 0.861,13 0.631,15 24.948,17 6.038,18 1.031,19 6.213,20 6.024,21 4.729,22 5.813,23 3.846,24 17.265,25 0.053,26 0.01,27 4.95,28 11.199,29 25.003,30 5.72,31 4.037,32 4.057,33 4.057,34 1,35 32.483,36 4.009,37 1.352,38 10.227,39 3.934,40 104.095,41 104.095,42 2,43 2.784,44 2.784,45 0.773,46 1,47 1.115,48 0.111,49 4.08,50 4.877,51 1.205,52 5.122,53 4.793,54 1.618,55 3.742,56 0.875,57 4.159,58 211.293,59 52.722,60 8.57,61 8.57,62 4.234,63 120.881,64 4.072,65 7.523}
{0 CHEMBL254108,1 128.092,2 8.963,3 1,4 1,5 1,6 42.806,7 1,8 1,9 75.289,10 14.94,11 0.844,13 0.628,15 28.08,17 6.147,18 1.111,19 6.213,20 6.024,21 4.827,22 5.923,23 3.935,24 17.265,25 0.063,26 0.015,27 5.047,28 11.986,29 27.196,30 5.97,31 4.108,32 4.057,33 4.057,34 1,35 32.483,36 4.083,37 1.473,38 11.113,39 4.012,40 104.095,41 104.095,42 2,43 2.782,44 2.782,45 0.748,46 1,47 1.333,48 0.103,49 4.159,50 4.971,51 1.278,52 5.118,53 4.742,54 1.732,55 3.742,56 0.891,57 4.33,58 219.414,59 53.893,60 8.569,61 8.569,62 4.282,63 120.881,64 4.149,65 8.699}
{0 CHEMBL254306,1 128.092,2 8.871,3 1,4 1,5 1,6 42.806,7 1,8 1,9 75.289,10 15.274,11 0.861,13 0.631,15 24.948,17 6.038,18 1.031,19 6.213,20 6.024,21 4.729,22 5.813,23 3.846,24 17.265,25 0.053,26 0.01,27 4.95,28 11.199,29 25.003,30 5.72,31 4.037,32 4.057,33 4.057,34 1,35 32.483,36 4.009,37 1.352,38 10.227,39 3.934,40 104.095,41 104.095,42 2,43 2.784,44 2.784,45 0.773,46 1,47 1.115,48 0.111,49 4.08,50 4.877,51 1.205,52 5.122,53 4.793,54 1.618,55 3.742,56 0.875,57 4.159,58 211.293,59 52.722,60 8.57,61 8.57,62 4.234,63 120.881,64 4.072,65 6.699}
{0 CHEMBL254307,1 128.092,2 8.746,3 1,4 1,5 1,6 42.806,7 1,8 1,9 75.289,10 15.512,11 0.878,13 0.635,15 22.716,17 5.941,18 0.972,19 6.213,20 6.024,21 4.642,22 5.754,23 3.787,24 17.265,25 0.035,26 0.004,27 4.86,28 10.331,29 22.324,30 5.479,31 3.961,32 4.061,33 4.061,34 0.882,35 32.483,36 3.931,37 1.25,38 9.287,39 3.86,40 104.095,41 104.095,42 2,43 2.787,44 2.787,45 0.832,46 1,47 1,48 0.12,49 4.007,50 4.785,51 1.068,52 5.121,53 4.798,54 1.451,55 3.742,56 0.876,57 3.532,58 202.467,59 50.348,60 8.572,61 8.572,62 4.183,63 120.881,64 3.997,65 9}
{0 CHEMBL254722,1 136.626,2 8.856,3 1,4 1,5 1,6 42.806,7 1,8 1,9 93.3,10 15.277,11 0.975,13 0.632,15 28.673,17 5.97,18 1.126,19 6.437,20 6.024,21 4.78,22 5.879,23 3.953,24 18.085,25 0.068,26 -0.022,27 5.012,28 11.638,29 25.645,30 6.013,31 4.103,32 4.127,33 4.127,34 1.045,35 50.494,36 4.022,37 1.429,38 10.722,39 3.977,40 93.096,41 93.096,42 2,43 2.779,44 2.779,45 0.755,46 3,47 1.313,48 0.137,49 4.125,50 4.817,51 1.19,52 5.181,53 4.883,54 1.591,55 3.742,56 1.021,57 4.32,58 208.771,59 47.307,60 8.571,61 8.571,62 4.202,63 109.881,64 4.054,65 8.796}
{0 CHEMBL255160,1 118.187,2 8.883,3 1,4 1,5 1,6 53.806,7 1,8 1,9 75.289,10 44.2,11 0.998,13 0.604,15 29.833,17 6.466,18 1.601,19 7.002,20 6.455,21 4.865,22 6.263,23 4.216,24 20.521,25 0.072,26 -0.041,27 5.08,28 10.815,29 26.037,30 5.605,31 4.037,32 4.344,33 4.344,34 1,35 32.483,36 4.084,37 2.052,38 10.489,39 4.056,40 104.095,41 148.976,42 2,43 2.895,44 2.895,45 0.55,46 2,47 1.322,48 0.315,49 4.074,50 4.937,51 1.27,52 5.42,53 5.007,54 1.838,55 4.359,56 0.773,57 3.914,58 223.138,59 124.989,60 9.879,61 9.879,62 4.229,63 165.761,64 4.132,65 8.824}
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{0 CHEMBL256245,1 175.473,2 9.229,3 1,4 1,5 1,6 42.806,7 1,8 1,9 75.289,10 15.852,11 0.756,13 0.639,15 37.651,17 6.29,18 1.334,19 6.333,20 6.027,21 5.121,22 6.23,23 4.2,24 17.265,25 0.035,26 0.014,27 5.345,28 15.231,29 36.016,30 6.849,31 4.372,32 4.074,33 4.074,34 1.384,35 32.483,36 4.287,37 1.951,38 14.252,39 4.273,40 104.095,41 104.095,42 2,43 2.798,44 2.798,45 0.797,46 4,47 1.421,48 0.103,49 4.367,50 5.191,51 2,52 5.141,53 4.798,54 1.998,55 4,56 0.918,57 4.98,58 251.236,59 76.893,60 8.589,61 8.589,62 4.43,63 120.881,64 4.306,65 8.796}
{0 CHEMBL256598,1 128.092,2 9.107,3 1,4 1,5 1,6 42.806,7 1,8 1,9 75.289,10 19.282,11 1.191,13 0.632,15 40.455,17 6.403,18 1.414,19 6.234,20 6.036,21 5.15,22 6.376,23 4.22,24 17.324,25 -0.019,26 -0.013,27 5.386,28 14.054,29 35.854,30 6.119,31 4.302,32 4.097,33 4.097,34 1.384,35 32.483,36 4.233,37 1.775,38 14.057,39 4.221,40 140.24,41 140.24,42 2,43 2.808,44 2.808,45 0.834,46 3,47 1.421,48 0.161,49 4.274,50 5.146,51 1.884,52 5.165,53 5.069,54 1.856,55 4.637,56 0.824,57 4.354,58 261.556,59 84.891,60 8.626,61 8.626,62 4.413,63 157.026,64 4.263,65 8.824}
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{0 CHEMBL256681,1 133.899,2 8.993,3 1,4 1,5 1,6 42.806,7 1,8 1,9 75.289,10 28.36,11 0.993,13 0.651,15 32.867,17 6.426,18 1.5,19 6.82,20 6.449,21 4.947,22 6.429,23 4.252,24 19.048,25 -0.069,26 0.046,27 5.139,28 12.879,29 32.152,30 7.196,31 4.177,32 4.308,33 4.308,34 1.333,35 32.483,36 4.163,37 1.61,38 11.822,39 4.108,40 148.408,41 148.408,42 2,43 2.953,44 2.953,45 0.968,46 3,47 1.385,48 0.218,49 4.235,50 5.047,51 1.482,52 5.376,53 5.012,54 1.807,55 4.528,56 0.96,57 5.026,58 243.413,59 96.236,60 9.92,61 9.92,62 4.319,63 165.194,64 4.227,65 8.796}
{0 CHEMBL256805,1 128.092,2 9.019,3 1,4 1,5 1,6 42.806,7 1,8 1,9 75.289,10 18.984,11 1.055,13 0.62,15 31.146,17 6.357,18 1.414,19 6.233,20 6.034,21 4.937,22 6.297,23 4.139,24 17.317,25 0.011,26 -0.026,27 5.141,28 12.765,29 29.632,30 5.957,31 4.173,32 4.095,33 4.095,34 1.384,35 32.483,36 4.154,37 1.601,38 11.093,39 4.102,40 140.24,41 140.24,42 2,43 2.805,44 2.805,45 0.79,46 3,47 1.421,48 0.187,49 4.203,50 5.074,51 1.483,52 5.163,53 5.045,54 1.709,55 4.301,56 0.845,57 4.206,58 240.658,59 80.463,60 8.616,61 8.616,62 4.327,63 157.026,64 4.199,65 9}
{0 CHEMBL257531,1 128.092,2 9.083,3 1,4 1,5 1,6 42.806,7 1,8 1,9 75.289,10 15.616,11 0.981,13 0.647,15 34.026,17 6.253,18 1.334,19 6.227,20 6.03,21 4.998,22 6.162,23 4.081,24 17.29,25 0.036,26 0.014,27 5.219,28 12.896,29 33.711,30 6.472,31 4.213,32 4.102,33 4.102,34 1.211,35 32.483,36 4.188,37 1.691,38 12.018,39 4.12,40 104.095,41 104.095,42 2,43 2.803,44 2.803,45 0.789,46 1,47 1.333,48 0.104,49 4.285,50 5.1,51 1.483,52 5.167,53 4.925,54 1.862,55 4.183,56 0.875,57 4.594,58 241.883,59 94.901,60 8.602,61 8.602,62 4.368,63 120.881,64 4.25,65 9}
{0 CHEMBL257532,1 170.775,2 18.713,3 2,4 2,5 2,6 85.489,7 1,8 1,9 117.972,10 22.443,11 0.887,13 0.725,15 26.263,17 6.232,18 1.167,19 6.213,20 6.026,21 4.776,22 5.925,23 3.947,24 17.265,25 -0.024,26 -0.034,27 4.989,28 11.322,29 25.861,30 5.742,31 4.056,32 4.069,33 4.069,34 1,35 32.483,36 4.042,37 1.385,38 10.43,39 3.972,40 146.779,41 146.779,42 2,43 2.793,44 2.793,45 0.903,46 1,47 1.333,48 0.159,49 4.099,50 4.921,51 1.213,52 5.134,53 4.968,54 1.644,55 3.808,56 0.869,57 4.173,58 224.397,59 63.475,60 8.582,61 8.582,62 4.255,63 163.564,64 4.103,65 8.337}
{0 CHEMBL258055,1 118.616,2 8.903,3 1,4 1,5 1,6 53.806,7 1,8 1,9 75.289,10 15.861,11 0.878,13 0.637,15 28.06,17 6.089,18 1.205,19 6.408,20 6.024,21 4.797,22 5.889,23 3.895,24 17.863,25 0.025,26 -0.003,27 5.032,28 10.998,29 24.433,30 5.617,31 4.056,32 4.184,33 4.184,34 1,35 32.483,36 4.022,37 1.371,38 10.505,39 3.967,40 113.603,41 113.603,42 2,43 2.777,44 2.777,45 0.8,46 2,47 1.022,48 0.131,49 4.097,50 4.871,51 1.038,52 5.26,53 4.889,54 1.514,55 3.606,56 0.883,57 3.923,58 206.658,59 47.99,60 8.571,61 8.571,62 4.199,63 113.603,64 4.09,65 8.796}
{0 CHEMBL264119,1 128.092,2 9.298,3 1,4 1,5 1,6 42.806,7 1,8 1,9 75.289,10 14.328,11 1.002,13 0.636,15 36.605,17 6.287,18 1.451,19 7.381,20 6.028,21 5.063,22 6.159,23 4.105,24 20.885,25 0.087,26 0.023,27 5.292,28 15.173,29 36.092,30 6.964,31 4.303,32 4.48,33 4.48,34 1.145,35 32.483,36 4.265,37 1.85,38 12.996,39 4.185,40 104.095,41 104.095,42 2,43 2.814,44 2.814,45 0.718,46 5,47 1.293,48 0.092,49 4.382,50 5.227,51 1.579,52 5.542,53 4.811,54 2.053,55 4.416,56 0.905,57 4.853,58 257.129,59 73.829,60 8.586,61 8.586,62 4.451,63 120.881,64 4.339,65 7.959}
{0 CHEMBL270606,1 128.092,2 9.153,3 1,4 1,5 1,6 42.806,7 1,8 1,9 75.289,10 17.605,11 1.074,13 0.625,15 39.213,17 6.42,18 1.74,19 6.87,20 6.509,21 5.133,22 6.386,23 4.211,24 19.462,25 0.016,26 0.005,27 5.363,28 16.305,29 38.772,30 6.453,31 4.371,32 4.363,33 4.363,34 1.384,35 32.483,36 4.298,37 2.01,38 13.253,39 4.258,40 129.24,41 129.24,42 2,43 3.038,44 3.038,45 0.838,46 3,47 1.421,48 0.119,49 4.379,50 5.293,51 1.732,52 5.431,53 4.883,54 2.027,55 4.848,56 0.792,57 4.568,58 262.481,59 111.586,60 10.181,61 10.181,62 4.437,63 146.026,64 4.327,65 8.569}
{0 CHEMBL270800,1 137.568,2 9.049,3 1,4 1,5 1,6 42.806,7 1,8 1,9 75.289,10 17.562,11 1.037,13 0.667,15 31.95,17 6.216,18 1.302,19 6.298,20 6.026,21 4.947,22 6.128,23 4.05,24 17.265,25 0.037,26 0.009,27 5.167,28 13.002,29 30.387,30 5.987,31 4.199,32 4.069,33 4.069,34 1.333,35 32.483,36 4.161,37 1.661,38 11.611,39 4.103,40 104.095,41 104.095,42 2,43 2.795,44 2.795,45 0.8,46 4,47 1.343,48 0.112,49 4.241,50 5.07,51 1.483,52 5.137,53 5.095,54 1.783,55 4.062,56 0.905,57 4.341,58 243.506,59 82.986,60 8.586,61 8.586,62 4.337,63 136.648,64 4.204,65 9.027}
{0 CHEMBL270817,1 118.187,2 8.954,3 1,4 1,5 1,6 53.806,7 1,8 1,9 75.289,10 15.992,11 0.998,13 0.648,15 39.397,17 6.278,18 1.601,19 7.002,20 6.455,21 5.148,22 6.156,23 4.143,24 20.521,25 0.03,26 0.052,27 5.393,28 14.602,29 37.003,30 6.069,31 4.369,32 4.439,33 4.439,34 1,35 32.483,36 4.245,37 1.88,38 15.015,39 4.258,40 104.095,41 104.095,42 2,43 2.895,44 2.895,45 0.76,46 2,47 1.257,48 0.127,49 4.328,50 5.153,51 1.27,52 5.515,53 4.883,54 1.9,55 4.359,56 0.845,57 4.309,58 239.452,59 63.382,60 9.879,61 9.879,62 4.357,63 120.758,64 4.268,65 8.553}
{0 CHEMBL270819,1 128.092,2 9.102,3 1,4 1,5 1,6 42.806,7 1,8 1,9 75.289,10 17.724,11 1.066,13 0.616,15 36.215,17 6.378,18 1.549,19 6.258,20 6.179,21 5.061,22 6.336,23 4.17,24 17.383,25 0.016,26 0.001,27 5.285,28 14.863,29 35.469,30 6.33,31 4.299,32 4.117,33 4.117,34 1.384,35 32.483,36 4.245,37 1.855,38 12.487,39 4.198,40 129.24,41 129.24,42 2,43 2.822,44 2.822,45 0.853,46 3,47 1.421,48 0.128,49 4.322,50 5.207,51 1.628,52 5.184,53 4.972,54 1.902,55 4.528,56 0.83,57 4.473,58 252.058,59 102.499,60 8.834,61 8.834,62 4.396,63 146.026,64 4.274,65 8.678}
{0 CHEMBL271234,1 128.092,2 9.149,3 1,4 1,5 1,6 42.806,7 1,8 1,9 75.289,10 14.733,11 0.797,13 0.619,15 35.234,17 6.229,18 1.233,19 6.244,20 6.069,21 5.034,22 6.166,23 4.115,24 17.374,25 0.062,26 0.014,27 5.255,28 13.767,29 34.077,30 7.143,31 4.261,32 4.108,33 4.108,34 1.333,35 32.483,36 4.223,37 1.788,38 12.35,39 4.164,40 104.095,41 104.095,42 2,43 2.816,44 2.816,45 0.758,46 3,47 1.385,48 0.103,49 4.317,50 5.141,51 1.484,52 5.176,53 4.964,54 1.916,55 3.873,56 0.925,57 4.805,58 246.582,59 89.56,60 8.758,61 8.758,62 4.393,63 120.881,64 4.262,65 9}
{0 CHEMBL271235,1 128.092,2 9.029,3 1,4 1,5 1,6 42.806,7 1,8 1,9 75.289,10 19.746,11 1.037,13 0.656,15 29.43,17 6.215,18 1.302,19 6.298,20 6.026,21 4.888,22 6.132,23 4.043,24 17.265,25 0.019,26 0.003,27 5.1,28 12.375,29 27.677,30 5.915,31 4.164,32 4.069,33 4.069,34 1.333,35 49.514,36 4.14,37 1.59,38 11.184,39 4.08,40 104.095,41 104.095,42 2,43 2.795,44 2.795,45 0.812,46 4,47 1.383,48 0.12,49 4.21,50 5.01,51 1.483,52 5.137,53 5.052,54 1.736,55 4.062,56 0.897,57 4.268,58 243.249,59 82.501,60 8.586,61 8.586,62 4.305,63 144.202,64 4.191,65 9.854}
{0 CHEMBL271450,1 118.187,2 8.942,3 1,4 1,5 1,6 53.806,7 1,8 1,9 75.289,10 15.213,11 0.789,13 0.607,15 32.525,17 6.162,18 1.236,19 6.552,20 6.033,21 4.968,22 6.005,23 4.055,24 18.896,25 0.051,26 0.002,27 5.204,28 12.501,29 30.367,30 6.043,31 4.237,32 4.228,33 4.228,34 1,35 32.483,36 4.15,37 1.637,38 12.593,39 4.142,40 104.095,41 104.095,42 2,43 2.779,44 2.779,45 0.761,46 2,47 1.311,48 0.121,49 4.222,50 5.007,51 1.27,52 5.304,53 4.941,54 1.713,55 3.674,56 0.947,57 4.312,58 224.753,59 54.951,60 8.586,61 8.586,62 4.292,63 120.881,64 4.175,65 9}
{0 CHEMBL271938,1 118.616,2 8.937,3 1,4 1,5 1,6 53.806,7 1,8 1,9 75.289,10 15.586,11 0.981,13 0.645,15 35.596,17 6.218,18 1.379,19 6.518,20 6.024,21 5.044,22 6.074,23 4.067,24 18.565,25 0.049,26 0.008,27 5.283,28 13.827,29 32.986,30 5.971,31 4.28,32 4.24,33 4.24,34 1,35 32.483,36 4.186,37 1.69,38 13.841,39 4.175,40 113.603,41 113.603,42 2,43 2.777,44 2.777,45 0.763,46 2,47 1.172,48 0.112,49 4.272,50 5.067,51 1.27,52 5.316,53 4.882,54 1.696,55 4,56 0.882,57 4.248,58 224.927,59 58.496,60 8.571,61 8.571,62 4.297,63 113.603,64 4.212,65 8.678}
{0 CHEMBL272102,1 118.616,2 8.907,3 1,4 1,5 1,6 53.806,7 1,8 1,9 92.075,10 15.465,11 0.878,13 0.635,15 28.833,17 6.087,18 1.205,19 6.408,20 6.024,21 4.823,22 5.895,23 3.891,24 17.863,25 0.036,26 -0.007,27 5.068,28 11.04,29 25.097,30 5.744,31 4.08,32 4.169,33 4.169,34 1,35 49.269,36 4.039,37 1.423,38 10.672,39 3.98,40 104.095,41 104.095,42 2,43 2.777,44 2.777,45 0.764,46 2,47 1.022,48 0.121,49 4.125,50 4.887,51 1.024,52 5.245,53 4.931,54 1.611,55 3.606,56 0.903,57 4.044,58 211.114,59 47.262,60 8.571,61 8.571,62 4.225,63 104.095,64 4.11,65 8.222}
{0 CHEMBL272341,1 128.092,2 8.846,3 1,4 1,5 1,6 42.806,7 1,8 1,9 75.289,10 18.455,11 0.887,13 0.606,15 23.985,17 6.211,18 1.167,19 6.213,20 6.026,21 4.715,22 5.888,23 3.936,24 17.265,25 -0.059,26 -0.007,27 4.922,28 10.891,29 23.844,30 5.585,31 4.024,32 4.078,33 4.078,34 1,35 32.483,36 4.019,37 1.326,38 9.909,39 3.944,40 129.24,41 129.24,42 2,43 2.793,44 2.793,45 0.981,46 1,47 1.333,48 0.147,49 4.068,50 4.858,51 1.215,52 5.143,53 4.885,54 1.572,55 3.808,56 0.83,57 3.998,58 214.107,59 64.102,60 8.582,61 8.582,62 4.216,63 146.026,64 4.079,65 8.745}
{0 CHEMBL272512,1 118.616,2 8.925,3 1,4 1,5 1,6 53.806,7 1,8 1,9 92.075,10 15.143,11 0.956,13 0.634,15 32.581,17 6.151,18 1.205,19 6.438,20 6.024,21 4.951,22 5.99,23 3.982,24 18.085,25 0.054,26 -0.001,27 5.197,28 12.452,29 29.345,30 5.972,31 4.195,32 4.184,33 4.184,34 1,35 49.269,36 4.126,37 1.583,38 12.337,39 4.088,40 104.095,41 104.095,42 2,43 2.777,44 2.777,45 0.743,46 2,47 1.066,48 0.113,49 4.221,50 4.989,51 1.27,52 5.26,53 5.017,54 1.694,55 3.742,56 0.918,57 4.241,58 222.405,59 52.269,60 8.571,61 8.571,62 4.273,63 104.095,64 4.17,65 9}
{0 CHEMBL273764,1 105.471,2 9.019,3 1,4 1,5 1,6 42.806,7 1,8 1,9 57.278,10 23.631,11 1.575,13 0.69,15 51.511,17 6.43,18 1.583,19 7.626,20 5.721,21 4.765,22 6.095,23 4.487,24 22.257,25 0.118,26 0.087,27 4.958,28 13.906,29 30.774,30 6.404,31 4.119,32 4.491,33 4.491,34 0.236,35 60.427,36 4.103,37 1.472,38 12.239,39 4.004,40 123.263,41 123.263,42 1,43 2.524,44 2.524,45 0.723,46 1,47 0.39,48 0.182,49 4.19,50 5.018,51 0.481,52 5.569,53 4.775,54 1.343,55 4.472,56 0.593,57 4.559,58 195.671,59 76.124,60 7.273,61 7.273,62 4.108,63 123.263,64 4.091,65 7.174}
{0 CHEMBL278060,1 105.471,2 8.987,3 1,4 1,5 1,6 42.806,7 1,8 1,9 57.278,10 28.363,11 1.428,13 0.728,15 45.951,17 6.413,18 1.583,19 7.579,20 5.721,21 4.592,22 6.031,23 4.455,24 22.257,25 0.074,26 0.068,27 4.763,28 13.194,29 21.745,30 5.96,31 4.016,32 4.491,33 4.491,34 0.16,35 77.457,36 4.047,37 1.388,38 10.753,39 3.915,40 123.263,41 123.263,42 1,43 2.523,44 2.523,45 0.791,46 1,47 0.338,48 0.201,49 4.123,50 4.921,51 0.478,52 5.565,53 4.709,54 1.131,55 4.359,56 0.613,57 4.349,58 183.195,59 83.861,60 7.272,61 7.272,62 3.962,63 146.585,64 4.034,65 7.959}
{0 CHEMBL291884,1 99.663,2 9.14,3 1,4 1,5 1,6 42.806,7 1,8 1,9 75.289,10 18.895,11 1.562,13 0.65,15 33.952,17 6.445,18 1.376,19 6.356,20 6.272,21 5.002,22 6.14,23 4.175,24 18.676,25 -0.088,26 -0.01,27 5.203,28 13.077,29 38.375,30 5.409,31 4.2,32 4.196,33 4.196,34 1.048,35 32.483,36 4.209,37 1.642,38 11.272,39 4.13,40 140.24,41 140.24,42 3,43 2.81,44 2.81,45 0.961,46 2,47 1.302,48 0.152,49 4.252,50 5.192,51 1.198,52 5.267,53 4.838,54 1.78,55 4.899,56 0.751,57 4.014,58 251.857,59 98.583,60 9.33,61 9.33,62 4.406,63 157.026,64 4.242,65 8.222}
{0 CHEMBL292546,1 128.092,2 9.264,3 1,4 1,5 1,6 42.806,7 1,8 1,9 57.278,10 13.679,11 0.797,13 0.607,15 38.174,17 6.368,18 1.369,19 6.616,20 6.429,21 5.061,22 6.042,23 4.105,24 19.211,25 0.052,26 0.028,27 5.321,28 15.326,29 27.98,30 7.014,31 4.318,32 4.237,33 4.237,34 1.23,35 14.473,36 4.337,37 1.991,38 12.537,39 4.212,40 104.095,41 104.095,42 1,43 2.895,44 2.895,45 0.803,46 4,47 1.357,48 0.094,49 4.412,50 5.295,51 1.591,52 5.308,53 4.818,54 1.956,55 3.742,56 0.902,57 5.338,58 240.175,59 43.34,60 9.833,61 9.833,62 4.393,63 120.881,64 4.326,65 7.585}
{0 CHEMBL302002,1 128.092,2 8.718,3 1,4 1,5 1,6 42.806,7 1,8 1,9 90.176,10 19.374,11 1.064,13 0.71,15 25.997,17 6.034,18 1.049,19 7.23,20 6.241,21 4.716,22 5.76,23 3.819,24 21.46,25 0.022,26 -0.019,27 4.957,28 10.844,29 21.283,30 5.526,31 4.007,32 4.499,33 4.499,34 0.89,35 14.473,36 4.041,37 1.391,38 9.169,39 3.907,40 104.095,41 104.095,42 1,43 2.772,44 2.772,45 0.896,46 2,47 1,48 0.139,49 4.12,50 4.911,51 1.047,52 5.571,53 4.849,54 1.625,55 3.742,56 0.801,57 3.923,58 214.107,59 42.378,60 9.246,61 9.246,62 4.23,63 153.778,64 4.116,65 8.301}
{0 CHEMBL302455,1 175.473,2 9.262,3 1,4 1,5 1,6 42.806,7 1,8 1,9 75.289,10 17.935,11 0.787,13 0.608,15 35.617,17 6.49,18 1.646,19 6.616,20 6.292,21 5.09,22 6.274,23 4.292,24 18.683,25 0.013,26 -0.003,27 5.292,28 14.93,29 34.734,30 6.837,31 4.346,32 4.198,33 4.198,34 1.375,35 32.483,36 4.338,37 1.935,38 13.089,39 4.282,40 129.24,41 129.24,42 2,43 2.864,44 2.864,45 0.867,46 2,47 1.422,48 0.136,49 4.388,50 5.207,51 2,52 5.269,53 4.817,54 1.956,55 4.243,56 0.857,57 4.898,58 253.013,59 81.136,60 9.405,61 9.405,62 4.415,63 146.026,64 4.348,65 9}
{0 CHEMBL303370,1 128.092,2 9.052,3 1,4 1,5 1,6 42.806,7 1,8 1,9 57.278,10 14.731,11 1.151,13 0.637,15 30.4,17 6.241,18 1.209,19 6.584,20 6.391,21 4.856,22 5.835,23 3.908,24 19.005,25 0.016,26 0.023,27 5.113,28 13.718,29 23.97,30 6.036,31 4.177,32 4.222,33 4.222,34 1,35 14.473,36 4.228,37 1.722,38 10.563,39 4.055,40 104.095,41 104.095,42 1,43 2.859,44 2.859,45 0.881,46 2,47 1.302,48 0.103,49 4.311,50 5.182,51 1.418,52 5.294,53 4.869,54 1.75,55 4.062,56 0.85,57 4.492,58 229.229,59 38.862,60 9.648,61 9.648,62 4.323,63 120.881,64 4.264,65 8.155}
{0 CHEMBL303510,1 99.663,2 8.707,3 1,4 1,5 1,6 42.806,7 1,8 1,9 90.176,10 19.231,11 1.163,13 0.717,15 20.22,17 5.901,18 0.876,19 6.319,20 5.67,21 4.494,22 5.632,23 3.656,24 18.45,25 0.036,26 -0.021,27 4.708,28 9.771,29 19.575,30 4.789,31 3.843,32 4.174,33 4.174,34 0.495,35 14.473,36 3.901,37 1.179,38 6.793,39 3.729,40 104.095,41 104.095,42 1,43 2.749,44 2.749,45 0.882,46 2,47 1,48 0.141,49 4,50 4.857,51 0.648,52 5.242,53 4.719,54 1.421,55 3.606,56 0.82,57 3.442,58 199.345,59 40.242,60 7.939,61 7.939,62 4.17,63 153.778,64 3.982,65 7.301}
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{0 CHEMBL322433,1 105.471,2 8.877,3 1,4 1,5 1,6 42.806,7 1,8 1,9 57.278,10 24.296,11 0.98,13 0.647,15 21.918,17 6.069,18 0.972,19 7.228,20 6.121,21 4.495,22 5.64,23 3.745,24 20.877,25 -0.008,26 0.108,27 4.732,28 9.268,29 17.38,30 6.206,31 3.792,32 4.396,33 4.396,34 0.03,35 14.473,36 3.85,37 1.12,38 7.226,39 3.703,40 112.264,41 112.264,42 1,43 2.648,44 2.648,45 0.883,46 2,47 0.456,48 0.169,49 3.932,50 4.692,51 0.201,52 5.474,53 4.516,54 1.355,55 3.24,56 1.002,57 4.687,58 164.176,59 44.273,60 8.726,61 8.726,62 3.991,63 129.049,64 3.918,65 6}
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{0 CHEMBL324549,1 124.662,2 9.647,3 1,4 1,5 1,6 53.806,7 1,8 1,9 111.311,10 39.935,11 0.857,13 0.594,15 83.51,17 6.998,18 2.125,19 7.085,20 6.152,21 5.851,22 6.997,23 4.825,24 20.149,25 -0.04,26 0.001,27 6.072,28 25.016,29 83.462,30 9.924,31 4.891,32 4.291,33 4.291,34 1.937,35 68.505,36 4.795,37 3.36,38 25.079,39 4.818,40 234.843,41 234.843,42 5,43 2.823,44 2.823,45 0.897,46 7,47 2.139,48 0.274,49 4.864,50 5.826,51 2.14,52 5.395,53 5.238,54 2.733,55 4.899,56 1.002,57 6.971,58 356.652,59 327.963,60 8.945,61 8.945,62 4.749,63 234.843,64 4.739,65 8.187}
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{0 CHEMBL336900,1 99.663,2 8.801,3 1,4 1,5 1,6 42.806,7 1,8 1,9 75.289,10 14.396,11 0.924,13 0.602,15 20.251,17 5.728,18 0.465,19 6.436,20 5.563,21 4.479,22 5.445,23 3.534,24 17.564,25 0.026,26 0.018,27 4.735,28 7.732,29 17.781,30 4.679,31 3.742,32 4.1,33 4.1,34 0.211,35 32.483,36 3.728,37 1.019,38 7.349,39 3.638,40 93.096,41 93.096,42 2,43 2.512,44 2.512,45 0.817,47 0.674,48 0.104,49 3.796,50 4.552,51 0.217,52 5.135,53 4.371,54 1.318,55 3.391,56 0.929,57 3.348,58 164.6,59 42.557,60 7.363,61 7.363,62 4.039,63 109.881,64 3.814,65 6.678}
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{0 CHEMBL344843,1 128.092,2 9.188,3 1,4 1,5 1,6 42.806,7 1,8 1,9 75.289,10 18.318,11 0.797,13 0.578,15 34.901,17 6.31,18 1.264,19 6.354,20 6.391,21 5.028,22 6.265,23 4.138,24 17.739,25 -0.007,26 -0.009,27 5.254,28 13.492,29 32.353,30 6.305,31 4.259,32 4.143,33 4.143,34 1.279,35 32.483,36 4.222,37 1.761,38 12.299,39 4.174,40 129.24,41 129.24,42 2,43 2.942,44 2.942,45 0.912,46 2,47 1.393,48 0.148,49 4.282,50 5.106,51 1.864,52 5.215,53 4.791,54 1.782,55 4.062,56 0.893,57 4.447,58 226.901,59 91.936,60 9.664,61 9.664,62 4.334,63 146.026,64 4.237,65 6}
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{0 CHEMBL357675,1 128.092,2 8.811,3 1,4 1,5 1,6 42.806,7 1,8 1,9 57.278,10 13.994,11 1.155,13 0.638,15 24.787,17 5.895,18 1.105,19 7.655,20 5.612,21 4.648,22 5.753,23 3.695,24 22.85,25 0.085,26 0.031,27 4.875,28 9.99,29 21.428,30 5.283,31 3.894,32 4.611,33 4.611,34 0.5,35 14.473,36 3.928,37 1.239,38 8.441,39 3.785,40 104.095,41 104.095,42 1,43 2.596,44 2.596,45 0.781,46 2,47 1,48 0.096,49 4.041,50 4.802,51 0.63,52 5.664,53 4.363,54 1.432,55 3.808,56 0.858,57 3.402,58 176.129,59 47.412,60 7.261,61 7.261,62 4.13,63 104.095,64 4.025,65 8.398}
{0 CHEMBL359251,1 118.616,2 8.819,3 1,4 1,5 1,6 93.553,7 1,8 1,9 57.278,10 16.531,11 1.241,13 0.57,15 27.129,17 5.964,18 1.341,19 7.397,20 5.929,21 4.729,22 5.972,23 3.796,24 22.85,25 0.067,26 0.119,27 4.941,28 9.901,29 21.825,30 5.587,31 3.918,32 4.611,33 4.611,34 1,35 14.473,36 3.979,37 1.252,38 8.605,39 3.83,40 154.842,41 154.842,42 1,43 2.787,44 2.787,45 0.641,46 2,47 1,48 0.247,49 4.073,50 4.829,51 0.841,52 5.671,53 4.567,54 1.502,55 4.243,56 0.772,57 3.541,58 197.474,59 59.265,60 8.229,61 8.229,62 4.18,63 154.842,64 4.1,65 8.222}
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{0 CHEMBL362100,1 134.138,2 9.059,3 1,4 1,5 1,6 42.806,7 1,8 1,9 57.278,10 24.542,11 0.891,13 0.657,15 35.424,17 6.525,18 1.576,19 7,20 6.531,21 4.957,22 6.176,23 4.207,24 20.016,25 0.009,26 0.081,27 5.158,28 14.659,29 32.494,30 8.172,31 4.244,32 4.287,33 4.287,34 1.055,35 14.473,36 4.265,37 1.797,38 12.806,39 4.159,40 123.263,41 123.263,42 1,43 3.02,44 3.02,45 0.876,46 3,47 1.383,48 0.155,49 4.372,50 5.204,51 1.377,52 5.41,53 5.024,54 1.917,55 4.183,56 0.952,57 6.277,58 240.451,59 72.315,60 10.315,61 10.315,62 4.339,63 140.049,64 4.315,65 8.959}
{0 CHEMBL363261,1 134.138,2 9.017,3 1,4 1,5 1,6 42.806,7 1,8 1,9 57.278,10 27.429,11 1.122,13 0.632,15 41.06,17 6.766,18 1.976,19 7.454,20 6.531,21 5.105,22 6.428,23 4.397,24 22.716,25 -0.064,26 0.062,27 5.304,28 16.556,29 35.606,30 8.464,31 4.353,32 4.566,33 4.566,34 1.128,35 14.473,36 4.388,37 2.012,38 14.155,39 4.28,40 148.408,41 148.408,42 1,43 3.073,44 3.073,45 0.975,46 3,47 1.401,48 0.177,49 4.469,50 5.306,51 1.489,52 5.7,53 4.945,54 1.971,55 4.848,56 0.893,57 6.836,58 249.337,59 102.75,60 10.315,61 10.315,62 4.367,63 165.194,64 4.409,65 6.18}
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{0 CHEMBL397601,1 85.286,9 54.032,10 11.513,11 0.551,12 1,13 0.564,14 1,15 19.453,16 1,17 5.89,18 0.84,19 6.213,20 6.02,21 4.537,22 5.752,23 3.78,24 17.265,25 -0.11,26 -0.08,27 4.739,28 9.167,29 19.471,30 4.766,31 3.866,32 4.057,33 4.057,34 0.881,35 54.032,36 3.84,37 1.134,38 7.888,39 3.787,40 86.435,41 86.435,42 4,43 2.805,44 2.805,45 1.047,46 2,47 1,48 0.099,49 3.914,50 4.674,51 0.817,52 5.124,53 4.738,54 1.387,55 3.391,56 0.808,57 3.277,58 189.624,59 45.324,60 8.567,61 8.567,62 4.136,63 103.22,64 3.914,65 7.009}
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{0 CHEMBL399604,1 128.092,2 9.159,3 1,4 1,5 1,6 42.806,7 1,8 1,9 75.289,10 18.014,11 1.214,13 0.629,15 47.16,17 6.405,18 1.531,19 6.256,20 6.447,21 5.285,22 6.453,23 4.262,24 17.455,25 -0.047,26 0.005,27 5.543,28 15.385,29 39.082,30 6.276,31 4.416,32 4.135,33 4.135,34 1.384,35 32.483,36 4.308,37 1.963,38 16.006,39 4.317,40 129.24,41 129.24,42 2,43 3.063,44 3.063,45 0.839,46 2,47 1.417,48 0.119,49 4.362,50 5.188,51 1.892,52 5.209,53 4.912,54 2.004,55 4.848,56 0.767,57 4.561,58 262.481,59 80.54,60 10.103,61 10.103,62 4.437,63 146.026,64 4.328,65 9}
{0 CHEMBL401263,1 128.092,2 9.121,3 1,4 1,5 1,6 64.805,7 1,8 1,9 75.289,10 19.156,11 0.797,13 0.665,15 31.486,17 6.323,18 1.334,19 6.97,20 6.353,21 4.951,22 6.117,23 4.161,24 20.004,25 -0.033,26 -0.017,27 5.154,28 12.613,29 31.368,30 6.565,31 4.183,32 4.451,33 4.451,34 1.368,35 32.483,36 4.18,37 1.613,38 11.722,39 4.118,40 126.095,41 126.095,42 2,43 2.866,44 2.866,45 0.894,46 3,47 1.421,48 0.164,49 4.244,50 5.068,51 1.483,52 5.516,53 4.966,54 1.776,55 4.123,56 0.868,57 4.91,58 243.498,59 90.502,60 9.571,61 9.571,62 4.347,63 142.881,64 4.233,65 9}
{0 CHEMBL401453,1 128.092,2 9.164,3 1,4 1,5 1,6 42.806,7 1,8 1,9 75.289,10 16.525,11 1.089,13 0.612,15 41.671,17 6.396,18 1.796,19 6.87,20 6.509,21 5.182,22 6.423,23 4.215,24 19.462,25 0.021,26 0.019,27 5.423,28 17.011,29 38.891,30 6.553,31 4.425,32 4.363,33 4.363,34 1.384,35 32.483,36 4.334,37 2.115,38 13.747,39 4.299,40 118.24,41 118.24,42 2,43 3.037,44 3.037,45 0.811,46 2,47 1.417,48 0.095,49 4.43,50 5.3,51 1.732,52 5.404,53 4.844,54 2.064,55 4.743,56 0.783,57 4.726,58 252.94,59 105.404,60 10.181,61 10.181,62 4.42,63 135.026,64 4.348,65 8.824}
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{0 CHEMBL401455,1 128.092,2 8.949,3 1,4 1,5 1,6 53.806,7 1,8 1,9 75.289,10 15.396,11 0.963,13 0.643,15 37.085,17 6.206,18 1.403,19 6.245,20 6.024,21 5.083,22 6.104,23 4.083,24 17.423,25 0.047,26 0.019,27 5.331,28 13.777,29 33.42,30 6.144,31 4.311,32 4.101,33 4.101,34 1,35 32.483,36 4.221,37 1.724,38 14.283,39 4.203,40 104.095,41 104.095,42 2,43 2.779,44 2.779,45 0.755,46 2,47 1.231,48 0.096,49 4.311,50 5.052,51 1.271,52 5.177,53 4.889,54 1.836,55 4,56 0.9,57 4.21,58 230.615,59 58.129,60 8.572,61 8.572,62 4.328,63 120.881,64 4.242,65 9}
{0 CHEMBL401471,1 128.092,2 9.162,3 1,4 1,5 1,6 53.806,7 1,8 1,9 75.289,10 16.6,11 0.797,13 0.64,15 33.986,17 6.311,18 1.334,19 6.97,20 6.353,21 5.004,22 6.163,23 4.151,24 20.004,25 0.013,26 0.004,27 5.213,28 13.228,29 32.481,30 7.059,31 4.229,32 4.424,33 4.424,34 1.333,35 32.483,36 4.21,37 1.709,38 12.423,39 4.153,40 115.095,41 115.095,42 2,43 2.866,44 2.866,45 0.814,46 2,47 1.364,48 0.12,49 4.288,50 5.11,51 1.516,52 5.489,53 4.949,54 1.911,55 4.123,56 0.875,57 5.386,58 245.454,59 85.122,60 9.571,61 9.571,62 4.373,63 131.881,64 4.27,65 9}
{0 CHEMBL401824,1 128.092,2 8.797,3 1,4 1,5 1,6 42.806,7 1,8 1,9 75.289,10 29.094,11 0.906,13 0.607,15 25.111,17 6.457,18 1.334,19 6.592,20 6.221,21 4.756,22 5.999,23 4.061,24 18.617,25 -0.127,26 -0.019,27 4.965,28 11.303,29 25.64,30 5.727,31 4.032,32 4.283,33 4.283,34 1,35 32.483,36 4.047,37 1.55,38 10.337,39 3.974,40 104.095,41 134.016,42 2,43 2.839,44 2.839,45 1.111,46 1,47 1.333,48 0.209,49 4.075,50 4.912,51 1.217,52 5.348,53 4.892,54 1.971,55 4.123,56 0.773,57 4.151,58 222.099,59 84.085,60 9.17,61 9.17,62 4.244,63 150.801,64 4.101,65 8.201}
{0 CHEMBL401979,1 128.092,2 8.993,3 1,4 1,5 1,6 42.806,7 1,8 1,9 75.289,10 17.904,11 0.981,13 0.612,15 30.052,17 6.3,18 1.334,19 6.227,20 6.03,21 4.901,22 6.241,23 4.082,24 17.29,25 -0.037,26 -0.01,27 5.107,28 11.9,29 28.874,30 5.969,31 4.137,32 4.094,33 4.094,34 1.333,35 32.483,36 4.129,37 1.543,38 10.914,39 4.067,40 129.24,41 129.24,42 2,43 2.803,44 2.803,45 0.92,46 3,47 1.384,48 0.149,49 4.196,50 5.007,51 1.482,52 5.161,53 4.873,54 1.72,55 4.183,56 0.827,57 4.185,58 231.297,59 85.027,60 8.602,61 8.602,62 4.308,63 146.026,64 4.188,65 8.886}
{0 CHEMBL402118,1 136.626,2 8.873,3 1,4 1,5 1,6 42.806,7 1,8 1,9 93.3,10 15.313,11 0.999,13 0.643,15 33.684,17 6.094,18 1.299,19 6.517,20 6.024,21 4.989,22 6.012,23 3.983,24 18.565,25 0.067,26 -0.001,27 5.235,28 13.155,29 30.383,30 5.829,31 4.234,32 4.24,33 4.24,34 1,35 50.494,36 4.129,37 1.618,38 12.865,39 4.118,40 102.603,41 102.603,42 2,43 2.779,44 2.779,45 0.74,46 2,47 1.172,48 0.113,49 4.217,50 5.003,51 1.2,52 5.283,53 4.832,54 1.664,55 4,56 0.86,57 4.185,58 218.405,59 53.219,60 8.571,61 8.571,62 4.273,63 102.603,64 4.155,65 8.745}
{0 CHEMBL402393,1 118.187,2 8.884,3 1,4 1,5 1,6 53.806,7 1,8 1,9 75.289,10 44.077,11 0.998,13 0.602,15 30.042,17 6.468,18 1.601,19 7.002,20 6.455,21 4.868,22 6.265,23 4.218,24 20.521,25 0.074,26 -0.02,27 5.084,28 10.704,29 25.906,30 5.627,31 4.031,32 4.359,33 4.359,34 1,35 32.483,36 4.086,37 2.051,38 10.315,39 4.052,40 104.095,41 148.976,42 2,43 2.895,44 2.895,45 0.549,46 2,47 1.322,48 0.321,49 4.079,50 4.938,51 1.27,52 5.435,53 5.007,54 1.839,55 4.359,56 0.774,57 3.934,58 221.138,59 126.561,60 9.879,61 9.879,62 4.231,63 165.639,64 4.134,65 9}
{0 CHEMBL402436,1 118.616,2 9.16,3 1,4 1,5 1,6 42.806,7 1,8 1,9 75.289,10 18.123,11 1.281,13 0.628,15 49.599,17 6.4,18 1.57,19 6.437,20 6.447,21 5.283,22 6.453,23 4.33,24 18.085,25 -0.032,26 -0.009,27 5.536,28 15.803,29 40.044,30 6.771,31 4.431,32 4.136,33 4.136,34 1.455,35 32.483,36 4.299,37 1.977,38 16.803,39 4.323,40 129.24,41 129.24,42 2,43 3.064,44 3.064,45 0.835,46 3,47 1.743,48 0.147,49 4.367,50 5.158,51 1.801,52 5.209,53 4.94,54 1.977,55 4.95,56 0.898,57 4.905,58 265.999,59 80.602,60 10.103,61 10.103,62 4.431,63 146.026,64 4.308,65 9}
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{0 CHEMBL402746,1 128.092,2 8.871,3 1,4 1,5 1,6 42.806,7 1,8 1,9 75.289,10 15.274,11 0.861,13 0.631,15 24.948,17 6.038,18 1.031,19 6.213,20 6.024,21 4.729,22 5.813,23 3.846,24 17.265,25 0.053,26 0.01,27 4.95,28 11.199,29 25.003,30 5.72,31 4.037,32 4.057,33 4.057,34 1,35 32.483,36 4.009,37 1.352,38 10.227,39 3.934,40 104.095,41 104.095,42 2,43 2.784,44 2.784,45 0.773,46 1,47 1.115,48 0.111,49 4.08,50 4.877,51 1.205,52 5.122,53 4.793,54 1.618,55 3.742,56 0.875,57 4.159,58 211.293,59 52.722,60 8.57,61 8.57,62 4.234,63 120.881,64 4.072,65 8.699}
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{0 CHEMBL403401,1 128.092,2 9.078,3 1,4 1,5 1,6 42.806,7 1,8 1,9 75.289,10 15.63,11 0.981,13 0.653,15 34.662,17 6.233,18 1.334,19 6.227,20 6.03,21 5.009,22 6.185,23 4.076,24 17.29,25 0.038,26 0.014,27 5.23,28 12.865,29 33.376,30 6.283,31 4.214,32 4.091,33 4.091,34 1.217,35 32.483,36 4.186,37 1.697,38 11.944,39 4.122,40 104.095,41 104.095,42 2,43 2.803,44 2.803,45 0.789,46 3,47 1.333,48 0.104,49 4.285,50 5.097,51 1.482,52 5.159,53 4.925,54 1.866,55 4.183,56 0.864,57 4.38,58 241.883,59 94.444,60 8.602,61 8.602,62 4.368,63 120.881,64 4.246,65 9.398}
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{0 CHEMBL403684,1 146.103,2 8.936,3 1,4 1,5 1,6 42.806,7 1,8 1,9 93.3,10 16.146,11 0.844,13 0.646,15 27.2,17 6.147,18 1.111,19 6.213,20 6.024,21 4.804,22 5.907,23 3.939,24 17.265,25 0.043,26 -0.012,27 5.024,28 11.404,29 26.986,30 5.686,31 4.082,32 4.057,33 4.057,34 1,35 50.494,36 4.063,37 1.436,38 10.664,39 3.993,40 104.095,41 104.095,42 2,43 2.782,44 2.782,45 0.782,46 3,47 1.333,48 0.13,49 4.134,50 4.947,51 1.273,52 5.119,53 4.974,54 1.696,55 3.742,56 0.903,57 4.019,58 225.844,59 55.71,60 8.569,61 8.569,62 4.279,63 120.881,64 4.127,65 7.62}
{0 CHEMBL403777,1 118.187,2 8.938,3 1,4 1,5 1,6 53.806,7 1,8 1,9 75.289,10 15.552,11 0.981,13 0.639,15 35.424,17 6.214,18 1.379,19 6.518,20 6.024,21 5.042,22 6.072,23 4.065,24 18.565,25 0.046,26 0.008,27 5.285,28 13.303,29 33.135,30 5.914,31 4.277,32 4.189,33 4.189,34 1,35 32.483,36 4.173,37 1.715,38 13.528,39 4.171,40 104.095,41 104.095,42 2,43 2.777,44 2.777,45 0.757,46 2,47 1.172,48 0.112,49 4.251,50 5.066,51 1.27,52 5.265,53 4.988,54 1.774,55 4,56 0.887,57 4.174,58 231.275,59 59.642,60 8.571,61 8.571,62 4.311,63 120.881,64 4.199,65 8.495}
{0 CHEMBL403778,1 118.187,2 8.904,3 1,4 1,5 1,6 53.806,7 1,8 1,9 75.289,10 15.728,11 0.878,13 0.632,15 27.879,17 6.085,18 1.205,19 6.408,20 6.024,21 4.794,22 5.885,23 3.892,24 17.863,25 0.028,26 -0.005,27 5.036,28 10.482,29 24.578,30 5.537,31 4.053,32 4.126,33 4.126,34 1,35 32.483,36 4.013,37 1.393,38 10.2,39 3.962,40 104.095,41 104.095,42 2,43 2.777,44 2.777,45 0.788,46 2,47 1.022,48 0.132,49 4.086,50 4.87,51 1.018,52 5.203,53 5.007,54 1.589,55 3.606,56 0.888,57 3.848,58 213.007,59 48.458,60 8.571,61 8.571,62 4.215,63 120.881,64 4.08,65 9}
{0 CHEMBL404010,1 118.616,2 8.938,3 1,4 1,5 1,6 53.806,7 1,8 1,9 75.289,10 15.538,11 0.981,13 0.641,15 35.572,17 6.213,18 1.379,19 6.518,20 6.024,21 5.043,22 6.078,23 4.064,24 18.565,25 0.051,26 0.008,27 5.288,28 13.479,29 33.074,30 5.877,31 4.281,32 4.184,33 4.184,34 1,35 32.483,36 4.181,37 1.71,38 13.571,39 4.173,40 104.095,41 104.095,42 2,43 2.777,44 2.777,45 0.752,46 3,47 1.152,48 0.112,49 4.266,50 5.064,51 1.27,52 5.26,53 4.882,54 1.781,55 4,56 0.893,57 4.149,58 226.927,59 58.514,60 8.571,61 8.571,62 4.311,63 120.881,64 4.194,65 8.796}
{0 CHEMBL404019,1 136.626,2 8.843,3 1,4 1,5 1,6 42.806,7 1,8 1,9 110.085,10 15.107,11 0.897,13 0.634,15 26.931,17 5.944,18 1.126,19 6.407,20 6.024,21 4.754,22 5.82,23 3.791,24 17.863,25 0.055,26 -0.02,27 5.009,28 10.372,29 22.483,30 5.602,31 4.023,32 4.169,33 4.169,34 1,35 67.28,36 3.972,37 1.35,38 9.703,39 3.91,40 93.096,41 93.096,42 2,43 2.779,44 2.779,45 0.74,46 2,47 1.022,48 0.122,49 4.061,50 4.81,51 1.014,52 5.213,53 4.883,54 1.578,55 3.606,56 0.88,57 3.981,58 203.526,59 41.94,60 8.571,61 8.571,62 4.2,63 93.096,64 4.046,65 8.658}
{0 CHEMBL404083,1 128.092,2 8.883,3 1,4 1,5 1,6 53.806,7 1,8 1,9 75.289,10 17.135,11 0.844,13 0.654,15 27.623,17 6.122,18 1.111,19 6.213,20 6.024,21 4.807,22 5.933,23 3.94,24 17.265,25 0.082,26 -0.008,27 5.021,28 11.437,29 25.435,30 5.448,31 4.066,32 4.057,33 4.057,34 1,35 32.483,36 4.048,37 1.411,38 10.57,39 3.983,40 115.095,41 115.095,42 2,43 2.782,44 2.782,45 0.776,46 2,47 1.333,48 0.141,49 4.107,50 4.932,51 1.265,52 5.139,53 4.933,54 1.596,55 3.742,56 0.899,57 3.881,58 221.31,59 55.652,60 8.569,61 8.569,62 4.254,63 131.881,64 4.102,65 8.523}
{0 CHEMBL404162,1 128.092,2 9.104,3 1,4 1,5 1,6 42.806,7 1,8 1,9 75.289,10 17.113,11 1.055,13 0.674,15 34.941,17 6.259,18 1.438,19 6.213,20 6.026,21 5.026,22 6.182,23 4.096,24 17.265,25 0.017,26 0.014,27 5.255,28 14.489,29 33.677,30 6.093,31 4.278,32 4.072,33 4.072,34 1.333,35 32.483,36 4.219,37 1.818,38 12.4,39 4.169,40 104.095,41 104.095,42 2,43 2.796,44 2.796,45 0.83,46 4,47 1.392,48 0.103,49 4.303,50 5.169,51 1.483,52 5.14,53 5.037,54 1.866,55 4.301,56 0.875,57 4.521,58 252.871,59 91.807,60 8.588,61 8.588,62 4.381,63 136.648,64 4.247,65 8.824}
{0 CHEMBL404382,1 118.616,2 9.192,3 1,4 1,5 1,6 53.806,7 1,8 1,9 75.289,10 15.415,11 0.93,13 0.633,15 43.18,17 6.368,18 1.601,19 6.969,20 6.353,21 5.219,22 6.308,23 4.251,24 20.262,25 0.038,26 0.018,27 5.455,28 15.407,29 38.459,30 7.375,31 4.417,32 4.424,33 4.424,34 1.152,35 32.483,36 4.323,37 2.014,38 15.389,39 4.318,40 104.095,41 104.095,42 2,43 2.864,44 2.864,45 0.758,46 2,47 1.364,48 0.096,49 4.417,50 5.229,51 1.646,52 5.48,53 4.909,54 2.077,55 4.359,56 0.864,57 5.653,58 250.189,59 81.406,60 9.571,61 9.571,62 4.423,63 120.881,64 4.339,65 8.959}
{0 CHEMBL404673,1 118.616,2 8.901,3 1,4 1,5 1,6 42.806,7 1,8 1,9 75.289,10 14.159,11 0.999,13 0.622,15 34.081,17 6.112,18 1.299,19 6.517,20 6.024,21 5.003,22 6.012,23 3.979,24 18.565,25 0.08,26 0.027,27 5.254,28 13.406,29 30.948,30 6.037,31 4.261,32 4.184,33 4.184,34 1,35 32.483,36 4.146,37 1.668,38 13.275,39 4.136,40 93.096,41 93.096,42 2,43 2.779,44 2.779,45 0.706,46 1,47 1.115,48 0.09,49 4.237,50 5.025,51 1.205,52 5.234,53 4.747,54 1.784,55 4,56 0.862,57 4.426,58 216.834,59 51.773,60 8.571,61 8.571,62 4.291,63 109.881,64 4.156,65 9}
{0 CHEMBL416173,1 105.471,2 9.052,3 1,4 1,5 1,6 42.806,7 1,8 1,9 57.278,10 24.919,11 1.973,13 0.688,15 50.696,17 6.464,18 1.583,19 7.679,20 5.721,21 4.785,22 6.131,23 4.524,24 22.257,25 0.122,26 0.093,27 4.958,28 14.266,29 30.364,30 6.729,31 4.151,32 4.491,33 4.491,34 0.73,35 94.488,36 4.16,37 1.538,38 12.377,39 4.05,40 123.263,41 123.263,42 1,43 2.524,44 2.524,45 0.735,46 1,47 1,48 0.175,49 4.249,50 5.044,51 0.777,52 5.574,53 4.954,54 1.434,55 4.796,56 0.605,57 4.748,58 218.705,59 82.331,60 7.273,61 7.273,62 4.193,63 123.263,64 4.159,65 7.469}
{0 CHEMBL417212,1 128.092,2 9.165,3 1,4 1,5 1,6 42.806,7 1,8 1,9 75.289,10 18.624,11 1.696,13 0.617,15 37.472,17 6.526,18 1.494,19 6.723,20 6.276,21 5.084,22 6.194,23 4.264,24 18.673,25 0.01,26 -0.008,27 5.297,28 13.798,29 36.291,30 6.519,31 4.276,32 4.193,33 4.193,34 1.375,35 32.483,36 4.305,37 1.806,38 12.177,39 4.218,40 140.24,41 140.24,42 3,43 2.813,44 2.813,45 0.835,46 3,47 1.422,48 0.15,49 4.348,50 5.217,51 1.81,52 5.265,53 5.164,54 1.927,55 4.637,56 0.865,57 4.562,58 270.043,59 83.356,60 9.343,61 9.343,62 4.454,63 157.026,64 4.324,65 8.699}
{0 CHEMBL417411,1 128.092,2 9.115,3 1,4 1,5 1,6 42.806,7 1,8 1,9 90.176,10 18.81,11 1.222,13 0.708,15 37.556,17 6.347,18 1.351,19 7.649,20 6.41,21 5.048,22 6.033,23 4.033,24 23.2,25 0.073,27 5.312,28 14.413,29 28.361,30 6.491,31 4.277,32 4.62,33 4.62,34 1,35 14.473,36 4.295,37 1.898,38 12.52,39 4.162,40 104.095,41 104.095,42 1,43 2.843,44 2.843,45 0.83,46 2,47 1.305,48 0.113,49 4.382,50 5.249,51 1.496,52 5.691,53 4.945,54 1.901,55 4.243,56 0.827,57 4.713,58 243.945,59 49.412,60 9.634,61 9.634,62 4.369,63 153.778,64 4.327,65 8.398}
{0 CHEMBL418476,1 128.092,2 9.115,3 1,4 1,5 1,6 42.806,7 1,8 1,9 90.176,10 18.81,11 1.222,13 0.708,15 37.556,17 6.347,18 1.351,19 7.649,20 6.41,21 5.048,22 6.033,23 4.033,24 23.2,25 0.073,27 5.312,28 14.413,29 28.361,30 6.491,31 4.277,32 4.62,33 4.62,34 1,35 14.473,36 4.295,37 1.898,38 12.52,39 4.162,40 104.095,41 104.095,42 1,43 2.843,44 2.843,45 0.83,46 2,47 1.305,48 0.113,49 4.382,50 5.249,51 1.496,52 5.691,53 4.945,54 1.901,55 4.243,56 0.827,57 4.713,58 243.945,59 49.412,60 9.634,61 9.634,62 4.369,63 153.778,64 4.327,65 6.393}
{0 CHEMBL422821,1 135.741,2 9.276,3 1,4 1,5 1,6 42.806,7 1,8 1,9 75.289,10 20.009,11 0.762,13 0.613,15 42.939,17 6.476,18 1.628,19 6.335,20 5.997,21 5.162,22 6.425,23 4.372,24 17.681,25 -0.02,26 -0.025,27 5.363,28 15.147,29 40.479,30 7.657,31 4.369,32 4.118,33 4.118,34 1.423,35 32.483,36 4.327,37 1.967,38 15.145,39 4.302,40 140.24,41 140.24,42 2,43 2.729,44 2.729,45 0.871,46 4,47 1.691,48 0.189,49 4.369,50 5.22,51 2.026,52 5.242,53 5.254,54 2.017,55 4.472,56 0.881,57 5.392,58 285.108,59 81.827,60 8.471,61 8.471,62 4.463,63 173.811,64 4.359,65 9.523}
{0 CHEMBL423906,1 133.899,2 9.086,3 1,4 1,5 1,6 42.806,7 1,8 1,9 75.289,10 28.304,11 0.978,13 0.645,15 36.676,17 6.452,18 1.687,19 6.806,20 6.531,21 5.024,22 6.459,23 4.277,24 18.859,25 -0.082,26 0.052,27 5.225,28 13.768,29 33.958,30 7.544,31 4.24,32 4.288,33 4.288,34 1.367,35 32.483,36 4.245,37 1.747,38 12.431,39 4.166,40 148.408,41 148.408,42 2,43 3.031,44 3.031,45 0.999,46 3,47 1.393,48 0.21,49 4.321,50 5.139,51 1.532,52 5.353,53 5.031,54 1.918,55 4.528,56 0.958,57 5.299,58 250.941,59 97.337,60 10.315,61 10.315,62 4.364,63 165.194,64 4.306,65 9.319}
{0 CHEMBL425415,1 175.473,2 9.175,3 1,4 1,5 1,6 42.806,7 1,8 1,9 75.289,10 15.334,11 0.864,13 0.636,15 46.173,17 6.446,18 1.201,19 7.045,20 6.011,21 5.297,22 6.285,23 4.298,24 19.824,25 0.02,26 0.023,27 5.546,28 17.106,29 42.661,30 7.505,31 4.499,32 4.364,33 4.364,34 1.333,35 32.483,36 4.414,37 2.222,38 17.687,39 4.394,40 104.095,41 104.095,42 2,43 2.78,44 2.78,45 0.795,46 4,47 1.421,48 0.092,49 4.506,50 5.326,51 2,52 5.428,53 4.836,54 2.228,55 4.359,56 0.91,57 5.365,58 273.407,59 81.477,60 8.528,61 8.528,62 4.508,63 120.881,64 4.43,65 8.745}
{0 CHEMBL426434,1 152.149,2 8.97,3 1,4 1,5 1,6 42.806,7 1,8 1,9 75.289,10 25.753,11 0.871,13 0.662,15 32.883,17 6.368,18 1.41,19 6.994,20 6.433,21 4.873,22 6.092,23 4.134,24 19.977,25 0.012,26 0.064,27 5.082,28 13.502,29 28.214,30 7.853,31 4.155,32 4.274,33 4.274,34 1.038,35 32.483,36 4.167,37 1.594,38 11.696,39 4.061,40 123.263,41 123.263,42 1,43 2.935,44 2.935,45 0.871,46 4,47 1.363,48 0.17,49 4.255,50 5.057,51 1.281,52 5.393,53 4.985,54 1.818,55 4.123,56 0.972,57 5.98,58 232.751,59 68.498,60 9.844,61 9.844,62 4.294,63 140.049,64 4.238,65 9}
{0 CHEMBL427861,1 85.286,9 72.043,10 17.913,11 1.149,12 2,13 0.586,14 1,15 33.313,16 1,17 6.445,18 1.66,19 7.617,20 6.444,21 5.116,22 6.543,23 4.338,24 22.781,25 -0.147,26 -0.079,27 5.278,28 13.235,29 47.117,30 5.899,31 4.294,32 4.594,33 4.594,34 1.334,35 72.043,36 4.252,37 1.73,38 12.894,39 4.261,40 147.724,41 147.724,42 7,43 3.073,44 3.073,45 1.043,46 2,47 1.421,48 0.178,49 4.268,50 5.119,51 2,52 5.668,53 4.854,54 1.956,55 5.05,56 0.674,57 4.043,58 268.065,59 206.781,60 10.148,61 10.148,62 4.445,63 164.51,64 4.324,65 7.886}
{0 CHEMBL428212,1 85.286,9 54.032,10 13.238,11 0.551,12 2,13 0.543,14 1,15 36.179,16 1,17 6.532,18 1.66,19 7.885,20 6.029,21 5.101,22 6.301,23 4.328,24 23.828,25 -0.054,26 -0.064,27 5.299,28 14.295,29 37.126,30 7.194,31 4.345,32 4.679,33 4.679,34 1.334,35 54.032,36 4.348,37 1.995,38 12.772,39 4.282,40 111.58,41 111.58,42 5,43 2.816,44 2.816,45 0.95,46 6,47 1.421,48 0.107,49 4.416,50 5.269,51 1.967,52 5.748,53 4.728,54 2.117,55 3.937,56 0.819,57 4.983,58 259.006,59 151.796,60 8.588,61 8.588,62 4.461,63 128.365,64 4.41,65 7.237}
{0 CHEMBL429107,1 85.286,9 54.032,10 13.856,11 0.864,12 1,13 0.553,14 1,15 36.241,16 1,17 6.468,18 1.771,19 7.658,20 6.273,21 5.106,22 6.424,23 4.302,24 23.18,25 -0.069,26 -0.059,27 5.313,28 15.013,29 38.629,30 6.959,31 4.349,32 4.644,33 4.644,34 1.421,35 54.032,36 4.309,37 1.941,38 12.484,39 4.278,40 111.58,41 111.58,42 4,43 2.836,44 2.836,45 0.965,46 3,47 1.737,48 0.094,49 4.375,50 5.23,51 2,52 5.712,53 5.009,54 2.055,55 4.472,56 0.759,57 5.035,58 259.128,59 103.654,60 9.134,61 9.134,62 4.425,63 128.365,64 4.349,65 7.62}
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{0 CHEMBL429589,1 128.092,2 8.939,3 1,4 1,5 1,6 42.806,7 1,8 1,9 75.289,10 15.473,11 0.887,13 0.644,15 28.12,17 6.127,18 1.167,19 6.213,20 6.026,21 4.822,22 5.952,23 3.936,24 17.265,25 0.028,26 0.002,27 5.041,28 11.335,29 26.049,30 5.707,31 4.079,32 4.061,33 4.061,34 1,35 32.483,36 4.053,37 1.444,38 10.474,39 3.989,40 104.095,41 104.095,42 2,43 2.793,44 2.793,45 0.811,46 3,47 1.333,48 0.121,49 4.121,50 4.943,51 1.21,52 5.129,53 4.926,54 1.667,55 3.808,56 0.874,57 4.125,58 223.401,59 52.956,60 8.582,61 8.582,62 4.278,63 120.881,64 4.119,65 8.796}
{0 CHEMBL429674,1 118.187,2 8.922,3 1,4 1,5 1,6 53.806,7 1,8 1,9 75.289,10 15.626,11 0.956,13 0.625,15 31.815,17 6.151,18 1.205,19 6.438,20 6.024,21 4.928,22 5.983,23 3.985,24 18.085,25 0.049,26 0.042,27 5.172,28 11.78,29 28.807,30 5.777,31 4.166,32 4.171,33 4.171,34 1,35 32.483,36 4.098,37 1.558,38 11.69,39 4.068,40 104.095,41 104.095,42 2,43 2.777,44 2.777,45 0.763,46 2,47 1.066,48 0.143,49 4.176,50 4.974,51 1.27,52 5.247,53 5.089,54 1.665,55 3.742,56 0.904,57 4.057,58 222.22,59 53,60 8.571,61 8.571,62 4.265,63 120.758,64 4.138,65 8.699}
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{0 CHEMBL436071,1 80.711,2 8.842,3 1,4 1,5 1,6 42.806,7 1,8 1,9 57.278,10 14.682,11 1.165,13 0.646,15 26.867,17 5.962,18 1.327,19 7.399,20 6.39,21 4.75,22 5.861,23 3.797,24 22.85,25 0.074,26 0.03,27 4.963,28 11.262,29 26.618,30 5.906,31 4.011,32 4.611,33 4.611,34 0.551,35 14.473,36 4.047,37 1.373,38 9.364,39 3.892,40 104.095,41 104.095,42 1,43 2.87,44 2.87,45 0.799,46 2,47 1,48 0.095,49 4.176,50 4.928,51 0.794,52 5.67,53 4.753,54 1.576,55 3.937,56 0.787,57 3.772,58 202.991,59 55.173,60 9.637,61 9.637,62 4.225,63 120.881,64 4.164,65 7.796}
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{0 CHEMBL60373,1 128.092,2 9.023,3 1,4 1,5 1,6 42.806,7 1,8 1,9 75.289,10 18.968,11 1.348,13 0.62,15 32.206,17 6.456,18 1.438,19 6.494,20 6.276,21 4.941,22 6.089,23 4.17,24 18.672,25 -0.005,26 -0.026,27 5.155,28 12.905,29 29.364,30 5.973,31 4.174,32 4.193,33 4.193,34 1.375,35 32.483,36 4.225,37 1.64,38 10.632,39 4.115,40 140.24,41 140.24,42 3,43 2.812,44 2.812,45 0.851,46 2,47 1.422,48 0.187,49 4.269,50 5.128,51 1.48,52 5.265,53 5.078,54 1.707,55 4.301,56 0.833,57 4.27,58 240.658,59 74.734,60 9.341,61 9.341,62 4.327,63 157.026,64 4.245,65 9}
{0 CHEMBL62455,1 128.092,2 9.529,3 1,4 1,5 1,6 42.806,8 1,9 42.806,10 12.148,11 1.139,13 0.62,15 18.91,17 5.802,18 0.876,19 6.577,20 5.478,21 4.424,22 5.504,23 3.583,24 18.45,25 0.051,26 0.042,27 4.643,28 8.417,29 18.078,30 4.751,31 3.75,32 4.169,33 4.169,34 0.491,36 3.809,37 1.052,38 6.877,39 3.652,40 104.095,41 104.095,43 2.57,44 2.57,45 0.765,46 2,47 0.962,48 0.096,49 3.905,50 4.632,51 0.487,52 5.233,53 4.542,54 1.324,55 3.464,56 0.922,57 3.149,58 166.276,59 33.454,60 7.217,61 7.217,62 4.072,63 104.095,64 3.896,65 6.955}
{0 CHEMBL62740,1 128.092,2 8.83,3 1,4 1,5 1,6 42.806,7 1,8 1,9 57.278,10 14.547,11 1.064,13 0.631,15 24.369,17 5.971,18 1.049,19 6.457,20 6.196,21 4.682,22 5.737,23 3.8,24 18.45,25 0.027,26 0.025,27 4.903,28 11.629,29 22.605,30 5.847,31 4.02,32 4.178,33 4.178,34 1,35 14.473,36 4.066,37 1.407,38 9.181,39 3.906,40 104.095,41 104.095,42 1,43 2.763,44 2.763,45 0.86,46 2,47 1.071,48 0.103,49 4.163,50 4.925,51 1.172,52 5.249,53 4.842,54 1.606,55 3.674,56 0.832,57 4.104,58 208.85,59 40.285,60 8.969,61 8.969,62 4.233,63 120.881,64 4.148,65 7.284}
{0 CHEMBL62964,1 128.092,2 8.991,3 1,4 1,5 1,6 42.806,7 1,8 1,9 75.289,10 17.88,11 1.222,13 0.612,15 32.687,17 6.411,18 1.382,19 6.494,20 6.274,21 4.922,22 6.022,23 4.079,24 18.669,25 -0.054,26 -0.01,27 5.156,28 12.998,29 25.372,30 5.873,31 4.171,32 4.193,33 4.193,34 1.208,35 32.483,36 4.219,37 1.668,38 10.649,39 4.092,40 129.24,41 129.24,42 2,43 2.808,44 2.808,45 0.983,46 2,47 1.375,48 0.149,49 4.278,50 5.122,51 1.477,52 5.264,53 4.894,54 1.716,55 4.183,56 0.815,57 4.303,58 230.542,59 48.285,60 9.332,61 9.332,62 4.308,63 146.026,64 4.234,65 9}
{0 CHEMBL63272,1 128.092,2 8.83,3 1,4 1,5 1,6 42.806,7 1,8 1,9 57.278,10 14.547,11 1.064,13 0.631,15 24.369,17 5.971,18 1.049,19 6.457,20 6.196,21 4.682,22 5.737,23 3.8,24 18.45,25 0.027,26 0.025,27 4.903,28 11.629,29 22.605,30 5.847,31 4.02,32 4.178,33 4.178,34 1,35 14.473,36 4.066,37 1.407,38 9.181,39 3.906,40 104.095,41 104.095,42 1,43 2.763,44 2.763,45 0.86,46 2,47 1.071,48 0.103,49 4.163,50 4.925,51 1.172,52 5.249,53 4.842,54 1.606,55 3.674,56 0.832,57 4.104,58 208.85,59 40.285,60 8.969,61 8.969,62 4.233,63 120.881,64 4.148,65 9}
{0 CHEMBL64262,1 128.092,2 9.268,3 1,4 1,5 1,6 53.806,7 1,8 1,9 75.289,10 19.194,11 0.787,13 0.605,15 40.476,16 1,17 6.483,18 1.646,19 6.616,20 6.292,21 5.181,22 6.288,23 4.312,24 18.683,25 -0.006,26 -0.019,27 5.392,28 14.648,29 42.575,30 7.092,31 4.35,32 4.196,33 4.196,34 1.422,35 32.483,36 4.341,37 1.946,38 13.293,39 4.284,40 140.24,41 140.24,42 3,43 2.864,44 2.864,45 0.869,46 6,47 1.663,48 0.174,49 4.394,50 5.254,51 2,52 5.3,53 5.089,54 2.043,55 4.243,56 0.902,57 5.074,58 275.771,59 122.926,60 9.405,61 9.405,62 4.473,63 157.026,64 4.368,65 9}
{0 CHEMBL64281,1 128.092,2 9.608,3 1,4 1,5 1,6 42.806,8 1,9 42.806,10 12.862,11 1.064,13 0.627,15 23.873,17 6.005,18 1.049,19 6.457,20 6.196,21 4.662,22 5.707,23 3.806,24 18.45,25 0.028,26 0.04,27 4.885,28 11.513,29 22.163,30 5.827,31 4.014,32 4.169,33 4.169,34 1,36 4.076,37 1.402,38 8.943,39 3.903,40 104.095,41 104.095,43 2.763,44 2.763,45 0.798,46 2,47 1.087,48 0.094,49 4.176,50 4.921,51 1.201,52 5.24,53 4.914,54 1.621,55 3.674,56 0.846,57 4.084,58 208.16,59 37.128,60 8.969,61 8.969,62 4.232,63 120.881,64 4.154,65 8.699}
{0 CHEMBL64586,1 128.092,2 8.75,3 1,4 1,5 1,6 42.806,7 1,8 1,9 90.176,10 19.466,11 1.064,13 0.706,15 24.157,17 5.979,18 1.049,19 6.457,20 6.196,21 4.67,22 5.763,23 3.805,24 18.45,25 0.06,26 -0.019,27 4.894,28 11.061,29 21.667,30 5.566,31 3.992,32 4.174,33 4.174,34 1,35 14.473,36 4.04,37 1.363,38 8.609,39 3.887,40 104.095,41 104.095,42 1,43 2.763,44 2.763,45 0.836,46 2,47 1.128,48 0.139,49 4.128,50 4.901,51 1.165,52 5.245,53 4.885,54 1.597,55 3.674,56 0.842,57 3.946,58 214.107,59 43.085,60 8.969,61 8.969,62 4.23,63 153.778,64 4.117,65 8.699}
{0 CHEMBL64739,1 170.775,2 18.596,3 2,4 2,5 2,6 85.489,7 1,8 1,9 99.962,10 21.587,11 1.064,13 0.72,15 23.953,17 5.988,18 1.049,19 6.457,20 6.196,21 4.658,22 5.787,23 3.81,24 18.45,25 0.082,26 -0.028,27 4.873,28 10.879,29 20.675,30 5.48,31 3.97,32 4.171,33 4.171,34 1,35 14.473,36 4.02,37 1.33,38 8.649,39 3.875,40 146.779,41 146.779,42 1,43 2.763,44 2.763,45 0.832,46 2,47 1.191,48 0.162,49 4.099,50 4.876,51 1.158,52 5.242,53 4.879,54 1.528,55 3.674,56 0.844,57 3.898,58 209.652,59 46.403,60 8.969,61 8.969,62 4.204,63 163.564,64 4.098,65 8.523}
{0 CHEMBL88520,1 80.711,2 9.277,3 1,4 1,5 1,6 42.806,7 1,8 1,9 111.311,10 20.685,11 1.736,13 0.601,15 64.668,17 6.735,18 1.431,19 6.313,20 5.546,21 5.579,22 6.709,23 4.517,24 17.622,25 -0.009,26 -0.025,27 5.814,28 17.615,29 58.85,30 5.621,31 4.596,32 4.094,33 4.094,34 1.089,35 68.505,36 4.447,37 2.434,38 17.838,39 4.527,40 154.385,41 154.385,42 4,43 2.599,44 2.599,45 0.894,46 2,47 1.161,48 0.158,49 4.508,50 5.551,51 1.109,52 5.155,53 4.984,54 1.794,55 4.472,56 0.908,57 3.878,58 236.822,59 214.509,60 7.308,61 7.308,62 4.401,63 154.385,64 4.342,65 7.921}
{0 CHEMBL91636,1 42.806,2 9.31,3 1,4 1,5 1,6 53.806,7 1,8 1,9 111.311,10 23.485,11 1.074,13 0.58,15 74.662,17 6.795,18 1.431,19 6.439,20 6,21 5.716,22 6.828,23 4.548,24 17.62,25 -0.002,26 -0.034,27 5.952,28 17.681,29 74.858,30 6.487,31 4.626,32 4.092,33 4.092,34 1.438,35 68.505,36 4.496,37 2.427,38 18.945,39 4.554,40 190.53,41 190.53,42 5,43 2.729,44 2.729,45 0.816,46 7,47 1.751,48 0.204,49 4.553,50 5.656,51 1.512,52 5.196,53 4.82,54 1.966,55 4.359,56 0.968,57 4.501,58 242.76,59 304.84,60 8.492,61 8.492,62 4.559,63 190.53,64 4.429,65 8.377}