"molecule_id","nN","nTriazoles","nArX","SpMin1_Bh.e.","CATS2D_02_DL","CATS2D_01_AA","Eta_betaP","nArNHR","SpMax3_Bh.m.","SpMin1_Bh.v.","Eig07_AEA.bo.","X.","P_VSA_LogP_8","P_VSA_p_3","P_VSA_v_3","nX","C.026","P_VSA_LogP_6","nAB","nBM","Uc","Ui","PCD","piPC09","SssNH","MATS7m","N.070","P_VSA_m_2","P_VSA_LogP_5","SsCl","Eig07_EA.bo.","piID","MATS4i","SpMax4_Bh.m.","JGI4","P_VSA_e_3","CATS2D_04_DA","NaasN","SaasN","GGI7","ATS8m","P_VSA_MR_6","NaasC","IC1","Eta_F_A","P_VSA_i_4","Eig06_AEA.bo.","ATS7m","ZM1MulPer","ZM1V","CATS2D_05_DD","Eta_FL","Eig04_AEA.ri.","SpMax4_Bh.v.","StN","IC2","MATS6e","P_VSA_MR_7","piPC05","SM04_EA.bo.","SpMin1_Bh.p.","SsF","F.084","D.Dtr10","piPC03","GATS7v","pXC50"
{1 5,3 2,4 2.053,5 3,7 22,8 1,9 3.741,10 2.13,11 3.364,12 3.1,13 78.297,14 238.119,15 238.119,16 2,17 6,19 17,20 19,21 4.322,22 3.644,23 3.934,24 8.125,25 3.284,26 -0.009,28 231.926,29 120.456,30 12.622,31 2.618,32 12.122,33 -0.036,34 3.622,35 0.048,36 72.104,37 3,40 0.833,41 4.3,42 116.615,43 8,44 3.784,45 1.058,46 72.104,47 3.619,48 4.368,49 590.836,50 552,52 9.145,53 3.539,54 3.558,55 9.759,56 4.83,57 -0.038,58 114.035,59 6.363,60 7.443,61 2.139,64 171.585,65 5.137,66 0.942,67 5}
{0 CHEMBL1089082,1 5,4 1.976,5 3,6 1,7 28,9 3.82,10 2.085,11 3.238,12 6,13 7.76,14 176.049,15 176.049,16 3,17 1,18 2.757,19 28,20 29,21 4.907,22 4,23 5.349,24 8.195,25 2.668,26 -0.072,28 245.458,29 91.442,31 2.56,32 13.841,33 -0.091,34 3.714,35 0.034,36 69.409,40 0.496,41 3.933,42 136.675,43 7,44 3.286,45 1.256,46 114.289,47 3.56,48 3.946,49 639.389,50 594,52 10.288,53 3.737,54 3.653,56 4.378,57 0.219,58 50.234,59 6.497,60 7.584,61 2.103,62 38.965,65 5.272,66 1.085,67 4.301}
{0 CHEMBL1765781,1 7,4 1.925,5 3,7 19,8 1,9 3.75,10 2.037,11 3.289,14 127.859,15 127.859,17 1,18 14.099,19 12,20 16,21 4.087,22 3.459,23 2.768,24 6.971,25 8.358,26 0.094,27 1,28 221.711,29 36.228,31 2.354,32 11.092,33 -0.072,34 3.672,35 0.033,36 93.852,37 1,40 0.517,41 3.92,42 79.338,43 4,44 3.784,45 0.991,46 93.852,47 3.574,48 4.033,49 492.275,50 462,52 8.33,53 3.596,54 3.58,56 4.87,57 0.138,58 63.815,59 5.922,60 7.174,61 2.051,65 4.952,66 0.978,67 6}
{0 CHEMBL1808569,1 7,4 2.01,5 5,7 22,9 3.844,10 2.087,11 3.306,14 140.753,15 140.753,18 4.288,19 26,20 26,21 4.755,22 3.807,23 5.219,24 8.632,25 3.409,26 -0.007,28 245.57,29 78.069,31 2.399,32 14.433,33 -0.042,34 3.699,35 0.033,36 104.818,37 2,40 0.538,41 4.004,42 79.647,43 7,44 3.693,45 0.963,46 104.818,47 3.532,48 4.135,49 453.343,50 430,52 8.627,53 3.553,54 3.669,56 5.064,57 0.021,58 50.234,59 6.606,60 7.647,61 2.085,65 5.341,66 0.996,67 5.495}
{0 CHEMBL1808570,1 6,4 2.01,5 5,7 22,9 3.842,10 2.087,11 3.142,14 138.192,15 138.192,18 4.288,19 26,20 26,21 4.755,22 3.807,23 5.186,24 8.592,25 3.393,26 0.009,28 239.885,29 78.131,31 2.439,32 13.742,33 -0.176,34 3.457,35 0.04,36 101.693,37 2,40 0.51,41 3.814,42 73.356,43 8,44 3.714,45 0.999,46 101.693,47 3.49,48 3.927,49 412.603,50 390,52 8.183,53 3.527,54 3.409,56 4.822,57 -0.122,58 50.234,59 6.592,60 7.646,61 2.085,65 5.307,66 0.99,67 6.62}
{0 CHEMBL1808571,1 6,4 2.01,5 5,7 22,9 3.84,10 2.087,11 3.034,14 135.657,15 135.657,18 4.288,19 26,20 26,21 4.755,22 3.807,23 5.179,24 8.544,25 3.389,26 -0.002,28 237.351,29 74.945,31 2.301,32 13.637,33 -0.105,34 3.427,35 0.038,36 101.693,37 2,40 0.448,41 3.734,42 79.647,43 7,44 3.771,45 1.007,46 101.693,47 3.42,48 3.882,49 404.006,50 382,52 8.127,53 3.428,54 3.381,56 4.907,57 -0.094,58 50.234,59 6.557,60 7.607,61 2.085,65 5.277,66 0.991,67 6.379}
{0 CHEMBL1808572,1 6,4 2.01,5 5,7 22,9 3.838,10 2.087,11 3.032,14 133.123,15 133.123,18 4.288,19 26,20 26,21 4.755,22 3.807,23 5.169,24 8.492,25 3.385,26 -0.045,28 234.816,29 71.76,31 2.298,32 13.52,33 -0.086,34 3.412,35 0.035,36 101.693,37 2,40 0.385,41 3.649,42 85.937,43 6,44 3.787,45 1.012,46 101.693,47 3.047,48 3.834,49 395.085,50 374,52 8.086,53 3.407,54 3.365,56 4.905,57 -0.04,58 50.234,59 6.52,60 7.57,61 2.085,65 5.254,66 1.019,67 6.963}
{0 CHEMBL1808573,1 6,3 1,4 2.01,5 5,7 22,9 3.962,10 2.087,11 3.034,12 2,13 45.954,14 172.656,15 172.656,16 1,17 1,18 4.288,19 26,20 26,21 4.755,22 3.807,23 5.179,24 8.544,25 3.386,26 0.046,28 228.395,29 74.815,31 2.301,32 13.637,33 -0.101,34 3.833,35 0.038,36 147.647,37 2,40 0.448,41 4.081,42 79.516,43 7,44 3.957,45 0.957,46 101.693,47 3.42,48 4.102,49 457.242,50 430,52 7.887,53 3.419,54 3.369,56 5.025,57 -0.055,58 50.234,59 6.557,60 7.607,61 2.085,65 5.277,66 0.968,67 5.948}
{0 CHEMBL1808574,1 6,3 1,4 2.01,5 5,7 22,9 3.851,10 2.087,11 3.142,12 1.9,13 39.149,14 168.83,15 168.83,16 1,17 1,18 4.288,19 26,20 26,21 4.755,22 3.807,23 5.186,24 8.592,25 3.384,26 0.065,28 231.375,29 78.446,30 6.285,31 2.439,32 13.742,33 -0.119,34 3.633,35 0.04,36 101.693,37 2,40 0.51,41 3.931,42 73.671,43 8,44 3.924,45 1.003,46 101.693,47 3.49,48 4.002,49 465.986,50 438,52 8.215,53 3.496,54 3.388,56 5.016,57 -0.073,58 89.383,59 6.592,60 7.646,61 2.085,65 5.307,66 0.963,67 5.761}
{0 CHEMBL1808575,1 6,4 2.01,5 5,7 22,9 3.844,10 2.087,11 3.04,14 153.308,15 153.308,18 4.288,19 26,20 26,21 4.755,22 3.807,23 5.197,24 8.623,25 3.399,26 -0.143,28 255.001,29 74.945,31 2.302,32 13.924,33 -0.059,34 3.584,35 0.039,36 101.693,37 2,40 0.542,41 3.884,42 79.647,43 7,44 3.664,45 0.987,46 101.693,47 3.562,48 3.973,49 424.147,50 400,52 8.027,53 3.818,54 3.563,56 4.77,57 -0.117,58 50.234,59 6.599,60 7.665,61 2.085,65 5.322,66 1.051,67 5.7}
{0 CHEMBL1808576,1 6,4 2.01,5 5,7 22,9 3.842,10 2.087,11 3.157,14 149.075,15 149.075,18 4.288,19 26,20 26,21 4.755,22 3.807,23 5.201,24 8.604,25 3.395,26 0.03,28 250.768,29 74.945,31 2.301,32 14.004,33 -0.078,34 3.526,35 0.037,36 101.693,37 2,40 0.566,41 3.938,42 79.647,43 7,44 3.774,45 0.996,46 101.693,47 3.475,48 4.057,49 456.276,50 432,52 8.54,53 3.453,54 3.466,56 5.05,57 0.022,58 50.234,59 6.586,60 7.629,61 2.085,65 5.307,66 0.984,67 5.836}
{0 CHEMBL1808577,1 7,4 2.01,5 5,7 25,9 3.841,10 2.087,11 3.036,14 143.434,15 143.434,18 4.288,19 26,20 27,21 4.807,22 4,23 5.368,24 8.623,25 3.373,26 -0.017,28 276.187,29 106.004,31 2.301,32 13.924,33 -0.104,34 3.46,35 0.037,36 132.753,37 2,40 0.448,41 3.781,42 96.248,43 7,44 4.018,45 1.079,46 132.753,47 3.532,48 3.902,49 449.064,50 422,52 8.801,53 3.443,54 3.388,55 9.143,56 5.065,57 0.008,58 50.234,59 6.599,60 7.633,61 2.085,65 5.322,66 1.013,67 5.574}
{0 CHEMBL1808578,1 7,3 1,4 2.01,5 5,7 25,9 3.843,10 2.087,11 3.3,12 1.9,14 143.079,15 143.079,16 1,17 1,18 19.248,19 26,20 27,21 4.807,22 4,23 5.358,24 8.669,25 3.351,26 0.034,28 275.831,29 115.125,31 2.488,32 14.004,33 -0.036,34 3.484,35 0.038,36 132.753,37 2,40 0.51,41 3.883,42 95.893,43 8,44 4.177,45 1.109,46 147.713,47 3.532,48 3.966,49 511.116,50 478,52 9.02,53 3.54,54 3.391,55 9.084,56 5.179,57 0.013,58 50.234,59 6.633,60 7.672,61 2.085,62 14.011,63 1,65 5.351,66 1.018,67 5.306}
{0 CHEMBL1808579,1 6,3 2,4 2.01,5 5,7 22,9 3.842,10 2.087,11 3.149,12 3.9,14 132.412,15 132.412,16 2,17 2,18 34.209,19 26,20 26,21 4.755,22 3.807,23 5.202,24 8.599,25 3.337,26 0.071,28 234.106,29 90.002,31 2.447,32 13.759,33 -0.037,34 3.429,35 0.04,36 101.693,37 2,40 0.52,41 3.838,42 85.227,43 8,44 4.04,45 1.069,46 131.614,47 3.46,48 3.993,49 519.259,50 486,52 8.523,53 3.466,54 3.366,56 5.062,57 0.033,58 50.234,59 6.59,60 7.653,61 2.085,62 27.706,63 2,65 5.318,66 1.011,67 4.684}
{0 CHEMBL1808580,1 6,3 2,4 2.01,5 5,7 22,9 3.842,10 2.087,11 3.142,12 3.9,14 132.412,15 132.412,16 2,17 2,18 34.209,19 26,20 26,21 4.755,22 3.807,23 5.186,24 8.592,25 3.34,26 0.054,28 234.106,29 90.002,31 2.439,32 13.742,33 -0.018,34 3.44,35 0.04,36 101.693,37 2,40 0.51,41 3.869,42 85.227,43 8,44 4.04,45 1.066,46 131.614,47 3.49,48 3.965,49 519.369,50 486,52 8.508,53 3.492,54 3.367,56 5.062,57 -0.021,58 50.234,59 6.592,60 7.646,61 2.085,62 27.168,63 2,65 5.307,66 1.026,67 4.67}
{0 CHEMBL1808581,1 6,3 2,4 2.01,5 5,7 22,9 3.854,10 2.087,11 3.149,12 3.9,13 78.297,14 199.469,15 199.469,16 2,17 2,18 4.288,19 26,20 26,21 4.755,22 3.807,23 5.202,24 8.599,25 3.374,26 0.101,28 222.865,29 78.761,30 12.485,31 2.447,32 13.759,33 -0.094,34 3.645,35 0.04,36 101.693,37 2,40 0.52,41 3.984,42 73.986,43 8,44 4.04,45 1.008,46 101.693,47 3.46,48 4.12,49 519.259,50 486,52 8.261,53 3.454,54 3.369,56 5.062,57 0.025,58 128.531,59 6.59,60 7.653,61 2.085,65 5.318,66 0.95,67 4.988}
{0 CHEMBL1808582,1 6,4 2.01,5 4,7 18,9 3.734,10 2.087,11 2.863,14 109.024,15 109.024,18 13.915,19 21,20 21,21 4.459,22 3.524,23 3.92,24 8.023,25 3.37,26 0.033,28 210.718,29 78.663,31 2.023,32 11.454,33 -0.109,34 3.398,35 0.031,36 101.693,37 2,40 0.324,41 3.38,42 54.936,43 6,44 3.867,45 0.94,46 101.693,47 2.995,48 3.557,49 342.564,50 324,52 6.874,53 3.29,54 3.349,56 4.98,57 -0.052,58 50.234,59 6.187,60 7.309,61 2.085,65 5.016,66 1.015,67 4.602}
{0 CHEMBL1808583,1 8,4 2.009,5 4,6 1,7 18,9 3.69,10 2.086,11 2.863,14 90.929,15 90.929,18 2.144,19 21,20 21,21 4.459,22 3.524,23 3.92,24 8.023,25 3.355,26 0.047,28 225.459,29 71.698,31 2.023,32 11.454,33 -0.074,34 3.397,35 0.031,36 134.529,37 4,40 0.324,41 3.392,42 45.888,43 6,44 3.977,45 0.937,46 134.529,47 2.995,48 3.566,49 378.65,50 356,51 1,52 6.836,53 3.295,54 3.338,56 4.955,57 -0.087,58 83.315,59 6.187,60 7.309,61 2.084,65 5.016,66 1.036,67 4}
{0 CHEMBL1808584,1 6,4 2.01,5 5,7 18,9 3.823,10 2.087,11 2.933,14 106.581,15 106.581,18 4.901,19 21,20 21,21 4.459,22 3.524,23 4.112,24 8.249,25 3.396,26 -0.116,28 208.274,29 72.372,31 2.112,32 12.463,33 -0.054,34 3.409,35 0.035,36 101.693,37 2,40 0.385,41 3.672,42 48.645,43 8,44 3.814,45 0.882,46 101.693,47 2.996,48 3.853,49 373.205,50 354,52 6.868,53 3.407,54 3.366,56 5.086,57 -0.065,58 50.234,59 6.338,60 7.433,61 2.085,65 5.137,66 1.062,67 4.42}
{0 CHEMBL1808585,1 7,4 2.01,5 4,7 22,9 3.837,10 2.087,11 3.032,14 122.789,15 122.789,18 4.288,19 26,20 26,21 4.755,22 3.807,23 5.169,24 8.492,25 3.38,26 -0.018,28 241.268,29 89.854,31 2.298,32 13.52,33 -0.067,34 3.409,35 0.035,36 118.479,37 2,40 0.385,41 3.651,42 57.509,43 6,44 3.869,45 1.021,46 118.479,47 3.047,48 3.842,49 412.325,50 390,52 8.167,53 3.407,54 3.36,56 5.014,57 0.013,58 67.02,59 6.52,60 7.57,61 2.085,65 5.254,66 1.035,67 4.548}
{0 CHEMBL1808586,1 6,4 2.01,5 5,7 18,9 3.807,10 2.087,11 2.995,14 125.453,15 125.453,18 4.901,19 21,20 21,21 4.459,22 3.524,23 4.053,24 8.2,25 3.394,26 0.025,28 227.146,29 72.372,31 2.193,32 12.081,33 -0.041,34 3.436,35 0.037,36 101.693,37 2,40 0.501,41 3.783,42 48.645,43 8,44 3.674,45 0.888,46 101.693,47 3.146,48 3.885,49 374.914,50 354,52 6.93,53 3.409,54 3.437,56 4.927,57 -0.132,58 50.234,59 6.306,60 7.431,61 2.085,65 5.113,66 0.964,67 4.728}
{0 CHEMBL1808587,1 6,4 2.01,5 5,7 24,9 3.842,10 2.087,11 2.996,14 155.835,15 155.835,18 4.901,19 27,20 27,21 4.807,22 3.858,23 5.098,24 8.421,25 3.394,26 -0.023,28 257.528,29 75.558,31 2.201,32 13.564,33 -0.103,34 3.64,35 0.034,36 101.693,37 2,40 0.461,41 3.862,42 99.212,43 9,44 3.74,45 1.043,46 101.693,47 3.425,48 3.963,49 422.689,50 400,52 8.817,53 3.447,54 3.587,56 4.827,57 -0.067,58 50.234,59 6.487,60 7.569,61 2.085,65 5.273,66 0.996,67 5.523}
{0 CHEMBL1808588,1 6,3 1,4 2.01,5 4,7 24,9 3.846,10 2.087,11 3.081,12 1.8,14 152.945,15 152.945,16 1,17 1,18 28.875,19 27,20 27,21 4.807,22 3.858,23 5.177,24 8.394,25 3.369,26 0.031,28 254.639,29 84.679,31 2.345,32 13.689,33 -0.127,34 3.649,35 0.034,36 101.693,37 2,40 0.451,41 3.878,42 105.147,43 9,44 3.898,45 1.07,46 116.653,47 3.489,48 3.935,49 476.348,50 448,52 8.951,53 3.473,54 3.561,56 5.106,57 0.027,58 50.234,59 6.472,60 7.564,61 2.085,62 13.612,63 1,65 5.265,66 0.963,67 5.347}
{0 CHEMBL1808589,1 6,4 2.01,5 4,7 22,9 3.838,10 2.087,11 3.032,14 124.298,15 124.298,18 4.288,19 26,20 26,21 4.755,22 3.807,23 5.181,24 8.496,25 3.222,26 -0.025,28 225.991,29 71.76,31 2.298,32 13.601,33 -0.067,34 3.441,35 0.034,36 101.693,37 2,40 0.401,41 3.726,42 85.937,43 6,44 3.941,45 1.029,46 101.693,47 3.047,48 3.922,49 425.26,50 402,52 8.397,53 3.408,54 3.373,56 5,57 -0.013,58 50.234,59 6.522,60 7.573,61 2.085,65 5.259,66 1.025,67 7.328}
{0 CHEMBL1808590,1 6,4 2.01,5 5,7 22,9 3.84,10 2.088,11 3.046,14 141.948,15 141.948,18 4.288,19 26,20 26,21 4.755,22 3.807,23 5.19,24 8.499,25 3.522,26 -0.068,28 243.641,29 71.76,31 2.298,32 13.677,33 0.053,34 3.549,35 0.033,36 101.693,37 2,40 0.424,41 3.788,42 85.937,43 6,44 3.759,45 0.983,46 101.693,47 3.223,48 3.974,49 406.37,50 384,52 8.055,53 3.413,54 3.548,56 4.922,57 0.017,58 50.234,59 6.523,60 7.584,61 2.086,65 5.264,66 1.068,67 4.796}
{0 CHEMBL1808591,1 6,3 1,4 1.998,5 5,7 22,9 3.918,10 2.07,11 3.032,12 2.1,13 39.149,14 163.761,15 163.761,16 1,17 1,18 4.288,19 26,20 26,21 4.755,22 3.807,23 5.169,24 8.492,25 3.301,26 -0.11,28 226.306,29 72.075,30 6.692,31 2.298,32 13.52,33 0.033,34 3.418,35 0.035,36 101.693,37 2,40 0.385,41 3.743,42 86.252,43 6,44 3.906,45 1.016,46 101.693,47 3.047,48 3.96,49 448.665,50 422,52 8.117,53 3.399,54 3.364,56 4.868,57 -0.17,58 89.383,59 6.52,60 7.57,61 2.069,65 5.254,66 1.035,67 5.033}
{0 CHEMBL1808592,1 6,4 2.004,5 4,7 22.5,8 1,9 3.828,10 2.082,11 3.032,14 128.054,15 128.054,17 1,18 4.288,19 26,20 26,21 4.755,22 3.807,23 5.139,24 8.477,25 3.194,26 -0.06,27 1,28 229.747,29 71.331,31 2.298,32 13.335,33 -0.142,34 3.352,35 0.036,36 101.693,37 1,40 0.358,41 3.516,42 93.905,43 6,44 3.793,45 1.053,46 101.693,47 3.046,48 3.711,49 386.971,50 366,52 8.092,53 3.386,54 3.3,56 4.71,57 0.002,58 68.245,59 6.507,60 7.564,61 2.081,65 5.243,66 1.047,67 4}
{0 CHEMBL1808593,1 6,4 2.007,5 4,7 23.5,9 3.848,10 2.081,11 3.046,14 124.791,15 124.791,18 4.288,19 26,20 27,21 4.807,22 3.907,23 5.244,24 8.512,26 -0.11,28 241.371,29 71.76,31 2.319,32 13.52,33 -0.13,34 3.382,35 0.034,36 116.58,37 2,40 0.373,41 3.58,42 90.642,43 6,44 3.83,45 1.11,46 116.58,47 3.222,48 3.771,49 437.791,50 410,52 8.419,53 3.543,54 3.312,56 4.677,57 -0.027,58 50.234,59 6.534,60 7.601,61 2.081,65 5.274,66 1.039,67 4}
{0 CHEMBL1808594,1 5,4 2.009,5 3,7 22,9 3.825,10 2.084,11 3.032,14 128.911,15 128.911,18 4.288,19 26,20 26,21 4.755,22 3.807,23 5.119,24 8.458,26 -0.018,28 212.594,29 71.76,31 2.298,32 13.227,33 -0.105,34 3.347,35 0.037,36 83.683,37 1,40 0.342,41 3.428,42 85.937,43 6,44 3.62,45 1.018,46 83.683,47 3.046,48 3.643,49 370.36,50 350,52 7.695,53 3.357,54 3.303,56 4.423,57 -0.011,58 50.234,59 6.493,60 7.557,61 2.081,65 5.227,66 0.999,67 4}
{0 CHEMBL1808595,1 5,4 2,5 4,7 22.5,9 3.815,10 2.074,11 3.032,14 116.901,15 116.901,17 1,18 4.288,19 26,20 26,21 4.755,22 3.807,23 5.119,24 8.458,26 -0.061,28 200.583,29 68.574,31 2.298,32 13.227,33 -0.11,34 3.341,35 0.037,36 83.683,37 1,40 0.342,41 3.452,42 82.752,43 6,44 3.823,45 1.065,46 83.683,47 3.046,48 3.651,49 397.947,50 374,52 7.894,53 3.342,54 3.29,56 4.616,57 -0.091,58 50.234,59 6.493,60 7.557,61 2.074,65 5.227,66 1.022,67 4}
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{0 CHEMBL1836712,1 2,3 1,4 1.906,7 16,9 3.838,10 1.975,11 2.644,12 3.3,13 45.954,14 178.872,15 178.872,16 1,17 1,18 3.226,19 16,20 17,21 4.17,22 3.322,23 3.246,24 7.569,26 -0.149,28 102.991,29 17.003,31 1.712,32 10.123,33 -0.121,34 3.643,35 0.042,36 79.525,40 0.3,41 3.364,42 57.758,43 4,44 3.87,45 0.781,46 33.571,47 3.016,48 3.698,49 432.821,50 402,52 5.185,53 3.122,54 3.113,56 4.32,57 -0.013,58 33.571,59 5.965,60 7.09,61 1.958,65 4.744,66 1.1,67 5.319}
{0 CHEMBL1836713,1 2,3 1,4 1.902,7 16,9 3.738,10 1.985,11 2.644,12 3.3,14 138.983,15 138.983,16 1,17 1,18 18.186,19 16,20 17,21 4.17,22 3.322,23 3.246,24 7.569,26 -0.267,28 109.057,29 23.069,31 1.712,32 10.123,33 -0.003,34 3.351,35 0.042,36 33.571,40 0.3,41 2.886,42 63.824,43 4,44 3.87,45 0.88,46 48.531,47 3.016,48 3.395,49 432.821,50 402,52 5.587,53 3.156,54 3.102,56 4.32,57 -0.003,58 33.571,59 5.965,60 7.09,61 1.978,62 12.969,63 1,65 4.744,66 1.105,67 5.092}
{0 CHEMBL1836714,1 2,3 1,4 1.905,7 16,9 3.8,10 1.978,11 2.644,12 3.3,13 39.149,14 172.512,15 172.512,16 1,17 1,18 3.226,19 16,20 17,21 4.17,22 3.322,23 3.246,24 7.569,26 -0.248,28 103.437,29 17.449,30 5.896,31 1.712,32 10.123,33 -0.095,34 3.398,35 0.042,36 33.571,40 0.3,41 3.039,42 58.203,43 4,44 3.87,45 0.846,46 33.571,47 3.016,48 3.486,49 432.821,50 402,52 5.456,53 3.131,54 3.109,56 4.32,57 -0.009,58 72.72,59 5.965,60 7.09,61 1.962,65 4.744,66 1.102,67 5.921}
{0 CHEMBL1836715,1 2,4 1.933,7 16,9 3.74,10 2.017,11 2.644,14 141.873,15 141.873,18 3.226,19 16,20 17,21 4.17,22 3.322,23 3.246,24 7.569,26 -0.417,28 111.947,29 17.134,31 1.712,32 10.123,33 -0.08,34 3.354,35 0.042,36 33.571,40 0.3,41 2.844,42 57.888,43 4,44 3.81,45 0.841,46 33.571,47 3.016,48 3.385,49 379.585,50 354,52 5.424,53 3.176,54 3.149,56 4.367,57 -0.005,58 33.571,59 5.965,60 7.09,61 1.998,65 4.744,66 1.233,67 5.77}
{0 CHEMBL1836716,1 2,4 1.933,7 16,9 3.738,10 2.017,11 2.743,14 141.873,15 141.873,18 3.226,19 16,20 17,21 4.17,22 3.322,23 3.256,24 7.531,26 -0.13,28 111.947,29 17.134,31 1.855,32 10.133,33 -0.032,34 3.351,35 0.043,36 33.571,40 0.278,41 2.978,42 57.888,43 4,44 3.81,45 0.842,46 33.571,47 3.002,48 3.374,49 379.65,50 354,52 5.424,53 3.144,54 3.13,56 4.488,57 -0.017,58 33.571,59 5.965,60 7.09,61 1.998,65 4.744,66 1.075,67 5.456}
{0 CHEMBL1836717,1 3,4 1.925,7 19,9 3.753,10 1.997,11 2.939,14 149.65,15 149.65,18 3.226,19 16,20 18,21 4.248,22 3.585,23 3.464,24 7.701,26 -0.223,28 150.783,29 48.193,31 1.797,32 10.45,33 -0.095,34 3.363,35 0.04,36 64.63,40 0.3,41 2.95,42 74.49,43 4,44 3.95,45 0.931,46 64.63,47 3.135,48 3.493,49 424.643,50 394,52 6.098,53 3.19,54 3.165,55 8.837,56 4.386,57 -0.029,58 33.571,59 6.016,60 7.134,61 1.986,65 4.819,66 1.113,67 5.959}
{0 CHEMBL1836718,1 2,4 1.905,7 16.5,9 3.737,10 1.99,11 2.663,14 145.989,15 145.989,17 1,18 3.226,19 16,20 17,21 4.17,22 3.322,23 3.259,24 7.615,26 -0.226,28 116.063,29 30.192,31 1.738,32 10.244,33 -0.126,34 3.354,35 0.04,36 33.571,40 0.3,41 3.015,42 70.829,43 4,44 3.89,45 0.884,46 33.571,47 3.026,48 3.503,49 417.03,50 390,52 5.868,53 3.184,54 3.124,56 4.43,57 0.064,58 33.571,59 5.983,60 7.102,61 1.984,65 4.77,66 1.068,67 5.77}
{0 CHEMBL1836719,1 2,4 1.909,7 16.5,9 3.807,10 1.979,11 2.663,14 170.823,15 170.823,17 1,18 3.226,19 16,20 17,21 4.17,22 3.322,23 3.259,24 7.615,26 -0.221,28 108.677,29 15.499,31 1.738,32 10.244,33 -0.183,34 3.463,35 0.04,36 33.571,40 0.3,41 3.148,42 63.444,43 4,44 3.831,45 0.82,46 33.571,47 3.026,48 3.583,49 417.03,50 390,52 5.313,53 3.18,54 3.154,56 4.43,57 0.06,58 33.571,59 5.983,60 7.102,61 1.959,65 4.77,66 1.059,67 4.469}
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{0 CHEMBL1945559,1 4,3 2,4 1.967,5 5,7 12.5,9 3.641,10 2.082,11 2.889,12 5,13 78.297,14 153.894,15 153.894,16 2,17 2,18 4.901,19 10,20 12,21 3.7,22 3.17,23 2.325,24 7.617,25 6.421,26 -0.065,28 144.576,29 45.718,30 12.542,31 1.819,32 9.944,33 -0.087,34 3.403,35 0.055,36 68.98,37 1,38 1,39 1.756,40 0.309,41 3.24,42 66.316,43 4,44 3.896,45 0.875,46 68.98,47 3.357,48 3.716,49 436.531,50 404,52 5.242,53 3.309,54 3.189,55 9.944,56 4.603,57 -0.002,58 78.297,59 6.186,60 7.23,61 2.082,65 4.906,66 1.238,67 5}
{0 CHEMBL1957190,1 1,4 1.913,7 13,9 3.461,10 2.032,11 2.803,14 91.682,15 91.682,18 5.513,19 11,20 13,21 3.807,22 3.087,23 2.43,24 7.585,26 -0.339,28 93.581,29 14.641,31 1.894,32 9.944,33 0.042,34 3.281,35 0.052,36 1.899,38 1,39 2.214,40 0.13,41 1.483,42 66.428,43 6,44 3.193,45 0.839,46 1.899,47 2.984,48 2.813,49 303.128,50 284,52 4.716,53 3.081,54 3.268,56 4.208,57 -0.112,59 6.142,60 7.104,61 2.03,65 4.857,66 1.179,67 4.456}
{0 CHEMBL196771,1 5,3 2,4 2.024,5 7,7 26,8 2,9 3.85,10 2.122,11 3.26,12 4,13 39.149,14 202.042,15 202.042,16 2,17 4,18 17.288,19 23,20 24,21 4.644,22 3.858,23 4.193,24 7.983,25 6.654,26 0.115,27 1,28 263.546,29 96.388,30 5.916,31 2.494,32 12.042,33 0.029,34 3.523,35 0.043,36 100.652,37 2,40 0.681,41 4.076,42 131.295,43 7,44 3.842,45 1.135,46 115.612,47 3.535,48 4.139,49 513.936,50 478,51 1,52 8.866,53 3.448,54 3.447,55 9.609,56 4.763,57 -0.051,58 90.73,59 6.328,60 7.428,61 2.137,62 13.545,63 1,64 140.419,65 5.118,66 0.95,67 4.398}
{0 CHEMBL196918,1 6,4 2.024,5 5,7 27.5,8 2,9 3.746,10 2.121,11 3.501,14 174.315,15 174.315,17 2,18 2.328,19 23,20 25,21 4.7,22 3.954,23 4.474,24 8,25 6.734,26 -0.084,27 1,28 278.092,29 90.077,31 2.523,32 12.932,33 -0.038,34 3.691,35 0.037,36 103.776,37 2,40 0.451,41 3.925,42 136.469,43 6,44 3.708,45 1.148,46 103.776,47 3.523,48 4.031,49 527.665,50 496,51 1,52 10.227,53 3.445,54 3.608,55 9.732,56 4.535,57 0.029,58 51.582,59 6.386,60 7.464,61 2.136,64 174.568,65 5.198,66 1.045,67 5.337}
{0 CHEMBL196919,1 6,3 2,4 2.024,5 6,7 26,8 2,9 3.86,10 2.123,11 3.501,12 3.3,13 39.149,14 206.185,15 206.185,16 2,17 4,18 17.288,19 23,20 24,21 4.644,22 3.858,23 3.971,24 8.041,25 6.798,26 0.022,27 1,28 270.812,29 99.513,30 5.969,31 2.563,32 12.209,33 -0.068,34 3.653,35 0.04,36 103.776,37 2,40 0.701,41 4.358,42 131.295,43 7,44 3.917,45 1.144,46 118.736,47 3.535,48 4.432,49 592.368,50 554,51 1,52 9.934,53 3.452,54 3.579,55 9.737,56 4.827,57 -0.04,58 90.73,59 6.367,60 7.468,61 2.138,62 13.669,63 1,64 168.777,65 5.176,66 1.029,67 5.745}
{0 CHEMBL196959,1 6,3 1,4 2.021,5 5,7 20,8 2,9 3.693,10 2.119,11 3.246,12 2,13 39.149,14 158.079,15 158.079,16 1,17 3,18 2.328,19 17,20 18,21 4.248,22 3.524,23 3.417,24 7.784,25 6.7,26 -0.057,27 1,28 222.706,29 87.206,30 5.977,31 2.476,32 11.132,33 -0.068,34 3.522,35 0.042,36 103.776,37 2,40 0.403,41 3.861,42 81.084,43 5,44 3.798,45 0.998,46 103.776,47 3.458,48 3.915,49 460.504,50 432,51 1,52 7.821,53 3.408,54 3.42,55 9.557,56 4.572,57 -0.042,58 90.73,59 6.153,60 7.221,61 2.134,64 130.773,65 4.929,66 1.021,67 4.398}
{0 CHEMBL197006,1 6,3 2,4 2.02,5 4,7 20,8 2,9 3.693,10 2.118,11 3.293,12 4,13 39.149,14 157.724,15 157.724,16 2,17 4,18 17.288,19 17,20 18,21 4.248,22 3.524,23 3.478,24 7.819,25 6.331,26 -0.047,27 1,28 222.351,29 96.327,30 5.842,31 2.5,32 11.28,33 -0.069,34 3.524,35 0.042,36 103.776,37 2,40 0.484,41 3.935,42 80.728,43 6,44 3.953,45 1.032,46 118.736,47 3.482,48 4.041,49 522.557,50 488,51 1,52 8.04,53 3.416,54 3.42,55 9.532,56 4.724,57 -0.045,58 90.73,59 6.184,60 7.278,61 2.134,62 14.311,63 1,64 134.885,65 4.972,66 1.007,67 5}
{0 CHEMBL197164,1 6,3 2,4 2.02,5 5,7 20,8 2,9 3.693,10 2.118,11 3.26,12 4,13 78.297,14 191.252,15 191.252,16 2,17 4,18 2.328,19 17,20 18,21 4.248,22 3.524,23 3.451,24 7.823,25 6.645,26 0.025,27 1,28 216.731,29 90.707,30 12.151,31 2.485,32 11.253,33 -0.073,34 3.523,35 0.043,36 103.776,37 2,40 0.488,41 4.102,42 75.108,43 6,44 3.873,45 0.997,46 103.776,47 3.501,48 4.121,49 522.631,50 488,51 1,52 7.909,53 3.42,54 3.42,55 9.585,56 4.644,57 -0.039,58 129.879,59 6.179,60 7.278,61 2.134,64 135.952,65 4.972,66 0.932,67 5}
{0 CHEMBL197382,1 5,3 2,4 2.024,5 7,7 26,8 2,9 3.85,10 2.122,11 3.26,12 4,13 39.149,14 202.042,15 202.042,16 2,17 4,18 17.288,19 23,20 24,21 4.644,22 3.858,23 4.193,24 7.983,25 6.654,26 0.115,27 1,28 263.546,29 96.388,30 5.916,31 2.494,32 12.042,33 0.029,34 3.523,35 0.043,36 100.652,37 2,40 0.681,41 4.076,42 131.295,43 7,44 3.842,45 1.135,46 115.612,47 3.535,48 4.139,49 513.936,50 478,51 1,52 8.866,53 3.448,54 3.447,55 9.609,56 4.763,57 -0.051,58 90.73,59 6.328,60 7.428,61 2.137,62 13.545,63 1,64 140.419,65 5.118,66 0.95,67 6.383}
{0 CHEMBL197538,1 6,3 2,4 2.02,5 5,7 20,8 2,9 3.693,10 2.118,11 3.26,12 4,13 39.149,14 157.724,15 157.724,16 2,17 4,18 17.288,19 17,20 18,21 4.248,22 3.524,23 3.451,24 7.823,25 6.505,26 0.015,27 1,28 222.351,29 96.327,30 5.894,31 2.485,32 11.253,33 -0.051,34 3.519,35 0.043,36 103.776,37 2,40 0.488,41 4.007,42 80.728,43 6,44 3.953,45 1.027,46 118.736,47 3.501,48 4.075,49 522.631,50 488,51 1,52 8.04,53 3.421,54 3.42,55 9.547,56 4.724,57 -0.04,58 90.73,59 6.179,60 7.278,61 2.134,62 13.493,63 1,64 135.952,65 4.972,66 0.97,67 5.921}
{0 CHEMBL197603,1 9,4 1.939,5 2,6 1,7 26.5,9 3.832,10 2.104,11 3.721,14 168.536,15 168.536,17 2,18 7.229,19 26,20 28,21 4.858,22 4,23 5.103,24 8.307,25 3.02,26 -0.041,28 279.602,29 45.507,31 3.06,32 14.848,33 -0.099,34 3.799,35 0.039,36 111.066,37 3,38 2,39 3.907,40 0.994,41 4.447,42 160.956,43 6,44 3.943,45 1.138,46 111.066,47 3.855,48 4.496,49 673.96,50 634,52 11.208,53 3.84,54 3.727,56 5.183,57 0.033,58 50.234,59 6.704,60 7.812,61 2.103,65 5.509,66 0.992,67 4.602}
{0 CHEMBL197923,1 3,4 1.925,5 3,7 19.5,9 3.822,10 2.028,11 2.886,14 158.238,15 158.238,18 4.115,19 21,20 22,21 4.524,22 3.644,23 3.723,24 7.463,25 2.991,26 -0.069,28 178.297,29 25.607,31 2.037,32 11.115,33 -0.152,34 3.485,35 0.029,36 51.337,40 0.197,41 3.407,42 122.003,43 4,44 3.342,45 0.905,46 51.337,47 2.96,48 3.53,49 370.351,50 348,52 6.9,53 3.327,54 3.362,56 3.927,57 0.118,58 16.663,59 6.073,60 7.24,61 2.012,65 4.954,66 0.944,67 4.699}
{0 CHEMBL198022,1 3,4 1.699,5 2,7 7.5,9 3.167,10 1.84,11 0.533,14 61.289,15 61.289,18 4.115,19 9,20 10,21 3.459,22 2.7,23 1.95,24 4.925,26 -0.67,28 96.234,29 19.236,31 -1.041,32 7.348,33 -0.193,34 2.711,35 0.073,36 66.223,41 0.055,42 20.869,43 2,44 3.747,45 0.644,46 66.223,47 1.779,48 0.791,49 229.328,50 212,52 2.956,53 2.324,54 2.561,56 3.892,57 0.299,58 16.663,59 5.332,60 6.699,61 1.844,65 4.321,66 1.144,67 4.699}
{0 CHEMBL198577,1 6,4 2.022,5 5,7 20,8 2,9 3.693,10 2.12,11 3.315,12 5.7,13 7.76,14 126.375,15 126.375,16 3,17 2,18 2.328,19 17,20 18,21 4.248,22 3.524,23 3.48,24 7.852,25 6.352,26 -0.14,27 1,28 230.151,29 131.771,31 2.505,32 11.436,33 -0.089,34 3.517,35 0.039,36 103.776,37 2,40 0.465,41 3.896,42 80.769,43 5,44 3.897,45 1.092,46 148.657,47 3.501,48 3.939,49 586.922,50 546,51 1,52 8.427,53 3.436,54 3.422,55 9.536,56 4.627,57 0.114,58 51.582,59 6.195,60 7.305,61 2.136,62 38.531,64 150.811,65 4.992,66 1.068,67 4.398}
{0 CHEMBL198581,1 6,3 2,4 2.02,5 6,7 20,8 2,9 3.7,10 2.118,11 3.26,12 3.8,13 39.149,14 160.258,15 160.258,16 2,17 4,18 17.288,19 17,20 18,21 4.248,22 3.524,23 3.442,24 7.812,25 6.528,26 0.103,27 1,28 224.886,29 96.327,30 5.901,31 2.488,32 11.292,33 0.04,34 3.533,35 0.043,36 103.776,37 3,40 0.543,41 4.018,42 80.728,43 6,44 3.939,45 1.004,46 118.736,47 3.516,48 4.084,49 526.793,50 492,51 1,52 8.045,53 3.433,54 3.439,55 9.56,56 4.822,57 -0.047,58 90.73,59 6.181,60 7.282,61 2.134,62 13.507,63 1,64 143.891,65 4.978,66 0.882,67 5.469}
{0 CHEMBL198647,1 5,3 2,4 2.024,5 4,7 26,8 1,9 3.833,10 2.122,11 3.26,12 4.3,13 39.149,14 201.185,15 201.185,16 2,17 4,18 17.288,19 23,20 24,21 4.644,22 3.858,23 4.222,24 7.981,25 3.19,26 -0.002,28 247.802,29 99.513,30 5.907,31 2.5,32 12.024,33 0.074,34 3.534,35 0.048,36 85.765,37 2,40 0.72,41 4.015,42 142.816,43 7,44 3.763,45 1.165,46 100.726,47 3.535,48 4.101,49 514.427,50 478,52 9.086,53 3.441,54 3.439,55 9.586,56 4.618,57 -0.022,58 72.72,59 6.321,60 7.422,61 2.138,62 13.521,63 1,64 133.687,65 5.106,66 0.957,67 4.398}
{0 CHEMBL198739,1 6,4 2.043,5 5,7 29,8 2,9 3.748,10 2.133,11 3.501,14 171.958,15 171.958,17 4,18 2.328,19 23,20 26,21 4.755,22 4.044,23 4.468,24 8.036,25 6.638,26 -0.041,27 1,28 269.688,29 86.807,31 2.542,32 12.971,33 -0.045,34 3.691,35 0.036,36 103.776,37 2,40 0.514,41 4.094,42 128.066,43 6,44 3.735,45 1.207,46 103.776,47 3.599,48 4.113,49 594.034,50 552,51 1,52 10.414,53 3.446,54 3.608,55 9.731,56 4.549,57 0.047,58 57.628,59 6.43,60 7.663,61 2.138,64 181.247,65 5.263,66 1.035,67 4.398}
{0 CHEMBL198904,1 6,3 1,4 2.023,5 5,7 20,8 2,9 3.758,10 2.12,11 3.193,12 1.9,13 45.954,14 166.973,15 166.973,16 1,17 3,18 2.328,19 17,20 18,21 4.248,22 3.524,23 3.486,24 7.808,25 6.834,26 0.015,27 1,28 224.795,29 89.946,31 2.432,32 11.289,33 -0.094,34 3.693,35 0.04,36 149.73,37 2,40 0.451,41 4.234,42 74.347,43 6,44 3.839,45 0.938,46 103.776,47 3.403,48 4.328,49 468.94,50 440,51 1,52 7.622,53 3.418,54 3.42,55 9.649,56 4.77,57 -0.006,58 51.582,59 6.175,60 7.284,61 2.135,64 133.622,65 4.982,66 1.061,67 4.398}
{0 CHEMBL198905,1 6,3 2,4 2.02,5 5,7 20,8 2,9 3.693,10 2.117,11 3.232,12 4,13 78.297,14 191.252,15 191.252,16 2,17 4,18 2.328,19 17,20 18,21 4.248,22 3.524,23 3.459,24 7.812,25 6.631,26 0.06,27 1,28 216.731,29 90.707,30 12.242,31 2.481,32 11.262,33 -0.074,34 3.582,35 0.039,36 103.776,37 2,40 0.455,41 4.125,42 75.108,43 6,44 3.873,45 1,46 103.776,47 3.419,48 4.21,49 522.791,50 488,51 1,52 7.894,53 3.417,54 3.42,55 9.591,56 4.604,57 -0.02,58 129.879,59 6.17,60 7.272,61 2.133,64 134.689,65 4.961,66 0.89,67 5.377}
{0 CHEMBL199000,1 5,3 2,4 2.021,5 7,7 20,8 2,9 3.728,10 2.117,11 3.26,12 4.5,13 39.149,14 150.254,15 150.254,16 2,17 4,18 17.288,19 17,20 18,21 4.248,22 3.524,23 3.486,24 7.868,25 6.644,26 0.08,27 1,28 211.757,29 93.203,30 5.88,31 2.392,32 11.082,33 0.123,34 3.477,35 0.044,36 100.652,37 2,40 0.516,41 3.895,42 80.728,43 6,44 3.913,45 0.991,46 115.612,47 3.342,48 3.983,49 460.759,50 428,51 1,52 6.924,53 3.382,54 3.391,55 9.506,56 4.596,57 -0.095,58 90.73,59 6.174,60 7.266,61 2.133,62 13.444,63 1,64 115.41,65 4.951,66 1.002,67 4.398}
{0 CHEMBL199210,1 6,4 2.021,5 5,7 26.5,8 2,9 3.746,10 2.119,11 3.463,14 198.132,15 198.132,17 4,18 2.328,19 23,20 24,21 4.644,22 3.858,23 4.48,24 7.962,25 6.852,26 -0.034,27 1,28 269.688,29 86.807,31 2.518,32 12.892,33 -0.037,34 3.691,35 0.038,36 103.776,37 2,40 0.451,41 4.001,42 128.066,43 6,44 3.648,45 1.07,46 103.776,47 3.501,48 4.064,49 508.165,50 480,51 1,52 9.684,53 3.431,54 3.608,55 9.739,56 4.489,57 -0.012,58 51.582,59 6.339,60 7.407,61 2.134,64 167.888,65 5.13,66 1.015,67 8.222}
{0 CHEMBL199230,1 5,3 2,4 2.023,5 7,7 26,8 2,9 3.844,10 2.121,11 3.26,12 4.3,13 39.149,14 199.508,15 199.508,16 2,17 4,18 17.288,19 23,20 24,21 4.644,22 3.858,23 4.222,24 7.965,25 6.553,26 0.092,27 1,28 261.011,29 96.388,30 5.9,31 2.492,32 12.024,33 -0.018,34 3.517,35 0.046,36 100.652,37 2,40 0.653,41 4.013,42 131.295,43 7,44 3.798,45 1.147,46 115.612,47 3.534,48 4.094,49 509.968,50 474,51 1,52 8.878,53 3.447,54 3.427,55 9.571,56 4.66,57 -0.041,58 90.73,59 6.315,60 7.422,61 2.136,62 13.512,63 1,64 134.092,65 5.106,66 0.938,67 7.859}
{0 CHEMBL199383,1 3,4 1.924,5 3,7 20,9 3.822,10 2.017,11 2.893,14 162.353,15 162.353,17 1,18 4.115,19 21,20 22,21 4.524,22 3.644,23 3.804,24 7.545,25 2.955,26 -0.329,28 182.412,29 41.85,31 2.042,32 11.329,33 -0.137,34 3.463,35 0.037,36 51.337,40 0.29,41 3.413,42 128.653,43 5,44 3.565,45 0.957,46 51.337,47 3.185,48 3.578,49 412.665,50 388,52 7.36,53 3.332,54 3.302,56 4.247,57 0.079,58 16.663,59 6.133,60 7.296,61 2.011,65 4.999,66 1.146,67 4.699}
{0 CHEMBL199528,1 3,4 1.924,5 2,7 13.5,9 3.605,10 2.013,11 2.612,14 127.427,15 127.427,18 4.115,19 15,20 16,21 4.087,22 3.248,23 2.942,24 7.446,26 -0.18,28 132.599,29 22.422,31 1.624,32 9.85,33 0.024,34 3.387,35 0.033,36 36.45,40 0.284,41 3.046,42 79.832,43 3,44 3.503,45 0.786,46 36.45,47 2.775,48 3.326,49 322.414,50 302,52 5.08,53 2.887,54 3.28,56 4.339,57 0.088,58 16.663,59 5.915,60 7.061,61 2.003,65 4.779,66 1.017,67 4.699}
{0 CHEMBL199755,1 3,4 1.924,5 4,7 13.5,9 3.733,10 2.054,11 2.692,14 115.703,15 115.703,18 4.115,19 15,20 16,21 4.087,22 3.248,23 2.909,24 7.46,25 3.179,26 -0.364,28 135.762,29 22.422,31 1.753,32 10.191,33 0.017,34 3.423,35 0.039,36 51.337,40 0.219,41 3.142,42 71.436,43 3,44 3.424,45 0.725,46 51.337,47 2.871,48 3.403,49 327.837,50 308,52 4.885,53 3.245,54 3.254,56 3.91,57 -0.066,58 16.663,59 5.941,60 7.076,61 2.031,65 4.804,66 1.221,67 4.699}
{0 CHEMBL199951,1 3,4 1.873,5 4,7 7.5,9 3.515,10 2.054,11 2.351,14 73.962,15 73.962,18 4.115,19 9,20 10,21 3.459,22 2.7,23 1.81,24 5.917,25 3.139,26 -0.48,28 94.021,29 19.236,31 1.254,32 8.222,33 0.021,34 3.191,35 0.054,36 51.337,40 0.172,41 2.663,42 20.869,43 2,44 3.217,45 0.534,46 51.337,47 2.516,48 2.938,49 265.007,50 248,52 3.06,53 2.723,54 2.998,56 3.851,57 -0.029,58 16.663,59 5.453,60 6.795,61 2.03,65 4.48,66 1.235,67 4.699}
{0 CHEMBL200247,1 5,3 2,4 2.022,5 6,7 26,8 2,9 3.829,10 2.119,11 3.26,12 4.5,13 39.149,14 192.788,15 192.788,16 2,17 4,18 17.288,19 23,20 24,21 4.644,22 3.858,23 4.253,24 7.937,25 6.444,26 0.014,27 1,28 254.292,29 96.388,30 5.884,31 2.488,32 12.005,33 0.021,34 3.511,35 0.048,36 100.652,37 2,40 0.599,41 3.945,42 131.295,43 7,44 3.719,45 1.145,46 115.612,47 3.534,48 4.032,49 503.447,50 468,51 1,52 8.922,53 3.434,54 3.414,55 9.529,56 4.567,57 -0.092,58 90.73,59 6.294,60 7.403,61 2.135,62 13.475,63 1,64 128.102,65 5.081,66 0.977,67 6.854}
{0 CHEMBL200381,1 6,3 2,4 2.021,5 6,7 26,8 2,9 3.81,10 2.119,11 3.26,12 4.7,13 39.149,14 182.455,15 182.455,16 2,17 4,18 17.288,19 23,20 24,21 4.644,22 3.858,23 4.253,24 7.937,25 6.394,26 0.027,27 1,28 260.743,29 114.483,30 5.879,31 2.488,32 12.005,33 0.095,34 3.509,35 0.048,36 117.437,37 3,40 0.599,41 3.948,42 102.866,43 7,44 3.857,45 1.154,46 132.398,47 3.534,48 4.035,49 520.687,50 484,51 1,52 9.002,53 3.43,54 3.41,55 9.522,56 4.833,57 -0.07,58 107.516,59 6.294,60 7.403,61 2.135,62 13.471,63 1,64 128.102,65 5.081,66 0.986,67 7.301}
{0 CHEMBL200499,1 3,4 1.924,5 3,7 19.5,9 3.822,10 2.02,11 2.862,14 155.703,15 155.703,18 4.115,19 21,20 22,21 4.524,22 3.644,23 3.757,24 7.523,25 2.959,26 -0.303,28 175.762,29 25.607,31 2.008,32 11.095,33 -0.087,34 3.456,35 0.033,36 51.337,40 0.234,41 3.259,42 122.003,43 4,44 3.231,45 0.929,46 51.337,47 2.955,48 3.492,49 366.364,50 344,52 6.876,53 3.312,54 3.295,56 3.758,57 0.043,58 16.663,59 6.08,60 7.236,61 2.008,65 4.947,66 1.08,67 4.699}
{0 CHEMBL200657,1 3,4 1.745,5 2,7 7.5,9 3.464,10 1.95,11 2.074,14 85.685,15 85.685,18 4.115,19 9,20 10,21 3.459,22 2.7,23 1.857,24 5.789,26 -0.264,28 90.858,29 19.236,31 0.838,32 7.839,33 0.044,34 3.235,35 0.045,36 36.45,40 0.143,41 2.365,42 29.265,43 2,44 3.305,45 0.6,46 36.45,47 2.451,48 2.811,49 259.583,50 242,52 3.256,53 2.645,54 3.071,56 4.374,57 0.164,58 16.663,59 5.411,60 6.775,61 1.936,65 4.446,66 0.978,67 4.699}
{0 CHEMBL219628,1 7,3 2,4 2.047,5 6,7 24,8 2,9 3.93,10 2.131,11 3.522,12 3.1,13 39.149,14 193.12,15 193.12,16 2,17 5,18 17.717,19 22,20 23,21 4.585,22 3.807,23 4.219,24 7.996,25 6.666,26 -0.052,27 1,28 259.647,29 94.692,30 5.953,31 2.553,32 12.792,33 -0.071,34 3.661,35 0.044,36 105.675,37 3,38 1,39 2.186,40 0.728,41 4.238,42 102.866,43 8,44 4.004,45 1.075,46 120.635,47 3.535,48 4.321,49 606.66,50 568,51 1,52 9.777,53 3.496,54 3.575,55 9.684,56 5.058,57 -0.045,58 90.73,59 6.321,60 7.529,61 2.139,62 13.628,63 1,64 178.769,65 5.213,66 1.083,67 7.854}
{0 CHEMBL219682,1 6,3 2,4 2.047,5 6,7 24,8 2,9 3.911,10 2.131,11 3.26,12 4.2,13 39.149,14 183.909,15 183.909,16 2,17 5,18 17.717,19 22,20 23,21 4.585,22 3.807,23 4.104,24 7.955,25 6.558,26 -0.01,27 1,28 247.312,29 91.568,30 5.901,31 2.49,32 11.948,33 0.028,34 3.532,35 0.048,36 102.551,37 3,38 1,39 1.969,40 0.631,41 4.007,42 111.263,43 8,44 4.079,45 1.123,46 117.511,47 3.535,48 4.078,49 520.599,50 484,51 1,52 8.74,53 3.493,54 3.468,55 9.567,56 4.98,57 -0.065,58 90.73,59 6.26,60 7.48,61 2.139,62 13.507,63 1,64 134.347,65 5.134,66 1.026,67 8.523}
{0 CHEMBL220037,1 6,3 2,4 2.047,5 6,7 24,8 2,9 3.838,10 2.13,11 3.26,12 4.8,13 39.149,14 172.978,15 172.978,16 2,17 5,18 26.731,19 22,20 23,21 4.585,22 3.807,23 4.023,24 7.921,25 6.465,26 0.001,27 1,28 251.267,29 106.454,30 5.876,31 2.488,32 11.675,33 0.101,34 3.526,35 0.048,36 117.437,37 2,40 0.575,41 3.913,42 109.157,43 7,44 4.022,45 1.121,46 132.398,47 3.534,48 3.997,49 501.419,50 466,51 1,52 8.533,53 3.432,54 3.462,55 9.509,56 4.928,57 -0.073,58 90.73,59 6.207,60 7.384,61 2.139,62 13.452,63 1,64 122.896,65 5.06,66 1.034,67 7.71}
{0 CHEMBL220233,1 6,3 2,4 2.047,5 7,7 24,8 2,9 3.836,10 2.13,11 3.26,12 4.8,13 39.149,14 173.836,15 173.836,16 2,17 5,18 26.731,19 22,20 23,21 4.585,22 3.807,23 4.023,24 7.921,25 6.465,26 0.001,27 1,28 251.88,29 106.332,30 5.876,31 2.488,32 11.675,33 0.101,34 3.526,35 0.048,36 117.192,37 2,40 0.575,41 3.913,42 118.633,43 7,44 3.971,45 1.112,46 132.153,47 3.534,48 3.997,49 501.568,50 466,51 1,52 8.468,53 3.44,54 3.462,55 9.509,56 4.829,57 -0.073,58 90.608,59 6.207,60 7.384,61 2.139,62 13.452,63 1,64 122.896,65 5.06,66 1.034,67 7.131}
{0 CHEMBL220685,1 5,3 2,4 2.047,5 8,7 20,8 2,9 3.724,10 2.131,11 3.26,12 4.3,13 39.149,14 159.73,15 159.73,16 2,17 5,18 14.96,19 17,20 18,21 4.248,22 3.524,23 3.475,24 7.841,25 10.12,26 0.017,27 1,28 222.459,29 86.912,30 5.892,31 2.475,32 11.127,33 0.09,34 3.52,35 0.048,36 101.877,37 2,40 0.575,41 3.926,42 100.11,43 6,44 3.912,45 0.999,46 116.837,47 3.47,48 4.006,49 460.15,50 428,51 1,52 7.291,53 3.438,54 3.463,55 9.531,56 4.842,57 -0.053,58 73.945,59 6.169,60 7.27,61 2.139,62 13.466,63 1,64 122.896,65 4.958,66 1.046,67 4.523}
{0 CHEMBL221005,1 5,3 2,4 2.049,5 7,7 26,8 2,9 3.824,10 2.134,11 3.26,12 4.3,13 39.149,14 199.508,15 199.508,16 2,17 5,18 14.96,19 23,20 24,21 4.644,22 3.858,23 4.222,24 7.965,25 6.617,26 0.092,27 1,28 261.011,29 98.716,30 5.904,31 2.492,32 12.024,33 0.088,34 3.533,35 0.046,36 100.652,37 2,40 0.653,41 4.02,42 128.538,43 7,44 3.739,45 1.146,46 115.612,47 3.534,48 4.09,49 509.788,50 474,51 1,52 8.883,53 3.458,54 3.474,55 9.578,56 4.761,57 -0.017,58 90.73,59 6.315,60 7.422,61 2.141,62 13.515,63 1,64 134.092,65 5.106,66 0.966,67 7.222}
{0 CHEMBL221006,1 6,3 2,4 2.044,5 5,7 24.5,8 2,9 3.838,10 2.128,11 3.322,12 3.8,13 39.149,14 186.396,15 186.396,16 2,17 6,18 26.731,19 22,20 23,21 4.585,22 3.807,23 3.929,24 8.105,25 6.534,26 0.033,27 1,28 264.685,29 122.698,30 5.929,31 2.618,32 11.816,33 0.111,34 3.587,35 0.048,36 117.437,37 2,40 0.862,41 4.239,42 104.924,43 8,44 4.207,45 1.134,46 132.398,47 3.534,48 4.284,49 558.484,50 520,51 1,52 8.935,53 3.477,54 3.508,55 9.658,56 5.102,57 -0.01,58 90.73,59 6.303,60 7.457,61 2.141,62 13.587,63 1,64 145.546,65 5.128,66 0.974,67 4.398}
{0 CHEMBL221221,1 6,3 2,4 2.047,5 7,7 24,8 2,9 3.875,10 2.13,11 3.26,12 4.4,13 39.149,14 175.513,15 175.513,16 2,17 5,18 17.717,19 22,20 23,21 4.585,22 3.807,23 4.079,24 7.942,25 6.515,26 -0.054,27 1,28 253.802,29 106.454,30 5.889,31 2.488,32 11.831,33 0.045,34 3.528,35 0.047,36 117.437,37 2,40 0.59,41 3.961,42 102.866,43 8,44 4.1,45 1.113,46 132.398,47 3.534,48 4.042,49 509.848,50 474,51 1,52 8.603,53 3.485,54 3.465,55 9.539,56 4.953,57 -0.058,58 90.73,59 6.23,60 7.433,61 2.139,62 13.481,63 1,64 128.04,65 5.098,66 1.089,67 8.523}
{0 CHEMBL221269,1 5,3 2,4 2.047,5 6,7 24,8 2,9 3.981,10 2.13,11 3.26,12 4.9,13 39.149,14 201.459,15 201.459,16 2,17 5,18 26.731,19 22,20 23,21 4.585,22 3.807,23 4.023,24 7.921,25 6.503,26 -0.029,27 1,28 231.685,29 95.959,30 5.88,31 2.488,32 11.675,33 0.023,34 3.533,35 0.048,36 100.652,37 2,40 0.575,41 4.009,42 107.759,43 7,44 3.972,45 1.078,46 115.612,47 3.534,48 4.05,49 522.197,50 486,51 1,52 8.203,53 3.382,54 3.463,55 9.514,56 4.833,57 -0.09,58 90.73,59 6.207,60 7.384,61 2.138,62 13.456,63 1,64 122.896,65 5.06,66 1.044,67 7.509}
{0 CHEMBL221274,1 5,3 2,4 2.049,5 7,7 29,8 2,9 3.872,10 2.133,11 3.521,12 4.3,13 39.149,14 213.433,15 213.433,16 2,17 5,18 14.96,19 23,20 25,21 4.7,22 4.044,23 4.509,24 7.967,25 6.504,26 0.048,27 1,28 289.211,29 124.343,30 5.896,31 2.724,32 12.439,33 0.068,34 3.534,35 0.049,36 114.926,37 2,40 0.63,41 4.025,42 160.988,43 8,44 3.653,45 1.195,46 129.886,47 3.535,48 4.079,49 540.246,50 500,51 1,52 9.557,53 3.489,54 3.472,55 18.627,56 4.627,57 -0.06,58 73.945,59 6.365,60 7.477,61 2.141,62 13.513,63 1,64 140.054,65 5.162,66 0.984,67 7}
{0 CHEMBL221330,1 5,3 2,4 2.047,5 6,7 20,8 2,9 3.693,10 2.132,11 3.26,12 3.9,13 39.149,14 168.057,15 168.057,16 2,17 5,18 14.96,19 17,20 18,21 4.248,22 3.524,23 3.451,24 7.823,25 6.644,26 0.012,27 1,28 215.899,29 90.036,30 5.904,31 2.485,32 11.253,33 -0.014,34 3.535,35 0.043,36 86.991,37 2,40 0.488,41 4.003,42 100.11,43 6,44 3.811,45 1.015,46 101.951,47 3.501,48 4.066,49 505.451,50 472,51 1,52 7.96,53 3.424,54 3.47,55 9.562,56 4.623,57 -0.032,58 73.945,59 6.179,60 7.278,61 2.14,62 13.501,63 1,64 135.952,65 4.972,66 1.025,67 6}
{0 CHEMBL222202,1 5,3 2,4 2.051,5 2,7 20,8 1,9 3.694,10 2.135,11 3.261,12 3.7,13 39.149,14 176.454,15 176.454,16 2,17 5,18 14.96,19 17,20 18,21 4.248,22 3.524,23 3.422,24 7.857,25 3.462,26 -0.055,27 1,28 209.409,29 75.15,30 5.983,31 2.487,32 11.269,33 -0.007,34 3.546,35 0.044,36 72.104,40 0.519,41 4.028,42 108.506,43 6,44 3.745,45 1.041,46 87.064,47 3.501,48 4.1,49 515.759,50 482,52 8.124,53 3.432,54 3.476,55 9.693,56 4.676,57 -0.053,58 73.945,59 6.234,60 7.306,61 2.144,62 13.637,63 1,64 140.963,65 5.012,66 1.027,67 4.398}
{0 CHEMBL222467,1 4,3 2,4 2.047,5 6,7 24,8 2,9 3.836,10 2.13,11 3.26,12 4.8,13 39.149,14 188.696,15 188.696,16 2,17 5,18 32.18,19 22,20 23,21 4.585,22 3.807,23 4.023,24 7.921,25 6.453,26 0.004,27 1,28 233.414,29 96.419,30 5.876,31 2.488,32 11.675,33 0.048,34 3.525,35 0.048,36 83.866,37 2,40 0.575,41 3.917,42 136.25,43 7,44 3.822,45 1.114,46 98.826,47 3.534,48 3.997,49 505.148,50 470,51 1,52 8.493,53 3.451,54 3.464,55 9.508,56 4.726,57 -0.09,58 73.945,59 6.207,60 7.384,61 2.139,62 13.452,63 1,64 122.896,65 5.06,66 1.04,67 6.62}
{0 CHEMBL222468,1 4,3 2,4 2.037,5 2,7 20,8 1,9 3.693,10 2.121,11 3.26,12 4,13 39.149,14 173.031,15 173.031,16 2,17 5,18 14.96,19 17,20 18,21 4.248,22 3.524,23 3.451,24 7.823,25 3.41,26 -0.012,27 1,28 202.862,29 87.999,30 5.864,31 2.485,32 11.253,33 0.001,34 3.531,35 0.043,36 68.98,40 0.488,41 4.006,42 105.083,43 6,44 3.84,45 1.02,46 83.94,47 3.501,48 4.067,49 526.498,50 492,52 7.989,53 3.423,54 3.466,55 9.522,56 4.614,57 -0.015,58 73.945,59 6.179,60 7.278,61 2.131,62 13.473,63 1,64 135.952,65 4.972,66 1.039,67 4.398}
{0 CHEMBL222666,1 5,3 2,4 2.049,5 6,6 1,7 27,8 2,9 3.959,10 2.141,11 3.26,12 4.4,13 64.522,14 192.788,15 192.788,16 2,17 5,18 14.96,19 23,20 25,21 4.7,22 3.954,23 4.451,24 7.973,25 6.358,26 0.002,27 1,28 240.678,29 98.716,30 5.88,31 2.489,32 12.296,33 0.063,34 3.532,35 0.048,36 87.038,37 3,40 0.615,41 4.004,42 128.538,43 7,44 3.818,45 1.189,46 101.998,47 3.535,48 4.078,49 544.979,50 504,51 1,52 9.233,53 3.484,54 3.47,55 9.537,56 4.769,57 -0.062,58 77.117,59 6.336,60 7.517,61 2.158,62 13.488,63 1,64 132.902,65 5.153,66 1.016,67 6.959}
{0 CHEMBL222829,1 3,3 2,4 2.061,5 4,7 25.5,8 1,9 3.832,10 2.141,11 3.26,12 4.3,13 39.149,14 206.515,15 206.515,16 2,17 4,18 14.96,19 23,20 24,21 4.644,22 3.858,23 4.253,24 7.937,25 3.222,26 0.042,28 233.222,29 90.526,30 5.904,31 2.488,32 12.005,33 0.075,34 3.54,35 0.048,36 65.856,37 2,40 0.599,41 3.943,42 151.105,43 7,44 3.457,45 1.092,46 80.816,47 3.534,48 4.02,49 473.463,50 440,52 8.482,53 3.446,54 3.505,55 9.56,56 4.229,57 -0.046,58 55.934,59 6.294,60 7.403,61 2.143,62 13.492,63 1,64 128.102,65 5.081,66 0.989,67 5}
{0 CHEMBL222882,1 6,3 2,4 2.044,5 7,7 24.5,8 2,9 3.838,10 2.127,11 3.344,12 4.7,13 39.149,14 163.931,15 163.931,16 2,17 5,18 26.731,19 22,20 23,21 4.585,22 3.807,23 3.992,24 7.983,25 6.298,26 -0.005,27 1,28 242.22,29 97.407,30 5.858,31 2.67,32 11.704,33 0.082,34 3.54,35 0.05,36 117.437,37 3,40 0.653,41 4.038,42 109.157,43 8,44 4.193,45 1.166,46 132.398,47 3.569,48 4.075,49 537.69,50 498,51 1,52 8.789,53 3.464,54 3.466,55 9.53,56 4.973,57 -0.11,58 90.73,59 6.261,60 7.433,61 2.138,62 13.477,63 1,64 127.982,65 5.098,66 1.045,67 4.398}
{0 CHEMBL222954,1 5,3 2,4 2.049,5 9,7 26.5,8 2,9 3.852,10 2.133,11 3.284,12 4.3,13 39.149,14 196.403,15 196.403,16 2,17 6,18 14.96,19 23,20 24,21 4.644,22 3.858,23 4.288,24 7.951,25 6.546,26 0.067,27 1,28 274.018,29 92.854,30 5.896,31 2.544,32 12.133,33 0.038,34 3.531,35 0.05,36 116.764,37 2,40 0.63,41 3.995,42 176.854,43 8,44 3.655,45 1.161,46 131.724,47 3.535,48 4.066,49 504.933,50 468,51 2,52 9.065,53 3.482,54 3.47,55 9.558,56 4.662,57 -0.057,58 73.945,59 6.317,60 7.446,61 2.141,62 13.5,63 1,64 133.948,65 5.109,66 0.964,67 6.854}
{0 CHEMBL223011,1 5,3 2,4 2.049,5 7,7 29,8 2,9 3.983,10 2.135,11 3.534,12 4,13 39.149,14 201.004,15 201.004,16 2,17 6,18 14.96,19 23,20 26,21 4.755,22 4.044,23 4.485,24 7.983,25 6.412,26 -0.038,27 1,28 271.206,29 91.648,30 5.889,31 2.803,32 12.565,33 0.008,34 3.745,35 0.047,36 115.158,37 2,40 0.693,41 4.114,42 174.042,43 8,44 3.883,45 1.227,46 130.118,47 3.571,48 4.16,49 630.127,50 576,51 1,52 9.677,53 3.55,54 3.54,55 9.572,56 4.739,57 0.001,58 79.752,59 6.384,60 7.677,61 2.141,62 13.528,63 1,64 156.915,65 5.196,66 1.026,67 6.959}
{0 CHEMBL223088,1 7,3 2,4 2.047,5 6,7 24,8 2,9 3.93,10 2.131,11 3.523,12 3.1,13 39.149,14 193.12,15 193.12,16 2,17 5,18 17.717,19 22,20 23,21 4.585,22 3.807,23 4.317,24 8.003,25 6.728,26 -0.04,27 1,28 259.647,29 94.692,30 5.962,31 2.541,32 12.89,33 -0.075,34 3.66,35 0.041,36 105.675,37 3,38 1,39 2.194,40 0.672,41 4.293,42 102.866,43 8,44 4.004,45 1.083,46 120.635,47 3.535,48 4.365,49 606.66,50 568,51 1,52 9.777,53 3.491,54 3.574,55 9.706,56 5.058,57 -0.015,58 90.73,59 6.323,60 7.529,61 2.139,62 13.646,63 1,64 171.526,65 5.213,66 1.076,67 6.585}
{0 CHEMBL223587,1 6,3 2,4 2.054,5 6,7 24,8 2,9 3.839,10 2.136,11 3.344,12 4.4,13 39.149,14 175.513,15 175.513,16 2,17 5,18 26.731,19 22,20 23,21 4.585,22 3.807,23 3.992,24 7.983,25 6.521,26 0.024,27 1,28 253.802,29 100.164,30 5.908,31 2.67,32 11.704,33 0.035,34 3.552,35 0.05,36 117.437,37 2,40 0.653,41 4.018,42 109.157,43 8,44 4.056,45 1.121,46 132.398,47 3.569,48 4.065,49 509.84,50 474,51 1,52 8.598,53 3.467,54 3.501,55 9.69,56 4.953,57 -0.039,58 90.73,59 6.261,60 7.433,61 2.145,62 13.517,63 1,64 127.982,65 5.098,66 1.054,67 4.721}
{0 CHEMBL223877,1 7,3 2,4 2.044,5 5,7 24.5,8 2,9 3.838,10 2.128,11 3.521,12 3.1,13 39.149,14 191.374,15 191.374,16 2,17 6,18 26.731,19 22,20 23,21 4.585,22 3.807,23 3.77,24 8.116,25 6.624,26 0.039,27 1,28 272.787,29 125.822,30 5.981,31 2.609,32 12.124,33 0.063,34 3.697,35 0.042,36 120.562,37 2,40 0.839,41 4.439,42 104.924,43 8,44 4.167,45 1.103,46 135.522,47 3.534,48 4.443,49 638.017,50 598,51 1,52 10.035,53 3.475,54 3.621,55 9.778,56 5.243,57 -0.033,58 90.73,59 6.325,60 7.491,61 2.141,62 13.708,63 1,64 182.18,65 5.191,66 0.908,67 5.036}
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{0 CHEMBL230230,1 6,3 3,4 2.044,5 7,7 28,8 2,9 3.821,10 2.122,11 3.47,12 6.3,13 78.297,14 230.237,15 230.237,16 3,17 7,18 14.96,19 23,20 25,21 4.7,22 3.954,23 4.156,24 7.953,25 8.845,26 0.152,27 1,28 270.603,29 111.264,30 12.317,31 2.724,32 12.107,33 0.071,34 3.654,35 0.05,36 118.663,37 2,40 0.665,41 4.219,42 120.548,43 8,44 3.91,45 1.209,46 133.623,47 3.557,48 4.34,49 640.423,50 592,51 1,52 9.937,53 3.56,54 3.497,55 9.587,56 4.868,57 -0.197,58 129.879,59 6.364,60 7.497,61 2.131,62 13.546,63 1,64 154.669,65 5.158,66 0.917,67 6.959}
{0 CHEMBL230232,1 7,2 1,3 3,4 2.045,5 6,6 1,7 24,8 2,9 3.963,10 2.12,11 3.397,12 7.3,13 85.103,14 203.893,15 203.893,16 3,17 6,18 26.731,19 22,20 23,21 4.585,22 3.807,23 3.998,24 7.997,25 6.433,26 0.066,27 1,28 252.523,29 109.387,30 5.889,31 2.655,32 11.714,33 0.179,34 3.814,35 0.051,36 179.687,37 3,40 0.649,41 4.386,42 102.736,43 8,44 4.314,45 1.057,46 148.693,47 3.554,48 4.496,49 581.657,50 538,51 1,52 8.315,53 3.491,54 3.466,55 9.56,56 5.026,57 -0.144,58 107.148,59 6.257,60 7.436,61 2.127,62 13.495,63 1,64 127.347,65 5.102,66 0.929,67 7.745}
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{0 CHEMBL230654,1 6,3 3,4 2.044,5 7,7 24,8 2,9 3.895,10 2.121,11 3.397,12 5.9,13 78.297,14 213.755,15 213.755,16 3,17 6,18 17.717,19 22,20 23,21 4.585,22 3.807,23 4.132,24 8.028,25 6.515,26 0.144,27 1,28 252.895,29 109.955,30 12.43,31 2.655,32 12.115,33 0.054,34 3.651,35 0.047,36 117.437,37 2,40 0.696,41 4.282,42 96.891,43 9,44 4.196,45 1.084,46 132.398,47 3.555,48 4.326,49 579.983,50 538,51 1,52 8.628,53 3.572,54 3.476,55 9.626,56 5.155,57 -0.115,58 129.879,59 6.306,60 7.494,61 2.13,62 13.565,63 1,64 143.667,65 5.161,66 0.864,67 7.602}
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{0 CHEMBL230755,1 6,3 3,4 2.045,5 6,7 26.5,8 2,9 3.874,10 2.124,11 3.529,12 5.3,13 78.297,14 232.638,15 232.638,16 3,17 6,18 17.288,19 23,20 24,21 4.644,22 3.858,23 4.414,24 8.071,25 6.548,26 0.171,27 1,28 258.117,29 96.294,30 12.513,31 2.787,32 12.937,33 0.019,34 3.653,35 0.044,36 103.776,37 2,40 0.736,41 4.324,42 128.015,43 9,44 4.035,45 1.139,46 118.736,47 3.559,48 4.414,49 652.068,50 608,51 1,52 9.996,53 3.581,54 3.51,55 9.694,56 4.956,57 -0.088,58 129.879,59 6.431,60 7.54,61 2.133,62 13.636,63 1,64 165.852,65 5.227,66 0.9,67 6.456}
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{0 CHEMBL230870,1 7,3 3,4 2.045,5 6,7 24,8 2,9 3.965,10 2.12,11 3.518,12 4.9,13 85.103,14 230.119,15 230.119,16 3,17 6,18 26.731,19 22,20 23,21 4.585,22 3.807,23 4.188,24 8.046,25 6.633,26 0.098,27 1,28 250.691,29 97.747,30 5.958,31 2.656,32 12.755,33 -0.004,34 3.898,35 0.048,36 151.629,37 3,38 1,39 2.099,40 0.743,41 4.541,42 102.736,43 8,44 4.166,45 1.028,46 120.635,47 3.555,48 4.655,49 660.757,50 616,51 1,52 9.51,53 3.568,54 3.57,55 9.711,56 5.117,57 -0.091,58 90.73,59 6.344,60 7.526,61 2.127,62 13.647,63 1,64 178.075,65 5.209,66 0.896,67 7.387}
{0 CHEMBL230871,1 6,3 3,4 2.045,5 6,7 27,8 2,9 4.063,10 2.12,11 3.555,12 5.6,13 85.103,14 228.753,15 228.753,16 3,17 6,18 26.731,19 22,20 25,21 4.7,22 4,23 4.273,24 8.03,25 6.457,26 0.092,27 1,28 240.155,29 94.623,30 5.918,31 2.804,32 12.469,33 0.126,34 3.964,35 0.053,36 148.505,37 3,38 1,39 1.73,40 0.731,41 4.518,42 109.926,43 8,44 4.368,45 1.122,46 117.511,47 3.602,48 4.611,49 707.237,50 648,51 1,52 9.323,53 3.665,54 3.705,55 9.65,56 5.304,57 -0.099,58 96.776,59 6.339,60 7.693,61 2.127,62 13.593,63 1,64 167.794,65 5.181,66 0.862,67 7.367}
{0 CHEMBL2333163,1 6,3 6,4 2,5 7,7 48,9 6.879,10 2.064,11 4.124,12 5,13 275.725,14 516.079,15 516.079,16 6,17 13,19 36,20 42,21 5.426,22 4.644,23 6.381,24 7.952,25 8.157,26 0.132,28 334.129,29 233.461,31 3.472,32 16.537,33 -0.049,34 6.879,35 0.043,36 369.499,37 3,40 1.72,41 5.475,42 218.83,43 21,44 4.007,45 1.221,46 93.775,47 4.214,48 5.927,49 1490.31,50 1364,51 1,52 17.885,53 3.8,54 3.86,56 4.759,57 -0.181,59 6.781,60 8.152,61 2.06,65 5.788,66 0.912,67 5.886}
{0 CHEMBL241988,1 6,3 3,4 2.045,5 6,7 24,8 2,9 3.963,10 2.12,11 3.397,12 7.1,13 85.103,14 212.511,15 212.511,16 3,17 6,18 26.731,19 22,20 23,21 4.585,22 3.807,23 3.998,24 7.997,25 6.483,26 0.067,27 1,28 244.846,29 109.509,30 5.894,31 2.655,32 11.714,33 0.122,34 3.837,35 0.051,36 163.392,37 2,40 0.649,41 4.37,42 102.736,43 8,44 4.223,45 1.061,46 132.398,47 3.554,48 4.494,49 563.537,50 522,51 1,52 8.35,53 3.481,54 3.472,55 9.566,56 5.068,57 -0.136,58 90.73,59 6.257,60 7.436,61 2.127,62 13.499,63 1,64 127.347,65 5.102,66 0.949,67 8}
{0 CHEMBL241989,1 6,3 2,4 2.054,5 6,7 24,8 2,9 3.838,10 2.134,11 3.525,12 11.1,13 46.908,14 174.447,15 174.447,16 5,17 5,18 26.731,19 22,20 23,21 4.585,22 3.807,23 3.934,24 8.1,25 5.789,26 -0.068,27 1,28 252.736,29 154.52,30 5.813,31 2.803,32 11.821,33 0.053,34 3.596,35 0.053,36 117.437,37 2,40 0.993,41 4.375,42 102.866,43 8,44 4.295,45 1.241,46 177.278,47 3.568,48 4.314,49 689.881,50 636,51 1,52 9.228,53 3.534,54 3.491,55 9.516,56 5.084,57 -0.155,58 90.73,59 6.344,60 7.504,61 2.147,62 54.972,63 1,64 142.38,65 5.155,66 0.968,67 6.796}
{0 CHEMBL241990,1 6,3 2,4 2.043,5 6,7 24.5,8 2,9 3.838,10 2.126,11 3.417,12 4.3,13 39.149,14 179.629,15 179.629,16 2,17 6,18 26.731,19 22,20 23,21 4.585,22 3.807,23 3.975,24 8.033,25 6.456,26 0.105,27 1,28 257.917,29 122.698,30 5.904,31 2.677,32 11.751,33 0.063,34 3.544,35 0.049,36 117.437,37 3,40 0.681,41 4.122,42 115.807,43 8,44 4.247,45 1.163,46 132.398,47 3.556,48 4.178,49 547.721,50 510,51 1,52 9.033,53 3.494,54 3.469,55 9.604,56 5.124,57 -0.153,58 90.73,59 6.287,60 7.444,61 2.14,62 13.535,63 1,64 132.358,65 5.12,66 0.956,67 6.886}
{0 CHEMBL242206,1 6,3 2,4 2.057,5 6,7 25.5,8 2,9 3.913,10 2.132,11 3.499,12 4.3,13 39.149,14 191.376,15 191.376,16 2,17 6,18 26.731,19 22,20 24,21 4.644,22 3.907,23 3.989,24 8.1,25 6.393,26 0.113,27 1,28 250.532,29 108.005,30 5.903,31 2.803,32 11.821,33 0.089,34 3.835,35 0.05,36 117.437,37 2,40 0.837,41 4.314,42 108.422,43 8,44 4.305,45 1.18,46 132.398,47 3.564,48 4.34,49 591.088,50 546,51 1,52 8.985,53 3.506,54 3.527,55 9.627,56 5.164,57 -0.123,58 90.73,59 6.344,60 7.485,61 2.135,62 13.56,63 1,64 137.369,65 5.155,66 0.927,67 7.699}
{0 CHEMBL242207,1 6,3 2,4 2.084,5 6,7 27,8 2,9 3.951,10 2.164,11 3.537,12 4.2,13 39.149,14 178.289,15 178.289,16 2,17 6,18 26.731,19 22,20 25,21 4.7,22 4,23 4,24 8.164,25 6.197,26 0.093,27 1,28 250.532,29 108.005,30 5.882,31 2.803,32 11.887,33 0.087,34 3.837,35 0.053,36 117.437,37 2,40 0.993,41 4.405,42 108.422,43 8,44 4.32,45 1.256,46 132.398,47 3.571,48 4.395,49 634.533,50 582,51 1,52 9.343,53 3.537,54 3.685,55 9.62,56 5.161,57 -0.133,58 96.776,59 6.398,60 7.669,61 2.155,62 13.57,63 1,64 142.38,65 5.189,66 0.932,67 6.721}
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{0 CHEMBL242425,1 6,3 2,4 2.063,5 7,7 24,8 2,9 3.838,10 2.143,11 3.46,12 3.8,13 39.149,14 169.222,15 169.222,16 2,17 5,18 26.731,19 22,20 23,21 4.585,22 3.807,23 3.916,24 8.121,25 6.435,26 0.016,27 1,28 247.511,29 109.64,30 5.923,31 2.702,32 11.855,33 0.115,34 3.584,35 0.045,36 117.437,37 2,40 0.811,41 4.303,42 102.866,43 8,44 4.393,45 1.153,46 132.398,47 3.56,48 4.36,49 581.658,50 540,51 1,52 9.138,53 3.506,54 3.529,55 9.689,56 5.358,57 -0.022,58 90.73,59 6.317,60 7.465,61 2.151,62 13.616,63 1,64 149.14,65 5.144,66 1.03,67 6.041}
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{0 CHEMBL245212,1 6,3 3,4 2.042,5 6,7 24,8 2,9 3.838,10 2.125,11 3.397,12 7.1,13 39.149,14 172.623,15 172.623,16 3,17 6,18 41.691,19 22,20 23,21 4.585,22 3.807,23 3.998,24 7.997,25 6.127,26 0.069,27 1,28 250.912,29 115.575,30 5.842,31 2.655,32 11.714,33 0.043,34 3.542,35 0.051,36 117.437,37 2,40 0.649,41 4.037,42 108.802,43 8,44 4.128,45 1.157,46 147.358,47 3.554,48 4.134,49 563.537,50 522,51 1,52 8.752,53 3.486,54 3.465,55 9.484,56 5.021,57 -0.172,58 90.73,59 6.257,60 7.436,61 2.139,62 28.134,63 2,64 127.347,65 5.102,66 0.993,67 7.699}
{0 CHEMBL261238,1 6,3 2,4 2.024,5 4,7 26,8 1,9 3.805,10 2.122,11 3.26,12 4.7,13 39.149,14 188.316,15 188.316,16 2,17 5,18 17.288,19 23,20 24,21 4.644,22 3.858,23 4.253,24 8.083,25 3.168,26 0.049,28 251.719,29 117.179,30 5.892,31 2.497,32 12.005,33 -0.005,34 3.494,35 0.043,36 102.551,37 2,40 0.672,41 3.996,42 110.834,43 7,44 3.775,45 1.194,46 117.511,47 3.534,48 4.075,49 527.125,50 490,52 9.035,53 3.381,54 3.402,55 9.561,56 4.722,57 -0.03,58 89.505,59 6.341,60 7.423,61 2.138,62 13.498,63 1,64 125.927,65 5.112,66 0.934,67 7.301}
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{0 CHEMBL271190,1 1,4 2.032,5 3,7 9,9 3.667,10 2.122,11 3.563,14 119.442,15 119.442,18 11.771,20 6,21 2.807,22 2.807,23 1.186,24 7.249,26 -0.221,28 122.566,29 37.866,31 2.729,32 9.923,33 -0.078,34 3.493,35 0.06,36 3.124,40 1.606,41 4.525,42 52.189,44 3.464,45 0.919,46 3.124,47 3.692,48 4.81,49 612.306,50 568,52 6.082,53 3.803,54 3.387,56 5.042,57 -0.045,59 5.986,60 7.251,61 2.128,64 230.725,65 4.949,66 1.186,67 4.398}
{0 CHEMBL360190,1 4,3 4,4 1.941,5 2,7 33.5,9 6.878,10 2.032,11 3.648,12 5.3,13 183.816,14 367.671,15 367.671,16 4,17 10,18 11.771,19 24,20 29,21 4.907,22 4.17,23 5.394,24 7.709,25 5.335,26 0.142,28 246.371,29 180.042,31 2.987,32 15.143,33 -0.01,34 6.878,35 0.041,36 246.333,37 2,40 1.149,41 5.141,42 164.669,43 14,44 4.11,45 1.159,46 62.516,47 4.082,48 5.711,49 1016.86,50 934,52 12.444,53 3.769,54 3.82,56 4.985,57 -0.167,58 9.476,59 6.418,60 7.768,61 2.034,65 5.416,66 0.989,67 5.481}
{0 CHEMBL370336,1 5,3 2,4 2.023,5 7,7 26,8 2,9 3.844,10 2.121,11 3.26,12 4.3,13 39.149,14 199.508,15 199.508,16 2,17 4,18 17.288,19 23,20 24,21 4.644,22 3.858,23 4.222,24 7.965,25 6.553,26 0.092,27 1,28 261.011,29 96.388,30 5.9,31 2.492,32 12.024,33 -0.018,34 3.517,35 0.046,36 100.652,37 2,40 0.653,41 4.013,42 131.295,43 7,44 3.798,45 1.147,46 115.612,47 3.534,48 4.094,49 509.968,50 474,51 1,52 8.878,53 3.447,54 3.427,55 9.571,56 4.66,57 -0.041,58 90.73,59 6.315,60 7.422,61 2.136,62 13.512,63 1,64 134.092,65 5.106,66 0.938,67 4.507}
{0 CHEMBL370655,1 7,3 2,4 2.02,5 6,7 20,8 2,9 3.737,10 2.118,11 3.26,12 3.5,13 39.149,14 163.681,15 163.681,16 2,17 4,18 17.288,19 17,20 18,21 4.248,22 3.524,23 3.43,24 7.813,25 6.569,26 0.127,27 1,28 231.433,29 99.451,30 5.913,31 2.489,32 11.365,33 0.006,34 3.542,35 0.047,36 106.901,37 3,40 0.575,41 4.043,42 89.125,43 6,44 3.754,45 1.003,46 121.861,47 3.535,48 4.104,49 517.432,50 482,51 1,52 8.158,53 3.478,54 3.456,55 9.583,56 4.644,57 -0.039,58 90.73,59 6.19,60 7.299,61 2.134,62 13.529,63 1,64 151.303,65 4.992,66 0.878,67 4.678}
{0 CHEMBL371095,1 6,4 2.021,5 5,7 26.5,8 2,9 3.746,10 2.119,11 3.463,14 173.298,15 173.298,17 4,18 2.328,19 23,20 24,21 4.644,22 3.858,23 4.48,24 7.962,25 6.792,26 -0.071,27 1,28 277.074,29 105.192,31 2.518,32 12.892,33 -0.022,34 3.691,35 0.038,36 103.776,37 2,40 0.451,41 3.898,42 135.451,43 6,44 3.648,45 1.104,46 103.776,47 3.501,48 4.017,49 508.165,50 480,51 1,52 9.97,53 3.434,54 3.608,55 9.722,56 4.489,57 -0.023,58 51.582,59 6.339,60 7.407,61 2.135,64 167.888,65 5.13,66 1.057,67 6.42}
{0 CHEMBL371239,1 4,4 1.924,5 2,7 13.5,9 3.716,10 2.02,11 2.755,14 119.85,15 119.85,18 4.115,19 15,20 16,21 4.087,22 3.248,23 2.908,24 7.519,26 -0.186,28 128.147,29 25.546,31 1.861,32 10.238,33 -0.087,34 3.395,35 0.034,36 39.575,40 0.242,41 3.153,42 79.832,43 3,44 3.478,45 0.818,46 39.575,47 3.012,48 3.395,49 351.082,50 330,52 5.652,53 3.249,54 3.202,56 4.016,57 0.133,58 16.663,59 5.958,60 7.098,61 2.02,65 4.828,66 1.065,67 4.699}
{0 CHEMBL371242,1 3,4 1.728,5 3,7 7.5,9 3.46,10 1.933,11 1.779,14 77.289,15 77.289,18 4.115,19 9,20 10,21 3.459,22 2.7,23 1.874,24 5.611,25 2.904,26 -0.499,28 97.348,29 19.236,31 0.617,32 7.757,33 -0.019,34 3.171,35 0.049,36 51.337,40 0.115,41 2.281,42 20.869,43 2,44 3.437,45 0.574,46 51.337,47 2.431,48 2.641,49 248.619,50 232,52 3.094,53 2.615,54 2.988,56 4.325,57 0.126,58 16.663,59 5.386,60 6.738,61 1.914,65 4.398,66 1.194,67 4.699}
{0 CHEMBL371532,1 6,3 2,4 2.017,5 4,7 20,8 2,9 3.693,10 2.117,11 3.327,12 3.8,13 39.149,14 160.258,15 160.258,16 2,17 3,18 17.288,19 17,20 18,21 4.248,22 3.524,23 3.422,24 7.646,25 6.629,26 -0.062,27 2,28 224.886,29 78.745,30 5.883,31 2.508,32 11.269,33 -0.092,34 3.525,35 0.039,36 103.776,37 2,40 0.405,41 4.064,42 81.157,43 6,44 3.939,45 1.009,46 118.736,47 3.501,48 4.012,49 526.492,50 492,51 1,52 8.17,53 3.42,54 3.426,55 9.563,56 4.785,57 -0.034,58 108.741,59 6.144,60 7.282,61 2.133,62 13.427,63 1,64 143.865,65 4.978,66 0.967,67 4.398}
{0 CHEMBL371658,1 6,4 2.026,5 5,7 26,8 2,9 3.746,10 2.123,11 3.463,14 171.716,15 171.716,17 2,18 2.328,19 23,20 24,21 4.644,22 3.858,23 4.48,24 7.962,25 6.864,26 -0.068,27 1,28 275.493,29 90.077,31 2.518,32 12.892,33 -0.042,34 3.691,35 0.038,36 103.776,37 2,40 0.451,41 3.878,42 131.335,43 6,44 3.604,45 1.073,46 103.776,47 3.501,48 4.009,49 474.303,50 448,51 1,52 9.713,53 3.438,54 3.608,55 9.742,56 4.549,57 -0.021,58 51.582,59 6.339,60 7.407,61 2.137,64 167.888,65 5.13,66 1.03,67 8.699}
{0 CHEMBL373001,1 3,4 1.911,5 3,7 13.5,9 3.537,10 2.017,11 2.5,14 113.961,15 113.961,18 4.115,19 15,20 16,21 4.087,22 3.248,23 2.706,24 6.204,25 2.919,26 -0.42,28 134.02,29 22.422,31 1.5,32 9.188,33 -0.065,34 3.257,35 0.045,36 51.337,40 0.156,41 2.847,42 71.436,43 3,44 3.605,45 0.788,46 51.337,47 2.859,48 3.076,49 303.534,50 284,52 5.051,53 2.738,54 3.059,56 4.093,57 0.119,58 16.663,59 5.671,60 7.001,61 2.003,65 4.673,66 1.01,67 4.699}
{0 CHEMBL373480,1 4,3 2,4 2.049,5 7,7 26,8 2,9 3.829,10 2.133,11 3.26,12 4.4,13 39.149,14 203.122,15 203.122,16 2,17 5,18 14.96,19 23,20 24,21 4.644,22 3.858,23 4.253,24 7.937,25 6.583,26 0.036,27 1,28 247.84,29 90.098,30 5.894,31 2.488,32 12.005,33 0.059,34 3.529,35 0.048,36 83.866,37 2,40 0.599,41 3.945,42 150.676,43 7,44 3.496,45 1.134,46 98.826,47 3.534,48 4.025,49 486.267,50 452,51 1,52 8.842,53 3.443,54 3.469,55 9.544,56 4.407,57 -0.055,58 73.945,59 6.294,60 7.403,61 2.14,62 13.483,63 1,64 128.102,65 5.081,66 0.991,67 6.678}
{0 CHEMBL373557,1 4,3 2,4 2.05,5 8,7 26,8 2,9 3.812,10 2.134,11 3.26,12 4.8,13 39.149,14 200.588,15 200.588,16 2,17 6,18 14.96,19 23,20 24,21 4.644,22 3.858,23 4.285,24 8.043,25 6.516,26 0.111,28 245.306,29 107.68,30 5.885,31 2.487,32 11.986,33 0.127,34 3.506,35 0.046,36 83.866,37 2,40 0.55,41 3.916,42 150.248,43 7,44 3.176,45 1.152,46 98.826,47 3.507,48 4.002,49 482.406,50 448,51 1,52 8.711,53 3.38,54 3.453,55 9.527,56 3.974,57 -0.044,58 55.934,59 6.311,60 7.399,61 2.142,62 13.466,63 1,64 120.342,65 5.075,66 0.98,67 4.398}
{0 CHEMBL374071,1 4,3 2,4 2.047,5 6,7 20,8 2,9 3.705,10 2.131,11 3.26,12 4.3,13 39.149,14 162.217,15 162.217,16 2,17 5,18 14.96,19 17,20 18,21 4.248,22 3.524,23 3.475,24 7.841,25 6.583,26 0.004,27 1,28 206.935,29 86.912,30 5.886,31 2.475,32 11.127,33 0.072,34 3.517,35 0.048,36 83.866,37 2,40 0.575,41 3.933,42 100.11,43 6,44 3.949,45 1.005,46 98.826,47 3.47,48 4.009,49 480.606,50 448,51 1,52 7.343,53 3.423,54 3.461,55 9.523,56 4.882,57 -0.066,58 73.945,59 6.169,60 7.27,61 2.139,62 13.461,63 1,64 122.896,65 4.958,66 1.054,67 5.658}
{0 CHEMBL374210,1 6,3 2,4 2.056,5 6,7 24,8 2,9 3.838,10 2.138,11 3.298,12 4.4,13 39.149,14 175.513,15 175.513,16 2,17 5,18 26.731,19 22,20 23,21 4.585,22 3.807,23 3.997,24 7.982,25 6.553,26 -0.041,27 1,28 253.802,29 109.64,30 5.897,31 2.595,32 11.712,33 0.083,34 3.563,35 0.051,36 117.437,37 2,40 0.709,41 3.993,42 102.866,43 8,44 4.187,45 1.119,46 132.398,47 3.534,48 4.086,49 510.089,50 474,51 1,52 8.589,53 3.472,54 3.505,55 9.563,56 5.084,57 -0.019,58 90.73,59 6.259,60 7.433,61 2.145,62 13.497,63 1,64 127.982,65 5.098,66 1.026,67 4.398}
{0 CHEMBL374241,1 6,3 2,4 2.047,5 7,7 24,8 2,9 3.882,10 2.13,11 3.26,12 4.2,13 39.149,14 178.047,15 178.047,16 2,17 5,18 26.731,19 22,20 23,21 4.585,22 3.807,23 4.086,24 7.942,25 6.532,26 0.077,27 1,28 256.336,29 106.454,30 5.898,31 2.492,32 11.93,33 0.137,34 3.532,35 0.05,36 117.437,37 2,40 0.615,41 4.001,42 109.157,43 8,44 4.113,45 1.095,46 132.398,47 3.535,48 4.058,49 513.76,50 478,51 1,52 8.529,53 3.486,54 3.469,55 9.558,56 5.038,57 -0.063,58 90.73,59 6.255,60 7.436,61 2.139,62 13.5,63 1,64 135.75,65 5.107,66 0.895,67 6.194}
{0 CHEMBL374258,1 6,3 2,4 2.043,5 5,7 24.5,8 2,9 3.838,10 2.126,11 3.534,12 10.9,13 48.966,14 178.563,15 178.563,16 5,17 6,18 26.731,19 22,20 23,21 4.585,22 3.807,23 3.909,24 8.132,25 5.836,26 -0.074,27 1,28 256.852,29 167.578,30 5.836,31 2.813,32 11.848,33 -0.043,34 3.606,35 0.051,36 117.437,37 2,40 0.978,41 4.376,42 104.924,43 8,44 4.352,45 1.249,46 177.278,47 3.671,48 4.373,49 728.528,50 672,51 1,52 9.59,53 3.61,54 3.478,55 9.543,56 5.124,57 -0.068,58 90.73,59 6.314,60 7.496,61 2.14,62 52.541,63 1,64 151.536,65 5.134,66 1.017,67 4.398}
{0 CHEMBL374482,1 5,3 2,4 2.048,5 6,7 26,8 2,9 3.808,10 2.132,11 3.26,12 4.5,13 39.149,14 192.788,15 192.788,16 2,17 5,18 14.96,19 23,20 24,21 4.644,22 3.858,23 4.253,24 7.937,25 6.508,26 0.019,27 1,28 254.292,29 98.716,30 5.888,31 2.488,32 12.005,33 0.046,34 3.528,35 0.048,36 100.652,37 2,40 0.599,41 3.952,42 128.538,43 7,44 3.656,45 1.144,46 115.612,47 3.534,48 4.028,49 503.218,50 468,51 1,52 8.927,53 3.428,54 3.468,55 9.536,56 4.675,57 -0.076,58 90.73,59 6.294,60 7.403,61 2.14,62 13.478,63 1,64 128.102,65 5.081,66 1.009,67 7.046}
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{0 CHEMBL522217,1 7,2 1,3 3,4 2.045,5 6,6 2,7 30,8 2,9 3.971,10 2.12,11 3.553,12 5.9,13 85.103,14 254.031,15 254.031,16 3,17 7,18 26.731,19 28,20 29,21 4.907,22 4.087,23 5.148,24 8.148,25 6.545,26 0.086,27 1,28 287.774,29 97.257,30 5.94,31 2.803,32 13.619,33 0.141,34 3.942,35 0.047,36 164.801,37 4,38 1,39 1.715,40 0.712,41 4.503,42 152.874,43 9,44 3.942,45 1.143,46 133.807,47 3.581,48 4.584,49 655.291,50 608,51 1,52 10.242,53 3.578,54 3.591,55 9.681,56 4.795,57 -0.158,58 107.148,59 6.493,60 7.63,61 2.127,62 13.617,63 1,64 162.702,65 5.311,66 0.901,67 4.398}
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