@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL4179

@attribute molecule_id 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@attribute CATS2D_02_AA numeric
@attribute C.032 numeric
@attribute SpMax4_Bh.e. numeric
@attribute SpMax4_Bh.v. numeric
@attribute SpMax4_Bh.i. numeric
@attribute SpMax4_Bh.p. numeric
@attribute X1v numeric
@attribute SpMax5_Bh.i. numeric
@attribute ATS8p numeric
@attribute Eig15_AEA.bo. numeric
@attribute XMOD numeric
@attribute X1sol numeric
@attribute X2v numeric
@attribute SpMin5_Bh.p. numeric
@attribute SpMax5_Bh.p. numeric
@attribute ATS1v numeric
@attribute TIC1 numeric
@attribute SpMax5_Bh.e. numeric
@attribute SpMax5_Bh.v. numeric
@attribute Eig05_AEA.ed. numeric
@attribute ATS1m numeric
@attribute Eig14_AEA.bo. numeric
@attribute Eig07_AEA.bo. numeric
@attribute RDSQ numeric
@attribute RBN numeric
@attribute SpMin5_Bh.e. numeric
@attribute Eig14_AEA.ri. numeric
@attribute IC2 numeric
@attribute Sv numeric
@attribute IAC numeric
@attribute TIC0 numeric
@attribute Eig13_AEA.dm. numeric
@attribute SpMin7_Bh.v. numeric
@attribute Chi0_EA.bo. numeric
@attribute X0v numeric
@attribute Eig14_EA.bo. numeric
@attribute ATS6m numeric
@attribute Eig12_AEA.dm. numeric
@attribute Eig13_AEA.ed. numeric
@attribute Eig05_EA.ed. numeric
@attribute SM14_AEA.dm. numeric
@attribute ATS8v numeric
@attribute Eig14_EA numeric
@attribute SM08_AEA.dm. numeric
@attribute X1 numeric
@attribute IVDM numeric
@attribute Psi_i_0 numeric
@attribute ZM2Kup numeric
@attribute SpMin6_Bh.p. numeric
@attribute ATS5p numeric
@attribute SpMin5_Bh.m. numeric
@attribute ZM2Per numeric
@attribute Eig14_EA.ri. numeric
@attribute SpMin5_Bh.i. numeric
@attribute ATS8m numeric
@attribute ZM2Mad numeric
@attribute SpMin4_Bh.i. numeric
@attribute SpAD_AEA.bo. numeric
@attribute Eig05_EA numeric
@attribute SM13_AEA.bo. numeric
@attribute TIC2 numeric
@attribute X2sol numeric
@attribute S0K numeric
@attribute Eig07_EA numeric
@attribute SM15_AEA.bo. numeric
@attribute HDcpx numeric
@attribute Chi0_EA.ed. numeric
@attribute Eta_betaS numeric
@attribute ATS7m numeric
@attribute SpAD_EA numeric
@attribute X2 numeric
@attribute X3v numeric
@attribute SpMin7_Bh.p. numeric
@attribute Chi0_AEA.bo. numeric
@attribute Chi0_AEA.dm. numeric
@attribute Chi0_AEA.ed. numeric
@attribute Chi0_AEA.ri. numeric
@attribute Chi0_EA numeric
@attribute Chi0_EA.ri. numeric
@attribute SpMin5_Bh.v. numeric
@attribute Eig13_EA.ed. numeric
@attribute SM08_AEA.ri. numeric
@attribute SMTIV numeric
@attribute CID numeric
@attribute CENT numeric
@attribute SpAD_AEA.dm. numeric
@attribute ATS1p numeric
@attribute IDM numeric
@attribute ATS7v numeric
@attribute RDCHI numeric
@attribute VvdwMG numeric
@attribute Vx numeric
@attribute SpMin6_Bh.e. numeric
@attribute ZM2V numeric
@attribute Eig14_EA.ed. numeric
@attribute SM09_AEA.ri. numeric
@attribute Sp numeric
@attribute Chi1_EA.ri. numeric
@attribute SpAD_AEA.ed. numeric
@attribute Eig15_EA.ed. numeric
@attribute SM10_AEA.ri. numeric
@attribute Eig12_AEA.bo. numeric
@attribute Chi1_AEA.bo. numeric
@attribute Chi1_AEA.dm. numeric
@attribute Chi1_AEA.ed. numeric
@attribute Chi1_AEA.ri. numeric
@attribute Chi1_EA numeric
@attribute X1Kup numeric
@attribute Eig10_AEA.dm. numeric
@attribute ATS2v numeric
@attribute SpMax4_Bh.m. numeric
@attribute SpAD_AEA.ri. numeric
@attribute ZM2MulPer numeric
@attribute AMR numeric
@attribute ATS7p numeric
@attribute ATS6p numeric
@attribute SM02_AEA.bo. numeric
@attribute BID numeric
@attribute RCI numeric
@attribute RFD numeric
@attribute Chi1_EA.ed. numeric
@attribute GMTIV numeric
@attribute ON1 numeric
@attribute Eig13_AEA.bo. numeric
@attribute MWC02 numeric
@attribute ZM1 numeric
@attribute SRW04 numeric
@attribute TIC3 numeric
@attribute Eig05_AEA.ri. numeric
@attribute IDDM numeric
@attribute Psi_i_1 numeric
@attribute LPRS numeric
@attribute NNRS numeric
@attribute CATS2D_04_AL numeric
@attribute Psi_e_1 numeric
@attribute X0sol numeric
@attribute nSK numeric
@attribute MPC01 numeric
@attribute MWC01 numeric
@attribute pXC50 numeric

@data
{3 3.636,4 3.494,5 3.679,6 3.526,7 9.876,8 3.405,9 3.862,10 0.965,11 88.885,12 13.464,13 7.41,14 1.469,15 3.301,16 3.514,17 143.581,18 3.381,19 3.239,20 5.054,21 3.685,22 1.137,23 2.997,24 237.009,25 4,26 1.267,27 0.725,28 4.125,29 30.037,30 72.336,31 72.336,32 0.826,33 1.107,34 15.561,35 15.334,36 -0.236,37 3.898,38 1,39 3.247,40 6.071,41 6.071,42 3.742,43 -0.188,44 -0.188,45 13.114,46 4.694,47 18.812,48 436.236,49 1.358,50 3.946,51 1.409,52 666.94,53 -0.166,54 1.221,55 3.718,56 204.305,57 1.415,58 46.121,59 2.229,60 2.229,61 177.355,62 12.132,63 116.382,64 1.527,65 1.527,66 1.706,67 10.837,68 17,69 3.897,70 45.393,71 11.896,72 5.186,73 1.062,74 18.361,75 18.361,76 18.361,77 18.361,78 18.361,79 18.876,80 1.481,81 2.136,82 2.136,83 14750,84 4.038,85 1123,86 48.057,87 3.557,88 8.228,89 3.858,90 3.869,91 187.143,92 448.389,93 1.149,94 434,95 -0.422,96 -0.422,97 31.387,98 15.642,99 46.538,100 -1.096,101 -1.096,102 2.44,103 14.814,104 14.814,105 14.814,106 14.814,107 14.814,108 8.367,109 1,110 3.863,111 3.708,112 45.542,113 462.651,114 105.742,115 3.953,116 3.935,117 4.989,118 3.341,119 1,121 5.164,122 27336,123 5.889,124 2.277,125 4.977,126 144,127 5.434,128 200.574,129 3.176,130 4.72,131 15.524,132 132.502,133 1,134 8,135 4.309,136 18.221,137 27,138 3.434,139 3.434,140 6.553}
{0 CHEMBL101035,3 3.796,4 3.596,5 3.852,6 3.581,7 12.064,8 3.643,9 4.31,10 2,11 105.51,12 16.775,13 9.818,14 1.743,15 3.391,16 3.78,17 241.687,18 3.577,19 3.399,20 5.338,21 3.821,22 2.137,23 3.362,24 313.746,25 8,26 1.483,27 1.952,28 4.439,29 42.153,30 104.778,31 104.778,32 1.038,33 1.481,34 21.064,35 21.005,36 1.121,37 4.079,38 1.256,39 3.414,40 6.916,41 6.916,42 4.173,43 1,44 1,45 16.775,46 5.053,47 25.111,48 490.217,49 1.61,50 4.208,51 1.653,52 717.82,53 0.946,54 1.428,55 3.963,56 228.269,57 1.669,58 57.216,59 2.465,60 2.465,61 310.707,62 15.877,63 162.77,64 2.032,65 2.032,66 1.764,67 13.784,68 22.75,69 4.139,70 56.587,71 15.877,72 5.89,73 1.482,74 23.212,75 23.212,76 23.212,77 23.212,78 23.212,79 23.821,80 1.708,81 2.275,82 2.275,83 29646,84 4.28,85 2516,86 57.983,87 3.806,88 8.929,89 4.205,90 4.684,91 259.804,92 625.681,93 1.356,94 463,95 2.275,96 2.275,97 44.813,98 19.759,99 57.185,100 2.136,101 2.136,102 2.5,103 18.805,104 18.805,105 18.805,106 18.805,107 18.805,108 11.876,109 1.528,110 4.145,111 3.678,112 56.537,113 494.719,114 136.998,115 4.297,116 4.186,117 5.131,118 3.588,119 1,121 6.648,122 46583,123 7.556,124 2.387,125 5.209,126 182,127 5.666,128 341.501,129 3.426,130 5.096,131 20.274,132 193.815,133 1,134 9,135 5.375,136 24.838,137 35,138 3.664,139 3.664,140 4.9}
{0 CHEMBL101253,3 3.406,4 3.253,5 3.47,6 3.24,7 8.33,8 3.285,9 3.609,10 0.889,11 78.749,12 12.582,13 6.141,14 1.376,15 3.077,16 3.437,17 128.638,18 3.224,19 3.085,20 4.905,21 3.514,22 1.014,23 2.887,24 209.623,25 4,26 1.18,27 0.595,28 4.091,29 28.074,30 59.835,31 59.835,32 0.426,33 1.107,34 14.555,35 14.111,36 -0.435,37 3.717,38 0.741,39 2.764,40 5.669,41 5.669,42 3.465,43 -0.34,44 -0.34,45 12.293,46 4.606,47 17.582,48 381.691,49 1.062,50 3.782,51 1.344,52 578.74,53 -0.291,54 1.127,55 3.486,56 171.363,57 1.298,58 41.584,59 2.007,60 2.007,61 163.658,62 11.219,63 108.096,64 1.44,65 1.44,66 1.681,67 10.512,68 15.75,69 3.668,70 41.266,71 10.811,72 4.244,73 1.062,74 17.361,75 17.361,76 17.361,77 17.361,78 17.361,79 17.698,80 1.378,81 0.048,82 0.048,83 12027,84 3.972,85 911,86 41.973,87 3.464,88 7.983,89 3.675,90 3.806,91 176.352,92 422.06,93 0.886,94 378,95 -0.814,96 -0.814,97 29.449,98 14.462,99 41.88,100 -1.455,101 -1.455,102 1.729,103 13.875,104 13.875,105 13.875,106 13.875,107 13.875,108 7.92,109 1,110 3.788,111 3.412,112 41.449,113 400.645,114 100.976,115 3.781,116 3.806,117 4.896,118 3.267,119 1.091,120 0.091,121 5.06,122 21561,123 5.5,124 1.313,125 4.89,126 132,127 5.342,128 188.877,129 2.943,130 4.61,131 14.353,132 120.213,133 0.75,134 10,135 3.847,136 17.562,137 25,138 3.367,139 3.367,140 5.2}
{0 CHEMBL101311,1 1,2 1,3 3.705,4 3.512,5 3.768,6 3.503,7 10.022,8 3.454,9 3.75,10 1.106,11 96.607,12 14.962,13 7.735,14 1.616,15 3.13,16 3.57,17 198.997,18 3.383,19 3.137,20 5.126,21 3.731,22 1.307,23 3.217,24 243.367,25 9,26 1.338,27 1.001,28 4.681,29 34.46,30 91.69,31 91.69,32 0.873,33 1.286,34 17.549,35 18.153,36 0.087,37 3.967,38 1,39 2.988,40 6.356,41 6.356,42 3.635,43 0.073,44 0.073,45 14.385,46 4.831,47 20.755,48 442.65,49 1.304,50 3.958,51 1.647,52 676.64,53 0.067,54 1.259,55 3.729,56 205.1,57 1.589,58 47.1,59 2.227,60 2.227,61 248.07,62 14.004,63 139.207,64 1.886,65 1.886,66 1.722,67 11.886,68 20,69 3.901,70 46.635,71 13.224,72 4.54,73 1.239,74 19.825,75 19.825,76 19.825,77 19.825,78 19.825,79 20.591,80 1.627,81 0.682,82 0.682,83 23138,84 4.121,85 1624,86 47.768,87 3.583,88 8.471,89 3.75,90 4.261,91 222.313,92 534.203,93 1.037,94 438,95 0.188,96 0.188,97 36.267,98 17.215,99 47.99,100 -0.444,101 -0.444,102 1.793,103 15.826,104 15.826,105 15.826,106 15.826,107 15.826,108 9.17,109 1.238,110 3.904,111 3.629,112 46.908,113 469.595,114 120.009,115 3.84,116 3.921,117 4.952,118 3.439,119 1,121 5.741,122 41329,123 6.611,124 1.556,125 5.017,126 150,127 5.468,128 272.07,129 3.151,130 4.875,131 16.199,132 159.05,133 1,134 5,135 4.51,136 22.51,137 30,138 3.497,139 3.497,140 5.8}
{0 CHEMBL103667,3 3.807,4 3.601,5 3.859,6 3.586,7 13.481,8 3.656,9 4.518,10 2.387,11 117.51,12 18.775,13 10.951,14 1.765,15 3.417,16 3.899,17 266.431,18 3.593,19 3.424,20 5.388,21 3.928,22 2.471,23 3.493,24 385.073,25 8,26 1.523,27 2,28 4.582,29 46.68,30 112.148,31 112.148,32 1.287,33 1.584,34 23.423,35 23.16,36 1.461,37 4.272,38 1.484,39 3.647,40 6.968,41 6.968,42 4.402,43 1,44 1,45 18.775,46 5.213,47 28.075,48 556.217,49 1.656,50 4.402,51 1.687,52 824.66,53 1,54 1.477,55 4.237,56 263.768,57 1.673,58 65.312,59 2.505,60 2.505,61 348.22,62 17.699,63 193.376,64 2.149,65 2.149,66 1.794,67 15.44,68 25.25,69 4.329,70 64.651,71 17.699,72 6.899,73 1.576,74 26.126,75 26.126,76 26.126,77 26.126,78 26.126,79 26.724,80 1.73,81 2.824,82 2.824,83 36729,84 4.396,85 3163,86 66.112,87 3.926,88 9.269,89 4.385,90 4.894,91 284.925,92 686.977,93 1.46,94 529,95 2.727,96 2.727,97 49.574,98 22.217,99 65.558,100 2.275,101 2.275,102 2.6,103 21.281,104 21.281,105 21.281,106 21.281,107 21.281,108 13.293,109 2.025,110 4.279,111 3.685,112 64.61,113 563.342,114 153.448,115 4.471,116 4.38,117 5.281,118 3.693,119 1.074,120 0.074,121 7.396,122 58050,123 8.389,124 2.5,125 5.342,126 208,127 5.802,128 390.539,129 3.436,130 5.253,131 23.074,132 220.011,133 0.8,134 11,135 6.092,136 27.407,137 39,138 3.784,139 3.784,140 8.211}
{0 CHEMBL105442,3 3.395,4 3.15,5 3.426,6 3.381,7 9.033,8 3.156,9 3.646,10 0.427,11 92.629,12 12.286,13 7.371,14 1.376,15 3.089,16 3.394,17 153.26,18 3.093,19 2.986,20 5.038,21 3.775,22 0.797,23 2.872,24 201.789,25 6,26 1.147,27 0.255,28 4.629,29 27.598,30 77.341,31 77.341,32 0.378,33 1.059,34 14.722,35 15.827,36 -0.621,37 4.225,38 0.664,39 2.417,40 5.926,41 5.926,42 3.482,43 -0.514,44 -0.514,45 11.952,46 4.555,47 17.112,48 425.256,49 1.232,50 3.624,51 1.26,52 642.94,53 -0.207,54 1.064,55 4.362,56 229.623,57 1.123,58 40.142,59 2.138,60 2.138,61 180.521,62 11.547,63 114.096,64 1.519,65 1.519,66 1.685,67 9.551,68 15.75,69 4.266,70 39.811,71 10.984,72 4.406,73 1.016,74 16.499,75 16.499,76 16.499,77 16.499,78 16.499,79 17.054,80 1.385,81 -0.481,82 -0.481,83 13255,84 3.932,85 1031,86 44.575,87 3.435,88 8.004,89 3.646,90 3.689,91 181.063,92 433.555,93 1.028,94 412,95 -1.242,96 -1.242,97 29.404,98 14.337,99 41.981,100 -1.619,101 -1.619,102 1.225,103 13.256,104 13.256,105 13.256,106 13.256,107 13.256,108 7.543,109 1.153,110 3.708,111 3.768,112 40.177,113 439.453,114 99.228,115 3.714,116 3.733,117 4.804,118 3.267,119 1,121 4.509,122 26239,123 5.472,124 1.171,125 4.875,126 130,127 5.333,128 194.131,129 2.985,130 4.61,131 14.073,132 119.967,133 1,134 2,135 4.171,136 18.234,137 25,138 3.332,139 3.332,140 5}
{0 CHEMBL1081312,1 2,3 3.413,4 3.27,5 3.477,6 3.256,7 8.233,8 3.31,9 3.543,10 0.846,11 73.909,12 11.81,13 6.328,14 1.691,15 2.938,16 3.4,17 156.011,18 3.219,19 2.979,20 5.079,21 3.491,22 1.061,23 3.033,24 219.375,25 2,26 1.464,27 0.629,28 4.577,29 26.784,30 61.034,31 61.034,32 0.4,33 1.237,34 14.548,35 13.106,36 -0.364,37 3.756,38 0.618,39 3,40 5.69,41 5.69,42 3.395,43 -0.286,44 -0.286,45 11.81,46 4.543,47 17.239,48 403.73,49 1.392,50 3.819,51 1.639,52 606.58,53 -0.261,54 1.396,55 3.246,56 184.793,57 1.507,58 43.113,59 1.996,60 1.996,61 187.66,62 10.782,63 106.039,64 1.533,65 1.533,66 1.676,67 9.779,68 17,69 3.609,70 43.162,71 10.782,72 4.862,73 1.245,74 16.792,75 16.792,76 16.792,77 16.792,78 16.792,79 17.155,80 1.686,81 0.983,82 0.983,83 8972,84 3.945,85 760,86 43.039,87 3.399,88 7.902,89 3.667,90 3.633,91 161.014,92 384.635,93 1.179,94 386,95 -0.672,96 -0.672,97 27.847,98 14.457,99 43.439,100 -1.644,101 -1.644,102 1.837,103 13.858,104 13.858,105 13.858,106 13.858,107 13.858,108 8.12,109 0.973,110 3.815,111 3.35,112 43.217,113 407.791,114 92.691,115 3.763,116 3.813,117 4.913,118 3.231,119 1.174,120 0.174,121 4.637,122 14821,123 5.111,124 1.618,125 4.934,126 138,127 5.398,128 197.66,129 2.949,130 4.558,131 15.011,132 110.695,133 0.6,134 9,135 3.92,136 16.096,137 24,138 3.367,139 3.367,140 5.9}
{0 CHEMBL1082440,1 3,3 3.424,4 3.298,5 3.479,6 3.32,7 9.015,8 3.45,9 3.575,10 0.701,11 73.491,12 11.304,13 7.692,14 1.476,15 3.236,16 3.36,17 147.607,18 3.38,19 3.209,20 4.825,21 3.602,22 0.75,23 2.589,24 183.379,25 2,26 1.326,27 0.231,28 4.594,29 26.422,30 70.336,31 70.336,32 -0.119,33 1.329,34 13.012,35 13.728,36 -1.052,37 3.491,38 -0.032,39 2.35,40 4.755,41 4.755,42 3.325,43 -0.738,44 -0.738,45 10.515,46 4.366,47 15.897,48 311.625,49 1.337,50 4.008,51 1.435,52 522.04,53 -0.707,54 1.321,55 2.916,56 203.207,57 1.439,58 35.958,59 1.717,60 1.717,61 197.555,62 11.108,63 92.107,64 1.321,65 1.321,66 1.654,67 8.514,68 14,69 3.283,70 35.969,71 9.826,72 6.241,73 1.29,74 14.584,75 14.584,76 14.584,77 14.584,78 14.584,79 14.907,80 1.528,81 -1.427,82 -1.427,83 6560,84 3.824,85 574,86 36.872,87 3.427,88 7.667,89 3.568,90 3.192,91 166.937,92 399.086,93 1.086,94 332,95 -1.77,96 -1.77,97 28.426,98 12.346,99 38.106,100 -2.475,101 -2.475,102 1,103 11.818,104 11.818,105 11.818,106 11.818,107 11.818,108 7.607,109 0.373,110 3.754,111 3.332,112 35.971,113 354.758,114 87.781,115 3.746,116 3.806,117 4.743,118 3.149,119 1.118,120 0.118,121 3.973,122 10220,123 4.778,124 0.965,125 4.779,126 118,127 5.242,128 213.82,129 2.686,130 4.437,131 13.568,132 97.41,133 0.667,134 14,135 3.852,136 15.992,137 22,138 3.219,139 3.219,140 5.4}
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{0 CHEMBL1087421,3 3.194,4 3.012,5 3.266,6 3.024,7 7.599,8 3.109,9 3.043,10 0.144,11 71.675,12 10.963,13 5.975,14 1.179,15 2.898,16 3.273,17 112.084,18 3.066,19 2.893,20 4.734,21 3.461,22 0.391,23 2.817,24 167.1,25 2,26 1.041,27 0.027,28 4.162,29 23.906,30 54.691,31 54.691,32 -0.209,33 0.932,34 12.329,35 13.558,36 -1.12,37 3.793,38 -0.037,39 2.304,40 4.977,41 4.977,42 2.864,43 -0.884,44 -0.884,45 10.097,46 4.305,47 14.664,48 326.246,49 1.012,50 3.74,51 1.196,52 535.94,53 -0.677,54 0.995,55 3.498,56 178.577,57 1.098,58 34.713,59 1.71,60 1.71,61 137.346,62 10.276,63 92.239,64 1.414,65 1.414,66 1.636,67 8.06,68 13.25,69 3.641,70 34.388,71 9.163,72 4.511,73 0.891,74 14.093,75 14.093,76 14.093,77 14.093,78 14.093,79 14.672,80 1.195,81 -1.734,82 -1.734,83 7641,84 3.782,85 524,86 36.283,87 3.312,88 7.498,89 3.287,90 3.21,91 157.365,92 375.731,93 0.867,94 341,95 -2.392,96 -2.392,97 25.364,98 12.276,99 36.495,100 -2.83,101 -2.83,102 0.818,103 11.249,104 11.249,105 11.249,106 11.249,107 11.249,108 6.496,109 0.721,110 3.658,111 3.401,112 34.626,113 363.645,114 87.774,115 3.475,116 3.66,117 4.682,118 3.105,119 1.125,120 0.125,121 3.707,122 14780,123 4.639,124 0.727,125 4.727,126 112,127 5.187,128 153.71,129 2.66,130 4.364,131 12.038,132 92.872,133 0.667,134 4,135 3.259,136 16.483,137 21,138 3.178,139 3.178,140 6.1}
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{0 CHEMBL1644625,1 2,3 3.643,4 3.477,5 3.696,6 3.454,7 9.089,8 3.433,9 3.7,10 1.294,11 88.958,12 14.276,13 6.489,14 1.524,15 3.212,16 3.547,17 140.811,18 3.384,19 3.241,20 5.084,21 3.635,22 1.96,23 3.118,24 267.328,25 4,26 1.161,27 1.62,28 4.102,29 31.477,30 69.516,31 69.516,32 1,33 1.246,34 17.179,35 15.28,36 0.838,37 3.916,38 1.07,39 3.247,40 6.067,41 6.067,42 3.65,43 0.629,44 0.629,45 14.276,46 4.82,47 20.178,48 486.496,49 1.362,50 3.941,51 1.308,52 722.17,53 0.623,54 1.123,55 3.662,56 203.01,57 1.471,58 49.871,59 2.093,60 2.093,61 184.604,62 12.706,63 138.881,64 1.618,65 1.618,66 1.721,67 12.092,68 19.5,69 3.831,70 49.374,71 12.706,72 4.603,73 1.238,74 20.223,75 20.223,76 20.223,77 20.223,78 20.223,79 20.567,80 1.46,81 2.136,82 2.136,83 17459,84 4.124,85 1390,86 50.693,87 3.542,88 8.419,89 3.786,90 4.145,91 191.541,92 459.12,93 1.134,94 466,95 1.499,96 1.499,97 32.296,98 16.905,99 50.151,102 2.5,103 16.353,104 16.353,105 16.353,106 16.353,107 16.353,108 8.973,109 1.424,110 3.906,111 3.601,112 49.382,113 493.147,114 109.262,115 3.829,116 3.889,117 5.08,118 3.409,119 1.074,120 0.074,121 5.789,122 31035,123 6.306,124 2.233,125 5.069,126 158,127 5.525,128 229.624,129 3.052,130 4.828,131 16.606,132 146.566,133 0.8,134 9,135 4.592,136 19.631,137 29,138 3.526,139 3.526,140 6.959}
{0 CHEMBL1644626,1 2,3 3.642,4 3.475,5 3.694,6 3.453,7 9.079,8 3.433,9 3.702,10 1.294,11 89.004,12 14.276,13 6.516,14 1.524,15 3.211,16 3.547,17 143.022,18 3.384,19 3.24,20 5.084,21 3.635,22 1.96,23 3.118,24 267.328,25 4,26 1.161,27 1.62,28 4.257,29 31.477,30 69.516,31 69.516,32 1,33 1.241,34 17.179,35 15.28,36 0.838,37 3.916,38 1.07,39 3.247,40 6.067,41 6.067,42 3.653,43 0.629,44 0.629,45 14.276,46 4.82,47 20.178,48 484.144,49 1.36,50 3.948,51 1.308,52 718.83,53 0.623,54 1.123,55 3.659,56 202.871,57 1.471,58 49.871,59 2.093,60 2.093,61 191.57,62 12.706,63 140.881,64 1.618,65 1.618,66 1.721,67 12.092,68 19.5,69 3.83,70 49.374,71 12.706,72 4.616,73 1.232,74 20.223,75 20.223,76 20.223,77 20.223,78 20.223,79 20.564,80 1.459,81 2.136,82 2.136,83 17503,84 4.124,85 1390,86 50.693,87 3.542,88 8.419,89 3.784,90 4.145,91 191.541,92 459.12,93 1.129,94 464,95 1.499,96 1.499,97 32.296,98 16.893,99 50.151,102 2.5,103 16.353,104 16.353,105 16.353,106 16.353,107 16.353,108 8.962,109 1.424,110 3.909,111 3.6,112 49.37,113 491.746,114 108.949,115 3.823,116 3.895,117 5.08,118 3.409,119 1.074,120 0.074,121 5.789,122 31211,123 6.306,124 2.233,125 5.069,126 158,127 5.525,128 232.379,129 3.053,130 4.828,131 16.615,132 146.566,133 0.8,134 8,135 4.59,136 19.631,137 29,138 3.526,139 3.526,140 6.022}
{0 CHEMBL1644627,1 2,3 3.633,4 3.473,5 3.68,6 3.453,7 9.453,8 3.433,9 3.643,10 1.219,11 90.499,12 14.23,13 7.006,14 1.51,15 3.21,16 3.513,17 146.928,18 3.383,19 3.239,20 5.088,21 3.691,22 1.96,23 3.118,24 256.451,25 4,26 1.293,27 1.416,28 4.457,29 30.138,30 71.226,31 71.226,32 0.693,33 1.294,34 16.602,35 15.35,36 0.838,37 3.937,38 1.07,39 3.162,40 6.086,41 6.086,42 3.574,43 0.618,44 0.618,45 13.776,46 4.769,47 19.503,48 486.896,49 1.402,50 3.925,51 1.309,52 743.92,53 0.486,54 1.243,55 3.732,56 215.991,57 1.343,58 48.663,59 2.095,60 2.095,61 187.193,62 12.962,63 132.606,64 1.618,65 1.618,66 1.713,67 11.592,68 19,69 3.865,70 48.135,71 12.352,72 5.038,73 1.3,74 19.516,75 19.516,76 19.516,77 19.516,78 19.516,79 20.089,80 1.476,81 1.499,82 1.499,83 16435,84 4.089,85 1252,86 49.337,87 3.528,88 8.32,89 3.716,90 4.061,91 186.414,92 446.611,93 1.161,94 478,95 1.372,96 1.372,97 31.182,98 16.783,99 48.612,100 -0.368,101 -0.368,102 2.233,103 15.853,104 15.853,105 15.853,106 15.853,107 15.853,108 8.535,109 1.248,110 3.875,111 3.611,112 48.027,113 506.807,114 107.732,115 3.765,116 3.858,117 5.053,118 3.375,119 1.077,120 0.077,121 5.539,122 30447,123 6.056,124 2.118,125 5.043,126 154,127 5.501,128 215.722,129 3.036,130 4.777,131 16.153,132 139.48,133 0.8,134 9,135 4.46,136 19.278,137 28,138 3.497,139 3.497,140 6.187}
{0 CHEMBL1644628,1 2,3 3.66,4 3.485,5 3.715,6 3.46,7 10.134,8 3.494,9 3.911,10 1.96,11 93.968,12 15.187,13 7.426,14 1.631,15 3.282,16 3.651,17 172.517,18 3.424,19 3.279,20 5.274,21 3.689,22 2.233,23 3.118,24 290.847,25 5,26 1.433,27 1.875,28 4.192,29 35.036,30 76.478,31 76.478,32 1.054,33 1.317,34 18.411,35 16.987,36 1.126,37 3.993,38 1.072,39 3.421,40 6.611,41 6.611,42 3.837,43 0.908,44 0.908,45 15.187,46 4.907,47 21.881,48 480.75,49 1.515,50 4.141,51 1.653,52 717.52,53 0.875,54 1.363,55 3.775,56 213.345,57 1.474,58 53.273,59 2.167,60 2.167,61 218,62 13.577,63 147.58,64 1.72,65 1.72,66 1.738,67 12.731,68 20,69 3.928,70 52.697,71 13.577,72 5.346,73 1.34,74 21.43,75 21.43,76 21.43,77 21.43,78 21.43,79 21.711,80 1.643,81 2.342,82 2.342,83 20102,84 4.184,85 1659,86 53.97,87 3.668,88 8.609,89 3.936,90 4.283,91 213.524,92 512.757,93 1.161,94 463,95 2.136,96 2.136,97 36.574,98 17.757,99 53.754,100 1.499,101 1.499,102 2.5,103 17.314,104 17.314,105 17.314,106 17.314,107 17.314,108 10.033,109 1.44,110 4.02,111 3.62,112 52.697,113 489.589,114 121.844,115 4.001,116 4.074,117 5.128,118 3.472,119 1.074,120 0.074,121 6.063,122 33899,123 6.75,124 2.332,125 5.13,126 168,127 5.587,128 265.303,129 3.124,130 4.925,131 18.139,132 160.782,133 0.8,134 9,135 4.904,136 21.209,137 31,138 3.584,139 3.584,140 5.301}
{0 CHEMBL1644629,1 2,3 3.501,4 3.319,5 3.546,6 3.3,7 8.023,8 3.43,9 3.492,10 0.885,11 79.11,12 12.614,13 5.83,14 1.516,15 3.193,16 3.423,17 147.156,18 3.38,19 3.223,20 5.039,21 3.521,22 1.172,23 3.118,24 227.483,25 3,26 1.161,27 0.791,28 4.332,29 28.171,30 66.736,31 66.736,32 0.606,33 1.2,34 15.154,35 13.932,36 -0.294,37 3.787,38 0.695,39 2.719,40 5.711,41 5.711,42 3.456,43 -0.223,44 -0.223,45 12.614,46 4.637,47 17.858,48 441.668,49 1.34,50 3.834,51 1.307,52 650.97,53 -0.225,54 1.122,55 3.479,56 180.341,57 1.396,58 44.24,59 2.008,60 2.008,61 177.621,62 11.596,63 122.211,64 1.618,65 1.618,66 1.694,67 10.43,68 17.25,69 3.69,70 43.711,71 11.596,72 3.986,73 1.176,74 17.654,75 17.654,76 17.654,77 17.654,78 17.654,79 17.892,80 1.456,81 -0.381,82 -0.381,83 12856,84 4.003,85 1020,86 45.568,87 3.413,88 8.113,89 3.605,90 3.759,91 173.214,92 414.402,93 1.107,94 420,95 -0.566,96 -0.566,97 28.745,98 14.725,99 45.082,100 -1.521,101 -1.521,102 1.96,103 14.353,104 14.353,105 14.353,106 14.353,107 14.353,108 7.909,109 1.19,110 3.78,111 3.408,112 43.674,113 445.88,114 95.702,115 3.637,116 3.741,117 4.958,118 3.305,119 1.095,120 0.095,121 4.968,122 23095,123 5.639,124 1.222,125 4.949,126 140,127 5.407,128 204.15,129 3,130 4.67,131 14.543,132 125.656,133 0.75,134 9,135 4.116,136 18.096,137 26,138 3.401,139 3.401,140 5.824}
{0 CHEMBL1644630,1 2,3 3.652,4 3.48,5 3.706,6 3.455,7 9.128,8 3.435,9 3.651,10 1.172,11 85.545,12 13.687,13 6.913,14 1.51,15 3.214,16 3.532,17 165.775,18 3.386,19 3.243,20 5.288,21 3.61,22 1.222,23 3.118,24 256.368,25 4,26 1.161,27 0.826,28 4.441,29 30.697,30 71.798,31 71.798,32 0.694,33 1.31,34 16.886,35 14.923,36 -0.161,37 3.885,38 1.071,39 3.162,40 6.665,41 6.665,42 3.603,43 -0.136,44 -0.136,45 13.687,46 4.757,47 19.65,48 465.668,49 1.376,50 3.919,51 1.513,52 691.46,53 -0.131,54 1.122,55 3.626,56 203.338,57 1.367,58 49.19,59 2.176,60 2.176,61 199.849,62 12.517,63 132.606,64 1.618,65 1.618,66 1.713,67 11.245,68 18.75,69 3.797,70 48.436,71 12.517,72 4.592,73 1.334,74 19.309,75 19.309,76 19.309,77 19.309,78 19.309,79 19.558,80 1.454,81 1.499,82 1.499,83 15634,84 4.078,85 1256,86 50.711,87 3.53,88 8.322,89 3.749,90 4.063,91 185.005,92 443.173,93 1.153,94 444,95 -0.357,96 -0.357,97 31.506,98 16.191,99 49.909,100 -0.562,101 -0.562,102 2.233,103 15.814,104 15.814,105 15.814,106 15.814,107 15.814,108 9.014,109 1.44,110 3.869,111 3.608,112 48.393,113 469.704,114 103.101,115 3.797,116 3.862,117 5.045,118 3.375,119 1.083,120 0.083,121 5.34,122 27561,123 6,124 1.96,125 5.056,126 156,127 5.517,128 226.379,129 3.133,130 4.777,131 16.747,132 139.5,133 0.8,134 9,135 4.598,136 19.087,137 28,138 3.497,139 3.497,140 6.357}
{0 CHEMBL1644631,1 2,3 3.658,4 3.483,5 3.712,6 3.457,7 9.684,8 3.437,9 3.821,10 1.96,11 94.545,12 15.187,13 6.969,14 1.542,15 3.221,16 3.616,17 148.172,18 3.389,19 3.249,20 5.274,21 3.688,22 2.233,23 3.216,24 290.847,25 4,26 1.232,27 1.875,28 4.05,29 33.697,30 74.943,31 74.943,32 1.071,33 1.294,34 18.294,35 16.318,36 1.126,37 3.988,38 1.189,39 3.421,40 6.611,41 6.611,42 3.772,43 0.908,44 0.908,45 15.187,46 4.907,47 21.461,48 513.668,49 1.459,50 3.989,51 1.356,52 763.75,53 0.875,54 1.193,55 3.779,56 215.338,57 1.472,58 53.265,59 2.167,60 2.167,61 194.411,62 13.577,63 149.58,64 1.72,65 1.72,66 1.738,67 12.731,68 20.25,69 3.929,70 52.697,71 13.577,72 4.959,73 1.317,74 21.43,75 21.43,76 21.43,77 21.43,78 21.43,79 21.679,80 1.477,81 2.342,82 2.342,83 21308,84 4.184,85 1659,86 54.982,87 3.614,88 8.609,89 3.876,90 4.283,91 205,92 491.96,93 1.161,94 492,95 2.136,96 2.136,97 34.506,98 17.691,99 53.754,100 1.499,101 1.499,102 2.534,103 17.314,104 17.314,105 17.314,106 17.314,107 17.314,108 9.57,109 1.44,110 3.979,111 3.62,112 52.677,113 521.1,114 115.874,115 3.912,116 3.942,117 5.146,118 3.472,119 1.074,120 0.074,121 6.063,122 38170,123 6.75,124 2.5,125 5.13,126 168,127 5.587,128 241.714,129 3.125,130 4.925,131 17.691,132 160.782,133 0.8,134 11,135 4.974,136 21.209,137 31,138 3.584,139 3.584,140 5.357}
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{0 CHEMBL1644633,1 2,3 3.645,4 3.482,5 3.696,6 3.46,7 9.951,8 3.479,9 3.803,10 1.311,11 92.156,12 14.67,13 7.439,14 1.535,15 3.219,16 3.607,17 199.364,18 3.421,19 3.256,20 5.115,21 3.687,22 2,23 3.277,24 279.931,25 4,26 1.164,27 1.682,28 4.662,29 33.772,30 82.698,31 82.698,32 1.089,33 1.368,34 18.353,35 16.337,36 0.906,37 3.974,38 1.18,39 3.274,40 6.176,41 6.176,42 3.753,43 0.692,44 0.692,45 14.67,46 4.859,47 21.232,48 472.231,49 1.401,50 4.071,51 1.513,52 700.89,53 0.684,54 1.126,55 3.75,56 211.835,57 1.482,58 51.339,59 2.212,60 2.212,61 242.423,62 13.34,63 143.207,64 1.888,65 1.888,66 1.73,67 12.229,68 20.25,69 3.887,70 50.957,71 13.34,72 5.37,73 1.376,74 20.67,75 20.67,76 20.67,77 20.67,78 20.67,79 21.119,80 1.465,81 2.136,82 2.136,83 18650,84 4.154,85 1532,86 52.594,87 3.606,88 8.513,89 3.872,90 4.2,91 204.319,92 490.299,93 1.153,94 450,95 1.682,96 1.682,97 35.034,98 17.53,99 52.056,102 2.25,103 16.836,104 16.836,105 16.836,106 16.836,107 16.836,108 9.801,109 1.618,110 3.994,111 3.583,112 50.957,113 476.834,114 115.989,115 3.939,116 4.016,117 5.064,118 3.441,119 1.074,120 0.074,121 5.867,122 32145,123 6.472,124 2.002,125 5.106,126 164,127 5.565,128 264.423,129 3.187,130 4.875,131 17.864,132 153.616,133 0.8,134 9,135 4.815,136 20.501,137 30,138 3.555,139 3.555,140 5.276}
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{0 CHEMBL1644637,1 2,3 3.639,4 3.476,5 3.69,6 3.457,7 10.235,8 3.433,9 3.827,10 1.31,11 95.143,12 14.975,13 7.701,14 1.524,15 3.215,16 3.605,17 193.134,18 3.388,19 3.245,20 5.102,21 3.726,22 2,23 3.307,24 281.645,25 4,26 1.159,27 1.762,28 4.724,29 33.579,30 84.037,31 84.037,32 1.148,33 1.356,34 18.385,35 16.894,36 0.942,37 4.052,38 1.18,39 3.36,40 6.089,41 6.089,42 3.764,43 0.814,44 0.814,45 14.687,46 4.859,47 21.225,48 481.249,49 1.376,50 4.065,51 1.513,52 729.79,53 0.747,54 1.123,55 3.831,56 223.713,57 1.471,58 51.323,59 2.132,60 2.132,61 236.193,62 13.604,63 143.207,64 1.921,65 1.921,66 1.73,67 12.253,68 20.25,69 4.105,70 50.962,71 13.234,72 5.664,73 1.376,74 20.723,75 20.723,76 20.723,77 20.723,78 20.723,79 21.262,80 1.46,81 2.136,82 2.136,83 19161,84 4.154,85 1508,86 52.865,87 3.609,88 8.52,89 3.903,90 4.174,91 205.858,92 494.053,93 1.153,94 467,95 2.035,96 2.035,97 34.887,98 17.709,99 52.265,102 2.388,103 16.82,104 16.82,105 16.82,106 16.82,107 16.82,108 9.746,109 1.458,110 3.995,111 3.608,112 51.109,113 494.228,114 116.094,115 3.955,116 4.012,117 5.064,118 3.441,119 1.074,120 0.074,121 5.841,122 34421,123 6.5,124 2.017,125 5.106,126 164,127 5.565,128 260.193,129 3.08,130 4.877,131 17.863,132 153.156,133 0.8,134 8,135 4.826,136 21.001,137 30,138 3.555,139 3.555,140 6.824}
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{0 CHEMBL1681996,1 1,3 3.473,4 3.281,5 3.508,6 3.272,7 8.081,8 3.287,9 3.414,10 0.56,11 77.981,12 12.037,13 5.638,14 1.491,15 2.956,16 3.335,17 156.048,18 3.22,19 2.972,20 5.051,21 3.502,22 0.672,23 2.747,24 179.559,25 7,26 1.266,27 0.393,28 4.684,29 26.777,30 69.39,31 69.39,32 0.52,33 1.107,34 14.564,35 14.106,36 -0.697,37 3.68,38 0.754,39 2.135,40 5.707,41 5.707,42 3.332,43 -0.593,44 -0.593,45 11.583,46 4.498,47 16.242,48 377.335,49 1.329,50 3.649,51 1.508,52 570.15,53 -0.573,54 1.247,55 3.38,56 165.01,57 1.392,58 37.573,59 2.034,60 2.034,61 187.367,62 10.272,63 104.039,64 1.139,65 1.139,66 1.669,67 9.707,68 14.75,69 3.544,70 35.858,71 9.721,72 4.063,73 1.117,74 16.248,75 16.248,76 16.248,77 16.248,78 16.248,79 16.835,80 1.514,81 -0.701,82 -0.701,83 11522,84 3.888,85 838,86 40.057,87 3.362,88 7.86,89 3.452,90 3.549,91 173.411,92 414.884,93 1.13,94 368,95 -0.978,96 -0.978,97 27.807,98 12.884,99 38.393,100 -1.908,101 -1.908,102 1.159,103 12.158,104 12.158,105 12.158,106 12.158,107 12.158,108 7.151,109 1.038,110 3.637,111 3.414,112 35.742,113 395.543,114 90.549,115 3.573,116 3.624,117 4.785,118 3.228,119 1,121 4.335,122 20766,123 5.667,124 1.111,125 4.762,126 116,127 5.209,128 191.367,129 2.995,130 4.554,131 12.431,132 115.156,133 1,134 9,135 3.653,136 17.88,137 24,138 3.258,139 3.258,140 6.032}
{0 CHEMBL1681997,1 1,3 3.475,4 3.289,5 3.508,6 3.283,7 8.146,8 3.289,9 3.488,10 0.56,11 77.627,12 12.037,13 5.671,14 1.492,15 3.101,16 3.353,17 162.831,18 3.226,19 3.072,20 5.051,21 3.5,22 0.672,23 2.747,24 179.559,25 7,26 1.269,27 0.393,28 4.735,29 27.282,30 67.114,31 67.114,32 0.243,33 1.149,34 14.564,35 14.236,36 -0.697,37 3.679,38 0.642,39 2.135,40 5.707,41 5.707,42 3.381,43 -0.593,44 -0.593,45 11.583,46 4.498,47 16.333,48 367.926,49 1.337,50 3.703,51 1.517,52 558.65,53 -0.573,54 1.249,55 3.382,56 164.344,57 1.398,58 37.573,59 2.034,60 2.034,61 194.15,62 10.272,63 106.039,64 1.139,65 1.139,66 1.669,67 9.707,68 14.5,69 3.532,70 35.858,71 9.721,72 4.098,73 1.131,74 16.248,75 16.248,76 16.248,77 16.248,78 16.248,79 16.825,80 1.516,81 -0.701,82 -0.701,83 11212,84 3.888,85 838,86 37.998,87 3.388,88 7.86,89 3.495,90 3.549,91 176.209,92 421.711,93 1.131,94 360,95 -0.978,96 -0.978,97 28.563,98 12.863,99 38.393,100 -1.908,101 -1.908,102 1.159,103 12.158,104 12.158,105 12.158,106 12.158,107 12.158,108 7.224,109 1,110 3.65,111 3.414,112 35.77,113 386.547,114 92.915,115 3.63,116 3.663,117 4.785,118 3.228,119 1,121 4.335,122 19680,123 5.667,124 1.111,125 4.762,126 116,127 5.209,128 198.15,129 2.997,130 4.554,131 12.489,132 115.156,133 1,134 10,135 3.624,136 17.88,137 24,138 3.258,139 3.258,140 4.547}
{0 CHEMBL1681998,1 1,3 3.446,4 3.264,5 3.481,6 3.24,7 8.918,8 3.391,9 3.519,10 0.774,11 83.198,12 13.034,13 6.652,14 1.57,15 3.065,16 3.464,17 161.421,18 3.359,19 3.094,20 4.867,21 3.58,22 1.163,23 3.003,24 206.816,25 6,26 1.281,27 0.772,28 4.573,29 29.589,30 71.963,31 71.963,32 0.752,33 1.137,34 15.244,35 15.3,36 -0.308,37 3.627,38 1,39 2.544,40 5.199,41 5.199,42 3.426,43 -0.239,44 -0.239,45 12.58,46 4.628,47 18.03,48 390.584,49 1.297,50 3.833,51 1.56,52 598.44,53 -0.238,54 1.253,55 3.443,56 182.686,57 1.443,58 41.499,59 1.996,60 1.996,61 201.195,62 11.584,63 114.211,64 1.602,65 1.602,66 1.686,67 10.433,68 16,69 3.48,70 41.035,71 11.033,72 4.963,73 1.102,74 17.577,75 17.577,76 17.577,77 17.577,78 17.577,79 18.01,80 1.574,81 0.097,82 0.097,83 14534,84 3.983,85 990,86 43.41,87 3.506,88 8.07,89 3.481,90 3.841,91 187.871,92 450.166,93 1.151,94 386,95 -0.545,96 -0.545,97 31.114,98 14.281,99 43.262,100 -1.514,101 -1.514,102 1.48,103 13.743,104 13.743,105 13.743,106 13.743,107 13.743,108 8.012,109 1.032,110 3.797,111 3.386,112 40.889,113 414.651,114 101.62,115 3.611,116 3.748,117 4.885,118 3.303,119 1,121 4.859,122 25896,123 5.861,124 1.337,125 4.89,126 132,127 5.342,128 212.705,129 2.955,130 4.674,131 14.315,132 129.458,133 1,134 9,135 4.007,136 18.872,137 26,138 3.367,139 3.367,140 5.736}
{0 CHEMBL1681999,1 2,3 3.532,4 3.348,5 3.579,6 3.339,7 10.082,8 3.473,9 3.776,10 1.229,11 93.617,12 14.517,13 7.366,14 1.572,15 3.234,16 3.554,17 205.12,18 3.426,19 3.245,20 5.09,21 3.7,22 1.479,23 3.003,24 229.405,25 10,26 1.345,27 1.149,28 5.133,29 33.379,30 87.387,31 87.387,32 0.845,33 1.496,34 17.38,35 17.199,36 0.295,37 3.778,38 1,39 2.994,40 6.034,41 6.034,42 3.676,43 0.263,44 0.263,45 14.063,46 4.792,47 20.24,48 433.856,49 1.54,50 3.917,51 1.586,52 652.26,53 0.227,54 1.3,55 3.65,56 199.701,57 1.455,58 45.265,59 2.092,60 2.092,61 266.913,62 12.727,63 136.881,64 1.628,65 1.628,66 1.711,67 11.827,68 18.75,69 3.696,70 44.718,71 12.176,72 5.307,73 1.511,74 19.646,75 19.646,76 19.646,77 19.646,78 19.646,79 20.327,80 1.583,81 1.03,82 1.03,83 21386,84 4.087,85 1497,86 46.828,87 3.584,88 8.363,89 3.683,90 4.251,91 211.182,92 507.043,93 1.291,94 421,95 0.427,96 0.427,97 35.097,98 16.183,99 46.567,100 0.027,101 0.027,102 2.118,103 15.238,104 15.238,105 15.238,106 15.238,107 15.238,108 9.115,109 1.324,110 3.882,111 3.439,112 44.569,113 452.865,114 111.91,115 3.807,116 3.873,117 4.942,118 3.407,119 1,121 5.55,122 38002,123 6.583,124 1.628,125 4.977,126 144,127 5.425,128 270.913,129 3.029,130 4.826,131 15.881,132 152.823,133 1,134 10,135 4.422,136 20.993,137 29,138 3.466,139 3.466,140 5.344}
{0 CHEMBL1682000,1 1,3 3.563,4 3.388,5 3.619,6 3.395,7 11.349,8 3.489,9 3.892,10 1.23,11 96.117,12 15.017,13 8.467,14 1.641,15 3.251,16 3.645,17 206.01,18 3.449,19 3.268,20 5.09,21 3.731,22 1.479,23 3.002,24 239.301,25 10,26 1.465,27 1.154,28 4.711,29 36.464,30 93.165,31 93.165,32 1,33 1.429,34 18.708,35 18.556,36 0.298,37 3.816,38 1.032,39 3.02,40 6.034,41 6.034,42 3.772,43 0.267,44 0.267,45 14.563,46 4.843,47 21.623,48 398.039,49 1.571,50 4.06,51 1.602,52 603.08,53 0.231,54 1.441,55 3.688,56 202.174,57 1.501,58 46.319,59 2.092,60 2.092,61 282.639,62 13.08,63 139.207,64 1.639,65 1.639,66 1.72,67 12.327,68 18.75,69 3.746,70 46.099,71 12.529,72 6.255,73 1.376,74 20.353,75 20.353,76 20.353,77 20.353,78 20.353,79 20.965,80 1.648,81 1.169,82 1.169,83 21492,84 4.122,85 1650,86 48.421,87 3.699,88 8.46,89 3.774,90 4.34,91 229.427,92 551.561,93 1.288,94 388,95 0.443,96 0.443,97 39.137,98 16.583,99 48.13,100 0.082,101 0.082,102 2,103 15.738,104 15.738,105 15.738,106 15.738,107 15.738,108 10.395,109 1.461,110 3.988,111 3.443,112 45.976,113 416.155,114 120.13,115 3.914,116 4,117 4.918,118 3.439,119 1,121 5.8,122 34093,123 6.833,124 1.619,125 5.004,126 148,127 5.451,128 301.394,129 3.03,130 4.876,131 17.385,132 160.207,133 1,134 9,135 4.609,136 21.7,137 30,138 3.497,139 3.497,140 6.213}
{0 CHEMBL1682001,1 1,3 3.548,4 3.369,5 3.6,6 3.373,7 10.849,8 3.483,9 3.852,10 1.197,11 93.117,12 14.517,13 8.114,14 1.666,15 3.246,16 3.605,17 199.248,18 3.439,19 3.26,20 5.09,21 3.702,22 1.479,23 3.002,24 229.405,25 10,26 1.474,27 1.15,28 4.723,29 34.937,30 89.761,31 89.761,32 0.858,33 1.564,34 18.001,35 17.849,36 0.294,37 3.785,38 1,39 2.994,40 6.034,41 6.034,42 3.733,43 0.263,44 0.263,45 14.063,46 4.792,47 20.807,48 394.039,49 1.573,50 3.994,51 1.626,52 597.32,53 0.227,54 1.454,55 3.656,56 198.174,57 1.507,58 44.819,59 2.092,60 2.092,61 269.191,62 12.727,63 132.881,64 1.628,65 1.628,66 1.711,67 11.827,68 18.25,69 3.705,70 44.718,71 12.176,72 6.005,73 1.551,74 19.646,75 19.646,76 19.646,77 19.646,78 19.646,79 20.258,80 1.663,81 1.03,82 1.03,83 19687,84 4.087,85 1497,86 46.806,87 3.655,88 8.363,89 3.726,90 4.251,91 219.834,92 528.156,93 1.33,94 384,95 0.427,96 0.427,97 37.375,98 16.083,99 46.567,100 0.027,101 0.027,102 1.618,103 15.238,104 15.238,105 15.238,106 15.238,107 15.238,108 9.895,109 1.328,110 3.948,111 3.438,112 44.604,113 411.993,114 115.529,115 3.861,116 3.941,117 4.896,118 3.407,119 1,121 5.55,122 31751,123 6.583,124 1.566,125 4.977,126 144,127 5.425,128 281.455,129 3.03,130 4.826,131 16.719,132 152.823,133 1,134 9,135 4.465,136 20.993,137 29,138 3.466,139 3.466,140 5.59}
{0 CHEMBL1682002,1 1,3 3.368,4 3.193,5 3.409,6 3.184,7 7.991,8 3.389,9 3.452,10 0.5,11 74.253,12 11.551,13 6.078,14 1.571,15 3.065,16 3.345,17 152.621,18 3.343,19 3.094,20 4.869,21 3.488,22 0.621,23 3.006,24 181.552,25 5,26 1.274,27 0.196,28 4.785,29 26.062,30 65.889,31 65.889,32 0.292,33 1.205,34 13.43,35 13.621,36 -0.929,37 3.57,38 0.631,39 2.337,40 5.186,41 5.186,42 3.341,43 -0.754,44 -0.754,45 11.097,46 4.443,47 15.964,48 359.444,49 1.298,50 3.666,51 1.55,52 554.91,53 -0.678,54 1.236,55 3.472,56 172.352,57 1.405,58 37.554,59 1.935,60 1.935,61 186.621,62 10.451,63 104.042,64 1.547,65 1.547,66 1.658,67 9.036,68 14.5,69 3.423,70 37.106,71 9.9,72 4.655,73 1.183,74 15.508,75 15.508,76 15.508,77 15.508,78 15.508,79 15.927,80 1.576,81 -0.689,82 -0.689,83 9516,84 3.864,85 675,86 39.236,87 3.382,88 7.748,89 3.341,90 3.484,91 164.949,92 394.236,93 1.144,94 355,95 -1.859,96 -1.859,97 27.352,98 12.785,99 39.444,100 -2.271,101 -2.271,102 1.231,103 12.254,104 12.254,105 12.254,106 12.254,107 12.254,108 7.084,109 1,110 3.698,111 3.377,112 36.915,113 380.851,114 89.727,115 3.461,116 3.557,117 4.794,118 3.188,119 1.143,120 0.143,121 4.152,122 16750,123 5.139,124 1.156,125 4.796,126 120,127 5.252,128 194.621,129 2.919,130 4.502,131 12.892,132 107.409,133 0.667,134 7,135 3.613,136 16.751,137 23,138 3.258,139 3.258,140 5.382}
{0 CHEMBL1682003,1 1,3 3.38,4 3.222,5 3.424,6 3.212,7 8.127,8 3.391,9 3.429,10 0.741,11 77.707,12 12.051,13 6.06,14 1.538,15 3.065,16 3.356,17 151.866,18 3.355,19 3.094,20 4.869,21 3.525,22 0.882,23 3.011,24 192.209,25 5,26 1.283,27 0.335,28 4.715,29 26.557,30 68.531,31 68.531,32 0.404,33 1.139,34 14.007,35 14.015,36 -0.888,37 3.616,38 0.681,39 2.349,40 5.188,41 5.188,42 3.349,43 -0.618,44 -0.618,45 11.597,46 4.507,47 16.486,48 392.401,49 1.309,50 3.694,51 1.536,52 601.29,53 -0.586,54 1.249,55 3.518,56 178.239,57 1.361,58 38.654,59 1.944,60 1.944,61 183.866,62 10.804,63 110.039,64 1.618,65 1.618,66 1.67,67 9.536,68 15.5,69 3.501,70 38.276,71 10.254,72 4.564,73 1.116,74 16.215,75 16.215,76 16.215,77 16.215,78 16.215,79 16.698,80 1.545,81 -0.59,82 -0.59,83 10993,84 3.907,85 764,86 40.689,87 3.382,88 7.872,89 3.375,90 3.562,91 168.816,92 403.671,93 1.159,94 385,95 -1.478,96 -1.478,97 27.597,98 13.391,99 40.814,100 -1.805,101 -1.805,102 1.323,103 12.754,104 12.754,105 12.754,106 12.754,107 12.754,108 7.206,109 1.082,110 3.69,111 3.377,112 38.122,113 413.083,114 90.033,115 3.479,116 3.614,117 4.828,118 3.228,119 1.133,120 0.133,121 4.399,122 20003,123 5.389,124 1.162,125 4.828,126 124,127 5.283,128 190.621,129 2.917,130 4.563,131 13.118,132 113.883,133 0.667,134 10,135 3.748,136 17.458,137 24,138 3.296,139 3.296,140 6.116}
{0 CHEMBL1682004,1 1,3 3.393,4 3.25,5 3.435,6 3.241,7 8.267,8 3.391,9 3.495,10 0.741,11 77.253,12 12.051,13 6.206,14 1.549,15 3.065,16 3.382,17 153.616,18 3.357,19 3.094,20 4.869,21 3.517,22 0.882,23 3.011,24 192.209,25 5,26 1.291,27 0.357,28 4.744,29 27.062,30 67.064,31 67.064,32 0.404,33 1.14,34 14.007,35 14.145,36 -0.888,37 3.617,38 0.681,39 2.349,40 5.188,41 5.188,42 3.393,43 -0.618,44 -0.618,45 11.597,46 4.507,47 16.616,48 375.936,49 1.312,50 3.74,51 1.564,52 578.83,53 -0.6,54 1.263,55 3.512,56 176.186,57 1.398,58 38.654,59 1.944,60 1.944,61 189.758,62 10.804,63 110.039,64 1.618,65 1.618,66 1.67,67 9.536,68 15,69 3.485,70 38.276,71 10.254,72 4.718,73 1.125,74 16.215,75 16.215,76 16.215,77 16.215,78 16.215,79 16.637,80 1.56,81 -0.59,82 -0.59,83 10741,84 3.907,85 764,86 40.689,87 3.42,88 7.872,89 3.404,90 3.562,91 171.614,92 410.498,93 1.162,94 371,95 -1.478,96 -1.478,97 28.352,98 13.291,99 40.814,100 -1.805,101 -1.805,102 1.323,103 12.754,104 12.754,105 12.754,106 12.754,107 12.754,108 7.362,109 1.082,110 3.722,111 3.378,112 38.126,113 397.888,114 92.562,115 3.525,116 3.642,117 4.828,118 3.228,119 1.133,120 0.133,121 4.399,122 19093,123 5.389,124 1.162,125 4.828,126 124,127 5.283,128 201.367,129 2.918,130 4.563,131 13.311,132 113.883,133 0.667,134 10,135 3.749,136 17.458,137 24,138 3.296,139 3.296,140 6.388}
{0 CHEMBL1682005,1 2,3 3.447,4 3.266,5 3.491,6 3.252,7 8.734,8 3.392,9 3.568,10 0.655,11 80.378,12 12.461,13 6.651,14 1.572,15 3.065,16 3.415,17 159.945,18 3.36,19 3.094,20 4.881,21 3.566,22 0.948,23 2.961,24 205.851,25 5,26 1.302,27 0.598,28 4.693,29 28.304,30 73.212,31 73.212,32 0.683,33 1.161,34 14.937,35 14.813,36 -0.517,37 3.705,38 0.997,39 2.454,40 5.246,41 5.246,42 3.48,43 -0.416,44 -0.416,45 12.007,46 4.555,47 17.343,48 394.629,49 1.35,50 3.822,51 1.594,52 602.99,53 -0.416,54 1.273,55 3.62,56 187.761,57 1.424,58 40.772,59 2.005,60 2.005,61 201.82,62 11.332,63 114.096,64 1.62,65 1.62,66 1.682,67 9.712,68 16,69 3.645,70 40.177,71 10.781,72 5.124,73 1.175,74 16.715,75 16.715,76 16.715,77 16.715,78 16.715,79 17.142,80 1.582,81 -0.423,82 -0.423,83 11724,84 3.944,85 845,86 42.958,87 3.447,88 7.999,89 3.467,90 3.589,91 178.538,92 427.392,93 1.165,94 385,95 -0.992,96 -0.992,97 29.568,98 13.77,99 42.912,100 -1.839,101 -1.839,102 1.479,103 13.221,104 13.221,105 13.221,106 13.221,107 13.221,108 7.806,109 1.184,110 3.773,111 3.38,112 40.045,113 412.656,114 94.812,115 3.565,116 3.699,117 4.842,118 3.267,119 1.133,120 0.133,121 4.474,122 20811,123 5.583,124 1.167,125 4.875,126 130,127 5.333,128 215.82,129 2.96,130 4.622,131 14.072,132 119.874,133 0.667,134 9,135 4.004,136 18.328,137 25,138 3.332,139 3.332,140 6.153}
{0 CHEMBL1682006,1 1,3 3.479,4 3.297,5 3.512,6 3.274,7 8.348,8 3.289,9 3.5,10 0.503,11 77.336,12 12.017,13 6.32,14 1.505,15 2.95,16 3.376,17 162.814,18 3.219,19 2.952,20 5.017,21 3.533,22 0.624,23 3,24 188.536,25 5,26 1.29,27 0.255,28 4.576,29 27.39,30 71.932,31 71.932,32 0.393,33 1.243,34 13.974,35 14.53,36 -0.83,37 3.641,38 0.652,39 2.406,40 5.823,41 5.823,42 3.366,43 -0.694,44 -0.694,45 11.563,46 4.507,47 16.741,48 381.104,49 1.436,50 3.729,51 1.526,52 579.32,53 -0.629,54 1.265,55 3.353,56 176.161,57 1.416,58 39.089,59 2.012,60 2.012,61 192.213,62 10.993,63 103.284,64 1.605,65 1.605,66 1.667,67 9.433,68 15.25,69 3.515,70 38.484,71 10.442,72 4.586,73 1.199,74 16.11,75 16.11,76 16.11,77 16.11,78 16.11,79 16.642,80 1.528,81 -0.499,82 -0.499,83 10927,84 3.904,85 814,86 39.672,87 3.413,88 7.853,89 3.481,90 3.638,91 174.541,92 417.641,93 1.144,94 374,95 -1.718,96 -1.718,97 28.909,98 13.513,99 40.418,100 -1.908,101 -1.908,102 1.189,103 12.765,104 12.765,105 12.765,106 12.765,107 12.765,108 7.427,109 0.92,110 3.707,111 3.415,112 38.341,113 401.562,114 93.175,115 3.629,116 3.674,117 4.804,118 3.228,119 1,121 4.421,122 18794,123 5.333,124 1.129,125 4.828,126 124,127 5.283,128 202.213,129 2.974,130 4.555,131 13.255,132 114.994,133 1,134 9,135 3.655,136 17.458,137 24,138 3.296,139 3.296,140 6.084}
{0 CHEMBL1682007,1 1,3 3.71,4 3.541,5 3.756,6 3.522,7 9.746,8 3.474,9 3.669,10 1.169,11 88.927,12 14.051,13 7.405,14 1.631,15 3.239,16 3.544,17 178.272,18 3.435,19 3.261,20 5.066,21 3.663,22 1.339,23 3.078,24 237.8,25 5,26 1.459,27 1.069,28 4.597,29 31.697,30 76.507,31 76.507,32 0.764,33 1.251,34 16.192,35 16.378,36 0.117,37 3.781,38 0.92,39 3.247,40 5.968,41 5.968,42 3.547,43 0.101,44 0.101,45 13.597,46 4.748,47 19.68,48 436.671,49 1.451,50 3.941,51 1.567,52 666.32,53 0.097,54 1.414,55 3.535,56 203.836,57 1.443,58 47.023,59 2.135,60 2.135,61 216.046,62 12.877,63 126.606,64 1.732,65 1.732,66 1.706,67 11.288,68 17.75,69 3.623,70 46.329,71 12.326,72 5.394,73 1.214,74 19.016,75 19.016,76 19.016,77 19.016,78 19.016,79 19.442,80 1.637,81 1.618,82 1.618,83 17307,84 4.07,85 1238,86 47.425,87 3.586,88 8.285,89 3.641,90 4.094,91 199.533,92 478.621,93 1.254,94 432,95 0.274,96 0.274,97 33.461,98 15.982,99 47.708,100 -0.411,101 -0.411,102 2.342,103 15.325,104 15.325,105 15.325,106 15.325,107 15.325,108 8.85,109 1,110 3.892,111 3.683,112 46.244,113 460.496,114 109.691,115 3.786,116 3.872,117 5.001,118 3.374,119 1,121 5.396,122 30334,123 6.111,124 2.144,125 5.004,126 148,127 5.46,128 233.556,129 3.126,130 4.78,131 15.974,132 142.814,133 1,134 9,135 4.343,136 19.863,137 28,138 3.466,139 3.466,140 5.886}
{0 CHEMBL1682008,1 1,3 3.724,4 3.542,5 3.775,6 3.523,7 12.177,8 3.617,9 3.997,10 1.619,11 101.847,12 16.035,13 9.22,14 1.75,15 3.394,16 3.712,17 228.165,18 3.56,19 3.386,20 5.259,21 3.803,22 2,23 3.078,24 271.233,25 9,26 1.497,27 1.551,28 4.743,29 38.572,30 99.34,31 99.34,32 0.922,33 1.452,34 19.656,35 19.634,36 0.97,37 3.945,38 1,39 3.266,40 6.699,41 6.699,42 3.859,43 0.655,44 0.655,45 15.581,46 4.947,47 23.273,48 444.125,49 1.64,50 4.147,51 1.736,52 670.96,53 0.578,54 1.442,55 3.761,56 223.324,57 1.501,58 51.757,59 2.364,60 2.364,61 298.794,62 14.373,63 152,64 1.732,65 1.732,66 1.737,67 13.181,68 20.5,69 3.857,70 51.388,71 13.822,72 6.686,73 1.456,74 21.792,75 21.792,76 21.792,77 21.792,78 21.792,79 22.398,80 1.759,81 2.136,82 2.136,83 25009,84 4.198,85 1942,86 52.507,87 3.766,88 8.648,89 3.896,90 4.582,91 241.089,92 580.017,93 1.465,94 434,95 1.618,96 1.618,97 41.483,98 18.284,99 52.668,100 1.167,101 1.167,102 2.334,103 17.32,104 17.32,105 17.32,106 17.32,107 17.32,108 11.233,109 1.5,110 4.067,111 3.719,112 51.324,113 462,114 128.201,115 4.046,116 4.098,117 5.03,118 3.501,119 1,121 6.337,122 39323,123 7.083,124 2.144,125 5.106,126 164,127 5.557,128 323.549,129 3.329,130 4.969,131 19.045,132 174.116,133 1,134 9,135 4.945,136 22.692,137 32,138 3.584,139 3.584,140 5.79}
{0 CHEMBL1682009,1 1,3 3.531,4 3.375,5 3.574,6 3.36,7 8.955,8 3.421,9 3.591,10 0.882,11 83.437,12 13.068,13 6.813,14 1.544,15 3.211,16 3.445,17 167.458,18 3.37,19 3.221,20 5.059,21 3.613,22 1.169,23 3.079,24 222.82,25 4,26 1.394,27 0.796,28 4.719,29 28.664,30 71.909,31 71.909,32 0.585,33 1.263,34 14.955,35 15.093,36 -0.248,37 3.772,38 0.731,39 2.915,40 5.829,41 5.829,42 3.479,43 -0.193,44 -0.193,45 12.614,46 4.637,47 18.136,48 438.488,49 1.451,50 3.817,51 1.538,52 669.17,53 -0.188,54 1.356,55 3.603,56 199.389,57 1.417,58 44.188,59 1.978,60 1.978,61 198.213,62 12.097,63 120.211,64 1.618,65 1.618,66 1.691,67 10.39,68 17.25,69 3.641,70 43.589,71 11.546,72 4.995,73 1.233,74 17.654,75 17.654,76 17.654,77 17.654,78 17.654,79 18.131,80 1.56,81 0.161,82 0.161,83 13328,84 4,85 936,86 44.71,87 3.472,88 8.103,89 3.552,90 3.82,91 180.478,92 432.126,93 1.26,94 431,95 -0.472,96 -0.472,97 29.943,98 15.092,99 45.2,100 -1.478,101 -1.478,102 2.144,103 14.336,104 14.336,105 14.336,106 14.336,107 14.336,108 8.044,109 1.082,110 3.795,111 3.472,112 43.48,113 458.928,114 98.104,115 3.677,116 3.755,117 4.951,118 3.304,119 1.1,120 0.1,121 4.936,122 23811,123 5.639,124 1.324,125 4.949,126 140,127 5.407,128 210.968,129 2.943,130 4.678,131 14.778,132 126.933,133 0.75,134 10,135 4.083,136 18.449,137 26,138 3.401,139 3.401,140 6.638}
{0 CHEMBL1682010,1 1,3 3.54,4 3.406,5 3.581,6 3.403,7 9.095,8 3.431,9 3.648,10 0.882,11 82.983,12 13.068,13 6.959,14 1.556,15 3.241,16 3.468,17 170.068,18 3.386,19 3.248,20 5.059,21 3.606,22 1.169,23 3.079,24 222.82,25 4,26 1.424,27 0.798,28 4.749,29 29.17,30 71.522,31 71.522,32 0.585,33 1.267,34 14.955,35 15.223,36 -0.248,37 3.772,38 0.731,39 2.915,40 5.829,41 5.829,42 3.519,43 -0.193,44 -0.193,45 12.614,46 4.637,47 18.265,48 422.023,49 1.452,50 3.858,51 1.568,52 646.71,53 -0.189,54 1.393,55 3.598,56 197.335,57 1.419,58 44.188,59 1.978,60 1.978,61 204.21,62 12.097,63 122.211,64 1.618,65 1.618,66 1.691,67 10.39,68 16.75,69 3.627,70 43.589,71 11.546,72 5.149,73 1.24,74 17.654,75 17.654,76 17.654,77 17.654,78 17.654,79 18.07,80 1.579,81 0.161,82 0.161,83 13034,84 4,85 936,86 44.71,87 3.506,88 8.103,89 3.576,90 3.82,91 183.276,92 438.953,93 1.27,94 417,95 -0.472,96 -0.472,97 30.699,98 14.993,99 45.2,100 -1.478,101 -1.478,102 2.144,103 14.336,104 14.336,105 14.336,106 14.336,107 14.336,108 8.2,109 1.082,110 3.824,111 3.477,112 43.489,113 443.733,114 100.633,115 3.714,116 3.779,117 4.951,118 3.304,119 1.1,120 0.1,121 4.936,122 22775,123 5.639,124 1.324,125 4.949,126 140,127 5.407,128 221.82,129 2.944,130 4.678,131 14.97,132 126.933,133 0.75,134 10,135 4.085,136 18.449,137 26,138 3.401,139 3.401,140 7.092}
{0 CHEMBL1682011,1 1,3 3.538,4 3.402,5 3.579,6 3.399,7 8.668,8 3.431,9 3.532,10 0.882,11 80.711,12 12.674,13 6.537,14 1.555,15 3.24,16 3.419,17 159.658,18 3.386,19 3.247,20 5.004,21 3.574,22 1.156,23 3.011,24 210.824,25 4,26 1.299,27 0.779,28 4.863,29 27.643,30 67.605,31 67.605,32 0.577,33 1.228,34 14.532,35 14.301,36 -0.273,37 3.628,38 0.618,39 2.9,40 5.654,41 5.654,42 3.422,43 -0.211,44 -0.211,45 12.22,46 4.592,47 17.491,48 408.389,49 1.427,50 3.806,51 1.483,52 626.04,53 -0.206,54 1.246,55 3.527,56 189.836,57 1.396,58 42.294,59 1.968,60 1.968,61 194.513,62 11.463,63 116.096,64 1.618,65 1.618,66 1.68,67 10.254,68 16.25,69 3.551,70 41.738,71 10.913,72 4.967,73 1.208,74 17.206,75 17.206,76 17.206,77 17.206,78 17.206,79 17.611,80 1.578,81 0.127,82 0.127,83 12012,84 3.965,85 843,86 42.785,87 3.452,88 7.99,89 3.431,90 3.765,91 173.684,92 415.548,93 1.269,94 404,95 -0.516,96 -0.516,97 28.938,98 14.491,99 42.812,100 -1.478,101 -1.478,102 2.118,103 13.853,104 13.853,105 13.853,106 13.853,107 13.853,108 7.771,109 1.082,110 3.777,111 3.477,112 41.612,113 429.72,114 96.192,115 3.537,116 3.66,117 4.914,118 3.267,119 1.1,120 0.1,121 4.857,122 21534,123 5.472,124 1.323,125 4.905,126 134,127 5.361,128 206.122,129 2.938,130 4.622,131 14.341,132 120.272,133 0.75,134 10,135 3.93,136 17.579,137 25,138 3.367,139 3.367,140 6.903}
{0 CHEMBL1682012,1 2,3 3.571,4 3.419,5 3.609,6 3.406,7 9.562,8 3.486,9 3.704,10 0.948,11 86.107,12 13.479,13 7.39,14 1.632,15 3.251,16 3.499,17 179.455,18 3.44,19 3.263,20 5.152,21 3.65,22 1.174,23 3.048,24 236.964,25 4,26 1.446,27 0.868,28 4.708,29 30.411,30 79.053,31 79.053,32 0.732,33 1.316,34 15.884,35 15.891,36 -0.105,37 3.84,38 0.92,39 3.015,40 6.197,41 6.197,42 3.587,43 -0.089,44 -0.089,45 13.025,46 4.681,47 18.992,48 440.716,49 1.531,50 3.956,51 1.634,52 670.22,53 -0.084,54 1.371,55 3.7,56 208.91,57 1.425,58 46.251,59 2.188,60 2.188,61 216.574,62 12.625,63 126.382,64 1.732,65 1.732,66 1.702,67 10.566,68 17.75,69 3.768,70 45.412,71 12.074,72 5.569,73 1.304,74 18.154,75 18.154,76 18.154,77 18.154,78 18.154,79 18.575,80 1.648,81 0.805,82 0.805,83 14172,84 4.033,85 1038,86 47.084,87 3.531,88 8.219,89 3.624,90 3.845,91 190.2,92 455.847,93 1.305,94 431,95 -0.229,96 -0.229,97 31.915,98 15.471,99 47.286,100 -0.982,101 -0.982,102 2.142,103 14.803,104 14.803,105 14.803,106 14.803,107 14.803,108 8.644,109 1.184,110 3.87,111 3.509,112 45.369,113 458.214,114 102.883,115 3.731,116 3.818,117 4.963,118 3.34,119 1.1,120 0.1,121 5.011,122 24785,123 5.833,124 1.677,125 4.99,126 146,127 5.451,128 236.574,129 3.196,130 4.733,131 15.732,132 133.09,133 0.75,134 8,135 4.336,136 19.319,137 27,138 3.434,139 3.434,140 7.377}
{0 CHEMBL1682013,1 2,3 3.559,4 3.411,5 3.593,6 3.403,7 9.618,8 3.466,9 3.592,10 0.948,11 92.208,12 13.663,13 7.501,14 1.582,15 3.246,16 3.436,17 165.858,18 3.425,19 3.255,20 5.06,21 3.755,22 1.16,23 2.962,24 224.777,25 4,26 1.297,27 0.771,28 4.772,29 28.383,30 76.478,31 76.478,32 0.618,33 1.194,34 15.462,35 15.932,36 -0.136,37 3.996,38 0.852,39 3,40 5.88,41 5.88,42 3.488,43 -0.114,44 -0.114,45 12.631,46 4.637,47 18.113,48 440.815,49 1.313,50 3.885,51 1.48,52 688.96,53 -0.081,54 1.242,55 3.892,56 244.769,57 1.397,58 44.398,59 2.148,60 2.148,61 190.877,62 12.733,63 120.211,64 1.622,65 1.622,66 1.692,67 10.43,68 17.25,69 3.857,70 43.581,71 11.44,72 5.955,73 1.208,74 17.706,75 17.706,76 17.706,77 17.706,78 17.706,79 18.265,80 1.581,81 0.797,82 0.797,83 14013,84 3.999,85 934,86 45.207,87 3.466,88 8.111,89 3.448,90 3.79,91 182.929,92 438.106,93 1.256,94 442,95 -0.295,96 -0.295,97 29.745,98 15.287,99 44.842,100 -0.987,101 -0.987,102 2.118,103 14.32,104 14.32,105 14.32,106 14.32,107 14.32,108 7.952,109 1.184,110 3.816,111 3.74,112 43.76,113 469.618,114 101.024,115 3.529,116 3.671,117 4.927,118 3.305,119 1.1,120 0.1,121 4.932,122 26792,123 5.667,124 1.677,125 4.949,126 140,127 5.407,128 204.877,129 3.091,130 4.679,131 15.022,132 126.349,133 0.75,134 9,135 4.191,136 19.449,137 26,138 3.401,139 3.401,140 7.377}
{0 CHEMBL1682014,1 2,3 3.56,4 3.41,5 3.594,6 3.401,7 9.202,8 3.467,9 3.565,10 0.948,11 87.012,12 13.374,13 7.054,14 1.587,15 3.243,16 3.429,17 165.858,18 3.426,19 3.253,20 5.06,21 3.664,22 1.16,23 2.962,24 224.777,25 4,26 1.297,27 0.778,28 4.772,29 28.185,30 76.478,31 76.478,32 0.618,33 1.196,34 15.462,35 15.102,36 -0.136,37 3.809,38 0.86,39 3,40 5.88,41 5.88,42 3.476,43 -0.114,44 -0.114,45 12.631,46 4.637,47 18.003,48 443.945,49 1.319,50 3.853,51 1.481,52 688.96,53 -0.089,54 1.241,55 3.728,56 216.381,57 1.395,58 44.398,59 2.148,60 2.148,61 190.877,62 12.362,63 122.211,64 1.622,65 1.622,66 1.692,67 10.43,68 17.5,69 3.747,70 43.581,71 11.44,72 5.454,73 1.215,74 17.706,75 17.706,76 17.706,77 17.706,78 17.706,79 18.239,80 1.584,81 0.797,82 0.797,83 14013,84 3.999,85 934,86 45.244,87 3.45,88 8.111,89 3.44,90 3.79,91 179.348,92 429.369,93 1.255,94 442,95 -0.295,96 -0.295,97 29.25,98 15.233,99 44.842,100 -0.987,101 -0.987,102 2.118,103 14.32,104 14.32,105 14.32,106 14.32,107 14.32,108 7.934,109 1.184,110 3.807,111 3.538,112 43.715,113 469.618,114 98.206,115 3.509,116 3.642,117 4.927,118 3.305,119 1.1,120 0.1,121 4.932,122 26792,123 5.667,124 1.677,125 4.949,126 140,127 5.407,128 204.877,129 3.095,130 4.679,131 14.937,132 126.349,133 0.75,134 9,135 4.213,136 18.949,137 26,138 3.401,139 3.401,140 8.046}
{0 CHEMBL1682015,1 2,3 3.57,4 3.417,5 3.606,6 3.404,7 9.109,8 3.484,9 3.576,10 1.118,11 87.418,12 13.623,13 6.824,14 1.62,15 3.25,16 3.451,17 172.64,18 3.44,19 3.265,20 5.203,21 3.644,22 1.676,23 2.983,24 236.682,25 4,26 1.299,27 1.298,28 4.821,29 28.852,30 73.788,31 73.788,32 0.792,33 1.219,34 16.293,35 14.916,36 0.383,37 3.785,38 0.997,39 3,40 6.236,41 6.236,42 3.5,43 0.301,44 0.301,45 13.169,46 4.694,47 18.551,48 460.49,49 1.402,50 3.863,51 1.482,52 697.69,53 0.298,54 1.252,55 3.67,56 207.077,57 1.419,58 46.704,59 2.184,60 2.184,61 197.66,62 12.182,63 128.382,64 1.67,65 1.67,66 1.703,67 10.952,68 18,69 3.755,70 44.794,71 11.631,72 5.192,73 1.254,74 18.577,75 18.577,76 18.577,77 18.577,78 18.577,79 18.996,80 1.619,81 0.865,82 0.865,83 15124,84 4.036,85 1035,86 48.585,87 3.462,88 8.224,89 3.489,90 3.858,91 181.547,92 434.734,93 1.275,94 450,95 0.593,96 0.593,97 29.637,98 15.423,99 46.199,100 -0.609,101 -0.609,102 2.156,103 14.758,104 14.758,105 14.758,106 14.758,107 14.758,108 8.181,109 1.302,110 3.82,111 3.51,112 44.709,113 478.815,114 99.139,115 3.54,116 3.677,117 5.004,118 3.34,119 1.1,120 0.1,121 5.088,122 28429,123 6,124 2.118,125 4.977,126 144,127 5.434,128 211.66,129 3.17,130 4.733,131 15.303,132 132.879,133 0.75,134 8,135 4.363,136 19.156,137 27,138 3.434,139 3.434,140 8.097}
{0 CHEMBL1682016,1 1,3 3.514,4 3.375,5 3.551,6 3.368,7 9.14,8 3.403,9 3.533,10 0.882,11 89.129,12 13.252,13 7.083,14 1.517,15 3.22,16 3.403,17 150.75,18 3.359,19 3.221,20 5.004,21 3.715,22 1.156,23 3.011,24 210.824,25 4,26 1.297,27 0.713,28 4.885,29 27.141,30 68.634,31 68.634,32 0.579,33 1.173,34 14.532,35 15.265,36 -0.273,37 3.925,38 0.618,39 2.9,40 5.654,41 5.654,42 3.407,43 -0.211,44 -0.211,45 12.22,46 4.592,47 17.387,48 419.77,49 1.286,50 3.809,51 1.479,52 661.42,53 -0.161,54 1.237,55 3.795,56 232.861,57 1.344,58 42.294,59 1.968,60 1.968,61 180.75,62 12.205,63 116.096,64 1.618,65 1.618,66 1.68,67 10.254,68 16.25,69 3.717,70 41.738,71 10.913,72 5.584,73 1.179,74 17.206,75 17.206,76 17.206,77 17.206,78 17.206,79 17.762,80 1.526,81 0.127,82 0.127,83 12936,84 3.965,85 843,86 43.005,87 3.439,88 7.99,89 3.383,90 3.765,91 176.005,92 421.213,93 1.251,94 426,95 -0.516,96 -0.516,97 28.529,98 14.801,99 42.812,100 -1.478,101 -1.478,102 2.118,103 13.853,104 13.853,105 13.853,106 13.853,107 13.853,108 7.497,109 1.083,110 3.771,111 3.74,112 41.856,113 453.454,114 99.146,115 3.491,116 3.599,117 4.914,118 3.267,119 1.1,120 0.1,121 4.857,122 24910,123 5.472,124 1.323,125 4.905,126 134,127 5.361,128 190.75,129 2.921,130 4.622,131 14.269,132 120.272,133 0.75,134 10,135 3.934,136 18.579,137 25,138 3.367,139 3.367,140 7.301}
{0 CHEMBL1682017,1 1,3 3.515,4 3.373,5 3.552,6 3.366,7 8.725,8 3.403,9 3.504,10 0.882,11 83.933,12 12.963,13 6.636,14 1.518,15 3.218,16 3.396,17 150.75,18 3.359,19 3.221,20 5.004,21 3.62,22 1.156,23 3.011,24 210.824,25 4,26 1.297,27 0.72,28 4.885,29 26.944,30 68.634,31 68.634,32 0.579,33 1.174,34 14.532,35 14.434,36 -0.273,37 3.724,38 0.618,39 2.9,40 5.654,41 5.654,42 3.394,43 -0.211,44 -0.211,45 12.22,46 4.592,47 17.277,48 422.9,49 1.295,50 3.775,51 1.481,52 661.42,53 -0.176,54 1.236,55 3.613,56 204.473,57 1.343,58 42.294,59 1.968,60 1.968,61 180.75,62 11.834,63 116.096,64 1.618,65 1.618,66 1.68,67 10.254,68 16.5,69 3.606,70 41.738,71 10.913,72 5.083,73 1.184,74 17.206,75 17.206,76 17.206,77 17.206,78 17.206,79 17.737,80 1.527,81 0.127,82 0.127,83 12936,84 3.965,85 843,86 43.044,87 3.423,88 7.99,89 3.372,90 3.765,91 172.424,92 412.475,93 1.251,94 426,95 -0.516,96 -0.516,97 28.034,98 14.747,99 42.812,100 -1.478,101 -1.478,102 2.118,103 13.853,104 13.853,105 13.853,106 13.853,107 13.853,108 7.479,109 1.083,110 3.762,111 3.523,112 41.81,113 453.454,114 96.328,115 3.464,116 3.569,117 4.914,118 3.267,119 1.1,120 0.1,121 4.857,122 24910,123 5.472,124 1.323,125 4.905,126 134,127 5.361,128 190.75,129 2.924,130 4.622,131 14.184,132 120.272,133 0.75,134 10,135 3.956,136 18.079,137 25,138 3.367,139 3.367,140 7.367}
{0 CHEMBL1682018,1 1,3 3.531,4 3.382,5 3.571,6 3.37,7 8.632,8 3.417,9 3.523,10 1.116,11 84.339,12 13.212,13 6.407,14 1.532,15 3.222,16 3.418,17 157.421,18 3.368,19 3.228,20 5.142,21 3.599,22 1.321,23 3.118,24 222.518,25 4,26 1.298,27 0.967,28 4.932,29 27.611,30 65.833,31 65.833,32 0.618,33 1.2,34 15.363,35 14.248,36 -0.012,37 3.697,38 0.791,39 2.967,40 6.016,41 6.016,42 3.426,43 -0.009,44 -0.009,45 12.758,46 4.65,47 17.824,48 439.445,49 1.388,50 3.786,51 1.482,52 670.15,53 -0.009,54 1.244,55 3.542,56 195.169,57 1.357,58 44.589,59 2.006,60 2.006,61 187.421,62 11.654,63 122.211,64 1.618,65 1.618,66 1.692,67 10.776,68 17,69 3.623,70 42.886,71 11.104,72 4.821,73 1.212,74 18.077,75 18.077,76 18.077,77 18.077,78 18.077,79 18.493,80 1.544,81 0.715,82 0.715,83 13992,84 4.003,85 934,86 46.338,87 3.436,88 8.108,89 3.424,90 3.833,91 174.623,92 417.841,93 1.267,94 434,95 -0.023,96 -0.023,97 28.421,98 14.937,99 44.235,100 -0.766,101 -0.766,102 2.158,103 14.291,104 14.291,105 14.291,106 14.291,107 14.291,108 7.726,109 1.284,110 3.776,111 3.476,112 42.758,113 462.651,114 97.261,115 3.494,116 3.606,117 4.992,118 3.304,119 1.1,120 0.1,121 5.013,122 26471,123 5.806,124 2.118,125 4.934,126 138,127 5.389,128 197.421,129 2.975,130 4.678,131 14.55,132 126.725,133 0.75,134 9,135 4.103,136 18.286,137 26,138 3.401,139 3.401,140 7.585}
{0 CHEMBL1682019,1 1,3 3.523,4 3.398,5 3.559,6 3.398,7 9.15,8 3.413,9 3.516,10 0.882,11 89.083,12 13.252,13 7.057,14 1.528,15 3.237,16 3.403,17 151.14,18 3.375,19 3.241,20 5.004,21 3.715,22 1.156,23 3.011,24 210.824,25 4,26 1.297,27 0.713,28 4.842,29 27.141,30 68.634,31 68.634,32 0.579,33 1.151,34 14.532,35 15.265,36 -0.273,37 3.931,38 0.618,39 2.9,40 5.654,41 5.654,42 3.402,43 -0.211,44 -0.211,45 12.22,46 4.592,47 17.387,48 422.122,49 1.283,50 3.808,51 1.479,52 664.8,53 -0.161,54 1.235,55 3.807,56 233.194,57 1.375,58 42.294,59 1.968,60 1.968,61 179.14,62 12.205,63 116.096,64 1.618,65 1.618,66 1.68,67 10.254,68 16.25,69 3.709,70 41.738,71 10.913,72 5.549,73 1.166,74 17.206,75 17.206,76 17.206,77 17.206,78 17.206,79 17.76,80 1.539,81 0.127,82 0.127,83 12900,84 3.965,85 843,86 43.005,87 3.439,88 7.99,89 3.387,90 3.765,91 176.005,92 421.213,93 1.246,94 428,95 -0.516,96 -0.516,97 28.529,98 14.809,99 42.812,100 -1.478,101 -1.478,102 2.118,103 13.853,104 13.853,105 13.853,106 13.853,107 13.853,108 7.508,109 1.083,110 3.767,111 3.74,112 41.863,113 454.851,114 98.774,115 3.5,116 3.612,117 4.914,118 3.267,119 1.1,120 0.1,121 4.857,122 24750,123 5.472,124 1.323,125 4.905,126 134,127 5.361,128 190.75,129 2.912,130 4.622,131 14.26,132 120.272,133 0.75,134 10,135 3.938,136 18.579,137 25,138 3.367,139 3.367,140 7.046}
{0 CHEMBL1682020,1 1,3 3.524,4 3.397,5 3.56,6 3.397,7 8.735,8 3.414,9 3.486,10 0.882,11 83.887,12 12.963,13 6.61,14 1.531,15 3.234,16 3.396,17 151.14,18 3.376,19 3.24,20 5.004,21 3.62,22 1.156,23 3.011,24 210.824,25 4,26 1.297,27 0.72,28 4.842,29 26.944,30 68.634,31 68.634,32 0.579,33 1.152,34 14.532,35 14.434,36 -0.273,37 3.73,38 0.618,39 2.9,40 5.654,41 5.654,42 3.388,43 -0.211,44 -0.211,45 12.22,46 4.592,47 17.277,48 425.252,49 1.292,50 3.774,51 1.48,52 664.8,53 -0.176,54 1.235,55 3.628,56 204.806,57 1.373,58 42.294,59 1.968,60 1.968,61 179.14,62 11.834,63 116.096,64 1.618,65 1.618,66 1.68,67 10.254,68 16.5,69 3.597,70 41.738,71 10.913,72 5.048,73 1.171,74 17.206,75 17.206,76 17.206,77 17.206,78 17.206,79 17.734,80 1.541,81 0.127,82 0.127,83 12900,84 3.965,85 843,86 43.044,87 3.423,88 7.99,89 3.377,90 3.765,91 172.424,92 412.475,93 1.246,94 428,95 -0.516,96 -0.516,97 28.034,98 14.755,99 42.812,100 -1.478,101 -1.478,102 2.118,103 13.853,104 13.853,105 13.853,106 13.853,107 13.853,108 7.49,109 1.083,110 3.758,111 3.524,112 41.817,113 454.851,114 95.956,115 3.473,116 3.582,117 4.914,118 3.267,119 1.1,120 0.1,121 4.857,122 24750,123 5.472,124 1.323,125 4.905,126 134,127 5.361,128 190.75,129 2.915,130 4.622,131 14.175,132 120.272,133 0.75,134 10,135 3.96,136 18.079,137 25,138 3.367,139 3.367,140 7.377}
{0 CHEMBL1682021,1 1,3 3.538,4 3.404,5 3.577,6 3.4,7 8.642,8 3.429,9 3.505,10 1.116,11 84.293,12 13.212,13 6.38,14 1.547,15 3.24,16 3.418,17 157.812,18 3.386,19 3.25,20 5.142,21 3.599,22 1.321,23 3.118,24 222.518,25 4,26 1.298,27 0.967,28 4.89,29 27.611,30 65.833,31 65.833,32 0.618,33 1.185,34 15.363,35 14.248,36 -0.012,37 3.704,38 0.791,39 2.967,40 6.016,41 6.016,42 3.421,43 -0.009,44 -0.009,45 12.758,46 4.65,47 17.824,48 441.798,49 1.388,50 3.784,51 1.482,52 673.53,53 -0.009,54 1.244,55 3.558,56 195.502,57 1.393,58 44.589,59 2.006,60 2.006,61 185.812,62 11.654,63 122.211,64 1.618,65 1.618,66 1.692,67 10.776,68 17,69 3.614,70 42.886,71 11.104,72 4.785,73 1.2,74 18.077,75 18.077,76 18.077,77 18.077,78 18.077,79 18.491,80 1.565,81 0.715,82 0.715,83 13954,84 4.003,85 934,86 46.338,87 3.436,88 8.108,89 3.429,90 3.833,91 174.623,92 417.841,93 1.264,94 436,95 -0.023,96 -0.023,97 28.421,98 14.945,99 44.235,100 -0.766,101 -0.766,102 2.158,103 14.291,104 14.291,105 14.291,106 14.291,107 14.291,108 7.737,109 1.284,110 3.771,111 3.479,112 42.765,113 464.048,114 96.889,115 3.503,116 3.619,117 4.992,118 3.304,119 1.1,120 0.1,121 5.013,122 26307,123 5.806,124 2.118,125 4.934,126 138,127 5.389,128 197.421,129 2.966,130 4.678,131 14.541,132 126.725,133 0.75,134 9,135 4.107,136 18.286,137 26,138 3.401,139 3.401,140 7.387}
{0 CHEMBL1682341,1 1,3 3.307,4 3.155,5 3.373,6 3.143,7 6.77,8 3.119,9 3.045,10 0.5,11 64.73,12 10.382,13 4.958,14 1.498,15 2.898,16 3.253,17 113.754,18 3.046,19 2.894,20 4.407,21 3.333,22 0.578,23 2.751,24 163.624,25 3,26 1.199,27 0.09,28 4.124,29 23.214,30 49.258,31 49.258,32 -0.555,33 1.092,34 12.321,35 11.269,36 -1.241,37 3.235,38 0.131,39 2.466,40 4.277,41 4.277,42 2.938,43 -0.897,44 -0.897,45 10.382,46 4.366,47 14.832,48 345.263,49 1.075,50 3.356,51 1.326,52 502.88,53 -0.883,54 1.13,55 2.778,56 144.63,57 1.23,58 36.24,59 1.534,60 1.534,61 140.219,62 9.203,63 88.239,64 1.291,65 1.291,66 1.626,67 8.859,68 13.25,69 3.016,70 35.832,71 9.203,72 3.457,73 1.062,74 14.74,75 14.74,76 14.74,77 14.74,78 14.74,79 14.909,80 1.441,81 -1.743,82 -1.743,83 7597,84 3.808,85 537,86 35.752,87 3.262,88 7.449,89 3.039,90 3.562,91 142.299,92 338.97,93 0.886,94 329,95 -2.251,96 -2.251,97 24.074,98 12.184,99 35.705,100 -2.347,101 -2.347,102 1.18,103 11.909,104 11.909,105 11.909,106 11.909,107 11.909,108 6.689,109 0.714,110 3.615,111 3.226,112 35.822,113 349.874,114 83.612,115 3.108,116 3.224,117 4.764,118 3.103,119 1.1,120 0.1,121 4.271,122 12956,123 4.556,124 0.79,125 4.745,126 114,127 5.198,128 160.219,129 2.518,130 4.365,131 12.247,132 95.579,133 0.75,134 9,135 3.262,136 14.071,137 21,138 3.219,139 3.219,140 5.4}
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{0 CHEMBL1946328,1 3,2 1,3 3.781,4 3.651,5 3.838,6 3.655,7 10.493,8 3.45,9 4.058,10 1.618,11 99.146,12 14.797,13 7.721,14 1.751,15 3.12,16 3.644,17 201.338,18 3.38,19 3.164,20 5.302,21 3.758,22 1.723,23 3.232,24 307.234,25 6,26 1.577,27 1.519,28 4.562,29 35.351,30 91.105,31 91.105,32 1.055,33 1.456,34 19.355,35 17.478,36 0.618,37 4.147,38 1.132,39 3.21,40 6.785,41 6.785,42 4.019,43 0.618,44 0.618,45 15.619,46 4.943,47 22.413,48 551.691,49 1.527,50 4.073,51 1.743,52 802.96,53 0.555,54 1.507,55 4.072,56 232.573,57 1.546,58 53.826,59 2.33,60 2.33,61 246.358,62 12.991,63 144,64 1.879,65 1.879,66 1.748,67 12.899,68 22.25,69 4.18,70 53.905,71 14.036,72 5.668,73 1.465,74 22.041,75 22.041,76 22.041,77 22.041,78 22.041,79 22.7,80 1.787,81 1.417,82 1.417,83 22792,84 4.211,85 1864,86 54.858,87 3.631,88 8.711,89 4.088,90 4.303,91 212.312,92 509.801,93 1.23,94 512,95 1.372,96 1.372,97 36.216,98 18.836,99 55.467,100 1.111,101 1.111,102 2.29,103 17.731,104 17.731,105 17.731,106 17.731,107 17.731,108 10.297,109 1.426,110 4.018,111 3.658,112 54.012,113 543.391,114 116.182,115 4.115,116 4.121,117 5.115,118 3.503,119 1.077,120 0.077,121 6.078,122 40910,123 7,124 1.876,125 5.165,126 174,127 5.624,128 270.009,129 3.265,130 4.966,131 18.7,132 166.858,133 0.8,134 8,135 5.24,136 20.338,137 32,138 3.611,139 3.611,140 7.337}
{0 CHEMBL1946329,1 3,2 1,3 3.464,4 3.225,5 3.558,6 3.192,7 8.203,8 3.26,9 3.716,10 0.698,11 74.153,12 11.348,13 6.001,14 1.593,15 2.937,16 3.38,17 155.945,18 3.167,19 2.943,20 5.124,21 3.477,22 0.905,23 2.872,24 207.18,25 4,26 1.311,27 0.52,28 4.432,29 27.199,30 67.622,31 67.622,32 0.422,33 1.084,34 14.753,35 13.459,36 -0.459,37 3.804,38 0.508,39 2.773,40 5.932,41 5.932,42 3.585,43 -0.381,44 -0.381,45 11.758,46 4.532,47 17.08,48 393.967,49 1.454,50 3.823,51 1.613,52 579.37,53 -0.337,54 1.215,55 3.446,56 173.494,57 1.507,58 40.193,59 1.941,60 1.941,61 190.574,62 9.869,63 106.039,64 1.414,65 1.414,66 1.677,67 9.842,68 17,69 3.731,70 40.4,71 10.386,72 4.467,73 1.069,74 16.662,75 16.662,76 16.662,77 16.662,78 16.662,79 17.119,80 1.604,81 0.356,82 0.356,83 9226,84 3.928,85 812,86 40.841,87 3.381,88 7.907,89 3.776,90 3.587,91 165.739,92 396.163,93 1.2,94 369,95 -0.894,96 -0.894,97 28.302,98 14.098,99 41.48,100 -1.593,101 -1.593,102 1.553,103 13.297,104 13.297,105 13.297,106 13.297,107 13.297,108 8.066,109 0.84,110 3.756,111 3.37,112 40.473,113 390.15,114 91.21,115 3.861,116 3.893,117 4.82,118 3.23,119 1.1,120 0.1,121 4.618,122 15266,123 5.306,124 1.419,125 4.875,126 130,127 5.333,128 206.574,129 2.877,130 4.555,131 14.3,132 111.384,133 0.75,134 6,135 3.845,136 15.648,137 24,138 3.332,139 3.332,140 6.444}
{0 CHEMBL1946330,1 3,2 1,3 3.559,4 3.344,5 3.647,6 3.341,7 8.764,8 3.352,9 3.828,10 0.787,11 77.049,12 11.848,13 6.281,14 1.71,15 3.04,16 3.431,17 166.416,18 3.269,19 3.064,20 5.137,21 3.513,22 1.038,23 2.872,24 217.45,25 5,26 1.49,27 0.714,28 4.551,29 28.726,30 71.277,31 71.277,32 0.502,33 1.159,34 15.46,35 14.166,36 -0.243,37 3.859,38 0.513,39 2.935,40 5.975,41 5.975,42 3.7,43 -0.21,44 -0.21,45 12.258,46 4.592,47 17.896,48 400.249,49 1.465,50 3.879,51 1.718,52 588.11,53 -0.192,54 1.408,55 3.56,56 177.661,57 1.507,58 41.628,59 1.953,60 1.953,61 209.329,62 10.249,63 112.096,64 1.414,65 1.414,66 1.688,67 10.448,68 17.5,69 3.811,70 41.714,71 10.767,72 4.578,73 1.151,74 17.37,75 17.37,76 17.37,77 17.37,78 17.37,79 17.844,80 1.726,81 0.478,82 0.478,83 10174,84 3.967,85 936,86 42.09,87 3.439,88 8.021,89 3.856,90 3.684,91 175.331,92 419.568,93 1.214,94 375,95 -0.418,96 -0.418,97 30.063,98 14.663,99 42.942,100 -1.102,101 -1.102,102 1.618,103 13.835,104 13.835,105 13.835,106 13.835,107 13.835,108 8.632,109 1.142,110 3.801,111 3.426,112 41.811,113 395.429,114 95.958,115 3.941,116 3.963,117 4.844,118 3.268,119 1.1,120 0.1,121 4.914,122 16419,123 5.556,124 1.444,125 4.905,126 134,127 5.361,128 225.329,129 2.889,130 4.611,131 14.947,132 118.154,133 0.75,134 8,135 3.992,136 16.355,137 25,138 3.367,139 3.367,140 6.854}
{0 CHEMBL1946331,1 3,2 1,3 3.645,4 3.463,5 3.722,6 3.468,7 9.147,8 3.377,9 3.928,10 0.812,11 79.138,12 12.204,13 7.05,14 1.751,15 3.059,16 3.479,17 172.756,18 3.296,19 3.092,20 5.172,21 3.547,22 1.12,23 2.969,24 229.152,25 5,26 1.57,27 0.799,28 4.441,29 30.253,30 74.858,31 74.858,32 0.507,33 1.308,34 15.745,35 15.037,36 -0.138,37 3.912,38 0.55,39 2.976,40 6.068,41 6.068,42 3.803,43 -0.118,44 -0.118,45 12.614,46 4.637,47 18.653,48 408.531,49 1.467,50 3.933,51 1.731,52 600.43,53 -0.108,54 1.507,55 3.662,56 183.827,57 1.507,58 43.661,59 2.047,60 2.047,61 217.611,62 11.09,63 116.211,64 1.646,65 1.646,66 1.698,67 10.493,68 18,69 3.885,70 43.559,71 11.608,72 4.661,73 1.239,74 17.654,75 17.654,76 17.654,77 17.654,78 17.654,79 18.103,80 1.762,81 0.518,82 0.518,83 11130,84 4.001,85 1052,86 43.905,87 3.494,88 8.132,89 3.93,90 3.744,91 184.924,92 442.973,93 1.215,94 383,95 -0.312,96 -0.312,97 31.824,98 15.193,99 44.55,100 -1.189,101 -1.189,102 1.618,103 14.37,104 14.37,105 14.37,106 14.37,107 14.37,108 9.017,109 1.144,110 3.855,111 3.502,112 43.649,113 405.009,114 100.376,115 4.014,116 4.028,117 4.883,118 3.305,119 1.1,120 0.1,121 5.033,122 17576,123 5.639,124 1.45,125 4.949,126 140,127 5.407,128 235.611,129 2.988,130 4.668,131 15.626,132 124.832,133 0.75,134 10,135 4.153,136 17.225,137 26,138 3.401,139 3.401,140 7.18}
{0 CHEMBL1946332,1 3,2 1,3 3.779,4 3.648,5 3.839,6 3.654,7 10.808,8 3.463,9 4.105,10 1.451,11 89.109,12 13.865,13 8.23,14 1.751,15 3.138,16 3.624,17 181.879,18 3.382,19 3.171,20 5.212,21 3.665,22 1.618,23 3.012,24 269.523,25 5,26 1.577,27 1.45,28 3.903,29 34.307,30 83.213,31 83.213,32 0.618,33 1.431,34 18.314,35 16.572,36 0.618,37 4.043,38 1,39 3.201,40 6.316,41 6.316,42 3.991,43 0.525,44 0.525,45 14.276,46 4.82,47 21.321,48 430.531,49 1.489,50 4.061,51 1.751,52 634.53,53 0.485,54 1.507,55 3.873,56 206.16,57 1.547,58 49.225,59 2.185,60 2.185,61 218.544,62 12.2,63 132.881,64 1.648,65 1.648,66 1.725,67 12.155,68 20,69 4.023,70 49.248,71 12.718,72 6.181,73 1.417,74 20.223,75 20.223,76 20.223,77 20.223,78 20.223,79 20.655,80 1.792,81 1.372,82 1.372,83 15011,84 4.123,85 1424,86 49.679,87 3.649,88 8.437,89 4.074,90 4.125,91 206.307,92 495.15,93 1.239,94 405,95 1.357,96 1.357,97 36.347,98 17.179,99 49.78,100 0.545,101 0.545,102 2,103 16.37,104 16.37,105 16.37,106 16.37,107 16.37,108 10.679,109 1.412,110 4.022,111 3.65,112 49.369,113 426.402,114 112.224,115 4.156,116 4.14,117 4.984,118 3.409,119 1.077,120 0.077,121 5.855,122 23318,123 6.306,124 1.836,125 5.069,126 158,127 5.525,128 253.993,129 3.125,130 4.825,131 18.482,132 145.617,133 0.8,134 10,135 4.736,136 18.761,137 29,138 3.526,139 3.526,140 7.337}
{0 CHEMBL1946333,1 3,2 1,3 3.781,4 3.649,5 3.839,6 3.653,7 10.883,8 3.466,9 4.115,10 1.457,11 92.05,12 14.259,13 8.401,14 1.751,15 3.138,16 3.641,17 199.4,18 3.391,19 3.176,20 5.228,21 3.699,22 1.618,23 3.018,24 281.474,25 5,26 1.577,27 1.464,28 4.289,29 35.021,30 90.475,31 90.475,32 0.625,33 1.43,34 18.761,35 16.89,36 0.618,37 4.068,38 1,39 3.207,40 6.465,41 6.465,42 4.015,43 0.541,44 0.541,45 14.67,46 4.859,47 21.779,48 451.803,49 1.496,50 4.078,51 1.749,52 663.68,53 0.498,54 1.507,55 3.927,56 214.821,57 1.547,58 51.001,59 2.29,60 2.29,61 244.475,62 12.822,63 139.207,64 1.828,65 1.828,66 1.733,67 12.241,68 20.75,69 4.075,70 51.039,71 13.34,72 6.273,73 1.431,74 20.67,75 20.67,76 20.67,77 20.67,78 20.67,79 21.143,80 1.791,81 1.387,82 1.387,83 17445,84 4.152,85 1560,86 51.476,87 3.655,88 8.529,89 4.091,90 4.187,91 210.303,92 504.9,93 1.235,94 424,95 1.372,96 1.372,97 36.802,98 17.727,99 51.902,100 0.631,101 0.631,102 2,103 16.836,104 16.836,105 16.836,106 16.836,107 16.836,108 10.736,109 1.425,110 4.045,111 3.654,112 51.152,113 446.609,114 113.892,115 4.166,116 4.148,117 5.017,118 3.441,119 1.077,120 0.077,121 5.89,122 28667,123 6.472,124 1.844,125 5.106,126 164,127 5.565,128 282.475,129 3.229,130 4.873,131 18.916,132 152.844,133 0.8,134 10,135 4.948,136 19.631,137 30,138 3.555,139 3.555,140 8}
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{0 CHEMBL1946340,1 3,2 1,3 3.8,4 3.664,5 3.85,6 3.664,7 10.962,8 3.467,9 4.186,10 1.748,11 101.756,12 15.691,13 8.129,14 1.644,15 3.146,16 3.69,17 220.373,18 3.4,19 3.187,20 5.309,21 3.782,22 2,23 3.287,24 318.255,25 6,26 1.383,27 1.585,28 4.694,29 37.209,30 96.118,31 96.118,32 1,33 1.429,34 20.063,35 18.202,36 0.896,37 4.193,38 1.129,39 3.414,40 6.802,41 6.802,42 4.119,43 0.677,44 0.677,45 16.102,46 4.989,47 23.266,48 532.63,49 1.525,50 4.155,51 1.57,52 780.66,53 0.613,54 1.319,55 4.111,56 233.479,57 1.681,58 55.503,59 2.391,60 2.391,61 272.253,62 13.967,63 158.465,64 1.992,65 1.992,66 1.758,67 13.326,68 22.75,69 4.228,70 55.158,71 14.484,72 5.931,73 1.376,74 22.695,75 22.695,76 22.695,77 22.695,78 22.695,79 23.347,80 1.61,81 2.275,82 2.275,83 24056,84 4.243,85 2138,86 56.074,87 3.685,88 8.808,89 4.176,90 4.394,91 224.702,92 540.033,93 1.212,94 500,95 1.735,96 1.735,97 38.495,98 19.311,99 57.124,100 1.062,101 1.062,102 2.5,103 18.23,104 18.23,105 18.23,106 18.23,107 18.23,108 10.774,109 1.523,110 4.064,111 3.684,112 55.211,113 530.245,114 122.236,115 4.22,116 4.2,117 5.133,118 3.532,119 1.074,120 0.074,121 6.316,122 42146,123 7.222,124 2.054,125 5.187,126 178,127 5.645,128 302.253,129 3.318,130 5.009,131 19.427,132 173.827,133 0.8,134 10,135 5.316,136 21.916,137 33,138 3.638,139 3.638,140 7.854}
{0 CHEMBL1946341,1 3,2 1,3 3.74,4 3.577,5 3.788,6 3.571,7 10.464,8 3.446,9 4.092,10 1.741,11 99.816,12 15.297,13 7.51,14 1.601,15 3.111,16 3.645,17 207.671,18 3.379,19 3.157,20 5.299,21 3.762,22 1.983,23 3.198,24 304.929,25 6,26 1.319,27 1.542,28 4.699,29 35.682,30 92.381,31 92.381,32 1.129,33 1.429,34 19.615,35 17.585,36 0.827,37 4.171,38 1.2,39 3.36,40 6.778,41 6.778,42 4.032,43 0.648,44 0.648,45 15.708,46 4.954,47 22.527,48 530.994,49 1.524,50 4.109,51 1.57,52 777.83,53 0.576,54 1.253,55 4.055,56 227.476,57 1.65,58 53.683,59 2.322,60 2.322,61 258.465,62 13.345,63 152,64 1.852,65 1.852,66 1.749,67 13.24,68 22.5,69 4.144,70 53.515,71 13.862,72 5.455,73 1.376,74 22.248,75 22.248,76 22.248,77 22.248,78 22.248,79 23.012,80 1.562,81 2.136,82 2.136,83 22481,84 4.215,85 1914,86 54.652,87 3.631,88 8.715,89 4.102,90 4.342,91 215.11,92 516.628,93 1.21,94 497,95 1.591,96 1.591,97 36.733,98 18.976,99 55.015,100 1.029,101 1.029,102 2.436,103 17.764,104 17.764,105 17.764,106 17.764,107 17.764,108 10.255,109 1.478,110 4.006,111 3.626,112 53.556,113 527.654,114 118.029,115 4.144,116 4.145,117 5.103,118 3.503,119 1.074,120 0.074,121 6.279,122 39885,123 7.056,124 2,125 5.153,126 172,127 5.609,128 280.465,129 3.254,130 4.965,131 18.532,132 166.929,133 0.8,134 10,135 5.084,136 21.045,137 32,138 3.611,139 3.611,140 7.284}
{0 CHEMBL1946495,1 3,2 1,3 3.835,4 3.708,5 3.88,6 3.703,7 11.485,8 3.513,9 4.264,10 2,11 107.509,12 16.602,13 8.574,14 1.695,15 3.215,16 3.738,17 236.385,18 3.453,19 3.249,20 5.571,21 3.832,22 2.021,23 3.361,24 343.76,25 7,26 1.438,27 2,28 4.791,29 39.231,30 101.816,31 101.816,32 1.129,33 1.466,34 21.087,35 19.24,36 1,37 4.231,38 1.424,39 3.47,40 7.503,41 7.503,42 4.212,43 1,44 1,45 17.012,46 5.067,47 24.511,48 567.839,49 1.527,50 4.231,51 1.578,52 830.21,53 1,54 1.382,55 4.265,56 246.312,57 1.692,58 58.834,59 2.479,60 2.479,61 292.265,62 14.865,63 171.525,64 2.042,65 2.042,66 1.773,67 13.961,68 24,69 4.279,70 58.425,71 15.383,72 6.363,73 1.493,74 23.903,75 23.903,76 23.903,77 23.903,78 23.903,79 24.493,80 1.661,81 2.275,82 2.275,83 28630,84 4.297,85 2622,86 59.816,87 3.732,88 8.982,89 4.234,90 4.522,91 238.161,92 572.874,93 1.216,94 533,95 2.275,96 2.275,97 40.5,98 20.164,99 60.564,100 1.649,101 1.649,102 2.5,103 19.198,104 19.198,105 19.198,106 19.198,107 19.198,108 11.291,109 1.682,110 4.114,111 3.739,112 58.453,113 566.179,114 128.629,115 4.274,116 4.255,117 5.196,118 3.589,119 1.074,120 0.074,121 6.575,122 50917,123 7.667,124 2.493,125 5.242,126 188,127 5.7,128 322.265,129 3.424,130 5.092,131 20.424,132 188.024,133 0.8,134 13,135 5.641,136 23.493,137 35,138 3.689,139 3.689,140 7.658}
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{0 CHEMBL1965660,1 1,2 1,3 3.285,4 3.01,5 3.354,6 2.952,7 7.282,8 3.133,9 3.228,10 0.51,11 74.491,12 11.53,13 5.604,14 1.296,15 2.853,16 3.279,17 122.245,18 3.025,19 2.838,20 5.033,21 3.483,22 0.692,23 2.841,24 187.828,25 3,26 0.962,27 0.235,28 4.452,29 24.584,30 62.707,31 62.707,32 0.098,33 1.06,34 12.868,35 13.189,36 -0.943,37 3.894,38 0.256,39 2.359,40 6.008,41 6.008,42 3.157,43 -0.714,44 -0.714,45 10.952,46 4.428,47 15.366,48 391.587,49 1.232,50 3.718,51 1.246,52 610.37,53 -0.672,54 0.895,55 3.593,56 174.818,57 1.251,58 38.725,59 2.139,60 2.139,61 151.364,62 11.173,63 104.042,64 1.406,65 1.406,66 1.663,67 8.725,68 15.25,69 3.713,70 37.958,71 10.394,72 3.782,73 1.017,74 15.085,75 15.085,76 15.085,77 15.085,78 15.085,79 15.524,80 1.294,81 -1.242,82 -1.242,83 10013,84 3.863,85 704,86 39.239,87 3.274,88 7.772,89 3.404,90 3.381,91 160.762,92 384.02,93 0.922,94 393,95 -2,96 -2,97 25.244,98 13.147,99 40.006,100 -2.022,101 -2.022,102 0.944,103 12.327,104 12.327,105 12.327,106 12.327,107 12.327,108 6.505,109 0.982,110 3.643,111 3.564,112 38.311,113 417.979,114 89.973,115 3.469,116 3.59,117 4.806,118 3.189,119 1,121 4.144,122 19922,123 4.972,124 0.796,125 4.812,126 122,127 5.273,128 168.974,129 3.044,130 4.494,131 12.395,132 105.583,133 1,134 2,135 3.624,136 17.56,137 23,138 3.258,139 3.258,140 6.3}
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{0 CHEMBL1967252,3 3.033,4 2.878,5 3.121,6 2.882,7 5.196,8 2.904,9 2.157,10 -0.356,11 48.468,12 7.843,13 3.822,14 1.029,15 2.627,16 3.018,17 88.366,18 2.814,19 2.598,20 4.032,21 3.043,22 -0.277,23 2.5,24 112.393,25 1,26 0.813,27 -0.719,28 4.001,29 18.171,30 37.468,31 37.468,32 -1.103,33 0.972,34 9.199,35 8.936,36 -2.288,37 2.757,38 -1,39 1.555,40 3.284,41 3.284,42 1.972,43 -1.706,44 -1.706,45 7.843,46 3.954,47 11.317,48 244.564,49 0.978,50 3.17,51 1.114,52 363.89,53 -1.685,54 0.731,55 1.718,56 107.412,57 0.981,58 27.436,59 1.294,60 1.294,61 108.017,62 6.95,63 64,64 1,65 1,66 1.551,67 6.582,68 10,69 2.478,70 27.185,71 6.95,72 2.739,73 0.958,74 11.069,75 11.069,76 11.069,77 11.069,78 11.069,79 11.213,80 1.064,81 -3.064,82 -3.064,83 3201,84 3.533,85 230,86 27.167,87 3.041,88 6.693,89 2.533,90 2.915,91 113.182,92 267.924,93 0.768,94 237,95 -4.789,96 -4.789,97 19.063,98 9.098,99 27.651,100 -4.818,101 -4.818,102 0.5,103 8.893,104 8.893,105 8.893,106 8.893,107 8.893,108 5.148,109 -0.643,110 3.37,111 2.896,112 27.177,113 251.835,114 63.644,115 2.652,116 2.964,117 4.489,118 2.855,119 1.133,120 0.133,121 3.131,122 5129,123 3.5,124 0.188,125 4.466,126 86,127 4.92,128 121.627,129 2.267,130 3.976,131 9.253,132 63.375,133 0.667,134 3,135 2.452,136 10.958,137 16,138 2.944,139 2.944,140 4.7}
{0 CHEMBL1967302,3 3.623,4 3.476,5 3.685,6 3.48,7 9.971,8 3.445,9 3.743,10 1.643,11 91.055,12 14.653,13 7.641,14 1.67,15 3.243,16 3.637,17 200.718,18 3.402,19 3.257,20 5.248,21 3.665,22 1.688,23 3.132,24 268.074,25 6,26 1.414,27 1.407,28 5.008,29 34.256,30 78.276,31 78.276,32 0.988,33 1.274,34 17.922,35 16.391,36 0.587,37 3.771,38 1.141,39 3.212,40 6.548,41 6.548,42 3.662,43 0.499,44 0.499,45 14.653,46 4.859,47 21.32,48 443.063,49 1.616,50 4.001,51 1.594,52 660.3,53 0.449,54 1.375,55 3.621,56 205.921,57 1.612,58 51.719,59 2.257,60 2.257,61 260.423,62 13.427,63 147.207,64 1.83,65 1.83,66 1.723,67 12.155,68 19.5,69 3.693,70 51.432,71 13.427,72 5.398,73 1.263,74 20.618,75 20.618,76 20.618,77 20.618,78 20.618,79 20.896,80 1.64,81 1.609,82 1.609,83 20778,84 4.153,85 1504,86 52.898,87 3.652,88 8.482,89 3.748,90 4.35,91 206.988,92 496.811,93 1.371,94 427,95 1.158,96 1.158,97 35.784,98 17.289,99 52.195,100 1.072,101 1.072,102 2.588,103 16.84,104 16.84,105 16.84,106 16.84,107 16.84,108 9.861,109 1.546,110 4.029,111 3.501,112 51.318,113 452.557,114 115.32,115 3.84,116 3.925,117 5.085,118 3.44,119 1.167,120 0.167,121 5.831,122 36017,123 6.444,124 2.086,125 5.106,126 164,127 5.565,128 286.423,129 3.227,130 4.883,131 18.046,132 157.086,133 0.6,134 6,135 4.813,136 20.501,137 30,138 3.555,139 3.555,140 5.4}
{0 CHEMBL1967336,3 3.35,4 3.127,5 3.399,6 3.075,7 6.211,8 3.077,9 2.957,10 0.5,11 68.32,12 9.826,13 4.312,14 1.162,15 2.841,16 3.171,17 108.419,18 3.026,19 2.864,20 4.842,21 3.365,22 0.551,23 2.856,24 170.068,25 2,26 0.941,27 0.072,28 4.349,29 22.169,30 58.138,31 58.138,32 0.079,33 0.855,34 12.53,35 11.047,36 -1.111,37 3.366,38 0.242,39 2.344,40 5.424,41 5.424,42 2.971,43 -0.846,44 -0.846,45 10.631,46 4.392,47 14.454,48 415.852,49 1.013,50 3.246,51 1.126,52 590.8,53 -0.75,54 0.893,55 3.098,56 149.236,57 1.164,58 35.801,59 2,60 2,61 134.825,62 8.48,63 98.107,64 1.394,65 1.394,66 1.645,67 8.872,68 15.25,69 3.326,70 35.411,71 9.653,72 2.816,73 0.875,74 14.792,75 14.792,76 14.792,77 14.792,78 14.792,79 15.195,80 1.144,81 -1.169,82 -1.169,83 9656,84 3.828,85 636,86 36.831,87 3.113,88 7.616,89 3.038,90 3.434,91 136.901,92 325.797,93 0.788,94 382,95 -2.12,96 -2.12,97 21.642,98 12.555,99 36.29,100 -2.273,101 -2.273,102 1.02,103 11.882,104 11.882,105 11.882,106 11.882,107 11.882,108 6.063,109 0.735,110 3.493,111 3.296,112 35.443,113 406.877,114 72.845,115 2.999,116 3.084,117 4.747,118 3.147,119 1.125,120 0.125,121 4.254,122 19495,123 4.833,124 0.946,125 4.745,126 114,127 5.198,128 151.58,129 2.97,130 4.434,131 11.414,132 100.9,133 0.667,134 2,135 3.581,136 13.786,137 22,138 3.219,139 3.219,140 5.4}
{0 CHEMBL1967513,3 3.395,4 3.185,5 3.438,6 3.131,7 7.371,8 3.31,9 3.226,10 0.669,11 78.635,12 10.903,13 5.441,14 1.4,15 2.966,16 3.307,17 125.119,18 3.263,19 3.019,20 4.96,21 3.533,22 0.797,23 2.904,24 202.506,25 2,26 1.063,27 0.316,28 4.318,29 25.412,30 69.551,31 69.551,32 0.51,33 0.966,34 14.06,35 13.189,36 -0.951,37 3.639,38 0.51,39 2.472,40 5.816,41 5.816,42 3.212,43 -0.674,44 -0.674,45 11.826,46 4.546,47 16.325,48 477.288,49 1.141,50 3.461,51 1.18,52 707.42,53 -0.651,54 1.023,55 3.355,56 182.18,57 1.204,58 41.304,59 2.108,60 2.108,61 151.119,62 10.156,63 111.342,64 1.488,65 1.488,66 1.679,67 9.425,68 16.75,69 3.694,70 40.635,71 11.705,72 3.468,73 0.959,74 16.212,75 16.212,76 16.212,77 16.212,78 16.212,79 16.813,80 1.316,81 -0.998,82 -0.998,83 14683,84 3.944,85 862,86 41.238,87 3.265,88 7.981,89 3.246,90 3.631,91 158.822,92 379.286,93 0.945,94 443,95 -1.891,96 -1.891,97 24.955,98 14.461,99 41.484,100 -1.966,101 -1.966,102 1.182,103 13.356,104 13.356,105 13.356,106 13.356,107 13.356,108 6.869,109 1.065,110 3.654,111 3.441,112 40.934,113 472.15,114 84.976,115 3.204,116 3.324,117 4.869,118 3.267,119 1.125,120 0.125,121 4.504,122 31280,123 5.306,124 1.005,125 4.89,126 132,127 5.352,128 172.77,129 3.015,130 4.622,131 13.06,132 121.005,133 0.667,134 3,135 4.689,136 16.027,137 25,138 3.332,139 3.332,140 5.4}
{0 CHEMBL1967531,1 1,3 3.426,4 3.211,5 3.473,6 3.177,7 8.797,8 3.308,9 3.422,10 1.042,11 83.353,12 13.158,13 6.469,14 1.368,15 3.097,16 3.453,17 137.077,18 3.259,19 3.094,20 5.034,21 3.597,22 1.174,23 2.989,24 216.295,25 3,26 1.213,27 0.758,28 4.107,29 28.643,30 68.736,31 68.736,32 0.62,33 1.107,34 15.093,35 14.456,36 -0.309,37 3.545,38 0.807,39 2.898,40 5.677,41 5.677,42 3.3,43 -0.238,44 -0.238,45 12.704,46 4.65,47 18.011,48 416.318,49 1.233,50 3.769,51 1.302,52 641.32,53 -0.232,54 1.176,55 3.308,56 191.864,57 1.372,58 43.579,59 2,60 2,61 168.375,62 11.899,63 114.211,64 1.513,65 1.513,66 1.684,67 10.671,68 17,69 3.382,70 43.087,71 11.348,72 4.771,73 1.062,74 17.861,75 17.861,76 17.861,77 17.861,78 17.861,79 18.29,80 1.402,81 0.19,82 0.19,83 14717,84 4.004,85 900,86 44.202,87 3.482,88 8.061,89 3.395,90 3.942,91 180.349,92 431.811,93 0.894,94 414,95 -0.559,96 -0.559,97 29.938,98 15.034,99 44.221,100 -0.775,101 -0.775,102 2.187,103 14.348,104 14.348,105 14.348,106 14.348,107 14.348,108 7.905,109 1,110 3.801,111 3.443,112 43.019,113 440.43,114 104.575,115 3.485,116 3.589,117 4.945,118 3.304,119 1.095,120 0.095,121 5.095,122 26743,123 5.694,124 1.322,125 4.934,126 138,127 5.389,128 188.905,129 2.939,130 4.672,131 14.679,132 129.175,133 0.75,134 7,135 4.064,136 18.286,137 26,138 3.401,139 3.401,140 5.4}
{0 CHEMBL1967544,1 3,3 3.73,4 3.611,5 3.74,6 3.655,7 13.05,8 3.615,9 4.34,10 2.18,11 115.877,12 18.185,13 10.589,14 1.738,15 3.369,16 3.814,17 216.692,18 3.531,19 3.364,20 5.976,21 3.986,22 2.488,23 3.118,24 369.486,25 7,26 1.505,27 2.042,28 4.639,29 41.518,30 99.971,31 99.971,32 1.268,33 1.533,34 21.004,35 20.982,36 1.478,37 4.384,38 1.333,39 3.608,40 8.289,41 8.289,42 4.238,43 1.094,44 1.094,45 17.396,46 5.093,47 25.494,48 541.499,49 1.575,50 4.521,51 1.761,52 873.85,53 1.033,54 1.436,55 4.191,56 301.232,57 1.628,58 60.998,59 2.473,60 2.473,61 292.25,62 17.266,63 180.117,64 1.703,65 1.703,66 1.779,67 14.291,68 23,69 4.315,70 60.877,71 15.985,72 8.112,73 1.516,74 24.402,75 24.402,76 24.402,77 24.402,78 24.402,79 24.841,80 1.753,81 2.857,82 2.857,83 28008,84 4.321,85 2444,86 61.623,87 3.859,88 9.063,89 4.322,90 4.409,91 257.428,92 619.884,93 1.378,94 558,95 2.488,96 2.488,97 43.961,98 20.427,99 63.167,100 1.926,101 1.926,102 2.698,103 19.714,104 19.714,105 19.714,106 19.714,107 19.714,108 11.599,109 1.562,110 4.204,111 3.763,112 60.907,113 595.926,114 145.007,115 4.441,116 4.487,117 5.288,118 3.616,119 1.154,120 0.154,121 6.608,122 47407,123 7.861,124 2.6,125 5.283,126 196,127 5.746,128 344.304,129 3.433,130 5.142,131 21.386,132 193.457,133 0.6,134 18,135 6.17,136 25.536,137 36,138 3.714,139 3.714,140 5.4}
{0 CHEMBL1967560,1 5,2 1,3 3.782,4 3.645,5 3.838,6 3.64,7 13.551,8 3.635,9 4.302,10 1.992,11 116.637,12 18.389,13 10.334,14 1.751,15 3.338,16 3.849,17 267.823,18 3.564,19 3.354,20 5.936,21 3.93,22 2,23 3.437,24 384.045,25 7,26 1.553,27 1.984,28 4.954,29 45.218,30 118.284,31 118.284,32 1.257,33 1.614,34 24.229,35 22.736,36 1,37 4.349,38 1.685,39 3.827,40 8.238,41 8.238,42 4.186,43 1,44 1,45 18.389,46 5.171,47 27.473,48 570.477,49 1.698,50 4.532,51 1.786,52 846.03,53 0.983,54 1.489,55 4.114,56 273.346,57 1.507,58 63.096,59 2.565,60 2.565,61 376.539,62 16.495,63 191.421,64 2.167,65 2.167,66 1.787,67 14.896,68 26.5,69 4.187,70 62.777,71 16.495,72 7.83,73 1.622,74 25.825,75 25.825,76 25.825,77 25.825,78 25.825,79 26.57,80 1.766,81 2.618,82 2.618,83 33098,84 4.37,85 2746,86 65.109,87 3.864,88 9.189,89 4.31,90 4.677,91 275.721,92 664.518,93 1.49,94 536,95 2.275,96 2.275,97 47.83,98 21.611,99 66.159,100 1.372,101 1.372,102 2.586,103 20.56,104 20.56,105 20.56,106 20.56,107 20.56,108 13.302,109 1.938,110 4.244,111 3.665,112 62.846,113 571.702,114 147.504,115 4.437,116 4.528,117 5.215,118 3.668,119 1.074,120 0.074,121 6.879,122 52203,123 8.417,124 2.177,125 5.323,126 204,127 5.784,128 413.823,129 3.512,130 5.218,131 22.958,132 211.289,133 0.8,134 12,135 6.066,136 26.811,137 38,138 3.761,139 3.761,140 5.4}
{0 CHEMBL1967564,1 1,3 3.243,4 3.017,5 3.311,6 3.003,7 6.314,8 3.132,9 2.885,10 0.028,11 57.953,12 9.275,13 4.449,14 1.393,15 2.9,16 3.153,17 119.594,18 3.062,19 2.906,20 4.48,21 3.215,22 0.453,23 2.615,24 141.399,25 3,26 1.095,27 -0.055,28 4.367,29 21.434,30 51.859,31 51.859,32 -0.623,33 0.995,34 11.266,35 10.604,36 -1.561,37 3.129,38 -0.487,39 2,40 4.382,41 4.382,42 2.752,43 -1.043,44 -1.043,45 9.275,46 4.189,47 13.321,48 303.158,49 1.122,50 3.292,51 1.357,52 447.94,53 -1.033,54 1.024,55 2.567,56 128.126,57 1.239,58 31.397,59 1.569,60 1.569,61 144.1,62 8.167,63 80.711,64 1.116,65 1.116,66 1.603,67 7.893,68 12.25,69 2.823,70 31.207,71 8.167,72 2.988,73 0.976,74 13.093,75 13.093,76 13.093,77 13.093,78 13.093,79 13.244,80 1.391,81 -2.01,82 -2.01,83 5210,84 3.693,85 408,86 32.098,87 3.163,88 7.183,89 2.948,90 3.177,91 133.565,92 317.658,93 0.938,94 289,95 -2.806,96 -2.806,97 22.284,98 10.608,99 32.21,100 -3.502,101 -3.502,102 0.728,103 10.368,104 10.368,105 10.368,106 10.368,107 10.368,108 6.238,109 0.306,110 3.499,111 3.092,112 31.206,113 305.77,114 69.818,115 3.05,116 3.185,117 4.623,118 3.011,119 1.308,120 0.308,121 3.701,122 8330,123 4.25,124 0.605,125 4.615,126 100,127 5.069,128 155.71,129 2.549,130 4.214,131 10.837,132 81.722,133 0.333,134 5,135 2.963,136 13.242,137 19,138 3.091,139 3.091,140 5.4}
{0 CHEMBL1967720,3 3.823,4 3.724,5 3.856,6 3.723,7 12.463,8 3.606,9 4.225,10 2.423,11 118.191,12 18.189,13 10.054,14 1.609,15 3.426,16 3.813,17 251.121,18 3.56,19 3.425,20 5.616,21 3.949,22 2.5,23 3.487,24 377.621,25 6,26 1.459,27 2,28 4.918,29 41.891,30 109.088,31 109.088,32 1.216,33 1.407,34 21.634,35 21.344,36 1.5,37 4.2,38 1.275,39 3.758,40 7.667,41 7.667,42 4.122,43 1,44 1,45 18.129,46 5.156,47 26.064,48 636.834,49 1.523,50 4.341,51 1.545,52 958.52,53 1,54 1.436,55 4.211,56 290.295,57 1.691,58 65.365,59 2.57,60 2.57,61 304.896,62 17.333,63 193.421,64 2.097,65 2.097,66 1.784,67 14.293,68 24.5,69 4.204,70 64.213,71 17.442,72 7.243,73 1.457,74 25.081,75 25.081,76 25.081,77 25.081,78 25.081,79 25.554,80 1.59,81 2.586,82 2.586,83 41476,84 4.366,85 3014,86 65.9,87 3.83,88 9.166,89 4.124,90 4.748,91 259.695,92 625.415,93 1.289,94 616,95 2.54,96 2.54,97 43.387,98 21.479,99 66.829,100 2.275,101 2.275,102 2.658,103 20.684,104 20.684,105 20.684,106 20.684,107 20.684,108 11.501,109 2.019,110 4.203,111 3.8,112 64.174,113 656.933,114 146.818,115 4.208,116 4.191,117 5.332,118 3.668,119 1.077,120 0.077,121 6.738,122 77411,123 8.083,124 2.563,125 5.342,126 208,127 5.808,128 332.896,129 3.543,130 5.214,131 21.623,132 213.682,133 0.8,134 6,135 6.169,136 26.51,137 38,138 3.761,139 3.761,140 6.1}
{0 CHEMBL1967878,1 1,2 1,3 3.729,4 3.562,5 3.789,6 3.555,7 11.467,8 3.461,9 3.899,10 1.613,11 99.993,12 15.474,13 9.353,14 1.67,15 3.173,16 3.723,17 243.111,18 3.412,19 3.202,20 5.543,21 3.784,22 2,23 3.302,24 313.238,25 6,26 1.51,27 1.65,28 5.072,29 38.569,30 99.671,31 99.671,32 1.146,33 1.491,34 20.253,35 18.961,36 0.836,37 4.106,38 1.354,39 3.414,40 7.125,41 7.125,42 3.813,43 0.656,44 0.656,45 15.885,46 4.969,47 23.691,48 482.899,49 1.508,50 4.277,51 1.721,52 710.94,53 0.652,54 1.456,55 3.791,56 237.987,57 1.617,58 57.12,59 2.334,60 2.334,61 319.549,62 14.529,63 162.465,64 2.031,65 2.031,66 1.75,67 12.68,68 22.75,69 4.024,70 56.306,71 15.046,72 7.132,73 1.467,74 22.118,75 22.118,76 22.118,77 22.118,78 22.118,79 22.605,80 1.694,81 2.275,82 2.275,83 24411,84 4.235,85 1917,86 57.719,87 3.738,88 8.77,89 3.96,90 4.422,91 233.355,92 561.146,93 1.249,94 455,95 1.628,96 1.628,97 40.569,98 19.1,99 58.478,100 0.927,101 0.927,102 2.581,103 18.254,104 18.254,105 18.254,106 18.254,107 18.254,108 11.288,109 1.957,110 4.147,111 3.619,112 56.363,113 484.202,114 130.054,115 4.013,116 4.179,117 5.118,118 3.532,119 1.12,120 0.16,121 6.035,122 39985,123 7.028,124 2.048,125 5.209,126 182,127 5.673,128 339.059,129 3.277,130 5.017,131 20.458,132 176.629,133 0.8,134 9,135 5.455,136 22.242,137 33,138 3.638,139 3.638,140 6.9}
{0 CHEMBL1967887,3 3.392,4 3.23,5 3.459,6 3.231,7 6.507,8 3.123,9 3.039,10 0.192,11 61.321,12 9.775,13 4.627,14 1.28,15 2.876,16 3.212,17 134.201,18 3.038,19 2.876,20 4.365,21 3.267,22 0.586,23 2.573,24 149.405,25 4,26 1.024,27 0.097,28 4.593,29 22.961,30 55.514,31 55.514,32 -0.659,33 1.015,34 11.958,35 11.258,36 -1.304,37 3.271,38 -0.276,39 2,40 4.193,41 4.193,42 2.912,43 -0.881,44 -0.881,45 9.775,46 4.266,47 14.052,48 302.441,49 1.175,50 3.518,51 1.237,52 445.79,53 -0.862,54 0.973,55 2.86,56 131.511,57 1.394,58 32.59,59 1.594,60 1.594,61 165.362,62 8.487,63 86.439,64 1.211,65 1.211,66 1.617,67 8.337,68 12.75,69 3.099,70 32.576,71 8.487,72 3.178,73 0.984,74 13.801,75 13.801,76 13.801,77 13.801,78 13.801,79 14.096,80 1.284,81 -2.042,82 -2.042,83 6111,84 3.741,85 478,86 33.036,87 3.222,88 7.329,89 3.151,90 3.294,91 143.157,92 341.063,93 0.815,94 289,95 -2.54,96 -2.54,97 24.046,98 11.305,99 33.681,100 -2.664,101 -2.664,102 0.696,103 10.841,104 10.841,105 10.841,106 10.841,107 10.841,108 6.412,109 0.704,110 3.556,111 3.274,112 32.501,113 307.157,114 78.057,115 3.255,116 3.412,117 4.635,118 3.058,119 1.133,120 0.133,121 3.923,122 9945,123 4.5,124 0.652,125 4.654,126 104,127 5.106,128 175.362,129 2.535,130 4.291,131 11.274,132 88.406,133 0.667,134 4,135 3.027,136 13.949,137 20,138 3.135,139 3.135,140 5.4}
{0 CHEMBL1967992,3 3.275,4 3.094,5 3.357,6 3.096,7 7.09,8 3.215,9 3.423,10 0.551,11 66.495,12 10.865,13 4.947,14 1.265,15 3.012,16 3.321,17 110.511,18 3.165,19 3.037,20 4.348,21 3.3,22 0.61,23 2.781,24 165.171,25 4,26 1.091,27 0.142,28 3.859,29 25.225,30 48.681,31 48.681,32 -0.3,33 1.107,34 13.167,35 12.03,36 -1.141,37 3.397,38 0.302,39 2.255,40 4.219,41 4.219,42 3.309,43 -0.837,44 -0.837,45 10.865,46 4.423,47 15.425,48 294.211,49 1.062,50 3.669,51 1.181,52 437.44,53 -0.818,54 1.049,55 3.171,56 129.997,57 1.181,58 36.022,59 1.665,60 1.665,61 142.776,62 8.981,63 90.107,64 1.176,65 1.176,66 1.647,67 9.473,68 13.25,69 3.364,70 34.757,71 8.981,72 3.479,73 1.062,74 15.422,75 15.422,76 15.422,77 15.422,78 15.422,79 15.56,80 1.235,81 -1.229,82 -1.229,83 8101,84 3.834,85 700,86 37.494,87 3.357,88 7.619,89 3.465,90 3.546,91 159.026,92 379.784,93 0.886,94 289,95 -1.81,96 -1.81,97 26.586,98 12.029,99 35.356,100 -2.347,101 -2.347,102 1.192,103 11.819,104 11.819,105 11.819,106 11.819,107 11.819,108 7.045,109 1,110 3.645,111 3.143,112 34.727,113 307.224,114 89.581,115 3.561,116 3.606,117 4.766,118 3.146,119 1,121 4.446,122 13453,123 5.056,124 0.853,125 4.71,126 110,127 5.153,128 171.995,129 2.635,130 4.43,131 12.285,132 101.475,133 1,134 3,135 3.299,136 15.2,137 22,138 3.219,139 3.219,140 5.4}
{0 CHEMBL1967998,1 1,2 1,3 3.736,4 3.581,5 3.791,6 3.577,7 11.126,8 3.485,9 3.876,10 1.632,11 101.041,12 15.963,13 8.188,14 1.641,15 3.2,16 3.668,17 209.069,18 3.399,19 3.206,20 5.297,21 3.787,22 1.962,23 3.323,24 289.101,25 6,26 1.399,27 1.489,28 4.443,29 36.74,30 88.336,31 88.336,32 1,33 1.429,34 19.531,35 18.602,36 0.722,37 3.968,38 1.104,39 3.414,40 6.776,41 6.776,42 3.783,43 0.53,44 0.53,45 15.674,46 4.954,47 22.887,48 489.68,49 1.624,50 4.129,51 1.712,52 738.8,53 0.504,54 1.311,55 3.94,56 231.643,57 1.634,58 53.686,59 2.37,60 2.37,61 253.239,62 14.359,63 152,64 1.985,65 1.985,66 1.739,67 12.98,68 22.25,69 3.979,70 53.479,71 13.988,72 6.032,73 1.376,74 22.143,75 22.143,76 22.143,77 22.143,78 22.143,79 22.825,80 1.664,81 2.275,82 2.275,83 24854,84 4.214,85 1882,86 53.963,87 3.682,88 8.662,89 3.839,90 4.537,91 227.841,92 547.691,93 1.311,94 477,95 1.225,96 1.225,97 38.756,98 18.889,99 54.454,100 0.919,101 0.919,102 2.5,103 17.73,104 17.73,105 17.73,106 17.73,107 17.73,108 10.622,109 1.534,110 4.043,111 3.644,112 53.612,113 505.584,114 130.001,115 3.92,116 4.017,117 5.103,118 3.502,119 1.074,120 0.074,121 6.13,122 41755,123 7,124 2,125 5.153,126 172,127 5.609,128 290.11,129 3.293,130 4.969,131 18.877,132 171.755,133 0.8,134 7,135 4.968,136 22.416,137 32,138 3.611,139 3.611,140 7}
{0 CHEMBL1968070,3 3.218,4 3.012,5 3.262,6 2.991,7 5.982,8 3.119,9 2.257,10 0.353,11 63.695,12 9.847,13 4.488,14 1.219,15 2.749,16 3.102,17 98.606,18 3.044,19 2.808,20 4.961,21 3.328,22 0.411,23 2.744,24 160.498,25 1,26 0.966,27 0.037,28 4.307,29 20.418,30 53.977,31 53.977,32 -0.262,33 0.784,34 11.459,35 10.732,36 -1.344,37 3.389,38 -0.026,39 2,40 5.823,41 5.823,42 2.15,43 -1,44 -1,45 9.559,46 4.231,47 13.194,48 374.95,49 0.912,50 3.41,51 1.103,52 565.83,53 -0.945,54 0.92,55 2.616,56 152.036,57 1.043,58 33.846,59 2.035,60 2.035,61 120.606,62 9.462,63 86.439,64 1.273,65 1.273,66 1.626,67 7.601,68 13.5,69 3.058,70 33.295,71 9.054,72 3.015,73 0.804,74 13.223,75 13.223,76 13.223,77 13.223,78 13.223,79 13.504,80 1.204,81 -2.094,82 -2.094,83 6573,84 3.736,85 370,86 35.552,87 3.063,88 7.382,89 2.691,90 3.053,91 130.576,92 310.365,93 0.644,94 363,95 -2.233,96 -2.233,97 20.318,98 11.338,99 34.936,100 -2.805,101 -2.805,102 0.695,103 10.844,104 10.844,105 10.844,106 10.844,107 10.844,108 5.535,109 0.511,110 3.469,111 3.263,112 33.426,113 386.644,114 74.208,115 2.724,116 3.131,117 4.682,118 3.06,119 1.267,120 0.267,121 3.585,122 13205,123 4.306,124 0.572,125 4.691,126 108,127 5.153,128 132.606,129 2.934,130 4.297,131 10.733,132 85.327,133 0.333,134 3,135 3.252,136 14.776,137 20,138 3.135,139 3.135,140 5.4}
{0 CHEMBL1968127,1 4,2 1,3 3.736,4 3.581,5 3.794,6 3.556,7 9.758,8 3.552,9 3.873,10 1.148,11 90.746,12 13.927,13 8.393,14 1.68,15 3.215,16 3.589,17 205.61,18 3.455,19 3.215,20 5.284,21 3.681,22 1.697,23 3.021,24 273.78,25 7,26 1.428,27 1.19,28 4.715,29 34.494,30 88.261,31 88.261,32 0.853,33 1.39,34 17.407,35 17.555,36 0.343,37 4.058,38 0.985,39 3.404,40 6.611,41 6.611,42 3.784,43 0.24,44 0.24,45 14.321,46 4.82,47 21.102,48 482.767,49 1.632,50 4.164,51 1.6,52 712.23,53 0.227,54 1.332,55 3.758,56 210.664,57 1.417,58 51.067,59 2.264,60 2.264,61 259.346,62 13.323,63 139.207,64 2.006,65 2.006,66 1.732,67 11.527,68 20.75,69 3.94,70 50.081,71 13.945,72 4.747,73 1.375,74 19.809,75 19.809,76 19.809,77 19.809,78 19.809,79 20.303,80 1.665,81 1.551,82 1.551,83 17971,84 4.132,85 1558,86 50.44,87 3.593,88 8.524,89 3.924,90 4.049,91 211.842,92 508.654,93 1.313,94 452,95 0.673,96 0.673,97 36.04,98 17.183,99 51.411,100 -0.409,101 -0.409,102 2.436,103 16.324,104 16.324,105 16.324,106 16.324,107 16.324,108 9.573,109 1.159,110 3.972,111 3.647,112 50.14,113 486.455,114 115.058,115 3.993,116 4.129,117 5.051,118 3.441,119 1.1,120 0.1,121 5.5,122 29363,123 6.389,124 1.768,125 5.094,126 162,127 5.557,128 270.955,129 3.203,130 4.875,131 17.153,132 153.401,133 0.75,134 9,135 4.671,136 20.433,137 30,138 3.526,139 3.526,140 6.8}
{0 CHEMBL1968151,1 3,3 3.185,4 2.946,5 3.229,6 2.884,7 6.474,8 2.925,9 2.737,10 0.194,11 63.34,12 9.781,13 4.916,14 1.096,15 2.735,16 3.103,17 95.947,18 2.854,19 2.715,20 4.428,21 3.372,22 0.354,23 2.58,24 153.638,25 1,26 0.889,27 -0.049,28 4.287,29 19.536,30 47.931,31 47.931,32 -0.756,33 0.933,34 11.29,35 10.386,36 -1.5,37 3.067,38 -0.588,39 2.345,40 4.322,41 4.322,42 2.553,43 -1,44 -1,45 9.326,46 4.203,47 13.078,48 371.09,49 1.062,50 3.116,51 1.165,52 573.23,53 -0.946,54 0.87,55 2.741,56 164.439,57 1.09,58 34.533,59 1.703,60 1.703,61 111.457,62 9.108,63 76.711,64 1.118,65 1.118,66 1.606,67 7.757,68 13.5,69 3.053,70 33.992,71 8.525,72 3.694,73 0.943,74 13.223,75 13.223,76 13.223,77 13.223,78 13.223,79 13.688,80 1.107,81 -2.347,82 -2.347,83 5752,84 3.713,85 332,86 34.848,87 3.104,88 7.204,89 2.892,90 3.196,91 121.984,92 289.402,93 0.886,94 364,95 -2.786,96 -2.786,97 19.892,98 11.63,99 34.438,100 -3.283,101 -3.283,102 0.754,103 10.898,104 10.898,105 10.898,106 10.898,107 10.898,108 5.573,109 0.646,110 3.474,111 3.151,112 33.955,113 386.065,114 68.741,115 2.969,116 2.961,117 4.7,118 3.013,119 1.222,120 0.222,121 3.709,122 10946,123 4.056,124 0.5,125 4.691,126 108,127 5.153,128 114.211,129 2.623,130 4.222,131 10.972,132 80.233,133 0.5,134 7,135 3.092,136 13.173,137 19,138 3.135,139 3.135,140 5.4}
{0 CHEMBL1968245,3 3.625,4 3.478,5 3.688,6 3.482,7 9.737,8 3.438,9 3.769,10 1.241,11 90.901,12 14.475,13 7.164,14 1.622,15 3.223,16 3.588,17 187.316,18 3.377,19 3.227,20 5.169,21 3.653,22 1.773,23 3.045,24 242.104,25 7,26 1.381,27 1.439,28 4.836,29 33.369,30 77.912,31 77.912,32 0.833,33 1.26,34 17.14,35 16.511,36 0.654,37 3.889,38 0.988,39 3.147,40 6.387,41 6.387,42 3.679,43 0.531,44 0.531,45 14.187,46 4.812,47 20.428,48 413.5,49 1.404,50 3.948,51 1.579,52 629.1,53 0.477,54 1.32,55 3.803,56 195.451,57 1.626,58 47.878,59 2.182,60 2.182,61 241.786,62 12.833,63 136.881,64 1.546,65 1.546,66 1.715,67 12.032,68 18.5,69 3.786,70 47.041,71 12.462,72 4.896,73 1.244,74 19.93,75 19.93,76 19.93,77 19.93,78 19.93,79 20.374,80 1.616,81 1.586,82 1.586,83 19535,84 4.108,85 1468,86 48.098,87 3.613,88 8.39,89 3.765,90 4.282,91 209.126,92 502.027,93 1.236,94 408,95 1.23,96 1.23,97 35.188,98 16.606,99 47.83,100 -0.048,101 -0.048,102 2.367,103 15.825,104 15.825,105 15.825,106 15.825,107 15.825,108 9.293,109 1.211,110 3.94,111 3.506,112 47.197,113 433.88,114 117.602,115 3.878,116 3.935,117 5.007,118 3.407,119 1.095,120 0.095,121 5.766,122 34044,123 6.417,124 2.088,125 5.017,126 150,127 5.468,128 264.193,129 3.134,130 4.831,131 16.598,132 150.787,133 0.75,134 4,135 4.46,136 20.554,137 29,138 3.497,139 3.497,140 5.4}
{0 CHEMBL1968380,1 3,2 1,3 3.784,4 3.649,5 3.839,6 3.649,7 13.766,8 3.656,9 4.326,10 1.992,11 116.099,12 18.389,13 10.66,14 1.751,15 3.429,16 3.869,17 269.671,18 3.596,19 3.434,20 5.936,21 3.921,22 2,23 3.437,24 384.045,25 7,26 1.577,27 1.984,28 4.954,29 45.723,30 117.4,31 117.4,32 1.243,33 1.614,34 24.229,35 22.866,36 1,37 4.35,38 1.647,39 3.827,40 8.238,41 8.238,42 4.205,43 1,44 1,45 18.389,46 5.171,47 27.632,48 543.776,49 1.701,50 4.572,51 1.798,52 810.21,53 0.983,54 1.507,55 4.107,56 269.849,57 1.52,58 63.096,59 2.565,60 2.565,61 381.465,62 16.495,63 191.421,64 2.167,65 2.167,66 1.787,67 14.896,68 26.25,69 4.183,70 62.777,71 16.495,72 8.176,73 1.622,74 25.825,75 25.825,76 25.825,77 25.825,78 25.825,79 26.489,80 1.78,81 2.618,82 2.618,83 32586,84 4.37,85 2746,86 64.991,87 3.892,88 9.189,89 4.321,90 4.677,91 278.519,92 671.346,93 1.516,94 514,95 2.275,96 2.275,97 48.586,98 21.543,99 66.159,100 1.372,101 1.372,102 2.586,103 20.56,104 20.56,105 20.56,106 20.56,107 20.56,108 13.54,109 1.938,110 4.272,111 3.665,112 62.827,113 547.986,114 148.213,115 4.452,116 4.546,117 5.215,118 3.668,119 1.074,120 0.074,121 6.879,122 50645,123 8.417,124 2.177,125 5.323,126 204,127 5.784,128 421.523,129 3.525,130 5.218,131 23.323,132 211.289,133 0.8,134 11,135 6.108,136 26.811,137 38,138 3.761,139 3.761,140 5.4}
{0 CHEMBL1968406,1 1,3 3.525,4 3.347,5 3.584,6 3.34,7 10.758,8 3.485,9 3.694,10 1.311,11 94.384,12 15.027,13 8.428,14 1.618,15 3.263,16 3.643,17 194.358,18 3.414,19 3.25,20 5.371,21 3.738,22 1.584,23 3.275,24 280.172,25 3,26 1.434,27 1.43,28 4.654,29 34.223,30 81.403,31 81.403,32 0.645,33 1.29,34 17.885,35 17.345,36 0.482,37 3.85,38 0.958,39 3.25,40 6.831,41 6.831,42 3.58,43 0.431,44 0.431,45 14.619,46 4.848,47 21.37,48 467.661,49 1.474,50 4.109,51 1.69,52 729.5,53 0.43,54 1.362,55 3.542,56 233.205,57 1.512,58 51.38,59 2.256,60 2.256,61 237.378,62 14.025,63 145.207,64 1.881,65 1.881,66 1.724,67 11.997,68 19.5,69 3.648,70 51.185,71 13.383,72 6.595,73 1.284,74 20.627,75 20.627,76 20.627,77 20.627,78 20.627,79 21.047,80 1.658,81 1.468,82 1.468,83 19445,84 4.153,85 1344,86 52.385,87 3.684,88 8.486,89 3.692,90 4.19,91 211.325,92 507.392,93 1.208,94 467,95 0.627,96 0.627,97 36.222,98 17.475,99 53.123,100 0.196,101 0.196,102 2.301,103 16.77,104 16.77,105 16.77,106 16.77,107 16.77,108 9.924,109 1.374,110 4.037,111 3.489,112 51.168,113 494.152,114 122.323,115 3.791,116 3.953,117 5.097,118 3.441,119 1.261,120 0.261,121 5.656,122 33310,123 6.5,124 1.861,125 5.118,126 166,127 5.58,128 266.539,129 3.206,130 4.878,131 18.118,132 154.987,133 0.4,134 8,135 4.81,136 21.018,137 30,138 3.555,139 3.555,140 5.4}
{0 CHEMBL1968590,3 3.45,4 3.324,5 3.5,6 3.348,7 9.692,8 3.347,9 3.637,10 0.918,11 86.287,12 13.425,13 7.93,14 1.503,15 3.155,16 3.49,17 169.051,18 3.273,19 3.123,20 4.987,21 3.678,22 1.311,23 3.156,24 228.54,25 3,26 1.373,27 0.828,28 4.957,29 29.335,30 71.767,31 71.767,32 0.4,33 1.21,34 15.056,35 15.871,36 -0.214,37 3.969,38 0.774,39 2.713,40 5.851,41 5.851,42 3.496,43 -0.152,44 -0.152,45 12.563,46 4.624,47 18.252,48 421.314,49 1.329,50 3.958,51 1.539,52 679.56,53 -0.147,54 1.354,55 3.647,56 220.691,57 1.446,58 44.553,59 2.165,60 2.165,61 208.213,62 12.811,63 122.211,64 1.723,65 1.723,66 1.692,67 10.12,68 16.5,69 3.936,70 43.938,71 11.558,72 6.099,73 1.209,74 17.61,75 17.61,76 17.61,77 17.61,78 17.61,79 18.184,80 1.531,81 0.382,82 0.382,83 13065,84 4,85 1008,86 45.087,87 3.558,88 8.098,89 3.672,90 3.747,91 187.613,92 449.535,93 1.188,94 435,95 -0.314,96 -0.314,97 31.341,98 15.121,99 46.27,100 -1.257,101 -1.257,102 1.886,103 14.241,104 14.241,105 14.241,106 14.241,107 14.241,108 8.065,109 1.094,110 3.866,111 3.488,112 43.832,113 462.009,114 110.681,115 3.813,116 3.859,117 4.977,118 3.305,119 1.222,120 0.222,121 4.735,122 23415,123 5.667,124 1.481,125 4.963,126 142,127 5.425,128 214.968,129 3.125,130 4.666,131 15.135,132 126.096,133 0.5,134 6,135 4.089,136 18.966,137 26,138 3.401,139 3.401,140 5.4}
{0 CHEMBL1968705,1 1,3 3.853,4 3.682,5 3.919,6 3.683,7 13.919,8 3.724,9 4.514,10 2.395,11 122.528,12 19.64,13 10.148,14 1.828,15 3.517,16 3.914,17 277.609,18 3.67,19 3.512,20 5.444,21 3.958,22 2.466,23 3.528,24 407.722,25 10,26 1.598,27 2.071,28 5.053,29 46.428,30 110.161,31 110.161,32 1.353,33 1.598,34 24.597,35 22.613,36 1.463,37 4.314,38 1.475,39 3.612,40 7.188,41 7.188,42 4.425,43 1.102,44 1.102,45 19.64,46 5.28,47 28.787,48 597.444,49 1.751,50 4.357,51 1.86,52 884.63,53 1.065,54 1.527,55 4.355,56 270.776,57 1.603,58 66.705,59 2.495,60 2.495,61 368.863,62 17.464,63 208.877,64 2.226,65 2.226,66 1.806,67 16.696,68 26.5,69 4.384,70 66.583,71 17.464,72 7.127,73 1.647,74 27.781,75 27.781,76 27.781,77 27.781,78 27.781,79 28.294,80 1.84,81 2.766,82 2.766,83 39214,84 4.436,85 3954,86 67.778,87 3.932,88 9.368,89 4.429,90 5.088,91 281.269,92 678.056,93 1.577,94 571,95 2.502,96 2.502,97 48.847,98 23.127,99 67.148,100 2.372,101 2.372,102 2.625,103 22.289,104 22.289,105 22.289,106 22.289,107 22.289,108 13.744,109 1.631,110 4.286,111 3.723,112 66.578,113 603.66,114 154.244,115 4.506,116 4.422,117 5.332,118 3.718,119 1.133,120 0.133,121 7.962,122 64000,123 8.778,124 2.589,125 5.371,126 214,127 5.826,128 417.102,129 3.461,130 5.283,131 23.951,132 225.694,133 0.667,134 9,135 6.315,136 27.313,137 40,138 3.829,139 3.829,140 5.4}
{0 CHEMBL1968727,3 3.59,4 3.431,5 3.643,6 3.434,7 10.877,8 3.525,9 4.228,10 1.777,11 99.292,12 15.611,13 9.443,14 1.675,15 3.327,16 3.669,17 206.728,18 3.517,19 3.322,20 5.483,21 3.788,22 1.847,23 3.244,24 296.214,25 7,26 1.394,27 1.442,28 4.449,29 36.378,30 91.139,31 91.139,32 1.185,33 1.313,34 18.283,35 18.772,36 0.629,37 4.197,38 1.309,39 3.478,40 7.266,41 7.266,42 4.115,43 0.543,44 0.543,45 15.203,46 4.907,47 22.229,48 514.624,49 1.459,50 4.077,51 1.575,52 782.38,53 0.478,54 1.379,55 4.192,56 242.042,57 1.567,58 54.672,59 2.424,60 2.424,61 244.716,62 15.614,63 155.245,64 1.89,65 1.89,66 1.75,67 12.177,68 20,69 4.163,70 53.641,71 14.971,72 5.908,73 1.329,74 20.936,75 20.936,76 20.936,77 20.936,78 20.936,79 21.352,80 1.64,81 2.292,82 2.292,83 22743,84 4.192,85 1960,86 55.406,87 3.701,88 8.723,89 4.124,90 4.212,91 226.71,92 544.934,93 1.322,94 502,95 1.209,96 1.209,97 38.097,98 18.049,99 54.261,100 0.86,101 0.86,102 2.502,103 17.322,104 17.322,105 17.322,106 17.322,107 17.322,108 10.003,109 1.519,110 4.048,111 3.525,112 53.56,113 535.989,114 123.082,115 4.21,116 4.118,117 5.137,118 3.503,119 1.1,120 0.1,121 5.861,122 40331,123 6.778,124 2.307,125 5.153,126 172,127 5.617,128 277.936,129 3.389,130 4.968,131 18.227,132 167.231,133 0.75,134 8,135 5.091,136 23.234,137 32,138 3.584,139 3.584,140 5.7}
{0 CHEMBL1968791,1 2,3 3.816,4 3.713,5 3.854,6 3.708,7 12.776,8 3.788,9 4.304,10 1.942,11 106.237,12 17.17,13 10.089,14 1.751,15 3.598,16 3.836,17 241.205,18 3.73,19 3.59,20 5.442,21 3.835,22 2.226,23 3.363,24 350.492,25 7,26 1.577,27 2,28 4.723,29 42.197,30 94.991,31 94.991,32 1.188,33 1.644,34 21.629,35 20.36,36 1.196,37 4.201,38 1.259,39 3.491,40 7.156,41 7.156,42 4.179,43 1,44 1,45 17.17,46 5.084,47 25.842,48 480.215,49 1.746,50 4.497,51 1.806,52 725.55,53 1,54 1.507,55 4.028,56 248.645,57 1.688,58 60.234,59 2.509,60 2.509,61 321.153,62 15.521,63 169.525,64 2.171,65 2.171,66 1.77,67 14.424,68 23.25,69 4.106,70 59.854,71 15.521,72 7.72,73 1.621,74 24.292,75 24.292,76 24.292,77 24.292,78 24.292,79 24.77,80 1.793,81 2.51,82 2.51,83 25578,84 4.305,85 2523,86 60.171,87 3.872,88 8.96,89 4.249,90 4.682,91 253.282,92 609.767,93 1.54,94 463,95 2.136,96 2.136,97 45.143,98 20.612,99 60.956,100 1.999,101 1.999,102 2.58,103 19.822,104 19.822,105 19.822,106 19.822,107 19.822,108 12.645,109 1.59,110 4.218,111 3.743,112 59.928,113 490.143,114 142.236,115 4.388,116 4.49,117 5.207,118 3.589,119 1.067,120 0.067,121 6.924,122 39366,123 7.556,124 2.5,125 5.273,126 194,127 5.759,128 359.193,129 3.464,130 5.09,131 22.391,132 188.952,133 0.833,134 11,135 5.604,136 23.777,137 35,138 3.714,139 3.714,140 5.4}
{0 CHEMBL1968850,3 3.066,4 2.88,5 3.137,6 2.861,7 5.323,8 2.852,9 1.742,10 -0.31,11 54.901,12 8.526,13 3.941,14 0.987,15 2.64,16 2.978,17 78.82,18 2.799,19 2.649,20 4.227,21 3.189,22 -0.049,23 2.529,24 126.608,26 0.799,27 -0.503,28 3.768,29 17.682,30 44.334,31 44.334,32 -0.853,33 0.536,34 9.897,35 9.323,36 -1.85,37 2.864,38 -0.839,39 1.719,40 3.723,41 3.723,42 1.531,43 -1.367,44 -1.367,45 8.237,46 4.023,47 11.474,48 311.468,49 0.82,50 3.101,51 0.993,52 472.31,53 -1.222,54 0.754,55 2.039,56 129.375,57 0.949,58 28.767,59 1.446,60 1.446,61 90.429,62 8.004,63 69.487,64 1,65 1,66 1.576,67 6.759,68 11.5,69 2.397,70 28.357,71 7.595,72 2.622,73 0.538,74 11.516,75 11.516,76 11.516,77 11.516,78 11.516,79 11.821,80 1.007,81 -2.691,82 -2.691,83 4181,84 3.59,85 199,86 29.969,87 2.956,88 6.903,89 2.134,90 2.882,91 113.121,92 267.774,93 0.526,94 304,95 -3.622,96 -3.622,97 17.858,98 9.926,99 29.325,100 -4.671,101 -4.671,102 0.47,103 9.393,104 9.393,105 9.393,106 9.393,107 9.393,108 4.899,109 -0.032,110 3.333,111 3.129,112 28.518,113 323.22,114 65.627,115 2.258,116 2.733,117 4.522,118 2.911,119 1.267,120 0.267,121 3.233,122 7973,123 3.667,124 0.349,125 4.533,126 92,127 4.99,128 102.039,129 2.436,130 4.065,131 9.353,132 67.771,133 0.333,134 2,135 2.708,136 12.328,137 17,138 2.996,139 2.996,140 5.5}
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{0 CHEMBL1968926,1 1,2 1,3 3.171,4 3.044,5 3.225,6 3.088,7 6.897,8 2.925,9 2.912,10 0.209,11 62.853,12 9.87,13 4.919,14 1.225,15 2.735,16 3.161,17 99.399,18 2.854,19 2.715,20 3.636,21 3.322,22 0.5,23 2.5,24 131.806,25 4,26 0.997,27 -0.049,28 3.844,29 21.38,30 49.258,31 49.258,32 -0.702,33 1.107,34 11.312,35 10.97,36 -1.5,37 3.172,38 -0.286,39 1.555,40 3.139,41 3.139,42 2.798,43 -1,44 -1,45 9.416,46 4.225,47 13.382,48 288.438,49 1.062,50 3.269,51 1.181,52 443.51,53 -0.97,54 0.931,55 2.635,56 135.117,57 1.117,58 30.867,59 1.487,60 1.487,61 119.174,62 8.496,63 72.711,64 1,65 1,66 1.595,67 8.311,68 12,69 2.931,70 30.65,71 7.919,72 3.548,73 1.062,74 13.345,75 13.345,76 13.345,77 13.345,78 13.345,79 13.744,80 1.213,81 -2.347,82 -2.347,83 6134,84 3.696,85 425,86 33.043,87 3.213,88 7.15,89 2.871,90 3.387,91 137.772,92 327.924,93 0.886,94 288,95 -2.347,96 -2.347,97 22.716,98 11.068,99 30.708,100 -2.902,101 -2.902,102 0.717,103 10.421,104 10.421,105 10.421,106 10.421,107 10.421,108 5.936,109 0.692,110 3.465,111 3.332,112 30.635,113 307.365,114 78.841,115 2.965,116 3.098,117 4.577,118 3.009,119 1,121 4.015,122 10475,123 4.278,124 0.5,125 4.575,126 96,127 5.017,128 132.825,129 2.468,130 4.22,131 10.612,132 84.131,133 1,134 4,135 2.848,136 13.27,137 19,138 3.091,139 3.091,140 5.4}
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{0 CHEMBL1969506,1 4,3 3.722,4 3.556,5 3.766,6 3.581,7 12.051,8 3.653,9 3.941,10 1.977,11 112.529,12 17.226,13 10.447,14 1.684,15 3.555,16 3.715,17 234.548,18 3.659,19 3.507,20 5.666,21 3.972,22 2.068,23 3.444,24 324.26,25 8,26 1.497,27 1.66,28 4.704,29 38.324,30 104.56,31 104.56,32 1.263,33 1.371,34 19.553,35 19.972,36 0.854,37 4.1,38 1.433,39 3.414,40 7.611,41 7.611,42 3.86,43 0.66,44 0.66,45 16.331,46 5.007,47 23.753,48 611.972,49 1.666,50 4.024,51 1.465,52 947.76,53 0.652,54 1.523,55 3.937,56 290.538,57 1.647,58 60.05,59 2.497,60 2.497,61 272.827,62 18.416,63 168.77,64 2.07,65 2.07,66 1.763,67 12.4,68 22.5,69 4.056,70 58.843,71 17.029,72 5.965,73 1.363,74 22.228,75 22.228,76 22.228,77 22.228,78 22.228,79 22.653,80 1.707,81 2.275,82 2.275,83 34970,84 4.27,85 2453,86 63.264,87 3.723,88 8.93,89 4.005,90 4.501,91 238.699,92 574.186,93 1.372,94 605,95 1.594,96 1.594,97 39.256,98 19.391,99 60.693,100 1.346,101 1.346,102 2.599,103 18.713,104 18.713,105 18.713,106 18.713,107 18.713,108 10.461,109 1.745,110 4.069,111 3.721,112 58.944,113 650.897,114 132.181,115 4.063,116 4.054,117 5.263,118 3.588,119 1.105,120 0.105,121 5.871,122 66274,123 7.236,124 2.5,125 5.263,126 192,127 5.759,128 290.479,129 3.486,130 5.098,131 19.749,132 192.921,133 0.75,134 15,135 6.118,136 25.793,137 35,138 3.664,139 3.664,140 5.4}
{0 CHEMBL1969523,1 2,2 1,3 3.694,4 3.572,5 3.732,6 3.557,7 9.115,8 3.329,9 3.777,10 0.881,11 82.123,12 13.147,13 7.91,14 1.501,15 3.05,16 3.537,17 194.46,18 3.233,19 3.039,20 5.088,21 3.57,22 0.936,23 3.173,24 233.515,25 5,26 1.256,27 0.585,28 4.405,29 32.805,30 81.635,31 81.635,32 0.154,33 1.308,34 15.754,35 16.725,36 -0.466,37 3.946,38 0.835,39 2.885,40 6.096,41 6.096,42 3.679,43 -0.389,44 -0.389,45 13.147,46 4.694,47 19.494,48 422.878,49 1.436,50 3.94,51 1.613,52 631.07,53 -0.362,54 1.162,55 3.584,56 187.391,57 1.604,58 46.517,59 2.127,60 2.127,61 233.441,62 13.057,63 127.851,64 1.744,65 1.744,66 1.711,67 10.252,68 18,69 3.785,70 45.39,71 13.057,72 4.615,73 1.239,74 17.919,75 17.919,76 17.919,77 17.919,78 17.919,79 18.272,80 1.546,83 15076,84 4.045,85 1260,86 46.524,87 3.559,88 8.312,89 3.797,90 3.9,91 205.647,92 493.538,93 1.221,94 404,95 -0.918,96 -0.918,97 34.552,98 15.424,99 47.509,100 -1.071,101 -1.071,102 1.535,103 14.776,104 14.776,105 14.776,106 14.776,107 14.776,108 9.005,109 1.247,110 3.858,111 3.603,112 45.304,113 432.997,114 110.919,115 3.842,116 3.907,117 4.963,118 3.374,119 1,121 4.894,122 23485,123 5.944,124 1.295,125 5.004,126 148,127 5.501,128 256.786,129 3.075,130 4.78,131 15.674,132 141.75,133 1,134 4,135 4.361,136 20.474,137 28,138 3.434,139 3.434,140 5.6}
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{0 CHEMBL1969561,1 2,3 3.666,4 3.476,5 3.744,6 3.471,7 9.224,8 3.386,9 4.108,10 1.244,11 84.887,12 13.542,13 7.112,14 1.643,15 3.136,16 3.533,17 184.644,18 3.318,19 3.152,20 5.327,21 3.6,22 1.655,23 3.034,24 252.99,25 5,26 1.312,27 1.327,28 4.543,29 32.058,30 76.337,31 76.337,32 1,33 1.386,34 16.399,35 16.125,36 0.421,37 4.048,38 1.004,39 3.063,40 6.66,41 6.66,42 3.972,43 0.322,44 0.322,45 13.542,46 4.736,47 19.747,48 444.364,49 1.508,50 3.98,51 1.552,52 655.12,53 0.32,54 1.23,55 3.808,56 195.202,57 1.434,58 47.576,59 2.214,60 2.214,61 227.173,62 12.305,63 125.851,64 1.534,65 1.534,66 1.719,67 11.065,68 17.75,69 3.96,70 46.869,71 12.305,72 4.921,73 1.397,74 18.913,75 18.913,76 18.913,77 18.913,78 18.913,79 19.168,80 1.593,81 1.089,82 1.089,83 13818,84 4.068,85 1364,86 48.109,87 3.551,88 8.356,89 4.02,90 3.873,91 198.124,92 475.183,93 1.242,94 422,95 0.746,96 0.746,97 33.58,98 15.656,99 48.337,100 -0.186,101 -0.186,102 2.298,103 15.274,104 15.274,105 15.274,106 15.274,107 15.274,108 9.095,109 1.078,110 3.905,111 3.547,112 46.886,113 450.856,114 111.315,115 4.099,116 4.03,117 5.006,118 3.376,119 1.1,120 0.1,121 5.23,122 22582,123 6.111,124 1.903,125 5.017,126 150,127 5.476,128 247.173,129 3.191,130 4.777,131 16.121,132 137.903,133 0.75,134 17,135 4.383,136 19.673,137 28,138 3.466,139 3.466,140 5.4}
{0 CHEMBL1969588,3 3.376,4 3.231,5 3.441,6 3.226,7 8.051,8 3.342,9 3.484,10 0.712,11 75.703,12 12.082,13 5.892,14 1.457,15 3.095,16 3.4,17 131.548,18 3.266,19 3.093,20 4.786,21 3.483,22 0.923,23 2.933,24 197.56,25 4,26 1.238,27 0.43,28 4.329,29 27.074,30 58.817,31 58.817,32 0.209,33 1.107,34 14.06,35 13.586,36 -0.555,37 3.78,38 0.49,39 2.564,40 5.376,41 5.376,42 3.357,43 -0.438,44 -0.438,45 11.793,46 4.546,47 16.93,48 362.806,49 1.141,50 3.76,51 1.468,52 558.17,53 -0.396,54 1.169,55 3.426,56 167.252,57 1.341,58 40.614,59 1.964,60 1.964,61 168.846,62 10.878,63 104.039,64 1.493,65 1.493,66 1.669,67 10.055,68 15.75,69 3.66,70 40.312,71 10.469,72 4.066,73 1.062,74 16.654,75 16.654,76 16.654,77 16.654,78 16.654,79 17.044,80 1.472,81 -0.943,82 -0.943,83 10648,84 3.932,85 796,86 40.539,87 3.423,88 7.862,89 3.492,90 3.747,91 169.687,92 405.797,93 0.999,94 361,95 -1.119,96 -1.119,97 28.449,98 14.07,99 40.666,100 -1.667,101 -1.667,102 1.822,103 13.392,104 13.392,105 13.392,106 13.392,107 13.392,108 7.634,109 1,110 3.758,111 3.389,112 40.503,113 382.206,114 98.906,115 3.592,116 3.685,117 4.864,118 3.229,119 1.095,120 0.095,121 4.84,122 18546,123 5.25,124 0.979,125 4.86,126 128,127 5.313,128 193.376,129 2.828,130 4.557,131 13.89,132 114.061,133 0.75,134 3,135 3.718,136 16.855,137 24,138 3.332,139 3.332,140 5.7}
{0 CHEMBL1969664,3 3.496,4 3.373,5 3.536,6 3.354,7 8.246,8 3.208,9 3.238,10 0.677,11 76.855,12 12.242,13 6.161,14 1.381,15 2.987,16 3.428,17 168.991,18 3.147,19 2.993,20 5.082,21 3.493,22 1.021,23 2.991,24 210.581,25 3,26 1.206,27 0.613,28 4.645,29 28.203,30 67.56,31 67.56,32 0.422,33 1.233,34 15.382,35 13.697,36 -0.393,37 3.562,38 0.724,39 2.804,40 6.099,41 6.099,42 3.157,43 -0.311,44 -0.311,45 12.242,46 4.592,47 17.648,48 373.906,49 1.376,50 3.819,51 1.513,52 558.71,53 -0.284,54 1.167,55 3.115,56 171.256,57 1.395,58 43.118,59 2.09,60 2.09,61 199.72,62 10.822,63 112.096,64 1.523,65 1.523,66 1.678,67 10.251,68 16.75,69 3.333,70 41.709,71 10.822,72 4.499,73 1.251,74 17.317,75 17.317,76 17.317,77 17.317,78 17.317,79 17.744,80 1.429,81 0.178,82 0.178,83 11934,84 3.968,85 895,86 44.78,87 3.43,88 7.964,89 3.374,90 3.788,91 172.274,92 412.11,93 1.153,94 359,95 -0.711,96 -0.711,97 29.262,98 14.474,99 42.802,100 -1.494,101 -1.494,102 2,103 13.793,104 13.793,105 13.793,106 13.793,107 13.793,108 8.119,109 1.256,110 3.809,111 3.454,112 41.735,113 382.267,114 94.054,115 3.476,116 3.698,117 4.905,118 3.267,119 1.095,120 0.095,121 4.835,122 20690,123 5.528,124 1.341,125 4.905,126 134,127 5.361,128 211.329,129 3.06,130 4.612,131 14.704,132 120.908,133 0.75,134 4,135 3.965,136 17.225,137 25,138 3.367,139 3.367,140 5.4}
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{0 CHEMBL1970217,3 3.495,4 3.317,5 3.556,6 3.311,7 8.541,8 3.301,9 3.528,10 0.821,11 78.079,12 12.58,13 6.24,14 1.49,15 3,16 3.494,17 159.521,18 3.236,19 3.007,20 5.075,21 3.482,22 0.854,23 2.859,24 207.697,25 5,26 1.186,27 0.524,28 4.485,29 30.74,30 67.863,31 67.863,32 0.297,33 1.315,34 15.321,35 15.192,36 -0.546,37 3.532,38 0.935,39 2.637,40 5.832,41 5.832,42 3.436,43 -0.463,44 -0.463,45 12.58,46 4.628,47 18.31,48 356.266,49 1.404,50 3.993,51 1.563,52 528.89,53 -0.453,54 1.113,55 3.387,56 161.148,57 1.4,58 41.711,59 2.078,60 2.078,61 215.284,62 10.992,63 118.211,64 1.414,65 1.414,66 1.686,67 10.37,68 15.75,69 3.445,70 41.246,71 10.992,72 4.42,73 1.331,74 17.577,75 17.577,76 17.577,77 17.577,78 17.577,79 17.858,80 1.515,81 -0.219,82 -0.219,83 13082,84 3.984,85 1000,86 42.515,87 3.529,88 8.071,89 3.555,90 3.823,91 191.929,92 460.066,93 1.179,94 344,95 -1.129,96 -1.129,97 32.534,98 14.043,99 42.969,100 -1.382,101 -1.382,102 1.583,103 13.721,104 13.721,105 13.721,106 13.721,107 13.721,108 8.45,109 1.109,110 3.832,111 3.386,112 41.15,113 367.945,114 103.05,115 3.68,116 3.856,117 4.871,118 3.303,119 1,121 4.805,122 21258,123 5.861,124 1.221,125 4.89,126 132,127 5.342,128 241.814,129 3.068,130 4.673,131 14.547,132 129.158,133 1,134 6,135 3.94,136 18.518,137 26,138 3.367,139 3.367,140 5.4}
{0 CHEMBL1970290,3 3.749,4 3.555,5 3.822,6 3.551,7 13.466,8 3.656,9 4.47,10 2.307,11 116.119,12 18.689,13 10.516,14 1.77,15 3.415,16 3.89,17 260.097,18 3.594,19 3.422,20 5.4,21 3.897,22 2.343,23 3.431,24 377.396,25 10,26 1.521,27 1.903,28 4.304,29 46.987,30 112.031,31 112.031,32 1.278,33 1.638,34 23.255,35 23.415,36 1.268,37 4.291,38 1.481,39 3.589,40 6.952,41 6.952,42 4.379,43 0.896,44 0.896,45 18.689,46 5.198,47 27.797,48 541.453,49 1.671,50 4.432,51 1.725,52 803.02,53 0.896,54 1.474,55 4.261,56 252.643,57 1.632,58 63.104,59 2.443,60 2.443,61 331.41,62 17.212,63 193.376,64 2.09,65 2.09,66 1.797,67 15.231,68 24.5,69 4.337,70 62.347,71 17.212,72 6.718,73 1.585,74 26.004,75 26.004,76 26.004,77 26.004,78 26.004,79 26.423,80 1.734,81 2.804,82 2.804,83 35065,84 4.382,85 3519,86 64.743,87 3.929,88 9.284,89 4.359,90 4.77,91 292.189,92 704.701,93 1.458,94 518,95 2.34,96 2.34,97 50.126,98 21.189,99 64.742,100 2.05,101 2.05,102 2.667,103 20.62,104 20.62,105 20.62,106 20.62,107 20.62,108 13.317,109 1.618,110 4.256,111 3.612,112 62.342,113 551.018,114 155.843,115 4.429,116 4.392,117 5.27,118 3.693,119 1.095,120 0.095,121 7.068,122 53450,123 8.639,124 2.595,125 5.313,126 202,127 5.771,128 398.994,129 3.373,130 5.252,131 22.423,132 219.299,133 0.75,134 10,135 6.04,136 27.993,137 39,138 3.761,139 3.761,140 5.4}
{0 CHEMBL1970314,3 3.299,4 3.132,5 3.351,6 3.106,7 6.195,8 3.127,9 2.867,10 0.388,11 59.496,12 9.648,13 4.589,14 1.284,15 2.813,16 3.216,17 99.181,18 3.024,19 2.815,20 4.42,21 3.225,22 0.525,23 2.805,24 155.417,25 2,26 0.984,27 0.053,28 4.014,29 22.413,30 49.604,31 49.604,32 -0.555,33 1.016,34 11.314,35 10.706,36 -1.328,37 3.319,38 -0.306,39 2,40 4.148,41 4.148,42 2.749,43 -1,44 -1,45 9.648,46 4.248,47 13.741,48 298.791,49 1.056,50 3.615,51 1.273,52 448.8,53 -0.976,54 0.901,55 2.731,56 130.325,57 1.174,58 33.636,59 1.536,60 1.536,61 132.465,62 8.88,63 86.439,64 1.325,65 1.325,66 1.624,67 7.929,68 12.25,69 3.073,70 33.182,71 8.88,72 3.19,73 0.98,74 13.43,75 13.43,76 13.43,77 13.43,78 13.43,79 13.489,80 1.293,81 -2,82 -2,83 5783,84 3.738,85 434,86 33.909,87 3.232,88 7.371,89 3.141,90 3.159,91 140.1,92 333.605,93 0.834,94 291,95 -2.202,96 -2.202,97 23.279,98 10.976,99 34.25,100 -2.618,101 -2.618,102 0.902,103 10.877,104 10.877,105 10.877,106 10.877,107 10.877,108 6.145,109 0.14,110 3.574,111 3.223,112 33.199,113 309.307,114 78.397,115 3.24,116 3.474,117 4.694,118 3.059,119 1.125,120 0.125,121 3.768,122 9785,123 4.361,124 0.639,125 4.673,126 106,127 5.13,128 162.465,129 2.505,130 4.296,131 11.252,132 86.436,133 0.667,134 3,135 3.144,136 14.113,137 20,138 3.135,139 3.135,140 5.4}
{0 CHEMBL1970317,3 3.79,4 3.66,5 3.834,6 3.655,7 10.944,8 3.475,9 3.892,10 2.151,11 104.541,12 16.035,13 8.36,14 1.608,15 3.198,16 3.68,17 202.648,18 3.43,19 3.222,20 5.393,21 3.827,22 2.261,23 3.465,24 311.168,25 4,26 1.427,27 1.673,28 4.825,29 36.101,30 90.163,31 90.163,32 1,33 1.35,34 18.956,35 18.358,36 1.155,37 4.054,38 1.094,39 3.479,40 7.076,41 7.076,42 3.789,43 0.806,44 0.806,45 15.974,46 4.979,47 22.81,48 556.296,49 1.521,50 4.146,51 1.531,52 839.59,53 0.686,54 1.368,55 3.786,56 250.887,57 1.458,58 56.593,59 2.4,60 2.4,61 250.913,62 14.765,63 162.465,64 2.089,65 2.089,66 1.748,67 13.003,68 21.5,69 3.855,70 55.794,71 14.874,72 6.19,73 1.309,74 22.325,75 22.325,76 22.325,77 22.325,78 22.325,79 22.806,80 1.586,81 2.275,82 2.275,83 28354,84 4.238,85 1957,86 56.979,87 3.698,88 8.757,89 3.87,90 4.469,91 223.055,92 536.013,93 1.28,94 541,95 2.058,96 2.058,97 37.404,98 19.089,99 57.758,100 1.653,101 1.653,102 2.553,103 18.286,104 18.286,105 18.286,106 18.286,107 18.286,108 9.998,109 1.413,110 4.057,111 3.791,112 55.777,113 576.422,114 129.706,115 3.964,116 4.024,117 5.197,118 3.532,119 1.077,120 0.077,121 6.212,122 53129,123 7.083,124 2.5,125 5.198,126 180,127 5.659,128 274.913,129 3.363,130 5.013,131 18.852,132 177.318,133 0.8,134 6,135 5.278,136 22.432,137 33,138 3.638,139 3.638,140 5.7}
{0 CHEMBL1970340,3 3.027,4 2.905,5 3.057,6 2.901,7 5.188,8 2.967,9 1.695,10 -0.291,11 51.753,12 8.254,13 3.797,14 1.142,15 2.746,16 3.041,17 85.079,18 2.923,19 2.747,20 4.363,21 3.111,22 -0.078,23 2.6,24 125.306,25 1,26 0.883,27 -0.441,28 3.805,29 18.58,30 43.057,31 43.057,32 -1.156,33 0.801,34 9.654,35 8.921,36 -1.844,37 2.99,38 -0.94,39 1.825,40 3.961,41 3.961,42 1.482,43 -1.376,44 -1.376,45 8.254,46 4.023,47 11.617,48 293.898,49 1.04,50 3.28,51 1.128,52 428.52,53 -1.293,54 0.839,55 0.879,56 118.7,57 0.945,58 29.188,59 1.474,60 1.474,61 102.73,62 7.519,63 69.487,64 1.112,65 1.112,66 1.576,67 6.781,68 10.75,69 2.607,70 28.82,71 7.519,72 2.682,73 0.792,74 11.569,75 11.569,76 11.569,77 11.569,78 11.569,79 11.669,80 1.131,81 -3.198,82 -3.198,83 3888,84 3.586,85 293,86 28.704,87 3.033,88 6.9,89 2.465,90 2.915,91 114.38,92 270.847,93 0.83,94 278,95 -3.407,96 -3.407,97 18.966,98 9.551,99 29.995,100 -4.75,101 -4.75,102 0.553,103 9.382,104 9.382,105 9.382,106 9.382,107 9.382,108 5.124,109 -0.356,110 3.4,111 2.949,112 28.891,113 295.139,114 65.672,115 2.54,116 3.057,117 4.543,118 2.911,119 1.133,120 0.133,121 3.2,122 6781,123 3.694,124 0.179,125 4.533,126 92,127 4.99,128 122.382,129 2.46,130 4.065,131 9.56,132 68.232,133 0.667,134 5,135 2.679,136 11.828,137 17,138 2.996,139 2.996,140 5.4}
{0 CHEMBL1970352,1 1,3 3.513,4 3.294,5 3.57,6 3.35,7 9.792,8 3.376,9 4.023,10 0.979,11 94.275,12 13.89,13 7.576,14 1.594,15 3.287,16 3.537,17 161.32,18 3.337,19 3.212,20 5.225,21 3.783,22 1.238,23 3.13,24 255.343,25 4,26 1.457,27 0.833,28 4.424,29 31.224,30 69.212,31 69.212,32 0.506,33 1.247,34 15.662,35 17.15,36 -0.147,37 4.347,38 1,39 3.09,40 6.22,41 6.22,42 3.748,43 -0.119,44 -0.119,45 13.024,46 4.668,47 19.055,48 430.656,49 1.326,50 4.208,51 1.627,52 672.69,53 -0.112,54 1.388,55 4.297,56 240.638,57 1.421,58 46.103,59 2.069,60 2.069,61 199.094,62 13.091,63 124.382,64 1.76,65 1.76,66 1.713,67 10.639,68 16.75,69 4.449,70 45.543,71 11.866,72 5.468,73 1.24,74 18.267,75 18.267,76 18.267,77 18.267,78 18.267,79 18.817,80 1.61,81 -0.018,82 -0.018,83 12391,84 4.035,85 1034,86 47.218,87 3.594,88 8.267,89 4.025,90 3.61,91 199.322,92 478.106,93 1.119,94 427,95 -0.294,96 -0.294,97 33.881,98 15.645,99 48.803,100 -0.951,101 -0.951,102 2.075,103 14.749,104 14.749,105 14.749,106 14.749,107 14.749,108 8.695,109 1.186,110 3.927,111 3.644,112 45.879,113 451.09,114 113.488,115 4.213,116 4.269,117 4.999,118 3.342,119 1.211,120 0.211,121 4.937,122 21949,123 5.944,124 1.297,125 5.004,126 148,127 5.468,128 221.624,129 3.014,130 4.721,131 15.841,132 128.7,133 0.5,134 7,135 4.328,136 20.629,137 27,138 3.434,139 3.434,140 5.6}
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{0 CHEMBL1973138,1 2,3 3.781,4 3.646,5 3.825,6 3.629,7 14.337,8 3.757,9 4.385,10 2.5,11 128.279,12 20.507,13 11.78,14 1.848,15 3.514,16 3.976,17 301.144,18 3.709,19 3.529,20 6.043,21 4.004,22 2.612,23 3.635,24 436.93,25 7,26 1.653,27 2.139,28 4.971,29 50.395,30 120.421,31 120.421,32 1.743,33 1.493,34 25.517,35 25.231,36 1.58,37 4.378,38 1.908,39 3.897,40 8.639,41 8.639,42 4.296,43 1.12,44 1.12,45 20.507,46 5.336,47 30.401,48 627.151,49 1.764,50 4.571,51 1.84,52 936.77,53 1.133,54 1.601,55 4.207,56 292.153,57 1.682,58 72.816,59 2.743,60 2.743,61 397.676,62 19.506,63 220.574,64 2.283,65 2.283,66 1.815,67 16.284,68 27.75,69 4.341,70 71.25,71 19.506,72 7.661,73 1.477,74 28.333,75 28.333,76 28.333,77 28.333,78 28.333,79 28.806,80 1.841,81 3.186,82 3.186,83 51965,84 4.484,85 4409,86 75.21,87 4,88 9.532,89 4.385,90 5.132,91 308.916,92 745.515,93 1.612,94 600,95 3.115,96 3.115,97 53.029,98 23.801,99 73.366,100 2.275,101 2.275,102 2.859,103 23.12,104 23.12,105 23.12,106 23.12,107 23.12,108 14.147,109 2.158,110 4.365,111 3.721,112 71.278,113 642.19,114 169.844,115 4.46,116 4.519,117 5.4,118 3.787,119 1,121 7.69,122 85699,123 9.222,124 2.69,125 5.442,126 230,127 5.905,128 428.96,129 3.748,130 5.392,131 24.96,132 251.569,133 1,134 10,135 6.848,136 30.725,137 43,138 3.871,139 3.871,140 5.4}
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{0 CHEMBL1973145,1 1,2 1,3 3.451,4 3.239,5 3.503,6 3.206,7 9.427,8 3.374,9 3.573,10 1.092,11 88.276,12 13.945,13 7.181,14 1.442,15 3.134,16 3.527,17 171.29,18 3.317,19 3.139,20 5.063,21 3.662,22 1.184,23 3.333,24 240.372,25 3,26 1.266,27 0.778,28 4.447,29 31.191,30 77.077,31 77.077,32 0.638,33 1.293,34 15.938,35 15.878,36 -0.258,37 3.657,38 0.842,39 2.964,40 5.934,41 5.934,42 3.462,43 -0.2,44 -0.2,45 13.491,46 4.736,47 19.353,48 449.867,49 1.379,50 3.91,51 1.423,52 692.7,53 -0.191,54 1.217,55 3.469,56 207.03,57 1.376,58 47.035,59 2.16,60 2.16,61 204.574,62 13.179,63 125.851,64 1.969,65 1.969,66 1.704,67 10.974,68 18.25,69 3.508,70 46.446,71 12.628,72 5.081,73 1.261,74 18.756,75 18.756,76 18.756,77 18.756,78 18.756,79 19.21,80 1.467,81 0.238,82 0.238,83 17682,84 4.07,85 1116,86 47.586,87 3.555,88 8.275,89 3.514,90 4.045,91 196.735,92 471.794,93 1.139,94 446,95 -0.509,96 -0.509,97 32.705,98 16.072,99 48.139,100 -0.816,101 -0.816,102 2.247,103 15.331,104 15.331,105 15.331,106 15.331,107 15.331,108 8.528,109 1.24,110 3.883,111 3.489,112 46.39,113 475.24,114 114.23,115 3.59,116 3.721,117 5.014,118 3.374,119 1.095,120 0.095,121 5.258,122 31423,123 6.028,124 1.342,125 5.017,126 150,127 5.476,128 230.574,129 3.125,130 4.779,131 15.787,132 142.903,133 0.75,134 7,135 4.388,136 20.027,137 28,138 3.466,139 3.466,140 5.4}
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{0 CHEMBL1977346,3 3.06,4 2.891,5 3.132,6 2.896,7 6.024,8 2.852,9 2.369,10 -0.31,11 65.293,12 9.103,13 4.659,14 0.98,15 2.765,16 3.002,17 78.82,18 2.798,19 2.662,20 4.227,21 3.462,22 -0.049,23 2.529,24 126.608,26 0.805,27 -0.54,28 3.768,29 18.171,30 44.334,31 44.334,32 -0.86,33 0.533,34 9.897,35 10.725,36 -1.85,37 3.528,38 -0.84,39 1.719,40 3.723,41 3.723,42 1.768,43 -1.367,44 -1.367,45 8.237,46 4.023,47 11.667,48 305.915,49 0.818,50 3.23,51 0.976,52 472.31,53 -1.19,54 0.759,55 3.186,56 168.716,57 0.956,58 28.767,59 1.446,60 1.446,61 90.429,62 8.82,63 69.487,64 1,65 1,66 1.576,67 6.759,68 11.25,69 3.267,70 28.357,71 7.595,72 2.964,73 0.535,74 11.516,75 11.516,76 11.516,77 11.516,78 11.516,79 11.914,80 1.001,81 -2.691,82 -2.691,83 4181,84 3.59,85 199,86 29.821,87 3.045,88 6.903,89 2.243,90 2.882,91 122.372,92 290.349,93 0.527,94 304,95 -3.622,96 -3.622,97 19.659,98 10.116,99 29.325,100 -4.671,101 -4.671,102 0.47,103 9.393,104 9.393,105 9.393,106 9.393,107 9.393,108 4.936,109 -0.056,110 3.363,111 3.196,112 28.636,113 323.22,114 72.832,115 2.578,116 3.013,117 4.522,118 2.911,119 1.267,120 0.267,121 3.233,122 7973,123 3.667,124 0.349,125 4.533,126 92,127 4.99,128 102.039,129 2.435,130 4.065,131 9.503,132 67.771,133 0.333,134 2,135 2.69,136 13.328,137 17,138 2.996,139 2.996,140 5.4}
{0 CHEMBL1977374,1 3,3 3.576,4 3.444,5 3.642,6 3.459,7 9.302,8 3.392,9 3.832,10 1.252,11 85.681,12 12.72,13 7.306,14 1.685,15 3.187,16 3.519,17 170.759,18 3.33,19 3.188,20 5.512,21 3.639,22 1.438,23 3.062,24 271.031,25 3,26 1.457,27 1.175,28 4.717,29 30.583,30 75.077,31 75.077,32 0.611,33 1.308,34 16.517,35 15.525,36 0.266,37 4.055,38 0.987,39 3.324,40 6.82,41 6.82,42 3.767,43 0.222,44 0.222,45 13.525,46 4.733,47 19.667,48 523.337,49 1.384,50 3.977,51 1.591,52 761.53,53 0.21,54 1.394,55 3.794,56 219.916,57 1.497,58 49.94,59 2.251,60 2.251,61 216.964,62 11.712,63 132.606,64 1.708,65 1.708,66 1.718,67 10.767,68 19,69 3.978,70 49.612,71 12.873,72 5.061,73 1.321,74 18.947,75 18.947,76 18.947,77 18.947,78 18.947,79 19.373,80 1.662,81 1.388,82 1.388,83 14609,84 4.083,85 1224,86 50.382,87 3.512,88 8.353,89 3.94,90 3.838,91 182.466,92 436.977,93 1.216,94 484,95 0.619,96 0.619,97 31.239,98 16.579,99 51.698,100 -0.116,101 -0.116,102 2.13,103 15.792,104 15.792,105 15.792,106 15.792,107 15.792,108 9.147,109 1.384,110 3.924,111 3.434,112 49.766,113 511.229,114 102.338,115 4.002,116 4.037,117 5.045,118 3.376,119 1.174,120 0.174,121 5.082,122 26192,123 5.917,124 1.941,125 5.081,126 160,127 5.549,128 230.574,129 3.207,130 4.78,131 16.841,132 136.75,133 0.6,134 11,135 4.692,136 17.673,137 28,138 3.497,139 3.497,140 5.7}
{0 CHEMBL1977634,3 3.626,4 3.479,5 3.668,6 3.464,7 11.088,8 3.599,9 4.191,10 2.138,11 104.063,12 16.63,13 9.135,14 1.719,15 3.372,16 3.746,17 221.417,18 3.567,19 3.379,20 5.435,21 3.79,22 2.399,23 3.39,24 333.236,25 8,26 1.463,27 1.933,28 4.393,29 39.74,30 95.182,31 95.182,32 1.266,33 1.384,34 20.008,35 19.74,36 1.335,37 4.175,38 1.458,39 3.527,40 7.15,41 7.15,42 4.121,43 0.935,44 0.935,45 16.63,46 5.033,47 24.149,48 547.333,49 1.587,50 4.213,51 1.641,52 808.63,53 0.928,54 1.422,55 4.075,56 236.598,57 1.529,58 59.091,59 2.505,60 2.505,61 267.961,62 16.086,63 168.77,64 2.011,65 2.011,66 1.771,67 13.285,68 21.75,69 4.134,70 57.931,71 16.086,72 5.422,73 1.424,74 22.902,75 22.902,76 22.902,77 22.902,78 22.902,79 23.101,80 1.69,81 2.319,82 2.319,83 28671,84 4.277,85 2507,86 60.883,87 3.758,88 8.973,89 4.139,90 4.416,91 245.296,92 590.282,93 1.413,94 520,95 2.275,96 2.275,97 41.216,98 19.063,99 59.402,100 1.286,101 1.286,102 2.537,103 18.745,104 18.745,105 18.745,106 18.745,107 18.745,108 10.951,109 1.618,110 4.118,111 3.561,112 57.918,113 555.267,114 131.632,115 4.193,116 4.165,117 5.223,118 3.589,119 1.095,120 0.095,121 6.318,122 49701,123 7.5,124 2.5,125 5.231,126 186,127 5.694,128 302.981,129 3.462,130 5.096,131 19.647,132 189.019,133 0.75,134 11,135 5.609,136 25.165,137 35,138 3.664,139 3.664,140 5.4}
{0 CHEMBL1977681,3 3.165,4 2.957,5 3.245,6 2.985,7 6.47,8 2.959,9 2.482,10 -0.019,11 62.208,12 9.2,13 5.018,14 1.298,15 2.733,16 3.129,17 110.907,18 2.902,19 2.735,20 4.279,21 3.338,22 0.145,23 2.674,24 144.566,25 2,26 1.119,27 -0.356,28 4.225,29 20.457,30 54.802,31 54.802,32 -0.777,33 0.913,34 11.106,35 10.845,36 -1.748,37 3.371,38 -0.493,39 2,40 3.779,41 3.779,42 2.46,43 -1.322,44 -1.322,45 9.203,46 4.171,47 12.977,48 337.572,49 1.068,50 3.364,51 1.214,52 519.58,53 -1.189,54 1.04,55 2.671,56 158.559,57 1.202,58 31.931,59 1.414,60 1.414,61 122.517,62 8.322,63 80.711,64 1.206,65 1.206,66 1.606,67 7.486,68 12,69 2.858,70 31.562,71 8.208,72 3.873,73 0.912,74 12.939,75 12.939,76 12.939,77 12.939,78 12.939,79 13.281,80 1.338,81 -2.785,82 -2.785,83 5772,84 3.686,85 390,86 33.246,87 3.156,88 7.198,89 2.734,90 3.101,91 129.507,92 307.757,93 0.861,94 331,95 -3.451,96 -3.451,97 21.102,98 10.82,99 33.812,100 -3.46,101 -3.46,102 0.627,103 10.281,104 10.281,105 10.281,106 10.281,107 10.281,108 5.63,109 0.423,110 3.496,111 3.217,112 31.654,113 351.754,114 73.567,115 2.824,116 3.186,117 4.642,118 3.012,119 1.143,120 0.143,121 3.449,122 10678,123 4.222,124 0.364,125 4.635,126 102,127 5.094,128 134.127,129 2.381,130 4.218,131 10.641,132 80.999,133 0.667,134 2,135 3.066,136 12.889,137 19,138 3.091,139 3.091,140 6.4}
{0 CHEMBL1977749,3 3.397,4 3.282,5 3.443,6 3.288,7 6.734,8 3.093,9 3.283,10 0.5,11 64.061,12 10.33,13 4.749,14 1.234,15 2.87,16 3.281,17 115.098,18 3.063,19 2.883,20 4.522,21 3.284,22 0.617,23 2.649,24 165.096,25 3,26 0.981,27 0.188,28 4.038,29 24.139,30 50.455,31 50.455,32 -0.362,33 1.107,34 12.561,35 11.49,36 -1.112,37 3.454,38 -0.118,39 2.288,40 4.548,41 4.548,42 3.097,43 -0.797,44 -0.797,45 10.33,46 4.338,47 14.633,48 317.496,49 1.092,50 3.712,51 1.247,52 466.24,53 -0.782,54 0.938,55 2.779,56 135.922,57 1.349,58 34.337,59 1.618,60 1.618,61 145.362,62 8.605,63 88.239,64 1.128,65 1.128,66 1.64,67 8.937,68 12.5,69 3.226,70 33.573,71 8.605,72 3.383,73 1.062,74 14.723,75 14.723,76 14.723,77 14.723,78 14.723,79 14.893,80 1.202,81 -1.478,82 -1.478,83 6345,84 3.789,85 504,86 36.353,87 3.308,88 7.517,89 3.4,90 3.271,91 149.693,92 357.01,93 0.886,94 303,95 -1.854,96 -1.854,97 25.245,98 11.54,99 35.043,100 -2.218,101 -2.218,102 0.881,103 11.29,104 11.29,105 11.29,106 11.29,107 11.29,108 6.679,109 1,110 3.618,111 3.281,112 33.589,113 321.653,114 84.741,115 3.517,116 3.644,117 4.7,118 3.105,119 1.125,120 0.125,121 4.07,122 10270,123 4.861,124 0.756,125 4.691,126 108,127 5.142,128 165.362,129 2.581,130 4.362,131 11.815,132 92.608,133 0.667,134 7,135 3.211,136 14.656,137 21,138 3.178,139 3.178,140 6.2}
{0 CHEMBL1977814,1 1,3 3.255,4 3.043,5 3.335,6 3.028,7 7.585,8 3.225,9 3.581,10 0.054,11 68.647,12 10.685,13 6.319,14 1.347,15 2.994,16 3.302,17 140.764,18 3.179,19 2.991,20 4.949,21 3.43,22 0.561,23 2.933,24 185.658,25 3,26 1.085,27 0.21,28 4.478,29 25.536,30 67.064,31 67.064,32 -0.24,33 1.275,34 12.792,35 13.809,36 -1,37 3.753,38 0.23,39 2.343,40 5.241,41 5.241,42 3.293,43 -0.793,44 -0.793,45 10.397,46 4.344,47 15.452,48 371.927,49 1.282,50 3.806,51 1.417,52 564.21,53 -0.785,54 1.023,55 2.999,56 171.478,57 1.4,58 37.594,59 2.157,60 2.157,61 179.103,62 10.493,63 92.107,64 1.618,65 1.618,66 1.657,67 8.111,68 14.25,69 3.612,70 36.976,71 10.085,72 3.805,73 1.239,74 14.276,75 14.276,76 14.276,77 14.276,78 14.276,79 14.587,80 1.357,81 -1.656,82 -1.656,83 6895,84 3.819,85 574,86 40.285,87 3.325,88 7.669,89 3.642,90 3.163,91 161.212,92 385.116,93 0.979,94 357,95 -2,96 -2,97 26.875,98 12.375,99 39.782,100 -2.228,101 -2.228,102 0.697,103 11.806,104 11.806,105 11.806,106 11.806,107 11.806,108 7.127,109 0.838,110 3.69,111 3.374,112 37.126,113 380.715,114 86.555,115 3.82,116 3.884,117 4.734,118 3.149,119 1.308,120 0.308,121 3.837,122 11165,123 4.722,124 0.644,125 4.796,126 120,127 5.263,128 183.858,129 3.073,130 4.428,131 12.658,132 97.28,133 0.333,134 10,135 3.482,136 16.516,137 22,138 3.219,139 3.219,140 5.4}
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{0 CHEMBL1978200,1 2,2 1,3 3.715,4 3.571,5 3.766,6 3.566,7 9.816,8 3.423,9 3.976,10 1.094,11 93.305,12 13.922,13 7.894,14 1.565,15 3.168,16 3.598,17 209.823,18 3.35,19 3.183,20 5.429,21 3.703,22 1.361,23 3.192,24 292.439,25 6,26 1.343,27 0.972,28 5.006,29 34.351,30 89.855,31 89.855,32 0.817,33 1.314,34 17.68,35 17.395,36 0.063,37 4.243,38 1.126,39 3.444,40 7.054,41 7.054,42 3.895,43 0.05,44 0.05,45 14.726,46 4.859,47 21.334,48 533.824,49 1.474,50 4.097,51 1.61,52 775.04,53 0.046,54 1.285,55 3.911,56 219.691,57 1.643,58 52.4,59 2.38,60 2.38,61 265.315,62 13.356,63 151.58,64 1.812,65 1.812,66 1.743,67 11.706,68 21,69 4.156,70 51.528,71 14.518,72 4.823,73 1.316,74 20.309,75 20.309,76 20.309,77 20.309,78 20.309,79 20.883,80 1.58,81 1.965,82 1.965,83 20058,84 4.163,85 1788,86 52.321,87 3.59,88 8.634,89 4.079,90 4.031,91 210.113,92 504.435,93 1.25,94 496,95 0.124,96 0.124,97 35.216,98 17.811,99 53.427,100 -0.169,101 -0.169,102 2.216,103 16.798,104 16.798,105 16.798,106 16.798,107 16.798,108 9.644,109 1.414,110 3.971,111 3.6,112 51.61,113 527.87,114 113.817,115 4.103,116 4.125,117 5.091,118 3.473,119 1.095,120 0.095,121 5.567,122 35531,123 6.569,124 2.174,125 5.13,126 168,127 5.595,128 277.315,129 3.312,130 4.919,131 17.463,132 158.767,133 0.75,134 7,135 5.052,136 20.433,137 31,138 3.555,139 3.555,140 6.9}
{0 CHEMBL1978271,3 3.655,4 3.443,5 3.709,6 3.428,7 12.496,8 3.644,9 4.378,10 2.308,11 114.622,12 18.257,13 9.825,14 1.758,15 3.403,16 3.837,17 258.841,18 3.587,19 3.41,20 5.4,21 3.879,22 2.343,23 3.31,24 363.067,25 10,26 1.517,27 1.982,28 4.592,29 44.341,30 109.676,31 109.676,32 1.278,33 1.602,34 22.644,35 21.823,36 1.268,37 4.264,38 1.481,39 3.589,40 6.951,41 6.951,42 4.301,43 1,44 1,45 18.257,46 5.168,47 26.619,48 548.492,49 1.661,50 4.311,51 1.677,52 810.24,53 0.971,54 1.471,55 4.237,56 246.27,57 1.523,58 61.606,59 2.382,60 2.382,61 326.064,62 16.801,63 192.666,64 1.878,65 1.878,66 1.791,67 15.304,68 24,69 4.295,70 60.855,71 16.801,72 5.878,73 1.586,74 25.394,75 25.394,76 25.394,77 25.394,78 25.394,79 25.824,80 1.723,81 2.757,82 2.757,83 35724,84 4.359,85 3310,86 63.691,87 3.855,88 9.206,89 4.296,90 4.744,91 274.202,92 660.814,93 1.446,94 522,95 2.339,96 2.339,97 46.506,98 20.935,99 62.459,100 2.052,101 2.052,102 2.667,103 20.264,104 20.264,105 20.264,106 20.264,107 20.264,108 12.318,109 1.69,110 4.198,111 3.524,112 60.805,113 556.071,114 145.663,115 4.355,116 4.311,117 5.244,118 3.668,119 1.095,120 0.095,121 7.284,122 59715,123 8.389,124 2.577,125 5.283,126 196,127 5.74,128 376.593,129 3.359,130 5.211,131 21.409,132 212.086,133 0.75,134 10,135 5.922,136 27.123,137 38,138 3.738,139 3.738,140 6.5}
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{0 CHEMBL1980144,1 1,3 3.477,4 3.261,5 3.526,6 3.216,7 9.917,8 3.413,9 3.741,10 1.391,11 95.166,12 14.962,13 7.372,14 1.533,15 3.131,16 3.571,17 180.985,18 3.37,19 3.164,20 5.213,21 3.724,22 1.504,23 3.293,24 258.932,25 4,26 1.27,27 1.203,28 4.478,29 32.906,30 83.271,31 83.271,32 0.824,33 1.285,34 17.247,35 16.787,36 0.291,37 3.766,38 1,39 3.303,40 6.464,41 6.464,42 3.642,43 0.245,44 0.245,45 14.508,46 4.839,47 20.571,48 489.208,49 1.418,50 3.855,51 1.48,52 746.19,53 0.233,54 1.226,55 3.621,56 219.022,57 1.467,58 49.664,59 2.214,60 2.214,61 214.959,62 13.736,63 138.452,64 1.901,65 1.901,66 1.721,67 11.91,68 19.75,69 3.748,70 49.123,71 13.185,72 5.324,73 1.289,74 20.223,75 20.223,76 20.223,77 20.223,78 20.223,79 20.681,80 1.51,81 1.746,82 1.746,83 22568,84 4.135,85 1456,86 51.218,87 3.59,88 8.473,89 3.701,90 4.251,91 207.396,92 497.807,93 1.207,94 481,95 0.604,96 0.604,97 34.159,98 17.006,99 51.084,100 0.072,101 0.072,102 2.5,103 16.282,104 16.282,105 16.282,106 16.282,107 16.282,108 8.995,109 1.472,110 3.918,111 3.447,112 49.09,113 513.038,114 117.735,115 3.804,116 3.753,117 5.072,118 3.44,119 1.095,120 0.095,121 5.655,122 41314,123 6.556,124 2.154,125 5.069,126 158,127 5.525,128 237.714,129 3.198,130 4.881,131 16.599,132 157.731,133 0.75,134 8,135 4.734,136 21.441,137 30,138 3.526,139 3.526,140 5.4}
{0 CHEMBL1980163,1 1,3 3.412,4 3.256,5 3.473,6 3.238,7 8.119,8 3.284,9 3.393,10 0.882,11 76.518,12 12.382,13 5.663,14 1.423,15 3.045,16 3.447,17 121.069,18 3.237,19 3.053,20 4.96,21 3.469,22 1.043,23 2.916,24 200.168,25 5,26 1.189,27 0.62,28 3.78,29 28.467,30 59.997,31 59.997,32 0.317,33 1.107,34 14.807,35 13.593,36 -0.423,37 3.475,38 0.928,39 2.818,40 5.662,41 5.662,42 3.258,43 -0.327,44 -0.327,45 12.382,46 4.619,47 17.685,48 367.638,49 1.225,50 3.714,51 1.443,52 545.61,53 -0.308,54 1.141,55 3.118,56 159.483,57 1.299,58 40.963,59 1.912,60 1.912,61 158.762,62 10.603,63 108.096,64 1.493,65 1.493,66 1.673,67 10.757,68 16,69 3.366,70 40.918,71 10.603,72 3.908,73 1.062,74 17.568,75 17.568,76 17.568,77 17.568,78 17.568,79 17.873,80 1.427,81 0.275,82 0.275,83 12604,84 3.975,85 903,86 41.271,87 3.465,88 7.941,89 3.52,90 3.966,91 174.814,92 418.306,93 1.015,94 355,95 -0.786,96 -0.786,97 29.801,98 14.383,99 41.19,100 -1.478,101 -1.478,102 1.903,103 13.881,104 13.881,105 13.881,106 13.881,107 13.881,108 8.037,109 1,110 3.775,111 3.335,112 40.888,113 376.465,114 98.708,115 3.64,116 3.701,117 4.881,118 3.266,119 1.091,120 0.091,121 5.165,122 21205,123 5.556,124 1.412,125 4.875,126 130,127 5.323,128 198.868,129 2.866,130 4.615,131 14.255,132 123.246,133 0.75,134 7,135 3.817,136 16.899,137 25,138 3.367,139 3.367,140 5.4}
{0 CHEMBL1980167,1 3,2 1,3 3.749,4 3.591,5 3.794,6 3.594,7 11.906,8 3.609,9 4.237,10 2.356,11 113.054,12 17.44,13 9.564,14 1.658,15 3.483,16 3.715,17 199.244,18 3.612,19 3.444,20 5.861,21 3.962,22 2.5,23 3.566,24 334.216,25 7,26 1.446,27 2,28 4.024,29 38.389,30 100.818,31 100.818,32 1,33 1.462,34 19.514,35 19.729,36 1.5,37 4.278,38 1.106,39 3.414,40 7.988,41 7.988,42 4.183,43 1,44 1,45 16.619,46 5.033,47 23.836,48 593.06,49 1.645,50 4.158,51 1.638,52 916.52,53 1,54 1.457,55 4.266,56 281.765,57 1.608,58 58.251,59 2.525,60 2.525,61 229.349,62 17.381,63 161.525,64 2.186,65 2.186,66 1.774,67 13.098,68 22.5,69 4.315,70 57.625,71 16.081,72 6.54,73 1.502,74 22.85,75 22.85,76 22.85,77 22.85,78 22.85,79 23.322,80 1.684,81 2.275,82 2.275,83 29916,84 4.277,85 2420,86 60.085,87 3.736,88 8.99,89 4.143,90 4.4,91 241.239,92 580.382,93 1.373,94 592,95 2.275,96 2.275,97 39.591,98 19.506,99 59.629,100 2.275,101 2.275,102 2.5,103 18.716,104 18.716,105 18.716,106 18.716,107 18.716,108 10.389,109 1.589,110 4.081,111 3.728,112 57.757,113 636.536,114 137.263,115 4.179,116 4.119,117 5.252,118 3.589,119 1,121 6.197,122 55106,123 7.486,124 2.5,125 5.231,126 186,127 5.694,128 261.455,129 3.491,130 5.095,131 19.423,132 188.115,133 1,134 16,135 5.985,136 25.415,137 35,138 3.664,139 3.664,140 5.4}
{0 CHEMBL1980246,1 3,2 1,3 3.313,4 3.098,5 3.413,6 3.096,7 6.795,8 3.121,9 3.218,10 0.5,11 67.206,12 10.758,13 4.671,14 1.252,15 2.851,16 3.267,17 128.711,18 3.061,19 2.867,20 4.369,21 3.338,22 0.586,23 2.739,24 166.665,25 4,26 0.976,27 0.16,28 4.27,29 24.456,30 58.537,31 58.537,32 -0.506,33 1.05,34 12.974,35 11.769,36 -1.068,37 3.337,38 -0.079,39 2.275,40 4.292,41 4.292,42 3.147,43 -0.816,44 -0.816,45 10.758,46 4.407,47 15.101,48 338.453,49 1.062,50 3.5,51 1.181,52 500.76,53 -0.79,54 0.924,55 3.08,56 139.32,57 1.19,58 35.147,59 1.716,60 1.716,61 157.995,62 9.251,63 94.107,64 1.271,65 1.271,66 1.643,67 9.123,68 14.5,69 3.254,70 35.028,71 9.251,72 3.159,73 1.032,74 15.162,75 15.162,76 15.162,77 15.162,78 15.162,79 15.459,80 1.223,81 -1.261,82 -1.261,83 8485,84 3.831,85 632,86 35.345,87 3.264,88 7.605,89 3.228,90 3.5,91 153.689,92 366.761,93 0.886,94 325,95 -2.088,96 -2.088,97 25.29,98 12.326,99 36.023,100 -2.347,101 -2.347,102 0.963,103 11.809,104 11.809,105 11.809,106 11.809,107 11.809,108 6.702,109 0.778,110 3.586,111 3.159,112 35.037,113 345.572,114 83.45,115 3.293,116 3.398,117 4.714,118 3.146,119 1,121 4.275,122 14545,123 4.972,124 0.846,125 4.727,126 112,127 5.176,128 177.995,129 2.679,130 4.433,131 11.928,132 101.722,133 1,134 9,135 3.344,136 15.364,137 22,138 3.219,139 3.219,140 5.4}
{0 CHEMBL1980297,3 3.801,4 3.676,5 3.841,6 3.671,7 11.629,8 3.485,9 4.027,10 2.156,11 111.392,12 17.073,13 8.673,14 1.609,15 3.251,16 3.733,17 228.192,18 3.441,19 3.254,20 5.416,21 3.881,22 2.303,23 3.465,24 334.013,25 6,26 1.452,27 1.915,28 5.008,29 38.343,30 99.367,31 99.367,32 1.091,33 1.353,34 20.586,35 19.22,36 1.235,37 4.115,38 1.275,39 3.479,40 7.139,41 7.139,42 3.93,43 1,44 1,45 17.012,46 5.067,47 24.144,48 577.164,49 1.522,50 4.213,51 1.54,52 869.24,53 0.905,54 1.426,55 3.996,56 261.439,57 1.522,58 58.945,59 2.426,60 2.426,61 280.457,62 15.315,63 175.525,64 2.09,65 2.09,66 1.763,67 14.111,68 22.75,69 4.004,70 58.251,71 15.424,72 6.447,73 1.387,74 23.903,75 23.903,76 23.903,77 23.903,78 23.903,79 24.435,80 1.588,81 2.275,82 2.275,83 33887,84 4.294,85 2401,86 59.551,87 3.747,88 8.927,89 3.972,90 4.642,91 236.643,92 569.169,93 1.286,94 560,95 2.154,96 2.154,97 39.62,98 20.141,99 60.467,100 1.74,101 1.74,102 2.557,103 19.251,104 19.251,105 19.251,106 19.251,107 19.251,108 10.666,109 1.609,110 4.106,111 3.794,112 58.253,113 594.918,114 135.998,115 4.059,116 4.09,117 5.23,118 3.588,119 1.077,120 0.077,121 6.654,122 64015,123 7.667,124 2.5,125 5.242,126 188,127 5.7,128 304.457,129 3.387,130 5.094,131 19.93,132 192.079,133 0.8,134 6,135 5.602,136 23.847,137 35,138 3.689,139 3.689,140 5.4}
{0 CHEMBL1980329,3 3.412,4 3.299,5 3.434,6 3.288,7 7.308,8 3.056,9 3.115,10 0.537,11 69.238,12 11.204,13 5.445,14 1.499,15 2.825,16 3.365,17 119.412,18 2.994,19 2.832,20 5.034,21 3.387,22 0.832,23 2.849,24 190.198,25 2,26 1.244,27 0.41,28 4.114,29 25.633,30 54.736,31 54.736,32 0.143,33 1.107,34 13.445,35 12.206,36 -0.796,37 3.521,38 0.53,39 2.663,40 5.969,41 5.969,42 3.014,43 -0.599,44 -0.599,45 11.204,46 4.469,47 16.026,48 355.892,49 1.179,50 3.68,51 1.37,52 533.03,53 -0.595,54 1.2,55 2.939,56 157.485,57 1.407,58 39.905,59 2,60 2,61 152.22,62 10.28,63 100.042,64 1.381,65 1.381,66 1.656,67 9.223,68 14.5,69 3.217,70 39.154,71 10.28,72 3.925,73 1.062,74 15.74,75 15.74,76 15.74,77 15.74,78 15.74,79 15.876,80 1.467,81 -0.454,82 -0.454,83 9479,84 3.887,85 656,86 40.296,87 3.376,88 7.726,89 3.323,90 3.611,91 155.758,92 371.811,93 0.991,94 345,95 -1.561,96 -1.561,97 26.489,98 13.074,99 39.799,100 -2.254,101 -2.254,102 1.388,103 12.853,104 12.853,105 12.853,106 12.853,107 12.853,108 7.245,109 0.92,110 3.744,111 3.358,112 39.16,113 364.877,114 89.417,115 3.409,116 3.588,117 4.854,118 3.189,119 1.1,120 0.1,121 4.422,122 16681,123 4.944,124 1.15,125 4.844,126 126,127 5.303,128 178.75,129 3.003,130 4.49,131 13.451,132 107.27,133 0.75,134 2,135 3.702,136 15.811,137 23,138 3.296,139 3.296,140 5.4}
{0 CHEMBL1980391,3 3.303,4 3.117,5 3.356,6 3.099,7 7.995,8 3.234,9 3.39,10 0.708,11 79.36,12 11.958,13 6.037,14 1.522,15 2.92,16 3.396,17 155.601,18 3.14,19 2.928,20 5.211,21 3.549,22 0.996,23 2.933,24 228.8,25 2,26 1.232,27 0.553,28 4.593,29 27.172,30 69.769,31 69.769,32 0.425,33 1.105,34 14.619,35 14.279,36 -0.36,37 4.158,38 0.711,39 2.731,40 6.201,41 6.201,42 3.267,43 -0.291,44 -0.291,45 12.08,46 4.565,47 17.204,48 446.263,49 1.257,50 3.968,51 1.511,52 673.75,53 -0.204,54 1.18,55 3.323,56 195.406,57 1.271,58 42.931,59 2.059,60 2.059,61 179.111,62 10.921,63 116.096,64 1.551,65 1.551,66 1.692,67 9.695,68 16.5,69 4.037,70 42.376,71 11.08,72 4.404,73 1.126,74 16.955,75 16.955,76 16.955,77 16.955,78 16.955,79 17.468,80 1.534,81 -0.027,82 -0.027,83 10586,84 3.964,85 814,86 43.779,87 3.389,88 8.048,89 3.738,90 3.484,91 168.217,92 402.209,93 1.043,94 429,95 -0.66,96 -0.66,97 27.841,98 14.558,99 44.971,100 -1.617,101 -1.617,102 1.417,103 13.737,104 13.737,105 13.737,106 13.737,107 13.737,108 7.517,109 1.225,110 3.773,111 3.305,112 42.561,113 456.786,114 94.81,115 3.794,116 3.967,117 4.907,118 3.269,119 1.2,120 0.2,121 4.502,122 19663,123 5.444,124 1.224,125 4.934,126 138,127 5.398,128 194.621,129 2.99,130 4.617,131 14.158,132 115.77,133 0.5,134 5,135 4.023,136 17.181,137 25,138 3.367,139 3.367,140 5.6}
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{0 CHEMBL1980671,1 1,3 3.091,4 2.865,5 3.194,6 2.843,7 5.034,8 3.003,9 1.63,10 -0.29,11 52.115,12 8.254,13 3.607,14 1.165,15 2.688,16 2.978,17 86.602,18 2.898,19 2.693,20 4.22,21 3.12,22 -0.1,23 2.623,24 127.638,26 0.836,27 -0.479,28 3.931,29 17.875,30 44.019,31 44.019,32 -1.072,33 0.638,34 9.921,35 8.767,36 -1.89,37 2.64,38 -0.818,39 1.718,40 3.735,41 3.735,42 1.334,43 -1.414,44 -1.414,45 8.254,46 4.023,47 11.481,48 298.918,49 0.999,50 3.173,51 1.133,52 444.04,53 -1.325,54 0.764,55 0.662,56 121.014,57 0.92,58 28.615,59 1.436,60 1.436,61 102.211,62 7.499,63 69.487,64 1.117,65 1.117,66 1.578,67 6.791,68 12,69 2.095,70 28.158,71 7.499,72 2.532,73 0.647,74 11.569,75 11.569,76 11.569,77 11.569,78 11.569,79 11.806,80 1.162,81 -3.058,82 -3.058,83 3782,84 3.589,85 196,86 29.359,87 2.941,88 6.914,89 2.196,90 2.86,91 111.582,92 264.02,93 0.794,94 285,95 -3.594,96 -3.594,97 18.006,98 9.759,99 29.512,100 -4.703,101 -4.703,102 0.478,103 9.383,104 9.383,105 9.383,106 9.383,107 9.383,108 4.945,109 0.047,110 3.331,111 2.99,112 28.192,113 302.869,114 63.765,115 2.299,116 2.773,117 4.522,118 2.912,119 1.267,120 0.267,121 3.208,122 6677,123 3.694,124 0.251,125 4.533,126 92,127 4.99,128 112.211,129 2.415,130 4.067,131 9.346,132 67.424,133 0.333,134 2,135 2.715,136 11.828,137 17,138 2.996,139 2.996,140 4.5}
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{0 CHEMBL1981047,1 1,3 3.75,4 3.575,5 3.811,6 3.567,7 11.808,8 3.568,9 4.002,10 2.07,11 107.609,12 17.029,13 9.041,14 1.705,15 3.295,16 3.763,17 235.685,18 3.529,19 3.332,20 5.686,21 3.837,22 2.404,23 3.233,24 331.947,25 6,26 1.539,27 2,28 4.718,29 40.594,30 101.771,31 101.771,32 1.406,33 1.523,34 21.71,35 20.03,36 1.377,37 4.11,38 1.445,39 3.414,40 7.505,41 7.505,42 3.92,43 1,44 1,45 17.029,46 5.067,47 24.994,48 513.008,49 1.656,50 4.264,51 1.686,52 764.69,53 1,54 1.488,55 3.902,56 246.322,57 1.537,58 59.43,59 2.389,60 2.389,61 306.66,62 15.23,63 167.525,64 1.947,65 1.947,66 1.763,67 13.963,68 23.75,69 3.997,70 58.636,71 15.23,72 6.755,73 1.526,74 23.955,75 23.955,76 23.955,77 23.955,78 23.955,79 24.521,80 1.7,81 2.275,82 2.275,83 29910,84 4.293,85 2371,86 60.919,87 3.772,88 8.928,89 4.064,90 4.655,91 246.685,92 593.671,93 1.341,94 487,95 2.275,96 2.275,97 42.534,98 19.939,99 61.076,100 2.136,101 2.136,102 2.5,103 19.163,104 19.163,105 19.163,106 19.163,107 19.163,108 11.595,109 1.881,110 4.153,111 3.641,112 58.716,113 521.175,114 135.925,115 4.167,116 4.232,117 5.178,118 3.588,119 1.077,120 0.077,121 6.533,122 49387,123 7.694,124 2.499,125 5.242,126 188,127 5.7,128 339.189,129 3.356,130 5.098,131 20.794,132 192.327,133 0.8,134 12,135 5.618,136 24.363,137 35,138 3.689,139 3.689,140 5.4}
{0 CHEMBL1981079,1 1,2 1,3 3.285,4 3.01,5 3.354,6 2.951,7 6.904,8 3.133,9 3.137,10 0.51,11 72.181,12 10.83,13 5.197,14 1.296,15 2.828,16 3.262,17 126.245,18 3.025,19 2.827,20 5.033,21 3.44,22 0.692,23 2.841,24 187.828,25 3,26 0.962,27 0.235,28 4.511,29 24.14,30 64.707,31 64.707,32 0.098,33 1.079,34 12.868,35 12.433,36 -0.943,37 3.788,38 0.245,39 2.359,40 6.008,41 6.008,42 3.113,43 -0.714,44 -0.714,45 10.952,46 4.428,47 15.226,48 408.058,49 1.232,50 3.63,51 1.246,52 610.37,53 -0.673,54 0.894,55 3.512,56 166.6,57 1.251,58 38.725,59 2.139,60 2.139,61 153.364,62 10.263,63 104.042,64 1.406,65 1.406,66 1.663,67 8.725,68 15.25,69 3.632,70 37.958,71 10.394,72 3.469,73 1.068,74 15.085,75 15.085,76 15.085,77 15.085,78 15.085,79 15.464,80 1.294,81 -1.242,82 -1.242,83 10013,84 3.863,85 704,86 39.208,87 3.238,88 7.772,89 3.369,90 3.381,91 153.628,92 366.611,93 0.922,94 393,95 -2,96 -2,97 24.324,98 13.023,99 40.006,100 -2.022,101 -2.022,102 0.944,103 12.327,104 12.327,105 12.327,106 12.327,107 12.327,108 6.449,109 0.982,110 3.62,111 3.32,112 38.212,113 417.979,114 85.385,115 3.398,116 3.526,117 4.806,118 3.189,119 1,121 4.144,122 19922,123 4.972,124 0.796,125 4.812,126 122,127 5.273,128 168.974,129 3.044,130 4.494,131 12.287,132 105.583,133 1,134 2,135 3.723,136 16.19,137 23,138 3.258,139 3.258,140 5.8}
{0 CHEMBL1981133,3 3.624,4 3.478,5 3.687,6 3.482,7 9.987,8 3.448,9 3.774,10 1.687,11 91.206,12 14.759,13 7.482,14 1.623,15 3.265,16 3.646,17 181.471,18 3.395,19 3.27,20 5.246,21 3.656,22 2.086,23 3.118,24 266.866,25 6,26 1.391,27 1.625,28 4.767,29 34.542,30 74.219,31 74.219,32 0.988,33 1.27,34 17.793,35 16.454,36 0.922,37 3.759,38 1.107,39 3.212,40 6.54,41 6.54,42 3.679,43 0.652,44 0.652,45 14.759,46 4.87,47 21.417,48 430.286,49 1.509,50 4.026,51 1.58,52 644.5,53 0.636,54 1.339,55 3.6,56 200.76,57 1.625,58 51.219,59 2.236,60 2.236,61 247.894,62 13.135,63 147.207,64 1.618,65 1.618,66 1.723,67 12.468,68 19.25,69 3.674,70 50.919,71 13.135,72 5.308,73 1.256,74 20.878,75 20.878,76 20.878,77 20.878,78 20.878,79 21.195,80 1.616,81 1.612,82 1.612,83 20249,84 4.156,85 1506,86 51.293,87 3.669,88 8.483,89 3.762,90 4.374,91 209.657,92 503.322,93 1.336,94 418,95 1.531,96 1.531,97 36.33,98 17.346,99 51.431,100 1.149,101 1.149,102 2.589,103 16.84,104 16.84,105 16.84,106 16.84,107 16.84,108 9.89,109 1.389,110 4.025,111 3.502,112 50.852,113 443.193,114 117.868,115 3.866,116 3.947,117 5.092,118 3.44,119 1.16,120 0.16,121 5.96,122 34241,123 6.528,124 2.15,125 5.094,126 162,127 5.549,128 286.423,129 3.2,130 4.883,131 17.921,132 157.096,133 0.6,134 6,135 4.716,136 20.338,137 30,138 3.555,139 3.555,140 5.4}
{0 CHEMBL1981215,3 3.429,4 3.186,5 3.471,6 3.129,7 7.68,8 3.334,9 3.328,10 0.763,11 86.371,12 11.152,13 5.401,14 1.434,15 2.964,16 3.375,17 144.87,18 3.285,19 3.018,20 5.147,21 3.616,22 1.177,23 3.07,24 233.848,25 3,26 1.07,27 0.734,28 4.506,29 27.593,30 76.98,31 76.98,32 0.51,33 1.138,34 15.975,35 13.797,36 -0.354,37 3.783,38 0.645,39 2.726,40 6.245,41 6.245,42 3.372,43 -0.26,44 -0.26,45 13.219,46 4.706,47 17.939,48 560.789,49 1.397,50 3.552,51 1.244,52 808.8,53 -0.254,54 1.027,55 3.614,56 195.4,57 1.207,58 45.548,59 2.182,60 2.182,61 175.724,62 9.917,63 127.851,64 1.744,65 1.744,66 1.708,67 10.576,68 19,69 3.762,70 44.847,71 13.096,72 3.469,73 1.136,74 18.074,75 18.074,76 18.074,77 18.074,78 18.074,79 18.915,80 1.38,81 -0.198,82 -0.198,83 21545,84 4.051,85 1234,86 45.065,87 3.291,88 8.296,89 3.403,90 3.894,91 166.474,92 397.957,93 1.053,94 499,95 -0.644,96 -0.644,97 26.188,98 16.311,99 45.922,100 -1.836,101 -1.836,102 1.333,103 14.856,104 14.856,105 14.856,106 14.856,107 14.856,108 7.438,109 1.189,110 3.708,111 3.415,112 45.119,113 535.09,114 86.643,115 3.316,116 3.388,117 4.951,118 3.374,119 1.125,120 0.125,121 5.063,122 48177,123 5.972,124 1.226,125 4.99,126 146,127 5.451,128 197.376,129 3.103,130 4.778,131 14.167,132 142.082,133 0.667,134 5,135 5.34,136 16.234,137 28,138 3.434,139 3.434,140 5.4}
{0 CHEMBL1981410,1 1,3 3.538,4 3.357,5 3.608,6 3.346,7 10.032,8 3.494,9 3.765,10 1.351,11 100.951,12 14.619,13 7.14,14 1.608,15 3.151,16 3.618,17 208.644,18 3.438,19 3.203,20 5.346,21 3.765,22 1.696,23 3.366,24 298.188,25 4,26 1.293,27 1.459,28 4.666,29 35.229,30 94.627,31 94.627,32 1,33 1.324,34 19.553,35 17.494,36 0.604,37 3.919,38 1.189,39 3.414,40 6.997,41 6.997,42 3.684,43 0.541,44 0.541,45 15.83,46 4.964,47 22.27,48 580.988,49 1.551,50 4.033,51 1.59,52 848.75,53 0.496,54 1.234,55 3.68,56 227.404,57 1.495,58 54.133,59 2.393,60 2.393,61 247.315,62 12.945,63 157.71,64 1.962,65 1.962,66 1.747,67 12.848,68 22.5,69 3.906,70 53.409,71 14.903,72 4.884,73 1.406,74 22.013,75 22.013,76 22.013,77 22.013,78 22.013,79 22.686,80 1.593,81 2.275,82 2.275,83 30599,84 4.226,85 1833,86 53.975,87 3.589,88 8.755,89 3.807,90 4.387,91 215.178,92 516.794,93 1.249,94 534,95 0.978,96 0.978,97 35.398,98 18.863,99 54.652,100 0.277,101 0.277,102 2.5,103 17.737,104 17.737,105 17.737,106 17.737,107 17.737,108 9.816,109 1.654,110 3.972,111 3.476,112 53.589,113 568.786,114 121.45,115 3.868,116 3.967,117 5.121,118 3.531,119 1.087,120 0.087,121 6.02,122 59832,123 7.167,124 2.393,125 5.165,126 174,127 5.624,128 273.315,129 3.351,130 5.019,131 17.924,132 178.376,133 0.75,134 7,135 5.846,136 20.924,137 33,138 3.611,139 3.611,140 5.4}
{0 CHEMBL1981492,1 2,3 2.958,4 2.771,5 3.035,6 2.776,7 4.046,8 2.918,9 1.222,10 -0.72,11 43.345,12 6.736,13 2.766,14 1.067,15 2.493,16 2.769,17 84.532,18 2.81,19 2.523,20 3.61,21 2.933,22 -0.5,23 1.468,24 90.167,25 2,26 0.806,27 -0.992,28 4.023,29 15.074,30 40.228,31 40.228,32 -1.816,33 0.534,34 8.121,35 7.598,36 -2.824,37 2.092,38 -1.512,39 1.028,40 2.933,41 2.933,42 0.904,43 -1.923,44 -1.923,45 6.736,46 3.714,47 9.331,48 247.717,49 0.969,50 2.741,51 1.124,52 365.87,53 -1.82,54 0.716,55 0.321,56 97.478,57 0.898,58 22.47,59 1.354,60 1.354,61 92.532,62 5.884,63 53.303,64 0.138,65 0.138,66 1.517,67 5.495,68 9.75,69 1.095,70 22.26,71 5.884,72 1.936,73 0.561,74 9.422,75 9.422,76 9.422,77 9.422,78 9.422,79 9.755,80 1.089,81 -5.652,82 -5.652,83 2316,84 3.373,85 164,86 23.779,87 2.725,88 6.337,89 1.684,90 2.536,91 96.053,92 226.13,93 0.608,94 232,95 -6.573,96 -6.573,97 15.21,98 7.745,99 24.227,100 -7.056,101 -7.056,102 -0.326,103 7.316,104 7.316,105 7.316,106 7.316,107 7.316,108 3.943,109 -0.859,110 3.082,111 2.805,112 22.251,113 249.172,114 50.945,115 1.985,116 2.519,117 4.297,118 2.736,119 1.222,120 0.222,121 2.484,122 3869,123 3.194,124 -0.378,125 4.29,126 72,127 4.745,128 97.287,129 2.329,130 3.779,131 7.21,132 51.27,133 0.5,134 1,135 2.133,136 10.129,137 14,138 2.773,139 2.773,140 4.5}
{0 CHEMBL1981720,3 3.342,4 3.125,5 3.394,6 3.075,7 6.006,8 3.053,9 2.966,10 0.482,11 61.761,12 9.826,13 4.045,14 1.157,15 2.843,16 3.138,17 96.686,18 2.988,19 2.847,20 4.124,21 3.256,22 0.5,23 2.766,24 146.071,25 2,26 0.966,27 -0.017,28 4.128,29 21.402,30 50.614,31 50.614,32 -0.618,33 0.881,34 11.652,35 10.446,36 -1.417,37 3.177,38 -0.416,39 2,40 3.752,41 3.752,42 2.92,43 -1,44 -1,45 9.826,46 4.283,47 13.612,48 328.186,49 1.009,50 3.257,51 1.189,52 479.45,53 -0.931,54 0.91,55 2.939,56 127.57,57 1.166,58 32.227,59 1.618,60 1.618,61 127.97,62 8.48,63 86.439,64 1.268,65 1.268,66 1.616,67 8.526,68 13.75,69 3.006,70 31.923,71 8.48,72 2.702,73 0.872,74 13.845,75 13.845,76 13.845,77 13.845,78 13.845,79 14.137,80 1.168,81 -1.827,82 -1.827,83 6827,84 3.744,85 470,86 32.985,87 3.118,88 7.331,89 2.977,90 3.356,91 134.504,92 319.95,93 0.797,94 313,95 -2.258,96 -2.258,97 21.767,98 11.367,99 32.552,100 -2.347,101 -2.347,102 0.882,103 10.915,104 10.915,105 10.915,106 10.915,107 10.915,108 5.909,109 0.565,110 3.445,111 3.267,112 31.85,113 332.494,114 72.412,115 3.006,116 3.097,117 4.656,118 3.057,119 1.125,120 0.125,121 4.087,122 12225,123 4.472,124 0.74,125 4.635,126 102,127 5.081,128 149.58,129 2.585,130 4.298,131 10.671,132 88.863,133 0.667,134 3,135 3.049,136 13.786,137 20,138 3.135,139 3.135,140 5.4}
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{0 CHEMBL1982465,3 3.795,4 3.609,5 3.849,6 3.6,7 12.644,8 3.509,9 4.198,10 2.268,11 113.672,12 18.018,13 9.507,14 1.621,15 3.365,16 3.806,17 253.244,18 3.471,19 3.357,20 5.374,21 3.899,22 2.463,23 3.465,24 336.595,25 4,26 1.445,27 1.991,28 4.937,29 41.518,30 99.971,31 99.971,32 1.24,33 1.444,34 21.569,35 20.822,36 1.421,37 4.075,38 1.256,39 3.479,40 6.968,41 6.968,42 4.065,43 1,44 1,45 17.564,46 5.118,47 25.572,48 524.602,49 1.533,50 4.239,51 1.568,52 806.59,53 0.978,54 1.426,55 4.07,56 257.136,57 1.66,58 60.31,59 2.464,60 2.464,61 311.059,62 16.252,63 176.117,64 2.089,65 2.089,66 1.77,67 14.738,68 23.25,69 4.054,70 59.217,71 15.727,72 6.997,73 1.403,74 24.654,75 24.654,76 24.654,77 24.654,78 24.654,79 25.268,80 1.599,81 2.514,82 2.514,83 34563,84 4.324,85 2762,86 61.237,87 3.842,88 9.004,89 4.052,90 4.843,91 257.428,92 619.884,93 1.313,94 519,95 2.275,96 2.275,97 43.961,98 20.747,99 60.632,100 2.136,101 2.136,102 2.562,103 19.792,104 19.792,105 19.792,106 19.792,107 19.792,108 11.697,109 1.918,110 4.169,111 3.698,112 59.097,113 552.937,114 146.991,115 4.149,116 4.131,117 5.244,118 3.615,119 1.074,120 0.074,121 7.05,122 59096,123 7.889,124 2.5,125 5.252,126 190,127 5.707,128 333.059,129 3.419,130 5.134,131 20.959,132 200.876,133 0.8,134 8,135 5.614,136 25.261,137 36,138 3.714,139 3.714,140 5.8}
{0 CHEMBL1982466,3 3.791,4 3.661,5 3.836,6 3.655,7 11.255,8 3.5,9 3.936,10 2.151,11 103.675,12 16.428,13 8.715,14 1.631,15 3.212,16 3.708,17 213.445,18 3.451,19 3.243,20 5.357,21 3.82,22 2.261,23 3.489,24 310.495,25 4,26 1.43,27 1.673,28 4.772,29 37.245,30 88.261,31 88.261,32 1,33 1.409,34 18.956,35 18.98,36 1.155,37 4.01,38 1,39 3.414,40 6.976,41 6.976,42 3.818,43 0.806,44 0.806,45 15.974,46 4.979,47 23.163,48 522.963,49 1.532,50 4.185,51 1.569,52 802.22,53 0.686,54 1.37,55 3.754,56 247.977,57 1.459,58 56.513,59 2.401,60 2.401,61 262.465,62 15.387,63 156.465,64 2.125,65 2.125,66 1.748,67 12.97,68 21.25,69 3.875,70 55.839,71 14.862,72 6.417,73 1.38,74 22.325,75 22.325,76 22.325,77 22.325,78 22.325,79 22.744,80 1.61,81 2.275,82 2.275,83 26580,84 4.238,85 1976,86 56.996,87 3.742,88 8.754,89 3.902,90 4.48,91 231.449,92 556.495,93 1.315,94 517,95 2.059,96 2.059,97 39.228,98 18.952,99 57.769,100 1.653,101 1.653,102 2.5,103 18.269,104 18.269,105 18.269,106 18.269,107 18.269,108 10.334,109 1.413,110 4.086,111 3.791,112 55.751,113 551.495,114 134.53,115 4.007,116 4.053,117 5.197,118 3.532,119 1.077,120 0.077,121 6.197,122 46237,123 7.083,124 2.5,125 5.198,126 180,127 5.659,128 280.465,129 3.374,130 5.011,131 19.126,132 177.529,133 0.8,134 6,135 5.189,136 23.303,137 33,138 3.638,139 3.638,140 5.4}
{0 CHEMBL1982476,3 3.533,4 3.355,5 3.589,6 3.345,7 10.535,8 3.462,9 3.771,10 1.322,11 100.729,12 15.7,13 7.973,14 1.581,15 3.13,16 3.615,17 190.782,18 3.41,19 3.177,20 5.385,21 3.785,22 1.491,23 3.325,24 277.908,25 4,26 1.329,27 1.229,28 4.727,29 34.239,30 88.345,31 88.345,32 1,33 1.26,34 18.008,35 17.973,36 0.316,37 3.984,38 1.089,39 3.414,40 6.992,41 6.992,42 3.663,43 0.277,44 0.277,45 14.957,46 4.877,47 21.261,48 498.761,49 1.383,50 4.068,51 1.447,52 779.09,53 0.26,54 1.261,55 3.747,56 236.953,57 1.423,58 51.069,59 2.322,60 2.322,61 231.611,62 14.514,63 149.58,64 1.908,65 1.908,66 1.732,67 12.15,68 20,69 3.764,70 50.587,71 13.582,72 5.881,73 1.256,74 20.886,75 20.886,76 20.886,77 20.886,78 20.886,79 21.419,80 1.552,81 2.028,82 2.028,83 24365,84 4.165,85 1614,86 52.891,87 3.643,88 8.576,89 3.747,90 4.225,91 218.527,92 524.967,93 1.212,94 501,95 0.406,96 0.406,97 35.773,98 17.531,99 53.393,100 0.194,101 0.194,102 2.5,103 16.703,104 16.703,105 16.703,106 16.703,107 16.703,108 9.273,109 1.278,110 3.98,111 3.556,112 50.656,113 533.375,114 124.051,115 3.837,116 3.94,117 5.103,118 3.472,119 1.095,120 0.095,121 5.677,122 46311,123 6.833,124 2.234,125 5.106,126 164,127 5.565,128 253.611,129 3.289,130 4.924,131 17.279,132 163.298,133 0.75,134 8,135 4.893,136 22.811,137 31,138 3.555,139 3.555,140 6.1}
{0 CHEMBL1982506,3 3.246,4 2.966,5 3.312,6 2.953,7 5.558,8 3.137,9 2.313,10 -0.096,11 59.156,12 9.151,13 4.059,14 1.353,15 2.843,16 3.086,17 106.617,18 3.071,19 2.848,20 4.761,21 3.239,22 0.19,23 2.576,24 150.321,25 2,26 1.121,27 -0.228,28 3.909,29 20.009,30 49.556,31 49.556,32 -0.51,33 0.865,34 11.451,35 10.312,36 -1.477,37 3.164,38 0.013,39 2.305,40 5.005,41 5.005,42 2.25,43 -1.165,44 -1.165,45 9.151,46 4.153,47 12.767,48 352.082,49 1.174,50 3.334,51 1.342,52 525.63,53 -1.064,54 1.06,55 2.252,56 142.323,57 1.133,58 31.882,59 1.732,60 1.732,61 113.372,62 8.241,63 80.711,64 1.204,65 1.204,66 1.61,67 7.241,68 13,69 2.846,70 31.889,71 8.241,72 3.064,73 0.871,74 12.895,75 12.895,76 12.895,77 12.895,78 12.895,79 13.295,80 1.362,81 -2.389,82 -2.389,83 5398,84 3.686,85 362,86 34.296,87 3.039,88 7.224,89 2.694,90 2.979,91 122.372,92 290.349,93 0.982,94 331,95 -3.191,96 -3.191,97 19.875,98 10.628,99 34.461,100 -3.905,101 -3.905,102 0.971,103 10.209,104 10.209,105 10.209,106 10.209,107 10.209,108 5.414,109 0.763,110 3.458,111 3.065,112 31.687,113 355.803,114 65.167,115 2.746,116 3.055,117 4.642,118 3.013,119 1.308,120 0.308,121 3.221,122 9985,123 4.25,124 0.584,125 4.654,126 104,127 5.118,128 117.372,129 2.698,130 4.22,131 10.343,132 79.543,133 0.333,134 7,135 3.074,136 13.569,137 19,138 3.091,139 3.091,140 5.4}
{0 CHEMBL1982563,1 2,2 1,3 3.723,4 3.586,5 3.775,6 3.576,7 10.037,8 3.398,9 4.035,10 1.254,11 94.046,12 14.482,13 8.238,14 1.564,15 3.155,16 3.623,17 211.602,18 3.332,19 3.173,20 5.378,21 3.702,22 1.728,23 3.182,24 289.809,25 7,26 1.322,27 1.525,28 4.939,29 35.494,30 89.564,31 89.564,32 0.856,33 1.391,34 18.155,35 18.055,36 0.666,37 4.172,38 1,39 3.414,40 6.881,41 6.881,42 3.928,43 0.607,44 0.607,45 14.876,46 4.87,47 21.747,48 491.187,49 1.51,50 4.2,51 1.6,52 727.56,53 0.556,54 1.27,55 3.883,56 215.528,57 1.649,58 51.858,59 2.349,60 2.349,61 276.583,62 13.356,63 145.58,64 1.789,65 1.789,66 1.743,67 12.107,68 21,69 4.065,70 51.243,71 13.978,72 4.995,73 1.365,74 20.731,75 20.731,76 20.731,77 20.731,78 20.731,79 21.358,80 1.574,81 1.96,82 1.96,83 19179,84 4.165,85 1767,86 52.116,87 3.63,88 8.632,89 4.1,90 4.073,91 218.507,92 524.917,93 1.223,94 463,95 1.337,96 1.337,97 37.04,98 17.726,99 53.298,100 -0.162,101 -0.162,102 2.186,103 16.747,104 16.747,105 16.747,106 16.747,107 16.747,108 9.858,109 1.338,110 3.993,111 3.622,112 51.224,113 497.078,114 118.055,115 4.181,116 4.216,117 5.078,118 3.472,119 1.095,120 0.095,121 5.644,122 32135,123 6.75,124 2.159,125 5.118,126 166,127 5.58,128 286.192,129 3.282,130 4.92,131 17.602,132 159.209,133 0.75,134 8,135 4.812,136 21.14,137 31,138 3.555,139 3.555,140 7.6}
{0 CHEMBL1982610,1 2,3 3.046,4 2.897,5 3.046,6 2.992,7 6.629,8 2.922,9 2.849,10 -0.106,11 70.608,12 9.803,13 5.37,14 1.024,15 2.794,16 3.067,17 92.587,18 2.879,19 2.767,20 4.575,21 3.544,22 0.103,23 2.47,24 134.688,25 1,26 0.867,27 -0.395,28 4.324,29 19.504,30 48.67,31 48.67,32 -0.846,33 0.823,34 10.343,35 11.936,36 -1.741,37 3.759,38 -0.647,39 1.709,40 4.634,41 4.634,42 2.518,43 -1.264,44 -1.264,45 8.648,46 4.09,47 12.365,48 317.47,49 1,50 3.233,51 1.038,52 509.7,53 -1.114,54 0.824,55 4.066,56 198.616,57 0.873,58 31.085,59 1.709,60 1.709,61 108.096,62 9.644,63 75.059,64 1,65 1,66 1.589,67 6.924,68 12.25,69 3.691,70 30.512,71 8.123,72 3.61,73 0.797,74 12.016,75 12.016,76 12.016,77 12.016,78 12.016,79 12.529,80 1.055,81 -3.281,82 -3.281,83 5340,84 3.636,85 320,86 32.188,87 3.119,88 7.046,89 2.864,90 3.004,91 133.503,92 317.508,93 0.77,94 325,95 -3.383,96 -3.383,97 21.273,98 10.85,99 31.815,100 -3.715,101 -3.715,102 0.451,103 9.86,104 9.86,105 9.86,106 9.86,107 9.86,108 5.198,109 0.207,110 3.456,111 3.368,112 30.83,113 345.574,114 76.921,115 3.121,116 3.159,117 4.593,118 2.962,119 1.133,120 0.133,121 3.296,122 10724,123 3.861,124 0.334,125 4.595,126 98,127 5.056,128 116.096,129 2.613,130 4.145,131 10.12,132 74.761,133 0.667,134 3,135 2.839,136 14.698,137 18,138 3.045,139 3.045,140 5.4}
{0 CHEMBL1982660,3 3.414,4 3.185,5 3.459,6 3.129,7 7.417,8 3.315,9 3.337,10 0.748,11 79.803,12 11.152,13 5.227,14 1.426,15 2.964,16 3.348,17 146.969,18 3.267,19 3.018,20 5.069,21 3.532,22 0.905,23 2.993,24 212.585,25 3,26 1.153,27 0.447,28 4.435,29 26.826,30 73.783,31 73.783,32 0.51,33 1.141,34 14.983,35 13.464,36 -0.674,37 3.617,38 0.576,39 2.721,40 6.019,41 6.019,42 3.317,43 -0.5,44 -0.5,45 12.364,46 4.606,47 17.073,48 490.971,49 1.395,50 3.562,51 1.375,52 711.66,53 -0.468,54 1.072,55 3.414,56 180.079,57 1.208,58 42.211,59 2.111,60 2.111,61 172.969,62 9.917,63 117.457,64 1.531,65 1.531,66 1.689,67 9.925,68 17.5,69 3.612,70 41.75,71 11.874,72 3.479,73 1.136,74 17.082,75 17.082,76 17.082,77 17.082,78 17.082,79 17.726,80 1.444,81 -0.643,82 -0.643,83 15801,84 3.982,85 968,86 42.496,87 3.295,88 8.087,89 3.351,90 3.728,91 164.078,92 392.11,93 1.063,94 445,95 -1.062,96 -1.062,97 26.313,98 14.808,99 42.813,100 -1.964,101 -1.964,102 1.324,103 13.783,104 13.783,105 13.783,106 13.783,107 13.783,108 7.22,109 1.094,110 3.68,111 3.381,112 41.877,113 476.178,114 86.634,115 3.325,116 3.396,117 4.892,118 3.304,119 1.125,120 0.125,121 4.647,122 31899,123 5.639,124 1.177,125 4.92,126 136,127 5.38,128 194.621,129 3.063,130 4.675,131 13.47,132 128.068,133 0.667,134 5,135 4.792,136 16.234,137 26,138 3.367,139 3.367,140 5.4}
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{0 CHEMBL1982711,3 3.278,4 3.06,5 3.341,6 3.023,7 6.062,8 2.925,9 2.525,10 0.074,11 59.938,12 9.453,13 4.568,14 1.14,15 2.735,16 3.137,17 100.111,18 2.868,19 2.715,20 4.482,21 3.258,22 0.418,23 2.511,24 143.645,25 2,26 0.967,28 4.113,29 20.714,30 49.604,31 49.604,32 -0.909,33 0.81,34 10.769,35 10.608,36 -1.5,37 3.137,38 -0.427,39 2,40 4.253,41 4.253,42 2.502,43 -1,44 -1,45 9.165,46 4.171,47 12.953,48 307.781,49 1.062,50 3.388,51 1.181,52 475.5,53 -1.003,54 0.916,55 2.779,56 140.034,57 1.107,58 32.482,59 1.62,60 1.62,61 119.272,62 8.776,63 76.711,64 1,65 1,66 1.603,67 7.38,68 12.25,69 2.891,70 32.003,71 8.406,72 3.318,73 0.792,74 12.776,75 12.776,76 12.776,77 12.776,78 12.776,79 12.984,80 1.157,81 -2.433,82 -2.433,83 5867,84 3.688,85 397,86 32.902,87 3.144,88 7.184,89 2.77,90 3.109,91 132.176,92 314.269,93 0.886,94 306,95 -3,96 -3,97 21.375,98 10.719,99 33.41,100 -3.311,101 -3.311,102 0.569,103 10.333,104 10.333,105 10.333,106 10.333,107 10.333,108 5.657,109 0.213,110 3.511,111 3.27,112 32.154,113 324.575,114 73.462,115 2.846,116 3.146,117 4.654,118 3.011,119 1.133,120 0.133,121 3.441,122 10978,123 4.139,124 0.5,125 4.635,126 102,127 5.094,128 126.881,129 2.601,130 4.219,131 10.641,132 81.371,133 0.667,134 4,135 2.99,136 13.905,137 19,138 3.091,139 3.091,140 5.5}
{0 CHEMBL1982866,1 1,3 3.436,4 3.221,5 3.485,6 3.212,7 7.242,8 3.157,9 3.416,10 0.5,11 71.008,12 11.064,13 5.185,14 1.385,15 2.852,16 3.272,17 131.489,18 3.067,19 2.841,20 4.526,21 3.415,22 0.5,23 2.5,24 171.049,25 5,26 1.192,28 4.551,29 24.789,30 62.146,31 62.146,32 -0.316,33 1.107,34 13.219,35 12.864,36 -0.984,37 3.675,38 0.317,39 2.222,40 4.356,41 4.356,42 3.28,43 -0.88,44 -0.88,45 10.775,46 4.407,47 15.337,48 338.982,49 1.193,50 3.666,51 1.382,52 513.73,53 -0.742,54 1.117,55 3.398,56 150.245,57 1.249,58 35.384,59 1.704,60 1.704,61 168.385,62 9.634,63 94.107,64 1.146,65 1.146,66 1.652,67 9.385,68 14.5,69 3.595,70 35.161,71 9.225,72 3.514,73 1.062,74 15.215,75 15.215,76 15.215,77 15.215,78 15.215,79 15.78,80 1.384,81 -1.444,82 -1.444,83 8260,84 3.83,85 694,86 35.886,87 3.282,88 7.64,89 3.525,90 3.446,91 158.155,92 377.658,93 0.928,94 332,95 -1.782,96 -1.782,97 25.904,98 12.706,99 36.265,100 -2.347,101 -2.347,102 1.125,103 11.857,104 11.857,105 11.857,106 11.857,107 11.857,108 6.773,109 0.834,110 3.604,111 3.362,112 35.336,113 355.82,114 86.715,115 3.65,116 3.683,117 4.703,118 3.147,119 1,121 4.469,122 14728,123 5,124 0.756,125 4.727,126 112,127 5.176,128 175.995,129 2.64,130 4.423,131 12.054,132 99.98,133 1,134 8,135 3.282,136 15.864,137 22,138 3.219,139 3.219,140 5.6}
{0 CHEMBL1982874,1 2,3 3.836,4 3.739,5 3.87,6 3.76,7 10.528,8 3.48,9 3.884,10 1.404,11 92.606,12 14.23,13 8.472,14 1.457,15 3.302,16 3.61,17 185.233,18 3.424,19 3.295,20 5.569,21 3.745,22 1.739,23 3.371,24 287.443,25 4,26 1.361,27 1.283,28 4.695,29 32.365,30 76.29,31 76.29,32 0.985,33 1.429,34 17.189,35 16.364,36 0.472,37 4.125,38 1,39 3.414,40 7.436,41 7.436,42 3.797,43 0.362,44 0.362,45 14.17,46 4.807,47 20.812,48 496.607,49 1.421,50 4.202,51 1.513,52 765.55,53 0.328,54 1.364,55 3.965,56 244.106,57 1.454,58 53.169,59 2.419,60 2.419,61 220.659,62 13.366,63 134.881,64 1.994,65 1.994,66 1.726,67 11.451,68 20,69 4.036,70 52.493,71 13.405,72 6.037,73 1.376,74 20.049,75 20.049,76 20.049,77 20.049,78 20.049,79 20.659,80 1.466,81 2.253,82 2.253,83 16261,84 4.124,85 1329,86 52.946,87 3.639,88 8.447,89 3.96,90 4.098,91 194.468,92 466.262,93 1.205,94 485,95 0.974,96 0.974,97 33.944,98 17.886,99 54.122,100 0.346,101 0.346,102 2.438,103 16.818,104 16.818,105 16.818,106 16.818,107 16.818,108 9.611,109 1.403,110 3.98,111 3.735,112 52.498,113 512.193,114 113.348,115 4.076,116 4.223,117 5.125,118 3.409,119 1.154,120 0.154,121 5.48,122 29027,123 6.056,124 2.25,125 5.142,126 170,127 5.609,128 236.311,129 3.352,130 4.828,131 18.382,132 144.095,133 0.667,134 10,135 4.829,136 19.018,137 29,138 3.555,139 3.555,140 7.6}
{0 CHEMBL1982924,3 3.487,4 3.322,5 3.538,6 3.3,7 8.224,8 3.323,9 3.501,10 0.782,11 79.458,12 12.742,13 5.875,14 1.539,15 3.03,16 3.467,17 145.581,18 3.268,19 3.054,20 5.147,21 3.51,22 1.213,23 2.86,24 220.868,25 4,26 1.256,27 0.809,28 4.247,29 29.181,30 64.849,31 64.849,32 0.688,33 1.124,34 15.391,35 14.192,36 -0.218,37 3.629,38 0.936,39 2.793,40 6.237,41 6.237,42 3.437,43 -0.168,44 -0.168,45 12.742,46 4.65,47 18.144,48 401.872,49 1.42,50 3.818,51 1.573,52 599.39,53 -0.162,54 1.22,55 3.404,56 173.674,57 1.361,58 43.539,59 2.112,60 2.112,61 182.6,62 11.156,63 118.211,64 1.397,65 1.397,66 1.69,67 10.703,68 16.75,69 3.536,70 43.259,71 11.156,72 4.206,73 1.115,74 18.024,75 18.024,76 18.024,77 18.024,78 18.024,79 18.346,80 1.543,81 0.621,82 0.621,83 12992,84 4.005,85 982,86 44.729,87 3.475,88 8.093,89 3.552,90 3.866,91 178.81,92 428.056,93 1.161,94 387,95 -0.439,96 -0.439,97 30.256,98 14.692,99 44.24,100 -1.42,101 -1.42,102 2.056,103 14.281,104 14.281,105 14.281,106 14.281,107 14.281,108 8.117,109 1.099,110 3.82,111 3.424,112 43.159,113 411.969,114 99.795,115 3.613,116 3.734,117 4.945,118 3.304,119 1.095,120 0.095,121 5.026,122 22275,123 5.778,124 1.583,125 4.934,126 138,127 5.389,128 211.82,129 3.079,130 4.673,131 14.734,132 127.383,133 0.75,134 4,135 4.057,136 17.933,137 26,138 3.401,139 3.401,140 5.4}
{0 CHEMBL1982957,3 3.413,4 3.273,5 3.458,6 3.261,7 7.65,8 3.312,9 3.422,10 0.705,11 72.096,12 11.72,13 5.634,14 1.517,15 3.031,16 3.41,17 113.527,18 3.251,19 3.058,20 4.639,21 3.417,22 0.779,23 2.826,24 203.457,25 3,26 1.219,27 0.326,28 3.921,29 26.94,30 56.334,31 56.334,32 0.133,33 1.107,34 13.877,35 12.861,36 -0.918,37 3.571,38 0.531,39 2.624,40 4.662,41 4.662,42 3.321,43 -0.674,44 -0.674,45 11.72,46 4.532,47 16.77,48 361.918,49 1.172,50 3.81,51 1.395,52 545.65,53 -0.671,54 1.182,55 3.215,56 161.49,57 1.361,58 41.565,59 1.76,60 1.76,61 152.911,62 10.567,63 106.039,64 1.342,65 1.342,66 1.671,67 9.748,68 15,69 3.41,70 41.087,71 10.567,72 4.096,73 1.062,74 16.499,75 16.499,76 16.499,77 16.499,78 16.499,79 16.589,80 1.487,81 -1.019,82 -1.019,83 9988,84 3.93,85 730,86 41.726,87 3.43,88 7.874,89 3.483,90 3.637,91 165.221,92 394.9,93 1.038,94 353,95 -1.598,96 -1.598,97 28.04,98 13.494,99 41.788,100 -2,101 -2,102 2.014,103 13.348,104 13.348,105 13.348,106 13.348,107 13.348,108 7.592,109 1,110 3.783,111 3.352,112 41.055,113 373.76,114 93.793,115 3.568,116 3.702,117 4.902,118 3.229,119 1.095,120 0.095,121 4.624,122 17157,123 5.222,124 1.002,125 4.875,126 130,127 5.333,128 181.376,129 2.742,130 4.557,131 13.95,132 112.872,133 0.75,134 5,135 3.793,136 16.518,137 24,138 3.332,139 3.332,140 6.3}
{0 CHEMBL1982980,3 3.551,4 3.414,5 3.609,6 3.427,7 10.146,8 3.48,9 3.847,10 0.994,11 91.667,12 14.385,13 7.926,14 1.654,15 3.261,16 3.597,17 198.045,18 3.451,19 3.276,20 5.259,21 3.677,22 1.283,23 2.997,24 250.152,25 7,26 1.418,27 0.852,28 4.623,29 34.142,30 81.584,31 81.584,32 0.946,33 1.308,34 16.464,35 18.117,36 0.087,37 3.952,38 1.164,39 2.975,40 5.941,41 5.941,42 3.744,43 0.076,44 0.076,45 13.807,46 4.756,47 20.274,48 424.1,49 1.404,50 4.206,51 1.581,52 664.77,53 0.05,54 1.376,55 3.798,56 217.582,57 1.564,58 47,59 2.056,60 2.056,61 240.384,62 13.349,63 138.881,64 1.567,65 1.567,66 1.72,67 11.028,68 17.5,69 3.793,70 46.671,71 12.645,72 5.856,73 1.263,74 19.018,75 19.018,76 19.018,77 19.018,78 19.018,79 19.411,80 1.64,81 1.001,82 1.001,83 18161,84 4.084,85 1458,86 48.735,87 3.636,88 8.416,89 3.839,90 3.903,91 218.316,92 524.452,93 1.15,94 424,95 0.168,96 0.168,97 36.222,98 16.009,99 49.53,100 -0.768,101 -0.768,102 1.797,103 15.209,104 15.209,105 15.209,106 15.209,107 15.209,108 9.371,109 1.538,110 3.964,111 3.457,112 46.846,113 452.012,114 117.745,115 3.983,116 4.13,117 4.984,118 3.408,119 1.133,120 0.133,121 5.119,122 32073,123 6.417,124 1.624,125 5.017,126 150,127 5.476,128 266.158,129 3.015,130 4.83,131 16.403,132 147.722,133 0.667,134 5,135 4.516,136 22.129,137 29,138 3.466,139 3.466,140 5.4}
{0 CHEMBL1982992,1 1,3 3.062,4 2.87,5 3.131,6 2.857,7 6.434,8 2.967,9 2.589,10 -0.111,11 62.034,12 9.48,13 4.927,14 1.126,15 2.746,16 3.077,17 96.702,18 2.923,19 2.747,20 4.672,21 3.344,22 0.143,23 2.639,24 131.877,25 2,26 0.883,27 -0.409,28 4.393,29 19.374,30 50.437,31 50.437,32 -1.065,33 0.766,34 10.245,35 10.664,36 -1.725,37 3.368,38 -0.553,39 2,40 4.995,41 4.995,42 2.464,43 -1.237,44 -1.237,45 8.737,46 4.109,47 12.317,48 309.476,49 0.912,50 3.217,51 1.126,52 495.98,53 -1.09,54 0.838,55 3.031,56 155.503,57 0.912,58 30.197,59 1.797,60 1.797,61 114.211,62 8.878,63 75.059,64 1.166,65 1.166,66 1.589,67 7.217,68 12,69 3.252,70 29.822,71 7.957,72 3.748,73 0.751,74 12.223,75 12.223,76 12.223,77 12.223,78 12.223,79 12.751,80 1.129,81 -3.111,82 -3.111,83 5263,84 3.64,85 348,86 30.225,87 3.111,88 7.045,89 2.958,90 3.066,91 127.05,92 301.761,93 0.808,94 318,95 -3.243,96 -3.243,97 20.261,98 10.833,99 30.954,100 -3.47,101 -3.47,102 0.741,103 9.888,104 9.888,105 9.888,106 9.888,107 9.888,108 5.219,109 -0.056,110 3.424,111 3.42,112 29.938,113 339.319,114 73.29,115 3.092,116 3.194,117 4.575,118 2.962,119 1.133,120 0.133,121 3.433,122 10158,123 3.917,124 0.314,125 4.575,126 96,127 5.03,128 122.211,129 2.713,130 4.148,131 10.022,132 75.22,133 0.667,134 5,135 2.81,136 13.389,137 18,138 3.045,139 3.045,140 5.4}
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{0 CHEMBL1983111,1 2,2 1,3 3.687,4 3.522,5 3.733,6 3.508,7 11.377,8 3.63,9 3.975,10 1.665,11 103.253,12 14.991,13 9.014,14 1.661,15 3.384,16 3.704,17 223.388,18 3.577,19 3.401,20 5.657,21 3.823,22 1.827,23 3.451,24 330.398,25 6,26 1.492,27 1.716,28 4.807,29 37.503,30 104.673,31 104.673,32 1.139,33 1.396,34 20.738,35 18.576,36 0.796,37 4.197,38 1.438,39 3.673,40 7.401,41 7.401,42 3.925,43 0.756,44 0.756,45 16.203,46 4.997,47 23.7,48 579.991,49 1.657,50 4.149,51 1.713,52 850.45,53 0.723,54 1.435,55 3.942,56 255.204,57 1.564,58 58.681,59 2.474,60 2.474,61 283.592,62 14.122,63 166.219,64 2.125,65 2.125,66 1.76,67 12.844,68 23.5,69 4.103,70 57.85,71 16.118,72 6.763,73 1.418,74 22.436,75 22.436,76 22.436,77 22.436,78 22.436,79 23.008,80 1.679,81 2.283,82 2.283,83 29382,84 4.258,85 2046,86 58.988,87 3.691,88 8.867,89 4.035,90 4.452,91 223.361,92 536.761,93 1.41,94 530,95 1.757,96 1.757,97 38.131,98 19.831,99 59.795,100 0.708,101 0.708,102 2.31,103 18.798,104 18.798,105 18.798,106 18.798,107 18.798,108 11.163,109 1.86,110 4.095,111 3.614,112 58.153,113 562.019,114 120.65,115 4.055,116 4.117,117 5.159,118 3.561,119 1.238,120 0.286,121 6.149,122 54812,123 7.111,124 1.953,125 5.252,126 190,127 5.746,128 309.566,129 3.432,130 5.057,131 20.562,132 182.849,133 0.6,134 11,135 6.401,136 21.535,137 34,138 3.664,139 3.664,140 6.1}
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{0 CHEMBL1983923,1 2,3 3.707,4 3.535,5 3.773,6 3.523,7 9.503,8 3.382,9 4.009,10 0.986,11 85.323,12 13.653,13 7.065,14 1.608,15 3.227,16 3.545,17 183.341,18 3.327,19 3.22,20 5.02,21 3.606,22 1.199,23 3.031,24 238.612,25 5,26 1.365,27 0.849,28 4.446,29 32.891,30 75.593,31 75.593,32 0.612,33 1.429,34 16.944,35 16.261,36 -0.103,37 3.882,38 0.771,39 3.12,40 6.016,41 6.016,42 3.907,43 -0.083,44 -0.083,45 13.653,46 4.76,47 20.103,48 403.916,49 1.487,50 3.922,51 1.555,52 593.86,53 -0.077,54 1.308,55 3.812,56 181.821,57 1.527,58 46.59,59 2.199,60 2.199,61 235.664,62 12.321,63 126.606,64 1.67,65 1.67,66 1.716,67 11.52,68 19,69 3.87,70 45.622,71 12.321,72 4.744,73 1.376,74 19.118,75 19.118,76 19.118,77 19.118,78 19.118,79 19.613,80 1.577,81 1.441,82 1.441,83 14511,84 4.074,85 1300,86 45.376,87 3.566,88 8.337,89 3.896,90 4.096,91 203.85,92 489.153,93 1.258,94 386,95 -0.244,96 -0.244,97 34.893,98 16.167,99 46.173,100 -0.346,101 -0.346,102 2.207,103 15.37,104 15.37,105 15.37,106 15.37,107 15.37,108 9.361,109 1.146,110 3.891,111 3.613,112 45.735,113 411.482,114 113.771,115 3.968,116 3.923,117 4.943,118 3.375,119 1,121 5.604,122 22786,123 6.111,124 2,125 4.99,126 146,127 5.442,128 263.315,129 3.114,130 4.775,131 16.191,132 140.656,133 1,134 5,135 4.243,136 19.347,137 28,138 3.466,139 3.466,140 5.4}
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{0 CHEMBL1983945,3 3.644,4 3.496,5 3.693,6 3.488,7 9.335,8 3.447,9 3.726,10 1.182,11 87.848,12 14.187,13 6.78,14 1.627,15 3.237,16 3.578,17 182.483,18 3.39,19 3.247,20 5.121,21 3.601,22 2.02,23 3.046,24 243.122,25 6,26 1.383,27 1.545,28 4.771,29 33.036,30 74.303,31 74.303,32 0.701,33 1.262,34 17.063,35 15.747,36 0.818,37 3.805,38 1,39 3.113,40 6.082,41 6.082,42 3.642,43 0.584,44 0.584,45 14.187,46 4.812,47 20.302,48 409.721,49 1.434,50 3.922,51 1.546,52 606.25,53 0.56,54 1.33,55 3.578,56 183.097,57 1.625,58 48.165,59 2.068,60 2.068,61 238.541,62 12.452,63 136.881,64 1.546,65 1.546,66 1.715,67 12.047,68 18.5,69 3.706,70 47.235,71 12.452,72 4.653,73 1.269,74 19.93,75 19.93,76 19.93,77 19.93,78 19.93,79 20.163,80 1.609,81 1.411,82 1.411,83 19011,84 4.107,85 1428,86 48.302,87 3.597,88 8.388,89 3.749,90 4.266,91 204.66,92 491.13,93 1.249,94 397,95 1.351,96 1.351,97 34.574,98 16.18,99 47.939,100 -0.519,101 -0.519,102 2.379,103 15.832,104 15.832,105 15.832,106 15.832,107 15.832,108 9.24,109 1.236,110 3.93,111 3.56,112 47.206,113 421.773,114 113.915,115 3.83,116 3.89,117 5.027,118 3.407,119 1.095,120 0.095,121 5.774,122 32567,123 6.417,124 2.305,125 5.017,126 150,127 5.468,128 266.193,129 3.048,130 4.83,131 16.511,132 150.56,133 0.75,134 4,135 4.521,136 20.054,137 29,138 3.497,139 3.497,140 5.4}
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{0 CHEMBL1988153,1 2,3 3.348,4 3.168,5 3.376,6 3.185,7 8.248,8 3.304,9 3.257,10 0.5,11 83.762,12 11.595,13 6.494,14 1.436,15 3.007,16 3.381,17 139.346,18 3.251,19 3.058,20 5.109,21 3.645,22 0.921,23 2.963,24 223.523,25 3,26 1.094,27 0.456,28 4.417,29 26.465,30 71.901,31 71.901,32 0.51,33 1.092,34 14.762,35 14.058,36 -0.625,37 3.8,38 0.672,39 2.947,40 6.168,41 6.168,42 3.252,43 -0.473,44 -0.473,45 12.398,46 4.616,47 17.348,48 542.863,49 1.135,50 3.548,51 1.181,52 808.87,53 -0.433,54 1.075,55 3.499,56 218.855,57 1.35,58 45.446,59 2.169,60 2.169,61 158.998,62 11.029,63 113.457,64 1.564,65 1.564,66 1.688,67 9.821,68 17.25,69 3.611,70 44.604,71 12.344,72 4.614,73 1.062,74 17.16,75 17.16,76 17.16,77 17.16,78 17.16,79 17.832,80 1.328,81 0.082,82 0.082,83 16315,84 3.997,85 1020,86 44.368,87 3.359,88 8.081,89 3.442,90 3.804,91 161.021,92 384.651,93 0.886,94 505,95 -1.162,96 -1.162,97 26.193,98 15.555,99 45.067,100 -1.773,101 -1.773,102 2.096,103 14.344,104 14.344,105 14.344,106 14.344,107 14.344,108 7.326,109 1,110 3.748,111 3.457,112 44.813,113 538.023,114 91.257,115 3.507,116 3.566,117 4.958,118 3.304,119 1.1,120 0.1,121 4.701,122 34553,123 5.417,124 1.359,125 4.977,126 144,127 5.442,128 168.608,129 3.108,130 4.67,131 14.216,132 127.61,133 0.75,134 7,135 4.736,136 16.165,137 26,138 3.401,139 3.401,140 5.4}
{0 CHEMBL1988163,1 3,2 1,3 3.643,4 3.477,5 3.641,6 3.549,7 9.347,8 3.395,9 3.504,10 0.872,11 87.026,12 13.398,13 7.253,14 1.6,15 3.115,16 3.446,17 132.666,18 3.329,19 3.144,20 5.055,21 3.731,22 1,23 2.996,24 223.664,25 4,26 1.412,27 0.42,28 4.139,29 28.358,30 72.388,31 72.388,32 0.153,33 1.107,34 14.577,35 14.388,36 -0.723,37 3.697,38 0.625,39 2.94,40 6.115,41 6.115,42 3.427,43 -0.537,44 -0.537,45 12.504,46 4.629,47 17.928,48 439.736,49 1.28,50 3.755,51 1.284,52 699.1,53 -0.511,54 1.359,55 3.522,56 220.435,57 1.482,58 44.465,59 2.1,60 2.1,61 169.685,62 13.461,63 116.211,64 1.52,65 1.52,66 1.69,67 10.199,68 17.25,69 3.664,70 44.095,71 12.074,72 4.791,73 1.062,74 17.419,75 17.419,76 17.419,77 17.419,78 17.419,79 17.851,80 1.599,83 13913,84 4.001,85 962,86 44.513,87 3.468,88 8.094,89 3.511,90 3.805,91 177.68,92 425.299,93 1.046,94 451,95 -1.294,96 -1.294,97 29.392,98 15.114,99 44.202,100 -1.794,101 -1.794,102 2.061,103 14.366,104 14.366,105 14.366,106 14.366,107 14.366,108 7.829,109 1.078,110 3.805,111 3.699,112 44.169,113 482.164,114 100.21,115 3.583,116 3.678,117 4.994,118 3.304,119 1.095,120 0.095,121 4.884,122 25628,123 5.5,124 1.306,125 4.963,126 142,127 5.425,128 198.905,129 3.05,130 4.675,131 14.928,132 127.073,133 0.75,134 9,135 4.457,136 18.398,137 26,138 3.401,139 3.401,140 7.4}
{0 CHEMBL1988173,3 3.562,4 3.366,5 3.62,6 3.395,7 9.666,8 3.353,9 3.818,10 0.805,11 91.902,12 14.485,13 7.28,14 1.432,15 3.221,16 3.564,17 162.645,18 3.332,19 3.202,20 5.082,21 3.665,22 1.543,23 3.012,24 248.307,25 5,26 1.238,27 1.086,28 3.974,29 33.25,30 83.82,31 83.82,32 1,33 1.149,34 16.721,35 17.22,36 0.198,37 4.04,38 1,39 3.108,40 5.905,41 5.905,42 3.672,43 0.156,44 0.156,45 13.908,46 4.772,47 19.915,48 420.741,49 1.404,50 4.112,51 1.509,52 653.05,53 0.136,54 1.218,55 3.82,56 203.03,57 1.387,58 46.953,59 2.122,60 2.122,61 194.75,62 13.327,63 120.881,64 1.593,65 1.593,66 1.722,67 11.452,68 17.25,69 4.005,70 46.15,71 12.511,72 4.877,73 1.163,74 19.247,75 19.247,76 19.247,77 19.247,78 19.247,79 19.607,80 1.461,81 1.051,82 1.051,83 17955,84 4.085,85 1409,86 48.186,87 3.602,88 8.424,89 3.783,90 3.939,91 215.26,92 516.993,93 1.203,94 421,95 0.341,96 0.341,97 35.284,98 15.896,99 47.965,100 -1.242,101 -1.242,102 2.208,103 15.25,104 15.25,105 15.25,106 15.25,107 15.25,108 8.867,109 1.268,110 3.918,111 3.729,112 46.42,113 448.133,114 119.157,115 3.935,116 4.039,117 4.987,118 3.408,119 1,121 5.387,122 32268,123 6.444,124 1.724,125 5.004,126 148,127 5.46,128 226.856,129 3.084,130 4.831,131 15.912,132 147.278,133 1,134 4,135 4.614,136 21.855,137 29,138 3.466,139 3.466,140 5.4}
{0 CHEMBL1988300,3 3.519,4 3.433,5 3.561,6 3.447,7 9.713,8 3.364,9 3.751,10 1.323,11 88.509,12 14.141,13 7.426,14 1.461,15 3.186,16 3.572,17 157.749,18 3.311,19 3.179,20 5.128,21 3.668,22 1.847,23 3.199,24 255.027,25 3,26 1.365,27 1.295,28 4.603,29 31.455,30 67.929,31 67.929,32 0.661,33 1.196,34 16.159,35 15.702,36 0.521,37 3.849,38 0.933,39 3.203,40 6.205,41 6.205,42 3.628,43 0.347,44 0.347,45 13.687,46 4.757,47 19.757,48 440.625,49 1.334,50 3.978,51 1.411,52 689.29,53 0.328,54 1.352,55 3.663,56 217.735,57 1.502,58 49.345,59 2.167,60 2.167,61 207.133,62 13.061,63 130.606,64 1.759,65 1.759,66 1.709,67 11.254,68 18,69 3.789,70 48.494,71 12.536,72 5.731,73 1.161,74 19.309,75 19.309,76 19.309,77 19.309,78 19.309,79 19.684,80 1.487,81 1.48,82 1.48,83 16000,84 4.088,85 1210,86 48.399,87 3.612,88 8.3,89 3.71,90 4.074,91 194.809,92 467.093,93 1.062,94 443,95 0.86,96 0.86,97 33.245,98 16.457,99 49.812,100 -0.103,101 -0.103,102 2.476,103 15.813,104 15.813,105 15.813,106 15.813,107 15.813,108 8.843,109 1.111,110 3.953,111 3.522,112 48.458,113 469.026,114 117.879,115 3.813,116 3.853,117 5.078,118 3.375,119 1.167,120 0.167,121 5.36,122 27802,123 6,124 2.185,125 5.056,126 156,127 5.517,128 233.133,129 3.131,130 4.777,131 16.676,132 140.678,133 0.6,134 5,135 4.449,136 19.441,137 28,138 3.497,139 3.497,140 5.4}
{0 CHEMBL1988370,1 2,3 3.816,4 3.711,5 3.854,6 3.705,7 12.349,8 3.788,9 4.227,10 1.882,11 103.709,12 16.742,13 9.709,14 1.751,15 3.598,16 3.802,17 231.057,18 3.73,19 3.59,20 5.393,21 3.81,22 2.222,23 3.354,24 331.844,25 7,26 1.577,27 1.923,28 4.668,29 40.67,30 91.658,31 91.658,32 1,33 1.521,34 21.158,35 19.437,36 1.196,37 4.121,38 1.243,39 3.471,40 7.062,41 7.062,42 4.105,43 0.953,44 0.953,45 16.742,46 5.051,47 25.068,48 466.863,49 1.724,50 4.36,51 1.806,52 703.39,53 0.922,54 1.507,55 3.963,56 239.479,57 1.688,58 58.673,59 2.492,60 2.492,61 303.415,62 15.071,63 162.974,64 2.163,65 2.163,66 1.762,67 14.176,68 22.75,69 4.053,70 58.337,71 15.071,72 7.351,73 1.523,74 23.739,75 23.739,76 23.739,77 23.739,78 23.739,79 24.21,80 1.793,81 2.392,82 2.392,83 24601,84 4.28,85 2358,86 58.598,87 3.835,88 8.871,89 4.174,90 4.69,91 243.689,92 586.362,93 1.486,94 450,95 2.136,96 2.136,97 43.381,98 20.132,99 58.84,100 1.928,101 1.928,102 2.5,103 19.353,104 19.353,105 19.353,106 19.353,107 19.353,108 12.217,109 1.522,110 4.184,111 3.743,112 58.422,113 476.739,114 137.395,115 4.301,116 4.354,117 5.179,118 3.561,119 1.067,120 0.067,121 6.834,122 38259,123 7.333,124 2.431,125 5.242,126 188,127 5.727,128 341.454,129 3.442,130 5.05,131 21.743,132 182.863,133 0.833,134 10,135 5.455,136 22.907,137 34,138 3.689,139 3.689,140 5.4}
{0 CHEMBL1988387,3 3.791,4 3.66,5 3.834,6 3.655,7 11.631,8 3.499,9 3.946,10 2.261,11 114.587,12 16.966,13 8.752,14 1.632,15 3.2,16 3.737,17 226.192,18 3.461,19 3.231,20 5.445,21 3.917,22 2.5,23 3.518,24 343.246,25 5,26 1.428,27 2,28 4.865,29 38.726,30 103.167,31 103.167,32 1,33 1.414,34 20.87,35 19.722,36 1.5,37 4.097,38 1.094,39 3.584,40 7.236,41 7.236,42 3.859,43 1,44 1,45 17.368,46 5.099,47 24.564,48 623.327,49 1.541,50 4.219,51 1.531,52 940.68,53 0.999,54 1.368,55 3.88,56 270.955,57 1.458,58 61.086,59 2.458,60 2.458,61 272.457,62 15.556,63 176.117,64 2.16,65 2.16,66 1.768,67 14.119,68 23.75,69 3.981,70 60.23,71 16.253,72 6.445,73 1.476,74 24.187,75 24.187,76 24.187,77 24.187,78 24.187,79 24.982,80 1.592,81 2.275,82 2.275,83 39748,84 4.319,85 2518,86 61.576,87 3.737,88 8.996,89 3.923,90 4.738,91 237.841,92 572.093,93 1.284,94 597,95 2.275,96 2.275,97 39.557,98 21.073,99 62.254,100 2.059,101 2.059,102 2.554,103 19.769,104 19.769,105 19.769,106 19.769,107 19.769,108 10.622,109 1.878,110 4.108,111 3.792,112 60.264,113 639.225,114 135.961,115 4.005,116 4.069,117 5.256,118 3.615,119 1.077,120 0.077,121 6.75,122 78456,123 7.75,124 2.5,125 5.273,126 194,127 5.733,128 290.457,129 3.4,130 5.136,131 20.068,132 200.722,133 0.8,134 6,135 5.799,136 24.01,137 36,138 3.714,139 3.714,140 5.7}
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{0 CHEMBL1988608,3 3.529,4 3.324,5 3.575,6 3.301,7 8.572,8 3.418,9 3.595,10 1.177,11 85.005,12 13.508,13 6.346,14 1.636,15 3.162,16 3.496,17 181.872,18 3.353,19 3.184,20 5.109,21 3.589,22 1.342,23 3.083,24 237.772,25 4,26 1.31,27 0.935,28 4.772,29 30.412,30 74.843,31 74.843,32 0.611,33 1.19,34 16.024,35 14.97,36 0.015,37 3.778,38 1.054,39 3.085,40 6.27,41 6.27,42 3.568,43 0.012,44 0.012,45 13.508,46 4.736,47 19.118,48 465.979,49 1.387,50 3.759,51 1.464,52 688.12,53 0.011,54 1.229,55 3.681,56 192.971,57 1.401,58 47.365,59 2.26,60 2.26,61 214.727,62 12.517,63 134.606,64 1.562,65 1.562,66 1.709,67 10.999,68 18.25,69 3.761,70 46.506,71 12.517,72 4.229,73 1.195,74 18.809,75 18.809,76 18.809,77 18.809,78 18.809,79 19.052,80 1.589,81 1.131,82 1.131,83 17877,84 4.067,85 1340,86 47.87,87 3.482,88 8.303,89 3.679,90 4.093,91 186.803,92 447.558,93 1.173,94 444,95 0.031,96 0.031,97 30.96,98 15.752,99 48.297,100 -0.391,101 -0.391,102 1.943,103 15.306,104 15.306,105 15.306,106 15.306,107 15.306,108 8.446,109 1.303,110 3.81,111 3.434,112 46.478,113 472.757,114 105.617,115 3.691,116 3.748,117 5.024,118 3.374,119 1.105,120 0.105,121 5.245,122 32837,123 6.056,124 1.765,125 5.017,126 150,127 5.509,128 236.379,129 3.231,130 4.78,131 15.591,132 142.403,133 0.75,134 4,135 4.475,136 19.673,137 28,138 3.466,139 3.466,140 5.4}
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{0 CHEMBL1988717,1 1,3 3.809,4 3.632,5 3.869,6 3.599,7 10.658,8 3.52,9 3.83,10 2.248,11 109.643,12 15.974,13 7.988,14 1.689,15 3.236,16 3.699,17 214.691,18 3.475,19 3.27,20 5.58,21 3.863,22 2.5,23 3.503,24 345.504,25 4,26 1.443,27 2,28 4.781,29 37.723,30 98.47,31 98.47,32 1.103,33 1.326,34 20.511,35 18.784,36 1.5,37 4.007,38 1.189,39 3.533,40 7.663,41 7.663,42 3.781,43 1,44 1,45 17.186,46 5.084,47 24.183,48 672.082,49 1.598,50 4.032,51 1.634,52 983.39,53 1,54 1.35,55 3.795,56 263.901,57 1.546,58 62.315,59 2.564,60 2.564,61 262.955,62 14.843,63 174.608,64 2.122,65 2.122,66 1.767,67 13.611,68 24.25,69 3.993,70 61.246,71 16.801,72 5.481,73 1.408,74 23.797,75 23.797,76 23.797,77 23.797,78 23.797,79 24.385,80 1.676,81 2.536,82 2.536,83 39968,84 4.316,85 2438,86 61.915,87 3.663,88 8.996,89 3.857,90 4.682,91 227.909,92 547.857,93 1.277,94 619,95 2.275,96 2.275,97 37.642,98 20.798,99 62.716,100 1.956,101 1.956,102 2.57,103 19.744,104 19.744,105 19.744,106 19.744,107 19.744,108 10.427,109 1.722,110 4.08,111 3.761,112 61.467,113 660.825,114 128.671,115 3.893,116 3.944,117 5.277,118 3.615,119 1.077,120 0.077,121 6.47,122 79490,123 7.583,124 2.549,125 5.293,126 198,127 5.759,128 289.71,129 3.521,130 5.141,131 19.838,132 200.645,133 0.8,134 9,135 6.436,136 22.949,137 36,138 3.714,139 3.714,140 5.4}
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{0 CHEMBL1989474,1 1,3 3.089,4 2.897,5 3.17,6 2.902,7 5.798,8 2.925,9 2.608,10 0.204,11 58.348,12 8.843,13 4.167,14 1.063,15 2.735,16 3.11,17 100.842,18 2.854,19 2.715,20 4.435,21 3.22,22 0.454,23 2.5,24 142.079,25 2,26 0.886,27 -0.074,28 4.228,29 20.576,30 47.85,31 47.85,32 -0.94,33 1.022,34 10.883,35 10.286,36 -1.5,37 3.297,38 -0.628,39 2,40 4.106,41 4.106,42 2.475,43 -1,44 -1,45 9.237,46 4.189,47 13.03,48 325.373,49 1.062,50 3.428,51 1.181,52 470.12,53 -1,54 0.821,55 2.493,56 127.848,57 1.217,58 32.026,59 1.644,60 1.644,61 126.842,62 7.7,63 76.711,64 1,65 1,66 1.608,67 7.749,68 12.5,69 2.965,70 31.514,71 8.322,72 2.804,73 0.996,74 12.93,75 12.93,76 12.93,77 12.93,78 12.93,79 13.214,80 1.107,81 -2.347,82 -2.347,83 5587,84 3.69,85 428,86 31.894,87 3.103,88 7.209,89 3.033,90 3.153,91 127.839,92 303.688,93 0.81,94 305,95 -2.946,96 -2.946,97 21.006,98 10.865,99 32.352,100 -3,101 -3,102 0.5,103 10.392,104 10.392,105 10.392,106 10.392,107 10.392,108 5.695,109 0.314,110 3.449,111 2.955,112 31.597,113 325.807,114 71.083,115 3.167,116 3.38,117 4.618,118 3.012,119 1,121 3.723,122 10085,123 4.167,124 0.5,125 4.615,126 100,127 5.069,128 134.452,129 2.586,130 4.218,131 10.388,132 81.004,133 1,134 8,135 2.929,136 12.372,137 19,138 3.091,139 3.091,140 5.6}
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{0 CHEMBL1989805,1 1,3 3.457,4 3.362,5 3.486,6 3.375,7 8.588,8 3.468,9 3.33,10 1.296,11 86.629,12 13.432,13 6.74,14 1.585,15 3.22,16 3.438,17 160.479,18 3.442,19 3.258,20 5.379,21 3.648,22 1.509,23 3.106,24 252.879,25 3,26 1.317,27 0.951,28 4.67,29 28.239,30 72.052,31 72.052,32 0.785,33 1.273,34 15.966,35 14.526,36 0.02,37 4.164,38 1.152,39 3,40 6.79,41 6.79,42 3.312,43 0.014,44 0.014,45 13.024,46 4.668,47 18.098,48 498.067,49 1.523,50 4.053,51 1.435,52 760.62,53 0.013,54 1.29,55 3.413,56 225.179,57 1.385,58 47.811,59 2.329,60 2.329,61 182.131,62 12.473,63 128.382,64 1.623,65 1.623,66 1.711,67 10.545,68 18,69 3.549,70 45.503,71 11.857,72 5.287,73 1.337,74 18.267,75 18.267,76 18.267,77 18.267,78 18.267,79 18.506,80 1.549,81 1.372,82 1.372,83 13857,84 4.029,85 967,86 51.482,87 3.427,88 8.256,89 3.537,90 3.645,91 175.951,92 421.08,93 1.22,94 484,95 0.029,96 0.029,97 28.534,98 15.159,99 47.812,100 -0.272,101 -0.272,102 2.118,103 14.724,104 14.724,105 14.724,106 14.724,107 14.724,108 7.707,109 1.581,110 3.827,111 3.536,112 45.56,113 514.563,114 98.22,115 3.582,116 3.86,117 5.04,118 3.342,119 1.105,120 0.105,121 4.871,122 26908,123 5.944,124 2.118,125 5.004,126 148,127 5.468,128 198.131,129 3.321,130 4.723,131 15.083,132 129.29,133 0.75,134 6,135 4.541,136 19.483,137 27,138 3.434,139 3.434,140 5.4}
{0 CHEMBL1989834,3 2.989,4 2.897,5 3.031,6 2.903,7 5.076,8 2.925,9 1.432,10 -0.36,11 48.647,12 7.86,13 3.638,14 1.062,15 2.735,16 3.011,17 72.211,18 2.854,19 2.715,20 3.845,21 3.04,22 -0.29,23 2.5,24 114.716,25 1,26 0.886,27 -0.751,28 3.287,29 17.865,30 38.886,31 38.886,32 -1.119,33 0.757,34 9.231,35 8.513,36 -2.301,37 2.76,38 -1,39 1.555,40 2.836,41 2.836,42 1.14,43 -1.716,44 -1.716,45 7.86,46 3.954,47 11.148,48 250.482,49 1.05,50 3.235,51 1.138,52 374.1,53 -1.638,54 0.821,55 0.527,56 108.962,57 0.928,58 27.415,59 1.266,60 1.266,61 85.457,62 6.885,63 60,64 1,65 1,66 1.557,67 6.658,68 9.75,69 1.996,70 27.161,71 6.885,72 2.646,73 0.723,74 11.121,75 11.121,76 11.121,77 11.121,78 11.121,79 11.234,80 1.107,81 -3.197,82 -3.197,83 3144,84 3.533,85 246,86 27.148,87 3.023,88 6.722,89 2.226,90 2.863,91 110.384,92 261.096,93 0.884,94 242,95 -4.749,96 -4.749,97 18.512,98 9.08,99 27.867,100 -4.789,101 -4.789,102 0.5,103 8.899,104 8.899,105 8.899,106 8.899,107 8.899,108 5.03,109 -0.451,110 3.367,111 2.905,112 27.211,113 255.8,114 61.907,115 2.4,116 2.978,117 4.489,118 2.856,119 1.133,120 0.133,121 3.144,122 5177,123 3.528,124 0.176,125 4.466,126 86,127 4.92,128 105.457,129 2.255,130 3.977,131 9.209,132 62.453,133 0.667,134 2,135 2.516,136 10.958,137 16,138 2.944,139 2.944,140 5.8}
{0 CHEMBL1989856,1 1,3 3.27,4 3.104,5 3.329,6 3.085,7 5.667,8 3.114,9 2,10 -0.207,11 57.657,12 9.185,13 4.226,14 1.245,15 2.8,16 3.103,17 110.241,18 3.039,19 2.806,20 4.648,21 3.197,22 0.203,23 2.806,24 153.121,25 1,26 0.97,27 -0.279,28 4.28,29 20.074,30 46.019,31 46.019,32 -0.834,33 0.961,34 11.047,35 10.084,36 -1.781,37 3.144,38 -0.509,39 2,40 4.432,41 4.432,42 1.749,43 -1.238,44 -1.238,45 9.185,46 4.153,47 12.776,48 335.208,49 1.134,50 3.406,51 1.159,52 505.45,53 -1.178,54 0.908,55 1.297,56 140.676,57 1.148,58 33.272,59 1.548,60 1.548,61 119.851,62 8.048,63 80.711,64 1,65 1,66 1.615,67 7.351,68 12.5,69 2.403,70 31.845,71 8.048,72 3.246,73 0.959,74 13,75 13,76 13,77 13,78 13,79 13.165,80 1.217,81 -2.218,82 -2.218,83 5010,84 3.686,85 338,86 36.307,87 3.085,88 7.248,89 2.555,90 2.933,91 124.912,92 296.545,93 0.934,94 321,95 -3.543,96 -3.543,97 20.21,98 10.508,99 35.107,100 -3.906,101 -3.906,102 0.681,103 10.189,104 10.189,105 10.189,106 10.189,107 10.189,108 5.591,109 0.623,110 3.479,111 3.189,112 31.896,113 341.714,114 68.799,115 2.675,116 3.129,117 4.734,118 3.014,119 1.308,120 0.308,121 3.234,122 9027,123 4.306,124 0.58,125 4.654,126 104,127 5.118,128 127.851,129 2.517,130 4.221,131 10.56,132 78.603,133 0.333,134 9,135 3.084,136 13.569,137 19,138 3.091,139 3.091,140 5.4}
{0 CHEMBL1990223,3 3.312,4 3.138,5 3.337,6 3.132,7 8.791,8 3.254,9 3.555,10 0.712,11 80.539,12 12.496,13 7.169,14 1.423,15 2.997,16 3.442,17 155.421,18 3.206,19 2.979,20 5.158,21 3.566,22 0.798,23 2.822,24 192.281,25 6,26 1.169,27 0.421,28 4.544,29 29.089,30 72.039,31 72.039,32 0.376,33 1.141,34 14.607,35 15.349,36 -0.621,37 3.582,38 0.55,39 2.547,40 6.29,41 6.29,42 3.465,43 -0.514,44 -0.514,45 11.919,46 4.555,47 17.518,48 355.959,49 1.318,50 3.764,51 1.423,52 554.42,53 -0.395,54 1.099,55 3.636,56 187.204,57 1.207,58 40.156,59 2.135,60 2.135,61 199.95,62 11.946,63 114.096,64 1.43,65 1.43,66 1.673,67 9.492,68 15.75,69 3.612,70 39.634,71 11.205,72 5.143,73 1.14,74 16.394,75 16.394,76 16.394,77 16.394,78 16.394,79 16.843,80 1.423,83 14670,84 3.94,85 931,86 41.623,87 3.472,88 7.938,89 3.564,90 3.83,91 185.802,92 445.116,93 1.071,94 356,95 -1.351,96 -1.351,97 30.699,98 14.169,99 41.34,100 -1.657,101 -1.657,102 1.238,103 13.296,104 13.296,105 13.296,106 13.296,107 13.296,108 8.001,109 1.239,110 3.787,111 3.421,112 39.939,113 382.164,114 99.199,115 3.699,116 3.753,117 4.804,118 3.266,119 1,121 4.533,122 27740,123 5.417,124 1,125 4.875,126 130,127 5.371,128 217.46,129 3.077,130 4.612,131 14.435,132 124.078,133 1,134 6,135 3.914,136 18.974,137 25,138 3.332,139 3.332,140 5.4}
{0 CHEMBL1990254,3 3.516,4 3.335,5 3.591,6 3.329,7 7.84,8 3.273,9 3.42,10 0.596,11 72.49,12 11.775,13 5.486,14 1.414,15 2.986,16 3.412,17 130.905,18 3.215,19 3.013,20 4.442,21 3.395,22 0.794,23 2.57,24 184.743,25 5,26 1.107,27 0.42,28 3.919,29 27.993,30 61.425,31 61.425,32 0.093,33 1.107,34 14.399,35 13.223,36 -0.781,37 3.472,38 0.808,39 2.379,40 4.443,41 4.443,42 3.302,43 -0.594,44 -0.594,45 11.775,46 4.536,47 16.836,48 314.143,49 1.087,50 3.836,51 1.296,52 466.94,53 -0.598,54 1.066,55 3.158,56 144.184,57 1.411,58 38.189,59 1.812,60 1.812,61 168.521,62 9.852,63 98.039,64 1.157,65 1.157,66 1.666,67 10.109,68 14.5,69 3.342,70 37.909,71 9.852,72 3.904,73 1.062,74 16.629,75 16.629,76 16.629,77 16.629,78 16.629,79 16.742,80 1.382,81 -0.838,82 -0.838,83 10552,84 3.913,85 808,86 38.944,87 3.446,88 7.845,89 3.455,90 3.714,91 175.542,92 420.083,93 0.886,94 306,95 -1.368,96 -1.368,97 29.563,98 12.942,99 38.93,100 -1.963,101 -1.963,102 1.361,103 12.781,104 12.781,105 12.781,106 12.781,107 12.781,108 7.778,109 1,110 3.746,111 3.398,112 37.852,113 323.889,114 94.747,115 3.564,116 3.724,117 4.792,118 3.228,119 1,121 4.713,122 17360,123 5.5,124 1.044,125 4.796,126 120,127 5.242,128 198.574,129 2.793,130 4.556,131 13.515,132 115.532,133 1,134 4,135 3.679,136 16.778,137 24,138 3.296,139 3.296,140 5.4}
{0 CHEMBL1990288,1 4,2 1,3 3.766,4 3.609,5 3.815,6 3.576,7 9.553,8 3.496,9 3.819,10 1.698,11 92.111,12 14.293,13 6.914,14 1.638,15 3.27,16 3.586,17 171.998,18 3.423,19 3.261,20 5.278,21 3.679,22 2.333,23 3.1,24 281.993,25 5,26 1.406,27 1.92,28 4.57,29 32.893,30 77.368,31 77.368,32 1,33 1.276,34 17.595,35 16.158,36 1.29,37 4.055,38 1,39 3.414,40 6.591,41 6.591,42 3.752,43 0.951,44 0.951,45 14.687,46 4.859,47 20.922,48 516.641,49 1.603,50 4.055,51 1.591,52 760.26,53 0.918,54 1.339,55 3.762,56 214.499,57 1.437,58 52.027,59 2.258,60 2.258,61 219.349,62 12.634,63 139.207,64 1.727,65 1.727,66 1.732,67 12.286,68 20.5,69 3.917,70 51.299,71 13.255,72 4.923,73 1.296,74 20.723,75 20.723,76 20.723,77 20.723,78 20.723,79 21.124,80 1.623,81 2.253,82 2.253,83 19018,84 4.152,85 1526,86 51.575,87 3.578,88 8.528,89 3.887,90 4.176,91 198.464,92 476.013,93 1.313,94 487,95 2.136,96 2.136,97 33.75,98 17.549,99 52.48,100 0.677,101 0.677,102 2.5,103 16.83,104 16.83,105 16.83,106 16.83,107 16.83,108 9.41,109 1.161,110 3.949,111 3.723,112 51.421,113 515.152,114 112.445,115 3.942,116 4.04,117 5.104,118 3.441,119 1.077,120 0.077,121 5.876,122 34043,123 6.5,124 2.436,125 5.106,126 164,127 5.565,128 244.568,129 3.199,130 4.876,131 17.26,132 152.882,133 0.8,134 11,135 4.77,136 19.631,137 30,138 3.555,139 3.555,140 7.3}
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{0 CHEMBL1996345,1 2,3 3.32,4 3.187,5 3.372,6 3.216,7 7.747,8 3.147,9 3.189,10 0.308,11 67.591,12 10.667,13 6.256,14 1.307,15 2.903,16 3.277,17 131.464,18 3.058,19 2.885,20 4.91,21 3.433,22 0.52,23 2.905,24 175.574,25 1,26 1.107,27 0.116,28 4.359,29 23.401,30 54.655,31 54.655,32 -0.382,33 1.158,34 12.736,35 12.151,36 -1.114,37 3.486,38 0.144,39 2.379,40 5.171,41 5.171,42 3.005,43 -0.84,44 -0.84,45 10.258,46 4.334,47 14.951,48 351.856,49 1.205,50 3.525,51 1.243,52 553.97,53 -0.798,54 1.048,55 2.68,56 177.348,57 1.157,58 38.044,59 1.778,60 1.778,61 148.219,62 9.98,63 92.239,64 1.532,65 1.532,66 1.636,67 8.408,68 14.25,69 3.289,70 36.663,71 9.338,72 4.978,73 1.131,74 14.541,75 14.541,76 14.541,77 14.541,78 14.541,79 14.965,80 1.296,81 -1.939,82 -1.939,83 6685,84 3.804,85 536,86 39.371,87 3.317,88 7.5,89 3.302,90 3.332,91 146.765,92 349.867,93 1.054,94 353,95 -2.016,96 -2.016,97 24.722,98 12.597,99 37.881,100 -2.625,101 -2.625,102 1.082,103 11.814,104 11.814,105 11.814,106 11.814,107 11.814,108 6.933,109 0.628,110 3.675,111 3.376,112 36.652,113 373.32,114 83.064,115 3.41,116 3.471,117 4.802,118 3.105,119 1.222,120 0.222,121 3.939,122 11312,123 4.556,124 0.65,125 4.779,126 118,127 5.242,128 158.974,129 2.698,130 4.365,131 12.867,132 92.525,133 0.5,134 8,135 3.385,136 14.751,137 21,138 3.219,139 3.219,140 5.4}
{0 CHEMBL1996390,3 3.01,4 2.885,5 3.013,6 2.902,7 6.234,8 3,9 2.126,10 0.075,11 58.261,12 9.162,13 4.964,14 1.062,15 2.735,16 3.119,17 84.872,18 2.953,19 2.742,20 4.074,21 3.263,22 0.47,23 2.543,24 133.8,25 2,26 0.886,27 -0.066,28 3.856,29 19.745,30 44.55,31 44.55,32 -1,33 0.9,34 10.314,35 10.146,36 -1.5,37 3.272,38 -0.87,39 1.756,40 3.583,41 3.583,42 2.085,43 -1,44 -1,45 8.754,46 4.109,47 12.407,48 289.522,49 1.05,50 3.374,51 1.139,52 457.99,53 -1,54 0.821,55 2.154,56 143.759,57 0.936,58 30.719,59 1.493,60 1.493,61 104.117,62 8.535,63 71.059,64 1,65 1,66 1.591,67 7.31,68 11,69 2.708,70 30.344,71 7.892,72 3.8,73 0.854,74 12.276,75 12.276,76 12.276,77 12.276,78 12.276,79 12.504,80 1.107,81 -2.347,82 -2.347,83 4839,84 3.64,85 334,86 31.203,87 3.164,88 7.052,89 2.659,90 3.035,91 125.382,92 297.691,93 0.828,94 294,95 -2.874,96 -2.874,97 20.608,98 10.297,99 31.077,100 -3.986,101 -3.986,102 0.5,103 9.894,104 9.894,105 9.894,106 9.894,107 9.894,108 5.443,109 0.426,110 3.483,111 3.131,112 30.332,113 312.549,114 70.958,115 2.795,116 3.211,117 4.605,118 2.962,119 1.133,120 0.133,121 3.472,122 8765,123 3.944,124 0.5,125 4.575,126 96,127 5.03,128 117.627,129 2.443,130 4.141,131 10.256,132 74.66,133 0.667,134 4,135 2.859,136 12.889,137 18,138 3.045,139 3.045,140 5.7}
{0 CHEMBL1996500,1 2,2 1,3 3.675,4 3.524,5 3.727,6 3.523,7 9.316,8 3.391,9 3.909,10 1.059,11 90.305,12 13.422,13 7.571,14 1.515,15 3.153,16 3.555,17 198.488,18 3.324,19 3.17,20 5.422,21 3.673,22 1.361,23 3.182,24 283.147,25 5,26 1.318,27 0.972,28 4.919,29 32.824,30 86.006,31 86.006,32 0.81,33 1.308,34 16.973,35 16.688,36 0.063,37 4.203,38 0.884,39 3.318,40 7.034,41 7.034,42 3.827,43 0.05,44 0.05,45 14.226,46 4.809,47 20.518,48 529.824,49 1.366,50 4.053,51 1.548,52 770.18,53 0.045,54 1.267,55 3.869,56 216.079,57 1.607,58 51.18,59 2.367,60 2.367,61 245.928,62 13.003,63 145.207,64 1.795,65 1.795,66 1.736,67 11.229,68 20.5,69 4.119,70 50.476,71 14.164,72 4.482,73 1.303,74 19.602,75 19.602,76 19.602,77 19.602,78 19.602,79 20.164,80 1.523,81 1.513,82 1.513,83 18168,84 4.131,85 1598,86 51.337,87 3.54,88 8.55,89 4.047,90 3.917,91 200.52,92 481.03,93 1.114,94 492,95 0.124,96 0.124,97 33.455,98 17.302,99 52.31,100 -0.707,101 -0.707,102 2.184,103 16.298,104 16.298,105 16.298,106 16.298,107 16.298,108 9.144,109 1.322,110 3.93,111 3.559,112 50.539,113 524.19,114 108.951,115 4.082,116 4.092,117 5.072,118 3.441,119 1.095,120 0.095,121 5.351,122 32814,123 6.319,124 1.762,125 5.106,126 164,127 5.572,128 257.928,129 3.299,130 4.874,131 16.796,132 151.054,133 0.75,134 5,135 4.915,136 19.725,137 30,138 3.526,139 3.526,140 6.8}
{0 CHEMBL1996510,1 3,2 1,3 3.76,4 3.59,5 3.783,6 3.579,7 10.598,8 3.435,9 4.188,10 2,11 98.13,12 15.704,13 7.908,14 1.624,15 3.232,16 3.673,17 197.139,18 3.375,19 3.237,20 5.659,21 3.751,22 2.166,23 3.166,24 334.633,25 3,26 1.376,27 1.967,28 4.431,29 35.246,30 82.435,31 82.435,32 1.146,33 1.429,34 19.517,35 17.183,36 1.08,37 4.348,38 1.303,39 3.57,40 7.191,41 7.191,42 4.108,43 1,44 1,45 15.704,46 4.952,47 22.666,48 531.076,49 1.525,50 4.215,51 1.513,52 804.91,53 0.965,54 1.335,55 4.051,56 241.031,57 1.617,58 57.346,59 2.193,60 2.193,61 230.423,62 14.296,63 156,64 1.832,65 1.832,66 1.755,67 13.079,68 22.25,69 4.25,70 56.922,71 14.296,72 6.018,73 1.407,74 22.275,75 22.275,76 22.275,77 22.275,78 22.275,79 22.627,80 1.571,81 2.604,82 2.604,83 19370,84 4.226,85 1688,86 58.937,87 3.669,88 8.755,89 4.235,90 4.173,91 210.256,92 504.784,93 1.228,94 510,95 2.136,96 2.136,97 36.273,98 18.872,99 58.251,100 2.036,101 2.036,102 2.576,103 18.319,104 18.319,105 18.319,106 18.319,107 18.319,108 10.453,109 1.537,110 4.083,111 3.659,112 56.857,113 537.649,114 120.843,115 4.277,116 4.258,117 5.2,118 3.504,119 1.133,120 0.133,121 6.223,122 33761,123 6.861,124 2.371,125 5.209,126 182,127 5.673,128 262.423,129 3.194,130 4.973,131 19.498,132 162.542,133 0.667,134 11,135 5.366,136 21.656,137 32,138 3.638,139 3.638,140 5.4}
{0 CHEMBL1996543,3 3.609,4 3.469,5 3.672,6 3.474,7 8.832,8 3.435,9 3.594,10 0.937,11 82.137,12 12.793,13 6.551,14 1.616,15 3.206,16 3.525,17 169.152,18 3.37,19 3.211,20 5.019,21 3.55,22 1.177,23 3.045,24 223.402,25 6,26 1.371,27 0.773,28 4.65,29 30.904,30 71.765,31 71.765,32 0.677,33 1.167,34 15.922,35 14.731,36 -0.189,37 3.644,38 0.988,39 3.019,40 6.004,41 6.004,42 3.495,43 -0.15,44 -0.15,45 13.187,46 4.706,47 19.004,48 395.506,49 1.26,50 3.867,51 1.573,52 578.45,53 -0.134,54 1.305,55 3.445,56 176.171,57 1.608,58 44.998,59 2.167,60 2.167,61 218.536,62 11.155,63 124.382,64 1.546,65 1.546,66 1.695,67 11.058,68 17,69 3.509,70 44.559,71 11.777,72 4.512,73 1.169,74 18.516,75 18.516,76 18.516,77 18.516,78 18.516,79 18.83,80 1.61,81 1.151,82 1.151,83 15892,84 4.04,85 1105,86 45.327,87 3.542,88 8.178,89 3.568,90 4.068,91 188.532,92 451.777,93 1.045,94 376,95 -0.333,96 -0.333,97 32.262,98 15.375,99 45.441,100 -0.815,101 -0.815,102 2.086,103 14.835,104 14.835,105 14.835,106 14.835,107 14.835,108 8.727,109 1.155,110 3.888,111 3.489,112 44.591,113 398.893,114 103.791,115 3.664,116 3.779,117 4.945,118 3.339,119 1.095,120 0.095,121 5.289,122 27757,123 5.917,124 1.687,125 4.963,126 142,127 5.416,128 245.066,129 3.11,130 4.73,131 15.683,132 136.561,133 0.75,134 4,135 4.25,136 17.769,137 27,138 3.434,139 3.434,140 5.4}
{0 CHEMBL1996576,1 1,3 3.577,4 3.418,5 3.631,6 3.411,7 10.805,8 3.472,9 3.792,10 1.472,11 96.973,12 14.183,13 8.532,14 1.584,15 3.203,16 3.678,17 208.399,18 3.439,19 3.218,20 5.45,21 3.76,22 1.953,23 3.339,24 303.457,25 3,26 1.324,27 1.584,28 4.624,29 35.965,30 93.624,31 93.624,32 1,33 1.429,34 19.361,35 17.466,36 0.795,37 3.909,38 1.077,39 3.55,40 7.182,41 7.182,42 3.697,43 0.62,44 0.62,45 15.329,46 4.919,47 22.529,48 530.67,49 1.459,50 4.265,51 1.527,52 783.35,53 0.596,54 1.288,55 3.661,56 236.9,57 1.531,58 55.853,59 2.508,60 2.508,61 258.947,62 12.814,63 147.245,64 2.018,65 2.018,66 1.739,67 12.18,68 21.25,69 3.762,70 55.053,71 15.171,72 6.613,73 1.422,74 21.333,75 21.333,76 21.333,77 21.333,78 21.333,79 21.965,80 1.539,81 2.275,82 2.275,83 26543,84 4.209,85 1710,86 55.567,87 3.677,88 8.66,89 3.864,90 4.33,91 212.57,92 510.432,93 1.183,94 485,95 1.582,96 1.582,97 36.875,98 18.927,99 56.502,100 0.567,101 0.567,102 2.474,103 17.774,104 17.774,105 17.774,106 17.774,107 17.774,108 10.622,109 1.464,110 4.101,111 3.513,112 55.387,113 515.111,114 115.487,115 4,116 4.125,117 5.124,118 3.502,119 1.208,120 0.167,121 5.766,122 49855,123 6.694,124 2,125 5.198,126 180,127 5.666,128 284.457,129 3.461,130 4.968,131 19.535,132 170.03,133 0.4,134 7,135 5.939,136 19.847,137 32,138 3.611,139 3.611,140 5.4}
{0 CHEMBL1996587,1 3,3 3.655,4 3.525,5 3.708,6 3.531,7 9.779,8 3.4,9 3.946,10 1.37,11 91.556,12 13.582,13 8.159,14 1.686,15 3.196,16 3.582,17 193.671,18 3.341,19 3.2,20 5.742,21 3.704,22 1.456,23 3.065,24 298.554,25 4,26 1.458,27 1.251,28 4.861,29 32.824,30 86.006,31 86.006,32 0.986,33 1.315,34 17.718,35 16.602,36 0.378,37 4.141,38 1.006,39 3.369,40 7.643,41 7.643,42 3.894,43 0.361,44 0.361,45 14.386,46 4.818,47 20.921,48 548.852,49 1.386,50 4.072,51 1.591,52 802.67,53 0.316,54 1.396,55 3.948,56 236.91,57 1.499,58 52.92,59 2.356,60 2.356,61 243.073,62 12.753,63 145.207,64 1.713,65 1.713,66 1.736,67 11.234,68 20.25,69 4.074,70 52.67,71 13.914,72 5.521,73 1.338,74 20.135,75 20.135,76 20.135,77 20.135,78 20.135,79 20.57,80 1.663,81 1.547,82 1.547,83 17753,84 4.144,85 1438,86 53.93,87 3.57,88 8.552,89 4.03,90 3.933,91 196.054,92 470.133,93 1.216,94 508,95 0.679,96 0.679,97 33.455,98 17.491,99 55.236,100 0.444,101 0.444,102 2.13,103 16.679,104 16.679,105 16.679,106 16.679,107 16.679,108 9.602,109 1.39,110 4.003,111 3.534,112 52.723,113 539.281,114 108.614,115 4.088,116 4.118,117 5.107,118 3.442,119 1.174,120 0.174,121 5.215,122 32382,123 6.347,124 2.042,125 5.153,126 172,127 5.624,128 256.683,129 3.312,130 4.88,131 17.967,132 150.141,133 0.6,134 11,135 5.077,136 19.303,137 30,138 3.555,139 3.555,140 5.9}
{0 CHEMBL1996646,1 1,2 1,3 3.475,4 3.322,5 3.533,6 3.306,7 10.73,8 3.388,9 4.229,10 1.41,11 95.125,12 14.962,13 7.968,14 1.558,15 3.097,16 3.638,17 197.135,18 3.303,19 3.104,20 5.164,21 3.711,22 1.576,23 3.26,24 270.068,25 7,26 1.26,27 1.27,28 4.377,29 35.664,30 90.051,31 90.051,32 0.916,33 1.491,34 18.72,35 18.129,36 0.452,37 4.021,38 1,39 3.031,40 6.159,41 6.159,42 4.124,43 0.396,44 0.396,45 14.673,46 4.851,47 21.6,48 430.249,49 1.516,50 4.126,51 1.574,52 653.95,53 0.342,54 1.182,55 4.14,56 207.065,57 1.349,58 48.259,59 2.093,60 2.093,61 249.481,62 13.096,63 135.207,64 1.941,65 1.941,66 1.735,67 12.34,68 19.75,69 4.09,70 48.301,71 12.688,72 5.794,73 1.459,74 20.756,75 20.756,76 20.756,77 20.756,78 20.756,79 21.467,80 1.565,81 0.884,82 0.884,83 17249,84 4.141,85 1616,86 49.488,87 3.665,88 8.547,89 4.083,90 4.106,91 221.904,92 533.206,93 1.227,94 419,95 0.578,96 0.578,97 37.926,98 17.234,99 49.945,100 0.42,101 0.42,102 2,103 16.201,104 16.201,105 16.201,106 16.201,107 16.201,108 10.231,109 1.436,110 4.003,111 3.621,112 48.382,113 446.726,114 122.805,115 4.173,116 4.129,117 4.978,118 3.441,119 1.091,120 0.091,121 5.715,122 27971,123 6.778,124 1.653,125 5.056,126 156,127 5.509,128 277.455,129 3.032,130 4.879,131 17.698,132 152.93,133 0.75,134 8,135 4.617,136 21.424,137 30,138 3.526,139 3.526,140 5.4}
{0 CHEMBL1996649,3 3.776,4 3.589,5 3.849,6 3.59,7 13.374,8 3.628,9 4.181,10 2.218,11 119.519,12 18.449,13 9.593,14 1.746,15 3.368,16 3.837,17 267.904,18 3.559,19 3.372,20 5.385,21 3.937,22 2.449,23 3.446,24 353.023,25 10,26 1.515,27 2,28 4.887,29 43.977,30 115.792,31 115.792,32 1.112,33 1.568,34 22.862,35 22.2,36 1.425,37 4.193,38 1.275,39 3.479,40 6.999,41 6.999,42 4.086,43 1,44 1,45 18.389,46 5.174,47 26.618,48 563.626,49 1.596,50 4.377,51 1.79,52 848.49,53 0.998,54 1.447,55 4.123,56 264.603,57 1.658,58 60.223,59 2.445,60 2.445,61 337.224,62 16.031,63 191.421,64 2.092,65 2.092,66 1.784,67 15.207,68 24.25,69 4.105,70 59.923,71 16.14,72 7.25,73 1.584,74 25.739,75 25.739,76 25.739,77 25.739,78 25.739,79 26.368,80 1.761,81 2.585,82 2.585,83 40593,84 4.36,85 3292,86 61.968,87 3.874,88 9.162,89 4.108,90 4.868,91 275.741,92 664.568,93 1.411,94 547,95 2.275,96 2.275,97 46.427,98 21.015,99 63.082,100 2.008,101 2.008,102 2.56,103 20.097,104 20.097,105 20.097,106 20.097,107 20.097,108 12.407,109 1.723,110 4.189,111 3.655,112 59.906,113 580.866,114 151.843,115 4.207,116 4.265,117 5.234,118 3.667,119 1.095,120 0.095,121 7.053,122 69000,123 8.583,124 2.5,125 5.273,126 194,127 5.727,128 371.224,129 3.365,130 5.209,131 21.46,132 215.938,133 0.75,134 9,135 5.971,136 26.554,137 38,138 3.738,139 3.738,140 5.4}
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{0 CHEMBL1997007,1 1,2 1,3 3.496,4 3.315,5 3.576,6 3.321,7 8.202,8 3.425,9 3.511,10 0.658,11 72.953,12 11.707,13 5.546,14 1.576,15 3.142,16 3.389,17 168.24,18 3.359,19 3.167,20 5.018,21 3.428,22 0.866,23 2.603,24 186.784,25 6,26 1.371,27 0.419,28 4.667,29 28.036,30 68.226,31 68.226,32 0.179,33 1.26,34 14.588,35 13.888,36 -0.721,37 3.408,38 0.4,39 2.346,40 5.976,41 5.976,42 3.358,43 -0.541,44 -0.541,45 11.707,46 4.522,47 16.959,48 354.186,49 1.486,50 3.724,51 1.631,52 525.01,53 -0.515,54 1.294,55 3.214,56 153.818,57 1.405,58 37.796,59 2.036,60 2.036,61 210.014,62 9.997,63 106.039,64 1.178,65 1.178,66 1.664,67 9.95,68 15.75,69 3.329,70 37.708,71 9.997,72 3.768,73 1.259,74 16.533,75 16.533,76 16.533,77 16.533,78 16.533,79 16.812,80 1.603,81 -0.078,82 -0.078,83 10325,84 3.911,85 794,86 38.947,87 3.41,88 7.834,89 3.49,90 3.683,91 175.801,92 420.714,93 1.22,94 339,95 -1.311,96 -1.311,97 29.574,98 13.213,99 39.697,100 -1.794,101 -1.794,102 1.356,103 12.752,104 12.752,105 12.752,106 12.752,107 12.752,108 8.103,109 0.968,110 3.721,111 3.365,112 37.718,113 358.052,114 94.162,115 3.622,116 3.683,117 4.787,118 3.228,119 1.133,120 0.133,121 4.598,122 16187,123 5.5,124 1.282,125 4.812,126 122,127 5.263,128 223.624,129 2.984,130 4.553,131 13.497,132 115.754,133 0.667,134 8,135 3.657,136 16.941,137 24,138 3.296,139 3.296,140 5.6}
{0 CHEMBL1997023,3 3.159,4 2.972,5 3.199,6 2.994,7 5.862,8 3.009,9 2.083,10 -0.157,11 58.842,12 8.94,13 4.72,14 1.239,15 2.801,16 3.022,17 112.617,18 2.9,19 2.771,20 4.302,21 3.286,22 -0.102,23 2.522,24 126.456,25 3,26 0.934,27 -0.434,28 4.185,29 19.503,30 55.264,31 55.264,32 -0.631,33 0.828,34 10.157,35 10.615,36 -1.99,37 3.417,38 -0.6,39 1.52,40 3.861,41 3.861,42 2.074,43 -1.449,44 -1.449,45 8.486,46 4.056,47 12.003,48 309.34,49 1.165,50 3.402,51 1.275,52 476.57,53 -1.413,54 0.864,55 2.578,56 138.044,57 1.174,58 29.391,59 1.439,60 1.439,61 121.372,62 8.631,63 73.059,64 1,65 1,66 1.594,67 6.673,68 11.75,69 3.167,70 28.834,71 8.047,72 3.156,73 0.814,74 11.569,75 11.569,76 11.569,77 11.569,78 11.569,79 11.853,80 1.308,81 -2.55,82 -2.55,83 5083,84 3.606,85 368,86 30.245,87 3.027,88 7.065,89 2.873,90 2.895,91 127.438,92 302.708,93 0.885,94 307,95 -3.912,96 -3.912,97 20.074,98 9.761,99 30.164,100 -4.733,101 -4.733,102 0.452,103 9.341,104 9.341,105 9.341,106 9.341,107 9.341,108 5.043,109 0.283,110 3.367,111 3.172,112 28.843,113 331.879,114 69.577,115 2.878,116 3.335,117 4.527,118 2.961,119 1.222,120 0.222,121 3.133,122 9548,123 3.944,125 4.533,126 92,127 4.99,128 123.372,129 2.379,130 4.142,131 9.375,132 74.909,133 0.5,134 2,135 2.803,136 13.638,137 18,138 2.996,139 2.996,140 5.4}
{0 CHEMBL1997025,3 3.452,4 3.264,5 3.505,6 3.237,7 8.423,8 3.321,9 3.349,10 0.739,11 75.835,12 11.72,13 6.434,14 1.461,15 3.067,16 3.447,17 166.666,18 3.262,19 3.088,20 4.963,21 3.488,22 0.902,23 2.912,24 214.798,25 3,26 1.174,27 0.424,28 4.652,29 28.398,30 70.794,31 70.794,32 0.319,33 1.294,34 15.037,35 13.681,36 -0.62,37 3.547,38 0.588,39 2.76,40 5.443,41 5.443,42 3.297,43 -0.544,44 -0.544,45 12.131,46 4.579,47 17.645,48 383.012,49 1.335,50 3.813,51 1.43,52 567.11,53 -0.499,54 1.122,55 3.353,56 175.342,57 1.31,58 42.926,59 1.914,60 1.914,61 204.705,62 10.567,63 116.096,64 1.449,65 1.449,66 1.679,67 9.958,68 16.25,69 3.506,70 42.543,71 11.107,72 4.795,73 1.269,74 16.999,75 16.999,76 16.999,77 16.999,78 16.999,79 17.197,80 1.441,81 -0.259,82 -0.259,83 11313,84 3.965,85 852,86 43.625,87 3.46,88 7.974,89 3.453,90 3.706,91 172.404,92 412.425,93 1.058,94 363,95 -1.335,96 -1.335,97 29.506,98 14.186,99 43.774,100 -1.427,101 -1.427,102 1.939,103 13.832,104 13.832,105 13.832,106 13.832,107 13.832,108 8.319,109 1.139,110 3.846,111 3.392,112 42.584,113 383.874,114 93.722,115 3.494,116 3.66,117 4.883,118 3.267,119 1.095,120 0.095,121 4.711,122 19061,123 5.417,124 1.204,125 4.92,126 136,127 5.38,128 228.215,129 2.882,130 4.614,131 15.066,132 120.013,133 0.75,134 4,135 4.137,136 16.518,137 25,138 3.367,139 3.367,140 5.4}
{0 CHEMBL1997129,3 3.418,4 3.264,5 3.489,6 3.268,7 7.991,8 3.322,9 3.46,10 0.749,11 72.651,12 11.793,13 5.795,14 1.41,15 3.13,16 3.421,17 140.851,18 3.266,19 3.126,20 5.016,21 3.427,22 0.93,23 2.826,24 195.238,25 3,26 1.256,27 0.579,28 4.461,29 27.467,30 58.979,31 58.979,32 0.285,33 1.143,34 14.451,35 13.121,36 -0.514,37 3.489,38 0.6,39 2.551,40 5.642,41 5.642,42 3.348,43 -0.409,44 -0.409,45 11.793,46 4.546,47 17.054,48 347.045,49 1.306,50 3.689,51 1.447,52 518.08,53 -0.404,54 1.207,55 3.256,56 157.655,57 1.392,58 41.181,59 1.925,60 1.925,61 182.905,62 10.438,63 106.039,64 1.478,65 1.478,66 1.666,67 10.012,68 15.25,69 3.403,70 40.334,71 10.438,72 4.143,73 1.16,74 16.654,75 16.654,76 16.654,77 16.654,78 16.654,79 16.812,80 1.429,81 -0.694,82 -0.694,83 10582,84 3.932,85 812,86 41.511,87 3.447,88 7.846,89 3.503,90 3.785,91 168.149,92 402.043,93 1.06,94 337,95 -0.989,96 -0.989,97 28.801,98 13.608,99 40.737,100 -1.686,101 -1.686,102 2.054,103 13.376,104 13.376,105 13.376,106 13.376,107 13.376,108 7.924,109 1.011,110 3.784,111 3.318,112 40.316,113 355.781,114 95.215,115 3.596,116 3.627,117 4.862,118 3.228,119 1.095,120 0.095,121 4.81,122 17738,123 5.25,124 1.032,125 4.86,126 128,127 5.313,128 204.905,129 2.917,130 4.557,131 14.163,132 114.996,133 0.75,134 2,135 3.784,136 16.355,137 24,138 3.332,139 3.332,140 7.1}
{0 CHEMBL1997193,3 3.201,4 3.095,5 3.249,6 3.095,7 8.334,8 3.157,9 3.387,10 0.432,11 80.313,12 11.976,13 7.188,14 1.295,15 2.89,16 3.337,17 141.099,18 3.074,19 2.873,20 5.011,21 3.614,22 0.694,23 3.197,24 189.677,25 2,26 1.138,27 0.238,28 4.606,29 25.319,30 61.433,31 61.433,32 0.154,33 1.072,34 13.199,35 14.455,36 -0.857,37 3.998,38 0.668,39 2.367,40 5.782,41 5.782,42 3.223,43 -0.698,44 -0.698,45 10.99,46 4.428,47 15.722,48 372.805,49 1.098,50 3.775,51 1.228,52 598.02,53 -0.525,54 1.107,55 3.958,56 200.125,57 1.279,58 39.497,59 2.023,60 2.023,61 156.609,62 11.727,63 102.042,64 1.355,65 1.355,66 1.665,67 8.734,68 13.75,69 4.02,70 37.654,71 10.182,72 4.927,73 1.091,74 15.248,75 15.248,76 15.248,77 15.248,78 15.248,79 15.689,80 1.274,81 -1.29,82 -1.29,83 9394,84 3.862,85 640,86 41.886,87 3.389,88 7.784,89 3.469,90 3.346,91 167.012,92 399.269,93 0.87,94 386,95 -1.798,96 -1.798,97 26.727,98 13.044,99 40.044,100 -2.171,101 -2.171,102 1.297,103 12.248,104 12.248,105 12.248,106 12.248,107 12.248,108 6.791,109 0.947,110 3.713,111 3.646,112 37.714,113 410.961,114 96.151,115 3.569,116 3.719,117 4.858,118 3.19,119 1,121 4.054,122 17951,123 5.056,124 0.912,125 4.812,126 122,127 5.273,128 168.219,129 2.996,130 4.497,131 12.878,132 104.979,133 1,134 3,135 3.674,136 17.914,137 23,138 3.258,139 3.258,140 5.4}
{0 CHEMBL1997197,1 1,2 1,3 3.484,4 3.284,5 3.559,6 3.256,7 8.198,8 3.315,9 3.398,10 0.689,11 78.22,12 12.212,13 5.829,14 1.512,15 2.971,16 3.364,17 153.114,18 3.249,19 2.981,20 4.407,21 3.526,22 0.794,23 2.896,24 182.179,25 6,26 1.213,27 0.428,28 4.616,29 27.17,30 69.076,31 69.076,32 0.142,33 1.282,34 14.206,35 13.955,36 -0.602,37 3.522,38 0.618,39 2.495,40 4.358,41 4.358,42 3.293,43 -0.507,44 -0.507,45 11.758,46 4.536,47 16.673,48 366.438,49 1.298,50 3.682,51 1.57,52 559.68,53 -0.469,54 1.204,55 3.344,56 166.801,57 1.354,58 38.019,59 1.699,60 1.699,61 189.253,62 10.552,63 110.039,64 1.46,65 1.46,66 1.665,67 10.076,68 15.75,69 3.452,70 37.632,71 9.968,72 4.174,73 1.215,74 16.577,75 16.577,76 16.577,77 16.577,78 16.577,79 17.237,80 1.532,81 -0.446,82 -0.446,83 11468,84 3.911,85 808,86 37.756,87 3.397,88 7.847,89 3.349,90 3.754,91 174.412,92 417.326,93 1.197,94 363,95 -1.01,96 -1.01,97 28.699,98 13.787,99 38.394,100 -1.833,101 -1.833,102 1.566,103 12.803,104 12.803,105 12.803,106 12.803,107 12.803,108 7.278,109 0.856,110 3.666,111 3.417,112 37.576,113 387.944,114 97.958,115 3.434,116 3.546,117 4.781,118 3.227,119 1,121 4.711,122 19889,123 5.472,124 1.101,125 4.796,126 120,127 5.242,128 208.905,129 2.636,130 4.561,131 12.945,132 116.172,133 1,134 4,135 3.561,136 17.131,137 24,138 3.296,139 3.296,140 5.4}
{0 CHEMBL1997275,3 3.405,4 3.229,5 3.443,6 3.206,7 7.037,8 3.22,9 3.24,10 0.614,11 67.105,12 10.758,13 5.213,14 1.49,15 2.923,16 3.323,17 129.182,18 3.145,19 2.927,20 5.069,21 3.363,22 0.703,23 2.839,24 183.675,25 2,26 1.202,27 0.228,28 4.436,29 24.633,30 53.756,31 53.756,32 -0.157,33 1.065,34 13.131,35 12.013,36 -1.027,37 3.481,38 0.527,39 2.34,40 5.748,41 5.748,42 3.15,43 -0.752,44 -0.752,45 10.758,46 4.403,47 15.445,48 350.407,49 1.221,50 3.604,51 1.429,52 527.72,53 -0.736,54 1.144,55 3.136,56 156.814,57 1.275,58 38.262,59 1.902,60 1.902,61 159.711,62 9.67,63 98.107,64 1.354,65 1.354,66 1.647,67 8.837,68 14.25,69 3.303,70 37.922,71 9.67,72 3.931,73 1.04,74 15.248,75 15.248,76 15.248,77 15.248,78 15.248,79 15.51,80 1.485,81 -1.181,82 -1.181,83 7753,84 3.848,85 570,86 39.461,87 3.329,88 7.627,89 3.369,90 3.45,91 149.094,92 355.548,93 0.992,94 338,95 -1.89,96 -1.89,97 25.489,98 12.605,99 39.266,100 -2.422,101 -2.422,102 1.318,103 12.291,104 12.291,105 12.291,106 12.291,107 12.291,108 6.946,109 0.94,110 3.707,111 3.329,112 37.811,113 359.021,114 85.5,115 3.44,116 3.507,117 4.82,118 3.148,119 1.222,120 0.222,121 4.121,122 13266,123 4.806,124 0.883,125 4.812,126 122,127 5.273,128 179.362,129 2.887,130 4.435,131 12.931,132 99.552,133 0.5,134 4,135 3.518,136 15.104,137 22,138 3.258,139 3.258,140 5.4}
{0 CHEMBL1997335,3 3.436,4 3.265,5 3.478,6 3.234,7 7.927,8 3.314,9 3.458,10 0.929,11 77.826,12 12.262,13 5.685,14 1.523,15 2.964,16 3.436,17 138.535,18 3.247,19 2.972,20 5.173,21 3.503,22 0.97,23 2.919,24 223.945,25 4,26 1.192,27 0.585,28 3.844,29 28.402,30 65.077,31 65.077,32 0.352,33 1.388,34 15.387,35 14.291,36 -0.45,37 3.643,38 0.934,39 2.674,40 5.966,41 5.966,42 3.395,43 -0.366,44 -0.366,45 12.262,46 4.579,47 17.563,48 409.088,49 1.454,50 4.007,51 1.576,52 614.4,53 -0.342,54 1.116,55 3.351,56 180.327,57 1.302,58 41.615,59 1.942,60 1.942,61 165.29,62 10.493,63 116.096,64 1.605,65 1.605,66 1.685,67 10.054,68 16,69 3.527,70 41.697,71 10.493,72 4.421,73 1.384,74 17.541,75 17.541,76 17.541,77 17.541,78 17.541,79 18.124,80 1.539,81 0.22,82 0.22,83 10277,84 3.97,85 820,86 42.92,87 3.436,88 8.007,89 3.565,90 3.565,91 172.274,92 412.11,93 1.176,94 390,95 -0.704,96 -0.704,97 29.466,98 14.26,99 44.242,100 -1.29,101 -1.29,102 1.473,103 13.617,104 13.617,105 13.617,106 13.617,107 13.617,108 7.771,109 1.105,110 3.803,111 3.379,112 41.552,113 418.166,114 98.228,115 3.65,116 3.858,117 4.892,118 3.269,119 1.263,120 0.316,121 4.437,122 17289,123 5.694,124 1.358,125 4.92,126 136,127 5.38,128 194.045,129 2.929,130 4.614,131 14.26,132 117.635,133 0.5,134 8,135 3.845,136 17.389,137 25,138 3.367,139 3.367,140 5.5}
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{0 CHEMBL1997846,1 1,3 3.374,4 3.24,5 3.436,6 3.239,7 8.408,8 3.273,9 3.501,10 0.654,11 73.065,12 11.582,13 6.368,14 1.404,15 2.99,16 3.377,17 146.877,18 3.187,19 2.983,20 4.718,21 3.471,22 0.733,23 2.917,24 189.721,25 3,26 1.168,27 0.329,28 4.267,29 26.622,30 63.504,31 63.504,32 0.145,33 1.185,34 14.104,35 13.475,36 -0.75,37 3.826,38 0.222,39 2.554,40 5.198,41 5.198,42 3.354,43 -0.595,44 -0.595,45 11.293,46 4.483,47 16.622,48 345.905,49 1.376,50 3.718,51 1.513,52 531.35,53 -0.555,54 1.087,55 3.335,56 165.75,57 1.364,58 39.075,59 1.902,60 1.902,61 174.931,62 10.536,63 100.042,64 1.455,65 1.455,66 1.659,67 9.606,68 15.75,69 3.648,70 38.73,71 10.128,72 4.538,73 1.166,74 15.947,75 15.947,76 15.947,77 15.947,78 15.947,79 16.392,80 1.429,81 -1.011,82 -1.011,83 8700,84 3.892,85 697,86 39.02,87 3.403,88 7.75,89 3.522,90 3.617,91 166.079,92 396.993,93 1.153,94 341,95 -1.573,96 -1.573,97 28.216,98 13.698,99 39.279,100 -1.924,101 -1.924,102 1.175,103 12.909,104 12.909,105 12.909,106 12.909,107 12.909,108 7.978,109 1,110 3.758,111 3.351,112 38.953,113 360.07,114 91.288,115 3.65,116 3.709,117 4.779,118 3.189,119 1.095,120 0.095,121 4.634,122 14106,123 5,124 0.948,125 4.828,126 124,127 5.283,128 192.15,129 2.764,130 4.496,131 14.073,132 106.676,133 0.75,134 5,135 3.641,136 16.148,137 23,138 3.296,139 3.296,140 5.5}
{0 CHEMBL1997872,1 1,3 3.367,4 3.246,5 3.413,6 3.241,7 7.717,8 3.206,9 3.356,10 0.614,11 70.918,12 11.31,13 5.625,14 1.376,15 2.945,16 3.363,17 140.612,18 3.16,19 2.97,20 4.457,21 3.421,22 0.729,23 2.705,24 188.689,25 2,26 1.153,27 0.255,28 4.384,29 26.181,30 61.577,31 61.577,32 -0.13,33 1.188,34 14.135,35 12.658,36 -0.78,37 3.491,38 0.409,39 2.592,40 4.375,41 4.375,42 3.253,43 -0.718,44 -0.718,45 11.31,46 4.483,47 16.4,48 344.526,49 1.344,50 3.717,51 1.513,52 514.45,53 -0.688,54 1.094,55 3.188,56 158.755,57 1.396,58 39.563,59 1.65,60 1.65,61 175.367,62 9.968,63 100.042,64 1.368,65 1.368,66 1.657,67 9.531,68 15.5,69 3.37,70 39.194,71 9.968,72 4.141,73 1.169,74 15.999,75 15.999,76 15.999,77 15.999,78 15.999,79 16.367,80 1.429,81 -1.298,82 -1.298,83 9106,84 3.891,85 672,86 40.398,87 3.37,88 7.74,89 3.452,90 3.628,91 158.815,92 379.269,93 1.114,94 330,95 -1.605,96 -1.605,97 27.256,98 13.391,99 39.561,100 -1.975,101 -1.975,102 1.901,103 12.854,104 12.854,105 12.854,106 12.854,107 12.854,108 7.601,109 1.154,110 3.74,111 3.291,112 39.182,113 349.66,114 87.525,115 3.553,116 3.665,117 4.804,118 3.189,119 1.095,120 0.095,121 4.53,122 15593,123 5.028,124 0.922,125 4.828,126 124,127 5.283,128 190.877,129 2.612,130 4.498,131 13.676,132 107.112,133 0.75,134 6,135 3.666,136 15.648,137 23,138 3.296,139 3.296,140 5.4}
{0 CHEMBL1997892,3 3.455,4 3.22,5 3.497,6 3.161,7 8.732,8 3.33,9 3.423,10 0.89,11 93.415,12 12.707,13 6.637,14 1.417,15 2.987,16 3.48,17 177.903,18 3.29,19 3.046,20 5.243,21 3.7,22 1.268,23 3.154,24 258.229,25 3,26 1.094,27 0.854,28 4.751,29 30.564,30 86.513,31 86.513,32 0.725,33 1.127,34 16.831,35 15.951,36 -0.127,37 4.051,38 0.828,39 2.88,40 6.523,41 6.523,42 3.463,43 -0.106,44 -0.106,45 14.041,46 4.788,47 19.435,48 577.427,49 1.408,50 3.745,51 1.377,52 844.38,53 -0.094,54 1.031,55 3.875,56 220.388,57 1.24,58 49.486,59 2.303,60 2.303,61 204.31,62 11.955,63 142.452,64 1.749,65 1.749,66 1.725,67 10.831,68 19.25,69 3.935,70 48.415,71 14.06,72 4.344,73 1.13,74 19.074,75 19.074,76 19.074,77 19.074,78 19.074,79 19.621,80 1.424,81 0.323,82 0.323,83 25164,84 4.112,85 1448,86 50.182,87 3.437,88 8.492,89 3.544,90 4.003,91 189.866,92 455.033,93 1.06,94 530,95 -0.256,96 -0.256,97 29.87,98 16.764,99 50.536,100 -1.2,101 -1.2,102 1.593,103 15.751,104 15.751,105 15.751,106 15.751,107 15.751,108 8.191,109 1.754,110 3.842,111 3.462,112 48.714,113 567.139,114 102.564,115 3.544,116 3.663,117 5.037,118 3.44,119 1,121 5.141,122 54152,123 6.361,124 1.447,125 5.069,126 158,127 5.533,128 221.82,129 3.304,130 4.881,131 15.57,132 156.108,133 1,134 4,135 5.719,136 19.181,137 30,138 3.497,139 3.497,140 5.4}
{0 CHEMBL1998110,3 3.481,4 3.299,5 3.546,6 3.299,7 8.725,8 3.298,9 3.594,10 0.647,11 79.57,12 12.488,13 6.64,14 1.491,15 2.955,16 3.434,17 163.486,18 3.229,19 2.964,20 4.91,21 3.554,22 0.766,23 2.752,24 199.777,25 5,26 1.202,27 0.374,28 4.646,29 28.895,30 72.039,31 72.039,32 0.257,33 1.166,34 14.744,35 15.132,36 -0.749,37 3.715,38 0.935,39 2.571,40 5.386,41 5.386,42 3.457,43 -0.596,44 -0.596,45 12.08,46 4.569,47 17.505,48 376.826,49 1.37,50 3.888,51 1.563,52 582.4,53 -0.573,54 1.176,55 3.485,56 185.312,57 1.365,58 40.818,59 1.944,60 1.944,61 204.441,62 11.278,63 112.096,64 1.379,65 1.379,66 1.679,67 9.983,68 15.75,69 3.616,70 40.296,71 10.662,72 5.077,73 1.149,74 16.87,75 16.87,76 16.87,77 16.87,78 16.87,79 17.378,80 1.515,81 -1.183,82 -1.183,83 11901,84 3.945,85 914,86 41.442,87 3.481,88 7.977,89 3.608,90 3.706,91 184.004,92 440.731,93 1.177,94 375,95 -1.383,96 -1.383,97 30.665,98 13.993,99 41.779,100 -1.458,101 -1.458,102 1.583,103 13.255,104 13.255,105 13.255,106 13.255,107 13.255,108 7.874,109 1.016,110 3.769,111 3.397,112 40.182,113 400.783,114 99.108,115 3.743,116 3.824,117 4.838,118 3.267,119 1,121 4.663,122 20248,123 5.611,124 0.842,125 4.86,126 128,127 5.313,128 217.95,129 2.918,130 4.616,131 13.895,132 121.309,133 1,134 4,135 3.814,136 18.165,137 25,138 3.332,139 3.332,140 5.4}
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{0 CHEMBL1999321,3 3.787,4 3.682,5 3.815,6 3.667,7 9.266,8 3.474,9 3.619,10 1.387,11 88.555,12 14.204,13 6.505,14 1.599,15 3.245,16 3.563,17 161.919,18 3.412,19 3.241,20 4.966,21 3.61,22 1.662,23 2.96,24 237.984,25 8,26 1.394,27 1.319,28 4.151,29 32.423,30 73.816,31 73.816,32 1,33 1.107,34 17.327,35 15.592,36 0.398,37 3.759,38 1,39 3.247,40 5.87,41 5.87,42 3.54,43 0.319,44 0.319,45 14.204,46 4.812,47 20.155,48 446.602,49 1.144,50 3.886,51 1.62,52 656.38,53 0.313,54 1.334,55 3.487,56 188.549,57 1.712,58 47.661,59 2.09,60 2.09,61 199.27,62 12.343,63 128.881,64 1.607,65 1.607,66 1.713,67 12.117,68 18.5,69 3.66,70 46.996,71 12.343,72 4.478,73 1.124,74 19.982,75 19.982,76 19.982,77 19.982,78 19.982,79 20.241,80 1.61,81 2.136,82 2.136,83 20938,84 4.106,85 1432,86 49.411,87 3.57,88 8.375,89 3.686,90 4.361,91 199.064,92 477.475,93 0.905,94 426,95 0.769,96 0.769,97 33.472,98 16.221,99 48.167,100 0.207,101 0.207,102 2.5,103 15.818,104 15.818,105 15.818,106 15.818,107 15.818,108 9.156,109 1.377,110 3.859,111 3.737,112 47.035,113 450.828,114 112.669,115 3.754,116 3.854,117 5.014,118 3.407,119 1,121 5.818,122 37350,123 6.444,124 2.301,125 5.017,126 150,127 5.501,128 229.323,129 3.063,130 4.829,131 16.297,132 152.106,133 1,134 2,135 4.576,136 20.054,137 29,138 3.497,139 3.497,140 5.4}
{0 CHEMBL1999414,3 3.776,4 3.589,5 3.85,6 3.59,7 13.685,8 3.628,9 4.225,10 2.218,11 118.653,12 18.843,13 9.953,14 1.746,15 3.368,16 3.862,17 273.94,18 3.559,19 3.372,20 5.385,21 3.93,22 2.449,23 3.446,24 353.023,25 10,26 1.515,27 2,28 4.934,29 45.12,30 112.87,31 112.87,32 1.112,33 1.592,34 22.862,35 22.822,36 1.425,37 4.175,38 1.24,39 3.479,40 6.999,41 6.999,42 4.115,43 1,44 1,45 18.389,46 5.174,47 26.972,48 530.292,49 1.616,50 4.42,51 1.79,52 811.35,53 0.998,54 1.448,55 4.109,56 261.693,57 1.658,58 60.223,59 2.445,60 2.445,61 355.215,62 16.665,63 189.421,64 2.092,65 2.092,66 1.784,67 15.207,68 24,69 4.105,70 59.923,71 16.14,72 7.443,73 1.584,74 25.739,75 25.739,76 25.739,77 25.739,78 25.739,79 26.306,80 1.761,81 2.585,82 2.585,83 38019,84 4.36,85 3292,86 61.898,87 3.911,88 9.162,89 4.134,90 4.868,91 284.135,92 685.05,93 1.414,94 523,95 2.275,96 2.275,97 48.25,98 20.894,99 63.082,100 2.008,101 2.008,102 2.56,103 20.097,104 20.097,105 20.097,106 20.097,107 20.097,108 12.743,109 1.723,110 4.215,111 3.654,112 59.806,113 556.073,114 156.668,115 4.238,116 4.303,117 5.234,118 3.667,119 1.095,120 0.095,121 7.053,122 60636,123 8.583,124 2.5,125 5.273,126 194,127 5.727,128 389.215,129 3.366,130 5.209,131 21.734,132 215.938,133 0.75,134 9,135 5.88,136 27.424,137 38,138 3.738,139 3.738,140 5.4}
{0 CHEMBL1999428,3 3.477,4 3.306,5 3.544,6 3.305,7 7.601,8 3.192,9 3.323,10 0.568,11 68.909,12 11.237,13 5.419,14 1.332,15 2.969,16 3.382,17 118.745,18 3.153,19 2.987,20 4.362,21 3.351,22 0.609,23 2.559,24 173.44,25 4,26 1.079,27 0.237,28 3.758,29 26.972,30 56.162,31 56.162,32 -0.28,33 1.107,34 13.529,35 12.938,36 -0.965,37 3.333,38 0.285,39 2.283,40 4.269,41 4.269,42 3.217,43 -0.764,44 -0.764,45 11.237,46 4.473,47 16.226,48 304.721,49 1.062,50 3.755,51 1.261,52 452.33,53 -0.765,54 1.046,55 3.085,56 138.324,57 1.39,58 37.422,59 1.765,60 1.765,61 154.096,62 9.661,63 92.042,64 1.106,65 1.106,66 1.652,67 9.586,68 13.75,69 3.231,70 36.871,71 9.661,72 3.808,73 1.062,74 15.759,75 15.759,76 15.759,77 15.759,78 15.759,79 15.87,80 1.315,81 -1.261,82 -1.261,83 9488,84 3.871,85 727,86 37.753,87 3.423,88 7.711,89 3.347,90 3.653,91 168.748,92 403.505,93 0.886,94 297,95 -1.628,96 -1.628,97 28.557,98 12.484,99 37.456,100 -1.963,101 -1.963,102 1.044,103 12.343,104 12.343,105 12.343,106 12.343,107 12.343,108 7.552,109 1,110 3.714,111 3.364,112 36.858,113 314.655,114 91.545,115 3.455,116 3.619,117 4.766,118 3.187,119 1,121 4.558,122 15431,123 5.167,124 0.836,125 4.762,126 116,127 5.209,128 184.15,129 2.746,130 4.495,131 13.012,132 109.384,133 1,134 5,135 3.513,136 16.071,137 23,138 3.258,139 3.258,140 5.4}
{0 CHEMBL1999484,1 1,2 1,3 3.646,4 3.495,5 3.705,6 3.494,7 9.858,8 3.416,9 3.607,10 0.888,11 86.742,12 13.633,13 7.357,14 1.601,15 3.064,16 3.515,17 182.261,18 3.31,19 3.058,20 5.039,21 3.659,22 1.364,23 2.942,24 226.534,25 5,26 1.399,27 1.04,28 4.501,29 31.551,30 77.789,31 77.789,32 0.628,33 1.293,34 16.673,35 16.306,36 0.122,37 3.684,38 0.932,39 2.918,40 5.977,41 5.977,42 3.476,43 0.101,44 0.101,45 13.225,46 4.706,47 19.42,48 404.447,49 1.376,50 3.977,51 1.653,52 625.23,53 0.094,54 1.347,55 3.526,56 203.318,57 1.408,58 44.602,59 2.072,60 2.072,61 225.073,62 12.236,63 120.382,64 1.683,65 1.683,66 1.696,67 11.138,68 18.75,69 3.545,70 44.455,71 11.594,72 5.702,73 1.3,74 18.679,75 18.679,76 18.679,77 18.679,78 18.679,79 19.378,80 1.631,81 0.523,82 0.523,83 14660,84 4.04,85 1123,86 44.644,87 3.555,88 8.177,89 3.561,90 4.027,91 198.723,92 476.645,93 1.153,94 402,95 0.264,96 0.264,97 33.779,98 15.955,99 45.46,100 -1.078,101 -1.078,102 2,103 14.787,104 14.787,105 14.787,106 14.787,107 14.787,108 8.972,109 1.146,110 3.867,111 3.563,112 44.446,113 425.998,114 112.392,115 3.706,116 3.856,117 4.9,118 3.339,119 1,121 5.255,122 23854,123 6,124 1.502,125 4.963,126 142,127 5.416,128 240.683,129 2.984,130 4.726,131 15.76,132 135.914,133 1,134 6,135 4.118,136 18.993,137 27,138 3.434,139 3.434,140 7.1}
{0 CHEMBL1999496,3 3.695,4 3.599,5 3.733,6 3.605,7 8.946,8 3.278,9 3.929,10 0.906,11 77.039,12 12.592,13 7.192,14 1.46,15 3.029,16 3.54,17 151.31,18 3.215,19 3.026,20 5.072,21 3.492,22 0.942,23 2.931,24 228.948,25 4,26 1.282,27 0.601,28 4.028,29 31.026,30 63.929,31 63.929,32 0.358,33 1.284,34 15.269,35 15.068,36 -0.505,37 3.881,38 0.674,39 3.247,40 5.961,41 5.961,42 3.778,43 -0.399,44 -0.399,45 12.592,46 4.629,47 18.712,48 346.003,49 1.391,50 4.167,51 1.536,52 523.49,53 -0.399,54 1.223,55 3.504,56 177.324,57 1.342,58 44.134,59 2.118,60 2.118,61 193.349,62 11.577,63 100.211,64 1.552,65 1.552,66 1.699,67 10.406,68 15.75,69 3.757,70 43.48,71 11.577,72 5.087,73 1.246,74 17.625,75 17.625,76 17.625,77 17.625,78 17.625,79 17.731,80 1.503,81 -0.553,82 -0.553,83 10904,84 3.991,85 1132,86 44.606,87 3.589,88 8.136,89 3.927,90 3.754,91 190.132,92 455.681,93 1.183,94 338,95 -0.887,96 -0.887,97 33.08,98 14.472,99 45.962,100 -0.945,101 -0.945,102 1.427,103 14.329,104 14.329,105 14.329,106 14.329,107 14.329,108 8.899,109 1.191,110 3.885,111 3.609,112 43.449,113 359.328,114 103.679,115 4.068,116 4.158,117 4.938,118 3.305,119 1,121 4.942,122 17132,123 5.653,124 1.174,125 4.963,126 142,127 5.425,128 216.568,129 3.126,130 4.67,131 15.93,132 124.872,133 1,134 4,135 4.162,136 18.148,137 26,138 3.401,139 3.401,140 5.4}
{0 CHEMBL1999506,3 3.734,4 3.576,5 3.786,6 3.582,7 12.884,8 3.654,9 4.412,10 2.343,11 116.205,12 18.613,13 10.34,14 1.764,15 3.415,16 3.865,17 266.444,18 3.593,19 3.422,20 5.4,21 3.892,22 2.503,23 3.479,24 374.6,25 10,26 1.52,27 2.088,28 4.711,29 45.341,30 110.953,31 110.953,32 1.278,33 1.597,34 22.721,35 22.323,36 1.449,37 4.282,38 1.481,39 3.589,40 6.951,41 6.951,42 4.331,43 1.092,44 1.092,45 18.613,46 5.198,47 27.237,48 572.007,49 1.654,50 4.332,51 1.676,52 840.08,53 1.084,54 1.474,55 4.27,56 251.108,57 1.662,58 63.802,59 2.382,60 2.382,61 339.176,62 17.63,63 199.376,64 2.094,65 2.094,66 1.797,67 15.269,68 24.25,69 4.307,70 62.781,71 17.63,72 6.213,73 1.585,74 25.678,75 25.678,76 25.678,77 25.678,78 25.678,79 25.913,80 1.724,81 2.82,82 2.82,83 39436,84 4.382,85 3602,86 65.672,87 3.887,88 9.277,89 4.323,90 4.814,91 280.867,92 677.076,93 1.45,94 544,95 2.582,96 2.582,97 47.506,98 21.141,99 64.107,100 2.337,101 2.337,102 2.675,103 20.782,104 20.782,105 20.782,106 20.782,107 20.782,108 12.738,109 1.786,110 4.231,111 3.606,112 62.812,113 579.681,114 148.467,115 4.388,116 4.334,117 5.286,118 3.693,119 1.095,120 0.095,121 7.308,122 67023,123 8.472,124 2.661,125 5.313,126 202,127 5.771,128 384.196,129 3.36,130 5.248,131 22.111,132 219.923,133 0.75,134 12,135 6.149,136 27.993,137 39,138 3.761,139 3.761,140 5.4}
{0 CHEMBL1999556,3 3.064,4 2.902,5 3.131,6 2.922,7 6.299,8 3.002,9 2.278,10 0.075,11 57.973,12 9.162,13 5.024,14 1.062,15 2.759,16 3.13,17 89.096,18 2.956,19 2.793,20 4.074,21 3.26,22 0.47,23 2.543,24 133.8,25 2,26 0.904,27 -0.064,28 3.869,29 20.052,30 46.084,31 46.084,32 -1,33 0.932,34 10.314,35 10.276,36 -1.5,37 3.258,38 -0.882,39 1.756,40 3.583,41 3.583,42 2.169,43 -1,44 -1,45 8.754,46 4.109,47 12.498,48 279.337,49 1.054,50 3.416,51 1.181,52 443.97,53 -1.025,54 0.836,55 2.132,56 142.654,57 0.951,58 30.719,59 1.493,60 1.493,61 108.341,62 8.535,63 71.059,64 1,65 1,66 1.591,67 7.31,68 11,69 2.704,70 30.344,71 7.892,72 3.858,73 0.884,74 12.276,75 12.276,76 12.276,77 12.276,78 12.276,79 12.477,80 1.107,81 -2.347,82 -2.347,83 4659,84 3.64,85 334,86 30.926,87 3.184,88 7.052,89 2.72,90 3.035,91 128.18,92 304.518,93 0.886,94 286,95 -2.874,96 -2.874,97 21.159,98 10.255,99 31.077,100 -3.986,101 -3.986,102 0.5,103 9.894,104 9.894,105 9.894,106 9.894,107 9.894,108 5.514,109 0.116,110 3.495,111 3.162,112 30.31,113 303.643,114 72.78,115 2.885,116 3.262,117 4.605,118 2.962,119 1.133,120 0.133,121 3.472,122 8151,123 3.944,124 0.5,125 4.575,126 96,127 5.03,128 121.851,129 2.447,130 4.141,131 10.327,132 74.66,133 0.667,134 4,135 2.827,136 12.889,137 18,138 3.045,139 3.045,140 5.9}
{0 CHEMBL1999590,1 2,3 3.67,4 3.531,5 3.726,6 3.515,7 8.065,8 3.345,9 3.481,10 0.838,11 80.473,12 12.793,13 5.596,14 1.586,15 2.988,16 3.419,17 146.174,18 3.254,19 3.02,20 5.002,21 3.534,22 1.274,23 2.967,24 216.293,25 5,26 1.362,27 0.847,28 4.391,29 28.477,30 66.257,31 66.257,32 0.618,33 1.208,34 15.269,35 14.073,36 -0.131,37 3.725,38 0.767,39 3,40 5.909,41 5.909,42 3.399,43 -0.098,44 -0.098,45 12.793,46 4.663,47 18.023,48 442.263,49 1.485,50 3.763,51 1.512,52 641.87,53 -0.092,54 1.335,55 3.381,56 174.117,57 1.486,58 43.703,59 2.086,60 2.086,61 184.438,62 11.176,63 118.211,64 1.445,65 1.445,66 1.69,67 11.035,68 17.25,69 3.587,70 42.901,71 11.176,72 3.685,73 1.247,74 18.068,75 18.068,76 18.068,77 18.068,78 18.068,79 18.379,80 1.58,81 1.372,82 1.372,83 13645,84 4.004,85 1080,86 42.981,87 3.41,88 8.089,89 3.609,90 3.96,91 176.012,92 421.229,93 1.237,94 418,95 -0.239,96 -0.239,97 29.296,98 14.887,99 43.09,100 -1.358,101 -1.358,102 2.253,103 14.392,104 14.392,105 14.392,106 14.392,107 14.392,108 7.936,109 1,110 3.738,111 3.608,112 42.971,113 444.645,114 102.142,115 3.689,116 3.782,117 4.931,118 3.304,119 1,121 5.308,122 23834,123 5.75,124 2.118,125 4.92,126 136,127 5.371,128 210.968,129 3.032,130 4.668,131 14.247,132 128.012,133 1,134 7,135 3.927,136 17.769,137 26,138 3.401,139 3.401,140 5.7}
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{0 CHEMBL1999718,3 3.419,4 3.204,5 3.465,6 3.153,7 7.268,8 3.218,9 3.232,10 0.76,11 79.087,12 11.152,13 5.211,14 1.307,15 2.937,16 3.332,17 133.853,18 3.165,19 2.962,20 5.155,21 3.51,22 1,23 3.109,24 211.762,25 2,26 1.046,27 0.525,28 4.44,29 26.079,30 67.047,31 67.047,32 0.51,33 1.057,34 14.891,35 13.003,36 -0.622,37 3.635,38 0.704,39 2.675,40 6.309,41 6.309,42 3.256,43 -0.446,44 -0.446,45 12.364,46 4.606,47 16.872,48 491.481,49 1.246,50 3.444,51 1.203,52 712.98,53 -0.431,54 0.995,55 3.411,56 177.297,57 1.224,58 43.624,59 2.102,60 2.102,61 159.853,62 9.905,63 117.457,64 1.647,65 1.647,66 1.687,67 9.888,68 17.25,69 3.563,70 41.75,71 11.862,72 3.452,73 1.065,74 17.082,75 17.082,76 17.082,77 17.082,78 17.082,79 17.559,80 1.254,81 -0.483,82 -0.483,83 16623,84 3.982,85 1040,86 44.533,87 3.279,88 8.075,89 3.316,90 3.752,91 161.021,92 384.651,93 0.973,94 449,95 -1.174,96 -1.174,97 25.341,98 14.614,99 42.865,100 -1.902,101 -1.902,102 1.371,103 13.766,104 13.766,105 13.766,106 13.766,107 13.766,108 7.105,109 1.043,110 3.674,111 3.395,112 41.916,113 480.011,114 86.281,115 3.259,116 3.313,117 4.951,118 3.304,119 1.125,120 0.125,121 4.628,122 34913,123 5.639,124 1.289,125 4.92,126 136,127 5.38,128 179.362,129 3.054,130 4.669,131 13.435,132 128.482,133 0.667,134 5,135 4.753,136 16.234,137 26,138 3.367,139 3.367,140 5.4}
{0 CHEMBL1999749,1 1,3 3.862,4 3.79,5 3.894,6 3.792,7 14.036,8 3.84,9 4.309,10 2.5,11 125.639,12 20.178,13 10.925,14 1.776,15 3.747,16 3.964,17 260.441,18 3.812,19 3.744,20 5.547,21 3.987,22 2.5,23 3.6,24 420.724,25 9,26 1.576,27 2,28 4.787,29 47.605,30 106.129,31 106.129,32 1.458,33 1.538,34 25.342,35 22.903,36 1.5,37 4.273,38 1.491,39 4.079,40 7.576,41 7.576,42 4.217,43 1.05,44 1.05,45 20.178,46 5.314,47 29.602,48 599.629,49 1.583,50 4.476,51 1.785,52 900.79,53 1,54 1.516,55 4.134,56 292.574,57 1.787,58 70.642,59 2.518,60 2.518,61 349.479,62 18.025,63 207.66,64 2.255,65 2.255,66 1.802,67 16.801,68 27,69 4.223,70 70.297,71 18.025,72 8.192,73 1.528,74 28.737,75 28.737,76 28.737,77 28.737,78 28.737,79 29.32,80 1.782,81 3.144,82 3.144,83 47581,84 4.465,85 3971,86 71.277,87 3.984,88 9.386,89 4.31,90 5.342,91 283.339,92 683.106,93 1.364,94 577,95 3.01,96 3.01,97 50.046,98 24.053,99 72.116,100 2.47,101 2.47,102 2.811,103 23.161,104 23.161,105 23.161,106 23.161,107 23.161,108 13.864,109 1.963,110 4.333,111 3.801,112 70.307,113 612.811,114 160.496,115 4.409,116 4.477,117 5.386,118 3.741,119 1.118,120 0.118,121 7.882,122 79981,123 8.944,124 2.786,125 5.434,126 228,127 5.894,128 404.838,129 3.482,130 5.322,131 25.448,132 237.485,133 0.714,134 9,135 6.566,136 27.761,137 41,138 3.871,139 3.871,140 5.4}
{0 CHEMBL1999774,1 2,3 3.279,4 3.031,5 3.385,6 3.025,7 7.675,8 3.239,9 3.216,10 0.353,11 72.307,12 11.223,13 6.113,14 1.404,15 2.915,16 3.314,17 157.103,18 3.186,19 2.95,20 5.281,21 3.459,22 0.485,23 2.755,24 192.413,25 3,26 1.095,27 0.027,28 4.665,29 25.745,30 72.032,31 72.032,32 0.238,33 1.1,34 13.589,35 13.339,36 -1.108,37 3.727,38 0.517,39 2.564,40 6.433,41 6.433,42 3.072,43 -0.919,44 -0.919,45 10.935,46 4.413,47 15.792,48 374.081,49 1.364,50 3.805,51 1.412,52 576.2,53 -0.781,54 1.023,55 3.003,56 179.286,57 1.308,58 37.86,59 2.12,60 2.12,61 186.612,62 10.48,63 104.042,64 1.345,65 1.345,66 1.661,67 8.477,68 15.5,69 3.556,70 37.912,71 10.147,72 4.745,73 1.139,74 15.146,75 15.146,76 15.146,77 15.146,78 15.146,79 15.479,80 1.417,81 -0.546,82 -0.546,83 9019,84 3.86,85 561,86 39.5,87 3.31,88 7.755,89 3.388,90 3.305,91 162.41,92 388.04,93 1.013,94 363,95 -2,96 -2,97 26.574,98 12.833,99 40.954,100 -2.589,101 -2.589,102 1.197,103 12.182,104 12.182,105 12.182,106 12.182,107 12.182,108 7.209,109 0.772,110 3.72,111 3.285,112 37.964,113 387.32,114 84.873,115 3.494,116 3.672,117 4.76,118 3.19,119 1.133,120 0.133,121 3.865,122 16068,123 5.056,124 1.07,125 4.828,126 124,127 5.293,128 198.122,129 3.051,130 4.49,131 13.251,132 105.26,133 0.667,134 8,135 3.79,136 17.223,137 23,138 3.258,139 3.258,140 5.4}
{0 CHEMBL1999811,1 1,3 3.253,4 3.112,5 3.298,6 3.16,7 7.197,8 3.217,9 3.01,10 0.56,11 75.789,12 11.631,13 5.033,14 1.176,15 2.977,16 3.246,17 125.812,18 3.173,19 3.001,20 4.847,21 3.514,22 0.795,23 2.951,24 173.086,25 3,26 0.969,27 0.397,28 4.455,29 24.019,30 65.252,31 65.252,32 0.069,33 1.081,34 13.176,35 12.411,36 -0.683,37 3.483,38 0.297,39 2.359,40 5.383,41 5.383,42 2.986,43 -0.518,44 -0.518,45 11.131,46 4.458,47 15.302,48 412.354,49 1.136,50 3.219,51 1.14,52 619.24,53 -0.479,54 0.954,55 3.088,56 168.901,57 1.099,58 37.288,59 1.921,60 1.921,61 151.464,62 10.439,63 104.042,64 1.511,65 1.511,66 1.65,67 9.238,68 14.75,69 3.277,70 36.811,71 9.973,72 3.461,73 1.078,74 15.499,75 15.499,76 15.499,77 15.499,78 15.499,79 15.742,80 1.173,81 -1.118,82 -1.118,83 11824,84 3.868,85 708,86 37.827,87 3.221,88 7.711,89 3.006,90 3.64,91 153.628,92 366.611,93 0.912,94 406,95 -1.243,96 -1.243,97 24.324,98 12.739,99 37.799,100 -2.26,101 -2.26,102 1.215,103 12.342,104 12.342,105 12.342,106 12.342,107 12.342,108 6.408,109 0.879,110 3.568,111 3.421,112 36.861,113 434.625,114 86.831,115 3.011,116 3.042,117 4.787,118 3.187,119 1.133,120 0.133,121 4.378,122 23404,123 5.083,124 1,125 4.779,126 118,127 5.231,128 170.974,129 2.898,130 4.502,131 12.05,132 109.912,133 0.667,134 5,135 3.588,136 16.587,137 23,138 3.258,139 3.258,140 5.6}
{0 CHEMBL1999918,3 3.067,4 2.938,5 3.131,6 2.974,7 7.409,8 3.005,9 2.712,10 0.126,11 75.469,12 10.133,13 6.235,14 1.074,15 2.768,16 3.205,17 108.241,18 2.976,19 2.798,20 4.962,21 3.573,22 0.48,23 2.92,24 169.465,25 2,26 0.9,27 -0.064,28 4.423,29 21.844,30 57.651,31 57.651,32 -0.364,33 0.878,34 11.656,35 12.764,36 -1.382,37 3.934,38 0.115,39 2.151,40 5.176,41 5.176,42 2.591,43 -1,44 -1,45 9.986,46 4.289,47 14.011,48 392.737,49 1.018,50 3.448,51 1.057,52 616.82,53 -0.914,54 0.836,55 3.807,56 212.348,57 0.952,58 35.522,59 1.769,60 1.769,61 123.851,62 9.973,63 92.239,64 1.451,65 1.451,66 1.637,67 7.769,68 13,69 3.807,70 35.197,71 9.431,72 4.711,73 0.851,74 13.776,75 13.776,76 13.776,77 13.776,78 13.776,79 14.199,80 1.055,81 -2,82 -2,83 8248,84 3.776,85 528,86 37.423,87 3.234,88 7.507,89 3,90 3.162,91 142.49,92 339.435,93 0.828,94 391,95 -2.851,96 -2.851,97 22.387,98 12.144,99 37.327,100 -2.875,101 -2.875,102 0.818,103 11.275,104 11.275,105 11.275,106 11.275,107 11.275,108 5.828,109 0.659,110 3.599,111 3.446,112 35.216,113 416.662,114 80.835,115 3.074,116 3.345,117 4.745,118 3.105,119 1.133,120 0.133,121 3.625,122 17560,123 4.528,124 0.5,125 4.745,126 114,127 5.209,128 132.606,129 2.652,130 4.365,131 11.642,132 92.437,133 0.667,134 3,135 3.556,136 14.759,137 21,138 3.178,139 3.178,140 6}
{0 CHEMBL1999931,1 1,3 3.772,4 3.605,5 3.829,6 3.567,7 9.551,8 3.475,9 3.777,10 2.087,11 91.969,12 14.759,13 6.938,14 1.695,15 3.21,16 3.593,17 160.67,18 3.417,19 3.237,20 5.137,21 3.667,22 2.206,23 3.18,24 270.448,25 5,26 1.419,27 1.706,28 4.077,29 33.004,30 73.468,31 73.468,32 1,33 1.279,34 17.623,35 15.987,36 1.063,37 3.863,38 1,39 3.247,40 6.167,41 6.167,42 3.699,43 0.724,44 0.724,45 14.759,46 4.87,47 20.995,48 489.8,49 1.455,50 3.841,51 1.543,52 720.07,53 0.709,54 1.347,55 3.63,56 206.149,57 1.408,58 51.614,59 2.167,60 2.167,61 195.708,62 13.124,63 139.207,64 1.687,65 1.687,66 1.726,67 12.514,68 19,69 3.793,70 50.952,71 13.124,72 4.85,73 1.32,74 20.878,75 20.878,76 20.878,77 20.878,78 20.878,79 21.073,80 1.67,81 2.136,82 2.136,83 20366,84 4.154,85 1514,86 51.901,87 3.599,88 8.493,89 3.769,90 4.348,91 201.133,92 482.525,93 1.214,94 468,95 1.733,96 1.733,97 34.057,98 17.152,99 51.207,100 1.486,101 1.486,102 2.5,103 16.847,104 16.847,105 16.847,106 16.847,107 16.847,108 9.437,109 1.323,110 3.957,111 3.724,112 50.979,113 497.019,114 116.156,115 3.818,116 3.829,117 5.11,118 3.44,119 1.077,120 0.077,121 6.023,122 35659,123 6.528,124 2.5,125 5.094,126 162,127 5.549,128 233.814,129 3.14,130 4.875,131 17.303,132 155.863,133 0.8,134 15,135 4.74,136 20.338,137 30,138 3.555,139 3.555,140 7.1}
{0 CHEMBL2000029,1 1,3 3.702,4 3.544,5 3.761,6 3.512,7 9.479,8 3.413,9 4.149,10 1.33,11 87.901,12 14.204,13 7.114,14 1.651,15 3.148,16 3.593,17 168.717,18 3.341,19 3.168,20 5.26,21 3.632,22 2.11,23 2.98,24 275.733,25 4,26 1.351,27 1.638,28 4.183,29 32.816,30 69.131,31 69.131,32 0.833,33 1.417,34 16.835,35 16.002,36 0.94,37 4.035,38 1,39 3.247,40 6.475,41 6.475,42 4.021,43 0.658,44 0.658,45 14.204,46 4.809,47 20.552,48 461.108,49 1.451,50 4.096,51 1.551,52 687.56,53 0.644,54 1.268,55 3.84,56 205.656,57 1.367,58 50.558,59 2.196,60 2.196,61 204.982,62 12.796,63 134.881,64 1.578,65 1.578,66 1.728,67 11.833,68 18,69 3.991,70 49.987,71 12.796,72 5.176,73 1.418,74 20.068,75 20.068,76 20.068,77 20.068,78 20.068,79 20.254,80 1.625,81 2.097,82 2.097,83 15203,84 4.121,85 1455,86 50.013,87 3.614,88 8.457,89 4.078,90 4.024,91 200.064,92 479.917,93 1.231,94 444,95 1.567,96 1.567,97 34.364,98 16.621,99 51.447,100 0.159,101 0.159,102 2.5,103 16.314,104 16.314,105 16.314,106 16.314,107 16.314,108 9.387,109 1.346,110 3.973,111 3.653,112 50.01,113 471.131,114 118.966,115 4.177,116 4.151,117 5.086,118 3.409,119 1.077,120 0.077,121 5.633,122 25406,123 6.278,124 2.315,125 5.081,126 160,127 5.541,128 241.246,129 3.175,130 4.829,131 17.165,132 144.154,133 0.8,134 20,135 4.559,136 19.794,137 29,138 3.526,139 3.526,140 5.4}
{0 CHEMBL2000071,1 1,3 3.318,4 3.117,5 3.396,6 3.091,7 6.621,8 3.17,9 3.109,10 0.5,11 61.913,12 9.898,13 4.518,14 1.344,15 2.812,16 3.21,17 133.346,18 3.089,19 2.837,20 3.906,21 3.261,22 0.5,23 2.5,24 150.784,25 5,26 1.007,28 4.493,29 22.961,30 55.514,31 55.514,32 -0.594,33 1.107,34 12.275,35 11.004,36 -1.5,37 3.374,38 -0.531,39 2,40 3.165,41 3.165,42 2.944,43 -1,44 -1,45 9.898,46 4.283,47 14.1,48 286.107,49 1.132,50 3.6,51 1.333,52 427.97,53 -0.955,54 0.924,55 2.764,56 128.49,57 1.36,58 32.314,59 1.607,60 1.607,61 161.753,62 8.163,63 82.439,64 1,65 1,66 1.623,67 8.815,68 13.25,69 3.115,70 32.136,71 8.163,72 3.182,73 1.062,74 14.113,75 14.113,76 14.113,77 14.113,78 14.113,79 14.399,80 1.342,81 -1.478,82 -1.478,83 5885,84 3.744,85 528,86 32.34,87 3.221,88 7.352,89 3.248,90 3.288,91 143.157,92 341.063,93 0.896,94 276,95 -2.347,96 -2.347,97 24.046,98 11.333,99 33.143,100 -2.517,101 -2.517,102 0.828,103 10.874,104 10.874,105 10.874,106 10.874,107 10.874,108 6.529,109 0.685,110 3.552,111 3.231,112 32.149,113 291.773,114 80.595,115 3.367,116 3.521,117 4.615,118 3.059,119 1.133,120 0.133,121 4.153,122 9616,123 4.611,124 0.507,125 4.635,126 102,127 5.081,128 169.362,129 2.563,130 4.286,131 11.364,132 87.493,133 0.667,134 3,135 3.042,136 13.786,137 20,138 3.135,139 3.135,140 5.4}
{0 CHEMBL2000104,1 1,3 3.456,4 3.283,5 3.5,6 3.272,7 9.396,8 3.198,9 3.229,10 0.5,11 80.179,12 12.149,13 8.364,14 1.296,15 2.979,16 3.367,17 141.879,18 3.148,19 2.945,20 4.912,21 3.685,22 0.733,23 2.855,24 186.926,25 4,26 1.094,27 0.05,28 4.443,29 25.722,30 66.692,31 66.692,32 0.056,33 1.107,34 12.921,35 13.947,36 -1.301,37 3.604,38 0.117,39 2.416,40 5.319,41 5.319,42 3.141,43 -1,44 -1,45 10.92,46 4.418,47 15.89,48 373.404,49 1.217,50 3.743,51 1.191,52 625.09,53 -0.914,54 1.055,55 3.562,56 220.82,57 1.528,58 38.364,59 1.839,60 1.839,61 164.385,62 12.465,63 96.042,64 1.365,65 1.365,66 1.657,67 8.481,68 14,69 3.47,70 38.291,71 10.448,72 6.428,73 1.062,74 15.118,75 15.118,76 15.118,77 15.118,78 15.118,79 15.747,80 1.347,81 -1.89,82 -1.89,83 9999,84 3.862,85 690,86 40.855,87 3.449,88 7.738,89 3.241,90 3.387,91 166.488,92 397.99,93 0.928,94 402,95 -2,96 -2,97 27.239,98 13.092,99 40.142,100 -2.874,101 -2.874,102 1.104,103 12.21,104 12.21,105 12.21,106 12.21,107 12.21,108 7.076,109 0.944,110 3.752,111 3.424,112 38.346,113 428.943,114 91.282,115 3.378,116 3.605,117 4.86,118 3.189,119 1.133,120 0.133,121 3.876,122 18812,123 4.986,124 1,125 4.828,126 124,127 5.293,128 173.995,129 2.798,130 4.493,131 13.451,132 106.784,133 0.667,134 8,135 3.961,136 17.216,137 23,138 3.258,139 3.258,140 5.8}
{0 CHEMBL2000114,1 1,3 3.177,4 2.949,5 3.261,6 2.976,7 6.298,8 3.148,9 2.557,10 -0.5,11 55.283,12 8.421,13 4.155,14 1.324,15 2.771,16 2.977,17 112.677,18 3.058,19 2.787,20 3.633,21 3.188,22 -0.413,23 1.804,24 103.963,25 5,26 0.981,27 -0.86,28 4.548,29 18.622,30 52.684,31 52.684,32 -1.243,33 0.869,34 10.057,35 9.842,36 -2.09,37 2.91,38 -1.051,39 0.861,40 2.882,41 2.882,42 2.348,43 -1.795,44 -1.795,45 7.864,46 3.94,47 11.236,48 231.821,49 1.052,50 3.29,51 1.325,52 359.56,53 -1.626,54 0.889,55 2.49,56 114.801,57 1.063,58 24.222,59 1.236,60 1.236,61 136.452,62 6.736,63 64,64 0.69,65 0.69,66 1.554,67 6.934,68 10.75,69 2.693,70 24.256,71 6.27,72 3.043,73 0.865,74 11.207,75 11.207,76 11.207,77 11.207,78 11.207,79 11.773,80 1.329,81 -3.657,82 -3.657,83 3415,84 3.508,85 272,86 27.415,87 3.025,88 6.692,89 2.749,90 2.846,91 122.502,92 290.664,93 0.836,94 230,95 -4.591,96 -4.591,97 19.932,98 9.057,99 25.659,100 -4.948,101 -4.948,102 0.014,103 8.308,104 8.308,105 8.308,106 8.308,107 8.308,108 5.089,109 -0.038,110 3.288,111 3.168,112 24.193,113 246.305,114 68.365,115 2.945,116 3.14,117 4.311,118 2.853,119 1.222,120 0.222,121 3.138,122 5614,123 3.833,124 -0.256,125 4.369,126 78,127 4.812,128 136.452,129 2.138,130 3.963,131 8.763,132 64.005,133 0.5,134 3,135 2.356,136 11.734,137 16,138 2.89,139 2.89,140 5.4}
{0 CHEMBL2000271,3 3.634,4 3.489,5 3.696,6 3.496,7 9.496,8 3.468,9 3.789,10 1.028,11 85.018,12 13.725,13 7.092,14 1.764,15 3.258,16 3.581,17 187.866,18 3.407,19 3.261,20 4.995,21 3.581,22 1.4,23 2.97,24 236.218,25 7,26 1.491,27 1.245,28 4.738,29 33.068,30 74.342,31 74.342,32 0.714,33 1.291,34 16.792,35 15.93,36 0.323,37 3.783,38 1,39 3.152,40 5.937,41 5.937,42 3.664,43 0.3,44 0.3,45 13.725,46 4.76,47 20.045,48 384.441,49 1.406,50 4.024,51 1.701,52 570.33,53 0.282,54 1.416,55 3.547,56 179.955,57 1.565,58 45.923,59 2.16,60 2.16,61 246.384,62 11.936,63 130.606,64 1.523,65 1.523,66 1.707,67 11.59,68 17.25,69 3.676,70 45.785,71 11.936,72 4.977,73 1.281,74 19.386,75 19.386,76 19.386,77 19.386,78 19.386,79 19.652,80 1.741,81 1.487,82 1.487,83 15801,84 4.075,85 1262,86 46.216,87 3.615,88 8.296,89 3.782,90 4.121,91 203.72,92 488.837,93 1.075,94 371,95 0.503,96 0.503,97 35.091,98 15.684,99 46.696,100 -0.691,101 -0.691,102 2.111,103 15.27,104 15.27,105 15.27,106 15.27,107 15.27,108 9.401,109 1.13,110 3.943,111 3.504,112 45.734,113 394.44,114 112.035,115 3.901,116 3.985,117 4.966,118 3.374,119 1.095,120 0.095,121 5.468,122 25483,123 6.25,124 1.814,125 4.99,126 146,127 5.442,128 272.913,129 3.145,130 4.781,131 16.456,132 142.641,133 0.75,134 5,135 4.304,136 19.347,137 28,138 3.466,139 3.466,140 5.4}
{0 CHEMBL2000335,1 1,3 3.461,4 3.248,5 3.512,6 3.21,7 9.624,8 3.329,9 3.57,10 1.042,11 88.18,12 13.962,13 7.402,14 1.42,15 3.137,16 3.546,17 177.375,18 3.275,19 3.121,20 5.245,21 3.659,22 1.307,23 3.254,24 239.749,25 3,26 1.294,27 0.958,28 4.407,29 31.697,30 76.507,31 76.507,32 0.734,33 1.33,34 15.963,35 16.301,36 -0.014,37 3.651,38 0.812,39 3.01,40 6.571,41 6.571,42 3.456,43 -0.012,44 -0.012,45 13.508,46 4.736,47 19.56,48 437.318,49 1.407,50 3.921,51 1.559,52 675.43,53 -0.011,54 1.251,55 3.436,56 206.864,57 1.379,58 47.007,59 2.21,60 2.21,61 207.15,62 13.029,63 130.606,64 1.806,65 1.806,66 1.703,67 10.924,68 18,69 3.515,70 46.458,71 12.478,72 5.504,73 1.313,74 18.809,75 18.809,76 18.809,77 18.809,78 18.809,79 19.238,80 1.476,81 0.685,82 0.685,83 17392,84 4.07,85 1174,86 47.673,87 3.585,88 8.274,89 3.526,90 4.048,91 199.533,92 478.621,93 1.191,94 435,95 -0.029,96 -0.029,97 33.461,98 15.967,99 48.421,100 -0.734,101 -0.734,102 2.187,103 15.282,104 15.282,105 15.282,106 15.282,107 15.282,108 8.732,109 1.088,110 3.906,111 3.443,112 46.383,113 464.473,114 114.657,115 3.609,116 3.7,117 5.014,118 3.374,119 1.095,120 0.095,121 5.183,122 30121,123 6.056,124 1.535,125 5.017,126 150,127 5.476,128 226.801,129 3.18,130 4.781,131 15.97,132 143.114,133 0.75,134 7,135 4.365,136 20.027,137 28,138 3.466,139 3.466,140 5.4}
{0 CHEMBL2000337,1 2,3 3.375,4 3.161,5 3.375,6 3.114,7 7.668,8 3.238,9 3.339,10 0.707,11 78.05,12 12.114,13 5.699,14 1.516,15 2.942,16 3.384,17 135.46,18 3.21,19 2.972,20 4.883,21 3.522,22 0.778,23 2.886,24 212.519,25 5,26 1.155,27 0.456,28 4.118,29 26.691,30 58.118,31 58.118,32 0.76,33 1.022,34 15.249,35 13.059,36 -0.659,37 3.762,38 0.785,39 2.985,40 5.223,41 5.223,42 3.347,43 -0.555,44 -0.555,45 12.114,46 4.579,47 17.057,48 444.121,49 1.37,50 3.669,51 1.436,52 650.75,53 -0.552,54 1.122,55 3.506,56 182.154,57 1.14,58 42.902,59 1.882,60 1.882,61 160.621,62 11.169,63 116.096,64 1.534,65 1.534,66 1.682,67 9.824,68 16.75,69 3.661,70 42.689,71 11.169,72 4.181,73 0.996,74 16.947,75 16.947,76 16.947,77 16.947,78 16.947,79 17.21,80 1.482,81 0.803,82 0.803,83 12904,84 3.963,85 893,86 44.6,87 3.337,88 7.993,89 3.509,90 3.731,91 158.414,92 378.289,93 1.056,94 412,95 -1.523,96 -1.523,97 26.511,98 14.224,99 43.435,100 -1.831,101 -1.831,102 1.634,103 13.815,104 13.815,105 13.815,106 13.815,107 13.815,108 7.491,109 1.609,110 3.763,111 3.319,112 42.667,113 440.965,114 83.557,115 3.479,116 3.55,117 4.868,118 3.267,119 1.222,120 0.222,121 4.632,122 25390,123 5.389,124 1.584,125 4.92,126 136,127 5.38,128 182.131,129 2.877,130 4.62,131 14.167,132 119.826,133 0.5,134 9,135 4.181,136 17.389,137 25,138 3.367,139 3.367,140 4.669}
{0 CHEMBL2000345,3 3.336,4 3.18,5 3.394,6 3.17,7 7.959,8 3.296,9 3.399,10 0.653,11 80.304,12 12.089,13 6.176,14 1.456,15 3.015,16 3.359,17 154.792,18 3.234,19 3.001,20 4.963,21 3.575,22 0.812,23 3.063,24 195.041,25 3,26 1.19,27 0.33,28 4.692,29 26.68,30 64.305,31 64.305,32 0.076,33 1.077,34 13.839,35 14.678,36 -0.617,37 4.11,38 0.52,39 2.509,40 5.821,41 5.821,42 3.324,43 -0.506,44 -0.506,45 11.512,46 4.493,47 16.425,48 386.788,49 1.296,50 3.713,51 1.521,52 595.22,53 -0.408,54 1.122,55 3.679,56 193.367,57 1.193,58 40.592,59 2.094,60 2.094,61 178.302,62 11.17,63 110.039,64 1.531,65 1.531,66 1.671,67 9.192,68 15,69 3.822,70 38.712,71 10.428,72 4.299,73 1.104,74 16.066,75 16.066,76 16.066,77 16.066,78 16.066,79 16.52,80 1.482,81 -1.054,82 -1.054,83 10744,84 3.905,85 800,86 42.577,87 3.374,88 7.877,89 3.464,90 3.512,91 172.268,92 412.093,93 1.056,94 383,95 -1.239,96 -1.239,97 27.847,98 13.428,99 41.229,100 -1.656,101 -1.656,102 1.287,103 12.686,104 12.686,105 12.686,106 12.686,107 12.686,108 7.118,109 1.221,110 3.715,111 3.543,112 38.86,113 410.752,114 95.7,115 3.558,116 3.626,117 4.883,118 3.229,119 1.133,120 0.133,121 4.202,122 19419,123 5.361,124 0.951,125 4.844,126 126,127 5.303,128 189.911,129 3.071,130 4.559,131 13.123,132 113.305,133 0.667,134 5,135 3.694,136 18.267,137 24,138 3.296,139 3.296,140 5.4}
{0 CHEMBL2000354,3 3.274,4 3.06,5 3.331,6 3.044,7 7.688,8 3.143,9 3.129,10 0.659,11 74.082,12 11.56,13 5.779,14 1.383,15 2.881,16 3.326,17 133.466,18 3.085,19 2.89,20 4.866,21 3.483,22 0.779,23 2.815,24 175.757,25 3,26 1.165,27 0.345,28 4.25,29 25.535,30 63.205,31 63.205,32 0.364,33 1.107,34 13.576,35 13.132,36 -0.871,37 3.628,38 0.541,39 2.307,40 5.414,41 5.414,42 3.071,43 -0.651,44 -0.651,45 11.152,46 4.458,47 15.762,48 370.025,49 1.143,50 3.644,51 1.288,52 569.78,53 -0.625,54 1.094,55 3.192,56 169.63,57 1.224,58 37.116,59 1.872,60 1.872,61 157.24,62 10.544,63 100.042,64 1.387,65 1.387,66 1.654,67 9.286,68 14.5,69 3.424,70 36.464,71 9.875,72 4.048,73 1.062,74 15.61,75 15.61,76 15.61,77 15.61,78 15.61,79 16.095,80 1.407,81 -0.735,82 -0.735,83 10390,84 3.869,85 746,86 39.996,87 3.353,88 7.72,89 3.238,90 3.607,91 162.022,92 387.093,93 0.886,94 367,95 -1.605,96 -1.605,97 26.591,98 13.043,99 37.861,100 -2.069,101 -2.069,102 1.156,103 12.299,104 12.299,105 12.299,106 12.299,107 12.299,108 6.841,109 1.01,110 3.649,111 3.166,112 36.519,113 392.151,114 91.11,115 3.264,116 3.515,117 4.771,118 3.188,119 1,121 4.38,122 18673,123 5.139,124 0.945,125 4.779,126 118,127 5.231,128 177.24,129 2.807,130 4.493,131 12.501,132 108.94,133 1,134 4,135 3.562,136 16.587,137 23,138 3.258,139 3.258,140 5.4}
{0 CHEMBL2000393,1 6,2 1,3 3.513,4 3.36,5 3.567,6 3.358,7 9.614,8 3.473,9 3.677,10 1.755,11 96.564,12 14.293,13 7.266,14 1.594,15 3.217,16 3.574,17 187.259,18 3.419,19 3.244,20 5.688,21 3.754,22 2.088,23 3.331,24 317.682,25 2,26 1.336,27 1.591,28 4.969,29 31.959,30 82.082,31 82.082,32 1.199,33 1.155,34 18.581,35 15.919,36 0.913,37 4.119,38 1.325,39 3.54,40 7.475,41 7.475,42 3.686,43 0.662,44 0.662,45 15.097,46 4.895,47 21.3,48 610.504,49 1.517,50 3.997,51 1.455,52 895.73,53 0.611,54 1.273,55 3.831,56 251.34,57 1.461,58 56.192,59 2.321,60 2.321,61 223.624,62 13.04,63 153.58,64 1.92,65 1.92,66 1.741,67 12.146,68 22.75,69 4.03,70 55.741,71 14.201,72 5.475,73 1.181,74 21.309,75 21.309,76 21.309,77 21.309,78 21.309,79 21.944,80 1.556,81 2.462,82 2.462,83 21448,84 4.195,85 1500,86 57.542,87 3.525,88 8.631,89 3.824,90 4.135,91 186.803,92 447.558,93 1.204,94 565,95 1.636,96 1.636,97 31.625,98 18.897,99 58.033,100 1.371,101 1.371,102 2.612,103 17.779,104 17.779,105 17.779,106 17.779,107 17.779,108 9.405,109 1.563,110 3.988,111 3.444,112 55.799,113 597.92,114 105.914,115 3.798,116 3.913,117 5.168,118 3.473,119 1.214,120 0.214,121 5.741,122 42717,123 6.528,124 2.298,125 5.198,126 180,127 5.666,128 241.133,129 3.265,130 4.929,131 18.358,132 157.63,133 0.5,134 9,135 5.344,136 19.372,137 31,138 3.611,139 3.611,140 5.4}
{0 CHEMBL2000408,1 2,2 1,3 3.72,4 3.588,5 3.773,6 3.582,7 10.182,8 3.461,9 4.117,10 1.369,11 96.194,12 14.376,13 8.536,14 1.541,15 3.234,16 3.639,17 217.702,18 3.396,19 3.246,20 5.429,21 3.731,22 1.402,23 3.462,24 309.486,25 6,26 1.35,27 1.214,28 4.932,29 35.878,30 93.621,31 93.621,32 0.931,33 1.363,34 18.318,35 18.318,36 0.348,37 4.296,38 1.146,39 3.47,40 7.066,41 7.066,42 4.026,43 0.34,44 0.34,45 15.181,46 4.896,47 22.109,48 538.661,49 1.456,50 4.199,51 1.64,52 789.86,53 0.294,54 1.292,55 4.041,56 229.357,57 1.652,58 53.597,59 2.398,60 2.398,61 276.192,62 13.606,63 158,64 2.088,65 2.088,66 1.753,67 11.858,68 21.5,69 4.225,70 53.233,71 14.767,72 5.132,73 1.349,74 20.972,75 20.972,76 20.972,77 20.972,78 20.972,79 21.486,80 1.572,81 1.614,82 1.614,83 20913,84 4.191,85 1924,86 54.706,87 3.638,88 8.738,89 4.183,90 4.036,91 219.705,92 527.841,93 1.233,94 502,95 0.477,96 0.477,97 36.978,98 18.107,99 56.043,100 0.235,101 0.235,102 2.283,103 17.17,104 17.17,105 17.17,106 17.17,107 17.17,108 10.005,109 1.335,110 4.021,111 3.614,112 53.174,113 536.371,114 118.112,115 4.226,116 4.226,117 5.121,118 3.503,119 1.095,120 0.095,121 5.562,122 36546,123 6.861,124 1.825,125 5.165,126 174,127 5.631,128 288.192,129 3.327,130 4.967,131 18.129,132 164.748,133 0.75,134 7,135 5.192,136 21.303,137 32,138 3.584,139 3.584,140 7.3}
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{0 CHEMBL2000481,1 1,3 3.703,4 3.552,5 3.733,6 3.603,7 11.562,8 3.511,9 3.767,10 1.487,11 107.78,12 16.707,13 8.96,14 1.585,15 3.264,16 3.678,17 189.115,18 3.464,19 3.254,20 5.348,21 3.907,22 2.469,23 3.308,24 301.177,25 7,26 1.359,27 1.926,28 4.359,29 36.368,30 94.874,31 94.874,32 1.154,33 1.379,34 19.367,35 18.225,36 1.404,37 3.995,38 1.268,39 3.437,40 6.905,41 6.905,42 3.681,43 0.922,44 0.922,45 15.886,46 4.964,47 22.621,48 528.94,49 1.542,50 4.102,51 1.433,52 833.18,53 0.921,54 1.329,55 3.787,56 264.706,57 1.582,58 54.151,59 2.317,60 2.317,61 235.38,62 15.864,63 160.465,64 1.831,65 1.831,66 1.748,67 13.079,68 20.5,69 3.827,70 53.783,71 14.54,72 6.414,73 1.405,74 22.17,75 22.17,76 22.17,77 22.17,78 22.17,79 22.438,80 1.593,81 2.297,82 2.297,83 28407,84 4.225,85 1875,86 57.001,87 3.701,88 8.761,89 3.83,90 4.365,91 227.779,92 547.542,93 1.294,94 537,95 2.275,96 2.275,97 37.585,98 18.129,99 55.62,100 0.357,101 0.357,102 2.5,103 17.715,104 17.715,105 17.715,106 17.715,107 17.715,108 10.074,109 1.42,110 4.041,111 3.719,112 53.799,113 571.603,114 123.931,115 3.94,116 4.049,117 5.173,118 3.531,119 1.091,120 0.091,121 6.108,122 52942,123 7.264,124 2.494,125 5.165,126 174,127 5.624,128 278.399,129 3.301,130 5.017,131 18.695,132 177.649,133 0.75,134 13,135 5.679,136 23.674,137 33,138 3.611,139 3.611,140 5.4}
{0 CHEMBL2000508,1 1,3 3.18,4 3.087,5 3.213,6 3.109,7 7.326,8 2.925,9 2.72,10 0.5,11 68.812,12 10.387,13 5.48,14 1.226,15 2.735,16 3.257,17 98.851,18 2.854,19 2.715,20 4.666,21 3.432,22 0.5,23 2.692,24 174.365,25 2,26 1.135,28 4.131,29 22.742,30 51.606,31 51.606,32 -0.609,33 1.107,34 12.209,35 11.718,36 -1.378,37 3.711,38 0.2,39 2.223,40 4.606,41 4.606,42 2.621,43 -1,44 -1,45 10.326,46 4.35,47 14.673,48 366.536,49 1.062,50 3.732,51 1.181,52 562.95,53 -0.946,54 1.106,55 2.831,56 168.916,57 1.362,58 36.764,59 1.705,60 1.705,61 128.07,62 9.211,63 84.239,64 1.206,65 1.206,66 1.639,67 8.709,68 14,69 3.322,70 36.356,71 9.25,72 4.09,73 1.062,74 14.637,75 14.637,76 14.637,77 14.637,78 14.637,79 15.138,80 1.258,81 -1.567,82 -1.567,83 7219,84 3.806,85 558,86 36.756,87 3.288,88 7.513,89 3.245,90 3.363,91 141.04,92 335.897,93 0.886,94 360,95 -2.347,96 -2.347,97 23.648,98 12.732,99 37.161,100 -2.818,101 -2.818,102 1.148,103 11.886,104 11.886,105 11.886,106 11.886,107 11.886,108 6.443,109 0.985,110 3.619,111 3.306,112 36.375,113 381.35,114 81.269,115 3.409,116 3.733,117 4.781,118 3.105,119 1.1,120 0.1,121 4.163,122 13526,123 4.556,124 0.745,125 4.762,126 116,127 5.22,128 137.58,129 2.619,130 4.362,131 12.261,132 92.245,133 0.75,134 6,135 3.357,136 13.717,137 21,138 3.219,139 3.219,140 6.8}
{0 CHEMBL2000568,3 3.289,4 3.138,5 3.348,6 3.139,7 5.784,8 2.943,9 2.658,10 -0.104,11 53.909,12 8.737,13 4.276,14 1.174,15 2.675,16 3.129,17 98.187,18 2.865,19 2.683,20 4.313,21 3.136,22 0.408,23 2.532,24 131.254,25 2,26 1.04,27 -0.032,28 4.165,29 20.392,30 43.584,31 43.584,32 -0.878,33 0.929,34 10.282,35 9.974,36 -1.5,37 3.018,38 -0.691,39 1.675,40 4.091,41 4.091,42 2.539,43 -1,44 -1,45 8.737,46 4.109,47 12.599,48 270.073,49 1.003,50 3.353,51 1.215,52 402.85,53 -1.094,54 0.996,55 2.44,56 118.491,57 1.33,58 30.69,59 1.534,60 1.534,61 124.942,62 7.955,63 75.059,64 1,65 1,66 1.587,67 7.172,68 11.25,69 2.806,70 30.305,71 7.955,72 3.003,73 0.908,74 12.223,75 12.223,76 12.223,77 12.223,78 12.223,79 12.297,80 1.193,81 -2.51,82 -2.51,83 4573,84 3.639,85 334,86 31.018,87 3.152,88 7.033,89 2.89,90 3.078,91 126.641,92 300.764,93 0.804,94 262,95 -2.582,96 -2.582,97 21.273,98 9.997,99 30.793,100 -4.606,101 -4.606,102 0.615,103 9.877,104 9.877,105 9.877,106 9.877,107 9.877,108 5.736,109 0.314,110 3.486,111 3.175,112 30.242,113 278.045,114 70.479,115 2.992,116 3.187,117 4.605,118 2.961,119 1.133,120 0.133,121 3.386,122 7619,123 3.917,124 0.5,125 4.575,126 96,127 5.03,128 140.452,129 2.481,130 4.145,131 10.315,132 75.527,133 0.667,134 4,135 2.804,136 12.535,137 18,138 3.045,139 3.045,140 5.5}
{0 CHEMBL2000685,3 3.632,4 3.431,5 3.717,6 3.405,7 15.092,8 3.717,9 4.727,10 2.861,11 154.997,12 24.514,13 10.928,14 1.812,15 3.405,16 4.048,17 320.141,18 3.632,19 3.431,20 5.871,21 4.16,22 2.905,23 3.738,24 534.652,25 12,26 1.537,27 2.381,28 3.926,29 57.61,30 150.232,31 150.232,32 2.255,33 1.703,34 28.565,35 28.787,36 1.97,37 4.732,38 2.421,39 4.306,40 8.03,41 8.03,42 4.675,43 1.418,44 1.418,45 24.514,46 5.592,47 34.482,48 834.388,49 1.755,50 4.666,51 1.734,52 1196.92,53 1.362,54 1.47,55 4.747,56 315.189,57 1.47,58 81.143,59 2.601,60 2.601,61 361.174,62 23.093,63 202.423,64 2.301,65 2.301,66 1.864,67 19.725,68 32.5,69 4.717,70 79.986,71 23.093,72 6.702,73 1.741,74 33.308,75 33.308,76 33.308,77 33.308,78 33.308,79 34.012,80 1.778,81 4.052,82 4.052,83 91674,84 4.646,85 7066,86 82.205,87 4.037,88 10.12,89 4.706,90 5.575,91 370.214,92 895.083,93 1.44,94 790,95 3.755,96 3.755,97 59.387,98 27.593,99 82.869,100 3.507,101 3.507,102 3.457,103 26.615,104 26.615,105 26.615,106 26.615,107 26.615,108 14.841,109 2.688,110 4.359,111 3.578,112 80.091,113 849.516,114 197.783,115 4.785,116 4.751,117 5.543,118 3.973,119 1,121 9.476,122 164367,123 11.5,124 3.094,125 5.549,126 256,127 6.004,128 382.393,129 3.575,130 5.671,131 26.109,132 320.287,133 1,134 20,135 7.792,136 38.534,137 52,138 4.007,139 4.007,140 5.9}
{0 CHEMBL2000724,3 3.397,4 3.219,5 3.466,6 3.199,7 7.812,8 3.236,9 3.436,10 0.892,11 75.161,12 12.152,13 5.863,14 1.343,15 3.046,16 3.422,17 139.562,18 3.185,19 3.063,20 5.063,21 3.458,22 1.092,23 3.155,24 215.51,25 2,26 1.151,27 0.574,28 4.124,29 27.434,30 58.389,31 58.389,32 0.125,33 1.199,34 14.47,35 13.485,36 -0.583,37 3.52,38 0.854,39 2.705,40 5.911,41 5.911,42 3.369,43 -0.408,44 -0.408,45 12.152,46 4.579,47 17.279,48 404.707,49 1.281,50 3.821,51 1.321,52 605.89,53 -0.4,54 1.1,55 3.322,56 171.6,57 1.212,58 44.025,59 2.062,60 2.062,61 160.846,62 11.008,63 112.096,64 1.581,65 1.581,66 1.68,67 9.909,68 15.5,69 3.461,70 42.338,71 11.008,72 4.197,73 1.209,74 17.11,75 17.11,76 17.11,77 17.11,78 17.11,79 17.295,80 1.356,81 -0.645,82 -0.645,83 11813,84 3.966,85 872,86 45.197,87 3.432,88 7.979,89 3.514,90 3.692,91 169.088,92 404.336,93 1.07,94 392,95 -0.838,96 -0.838,97 28.284,98 14.077,99 43.844,100 -1.2,101 -1.2,102 2.227,103 13.764,104 13.764,105 13.764,106 13.764,107 13.764,108 7.743,109 1.057,110 3.792,111 3.323,112 42.387,113 416.784,114 96.556,115 3.595,116 3.726,117 4.973,118 3.268,119 1.095,120 0.095,121 4.618,122 21171,123 5.472,124 1.127,125 4.92,126 136,127 5.38,128 187.376,129 3.019,130 4.613,131 14.286,132 119.768,133 0.75,134 8,135 3.929,136 17.389,137 25,138 3.367,139 3.367,140 5.4}
{0 CHEMBL2000801,3 3.462,4 3.238,5 3.503,6 3.239,7 9.47,8 3.341,9 3.403,10 1.319,11 95.403,12 13.141,13 7.225,14 1.409,15 3.148,16 3.54,17 149.301,18 3.297,19 3.162,20 5.439,21 3.747,22 1.468,23 3.232,24 263.82,25 3,26 1.224,27 1.145,28 4.182,29 31.187,30 80.23,31 80.23,32 0.846,33 1.107,34 17.071,35 15.943,36 0.271,37 3.764,38 1,39 3.177,40 7.093,41 7.093,42 3.388,43 0.23,44 0.23,45 14.309,46 4.82,47 20.017,48 559.148,49 1.382,50 3.812,51 1.339,52 835.12,53 0.206,54 1.185,55 3.539,56 230.166,57 1.256,58 50.821,59 2.364,60 2.364,61 179.845,62 12.028,63 138.452,64 1.804,65 1.804,66 1.722,67 11.429,68 19,69 3.768,70 50.002,71 13.936,72 5.146,73 1.102,74 19.781,75 19.781,76 19.781,77 19.781,78 19.781,79 20.325,80 1.406,81 1.334,82 1.334,83 25221,84 4.132,85 1414,86 50.816,87 3.532,88 8.479,89 3.47,90 4.16,91 190.737,92 457.159,93 1.075,94 526,95 0.575,96 0.575,97 31.199,98 17.269,99 50.949,100 -0.128,101 -0.128,102 2.5,103 16.304,104 16.304,105 16.304,106 16.304,107 16.304,108 8.6,109 1.429,110 3.913,111 3.487,112 50.235,113 560.387,114 108.031,115 3.504,116 3.685,117 5.078,118 3.44,119 1.095,120 0.095,121 5.425,122 52797,123 6.361,124 1.988,125 5.094,126 162,127 5.557,128 211.065,129 3.304,130 4.884,131 16.499,132 156.944,133 0.75,134 7,135 5.91,136 18.286,137 30,138 3.526,139 3.526,140 5.4}
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{0 CHEMBL2001019,1 3,3 3.516,4 3.398,5 3.569,6 3.399,7 8.836,8 3.458,9 3.531,10 1.317,11 87.356,12 13.797,13 6.396,14 1.487,15 3.216,16 3.487,17 173.056,18 3.404,19 3.221,20 5.289,21 3.632,22 2.047,23 3.118,24 251.869,25 5,26 1.35,27 1.557,28 4.951,29 29.993,30 71.504,31 71.504,32 0.709,33 1.351,34 16.7,35 14.842,36 0.896,37 3.75,38 0.804,39 3.171,40 6.731,41 6.731,42 3.511,43 0.612,44 0.612,45 13.797,46 4.769,47 19.522,48 494.535,49 1.483,50 3.755,51 1.478,52 726.42,53 0.577,54 1.31,55 3.593,56 203.536,57 1.483,58 48.42,59 2.242,60 2.242,61 217.85,62 12.282,63 134.606,64 1.618,65 1.618,66 1.709,67 11.66,68 19.25,69 3.737,70 48.051,71 12.282,72 4.485,73 1.387,74 19.627,75 19.627,76 19.627,77 19.627,78 19.627,79 20.024,80 1.488,81 1.507,82 1.507,83 17055,84 4.091,85 1264,86 48.277,87 3.466,88 8.297,89 3.6,90 4.131,91 182.207,92 436.346,93 1.213,94 468,95 1.491,96 1.491,97 30.546,98 16.506,99 48.87,100 -0.078,101 -0.078,102 2.19,103 15.823,104 15.823,105 15.823,106 15.823,107 15.823,108 8.674,109 1.326,110 3.857,111 3.429,112 48.061,113 497.202,114 102.785,115 3.609,116 3.672,117 5.047,118 3.375,119 1.167,120 0.167,121 5.508,122 30998,123 6.111,124 2.09,125 5.043,126 154,127 5.501,128 234.215,129 3.206,130 4.776,131 16.127,132 141.181,133 0.6,134 8,135 4.415,136 18.924,137 28,138 3.497,139 3.497,140 5.4}
{0 CHEMBL2001149,3 3.792,4 3.738,5 3.817,6 3.744,7 11.185,8 3.433,9 3.734,10 1.945,11 103.485,12 16.511,13 8.871,14 1.569,15 3.26,16 3.722,17 160.688,18 3.394,19 3.255,20 5.552,21 3.827,22 2.5,23 3.484,24 311.041,25 4,26 1.349,27 2,28 3.765,29 36.39,30 82.024,31 82.024,32 1,33 1.154,34 19.023,35 18.097,36 1.5,37 3.921,38 1.381,39 3.414,40 7.57,41 7.57,42 3.623,43 1,44 1,45 16.102,46 4.997,47 23.169,48 544.944,49 1.531,50 4.032,51 1.427,52 840.34,53 1,54 1.304,55 3.748,56 254.747,57 1.833,58 58.473,59 2.473,60 2.473,61 191.991,62 15.832,63 126.465,64 2.095,65 2.095,66 1.743,67 13.127,68 21.5,69 3.824,70 57.982,71 15.137,72 6.44,73 1.188,74 22.668,75 22.668,76 22.668,77 22.668,78 22.668,79 23.148,80 1.544,81 2.275,82 2.275,83 30226,84 4.255,85 1920,86 60.862,87 3.746,88 8.73,89 3.797,90 4.68,91 221.128,92 531.312,93 1.283,94 542,95 2.275,96 2.275,97 37.909,98 19.714,99 58.738,100 1.183,101 1.183,102 2.683,103 18.817,104 18.817,105 18.817,106 18.817,107 18.817,108 10.346,109 1.539,110 4.108,111 3.732,112 58.014,113 572.158,114 129.178,115 3.947,116 4.017,117 5.242,118 3.531,119 1.133,120 0.133,121 6.346,122 56034,123 6.944,124 2.5,125 5.231,126 186,127 5.694,128 223.294,129 3.396,130 5.016,131 19.689,132 179.975,133 0.667,134 6,135 5.336,136 22.717,137 33,138 3.664,139 3.664,140 5.4}
{0 CHEMBL2001224,3 3.464,4 3.252,5 3.513,6 3.209,7 8.697,8 3.262,9 3.719,10 0.832,11 81.924,12 12.835,13 6.507,14 1.619,15 3.024,16 3.423,17 171.195,18 3.195,19 3.035,20 5.204,21 3.555,22 1.023,23 2.998,24 208.289,25 4,26 1.336,27 0.666,28 4.579,29 29.052,30 76.488,31 76.488,32 0.618,33 1.167,34 15.673,35 15.007,36 -0.326,37 3.885,38 0.711,39 2.7,40 6.496,41 6.496,42 3.613,43 -0.283,44 -0.283,45 12.546,46 4.628,47 17.956,48 409.708,49 1.372,50 3.721,51 1.546,52 610.06,53 -0.264,54 1.284,55 3.787,56 177.016,57 1.496,58 42.206,59 2.227,60 2.227,61 201.46,62 11.575,63 118.211,64 1.598,65 1.598,66 1.692,67 10.362,68 17.25,69 3.838,70 40.951,71 11.204,72 4.52,73 1.198,74 17.472,75 17.472,76 17.472,77 17.472,78 17.472,79 17.92,80 1.584,81 -0.154,82 -0.154,83 14026,84 3.983,85 1110,86 44.75,87 3.427,88 8.1,89 3.751,90 3.825,91 185.203,92 443.654,93 1.15,94 396,95 -0.744,96 -0.744,97 30.125,98 14.58,99 41.968,100 -0.948,101 -0.948,102 1.618,103 13.766,104 13.766,105 13.766,106 13.766,107 13.766,108 8.232,109 1.152,110 3.769,111 3.481,112 41.087,113 422.483,114 96.578,115 3.854,116 3.81,117 4.875,118 3.304,119 1,121 4.899,122 25052,123 5.806,124 1.341,125 4.89,126 132,127 5.342,128 215.46,129 3.178,130 4.67,131 14.419,132 128.063,133 1,134 2,135 4.024,136 19.018,137 26,138 3.367,139 3.367,140 5.4}
{0 CHEMBL2001239,1 3,2 2,3 3.638,4 3.405,5 3.667,6 3.34,7 8.694,8 3.296,9 3.755,10 1.015,11 93.828,12 13.207,13 6.448,14 1.41,15 3.003,16 3.471,17 181.544,18 3.222,19 3.019,20 5.169,21 3.7,22 1.194,23 3.184,24 262.218,25 5,26 1.108,27 0.789,28 4.772,29 30.696,30 89.589,31 89.589,32 0.77,33 1.157,34 16.899,35 15.791,36 -0.128,37 4.149,38 1,39 3.056,40 6.401,41 6.401,42 3.796,43 -0.104,44 -0.104,45 14.13,46 4.8,47 19.469,48 560.065,49 1.298,50 3.899,51 1.232,52 827.93,53 -0.081,54 1.063,55 4.15,56 214.582,57 1.404,58 48.848,59 2.231,60 2.231,61 209.95,62 12.393,63 138.452,64 1.804,65 1.804,66 1.736,67 11.117,68 20.25,69 4.25,70 48.008,71 13.858,72 4.14,73 1.178,74 19.281,75 19.281,76 19.281,77 19.281,78 19.281,79 20.026,80 1.368,81 0.6,82 0.6,83 22808,84 4.115,85 1532,86 49.07,87 3.419,88 8.551,89 3.898,90 3.969,91 192.664,92 461.86,93 1.01,94 520,95 -0.252,96 -0.252,97 30.182,98 17.104,99 49.746,100 -0.745,101 -0.745,102 1.887,103 15.762,104 15.762,105 15.762,106 15.762,107 15.762,108 8.147,109 1.216,110 3.82,111 3.659,112 48.417,113 556.634,114 106.195,115 3.874,116 3.915,117 5.014,118 3.441,119 1,121 5.308,122 48806,123 6.417,124 1.518,125 5.056,126 156,127 5.517,128 223.46,129 3.162,130 4.875,131 15.426,132 153.062,133 1,134 5,135 6.084,136 19.889,137 30,138 3.497,139 3.497,140 5.4}
{0 CHEMBL2001257,3 3.732,4 3.562,5 3.806,6 3.564,7 12.481,8 3.504,9 4.207,10 1.618,11 109.158,12 17.432,13 9.079,14 1.619,15 3.334,16 3.785,17 250.177,18 3.46,19 3.322,20 5.373,21 3.847,22 2.273,23 3.464,24 317.901,25 6,26 1.439,27 1.666,28 4.859,29 41.33,30 96.903,31 96.903,32 1,33 1.523,34 20.74,35 21,36 1.15,37 4.056,38 1.167,39 3.414,40 6.774,41 6.774,42 4.059,43 0.827,44 0.827,45 16.978,46 5.06,47 24.819,48 492.966,49 1.584,50 4.287,51 1.725,52 760.75,53 0.675,54 1.418,55 4.03,56 242.034,57 1.61,58 56.701,59 2.429,60 2.429,61 310.98,62 15.43,63 169.525,64 2.089,65 2.089,66 1.764,67 14.048,68 21.75,69 4.033,70 55.608,71 14.906,72 6.788,73 1.505,74 23.825,75 23.825,76 23.825,77 23.825,78 23.825,79 24.352,80 1.638,81 2.275,82 2.275,83 30062,84 4.283,85 2525,86 57.439,87 3.839,88 8.926,89 4.049,90 4.634,91 260.825,92 628.173,93 1.351,94 491,95 2.054,96 2.054,97 44.267,98 19.392,99 58.33,100 0.791,101 0.791,102 2.561,103 18.63,104 18.63,105 18.63,106 18.63,107 18.63,108 11.573,109 1.813,110 4.131,111 3.635,112 55.5,113 522.842,114 147.412,115 4.154,116 4.157,117 5.201,118 3.588,119 1.095,120 0.095,121 6.508,122 48168,123 7.889,124 2.5,125 5.198,126 180,127 5.652,128 332.98,129 3.358,130 5.093,131 19.907,132 193.362,133 0.75,134 8,135 5.337,136 25.139,137 35,138 3.664,139 3.664,140 5.9}
{0 CHEMBL2001288,1 3,3 3.19,4 2.982,5 3.241,6 3.046,7 6.888,8 3.109,9 2.8,10 -0.109,11 75.634,12 10.407,13 5.444,14 1.221,15 2.787,16 3.118,17 126.226,18 3.009,19 2.77,20 4.933,21 3.612,22 -0.017,23 2.629,24 161.066,25 2,26 0.888,27 -0.3,28 4.515,29 21.39,30 64.152,31 64.152,32 -0.488,33 0.972,34 12.062,35 12.245,36 -1.283,37 4.14,38 -0.224,39 2.208,40 5.375,41 5.375,42 2.576,43 -1.149,44 -1.149,45 9.541,46 4.214,47 13.471,48 359.118,49 1.126,50 3.585,51 1.139,52 557.02,53 -0.969,54 0.826,55 3.332,56 217.302,57 1.072,58 34.006,59 1.876,60 1.876,61 144.49,62 9.925,63 86.439,64 1.176,65 1.176,66 1.625,67 7.413,68 14.25,69 3.858,70 33.844,71 8.812,72 3.989,73 0.998,74 13.284,75 13.284,76 13.284,77 13.284,78 13.284,79 13.901,80 1.204,81 -2.263,82 -2.263,83 6604,84 3.728,85 444,86 34.991,87 3.107,88 7.373,89 3.044,90 3.05,91 140.345,92 334.203,93 0.795,94 347,95 -3.031,96 -3.031,97 22.551,98 11.895,99 36.812,100 -3.44,101 -3.44,102 0.776,103 10.718,104 10.718,105 10.718,106 10.718,107 10.718,108 5.708,109 0.565,110 3.53,111 3.245,112 34.111,113 368.925,114 77.403,115 3.221,116 3.431,117 4.62,118 3.06,119 1.143,120 0.143,121 3.358,122 13142,123 4.389,124 0.36,125 4.71,126 110,127 5.176,128 154,129 2.737,130 4.296,131 11.369,132 85.768,133 0.667,134 3,135 3.414,136 15.939,137 20,138 3.135,139 3.135,140 5.4}
{0 CHEMBL2001485,1 1,3 3.821,4 3.708,5 3.857,6 3.702,7 13.254,8 3.684,9 4.251,10 2.42,11 121.267,12 19.161,13 10.43,14 1.703,15 3.424,16 3.863,17 272.822,18 3.619,19 3.437,20 5.578,21 3.971,22 2.5,23 3.563,24 386.26,25 6,26 1.466,27 2,28 5.014,29 44.561,30 110.533,31 110.533,32 1.131,33 1.535,34 22.549,35 22.913,36 1.5,37 4.208,38 1.574,39 3.922,40 7.569,41 7.569,42 4.146,43 1,44 1,45 18.706,46 5.202,47 27.303,48 608.416,49 1.632,50 4.417,51 1.719,52 928.11,53 1,54 1.44,55 4.194,56 289.55,57 1.647,58 66.102,59 2.566,60 2.566,61 340.928,62 18.004,63 196.131,64 2.221,65 2.221,66 1.79,67 14.897,68 25.25,69 4.188,70 65.102,71 17.48,72 7.509,73 1.533,74 25.947,75 25.947,76 25.947,77 25.947,78 25.947,79 26.466,80 1.708,81 2.731,82 2.731,83 41774,84 4.392,85 3319,86 67.381,87 3.896,88 9.239,89 4.173,90 4.873,91 277.681,92 669.302,93 1.402,94 596,95 2.275,96 2.275,97 46.972,98 21.949,99 67.935,100 2.275,101 2.275,102 2.561,103 21.151,104 21.151,105 21.151,106 21.151,107 21.151,108 12.288,109 2.004,110 4.243,111 3.799,112 65.089,113 637.391,114 156.799,115 4.279,116 4.306,117 5.336,118 3.693,119 1.077,120 0.077,121 7.045,122 71740,123 8.417,124 2.5,125 5.352,126 210,127 5.814,128 358.928,129 3.545,130 5.249,131 22.362,132 221.751,133 0.8,134 6,135 6.145,136 28.035,137 39,138 3.784,139 3.784,140 5.4}
{0 CHEMBL2001539,3 2.592,4 2.407,5 2.691,6 2.444,7 4.919,8 2.493,11 41.192,12 6.404,13 4.028,14 0.969,15 2.329,16 2.804,17 71.684,18 2.418,19 2.259,20 3.516,21 2.982,22 -0.878,23 1.682,24 78.766,26 0.861,27 -1.096,28 3.922,29 13.81,30 31.909,31 31.909,32 -1.782,33 0.122,34 7.319,35 7.318,36 -2.762,37 0.437,38 -1.707,39 0.548,40 2.642,41 2.642,43 -2,44 -2,45 5.949,46 3.557,47 8.801,48 187.499,49 0.511,50 2.583,51 0.989,52 300.56,53 -2,54 0.805,56 105.12,57 0.958,58 21.676,59 1.139,60 1.139,61 78.439,62 5.87,63 43.02,64 0.404,65 0.404,66 1.463,67 4.985,68 7.5,69 0.007,70 21.42,71 5.287,72 3.335,73 0.033,74 8.5,75 8.5,76 8.5,77 8.5,78 8.5,79 8.763,80 1.051,81 -5.536,82 -5.536,83 1445,84 3.27,85 76,86 21.337,87 2.881,88 5.889,89 0.067,90 2.509,91 87.931,92 206.312,93 0.162,94 194,95 -7.212,96 -7.212,97 14.943,98 7.338,99 21.493,102 -0.336,103 6.926,104 6.926,105 6.926,106 6.926,107 6.926,108 4.085,109 -1.515,110 3.204,111 2.69,112 21.39,113 204.927,114 51.822,115 0.135,116 1.331,117 4.212,118 2.606,119 1.333,120 0.333,121 2.338,122 2286,123 2.583,124 -0.663,125 4.234,126 68,127 4.691,128 82.439,129 2.09,130 3.57,131 7.685,132 40.003,133 0.333,134 2,135 1.925,136 8.32,137 12,138 2.708,139 2.708,140 5.1}
{0 CHEMBL2001547,1 2,2 1,3 3.679,4 3.528,5 3.731,6 3.528,7 9.876,8 3.528,9 4.045,10 1.302,11 93.533,12 13.96,13 7.786,14 1.643,15 3.282,16 3.598,17 207.068,18 3.45,19 3.277,20 5.443,21 3.703,22 1.593,23 3.21,24 296.221,25 6,26 1.429,27 1.304,28 4.85,29 34.351,30 89.855,31 89.855,32 0.876,33 1.337,34 17.895,35 17.395,36 0.419,37 4.242,38 0.965,39 3.319,40 7.115,41 7.115,42 3.965,43 0.344,44 0.344,45 14.764,46 4.859,47 21.334,48 535.824,49 1.429,50 4.131,51 1.69,52 780.04,53 0.329,54 1.355,55 3.993,56 221.246,57 1.61,58 52.225,59 2.39,60 2.39,61 257.05,62 13.194,63 151.58,64 1.847,65 1.847,66 1.746,67 11.75,68 21,69 4.187,70 51.608,71 14.355,72 4.714,73 1.332,74 20.472,75 20.472,76 20.472,77 20.472,78 20.472,79 21.026,80 1.672,81 1.518,82 1.518,83 19356,84 4.163,85 1759,86 52.496,87 3.59,88 8.649,89 4.124,90 3.981,91 210.113,92 504.435,93 1.233,94 498,95 0.61,96 0.61,97 35.216,98 17.736,99 53.676,102 2.261,103 16.736,104 16.736,105 16.736,106 16.736,107 16.736,108 9.704,109 1.342,110 3.971,111 3.561,112 51.735,113 529.436,114 113.578,115 4.163,116 4.177,117 5.091,118 3.473,119 1.095,120 0.095,121 5.503,122 34283,123 6.653,124 1.762,125 5.13,126 168,127 5.595,128 277.315,129 3.32,130 4.921,131 17.458,132 157.7,133 0.75,134 7,135 5.064,136 20.433,137 31,138 3.555,139 3.555,140 6.8}
{0 CHEMBL2001584,1 2,3 3.782,4 3.646,5 3.825,6 3.629,7 14.507,8 3.757,9 4.412,10 2.5,11 132.215,12 21.045,13 11.791,14 1.848,15 3.514,16 3.988,17 314.852,18 3.709,19 3.529,20 6.043,21 4.028,22 2.613,23 3.638,24 453.251,25 8,26 1.653,27 2.14,28 5.04,29 51.11,30 124.585,31 124.585,32 1.856,33 1.493,34 26.44,35 25.386,36 1.581,37 4.454,38 1.922,39 3.943,40 8.64,41 8.64,42 4.344,43 1.121,44 1.121,45 21.045,46 5.371,47 30.919,48 642.666,49 1.764,50 4.589,51 1.84,52 960.51,53 1.134,54 1.601,55 4.299,56 298.482,57 1.682,58 73.971,59 2.747,60 2.747,61 408.205,62 19.719,63 227.46,64 2.289,65 2.289,66 1.821,67 16.82,68 28.5,69 4.426,70 72.426,71 19.719,72 7.661,73 1.477,74 29.203,75 29.203,76 29.203,77 29.203,78 29.203,79 29.697,80 1.841,81 3.304,82 3.304,83 55220,84 4.507,85 4678,86 76.604,87 4.004,88 9.605,89 4.425,90 5.166,91 312.912,92 755.266,93 1.611,94 614,95 3.121,96 3.121,97 53.483,98 24.289,99 74.887,100 2.275,101 2.275,102 2.917,103 23.568,104 23.568,105 23.568,106 23.568,107 23.568,108 14.295,109 2.161,110 4.377,111 3.723,112 72.448,113 657.007,114 171.619,115 4.482,116 4.543,117 5.414,118 3.81,119 1,121 7.845,122 92690,123 9.556,124 2.69,125 5.46,126 234,127 5.922,128 439.489,129 3.752,130 5.425,131 25.378,132 258.36,133 1,134 10,135 7.067,136 31.432,137 44,138 3.892,139 3.892,140 5.4}
{0 CHEMBL2001751,3 3.79,4 3.668,5 3.815,6 3.652,7 11.737,8 3.683,9 4.045,10 2.294,11 109.862,12 17.636,13 8.832,14 1.756,15 3.48,16 3.805,17 236.226,18 3.621,19 3.476,20 5.354,21 3.848,22 2.588,23 3.442,24 351.258,25 7,26 1.597,27 2.05,28 5.187,29 40.498,30 90.738,31 90.738,32 1.217,33 1.59,34 21.495,35 19.401,36 1.628,37 4.13,38 1.254,39 3.582,40 6.936,41 6.936,42 3.969,43 1.103,44 1.103,45 17.636,46 5.125,47 25.415,48 561.426,49 1.616,50 4.239,51 1.714,52 836.3,53 1.041,54 1.569,55 3.94,56 251.742,57 1.626,58 62.785,59 2.438,60 2.438,61 311.194,62 16.017,63 186.117,64 2.03,65 2.03,66 1.771,67 14.701,68 23.5,69 3.998,70 61.872,71 16.017,72 6.3,73 1.586,74 24.894,75 24.894,76 24.894,77 24.894,78 24.894,79 25.175,80 1.733,81 2.748,82 2.748,83 34295,84 4.335,85 2534,86 63.515,87 3.811,88 9.017,89 4.057,90 4.849,91 242.77,92 584.12,93 1.413,94 539,95 2.551,96 2.551,97 42,98 20.752,99 62.445,100 1.93,101 1.93,102 2.685,103 20.301,104 20.301,105 20.301,106 20.301,107 20.301,108 11.596,109 1.589,110 4.193,111 3.74,112 61.825,113 570.758,114 137.858,115 4.14,116 4.211,117 5.287,118 3.615,119 1.138,120 0.138,121 7.043,122 60587,123 7.75,124 2.618,125 5.293,126 198,127 5.753,128 346.413,129 3.395,130 5.143,131 21.416,132 199.567,133 0.667,134 7,135 5.797,136 24.485,137 36,138 3.738,139 3.738,140 6.4}
{0 CHEMBL2001920,3 2.926,4 2.829,5 2.973,6 2.889,7 6.965,8 2.756,9 2.093,10 -0.214,11 68.663,12 9.833,13 6.295,14 0.964,15 2.715,16 3.068,17 86.532,18 2.796,19 2.68,20 4.782,21 3.51,22 -0.018,23 2.628,24 138.551,26 0.805,27 -0.547,28 4.143,29 18.925,30 48.379,31 48.379,32 -0.381,33 0.353,34 10.448,35 11.962,36 -1.647,37 4.077,38 0.144,39 2,40 4.991,41 4.991,42 1.678,43 -1.315,44 -1.315,45 8.559,46 4.071,47 12.203,48 330.627,49 0.838,50 3.315,51 0.996,52 551.72,53 -1.07,54 0.78,55 3.118,56 188.145,57 1.032,58 31.33,59 1.772,60 1.772,61 95.287,62 10.379,63 75.059,64 1.167,65 1.167,66 1.595,67 6.698,68 11.5,69 3.537,70 31,71 8.35,72 4.296,73 0.312,74 11.809,75 11.809,76 11.809,77 11.809,78 11.809,79 12.323,80 1.007,81 -2.936,82 -2.936,83 5359,84 3.63,85 344,86 35.488,87 3.123,88 7.071,89 2.447,90 2.924,91 129.371,92 307.425,93 0.731,94 349,95 -3.322,96 -3.322,97 20.091,98 10.775,99 33.025,100 -4.658,101 -4.658,102 0.694,103 9.866,104 9.866,105 9.866,106 9.866,107 9.866,108 5.042,109 0.817,110 3.476,111 3.389,112 31.173,113 371.511,114 78.272,115 2.645,116 3.146,117 4.61,118 2.963,119 1.143,120 0.143,121 3.195,122 11349,123 3.806,124 0.457,125 4.615,126 100,127 5.081,128 104.042,129 2.698,130 4.144,131 10.252,132 73.706,133 0.667,134 4,135 2.971,136 14.715,137 18,138 3.045,139 3.045,140 5.8}
{0 CHEMBL2001923,3 3.908,4 3.827,5 3.931,6 3.82,7 16.37,8 3.832,9 4.511,10 2.783,11 153.891,12 23.175,13 12.348,14 1.923,15 3.74,16 4.109,17 318.891,18 3.805,19 3.74,20 6.121,21 4.192,22 2.977,23 3.686,24 563.669,25 8,26 1.803,27 2.491,28 5.1,29 55.303,30 134.069,31 134.069,32 1.941,33 1.661,34 30.134,35 26.888,36 2.029,37 4.532,38 2.277,39 4.468,40 8.995,41 8.995,42 4.481,43 1.525,44 1.525,45 24.39,46 5.591,47 35.187,48 829.333,49 1.845,50 4.699,51 1.881,52 1215.39,53 1.471,54 1.776,55 4.551,56 366.032,57 1.866,58 86.723,59 2.777,60 2.777,61 418.194,62 20.766,63 268.193,64 2.442,65 2.442,66 1.848,67 20.02,68 33.5,69 4.551,70 86.143,71 22.413,72 9.13,73 1.682,74 34.341,75 34.341,76 34.341,77 34.341,78 34.341,79 35.132,80 1.91,81 4.518,82 4.518,83 90641,84 4.662,85 6522,86 89.142,87 4.105,88 9.951,89 4.522,90 5.871,91 325.514,92 786.013,93 1.628,94 776,95 4.206,96 4.206,97 56.625,98 29.512,99 88.032,100 3.646,101 3.646,102 3.232,103 28.175,104 28.175,105 28.175,106 28.175,107 28.175,108 16.102,109 2.475,110 4.51,111 3.873,112 86.199,113 822.113,114 185.299,115 4.562,116 4.634,117 5.589,118 3.934,119 1.143,120 0.143,121 9.57,122 169376,123 10.694,124 2.995,125 5.631,126 278,127 6.094,128 474.564,129 3.765,130 5.607,131 29.913,132 306.747,133 0.625,134 8,135 8.419,136 31.581,137 50,138 4.06,139 4.06,140 5.4}
{0 CHEMBL2001957,1 3,2 1,3 3.718,4 3.578,5 3.769,6 3.565,7 10.569,8 3.625,9 4.094,10 1.722,11 106.811,12 15.02,13 8.587,14 1.715,15 3.261,16 3.67,17 233.091,18 3.58,19 3.317,20 5.881,21 3.837,22 1.826,23 3.488,24 342.323,25 8,26 1.382,27 1.632,28 4.958,29 37.359,30 104.816,31 104.816,32 1.134,33 1.344,34 20.31,35 18.844,36 0.777,37 4.451,38 1.191,39 3.467,40 8.204,41 8.204,42 4.066,43 0.72,44 0.72,45 16.561,46 5.027,47 23.512,48 639.43,49 1.458,50 4.171,51 1.562,52 926.61,53 0.653,54 1.339,55 4.179,56 251.438,57 1.637,58 58.218,59 2.656,60 2.656,61 282.6,62 13.532,63 168.77,64 2.137,65 2.137,66 1.775,67 13.017,68 24,69 4.349,70 57.633,71 16.464,72 5.051,73 1.349,74 22.834,75 22.834,76 22.834,77 22.834,78 22.834,79 23.683,80 1.654,81 2.275,82 2.275,83 30663,84 4.278,85 2556,86 58.957,87 3.632,88 8.995,89 4.211,90 4.309,91 226.098,92 543.439,93 1.258,94 579,95 1.621,96 1.621,97 37.307,98 20.246,99 59.363,100 1.234,101 1.234,102 2.5,103 18.674,104 18.674,105 18.674,106 18.674,107 18.674,108 10.307,109 1.462,110 4.044,111 3.621,112 57.75,113 618.64,114 120.939,115 4.207,116 4.227,117 5.185,118 3.589,119 1.095,120 0.095,121 6.123,122 59711,123 7.458,124 2.276,125 5.242,126 188,127 5.707,128 296.21,129 3.608,130 5.093,131 19.102,132 186.758,133 0.75,134 8,135 6.308,136 21.847,137 35,138 3.664,139 3.664,140 8.2}
{0 CHEMBL2001987,3 3.394,4 3.182,5 3.442,6 3.127,7 7.105,8 3.311,9 3.17,10 0.672,11 79.757,12 10.22,13 5.096,14 1.401,15 2.963,16 3.305,17 129.609,18 3.264,19 3.019,20 5.138,21 3.537,22 0.904,23 2.902,24 216.892,25 2,26 1.061,27 0.389,28 4.322,29 25.351,30 67.386,31 67.386,32 0.51,33 0.946,34 14.548,35 12.734,36 -0.796,37 3.623,38 0.664,39 2.73,40 6.071,41 6.071,42 3.217,43 -0.564,44 -0.564,45 12.253,46 4.592,47 16.606,48 539.092,49 1.157,50 3.387,51 1.155,52 768.53,53 -0.525,54 1.021,55 3.415,56 188.669,57 1.204,58 42.949,59 2.134,60 2.134,61 151.26,62 9.114,63 117.457,64 1.528,65 1.528,66 1.69,67 9.633,68 17.5,69 3.642,70 42.248,71 12.136,72 3.321,73 0.972,74 16.764,75 16.764,76 16.764,77 16.764,78 16.764,79 17.329,80 1.315,81 -0.679,82 -0.679,83 16553,84 3.979,85 932,86 43.382,87 3.226,88 8.099,89 3.23,90 3.647,91 152.886,92 364.801,93 0.905,94 479,95 -1.491,96 -1.491,97 23.972,98 14.862,99 43.77,100 -1.965,101 -1.965,102 1.253,103 13.813,104 13.813,105 13.813,106 13.813,107 13.813,108 6.9,109 1.189,110 3.651,111 3.362,112 42.421,113 510.61,114 80.604,115 3.145,116 3.227,117 4.907,118 3.304,119 1.125,120 0.125,121 4.553,122 36635,123 5.528,124 1.171,125 4.934,126 138,127 5.398,128 170.77,129 3.068,130 4.679,131 13.33,132 127.11,133 0.667,134 4,135 5.153,136 14.656,137 26,138 3.367,139 3.367,140 5.4}
{0 CHEMBL2001998,1 1,3 3.659,4 3.51,5 3.707,6 3.49,7 11.549,8 3.625,9 3.951,10 2,11 104.886,12 16.657,13 8.551,14 1.66,15 3.361,16 3.727,17 236.335,18 3.558,19 3.367,20 5.313,21 3.803,22 2.402,23 3.398,24 312.6,25 6,26 1.512,27 1.933,28 4.954,29 38.847,30 95.645,31 95.645,32 1.146,33 1.503,34 21.452,35 19.174,36 1,37 3.869,38 1.247,39 3.414,40 6.85,41 6.85,42 3.857,43 0.966,44 0.966,45 16.657,46 5.033,47 24.24,48 515.753,49 1.649,50 4.189,51 1.677,52 763.22,53 0.932,54 1.474,55 3.779,56 235.804,57 1.488,58 58.131,59 2.4,60 2.4,61 302.191,62 14.547,63 168.974,64 1.979,65 1.979,66 1.752,67 13.817,68 23,69 3.812,70 56.625,71 14.547,72 6.497,73 1.54,74 23.618,75 23.618,76 23.618,77 23.618,78 23.618,79 24.182,80 1.671,81 2.275,82 2.275,83 31249,84 4.271,85 2238,86 60.686,87 3.735,88 8.819,89 3.886,90 4.699,91 236.963,92 569.95,93 1.362,94 491,95 2.275,96 2.275,97 40.563,98 19.458,99 58.775,100 1.321,101 1.321,102 2.5,103 18.629,104 18.629,105 18.629,106 18.629,107 18.629,108 11.362,109 1.9,110 4.115,111 3.602,112 56.633,113 521.51,114 129.654,115 3.98,116 4.073,117 5.178,118 3.56,119 1.167,120 0.167,121 6.406,122 54307,123 7.583,124 2.408,125 5.209,126 182,127 5.666,128 329.02,129 3.331,130 5.052,131 20.186,132 187.576,133 0.6,134 6,135 5.341,136 23.493,137 34,138 3.664,139 3.664,140 5.4}
{0 CHEMBL2002099,1 1,3 3.473,4 3.33,5 3.534,6 3.327,7 8.061,8 3.356,9 3.408,10 0.693,11 70.932,12 11.365,13 6.145,14 1.568,15 3.035,16 3.361,17 153.03,18 3.275,19 3.067,20 4.594,21 3.419,22 0.902,23 2.878,24 191.674,25 4,26 1.367,27 0.402,28 4.577,29 26.289,30 59.604,31 59.604,32 0.443,33 1.414,34 14.344,35 12.813,36 -0.751,37 3.475,38 0.618,39 2.786,40 4.488,41 4.488,42 3.326,43 -0.539,44 -0.539,45 11.365,46 4.483,47 16.561,48 343.124,49 1.456,50 3.876,51 1.608,52 506.56,53 -0.505,54 1.305,55 3.265,56 160.435,57 1.402,58 39.944,59 1.661,60 1.661,61 187.66,62 9.78,63 100.042,64 1.255,65 1.255,66 1.66,67 9.756,68 15.5,69 3.14,70 38.937,71 9.78,72 4.813,73 1.442,74 16.215,75 16.215,76 16.215,77 16.215,78 16.215,79 16.506,80 1.585,81 0.628,82 0.628,83 8528,84 3.888,85 634,86 41.503,87 3.379,88 7.757,89 3.28,90 3.584,91 161.613,92 386.096,93 1.315,94 328,95 -1.225,96 -1.225,97 27.603,98 13.317,99 39.513,100 -1.489,101 -1.489,102 1.735,103 12.839,104 12.839,105 12.839,106 12.839,107 12.839,108 7.965,109 1,110 3.761,111 3.382,112 38.945,113 347.666,114 87.719,115 3.392,116 3.656,117 4.834,118 3.189,119 1.105,120 0.105,121 4.518,122 13930,123 5.139,124 1.618,125 4.828,126 124,127 5.283,128 197.66,129 2.625,130 4.498,131 14.166,132 106.314,133 0.75,134 8,135 3.648,136 15.648,137 23,138 3.296,139 3.296,140 5.4}
{0 CHEMBL2002165,3 3.806,4 3.685,5 3.845,6 3.681,7 12.057,8 3.575,9 4.104,10 2.258,11 113.397,12 17.428,13 9.257,14 1.61,15 3.366,16 3.769,17 242.547,18 3.522,19 3.358,20 5.457,21 3.905,22 2.5,23 3.465,24 346.541,25 6,26 1.459,27 2,28 5.077,29 39.87,30 103.313,31 103.313,32 1.095,33 1.493,34 20.87,35 20.09,36 1.5,37 4.139,38 1.275,39 3.589,40 7.206,41 7.206,42 4.005,43 1,44 1,45 17.368,46 5.099,47 24.901,48 587.921,49 1.54,50 4.261,51 1.558,52 884.23,53 0.998,54 1.436,55 4.084,56 267.937,57 1.593,58 61.037,59 2.461,60 2.461,61 299.566,62 16.155,63 182.117,64 2.093,65 2.093,66 1.77,67 14.156,68 23.25,69 4.042,70 60.103,71 16.265,72 6.57,73 1.515,74 24.187,75 24.187,76 24.187,77 24.187,78 24.187,79 24.729,80 1.593,81 2.586,82 2.586,83 36034,84 4.319,85 2634,86 61.322,87 3.787,88 9.008,89 4.018,90 4.702,91 246.236,92 592.575,93 1.294,94 570,95 2.275,96 2.275,97 41.381,98 20.692,99 62.251,100 2.07,101 2.07,102 2.658,103 19.786,104 19.786,105 19.786,106 19.786,107 19.786,108 11.097,109 1.865,110 4.146,111 3.796,112 60.106,113 606.177,114 140.416,115 4.106,116 4.148,117 5.256,118 3.615,119 1.077,120 0.077,121 6.774,122 66752,123 7.75,124 2.552,125 5.273,126 194,127 5.733,128 323.566,129 3.421,130 5.134,131 20.603,132 199.473,133 0.8,134 7,135 5.78,136 24.717,137 36,138 3.714,139 3.714,140 5.8}
{0 CHEMBL2002322,3 3.431,4 3.179,5 3.47,6 3.113,7 7.755,8 3.23,9 2.953,10 0.5,11 81.735,12 9.95,13 6.452,14 1.299,15 2.98,16 3.34,17 123.954,18 3.189,19 2.996,20 5.602,21 3.621,22 0.657,23 2.997,24 229.983,25 2,26 1.045,27 0.166,28 4.102,29 25.405,30 67.464,31 67.464,32 0.51,33 0.988,34 14.285,35 13.389,36 -1,37 4.307,38 0.51,39 2.816,40 7.15,41 7.15,42 3.178,43 -0.804,44 -0.804,45 11.964,46 4.557,47 16.543,48 547.337,49 1.208,50 3.667,51 1.194,52 822.01,53 -0.7,54 1.018,55 4.017,56 219.607,57 1.151,58 45.458,59 2.297,60 2.297,61 139.464,62 9.814,63 100.702,64 1.494,65 1.494,66 1.699,67 8.913,68 16.5,69 3.998,70 44.319,71 13.087,72 4.672,73 0.965,74 16.115,75 16.115,76 16.115,77 16.115,78 16.115,79 16.819,80 1.261,81 -2,82 -2,83 15283,84 3.972,85 962,86 43.479,87 3.307,88 8.144,89 3.465,90 3.452,91 154.553,92 368.87,93 0.913,94 498,95 -2.059,96 -2.059,97 24.307,98 15.159,99 45.423,100 -2.395,101 -2.395,102 1.023,103 13.826,104 13.826,105 13.826,106 13.826,107 13.826,108 6.817,109 1.294,110 3.745,111 3.475,112 44.641,113 533.69,114 84.727,115 3.355,116 3.563,117 4.942,118 3.305,119 1.133,120 0.133,121 4.244,122 34963,123 5.278,124 0.756,125 4.977,126 144,127 5.451,128 147.464,129 3.262,130 4.675,131 13.801,132 123.786,133 0.667,134 4,135 6.604,136 14.629,137 26,138 3.367,139 3.367,140 5.4}
{0 CHEMBL2002323,1 2,3 3.164,4 2.983,5 3.243,6 2.987,7 5.518,8 3.039,9 2.411,10 -0.244,11 54.488,12 8.237,13 4.187,14 1.17,15 2.83,16 3.07,17 103.007,18 2.967,19 2.826,20 4.869,21 3.174,22 0.154,23 2.577,24 134.578,25 1,26 0.988,27 -0.261,28 4.225,29 19.576,30 46.722,31 46.722,32 -0.882,33 0.936,34 10.068,35 9.761,36 -1.655,37 3.092,38 -0.725,39 2,40 5.324,41 5.324,42 2.309,43 -1.19,44 -1.19,45 8.648,46 4.09,47 12.313,48 318.514,49 1.004,50 3.252,51 1.174,52 463,53 -1.111,54 0.937,55 2.263,56 128.652,57 1.129,58 30.709,59 1.828,60 1.828,61 122.517,62 7.584,63 75.059,64 1.093,65 1.093,66 1.59,67 6.879,68 11.75,69 2.961,70 30.448,71 8.111,72 2.862,73 0.925,74 12.016,75 12.016,76 12.016,77 12.016,78 12.016,79 12.271,80 1.168,81 -2.738,82 -2.738,83 4664,84 3.636,85 332,86 31.135,87 3.062,88 7.05,89 2.794,90 3.001,91 121.174,92 287.425,93 0.699,94 298,95 -3.166,96 -3.166,97 20.006,98 10.291,99 31.855,100 -3.9,101 -3.9,102 0.597,103 9.843,104 9.843,105 9.843,106 9.843,107 9.843,108 5.431,109 -0.267,110 3.436,111 3.031,112 30.473,113 317.674,114 69.309,115 2.843,116 3.105,117 4.595,118 2.962,119 1.133,120 0.133,121 3.258,122 8140,123 3.861,124 0.218,125 4.595,126 98,127 5.056,128 134.127,129 2.767,130 4.147,131 10.066,132 74.697,133 0.667,134 4,135 2.86,136 11.828,137 18,138 3.045,139 3.045,140 5.4}
{0 CHEMBL2002373,1 1,3 3.481,4 3.296,5 3.541,6 3.294,7 7.017,8 3.017,9 3.344,10 0.5,11 64.625,12 10.398,13 4.814,14 1.401,15 2.76,16 3.274,17 125.041,18 2.95,19 2.759,20 3.919,21 3.294,22 0.5,23 2.5,24 161.833,25 5,26 1.235,28 4.237,29 24.467,30 55.693,31 55.693,32 -0.747,33 1.107,34 12.821,35 11.684,36 -1.137,37 3.557,38 -0.3,39 2.16,40 3.278,41 3.278,42 3.158,43 -0.938,44 -0.938,45 10.398,46 4.355,47 14.889,48 287.262,49 1.063,50 3.815,51 1.339,52 429.14,53 -0.868,54 1.169,55 2.926,56 131.686,57 1.204,58 33.668,59 1.503,60 1.503,61 161.015,62 8.517,63 84.239,64 1.056,65 1.056,66 1.641,67 9.315,68 13.5,69 3.261,70 33.558,71 8.517,72 3.396,73 1.062,74 14.82,75 14.82,76 14.82,77 14.82,78 14.82,79 15.088,80 1.385,81 -1.721,82 -1.721,83 6416,84 3.789,85 630,86 33.912,87 3.299,88 7.517,89 3.504,90 3.349,91 152.62,92 364.153,93 0.886,94 278,95 -1.884,96 -1.884,97 25.801,98 11.804,99 34.518,100 -2.347,101 -2.347,102 0.869,103 11.374,104 11.374,105 11.374,106 11.374,107 11.374,108 6.936,109 0.793,110 3.61,111 3.336,112 33.526,113 294.444,114 82.688,115 3.673,116 3.813,117 4.656,118 3.104,119 1,121 4.396,122 10407,123 4.861,124 0.674,125 4.673,126 106,127 5.118,128 174.666,129 2.456,130 4.358,131 11.955,132 93.037,133 1,134 7,135 3.169,136 14.493,137 21,138 3.178,139 3.178,140 6.3}
{0 CHEMBL2002407,3 3.233,4 2.973,5 3.3,6 2.962,7 5.834,8 3.147,9 2.88,10 0.074,11 64.197,12 10.1,13 4.072,14 1.381,15 2.776,16 3.142,17 131.735,18 3.067,19 2.835,20 4.343,21 3.265,22 0.477,23 2.884,24 154.067,25 3,26 1.107,27 0.042,28 4.578,29 22.117,30 55.034,31 55.034,32 -0.174,33 1.074,34 12.4,35 11.084,36 -1.208,37 3.346,38 0.125,39 2,40 3.839,41 3.839,42 2.906,43 -0.912,44 -0.912,45 10.1,46 4.294,47 13.692,48 351.689,49 1.143,50 3.443,51 1.25,52 514.04,53 -0.863,54 1.022,55 3.122,56 133.533,57 1.123,58 34.812,59 1.531,60 1.531,61 146.49,62 8.519,63 92.239,64 1.227,65 1.227,66 1.635,67 8.156,68 13,69 3.266,70 31.926,71 8.519,72 2.811,73 1.109,74 14.179,75 14.179,76 14.179,77 14.179,78 14.179,79 14.497,80 1.348,81 -1.78,82 -1.78,83 7771,84 3.757,85 554,86 37.738,87 3.11,88 7.497,89 3.121,90 3.189,91 142.966,92 340.598,93 0.863,94 335,95 -2.391,96 -2.391,97 22.222,98 11.045,99 34.718,100 -3.205,101 -3.205,102 0.87,103 10.609,104 10.609,105 10.609,106 10.609,107 10.609,108 5.722,109 0.941,110 3.456,111 3.063,112 31.932,113 361.183,114 78.965,115 3.131,116 3.29,117 4.751,118 3.103,119 1,121 3.54,122 14530,123 4.944,124 0.593,125 4.654,126 104,127 5.106,128 153.245,129 2.463,130 4.367,131 10.48,132 94.208,133 1,134 6,135 3.167,136 15.405,137 21,138 3.135,139 3.135,140 5.4}
{0 CHEMBL2002446,3 3.817,4 3.652,5 3.852,6 3.645,7 12.865,8 3.671,9 4.131,10 2,11 105.112,12 16.68,13 10.545,14 1.653,15 3.502,16 3.791,17 228.165,18 3.625,19 3.505,20 5.492,21 3.855,22 2.163,23 3.403,24 308.963,25 6,26 1.414,27 1.765,28 4.981,29 39.836,30 92.98,31 92.98,32 1.146,33 1.527,34 20.867,35 20.01,36 1,37 3.969,38 1.204,39 3.414,40 7.311,41 7.311,42 3.968,43 0.83,44 0.83,45 16.225,46 5.007,47 24.632,48 445.361,49 1.53,50 4.261,51 1.591,52 698.2,53 0.766,54 1.37,55 3.949,56 250.661,57 1.582,58 58.626,59 2.475,60 2.475,61 313.814,62 15.367,63 155.71,64 1.992,65 1.992,66 1.747,67 13.559,68 21.5,69 3.932,70 57.068,71 14.79,72 7.542,73 1.499,74 22.98,75 22.98,76 22.98,77 22.98,78 22.98,79 23.589,80 1.621,81 2.275,82 2.275,83 25295,84 4.247,85 2206,86 57.952,87 3.847,88 8.741,89 3.981,90 4.79,91 241.361,92 580.681,93 1.381,94 444,95 1.915,96 1.915,97 43.023,98 19.777,99 58.096,100 1.636,101 1.636,102 2.455,103 18.829,104 18.829,105 18.829,106 18.829,107 18.829,108 11.925,109 1.891,110 4.165,111 3.738,112 57.023,113 474.175,114 138.702,115 4.125,116 4.19,117 5.165,118 3.532,119 1.154,120 0.154,121 6.55,122 39486,123 7.056,124 2.32,125 5.22,126 184,127 5.68,128 325.814,129 3.417,130 5.001,131 21.415,132 179.194,133 0.667,134 5,135 5.277,136 22.554,137 33,138 3.664,139 3.664,140 5.4}
{0 CHEMBL2002479,1 1,3 3.643,4 3.448,5 3.714,6 3.452,7 10.699,8 3.454,9 3.929,10 1.754,11 100.712,12 15.89,13 7.94,14 1.657,15 3.214,16 3.67,17 209.766,18 3.41,19 3.242,20 5.304,21 3.775,22 1.947,23 3.241,24 298.328,25 7,26 1.363,27 1.587,28 4.888,29 35.799,30 88.547,31 88.547,32 1.095,33 1.396,34 19.35,35 17.908,36 0.712,37 3.972,38 1.291,39 3.414,40 6.841,41 6.841,42 3.823,43 0.671,44 0.671,45 15.602,46 4.943,47 22.433,48 521.409,49 1.568,50 4.065,51 1.567,52 789,53 0.61,54 1.308,55 3.838,56 232.943,57 1.537,58 54.262,59 2.341,60 2.341,61 259.05,62 14.58,63 156,64 1.849,65 1.849,66 1.743,67 13.054,68 21.25,69 3.868,70 53.974,71 14.172,72 5.544,73 1.4,74 21.988,75 21.988,76 21.988,77 21.988,78 21.988,79 22.428,80 1.628,81 2.275,82 2.275,83 25317,84 4.213,85 1828,86 55.757,87 3.671,88 8.679,89 3.924,90 4.421,91 219.317,92 526.894,93 1.268,94 505,95 1.198,96 1.198,97 37.097,98 18.545,99 55.583,100 1.185,101 1.185,102 2.5,103 17.796,104 17.796,105 17.796,106 17.796,107 17.796,108 10.21,109 1.521,110 4.051,111 3.616,112 54.119,113 533.693,114 121.934,115 4.018,116 4.051,117 5.133,118 3.502,119 1.167,120 0.167,121 6.251,122 46373,123 6.972,124 2.107,125 5.165,126 174,127 5.624,128 283.58,129 3.27,130 4.968,131 18.681,132 169.8,133 0.6,134 9,135 5.112,136 22.579,137 32,138 3.611,139 3.611,140 5.6}
{0 CHEMBL2002586,1 1,2 1,3 3.683,4 3.495,5 3.73,6 3.484,7 10.429,8 3.372,9 3.655,10 1.021,11 90.479,12 14.002,13 8.163,14 1.376,15 3.155,16 3.537,17 181.35,18 3.319,19 3.16,20 5.172,21 3.726,22 1.367,23 3.129,24 239.012,25 5,26 1.175,27 1.002,28 4.704,29 31.051,30 82.307,31 82.307,32 0.454,33 1.402,34 16.875,35 16.315,36 0.111,37 3.95,38 0.894,39 3.064,40 6.322,41 6.322,42 3.513,43 0.091,44 0.091,45 13.259,46 4.716,47 19.616,48 421.575,49 1.376,50 4.042,51 1.513,52 665.59,53 0.08,54 1.106,55 3.701,56 226.172,57 1.398,58 46.714,59 2.179,60 2.179,61 221.066,62 13.013,63 122.382,64 1.859,65 1.859,66 1.699,67 11.079,68 19,69 3.672,70 46.417,71 12.085,72 5.702,73 1.374,74 18.756,75 18.756,76 18.756,77 18.756,78 18.756,79 19.56,80 1.429,81 0.631,82 0.631,83 14873,84 4.046,85 1060,86 47.204,87 3.574,88 8.196,89 3.608,90 4.082,91 192.998,92 462.674,93 1.153,94 424,95 0.238,96 0.238,97 33.08,98 16.736,99 47.073,100 -0.639,101 -0.639,102 2,103 15.37,104 15.37,105 15.37,106 15.37,107 15.37,108 9.146,109 1.256,110 3.876,111 3.594,112 46.525,113 447.926,114 112.093,115 3.74,116 3.936,117 4.942,118 3.34,119 1.083,120 0.083,121 5.327,122 26144,123 5.778,124 1.4,125 5.017,126 150,127 5.476,128 229.066,129 3.078,130 4.727,131 16.811,132 134.275,133 0.8,134 7,135 4.336,136 19.071,137 27,138 3.466,139 3.466,140 5.4}
{0 CHEMBL2002599,3 3.522,4 3.384,5 3.568,6 3.376,7 9.316,8 3.412,9 3.769,10 1.176,11 86.932,12 13.759,13 7.192,14 1.624,15 3.081,16 3.53,17 178.104,18 3.361,19 3.133,20 5.235,21 3.634,22 1.364,23 2.951,24 251.655,25 3,26 1.383,27 1.006,28 4.668,29 31.246,30 77.691,31 77.691,32 1,33 1.377,34 17.323,35 15.207,36 0.086,37 3.826,38 1.037,39 3.247,40 6.445,41 6.445,42 3.707,43 0.071,44 0.071,45 13.759,46 4.769,47 19.919,48 437.639,49 1.517,50 3.906,51 1.59,52 647.35,53 0.066,54 1.334,55 3.714,56 200.057,57 1.512,58 48.12,59 2.207,60 2.207,61 224.078,62 12.451,63 128.606,64 1.542,65 1.542,66 1.711,67 11.578,68 20,69 3.767,70 47.801,71 12.451,72 5.384,73 1.366,74 19.463,75 19.463,76 19.463,77 19.463,78 19.463,79 19.966,80 1.603,81 2.127,82 2.127,83 16242,84 4.09,85 1300,86 49.401,87 3.521,88 8.309,89 3.771,90 4.133,91 188.062,92 450.631,93 1.217,94 416,95 0.189,96 0.189,97 32.273,98 16.666,99 48.333,102 2.352,103 15.874,104 15.874,105 15.874,106 15.874,107 15.874,108 9.151,109 1.491,110 3.928,111 3.456,112 47.712,113 442.313,114 103.475,115 3.83,116 3.856,117 4.992,118 3.375,119 1.167,120 0.167,121 5.568,122 28625,123 6.028,124 1.985,125 5.043,126 154,127 5.501,128 242.078,129 3.163,130 4.777,131 16.92,132 140.714,133 0.6,134 2,135 4.498,136 18.924,137 28,138 3.497,139 3.497,140 5.4}
{0 CHEMBL2002649,3 3.183,4 2.944,5 3.252,6 2.939,7 5.48,8 3.035,9 2.447,10 -0.118,11 55.706,12 8.775,13 3.918,14 1.407,15 2.741,16 3.066,17 113.862,18 2.964,19 2.749,20 4.729,21 3.176,22 -0.013,23 2.3,24 132.521,25 2,26 1.147,27 -0.528,28 4.53,29 19.601,30 47.967,31 47.967,32 -0.889,33 0.966,34 10.805,35 9.728,36 -1.756,37 3.201,38 -0.502,39 1.919,40 4.823,41 4.823,42 2.334,43 -1.478,44 -1.478,45 8.775,46 4.109,47 12.352,48 300.59,49 1.066,50 3.251,51 1.282,52 444.52,53 -1.355,54 1.092,55 2.281,56 124.008,57 1.157,58 30.343,59 1.652,60 1.652,61 131.372,62 7.774,63 75.059,64 0.795,65 0.795,66 1.591,67 7.282,68 12.25,69 2.725,70 29.803,71 7.774,72 2.821,73 0.938,74 12.386,75 12.386,76 12.386,77 12.386,78 12.386,79 12.729,80 1.377,81 -2.811,82 -2.811,83 4720,84 3.637,85 358,86 31.16,87 3.045,88 7.048,89 2.783,90 3.069,91 121.174,92 287.425,93 0.864,94 286,95 -3.543,96 -3.543,97 19.972,98 10.255,99 30.505,100 -4.158,101 -4.158,102 0.553,103 9.826,104 9.826,105 9.826,106 9.826,107 9.826,108 5.372,109 0.59,110 3.421,111 3.007,112 29.684,113 305.675,114 66.997,115 2.868,116 3.091,117 4.572,118 2.962,119 1.143,120 0.143,121 3.407,122 8256,123 4,124 0.409,125 4.575,126 96,127 5.03,128 136.127,129 2.643,130 4.141,131 9.949,132 75.018,133 0.667,134 4,135 2.808,136 12.535,137 18,138 3.045,139 3.045,140 5.8}
{0 CHEMBL2002690,3 3.505,4 3.322,5 3.55,6 3.336,7 8.832,8 3.254,9 3.513,10 0.912,11 82.683,12 13.112,13 6.664,14 1.302,15 3.049,16 3.469,17 127.621,18 3.219,19 3.06,20 4.983,21 3.592,22 1.17,23 2.978,24 219.098,25 3,26 1.092,27 0.707,28 3.765,29 28.842,30 67.863,31 67.863,32 0.614,33 1.107,34 15.085,35 14.456,36 -0.31,37 3.694,38 0.77,39 2.933,40 5.608,41 5.608,42 3.409,43 -0.234,44 -0.234,45 12.704,46 4.65,47 18.049,48 413.733,49 1.101,50 3.751,51 1.19,52 640.99,53 -0.215,54 1.066,55 3.506,56 193.863,57 1.393,58 43.584,59 2,60 2,61 154.375,62 12.021,63 118.211,64 1.521,65 1.521,66 1.69,67 10.734,68 16.5,69 3.688,70 43.11,71 11.353,72 4.814,73 1.085,74 17.861,75 17.861,76 17.861,77 17.861,78 17.861,79 18.23,80 1.292,81 0.171,82 0.171,83 13710,84 4.004,85 962,86 44.243,87 3.502,88 8.094,89 3.513,90 3.886,91 180.349,92 431.811,93 0.97,94 413,95 -0.558,96 -0.558,97 30.142,98 15.033,99 44.22,100 -1.116,101 -1.116,102 2.066,103 14.37,104 14.37,105 14.37,106 14.37,107 14.37,108 8.009,109 1,110 3.818,111 3.527,112 43.107,113 437.178,114 101.903,115 3.595,116 3.689,117 4.945,118 3.304,119 1.095,120 0.095,121 5.138,122 24453,123 5.694,124 1.333,125 4.934,126 138,127 5.389,128 192.64,129 2.943,130 4.677,131 14.794,132 127.683,133 0.75,134 4,135 4.123,136 18.286,137 26,138 3.401,139 3.401,140 5.4}
{0 CHEMBL2002702,3 3.202,4 3.001,5 3.297,6 3.023,7 5.936,8 3.106,9 2.894,10 -0.281,11 53.281,12 8.648,13 4.607,14 1.272,15 2.83,16 3.149,17 113.371,18 3.025,19 2.835,20 4.732,21 3.144,22 0.151,23 2.695,24 133.888,25 1,26 1.013,27 -0.174,28 4.09,29 20.918,30 46.094,31 46.094,32 -0.837,33 1.021,34 10.329,35 10.372,36 -1.531,37 3.185,38 -0.612,39 2,40 4.897,41 4.897,42 2.666,43 -1.173,44 -1.173,45 8.648,46 4.09,47 12.722,48 267.143,49 1.096,50 3.372,51 1.254,52 402.54,53 -1.177,54 0.944,55 2.177,56 123.157,57 1.301,58 31.169,59 1.693,60 1.693,61 130.881,62 8.135,63 75.059,64 1.316,65 1.316,66 1.59,67 6.967,68 11.25,69 2.823,70 30.513,71 8.135,72 3.188,73 0.979,74 12.016,75 12.016,76 12.016,77 12.016,78 12.016,79 12.109,80 1.29,81 -2.439,82 -2.439,83 4183,84 3.634,85 346,86 31.727,87 3.178,88 7.049,89 3.043,90 3.023,91 129.568,92 307.907,93 0.83,94 259,95 -3.244,96 -3.244,97 22.034,98 10.02,99 31.924,100 -4.659,101 -4.659,102 0.531,103 9.877,104 9.877,105 9.877,106 9.877,107 9.877,108 5.889,109 -0.134,110 3.52,111 2.988,112 30.497,113 275.479,114 72.469,115 3.169,116 3.301,117 4.593,118 2.962,119 1.143,120 0.143,121 3.321,122 6478,123 3.861,124 0.469,125 4.595,126 98,127 5.056,128 148.49,129 2.673,130 4.146,131 10.534,132 74.896,133 0.667,134 2,135 2.838,136 12.698,137 18,138 3.045,139 3.045,140 5.4}
{0 CHEMBL2002723,1 2,3 3.342,4 3.13,5 3.421,6 3.094,7 5.993,8 3.035,9 2.76,10 0.302,11 60.759,12 9.614,13 4.296,14 1.32,15 2.735,16 3.131,17 115.471,18 2.934,19 2.725,20 4.477,21 3.275,22 0.5,23 2.715,24 148.731,25 2,26 1.009,27 0.054,28 4.054,29 21.424,30 53.365,31 53.365,32 -0.536,33 1.065,34 11.296,35 10.739,36 -1.447,37 3.049,38 -0.274,39 2,40 4.648,41 4.648,42 2.718,43 -1,44 -1,45 9.614,46 4.248,47 13.547,48 358.067,49 1.063,50 3.279,51 1.213,52 519.2,53 -1,54 0.938,55 2.828,56 136.957,57 1.071,58 33.53,59 1.889,60 1.889,61 129.735,62 9.08,63 82.439,64 1.243,65 1.243,66 1.612,67 7.836,68 13.25,69 2.923,70 32.982,71 9.08,72 2.687,73 1.062,74 13.326,75 13.326,76 13.326,77 13.326,78 13.326,79 13.526,80 1.303,81 -2,82 -2,83 6974,84 3.737,85 468,86 33.766,87 3.108,88 7.303,89 2.885,90 3.296,91 134.634,92 320.266,93 0.886,94 337,95 -2.646,96 -2.646,97 21.773,98 11.247,99 33.949,100 -3,101 -3,102 0.672,103 10.892,104 10.892,105 10.892,106 10.892,107 10.892,108 5.889,109 0.496,110 3.454,111 3.268,112 32.996,113 358.362,114 73.504,115 2.95,116 3.139,117 4.682,118 3.057,119 1.133,120 0.133,121 3.782,122 12418,123 4.306,124 0.581,125 4.673,126 106,127 5.13,128 141.245,129 2.901,130 4.289,131 10.747,132 89.189,133 0.667,134 8,135 3.072,136 14.113,137 20,138 3.135,139 3.135,140 5.5}
{0 CHEMBL2002726,3 3.574,4 3.407,5 3.639,6 3.407,7 9.013,8 3.464,9 3.656,10 1.01,11 81.725,12 13.187,13 6.751,14 1.736,15 3.254,16 3.538,17 175.783,18 3.401,19 3.255,20 4.952,21 3.548,22 1.053,23 2.968,24 224.352,25 6,26 1.49,27 0.786,28 4.634,29 31.542,30 70.906,31 70.906,32 0.714,33 1.243,34 15.922,35 15.222,36 -0.217,37 3.667,38 0.986,39 3.098,40 5.447,41 5.447,42 3.548,43 -0.187,44 -0.187,45 13.187,46 4.706,47 19.228,48 381.652,49 1.289,50 3.912,51 1.697,52 565.42,53 -0.182,54 1.415,55 3.467,56 175.176,57 1.484,58 45.076,59 2.084,60 2.084,61 227.082,62 11.767,63 124.382,64 1.521,65 1.521,66 1.696,67 11.088,68 16.75,69 3.557,70 44.634,71 11.767,72 4.596,73 1.222,74 18.516,75 18.516,76 18.516,77 18.516,78 18.516,79 18.793,80 1.733,81 1.347,82 1.347,83 14739,84 4.04,85 1140,86 44.903,87 3.566,88 8.18,89 3.64,90 4.061,91 194.128,92 465.432,93 1.05,94 368,95 -0.455,96 -0.455,97 33.33,98 15.279,99 45.31,100 -0.856,101 -0.856,102 2.111,103 14.842,104 14.842,105 14.842,106 14.842,107 14.842,108 8.921,109 1.111,110 3.897,111 3.448,112 44.601,113 391.422,114 107.094,115 3.746,116 3.85,117 4.945,118 3.339,119 1.095,120 0.095,121 5.322,122 24084,123 5.917,124 1.715,125 4.963,126 142,127 5.416,128 253.611,129 3.058,130 4.728,131 15.774,132 136.221,133 0.75,134 5,135 4.168,136 18.64,137 27,138 3.434,139 3.434,140 5.4}
{0 CHEMBL2002992,3 3.401,4 3.244,5 3.473,6 3.242,7 7.634,8 3.281,9 3.386,11 63.07,12 10.148,13 6.059,14 1.439,15 2.976,16 3.316,17 154.026,18 3.216,19 2.991,20 4.27,21 3.311,22 0.5,23 2.5,24 158.862,25 3,26 1.162,28 4.571,29 25.542,30 63.222,31 63.222,32 -0.602,33 1.208,34 12.85,35 12.303,36 -1,37 3.319,38 -0.152,39 2,40 3.882,41 3.882,42 3.227,43 -1,44 -1,45 10.148,46 4.322,47 15.218,48 268.96,49 1.376,50 3.712,51 1.513,52 397.39,53 -0.947,54 1.098,55 2.961,56 137.654,57 1.395,58 34.918,59 1.548,60 1.548,61 196.574,62 9.178,63 86.239,64 1.053,65 1.053,66 1.629,67 8.271,68 13.5,69 3.251,70 34.578,71 9.178,72 4.604,73 1.185,74 14.137,75 14.137,76 14.137,77 14.137,78 14.137,79 14.318,80 1.429,81 -2,82 -2,83 6588,84 3.781,85 537,86 35.472,87 3.355,88 7.463,89 3.371,90 3.365,91 158.604,92 378.754,93 1.153,94 258,95 -2.262,96 -2.262,97 27.33,98 11.6,99 35.641,100 -2.439,101 -2.439,102 0.634,103 11.327,104 11.327,105 11.327,106 11.327,107 11.327,108 7.558,109 0.859,110 3.716,111 3.281,112 34.564,113 272.754,114 81.7,115 3.494,116 3.545,117 4.64,118 3.103,119 1.133,120 0.133,121 3.872,122 9851,123 4.611,124 0.508,125 4.71,126 110,127 5.165,128 206.574,129 2.515,130 4.366,131 12.989,132 95.155,133 0.667,134 4,135 3.349,136 14.82,137 21,138 3.178,139 3.178,140 5.4}
{0 CHEMBL2003271,3 3.325,4 3.132,5 3.359,6 3.113,7 8.605,8 3.097,9 3.47,10 0.5,11 83.74,12 12.654,13 7.14,14 1.118,15 2.92,16 3.351,17 117.181,18 3.077,19 2.91,20 5.119,21 3.642,22 0.624,23 2.873,24 200.639,25 3,26 0.942,27 0.085,28 4.104,29 25.776,30 65.181,31 65.181,32 0.387,33 0.984,34 13.37,35 14.984,36 -1.075,37 4.148,38 0.527,39 2.424,40 6.096,41 6.096,42 3.333,43 -0.811,44 -0.811,45 11.38,46 4.478,47 16.095,48 410.702,49 1.062,50 3.661,51 1.181,52 683.5,53 -0.588,54 0.922,55 3.658,56 224.924,57 1.157,58 40.2,59 2.14,60 2.14,61 135.445,62 12.52,63 106.039,64 1.465,65 1.465,66 1.675,67 8.886,68 15,69 3.952,70 39.576,71 10.792,72 5.54,73 0.918,74 15.637,75 15.637,76 15.637,77 15.637,78 15.637,79 16.14,80 1.124,81 -0.758,82 -0.758,83 11838,84 3.901,85 834,86 42.459,87 3.394,88 7.897,89 3.531,90 3.424,91 173.432,92 414.934,93 0.904,94 435,95 -2,96 -2,97 26.949,98 13.806,99 42.058,100 -2.226,101 -2.226,102 1.161,103 12.757,104 12.757,105 12.757,106 12.757,107 12.757,108 6.761,109 1,110 3.741,111 3.508,112 39.717,113 462.711,114 97.47,115 3.628,116 3.633,117 4.86,118 3.229,119 1.133,120 0.133,121 4.178,122 25064,123 5.194,124 1.11,125 4.86,126 128,127 5.323,128 153.71,129 3.05,130 4.557,131 13.229,132 111.842,133 0.667,134 4,135 3.903,136 19.284,137 24,138 3.296,139 3.296,140 5.4}
{0 CHEMBL2003286,3 3.104,4 2.906,5 3.135,6 2.897,7 5.534,8 2.842,9 2.261,10 -0.5,11 55.917,12 8.505,13 4.298,14 1.069,15 2.629,16 2.98,17 100.702,18 2.847,19 2.625,20 4.208,21 3.224,22 -0.414,23 1.74,24 113.236,25 2,26 0.83,27 -0.714,28 4.335,29 18.175,30 47.628,31 47.628,32 -0.644,33 0.693,34 9.949,35 9.706,36 -2,37 3.158,38 -0.499,39 1.307,40 3.838,41 3.838,42 2.249,43 -1.635,44 -1.635,45 8.097,46 3.989,47 11.253,48 294.845,49 0.982,50 3.161,51 1.081,52 455.01,53 -1.452,54 0.807,55 2.626,56 130.456,57 1.111,58 26.789,59 1.531,60 1.531,61 112.702,62 8.103,63 69.487,64 0.543,65 0.543,66 1.569,67 6.469,68 10.75,69 3.067,70 26.587,71 7.374,72 2.954,73 0.732,74 11.179,75 11.179,76 11.179,77 11.179,78 11.179,79 11.594,80 1.045,81 -3.582,82 -3.582,83 4792,84 3.554,85 296,86 30.238,87 2.99,88 6.864,89 2.614,90 2.892,91 117.845,92 279.302,93 0.756,94 291,95 -4.603,96 -4.603,97 18.517,98 9.368,99 28.243,100 -4.895,101 -4.895,102 0.365,103 8.799,104 8.799,105 8.799,106 8.799,107 8.799,108 4.688,109 0.545,110 3.304,111 3.015,112 26.49,113 313.171,114 64.378,115 2.604,116 2.955,117 4.449,118 2.908,119 1,121 2.993,122 9303,123 3.806,124 -0.037,125 4.466,126 86,127 4.92,128 117.457,129 2.463,130 4.062,131 8.804,132 70.246,133 1,134 4,135 2.662,136 12.767,137 17,138 2.944,139 2.944,140 5.4}
{0 CHEMBL2003341,3 3.501,4 3.33,5 3.548,6 3.321,7 8.704,8 3.208,9 3.481,10 0.909,11 83.921,12 13.14,13 6.598,14 1.358,15 2.973,16 3.457,17 144.384,18 3.183,19 2.998,20 4.618,21 3.573,22 1,23 2.921,24 208.764,25 5,26 1.075,27 0.473,28 4.142,29 29.342,30 70.039,31 70.039,32 0.281,33 1.107,34 15.244,35 15.206,36 -0.457,37 3.854,38 1,39 2.612,40 4.963,41 4.963,42 3.39,43 -0.356,44 -0.356,45 12.563,46 4.628,47 17.865,48 372.962,49 1.062,50 3.88,51 1.235,52 581.4,53 -0.283,54 1.05,55 3.555,56 178.392,57 1.392,58 41.605,59 1.893,60 1.893,61 173.948,62 11.948,63 108.211,64 1.486,65 1.486,66 1.688,67 10.411,68 16,69 3.743,70 41.231,71 11.132,72 4.372,73 1.062,74 17.524,75 17.524,76 17.524,77 17.524,78 17.524,79 17.921,80 1.318,81 -0.841,82 -0.841,83 14952,84 3.984,85 1016,86 42.764,87 3.485,88 8.082,89 3.523,90 3.806,91 189.41,92 453.92,93 0.886,94 378,95 -0.891,96 -0.891,97 30.727,98 14.47,99 42.594,100 -1.158,101 -1.158,102 1.361,103 13.764,104 13.764,105 13.764,106 13.764,107 13.764,108 7.937,109 1.03,110 3.813,111 3.582,112 41.533,113 401.996,114 102.699,115 3.597,116 3.776,117 4.871,118 3.304,119 1,121 4.873,122 28370,123 5.833,124 1.044,125 4.89,126 132,127 5.342,128 196.477,129 2.873,130 4.673,131 14.395,132 128.549,133 1,134 4,135 4.064,136 19.518,137 26,138 3.367,139 3.367,140 5.4}
{0 CHEMBL2003420,3 3.626,4 3.399,5 3.695,6 3.378,7 9.55,8 3.556,9 3.684,10 0.798,11 86.394,12 13.737,13 6.356,14 1.682,15 3.217,16 3.516,17 185.212,18 3.493,19 3.256,20 3.861,21 3.557,22 1.29,23 2.84,24 191.093,25 11,26 1.38,27 1.097,28 4.164,29 33.353,30 86.658,31 86.658,32 1,33 1.394,34 17.397,35 15.987,36 0.12,37 3.593,38 1,39 2.697,40 3.694,41 3.694,42 3.536,43 0.108,44 0.108,45 13.737,46 4.771,47 19.728,48 342.259,49 1.549,50 3.765,51 1.584,52 488,53 0.106,54 1.315,55 3.328,56 146.648,57 1.476,58 40.24,59 1.824,60 1.824,61 233.212,62 11.072,63 106.606,64 1.491,65 1.491,66 1.697,67 12.449,68 18,69 3.458,70 40.083,71 11.072,72 4.026,73 1.371,74 19.209,75 19.209,76 19.209,77 19.209,78 19.209,79 19.545,80 1.655,81 0.998,82 0.998,83 21364,84 4.047,85 1468,86 41.795,87 3.541,88 8.242,89 3.578,90 4.431,91 213.17,92 511.894,93 1.286,94 324,95 0.225,96 0.225,97 35.319,98 14.84,99 40.387,100 -0.94,101 -0.94,102 1.786,103 14.382,104 14.382,105 14.382,106 14.382,107 14.382,108 9.407,109 1.063,110 3.805,111 3.536,112 40.022,113 346.382,114 107.526,115 3.697,116 3.718,117 4.779,118 3.372,119 1,121 6.062,122 35757,123 6.583,124 1.726,125 4.844,126 126,127 5.273,128 253.212,129 2.818,130 4.782,131 15.033,132 150.584,133 1,134 4,135 4.088,136 19.866,137 28,138 3.401,139 3.401,140 5.4}
{0 CHEMBL2003456,3 2.854,4 2.715,5 2.925,6 2.735,7 4.963,8 2.909,9 2.009,10 -0.5,11 48.807,12 7.826,13 3.565,14 1.062,15 2.651,16 2.971,17 74.935,18 2.832,19 2.668,20 4.339,21 3.05,22 -0.5,23 2.5,24 111.683,25 1,26 0.886,27 -0.77,28 3.673,29 17.359,30 39.793,31 39.793,32 -1,33 0.788,34 9.449,35 8.397,36 -2.005,37 2.683,38 -0.91,39 1.555,40 4.141,41 4.141,42 1.949,43 -1.732,44 -1.732,45 7.826,46 3.954,47 11.043,48 261.608,49 0.919,50 2.985,51 1.145,52 388.23,53 -1.631,54 0.821,55 1.929,56 108.712,57 0.93,58 27.243,59 1.516,60 1.516,61 91.832,62 7.068,63 60,64 1,65 1,66 1.549,67 6.594,68 10.75,69 2.437,70 27.125,71 7.068,72 2.475,73 0.76,74 11.016,75 11.016,76 11.016,77 11.016,78 11.016,79 11.163,80 1.107,81 -2.932,82 -2.932,83 3529,84 3.533,85 230,86 28.042,87 2.962,88 6.683,89 2.429,90 2.933,91 107.586,92 254.269,93 0.672,94 251,95 -4.789,96 -4.789,97 17.756,98 9.159,99 27.43,100 -5.173,101 -5.173,102 0.5,103 8.926,104 8.926,105 8.926,106 8.926,107 8.926,108 4.899,109 -0.471,110 3.321,111 2.755,112 27.053,113 266.207,114 59.726,115 2.483,116 2.748,117 4.466,118 2.854,119 1.133,120 0.133,121 3.177,122 6094,123 3.472,124 0.383,125 4.466,126 86,127 4.92,128 105.342,129 2.448,130 3.974,131 9.046,132 63.653,133 0.667,134 3,135 2.516,136 10.958,137 16,138 2.944,139 2.944,140 5.4}
{0 CHEMBL2003482,3 3.295,4 3.084,5 3.372,6 3.076,7 6.704,8 2.954,9 3.095,10 -0.081,11 60.391,12 9.509,13 5.165,14 1.462,15 2.735,16 3.177,17 120.465,18 2.885,19 2.715,20 4.607,21 3.278,22 0.033,23 2.5,24 135.986,25 3,26 1.16,27 -0.319,28 4.317,29 21.767,30 55.104,31 55.104,32 -0.717,33 0.989,34 11.325,35 11.127,36 -1.532,37 3.148,38 -0.058,39 2,40 4.751,41 4.751,42 2.963,43 -1.28,44 -1.28,45 9.22,46 4.189,47 13.455,48 282.204,49 1.062,50 3.211,51 1.347,52 426.26,53 -1.134,54 1.068,55 2.918,56 133.526,57 1.332,58 31.35,59 1.696,60 1.696,61 142.465,62 8.803,63 76.711,64 1,65 1,66 1.597,67 7.626,68 12,69 3.185,70 31.231,71 8.395,72 3.587,73 0.992,74 12.878,75 12.878,76 12.878,77 12.878,78 12.878,79 13.111,80 1.447,81 -3,82 -3,83 6044,84 3.687,85 410,86 32.342,87 3.204,88 7.163,89 3.029,90 3.273,91 138.031,92 328.555,93 0.886,94 278,95 -3.024,96 -3.024,97 22.898,98 10.8,99 31.946,100 -3.231,101 -3.231,102 0.678,103 10.381,104 10.381,105 10.381,106 10.381,107 10.381,108 6.295,109 0.695,110 3.553,111 3.253,112 31.382,113 294.575,114 74.065,115 3.107,116 3.172,117 4.572,118 3.009,119 1.143,120 0.143,121 3.649,122 10638,123 4.139,124 0.5,125 4.615,126 100,127 5.069,128 150.465,129 2.68,130 4.224,131 11.211,132 83.313,133 0.667,134 3,135 2.999,136 13.742,137 19,138 3.091,139 3.091,140 5.4}
{0 CHEMBL2003514,1 1,3 3.478,4 3.291,5 3.544,6 3.287,7 7.844,8 3.299,9 3.324,10 0.632,11 76.523,12 12.169,13 5.503,14 1.489,15 2.956,16 3.397,17 150.194,18 3.231,19 2.967,20 4.557,21 3.461,22 0.839,23 2.737,24 195.005,25 5,26 1.184,27 0.485,28 4.472,29 28.203,30 67.56,31 67.56,32 0.285,33 1.107,34 14.874,35 14.009,36 -0.71,37 3.492,38 0.935,39 2.602,40 4.785,41 4.785,42 3.277,43 -0.539,44 -0.539,45 12.169,46 4.583,47 17.276,48 378.196,49 1.307,50 3.764,51 1.563,52 555.74,53 -0.543,54 1.107,55 3.31,56 156.978,57 1.377,58 40.108,59 1.897,60 1.897,61 192.31,62 10.464,63 108.096,64 1.299,65 1.299,66 1.675,67 10.211,68 16.25,69 3.419,70 39.711,71 10.464,72 3.794,73 1.062,74 17.077,75 17.077,76 17.077,77 17.077,78 17.077,79 17.476,80 1.514,81 -0.784,82 -0.784,83 12618,84 3.949,85 923,86 40.926,87 3.404,88 7.955,89 3.418,90 3.79,91 176.74,92 423.007,93 1.001,94 361,95 -1.258,96 -1.258,97 29.262,98 13.765,99 40.766,100 -1.461,101 -1.461,102 1.583,103 13.254,104 13.254,105 13.254,106 13.254,107 13.254,108 7.721,109 1,110 3.717,111 3.369,112 39.615,113 386.332,114 91.833,115 3.492,116 3.655,117 4.832,118 3.266,119 1,121 4.76,122 21697,123 5.667,124 1.044,125 4.844,126 126,127 5.293,128 209.82,129 2.847,130 4.615,131 13.515,132 122.669,133 1,134 3,135 3.786,136 17.648,137 25,138 3.332,139 3.332,140 5.4}
{0 CHEMBL2003524,3 3.246,4 2.994,5 3.313,6 2.981,7 6.546,8 3.301,9 2.845,10 0.276,11 64.802,12 10.1,13 4.672,14 1.522,15 2.951,16 3.217,17 125.471,18 3.235,19 2.96,20 4.927,21 3.327,22 0.59,23 2.789,24 174.759,25 3,26 1.191,27 0.141,28 4.15,29 23.063,30 57.619,31 57.619,32 0.012,33 1.118,34 12.829,35 11.942,36 -1.144,37 3.556,38 0.13,39 2.368,40 5.142,41 5.142,42 2.704,43 -0.845,44 -0.845,45 10.1,46 4.289,47 14.358,48 371.434,49 1.353,50 3.729,51 1.394,52 556.66,53 -0.82,54 1.115,55 2.497,56 155.656,57 1.258,58 34.71,59 1.758,60 1.758,61 145.26,62 8.971,63 92.239,64 1.442,65 1.442,66 1.643,67 7.984,68 14,69 3.188,70 34.763,71 8.971,72 3.592,73 1.094,74 14.265,75 14.265,76 14.265,77 14.265,78 14.265,79 14.663,80 1.538,81 -1.331,82 -1.331,83 6457,84 3.779,85 479,86 37.329,87 3.195,88 7.534,89 3.167,90 3.083,91 141.557,92 337.159,93 1.11,94 350,95 -2.429,96 -2.429,97 23.398,98 11.56,99 38.261,100 -2.754,101 -2.754,102 1,103 11.13,104 11.13,105 11.13,106 11.13,107 11.13,108 6.403,109 0.813,110 3.588,111 3.081,112 34.583,113 374.644,114 74.385,115 3.235,116 3.542,117 4.716,118 3.106,119 1.308,120 0.308,121 3.487,122 11267,123 4.778,124 0.971,125 4.745,126 114,127 5.209,128 149.26,129 2.758,130 4.363,131 11.644,132 91.021,133 0.333,134 7,135 3.38,136 15.146,137 21,138 3.178,139 3.178,140 5.4}
{0 CHEMBL2003638,1 1,3 3.772,4 3.605,5 3.829,6 3.567,7 9.651,8 3.477,9 3.773,10 2.087,11 95.198,12 14.759,13 7.082,14 1.695,15 3.209,16 3.604,17 170.953,18 3.42,19 3.238,20 5.169,21 3.704,22 2.206,23 3.305,24 283.165,25 5,26 1.418,27 1.706,28 4.397,29 33.387,30 79.04,31 79.04,32 1,33 1.275,34 18.046,35 16.288,36 1.064,37 3.897,38 1.19,39 3.28,40 6.282,41 6.282,42 3.727,43 0.725,44 0.725,45 15.153,46 4.907,47 21.416,48 533.134,49 1.455,50 3.839,51 1.539,52 773.62,53 0.71,54 1.347,55 3.751,56 216.059,57 1.407,58 53.379,59 2.252,60 2.252,61 211.059,62 13.124,63 149.58,64 1.892,65 1.892,66 1.735,67 12.637,68 19.75,69 3.863,70 52.611,71 13.758,72 4.901,73 1.321,74 21.325,75 21.325,76 21.325,77 21.325,78 21.325,79 21.583,80 1.67,81 2.136,82 2.136,83 23425,84 4.183,85 1689,86 53.651,87 3.597,88 8.589,89 3.784,90 4.395,91 202.331,92 485.449,93 1.214,94 502,95 1.736,96 1.736,97 33.995,98 17.756,99 53.287,100 1.493,101 1.493,102 2.526,103 17.33,104 17.33,105 17.33,106 17.33,107 17.33,108 9.511,109 1.355,110 3.972,111 3.725,112 52.718,113 533.666,114 116.372,115 3.816,116 3.827,117 5.14,118 3.472,119 1.077,120 0.077,121 6.078,122 43156,123 6.694,124 2.5,125 5.13,126 168,127 5.587,128 250.078,129 3.207,130 4.922,131 17.672,132 162.865,133 0.8,134 14,135 4.989,136 20.338,137 31,138 3.584,139 3.584,140 6.7}
{0 CHEMBL2003657,1 5,3 3.811,4 3.704,5 3.814,6 3.77,7 11.896,8 3.463,9 3.993,10 1.698,11 105.028,12 15.618,13 10.614,14 1.662,15 3.272,16 3.638,17 197.288,18 3.4,19 3.26,20 5.729,21 3.952,22 2.066,23 3.325,24 312.867,25 4,26 1.385,27 1.521,28 4.637,29 33.982,30 92.214,31 92.214,32 0.985,33 1.336,34 17.396,35 18.284,36 0.837,37 4.27,38 1,39 3.414,40 7.633,41 7.633,42 3.911,43 0.571,44 0.571,45 14.769,46 4.857,47 21.577,48 566.185,49 1.445,50 4.253,51 1.496,52 915.7,53 0.539,54 1.364,55 4.292,56 306.506,57 1.465,58 55.482,59 2.398,60 2.398,61 227.205,62 15.891,63 145.58,64 1.937,65 1.937,66 1.744,67 11.46,68 20.75,69 4.242,70 54.913,71 14.564,72 7.981,73 1.303,74 20.496,75 20.496,76 20.496,77 20.496,78 20.496,79 21.268,80 1.652,81 2.253,82 2.253,83 20151,84 4.173,85 1512,86 55.767,87 3.679,88 8.646,89 4.033,90 3.979,91 211.393,92 507.558,93 1.361,94 579,95 1.535,96 1.535,97 35.5,98 18.519,99 57.53,100 0.695,101 0.695,102 2.5,103 17.237,104 17.237,105 17.237,106 17.237,107 17.237,108 9.585,109 1.404,110 4.045,111 3.843,112 54.935,113 615.569,114 119.214,115 4.158,116 4.282,117 5.2,118 3.473,119 1.174,120 0.174,121 5.39,122 38323,123 6.472,124 2.438,125 5.187,126 178,127 5.659,128 242.856,129 3.322,130 4.927,131 18.674,132 156.902,133 0.6,134 11,135 5.552,136 21.647,137 31,138 3.584,139 3.584,140 7.7}
{0 CHEMBL2003689,3 3.637,4 3.48,5 3.678,6 3.465,7 11.523,8 3.629,9 4.217,10 2.191,11 107.352,12 17.13,13 9.373,14 1.739,15 3.418,16 3.776,17 230.914,18 3.606,19 3.433,20 5.431,21 3.818,22 2.424,23 3.406,24 343.134,25 9,26 1.538,27 1.997,28 4.488,29 40.96,30 97.216,31 97.216,32 1.266,33 1.387,34 20.715,35 20.317,36 1.362,37 4.208,38 1.482,39 3.527,40 7.132,41 7.132,42 4.154,43 0.987,44 0.987,45 17.13,46 5.076,47 24.874,48 561.518,49 1.589,50 4.242,51 1.684,52 825.63,53 0.985,54 1.507,55 4.101,56 240.763,57 1.536,58 60.261,59 2.492,60 2.492,61 282.755,62 16.439,63 175.362,64 2.048,65 2.048,66 1.777,67 13.772,68 22.25,69 4.196,70 59,71 16.439,72 5.626,73 1.432,74 23.609,75 23.609,76 23.609,77 23.609,78 23.609,79 23.856,80 1.712,81 2.334,82 2.334,83 31907,84 4.304,85 2774,86 62.167,87 3.788,88 9.048,89 4.184,90 4.524,91 252.09,92 606.86,93 1.434,94 532,95 2.275,96 2.275,97 42.426,98 19.622,99 60.767,100 2.164,101 2.164,102 2.54,103 19.245,104 19.245,105 19.245,106 19.245,107 19.245,108 11.38,109 1.638,110 4.145,111 3.561,112 59.081,113 566.706,114 134.359,115 4.229,116 4.204,117 5.239,118 3.616,119 1.095,120 0.095,121 6.547,122 55974,123 7.75,124 2.5,125 5.252,126 190,127 5.714,128 317.775,129 3.447,130 5.134,131 20.242,132 196.888,133 0.75,134 11,135 5.78,136 25.872,137 36,138 3.689,139 3.689,140 5.4}
{0 CHEMBL2003785,1 1,3 3.189,4 2.982,5 3.274,6 2.959,7 5.452,8 2.956,9 2.699,10 -0.098,11 56.096,12 8.433,13 3.805,14 1.072,15 2.733,16 3.032,17 102.341,18 2.897,19 2.734,20 4.124,21 3.183,22 0.025,23 2.5,24 127.141,25 3,26 0.859,27 -0.34,28 4.45,29 19.071,30 46.757,31 46.757,32 -1,33 0.919,34 10.497,35 9.391,36 -1.737,37 2.956,38 -0.674,39 1.74,40 3.681,41 3.681,42 2.695,43 -1.28,44 -1.28,45 8.826,46 4.128,47 12.283,48 311.39,49 1.068,50 3.064,51 1.105,52 450.19,53 -1.2,54 0.804,55 2.855,56 121.513,57 1.126,58 29.747,59 1.548,60 1.548,61 124.606,62 7.127,63 75.059,64 1,65 1,66 1.583,67 7.476,68 12.75,69 3.033,70 29.54,71 7.761,72 2.566,73 0.908,74 12.43,75 12.43,76 12.43,77 12.43,78 12.43,79 12.805,80 1.077,81 -2.429,82 -2.429,83 5366,84 3.643,85 334,86 29.665,87 3,88 7.019,89 2.892,90 3.174,91 118.376,92 280.598,93 0.816,94 291,95 -3.37,96 -3.37,97 19.25,98 10.515,99 30.026,100 -3.898,101 -3.898,102 0.608,103 9.898,104 9.898,105 9.898,106 9.898,107 9.898,108 5.34,109 0.191,110 3.362,111 3.089,112 29.557,113 309.854,114 66.954,115 2.898,116 2.967,117 4.554,118 2.96,119 1.133,120 0.133,121 3.551,122 9962,123 3.972,124 0.5,125 4.554,126 94,127 5.004,128 132.606,129 2.451,130 4.149,131 9.807,132 76.598,133 0.667,134 1,135 2.798,136 11.502,137 18,138 3.045,139 3.045,140 4.3}
{0 CHEMBL2003817,3 3.38,4 3.135,5 3.429,6 3.078,7 6.733,8 3.218,9 3.08,10 0.5,11 73.642,12 10.22,13 4.758,14 1.307,15 2.918,16 3.248,17 119.464,18 3.164,19 2.95,20 4.735,21 3.454,22 0.75,23 2.855,24 191.047,25 2,26 1.021,27 0.268,28 4.359,29 24.079,30 64.787,31 64.787,32 0.51,33 1.017,34 13.638,35 12.003,36 -1,37 3.57,38 0.51,39 2.398,40 5.163,41 5.163,42 3.118,43 -0.727,44 -0.727,45 11.432,46 4.498,47 15.634,48 462.186,49 1.125,50 3.372,51 1.196,52 668.36,53 -0.7,54 0.975,55 3.286,56 166.047,57 1.169,58 39.516,59 1.872,60 1.872,61 148.219,62 9.114,63 105.284,64 1.417,65 1.417,66 1.667,67 9.303,68 16.5,69 3.464,70 38.875,71 11.072,72 3.123,73 0.996,74 15.764,75 15.764,76 15.764,77 15.764,78 15.764,79 16.308,80 1.249,81 -1.174,82 -1.174,83 12975,84 3.907,85 820,86 39.357,87 3.186,88 7.854,89 3.206,90 3.588,91 147.691,92 352.126,93 0.866,94 419,95 -1.993,96 -1.993,97 23.341,98 13.809,99 39.253,100 -2.269,101 -2.269,102 1.174,103 12.872,104 12.872,105 12.872,106 12.872,107 12.872,108 6.56,109 1,110 3.584,111 3.346,112 39.03,113 447.451,114 78.386,115 3.145,116 3.23,117 4.83,118 3.228,119 1.125,120 0.125,121 4.454,122 27091,123 5.139,124 1,125 4.844,126 126,127 5.303,128 166.219,129 2.842,130 4.555,131 12.408,132 114.441,133 0.667,134 3,135 4.421,136 14.656,137 24,138 3.296,139 3.296,140 5.4}
{0 CHEMBL2004025,1 4,3 3.461,4 3.162,5 3.49,6 3.121,7 10.265,8 3.455,9 3.994,10 1,11 99.38,12 14.728,13 7.606,14 1.637,15 3.11,16 3.509,17 179.139,18 3.412,19 3.15,20 5.174,21 3.821,22 1.276,23 2.749,24 248.458,25 11,26 1.301,27 0.987,28 4.339,29 32.722,30 87.67,31 87.67,32 0.895,33 1.311,34 17.281,35 17.369,36 0.039,37 4.334,38 1.064,39 2.591,40 6.248,41 6.248,42 3.921,43 0.033,44 0.033,45 13.801,46 4.752,47 19.61,48 465.62,49 1.588,50 4.153,51 1.611,52 724.29,53 0.031,54 1.246,55 4.08,56 220.666,57 1.288,58 43.002,59 2.134,60 2.134,61 225.629,62 13.852,63 126.881,64 1.505,65 1.505,66 1.731,67 11.639,68 18.5,69 4.245,70 43.232,71 12.47,72 4.257,73 1.291,74 19.162,75 19.162,76 19.162,77 19.162,78 19.162,79 19.647,80 1.633,81 0.282,82 0.282,83 17024,84 4.071,85 1469,86 46.78,87 3.509,88 8.469,89 4.063,90 3.721,91 207.642,92 498.405,93 1.271,94 459,95 0.071,96 0.071,97 33.665,98 15.38,99 46.078,100 -0.951,101 -0.951,102 1.468,103 14.706,104 14.706,105 14.706,106 14.706,107 14.706,108 8.279,109 1.398,110 3.81,111 3.328,112 43.234,113 506.636,114 106.19,115 4.118,116 4.185,117 4.92,118 3.409,119 1,121 5.351,122 31463,123 6.681,124 1.39,125 4.963,126 142,127 5.416,128 247.403,129 3.064,130 4.822,131 14.879,132 144.521,133 1,134 18,135 4.626,136 21.691,137 29,138 3.434,139 3.434,140 5.5}
{0 CHEMBL2004118,1 1,2 1,3 3.494,4 3.313,5 3.574,6 3.32,7 8.854,8 3.37,9 3.496,10 0.771,11 79.878,12 12.53,13 6.385,14 1.568,15 3.068,16 3.434,17 169.418,18 3.294,19 3.095,20 5.171,21 3.56,22 1.021,23 2.771,24 209.933,25 4,26 1.369,27 0.603,28 4.675,29 28.864,30 74.027,31 74.027,32 0.353,33 1.275,34 15.436,35 14.806,36 -0.298,37 3.711,38 0.457,39 2.817,40 6.216,41 6.216,42 3.383,43 -0.248,44 -0.248,45 12.242,46 4.592,47 17.902,48 385.175,49 1.376,50 3.927,51 1.631,52 587.96,53 -0.179,54 1.293,55 3.501,56 184.961,57 1.402,58 41.698,59 2.084,60 2.084,61 210.379,62 11.185,63 112.096,64 1.493,65 1.493,66 1.677,67 10.245,68 17.5,69 3.481,70 41.596,71 10.815,72 4.688,73 1.295,74 17.317,75 17.317,76 17.317,77 17.317,78 17.317,79 17.935,80 1.599,81 0.233,82 0.233,83 11723,84 3.968,85 843,86 42.218,87 3.445,88 7.967,89 3.435,90 3.784,91 179.668,92 430.15,93 1.153,94 376,95 -0.639,96 -0.639,97 30.432,98 14.851,99 42.742,100 -1.458,101 -1.458,102 1.535,103 13.797,104 13.797,105 13.797,106 13.797,107 13.797,108 8.374,109 1.157,110 3.805,111 3.42,112 41.819,113 397.046,114 99.72,115 3.541,116 3.732,117 4.844,118 3.267,119 1.095,120 0.095,121 4.798,122 19912,123 5.528,124 1.369,125 4.905,126 134,127 5.361,128 218.379,129 3.024,130 4.618,131 14.745,132 120.986,133 0.75,134 5,135 3.891,136 17.725,137 25,138 3.367,139 3.367,140 5.6}
{0 CHEMBL2004159,1 1,3 3.392,4 3.171,5 3.458,6 3.146,7 7.396,8 3.296,9 3.207,10 0.598,11 74.105,12 11.758,13 5.065,14 1.475,15 2.952,16 3.345,17 137.784,18 3.229,19 2.967,20 4.538,21 3.424,22 0.797,23 2.687,24 181.236,25 5,26 1.173,27 0.413,28 4.365,29 26.676,30 63.818,31 63.818,32 0.015,33 1.107,34 14.35,35 13.139,36 -0.779,37 3.348,38 0.935,39 2.441,40 4.748,41 4.748,42 3.192,43 -0.591,44 -0.591,45 11.758,46 4.536,47 16.519,48 366.914,49 1.148,50 3.582,51 1.496,52 538.26,53 -0.584,54 1.096,55 3.264,56 148.812,57 1.243,58 38.037,59 1.896,60 1.896,61 174.612,62 9.934,63 102.039,64 1.23,65 1.23,66 1.662,67 10.018,68 15.75,69 3.349,70 37.839,71 9.934,72 3.44,73 1.062,74 16.577,75 16.577,76 16.577,77 16.577,78 16.577,79 16.97,80 1.487,81 -0.867,82 -0.867,83 11880,84 3.913,85 832,86 39.267,87 3.343,88 7.827,89 3.28,90 3.777,91 167.148,92 399.601,93 0.928,94 350,95 -1.303,96 -1.303,97 27.5,98 13.272,99 38.665,100 -1.96,101 -1.96,102 1.583,103 12.776,104 12.776,105 12.776,106 12.776,107 12.776,108 7.271,109 1,110 3.654,111 3.306,112 37.754,113 375.111,114 87.415,115 3.319,116 3.472,117 4.792,118 3.227,119 1,121 4.686,122 20812,123 5.472,124 1.044,125 4.796,126 120,127 5.242,128 192.122,129 2.846,130 4.556,131 12.833,132 116.83,133 1,134 2,135 3.616,136 16.778,137 24,138 3.296,139 3.296,140 5.4}
{0 CHEMBL2004290,3 3.814,4 3.7,5 3.85,6 3.698,7 12.814,8 3.653,9 4.22,10 2.265,11 118.541,12 18.651,13 10.414,14 1.631,15 3.463,16 3.838,17 269.857,18 3.602,19 3.457,20 5.591,21 3.954,22 2.5,23 3.577,24 370.935,25 7,26 1.463,27 2,28 4.98,29 43.255,30 109.453,31 109.453,32 1.096,33 1.531,34 22.033,35 22.043,36 1.5,37 4.149,38 1.161,39 3.6,40 7.636,41 7.636,42 4.112,43 1,44 1,45 18.197,46 5.165,47 26.524,48 597.891,49 1.587,50 4.373,51 1.578,52 907.45,53 1,54 1.44,55 4.182,56 281.184,57 1.666,58 64.344,59 2.596,60 2.596,61 328.665,62 18.082,63 189.421,64 2.225,65 2.225,66 1.783,67 14.569,68 24.5,69 4.126,70 63.276,71 17.557,72 6.933,73 1.534,74 25.298,75 25.298,76 25.298,77 25.298,78 25.298,79 25.947,80 1.61,81 2.275,82 2.275,83 40245,84 4.368,85 3110,86 64.778,87 3.864,88 9.159,89 4.096,90 4.84,91 268.218,92 646.213,93 1.31,94 584,95 2.275,96 2.275,97 45.421,98 21.679,99 65.111,100 2.086,101 2.086,102 2.554,103 20.701,104 20.701,105 20.701,106 20.701,107 20.701,108 11.84,109 1.885,110 4.221,111 3.795,112 63.164,113 625.592,114 151.3,115 4.186,116 4.244,117 5.307,118 3.668,119 1.077,120 0.077,121 6.888,122 70526,123 8.125,124 2.5,125 5.333,126 206,127 5.796,128 346.665,129 3.564,130 5.211,131 21.808,132 214.88,133 0.8,134 8,135 6.004,136 27.217,137 38,138 3.761,139 3.761,140 5.4}
{0 CHEMBL2004311,3 3.467,4 3.254,5 3.516,6 3.217,7 9.579,8 3.425,9 3.657,10 1,11 85.837,12 13.902,13 7.5,14 1.616,15 3.165,16 3.607,17 173.046,18 3.367,19 3.185,20 5.28,21 3.601,22 1.193,23 3.232,24 255.351,25 3,26 1.322,27 0.84,28 4.098,29 33.762,30 75.587,31 75.587,32 0.671,33 1.444,34 16.744,35 16.72,36 -0.168,37 3.805,38 1.087,39 3.024,40 6.355,41 6.355,42 3.559,43 -0.137,44 -0.137,45 13.902,46 4.777,47 20.476,48 420.47,49 1.507,50 4.102,51 1.574,52 631.71,53 -0.134,54 1.261,55 3.476,56 193.15,57 1.312,58 48.594,59 2.193,60 2.193,61 213.1,62 13.157,63 134.881,64 1.879,65 1.879,66 1.715,67 11.164,68 18,69 3.556,70 48.138,71 13.157,72 5.1,73 1.404,74 19.256,75 19.256,76 19.256,77 19.256,78 19.256,79 19.385,80 1.591,81 0.331,82 0.331,83 17463,84 4.101,85 1269,86 50.338,87 3.637,88 8.389,89 3.698,90 4.054,91 207.587,92 498.272,93 1.303,94 407,95 -0.37,96 -0.37,97 35.54,98 15.983,99 50.418,100 -0.891,101 -0.891,102 1.977,103 15.809,104 15.809,105 15.809,106 15.809,107 15.809,108 9.498,109 1.716,110 3.985,111 3.411,112 48.07,113 434.124,114 114.783,115 3.797,116 4.001,117 5.034,118 3.408,119 1.095,120 0.095,121 5.321,122 28884,123 6.222,124 1.415,125 5.056,126 156,127 5.517,128 246.384,129 3.187,130 4.832,131 16.9,132 148.87,133 0.75,134 6,135 4.582,136 20.543,137 29,138 3.497,139 3.497,140 5.4}
{0 CHEMBL2004355,1 2,3 3.485,4 3.278,5 3.545,6 3.273,7 9.039,8 3.445,9 3.43,10 0.965,11 86.723,12 13.151,13 6.755,14 1.532,15 3.197,16 3.389,17 176.849,18 3.404,19 3.214,20 5.062,21 3.699,22 1,23 3.112,24 201.98,25 6,26 1.283,27 0.557,28 4.72,29 28.314,30 80.233,31 80.233,32 0.389,33 1.236,34 14.865,35 14.708,36 -0.537,37 3.641,38 0.834,39 2.6,40 5.777,41 5.777,42 3.345,43 -0.423,44 -0.423,45 12.257,46 4.583,47 17.261,48 427.179,49 1.267,50 3.683,51 1.256,52 670.7,53 -0.405,54 1.257,55 3.447,56 204.17,57 1.391,58 41.233,59 2.01,60 2.01,61 202.965,62 12.855,63 116.211,64 1.436,65 1.436,66 1.687,67 9.791,68 16.25,69 3.539,70 39.97,71 11.468,72 4.276,73 1.245,74 16.85,75 16.85,76 16.85,77 16.85,78 16.85,79 17.328,80 1.518,81 -0.668,82 -0.668,83 15504,84 3.961,85 1028,86 45.105,87 3.403,88 8.076,89 3.458,90 3.655,91 184.202,92 441.213,93 1.034,94 434,95 -0.989,96 -0.989,97 29.063,98 13.876,99 41.949,100 -1.722,101 -1.722,102 1.345,103 13.183,104 13.183,105 13.183,106 13.183,107 13.183,108 7.492,109 1.167,110 3.71,111 3.409,112 40.022,113 467.366,114 96.924,115 3.519,116 3.606,117 4.913,118 3.303,119 1,121 4.429,122 29666,123 5.833,124 1,125 4.875,126 130,127 5.333,128 210.574,129 2.922,130 4.673,131 13.596,132 129.17,133 1,134 8,135 4.372,136 19.57,137 26,138 3.332,139 3.332,140 8.2}
{0 CHEMBL2004365,1 2,3 3.575,4 3.406,5 3.603,6 3.417,7 11.528,8 3.473,9 4.033,10 1.464,11 103.491,12 15.751,13 9.307,14 1.574,15 3.277,16 3.603,17 195.15,18 3.445,19 3.287,20 5.494,21 3.871,22 2.08,23 3.099,24 292.666,25 6,26 1.427,27 1.462,28 4.9,29 33.172,30 87.63,31 87.63,32 1.137,33 1.384,34 17.88,35 18.235,36 0.927,37 4.574,38 1.213,39 3.046,40 6.988,41 6.988,42 3.863,43 0.618,44 0.618,45 14.435,46 4.816,47 20.677,48 511.822,49 1.498,50 4.333,51 1.507,52 831.59,53 0.506,54 1.4,55 3.99,56 273.595,57 1.415,58 51.299,59 2.372,60 2.372,61 230.311,62 14.937,63 147.207,64 1.687,65 1.687,66 1.74,67 11.832,68 19,69 4.161,70 50.004,71 13.128,72 7.418,73 1.325,74 20.181,75 20.181,76 20.181,77 20.181,78 20.181,79 21.02,80 1.569,81 1.372,82 1.372,83 17615,84 4.128,85 1278,86 54.461,87 3.668,88 8.572,89 4.037,90 3.824,91 213.53,92 512.774,93 1.298,94 526,95 1.372,96 1.372,97 35.108,98 17.504,99 52.54,100 0.337,101 0.337,102 2.118,103 16.236,104 16.236,105 16.236,106 16.236,107 16.236,108 9.061,109 1.811,110 3.986,111 3.628,112 49.873,113 558.37,114 121.644,115 4.17,116 4.262,117 5.078,118 3.442,119 1.105,120 0.105,121 5.495,122 33306,123 6.639,124 2.118,125 5.094,126 162,127 5.557,128 246.311,129 3.307,130 4.873,131 17.26,132 148.719,133 0.75,134 7,135 5.042,136 22.474,137 30,138 3.526,139 3.526,140 5.4}
{0 CHEMBL2004419,1 2,3 3.665,4 3.529,5 3.727,6 3.547,7 10.472,8 3.463,9 3.914,10 1.35,11 94.966,12 14.068,13 8.545,14 1.661,15 3.271,16 3.608,17 195.082,18 3.401,19 3.26,20 5.672,21 3.76,22 1.724,23 3.173,24 296.881,25 4,26 1.373,27 1.23,28 4.737,29 33.275,30 82.693,31 82.693,32 0.985,33 1.308,34 17.197,35 17.25,36 0.434,37 4.26,38 1,39 3.414,40 7.393,41 7.393,42 3.859,43 0.329,44 0.329,45 14.419,46 4.825,47 21.014,48 530.94,49 1.445,50 4.221,51 1.544,52 807.35,53 0.292,54 1.364,55 4.047,56 245.862,57 1.464,58 53.297,59 2.31,60 2.31,61 232.101,62 13.317,63 139.207,64 2.045,65 2.045,66 1.736,67 11.491,68 20.25,69 4.23,70 52.612,71 13.895,72 5.795,73 1.266,74 20.102,75 20.102,76 20.102,77 20.102,78 20.102,79 20.759,80 1.642,81 2.253,82 2.253,83 17693,84 4.146,85 1424,86 53.622,87 3.631,88 8.554,89 4.034,90 3.966,91 203.06,92 487.226,93 1.361,94 510,95 0.918,96 0.918,97 34.642,98 17.974,99 54.93,100 0.15,101 0.15,102 2.45,103 16.802,104 16.802,105 16.802,106 16.802,107 16.802,108 9.53,109 1.442,110 4.008,111 3.562,112 52.594,113 541.083,114 115.367,115 4.108,116 4.254,117 5.125,118 3.442,119 1.174,120 0.174,121 5.485,122 31960,123 6.333,124 2.418,125 5.142,126 170,127 5.609,128 245.611,129 3.238,130 4.877,131 17.9,132 150.196,133 0.6,134 9,135 4.982,136 19.604,137 30,138 3.555,139 3.555,140 7.5}
{0 CHEMBL2004438,3 3.491,4 3.318,5 3.538,6 3.3,7 9.16,8 3.433,9 3.573,10 1.204,11 93.693,12 13.597,13 6.686,14 1.523,15 3.137,16 3.568,17 157.317,18 3.382,19 3.186,20 5.363,21 3.688,22 1.501,23 3.266,24 274.206,25 3,26 1.258,27 1.178,28 4.246,29 32.659,30 82.594,31 82.594,32 0.929,33 1.318,34 17.648,35 15.942,36 0.261,37 3.735,38 1,39 3.414,40 7.023,41 7.023,42 3.53,43 0.215,44 0.215,45 14.809,46 4.87,47 20.709,48 549.918,49 1.4,50 3.888,51 1.386,52 807.07,53 0.206,54 1.214,55 3.553,56 214.88,57 1.355,58 52.024,59 2.388,60 2.388,61 199.582,62 12.304,63 144.825,64 1.835,65 1.835,66 1.73,67 11.899,68 20.25,69 3.773,70 51.239,71 14.262,72 4.581,73 1.325,74 20.488,75 20.488,76 20.488,77 20.488,78 20.488,79 20.973,80 1.497,81 2.068,82 2.068,83 26440,84 4.165,85 1585,86 51.968,87 3.543,88 8.569,89 3.604,90 4.253,91 198.662,92 476.495,93 1.075,94 508,95 0.538,96 0.538,97 32.625,98 17.656,99 52.297,100 -0.184,101 -0.184,102 2.5,103 16.79,104 16.79,105 16.79,106 16.79,107 16.79,108 8.995,109 1.322,110 3.928,111 3.462,112 51.451,113 540.683,114 109.694,115 3.634,116 3.75,117 5.104,118 3.471,119 1.091,120 0.091,121 5.652,122 52644,123 6.611,124 2.332,125 5.118,126 166,127 5.58,128 232.801,129 3.348,130 4.929,131 16.869,132 164.333,133 0.75,134 7,135 5.598,136 19.51,137 31,138 3.555,139 3.555,140 5.4}
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{0 CHEMBL2004544,1 2,3 3.5,4 3.35,5 3.545,6 3.356,7 9.219,8 3.354,9 3.503,10 1,11 87.881,12 13.326,13 7.217,14 1.518,15 3.132,16 3.452,17 150.905,18 3.333,19 3.148,20 5.26,21 3.753,22 1.002,23 2.886,24 228.166,25 4,26 1.176,27 0.644,28 4.48,29 28.185,30 70.488,31 70.488,32 0.666,33 1.132,34 14.915,35 14.285,36 -0.365,37 3.75,38 0.856,39 2.921,40 6.458,41 6.458,42 3.456,43 -0.302,44 -0.302,45 12.432,46 4.616,47 17.805,48 454.016,49 1.345,50 3.836,51 1.426,52 726.83,53 -0.282,54 1.145,55 3.572,56 231.126,57 1.386,58 44.102,59 2.077,60 2.077,61 183.66,62 13.535,63 120.211,64 1.534,65 1.534,66 1.691,67 9.89,68 17,69 3.529,70 44.271,71 12.167,72 5.088,73 1.153,74 17.264,75 17.264,76 17.264,77 17.264,78 17.264,79 17.641,80 1.485,81 -0.207,82 -0.207,83 14318,84 3.999,85 974,86 47.114,87 3.452,88 8.101,89 3.516,90 3.731,91 172.343,92 412.276,93 1.114,94 462,95 -0.797,96 -0.797,97 28.71,98 14.959,99 45.069,100 -1.712,101 -1.712,102 1.614,103 14.321,104 14.321,105 14.321,106 14.321,107 14.321,108 7.762,109 1.297,110 3.834,111 3.412,112 44.307,113 495.677,114 95.398,115 3.59,116 3.688,117 4.965,118 3.305,119 1.211,120 0.211,121 4.667,122 28128,123 5.472,124 1.292,125 4.977,126 144,127 5.442,128 209.66,129 3.05,130 4.675,131 15.063,132 126.183,133 0.5,134 8,135 4.834,136 18.561,137 26,138 3.401,139 3.401,140 5.4}
{0 CHEMBL2004615,1 1,3 3.194,4 2.975,5 3.274,6 2.921,7 6.01,8 2.969,9 2.351,10 -0.5,11 57.014,12 8.705,13 4.028,14 1.232,15 2.659,16 2.976,17 107.096,18 2.839,19 2.654,20 4.023,21 3.226,22 -0.296,23 2.375,24 117.571,25 3,26 0.868,27 -0.626,28 4.182,29 18.589,30 51.723,31 51.723,32 -1,33 0.934,34 9.829,35 9.939,36 -1.967,37 3.099,38 -0.807,39 1.474,40 3.213,41 3.213,42 2.137,43 -1.581,44 -1.581,45 8.147,46 3.989,47 11.387,48 292.376,49 1.008,50 3.317,51 1.146,52 446.18,53 -1.492,54 0.773,55 1.838,56 128.797,57 1.046,58 27.246,59 1.411,60 1.411,61 117.096,62 7.613,63 69.487,64 0.878,65 0.878,66 1.577,67 6.658,68 11,69 2.642,70 26.92,71 7.146,72 2.868,73 0.927,74 11.336,75 11.336,76 11.336,77 11.336,78 11.336,79 11.778,80 1.216,81 -2.969,82 -2.969,83 4017,84 3.555,85 291,86 30.495,87 3.002,88 6.897,89 2.682,90 2.808,91 123.441,92 292.957,93 0.787,94 285,95 -4.789,96 -4.789,97 19.415,98 9.362,99 28.623,100 -4.913,101 -4.913,102 0.405,103 8.79,104 8.79,105 8.79,106 8.79,107 8.79,108 4.808,109 0.087,110 3.275,111 3.194,112 26.856,113 305.845,114 68.331,115 2.878,116 3.165,117 4.451,118 2.91,119 1,121 3.021,122 7004,123 3.889,124 0.146,125 4.466,126 86,127 4.92,128 125.851,129 2.39,130 4.058,131 8.816,132 68.706,133 1,134 4,135 2.587,136 12.767,137 17,138 2.944,139 2.944,140 5.4}
{0 CHEMBL2004637,1 1,3 3.682,4 3.496,5 3.754,6 3.488,7 12.471,8 3.644,9 4.394,10 2.302,11 110.082,12 17.706,13 9.906,14 1.748,15 3.41,16 3.83,17 246.779,18 3.583,19 3.415,20 5.456,21 3.845,22 2.343,23 3.338,24 360.118,25 8,26 1.516,27 1.878,28 4.388,29 43.933,30 105.267,31 105.267,32 1.278,33 1.606,34 21.918,35 21.785,36 1.264,37 4.264,38 1.292,39 3.589,40 7.11,41 7.11,42 4.303,43 0.887,44 0.887,45 17.706,46 5.118,47 26.141,48 530.89,49 1.643,50 4.398,51 1.72,52 790.37,53 0.877,54 1.47,55 4.207,56 245.309,57 1.574,58 60.815,59 2.423,60 2.423,61 311.573,62 16.437,63 185.995,64 1.956,65 1.956,66 1.786,67 14.442,68 23.25,69 4.279,70 59.837,71 16.437,72 6.163,73 1.59,74 24.643,75 24.643,76 24.643,77 24.643,78 24.643,79 24.977,80 1.715,81 2.344,82 2.344,83 29779,84 4.331,85 2850,86 62.239,87 3.862,88 9.146,89 4.318,90 4.525,91 273.004,92 657.89,93 1.439,94 508,95 2.16,96 2.16,97 46.603,98 20.152,99 62.455,100 2.05,101 2.05,102 2.665,103 19.659,104 19.659,105 19.659,106 19.659,107 19.659,108 12.331,109 1.618,110 4.202,111 3.556,112 59.856,113 540.593,114 145.922,115 4.406,116 4.395,117 5.239,118 3.642,119 1.095,120 0.095,121 6.67,122 46960,123 8.167,124 2.407,125 5.273,126 194,127 5.733,128 371.838,129 3.393,130 5.181,131 21.218,132 202.805,133 0.75,134 12,135 5.787,136 26.579,137 37,138 3.714,139 3.714,140 5.4}
{0 CHEMBL2004692,1 3,3 3.639,4 3.428,5 3.682,6 3.37,7 8.582,8 3.417,9 3.431,10 1.138,11 89.138,12 13.691,13 6.231,14 1.526,15 3.027,16 3.399,17 149.195,18 3.334,19 3.073,20 5.1,21 3.67,22 2.118,23 2.924,24 233.991,25 5,26 1.352,27 1.463,28 4.506,29 27.842,30 73.111,31 73.111,32 0.74,33 1.149,34 15.856,35 14.498,36 0.927,37 3.984,38 0.855,39 3.061,40 5.757,41 5.757,42 3.39,43 0.618,44 0.618,45 13.237,46 4.706,47 18.163,48 531.27,49 1.437,50 3.667,51 1.365,52 777.04,53 0.506,54 1.333,55 3.617,56 207.308,57 1.389,58 45.79,59 2.045,60 2.045,61 175.724,62 12.121,63 124.382,64 1.462,65 1.462,66 1.706,67 11.253,68 17.75,69 3.901,70 44.837,71 11.511,72 4.337,73 1.228,74 18.673,75 18.673,76 18.673,77 18.673,78 18.673,79 19.116,80 1.475,81 1.52,82 1.52,83 15749,84 4.036,85 1254,86 46.002,87 3.389,88 8.226,89 3.592,90 3.932,91 175.951,92 421.08,93 1.053,94 505,95 1.372,96 1.372,97 28.125,98 15.533,99 45.763,100 -0.611,101 -0.611,102 2.277,103 14.826,104 14.826,105 14.826,106 14.826,107 14.826,108 7.624,109 1.077,110 3.731,111 3.616,112 44.802,113 539.502,114 105.144,115 3.56,116 3.658,117 4.978,118 3.34,119 1,121 5.327,122 30495,123 6,124 2.176,125 4.963,126 142,127 5.416,128 193.376,129 3.018,130 4.721,131 14.424,132 132.879,133 1,134 9,135 4.209,136 18.993,137 27,138 3.434,139 3.434,140 5.4}
{0 CHEMBL2004716,3 3.776,4 3.586,5 3.85,6 3.579,7 13.845,8 3.656,9 4.242,10 2.248,11 121.552,12 19.326,13 10.009,14 1.756,15 3.464,16 3.882,17 280.986,18 3.61,19 3.461,20 5.374,21 3.95,22 2.5,23 3.465,24 360.823,25 10,26 1.536,27 2,28 4.97,29 46.12,30 114.167,31 114.167,32 1.166,33 1.6,34 23.348,35 23.27,36 1.447,37 4.246,38 1.24,39 3.479,40 6.783,41 6.783,42 4.111,43 1,44 1,45 18.872,46 5.213,47 27.569,48 543.292,49 1.618,50 4.421,51 1.732,52 827.88,53 1,54 1.495,55 4.065,56 264.222,57 1.641,58 61.827,59 2.455,60 2.455,61 362.838,62 17.113,63 194.131,64 2.185,65 2.185,66 1.79,67 15.62,68 24.5,69 4.137,70 61.164,71 16.588,72 7.447,73 1.584,74 26.394,75 26.394,76 26.394,77 26.394,78 26.394,79 26.959,80 1.747,81 2.566,82 2.566,83 42149,84 4.385,85 3607,86 63.231,87 3.931,88 9.234,89 4.151,90 4.993,91 290.8,92 701.312,93 1.408,94 536,95 2.275,96 2.275,97 49.25,98 21.392,99 64.128,100 2.244,101 2.244,102 2.606,103 20.596,104 20.596,105 20.596,106 20.596,107 20.596,108 12.904,109 1.816,110 4.228,111 3.678,112 61.024,113 570.026,114 162.121,115 4.241,116 4.289,117 5.265,118 3.692,119 1.095,120 0.095,121 7.27,122 68020,123 8.806,124 2.524,125 5.293,126 198,127 5.746,128 398.838,129 3.4,130 5.247,131 22.062,132 224.351,133 0.75,134 8,135 5.979,136 28.131,137 39,138 3.761,139 3.761,140 5.9}
{0 CHEMBL2004771,1 1,3 3.403,4 3.23,5 3.455,6 3.206,7 8.409,8 3.392,9 3.296,10 0.983,11 79.32,12 12.776,13 6.203,14 1.568,15 3.151,16 3.482,17 134.797,18 3.344,19 3.173,20 5.04,21 3.535,22 1.361,23 3.032,24 228.649,25 3,26 1.269,27 1.026,28 4.021,29 28.655,30 62.063,31 62.063,32 0.434,33 1.107,34 15.46,35 13.822,36 0.08,37 3.477,38 1,39 3,40 5.776,41 5.776,42 3.225,43 0.064,44 0.064,45 12.776,46 4.66,47 18.321,48 432.67,49 1.214,50 3.758,51 1.368,52 647.99,53 0.062,54 1.23,55 3.197,56 188.363,57 1.309,58 45.845,59 1.984,60 1.984,61 164.851,62 11.636,63 118.211,64 1.544,65 1.544,66 1.684,67 10.589,68 17.25,69 3.322,70 45.564,71 11.636,72 4.587,73 1.097,74 18.102,75 18.102,76 18.102,77 18.102,78 18.102,79 18.249,80 1.51,81 0.86,82 0.86,83 14026,84 4.022,85 848,86 46.634,87 3.482,88 8.063,89 3.396,90 3.975,91 171.417,92 410.017,93 1.033,94 415,95 0.169,96 0.169,97 29.495,98 15.082,99 46.372,100 -1.089,101 -1.089,102 1.961,103 14.847,104 14.847,105 14.847,106 14.847,107 14.847,108 8.316,109 1.327,110 3.866,111 3.331,112 45.505,113 437.723,114 97.851,115 3.483,116 3.661,117 4.994,118 3.304,119 1.167,120 0.167,121 5.045,122 25115,123 5.556,124 1.847,125 4.99,126 146,127 5.451,128 198.905,129 2.96,130 4.675,131 15.516,132 128.323,133 0.6,134 8,135 4.205,136 17.51,137 26,138 3.434,139 3.434,140 5.4}
{0 CHEMBL2004871,1 1,3 3.484,4 3.298,5 3.543,6 3.294,7 7.117,8 3.028,9 3.336,10 0.5,11 67.854,12 10.398,13 4.955,14 1.403,15 2.758,16 3.289,17 133.872,18 2.969,19 2.774,20 4.417,21 3.348,22 0.5,23 2.5,24 172.82,25 5,26 1.226,27 0.006,28 4.419,29 24.85,30 61.179,31 61.179,32 -0.351,33 1.107,34 13.244,35 11.984,36 -1.124,37 3.646,38 0.309,39 2.211,40 4.013,41 4.013,42 3.21,43 -0.926,44 -0.926,45 10.792,46 4.407,47 15.31,48 330.595,49 1.064,50 3.814,51 1.303,52 482.4,53 -0.864,54 1.167,55 3.147,56 141.596,57 1.2,58 35.355,59 1.603,60 1.603,61 167.911,62 8.517,63 90.107,64 1.195,65 1.195,66 1.653,67 9.401,68 14.25,69 3.429,70 35.145,71 9.139,72 3.466,73 1.062,74 15.267,75 15.267,76 15.267,77 15.267,78 15.267,79 15.598,80 1.374,81 -1.209,82 -1.209,83 7978,84 3.83,85 712,86 35.851,87 3.297,88 7.646,89 3.535,90 3.41,91 153.818,92 367.076,93 0.886,94 312,95 -1.88,96 -1.88,97 25.739,98 12.395,99 36.508,100 -2.347,101 -2.347,102 1.112,103 11.841,104 11.841,105 11.841,106 11.841,107 11.841,108 7.01,109 0.817,110 3.63,111 3.342,112 35.202,113 330.954,114 82.905,115 3.669,116 3.81,117 4.703,118 3.148,119 1,121 4.433,122 14086,123 5.028,124 0.776,125 4.727,126 112,127 5.176,128 177.421,129 2.557,130 4.424,131 12.324,132 99.497,133 1,134 7,135 3.396,136 14.493,137 22,138 3.219,139 3.219,140 6.1}
{0 CHEMBL2004872,1 1,3 3.492,4 3.313,5 3.554,6 3.308,7 7.984,8 3.3,9 3.444,10 0.632,11 76.069,12 12.169,13 5.644,14 1.49,15 2.982,16 3.422,17 149.98,18 3.236,19 3.003,20 4.557,21 3.453,22 0.839,23 2.737,24 195.005,25 5,26 1.185,27 0.488,28 4.413,29 28.708,30 66.311,31 66.311,32 0.285,33 1.107,34 14.874,35 14.139,36 -0.71,37 3.485,38 0.935,39 2.602,40 4.785,41 4.785,42 3.35,43 -0.539,44 -0.539,45 12.169,46 4.583,47 17.406,48 361.731,49 1.331,50 3.841,51 1.563,52 532.84,53 -0.543,54 1.111,55 3.296,56 154.813,57 1.396,58 40.108,59 1.897,60 1.897,61 194.176,62 10.464,63 110.096,64 1.299,65 1.299,66 1.675,67 10.211,68 15.75,69 3.417,70 39.711,71 10.464,72 3.966,73 1.062,74 17.077,75 17.077,76 17.077,77 17.077,78 17.077,79 17.432,80 1.515,81 -0.784,82 -0.784,83 12450,84 3.949,85 923,86 40.926,87 3.441,88 7.955,89 3.479,90 3.79,91 179.538,92 429.834,93 1.078,94 347,95 -1.258,96 -1.258,97 30.017,98 13.689,99 40.766,100 -1.461,101 -1.461,102 1.583,103 13.254,104 13.254,105 13.254,106 13.254,107 13.254,108 7.877,109 1,110 3.748,111 3.383,112 39.613,113 371.017,114 96.49,115 3.59,116 3.726,117 4.832,118 3.266,119 1,121 4.76,122 21171,123 5.667,124 1.044,125 4.844,126 126,127 5.293,128 218.705,129 2.862,130 4.615,131 13.707,132 122.669,133 1,134 8,135 3.784,136 17.648,137 25,138 3.332,139 3.332,140 5.4}
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{0 CHEMBL2004892,1 1,3 3.345,4 3.195,5 3.408,6 3.18,7 8.132,8 3.123,9 2.971,10 0.5,11 71.375,12 10.848,13 6.569,14 1.287,15 2.868,16 3.251,17 123.467,18 3.03,19 2.868,20 4.952,21 3.56,22 0.544,23 2.656,24 160.704,25 3,26 1.065,28 4.068,29 23.336,30 62.919,31 62.919,32 -0.735,33 1.107,34 11.399,35 12.107,36 -1.322,37 3.239,38 -0.34,39 2,40 5.416,41 5.416,42 2.862,43 -1,44 -1,45 9.922,46 4.295,47 14.447,48 345.371,49 1.095,50 3.562,51 1.237,52 547.06,53 -0.88,54 1.017,55 3.074,56 179.659,57 1.268,58 35.344,59 1.883,60 1.883,61 142.364,62 11.48,63 86.239,64 1.183,65 1.183,66 1.627,67 7.764,68 13,69 3.159,70 35.087,71 10.097,72 3.72,73 1.062,74 13.618,75 13.618,76 13.618,77 13.618,78 13.618,79 13.823,80 1.284,81 -2.613,82 -2.613,83 8137,84 3.778,85 530,86 36.396,87 3.289,88 7.45,89 3.014,90 3.319,91 148.692,92 354.568,93 0.886,94 357,95 -3,96 -3,97 24.387,98 11.716,99 35.703,100 -3,101 -3,102 0.921,103 11.364,104 11.364,105 11.364,106 11.364,107 11.364,108 6.324,109 0.684,110 3.613,111 3.278,112 35.182,113 384.504,114 85.059,115 3.12,116 3.347,117 4.771,118 3.103,119 1.133,120 0.133,121 3.711,122 15055,123 4.375,124 0.653,125 4.745,126 114,127 5.209,128 160.015,129 2.839,130 4.364,131 12.05,132 95.269,133 0.667,134 6,135 3.527,136 15.285,137 21,138 3.178,139 3.178,140 5.4}
{0 CHEMBL2004934,3 3.497,4 3.316,5 3.557,6 3.31,7 8.23,8 3.301,9 3.467,10 0.755,11 78.945,12 12.169,13 5.902,14 1.49,15 2.982,16 3.458,17 154.144,18 3.237,19 3.007,20 5.064,21 3.492,22 0.842,23 2.869,24 209.098,25 5,26 1.185,27 0.508,28 4.469,29 29.597,30 70.184,31 70.184,32 0.342,33 1.107,34 15.321,35 14.57,36 -0.575,37 3.588,38 0.935,39 2.662,40 5.782,41 5.782,42 3.41,43 -0.489,44 -0.489,45 12.58,46 4.628,47 17.956,48 389.6,49 1.332,50 3.875,51 1.563,52 567.3,53 -0.472,54 1.111,55 3.415,56 164.474,57 1.398,58 41.725,59 2.087,60 2.087,61 201.094,62 10.464,63 118.211,64 1.478,65 1.478,66 1.688,67 10.424,68 16,69 3.504,70 41.264,71 11.004,72 4.164,73 1.068,74 17.577,75 17.577,76 17.577,77 17.577,78 17.577,79 17.917,80 1.515,81 -0.217,82 -0.217,83 13742,84 3.984,85 1000,86 42.754,87 3.474,88 8.078,89 3.524,90 3.805,91 183.535,92 439.585,93 1.073,94 368,95 -1.201,96 -1.201,97 30.711,98 14.17,99 42.736,100 -1.456,101 -1.456,102 1.583,103 13.738,104 13.738,105 13.738,106 13.738,107 13.738,108 8.114,109 1.099,110 3.795,111 3.397,112 41.252,113 392.909,114 98.225,115 3.607,116 3.747,117 4.871,118 3.304,119 1,121 4.855,122 23862,123 5.861,124 1.239,125 4.89,126 132,127 5.342,128 227.624,129 3.049,130 4.672,131 14.273,132 128.602,133 1,134 5,135 4.068,136 17.648,137 26,138 3.367,139 3.367,140 5.4}
{0 CHEMBL2005186,1 1,3 3.716,4 3.527,5 3.78,6 3.519,7 11.046,8 3.532,9 4.228,10 1.952,11 103.354,12 16.547,13 8.249,14 1.647,15 3.28,16 3.724,17 219.405,18 3.466,19 3.302,20 5.347,21 3.786,22 2.385,23 3.374,24 323.567,25 7,26 1.367,27 1.899,28 4.784,29 38.299,30 90.003,31 90.003,32 1.16,33 1.499,34 19.976,35 18.871,36 1.334,37 4.085,38 1.254,39 3.481,40 6.932,41 6.932,42 4.138,43 0.925,44 0.925,45 16.547,46 5.033,47 23.87,48 539.049,49 1.608,50 4.113,51 1.578,52 797.31,53 0.899,54 1.325,55 4.071,56 230.388,57 1.603,58 57.325,59 2.342,60 2.342,61 277.444,62 15.171,63 170.974,64 1.924,65 1.924,66 1.762,67 13.801,68 22.25,69 4.133,70 56.775,71 15.171,72 5.218,73 1.509,74 23.187,75 23.187,76 23.187,77 23.187,78 23.187,79 23.579,80 1.605,81 2.494,82 2.494,83 26798,84 4.271,85 2262,86 58.097,87 3.731,88 8.879,89 4.164,90 4.543,91 233.906,92 562.492,93 1.321,94 515,95 2.322,96 2.322,97 39.796,98 19.484,99 57.633,100 1.3,101 1.3,102 2.625,103 18.84,104 18.84,105 18.84,106 18.84,107 18.84,108 10.902,109 1.534,110 4.08,111 3.608,112 56.723,113 546.502,114 128.495,115 4.228,116 4.167,117 5.203,118 3.561,119 1.16,120 0.16,121 6.635,122 45886,123 7.361,124 2.587,125 5.209,126 182,127 5.666,128 315.498,129 3.297,130 5.053,131 19.495,132 182.674,133 0.6,134 11,135 5.324,136 23.493,137 34,138 3.664,139 3.664,140 5.4}
{0 CHEMBL2005375,1 3,2 1,3 3.784,4 3.65,5 3.839,6 3.65,7 13.686,8 3.656,9 4.312,10 1.992,11 113.039,12 17.995,13 10.418,14 1.751,15 3.429,16 3.858,17 251.187,18 3.596,19 3.434,20 5.935,21 3.889,22 2,23 3.41,24 371.479,25 7,26 1.577,27 2,28 4.535,29 44.702,30 112.87,31 112.87,32 1.243,33 1.594,34 23.781,35 22.126,36 1,37 4.329,38 1.519,39 3.538,40 8.235,41 8.235,42 4.179,43 1,44 1,45 17.995,46 5.14,47 27.034,48 525.015,49 1.701,50 4.544,51 1.798,52 782.28,53 1,54 1.507,55 4.063,56 260.685,57 1.52,58 61.437,59 2.54,60 2.54,61 340.094,62 15.873,63 184.75,64 2.154,65 2.154,66 1.781,67 14.81,68 25,69 4.143,70 61.167,71 15.873,72 8.063,73 1.602,74 25.378,75 25.378,76 25.378,77 25.378,78 25.378,79 25.926,80 1.779,81 2.617,82 2.617,83 29623,84 4.346,85 2549,86 63.274,87 3.887,88 9.117,89 4.304,90 4.615,91 271.724,92 654.767,93 1.516,94 497,95 2.136,96 2.136,97 47.58,98 20.906,99 64.046,100 1.372,101 1.372,102 2.402,103 20.093,104 20.093,105 20.093,106 20.093,107 20.093,108 13.496,109 1.809,110 4.258,111 3.664,112 61.156,113 527.539,114 143.775,115 4.438,116 4.536,117 5.187,118 3.642,119 1.074,120 0.074,121 6.844,122 45464,123 8.25,124 2.177,125 5.293,126 198,127 5.753,128 381.677,129 3.506,130 5.18,131 23.002,132 203.531,133 0.8,134 11,135 5.98,136 25.941,137 37,138 3.738,139 3.738,140 5.4}
{0 CHEMBL2005449,1 1,2 1,3 3.275,4 3.08,5 3.36,6 3.079,7 7.181,8 3.223,9 3.32,10 0.5,11 69.883,12 10.975,13 5.174,14 1.451,15 2.918,16 3.258,17 135.082,18 3.128,19 2.915,20 4.753,21 3.411,22 0.57,23 2.908,24 162.623,25 5,26 1.216,27 0.204,28 4.313,29 24.59,30 60.033,31 60.033,32 -0.191,33 1.107,34 12.749,35 12.724,36 -0.902,37 3.612,38 0.096,39 2.233,40 5.314,41 5.314,42 3.204,43 -0.753,44 -0.753,45 10.687,46 4.407,47 15.244,48 347.892,49 1.108,50 3.458,51 1.441,52 521.47,53 -0.72,54 1.145,55 3.337,56 147.027,57 1.273,58 35.473,59 1.957,60 1.957,61 159.589,62 10.054,63 94.107,64 1.481,65 1.481,66 1.643,67 9.067,68 14.75,69 3.612,70 35.026,71 9.646,72 3.157,73 1.062,74 14.894,75 14.894,76 14.894,77 14.894,78 14.894,79 15.376,80 1.458,81 -1.183,82 -1.183,83 9004,84 3.829,85 662,86 35.154,87 3.264,88 7.6,89 3.377,90 3.585,91 158.155,92 377.658,93 0.886,94 340,95 -1.815,96 -1.815,97 25.699,98 12.746,99 35.502,100 -2.276,101 -2.276,102 0.977,103 11.916,104 11.916,105 11.916,106 11.916,107 11.916,108 6.736,109 0.765,110 3.571,111 3.356,112 35.262,113 362.515,114 89.673,115 3.45,116 3.474,117 4.703,118 3.146,119 1,121 4.424,122 15634,123 4.833,124 0.793,125 4.727,126 112,127 5.176,128 175.24,129 2.8,130 4.431,131 11.926,132 102.586,133 1,134 4,135 3.29,136 15.864,137 22,138 3.219,139 3.219,140 5.7}
{0 CHEMBL2005475,3 3.51,4 3.306,5 3.571,6 3.281,7 9.442,8 3.302,9 3.499,10 0.549,11 76.88,12 12.218,13 7.539,14 1.549,15 3.092,16 3.469,17 154.398,18 3.238,19 3.072,20 4.629,21 3.541,22 0.728,23 2.703,24 195.315,25 4,26 1.32,27 0.406,28 4.064,29 28.707,30 69.429,31 69.429,32 0.202,33 1.405,34 14.927,35 14.364,36 -0.634,37 3.693,38 1,39 2.923,40 4.599,41 4.599,42 3.358,43 -0.6,44 -0.6,45 11.81,46 4.546,47 17.614,48 331.521,49 1.379,50 3.802,51 1.513,52 520.57,53 -0.598,54 1.259,55 3.31,56 183.567,57 1.467,58 40.85,59 1.722,60 1.722,61 182.895,62 10.996,63 102.039,64 1.37,65 1.37,66 1.665,67 10.087,68 14.75,69 3.53,70 40.427,71 10.353,72 5.841,73 1.376,74 16.706,75 16.706,76 16.706,77 16.706,78 16.706,79 16.971,80 1.528,81 0.548,82 0.548,83 10012,84 3.93,85 806,86 41.52,87 3.537,88 7.842,89 3.475,90 3.797,91 178.47,92 427.226,93 1.18,94 334,95 -1.327,96 -1.327,97 30.972,98 13.813,99 41.015,100 -1.647,101 -1.647,102 1.674,103 13.37,104 13.37,105 13.37,106 13.37,107 13.37,108 8.633,109 1.001,110 3.862,111 3.453,112 40.404,113 352.968,114 99.096,115 3.628,116 3.733,117 4.818,118 3.228,119 1.1,120 0.1,121 4.844,122 15420,123 5.278,124 1.634,125 4.86,126 128,127 5.313,128 206.869,129 2.673,130 4.554,131 15.124,132 115.093,133 0.75,134 4,135 3.849,136 16.709,137 24,138 3.332,139 3.332,140 6.4}
{0 CHEMBL2005478,3 3.358,4 3.218,5 3.41,6 3.232,7 7.595,8 3.249,9 3.267,10 0.614,11 75.33,12 11.23,13 5.959,14 1.457,15 2.903,16 3.292,17 138.505,18 3.161,19 2.892,20 4.99,21 3.553,22 0.738,23 3.005,24 186.582,25 2,26 1.165,27 0.259,28 4.629,29 24.46,30 59.419,31 59.419,32 -0.218,33 1.152,34 12.715,35 13.678,36 -0.859,37 3.634,38 0.045,39 2.391,40 5.847,41 5.847,42 3.126,43 -0.662,44 -0.662,45 10.652,46 4.388,47 15.485,48 378.631,49 1.167,50 3.692,51 1.523,52 588.69,53 -0.604,54 1.086,55 3.656,56 192.105,57 1.298,58 38.751,59 2.063,60 2.063,61 162.015,62 10.778,63 98.107,64 1.525,65 1.525,66 1.648,67 8.533,68 15.25,69 3.651,70 38.525,71 9.962,72 4.173,73 1.125,74 14.989,75 14.989,76 14.989,77 14.989,78 14.989,79 15.618,80 1.483,81 -1.115,82 -1.115,83 8138,84 3.845,85 600,86 39.111,87 3.299,88 7.628,89 3.343,90 3.398,91 154.342,92 368.355,93 1.003,94 374,95 -1.804,96 -1.804,97 25.637,98 13.299,99 40.112,100 -2.528,101 -2.528,102 0.956,103 12.291,104 12.291,105 12.291,106 12.291,107 12.291,108 6.73,109 0.789,110 3.683,111 3.429,112 38.69,113 399.785,114 88.336,115 3.428,116 3.537,117 4.828,118 3.148,119 1.222,120 0.222,121 4.011,122 14687,123 4.722,124 0.813,125 4.828,126 124,127 5.293,128 170.015,129 2.923,130 4.431,131 12.818,132 99.114,133 0.5,134 4,135 3.435,136 16.267,137 22,138 3.258,139 3.258,140 5.4}
{0 CHEMBL2005528,1 1,3 3.295,4 3.102,5 3.365,6 3.098,7 6.303,8 3.127,9 2.637,10 -0.057,11 58.142,12 9.203,13 4.465,14 1.257,15 2.864,16 3.155,17 124.426,18 3.1,19 2.899,20 4.384,21 3.227,22 0.195,23 2.481,24 145.309,25 3,26 1.038,27 -0.103,28 4.574,29 21.348,30 53.104,31 53.104,32 -0.648,33 1.008,34 11.625,35 10.578,36 -1.393,37 3.186,38 -0.401,39 2.153,40 4.102,41 4.102,42 2.574,43 -1.093,44 -1.093,45 9.203,46 4.171,47 13.255,48 307.671,49 1.225,50 3.392,51 1.216,52 457.45,53 -1.077,54 0.992,55 2.687,56 134.223,57 1.183,58 32.13,59 1.591,60 1.591,61 150.955,62 8.235,63 80.711,64 1.197,65 1.197,66 1.605,67 7.593,68 12.5,69 2.803,70 31.781,71 8.235,72 3.305,73 0.995,74 12.939,75 12.939,76 12.939,77 12.939,78 12.939,79 13.221,80 1.238,81 -2.604,82 -2.604,83 5273,84 3.689,85 382,86 33.892,87 3.151,88 7.195,89 2.852,90 3.088,91 130.896,92 311.146,93 0.939,94 291,95 -3.222,96 -3.222,97 21.943,98 10.636,99 33.33,100 -3.462,101 -3.462,102 0.663,103 10.319,104 10.319,105 10.319,106 10.319,107 10.319,108 6.205,109 0.369,110 3.532,111 3.141,112 31.74,113 307.552,114 70.084,115 2.937,116 3.223,117 4.61,118 3.012,119 1.308,120 0.308,121 3.502,122 8994,123 4.222,124 0.598,125 4.635,126 102,127 5.094,128 155.71,129 2.528,130 4.216,131 10.989,132 80.876,133 0.333,134 7,135 3.064,136 13.405,137 19,138 3.091,139 3.091,140 5.4}
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{0 CHEMBL2005631,3 3.534,4 3.356,5 3.591,6 3.345,7 10.574,8 3.48,9 3.792,10 1.491,11 100.883,12 15.411,13 8.009,14 1.607,15 3.153,16 3.643,17 210.368,18 3.425,19 3.194,20 5.439,21 3.78,22 1.535,23 3.382,24 291.473,25 4,26 1.335,27 1.23,28 4.947,29 35.321,30 92.333,31 92.333,32 1,33 1.383,34 18.456,35 18.14,36 0.341,37 3.935,38 1.089,39 3.414,40 7.082,41 7.082,42 3.708,43 0.287,44 0.287,45 15.367,46 4.914,47 21.896,48 526.231,49 1.416,50 4.098,51 1.536,52 798.84,53 0.262,54 1.266,55 3.738,56 238.95,57 1.424,58 52.807,59 2.326,60 2.326,61 257.262,62 14.106,63 156,64 1.978,65 1.978,66 1.74,67 12.309,68 20.5,69 3.798,70 52.311,71 14.099,72 5.933,73 1.364,74 21.386,75 21.386,76 21.386,77 21.386,78 21.386,79 21.831,80 1.582,81 2.028,82 2.028,83 25747,84 4.193,85 1706,86 55.052,87 3.665,88 8.671,89 3.789,90 4.261,91 220.985,92 530.963,93 1.26,94 512,95 0.67,96 0.67,97 36.614,98 17.831,99 55.545,100 0.406,101 0.406,102 2.5,103 17.164,104 17.164,105 17.164,106 17.164,107 17.164,108 9.634,109 1.703,110 4.009,111 3.553,112 52.194,113 546.026,114 124.504,115 3.854,116 3.97,117 5.133,118 3.502,119 1.095,120 0.095,121 5.735,122 47666,123 7.028,124 2.234,125 5.142,126 170,127 5.602,128 274.913,129 3.305,130 4.972,131 17.818,132 170.226,133 0.75,134 7,135 5.137,136 22.311,137 32,138 3.584,139 3.584,140 5.4}
{0 CHEMBL2005699,3 3.625,4 3.478,5 3.664,6 3.464,7 11.023,8 3.562,9 4.179,10 2.138,11 104.352,12 16.63,13 9.063,14 1.683,15 3.369,16 3.74,17 218.811,18 3.544,19 3.373,20 5.435,21 3.792,22 2.399,23 3.39,24 333.236,25 8,26 1.449,27 1.933,28 4.377,29 39.433,30 93.571,31 93.571,32 1.266,33 1.38,34 20.008,35 19.61,36 1.335,37 4.177,38 1.458,39 3.527,40 7.15,41 7.15,42 4.114,43 0.935,44 0.935,45 16.63,46 5.033,47 24.057,48 557.518,49 1.583,50 4.202,51 1.6,52 821.79,53 0.927,54 1.41,55 4.076,56 237.316,57 1.529,58 59.091,59 2.505,60 2.505,61 262.6,62 16.086,63 168.77,64 2.011,65 2.011,66 1.771,67 13.285,68 21.75,69 4.134,70 57.931,71 16.086,72 5.403,73 1.417,74 22.902,75 22.902,76 22.902,77 22.902,78 22.902,79 23.131,80 1.648,81 2.319,82 2.319,83 29365,84 4.277,85 2507,86 60.961,87 3.747,88 8.973,89 4.127,90 4.416,91 242.498,92 583.455,93 1.374,94 528,95 2.275,96 2.275,97 40.665,98 19.111,99 59.402,100 1.286,101 1.286,102 2.537,103 18.745,104 18.745,105 18.745,106 18.745,107 18.745,108 10.88,109 1.618,110 4.111,111 3.561,112 57.937,113 563.675,114 129.809,115 4.173,116 4.146,117 5.223,118 3.589,119 1.095,120 0.095,121 6.318,122 52093,123 7.5,124 2.5,125 5.231,126 186,127 5.694,128 297.619,129 3.459,130 5.096,131 19.576,132 189.019,133 0.75,134 11,135 5.639,136 25.165,137 35,138 3.664,139 3.664,140 6.1}
{0 CHEMBL2005792,1 3,2 1,3 3.714,4 3.576,5 3.767,6 3.563,7 9.768,8 3.385,9 4.015,10 1.37,11 94.89,12 14.52,13 7.887,14 1.546,15 3.122,16 3.599,17 213.049,18 3.333,19 3.148,20 5.408,21 3.707,22 1.584,23 3.211,24 292.076,25 7,26 1.292,27 1.218,28 4.942,29 34.682,30 91.105,31 91.105,32 1,33 1.338,34 18.371,35 17.503,36 0.411,37 4.206,38 1.121,39 3.414,40 6.974,41 6.974,42 3.935,43 0.345,44 0.345,45 14.914,46 4.87,47 21.448,48 512.521,49 1.428,50 4.124,51 1.571,52 757.9,53 0.299,54 1.25,55 3.943,56 218.799,57 1.636,58 51.279,59 2.367,60 2.367,61 266.89,62 13.151,63 147.58,64 1.845,65 1.845,66 1.744,67 11.986,68 21.25,69 4.109,70 51.045,71 13.773,72 4.872,73 1.343,74 20.894,75 20.894,76 20.894,77 20.894,78 20.894,79 21.532,80 1.548,81 1.613,82 1.613,83 19579,84 4.166,85 1781,86 52.629,87 3.589,88 8.641,89 4.084,90 4.041,91 212.911,92 511.262,93 1.161,94 481,95 0.583,96 0.583,97 35.733,98 17.648,99 53.362,100 0.477,101 0.477,102 2.261,103 16.624,104 16.624,105 16.624,106 16.624,107 16.624,108 9.574,109 1.199,110 3.97,111 3.611,112 50.939,113 515.084,114 115.489,115 4.135,116 4.163,117 5.078,118 3.473,119 1.095,120 0.095,121 5.513,122 34231,123 6.833,124 1.825,125 5.118,126 166,127 5.58,128 276.499,129 3.29,130 4.92,131 17.365,132 158.562,133 0.75,134 8,135 4.865,136 21.14,137 31,138 3.555,139 3.555,140 7.1}
{0 CHEMBL2005828,1 2,3 3.451,4 3.236,5 3.501,6 3.196,7 8.328,8 3.347,9 3.436,10 1.042,11 82.083,12 13.097,13 6.111,14 1.517,15 3.068,16 3.472,17 162.241,18 3.292,19 3.092,20 5.034,21 3.555,22 1.297,23 3.232,24 227.3,25 3,26 1.269,27 0.908,28 4.351,29 29.697,30 70.68,31 70.68,32 0.709,33 1.218,34 15.515,35 14.562,36 -0.109,37 3.537,38 0.811,39 2.966,40 5.879,41 5.879,42 3.354,43 -0.086,44 -0.086,45 13.097,46 4.694,47 18.582,48 444.282,49 1.352,50 3.727,51 1.452,52 657.5,53 -0.084,54 1.224,55 3.314,56 182.808,57 1.344,58 45.212,59 2.146,60 2.146,61 191.46,62 11.97,63 120.382,64 1.795,65 1.795,66 1.694,67 10.757,68 18,69 3.415,70 44.79,71 11.97,72 4.163,73 1.224,74 18.309,75 18.309,76 18.309,77 18.309,78 18.309,79 18.56,80 1.493,81 0.483,82 0.483,83 16109,84 4.038,85 1048,86 45.967,87 3.462,88 8.167,89 3.452,90 4.006,91 182.806,92 437.807,93 1.071,94 424,95 -0.201,96 -0.201,97 30.506,98 15.206,99 46.359,100 -0.754,101 -0.754,102 2.187,103 14.814,104 14.814,105 14.814,106 14.814,107 14.814,108 8.208,109 1,110 3.824,111 3.394,112 44.783,113 452.15,114 103.173,115 3.529,116 3.574,117 4.98,118 3.339,119 1.095,120 0.095,121 5.13,122 28508,123 5.861,124 1.424,125 4.977,126 144,127 5.434,128 207.46,129 3.126,130 4.726,131 15.02,132 136.301,133 0.75,134 8,135 4.214,136 18.803,137 27,138 3.434,139 3.434,140 5.4}
{0 CHEMBL2005886,3 3.731,4 3.534,5 3.785,6 3.517,7 11.597,8 3.511,9 4.128,10 2,11 106.577,12 16.78,13 8.827,14 1.644,15 3.267,16 3.735,17 248.091,18 3.453,19 3.271,20 5.25,21 3.837,22 2.046,23 3.304,24 328.993,25 6,26 1.41,27 1.952,28 5.111,29 38.874,30 99.741,31 99.741,32 1.256,33 1.429,34 20.683,35 19.524,36 1,37 4.17,38 1.466,39 3.473,40 6.346,41 6.346,42 4.047,43 1,44 1,45 16.491,46 5.023,47 24.054,48 513.957,49 1.599,50 4.276,51 1.63,52 782.01,53 0.946,54 1.354,55 4.066,56 246.921,57 1.591,58 57.956,59 2.244,60 2.244,61 306.639,62 15.503,63 168.974,64 1.971,65 1.971,66 1.761,67 13.555,68 23,69 4.188,70 57.373,71 15.094,72 6.29,73 1.376,74 23.085,75 23.085,76 23.085,77 23.085,78 23.085,79 23.721,80 1.643,81 2.52,82 2.52,83 27261,84 4.267,85 2214,86 59.224,87 3.742,88 8.877,89 4.142,90 4.467,91 238.631,92 574.02,93 1.351,94 500,95 2.136,96 2.136,97 40.625,98 19.837,99 59.119,100 1.915,101 1.915,102 2.481,103 18.775,104 18.775,105 18.775,106 18.775,107 18.775,108 11.08,109 1.689,110 4.125,111 3.629,112 57.448,113 529.428,114 133.134,115 4.214,116 4.258,117 5.17,118 3.561,119 1.074,120 0.074,121 6.459,122 48569,123 7.361,124 2.333,125 5.22,126 184,127 5.68,128 327.659,129 3.15,130 5.056,131 20.11,132 182.048,133 0.8,134 3,135 5.491,136 24.156,137 34,138 3.664,139 3.664,140 5.4}
{0 CHEMBL2005899,1 1,3 3.466,4 3.261,5 3.508,6 3.24,7 7.411,8 3.323,9 3.615,10 0.338,11 66.991,12 10.642,13 6.606,14 1.497,15 3.029,16 3.329,17 154.215,18 3.228,19 3.005,20 4.991,21 3.366,22 0.427,23 2.798,24 181.323,25 4,26 1.252,28 4.084,29 26.95,30 68.98,31 68.98,32 -0.365,33 1.308,34 12.908,35 13.992,36 -1,37 3.833,38 0.023,39 2,40 5.202,41 5.202,42 3.483,43 -1,44 -1,45 10.642,46 4.376,47 15.798,48 349.106,49 1.239,50 3.918,51 1.606,52 518.23,53 -0.958,54 1.159,55 3.264,56 155.888,57 1.346,58 38.285,59 1.746,60 1.746,61 179.686,62 10.682,63 95.287,64 1.278,65 1.278,66 1.667,67 8.125,68 14.5,69 3.542,70 37.081,71 10.682,72 3.914,73 1.239,74 14.353,75 14.353,76 14.353,77 14.353,78 14.353,79 14.543,80 1.541,81 -2,82 -2,83 7987,84 3.832,85 747,86 39.392,87 3.351,88 7.791,89 3.608,90 3.231,91 170.933,92 408.837,93 0.934,94 330,95 -2.347,96 -2.347,97 28.233,98 12.081,99 39.494,100 -2.582,101 -2.582,102 0.586,103 11.766,104 11.766,105 11.766,106 11.766,107 11.766,108 7.312,109 1,110 3.648,111 3.374,112 37.089,113 354.073,114 87.641,115 3.665,116 3.809,117 4.758,118 3.189,119 1,121 3.791,122 12477,123 4.944,124 0.5,125 4.796,126 120,127 5.303,128 189.421,129 2.686,130 4.497,131 12.636,132 105.358,133 1,134 2,135 3.653,136 17.361,137 23,138 3.219,139 3.219,140 5.4}
{0 CHEMBL2005936,1 1,3 3.718,4 3.563,5 3.771,6 3.548,7 11.038,8 3.719,9 4.261,10 2.168,11 100.725,12 16.225,13 7.925,14 1.711,15 3.484,16 3.712,17 203.734,18 3.659,19 3.496,20 5.286,21 3.752,22 2.297,23 3.255,24 319.186,25 7,26 1.419,27 2,28 4.41,29 37.584,30 84.714,31 84.714,32 1,33 1.42,34 19.725,35 18.324,36 1.2,37 4.188,38 1.198,39 3.285,40 6.62,41 6.62,42 4.147,43 1,44 1,45 16.225,46 4.999,47 23.402,48 513.153,49 1.648,50 4.197,51 1.575,52 758.31,53 1,54 1.365,55 4.018,56 224.483,57 1.621,58 55.763,59 2.333,60 2.333,61 251.349,62 14.181,63 158.465,64 1.831,65 1.831,66 1.758,67 13.925,68 20.5,69 4.146,70 55.124,71 14.181,72 5.526,73 1.448,74 23.007,75 23.007,76 23.007,77 23.007,78 23.007,79 23.195,80 1.68,81 2.136,82 2.136,83 22524,84 4.243,85 2038,86 56.055,87 3.734,88 8.814,89 4.216,90 4.392,91 229.91,92 552.741,93 1.394,94 491,95 2.047,96 2.047,97 39.341,98 18.608,99 56.562,100 1.838,101 1.838,102 2.5,103 18.306,104 18.306,105 18.306,106 18.306,107 18.306,108 10.925,109 1.354,110 4.075,111 3.649,112 55.115,113 519.874,114 130.225,115 4.303,116 4.274,117 5.175,118 3.532,119 1.077,120 0.077,121 6.596,122 37412,123 7.333,124 2.5,125 5.176,126 176,127 5.631,128 289.455,129 3.336,130 5.011,131 19.279,132 173.368,133 0.8,134 20,135 5.171,136 22.623,137 33,138 3.638,139 3.638,140 6.1}
{0 CHEMBL2006010,3 3.395,4 3.183,5 3.438,6 3.129,7 7.861,8 3.31,9 3.262,10 0.672,11 84.375,12 11.619,13 5.886,14 1.401,15 2.969,16 3.337,17 129.609,18 3.262,19 3.019,20 5.115,21 3.614,22 0.932,23 2.994,24 215.644,25 2,26 1.062,27 0.416,28 4.379,29 26.239,30 72.241,31 72.241,32 0.51,33 0.942,34 14.54,35 14.246,36 -0.72,37 3.729,38 0.614,39 2.727,40 5.955,41 5.955,42 3.26,43 -0.516,44 -0.516,45 12.253,46 4.592,47 16.886,48 506.151,49 1.111,50 3.517,51 1.155,52 769.27,53 -0.428,54 1.023,55 3.578,56 211.094,57 1.204,58 42.89,59 2.088,60 2.088,61 153.26,62 10.851,63 117.457,64 1.552,65 1.552,66 1.689,67 9.604,68 17.5,69 3.769,70 42.263,71 12.105,72 4.128,73 0.931,74 16.764,75 16.764,76 16.764,77 16.764,78 16.764,79 17.436,80 1.316,81 -0.623,82 -0.623,83 16923,84 3.979,85 940,86 43.54,87 3.297,88 8.092,89 3.285,90 3.667,91 167.155,92 399.618,93 0.929,94 479,95 -1.296,96 -1.296,97 25.813,98 15.117,99 43.696,100 -1.965,101 -1.965,102 1.286,103 13.797,104 13.797,105 13.797,106 13.797,107 13.797,108 7.01,109 1.189,110 3.696,111 3.443,112 42.45,113 510.885,114 89.78,115 3.251,116 3.355,117 4.907,118 3.304,119 1.125,120 0.125,121 4.536,122 37675,123 5.528,124 1.176,125 4.934,126 138,127 5.398,128 172.77,129 3.033,130 4.678,131 13.546,132 127.536,133 0.667,134 5,135 4.889,136 17.397,137 26,138 3.367,139 3.367,140 5.4}
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{0 CHEMBL2006237,3 3.564,4 3.382,5 3.64,6 3.388,7 10.007,8 3.506,9 3.787,10 0.989,11 88.438,12 14.097,13 7.485,14 1.624,15 3.235,16 3.582,17 197.196,18 3.452,19 3.263,20 5.27,21 3.642,22 1.574,23 3.019,24 246.323,25 7,26 1.361,27 1.386,28 4.427,29 34.133,30 84.94,31 84.94,32 0.7,33 1.429,34 17.789,35 16.688,36 0.528,37 3.669,38 1,39 3.151,40 6.535,41 6.535,42 3.685,43 0.433,44 0.433,45 14.097,46 4.8,47 20.799,48 408.932,49 1.492,50 3.991,51 1.548,52 608.3,53 0.41,54 1.306,55 3.604,56 192.955,57 1.486,58 48.097,59 2.169,60 2.169,61 247.928,62 12.697,63 136.881,64 1.573,65 1.573,66 1.714,67 11.766,68 20,69 3.656,70 47.654,71 12.697,72 5.323,73 1.437,74 19.723,75 19.723,76 19.723,77 19.723,78 19.723,79 20.163,80 1.592,81 1.138,82 1.138,83 18077,84 4.107,85 1439,86 48.275,87 3.598,88 8.377,89 3.731,90 4.215,91 210.773,92 506.047,93 1.189,94 391,95 1.128,96 1.128,97 36.108,98 16.554,99 48.799,100 -0.244,101 -0.244,102 2,103 15.826,104 15.826,105 15.826,106 15.826,107 15.826,108 9.849,109 1.274,110 3.951,111 3.438,112 47.673,113 415.432,114 115.076,115 3.846,116 3.888,117 4.97,118 3.407,119 1.095,120 0.095,121 5.619,122 28677,123 6.361,124 1.939,125 5.03,126 152,127 5.485,128 282.457,129 3.14,130 4.828,131 17.099,132 150.728,133 0.75,134 4,135 4.524,136 20.217,137 29,138 3.497,139 3.497,140 5.4}
{0 CHEMBL2006263,1 1,3 3.512,4 3.389,5 3.529,6 3.426,7 8.467,8 3.232,9 3.268,10 0.5,11 75.786,12 11.669,13 6.955,14 1.41,15 2.925,16 3.345,17 134.563,18 3.13,19 2.913,20 5.072,21 3.619,22 0.879,23 3.056,24 183.981,25 3,26 1.149,28 3.903,29 25.863,30 68.131,31 68.131,32 -0.331,33 1.129,34 12.467,35 13.554,36 -1.314,37 3.578,38 -0.075,39 2.543,40 6.142,41 6.142,42 3.175,43 -1,44 -1,45 10.848,46 4.418,47 15.874,48 374.582,49 1.217,50 3.656,51 1.286,52 605.53,53 -0.976,54 1.048,55 3.272,56 201.28,57 1.425,58 38.122,59 2.075,60 2.075,61 152.215,62 12.075,63 98.042,64 1.559,65 1.559,66 1.656,67 8.429,68 14.5,69 3.401,70 37.876,71 10.775,72 4.915,73 1.105,74 14.85,75 14.85,76 14.85,77 14.85,78 14.85,79 15.163,80 1.461,81 -1.402,82 -1.402,83 9422,84 3.862,85 675,86 38.999,87 3.387,88 7.732,89 3.317,90 3.434,91 164.949,92 394.236,93 0.916,94 391,95 -2.699,96 -2.699,97 27.148,98 12.859,99 39.383,100 -2.89,101 -2.89,102 1.119,103 12.311,104 12.311,105 12.311,106 12.311,107 12.311,108 7.032,109 0.54,110 3.696,111 3.463,112 37.935,113 418.764,114 89.947,115 3.423,116 3.527,117 4.846,118 3.188,119 1.125,120 0.125,121 4.019,122 16225,123 4.847,124 1,125 4.828,126 124,127 5.293,128 169.866,129 3.04,130 4.496,131 13.102,132 107.332,133 0.667,134 9,135 3.965,136 16.863,137 23,138 3.258,139 3.258,140 5.4}
{0 CHEMBL2006276,3 3.356,4 3.155,5 3.396,6 3.117,7 7.809,8 3.286,9 3.382,10 0.845,11 76.867,12 12.242,13 5.583,14 1.44,15 2.972,16 3.409,17 134.566,18 3.224,19 2.983,20 5.082,21 3.488,22 1.101,23 2.891,24 216.676,25 3,26 1.163,27 0.782,28 4.248,29 27.676,30 64.949,31 64.949,32 0.298,33 1.126,34 14.998,35 13.537,36 -0.216,37 3.653,38 0.679,39 2.813,40 5.988,41 5.988,42 3.308,43 -0.176,44 -0.176,45 12.242,46 4.592,47 17.362,48 402.055,49 1.292,50 3.889,51 1.33,52 597.12,53 -0.168,54 1.099,55 3.268,56 172.06,57 1.199,58 41.551,59 2.03,60 2.03,61 174.15,62 10.815,63 112.096,64 1.44,65 1.44,66 1.683,67 10.254,68 16.75,69 3.451,70 41.325,71 10.815,72 3.987,73 1.122,74 17.317,75 17.317,76 17.317,77 17.317,78 17.317,79 17.7,80 1.418,81 0.241,82 0.241,83 11180,84 3.971,85 860,86 42.758,87 3.402,88 7.995,89 3.511,90 3.681,91 169.347,92 404.967,93 1.046,94 385,95 -0.475,96 -0.475,97 28.5,98 14.314,99 42.677,100 -1.22,101 -1.22,102 1.434,103 13.797,104 13.797,105 13.797,106 13.797,107 13.797,108 7.686,109 1.228,110 3.762,111 3.299,112 41.257,113 409.67,114 94.534,115 3.603,116 3.766,117 4.887,118 3.268,119 1.19,120 0.19,121 4.818,122 19649,123 5.528,124 1.385,125 4.905,126 134,127 5.361,128 202.905,129 2.985,130 4.614,131 14.122,132 118.845,133 0.5,134 4,135 3.924,136 17.225,137 25,138 3.367,139 3.367,140 5.4}
{0 CHEMBL2006299,3 3.417,4 3.214,5 3.474,6 3.19,7 7.677,8 3.299,9 3.343,10 0.598,11 73.197,12 11.758,13 5.347,14 1.481,15 2.971,16 3.396,17 131.874,18 3.236,19 2.986,20 4.538,21 3.408,22 0.797,23 2.687,24 181.236,25 5,26 1.181,27 0.413,28 4.06,29 27.687,30 60.98,31 60.98,32 0.015,33 1.107,34 14.35,35 13.399,36 -0.779,37 3.348,38 0.935,39 2.441,40 4.748,41 4.748,42 3.282,43 -0.591,44 -0.591,45 11.758,46 4.536,47 16.779,48 333.985,49 1.171,50 3.719,51 1.515,52 492.62,53 -0.585,54 1.11,55 3.249,56 144.815,57 1.28,58 38.037,59 1.896,60 1.896,61 170.503,62 9.934,63 102.039,64 1.23,65 1.23,66 1.662,67 10.018,68 14.75,69 3.333,70 37.839,71 9.934,72 3.748,73 1.062,74 16.577,75 16.577,76 16.577,77 16.577,78 16.577,79 16.86,80 1.497,81 -0.867,82 -0.867,83 11412,84 3.913,85 832,86 39.267,87 3.42,88 7.827,89 3.345,90 3.777,91 172.744,92 413.256,93 0.987,94 322,95 -1.303,96 -1.303,97 29.012,98 13.09,99 38.665,100 -1.96,101 -1.96,102 1.583,103 12.776,104 12.776,105 12.776,106 12.776,107 12.776,108 7.584,109 1,110 3.719,111 3.327,112 37.749,113 344.108,114 93.59,115 3.417,116 3.573,117 4.792,118 3.227,119 1,121 4.686,122 19284,123 5.472,124 1.044,125 4.796,126 120,127 5.242,128 199.722,129 2.876,130 4.556,131 13.217,132 116.83,133 1,134 5,135 3.62,136 16.778,137 24,138 3.296,139 3.296,140 5.4}
{0 CHEMBL2006439,1 1,2 1,3 3.368,4 3.223,5 3.433,6 3.218,7 8.408,8 3.287,9 3.523,10 0.654,11 73.065,12 11.582,13 6.368,14 1.417,15 3.018,16 3.377,17 146.877,18 3.205,19 3.012,20 4.718,21 3.471,22 0.733,23 2.917,24 189.721,25 3,26 1.19,27 0.342,28 4.267,29 26.622,30 63.504,31 63.504,32 0.145,33 1.159,34 14.104,35 13.475,36 -0.75,37 3.83,38 0.222,39 2.554,40 5.198,41 5.198,42 3.365,43 -0.595,44 -0.595,45 11.293,46 4.483,47 16.622,48 345.905,49 1.376,50 3.705,51 1.513,52 531.27,53 -0.559,54 1.111,55 3.333,56 165.584,57 1.322,58 39.075,59 1.902,60 1.902,61 174.931,62 10.536,63 100.042,64 1.455,65 1.455,66 1.659,67 9.606,68 15.75,69 3.645,70 38.73,71 10.128,72 4.554,73 1.146,74 15.947,75 15.947,76 15.947,77 15.947,78 15.947,79 16.397,80 1.441,81 -1.011,82 -1.011,83 8708,84 3.892,85 697,86 39.02,87 3.403,88 7.75,89 3.513,90 3.617,91 166.079,92 396.993,93 1.153,94 341,95 -1.573,96 -1.573,97 28.216,98 13.707,99 39.279,100 -1.924,101 -1.924,102 1.175,103 12.909,104 12.909,105 12.909,106 12.909,107 12.909,108 7.978,109 1,110 3.76,111 3.352,112 38.957,113 360.073,114 93.388,115 3.639,116 3.675,117 4.779,118 3.189,119 1.095,120 0.095,121 4.634,122 14170,123 5,124 0.948,125 4.828,126 124,127 5.283,128 192.15,129 2.774,130 4.496,131 14.073,132 106.676,133 0.75,134 7,135 3.639,136 16.148,137 23,138 3.296,139 3.296,140 5.5}
{0 CHEMBL2006450,3 3.397,4 3.233,5 3.458,6 3.227,7 7.948,8 3.403,9 3.371,10 0.649,11 72.492,12 11.458,13 5.705,14 1.545,15 3.149,16 3.34,17 152.838,18 3.341,19 3.154,20 4.631,21 3.436,22 0.723,23 2.916,24 180.62,25 5,26 1.307,27 0.236,28 4.753,29 26.316,30 65.903,31 65.903,32 0.203,33 1.139,34 13.665,35 13.522,36 -0.872,37 3.833,38 0.349,39 2.247,40 4.979,41 4.979,42 3.26,43 -0.668,44 -0.668,45 11.169,46 4.458,47 16.112,48 349.006,49 1.225,50 3.719,51 1.523,52 531.09,53 -0.61,54 1.244,55 3.34,56 155.913,57 1.346,58 36.912,59 1.846,60 1.846,61 190.122,62 10.279,63 104.042,64 1.443,65 1.443,66 1.659,67 9.543,68 15,69 3.563,70 36.74,71 9.871,72 3.775,73 1.124,74 15.662,75 15.662,76 15.662,77 15.662,78 15.662,79 16.024,80 1.552,81 -1.039,82 -1.039,83 9206,84 3.87,85 735,86 37.816,87 3.363,88 7.744,89 3.409,90 3.531,91 167.747,92 401.063,93 1.01,94 343,95 -1.717,96 -1.717,97 27.665,98 12.978,99 38.091,100 -1.806,101 -1.806,102 1.181,103 12.357,104 12.357,105 12.357,106 12.357,107 12.357,108 7.52,109 0.741,110 3.685,111 3.374,112 36.929,113 363.544,114 91.01,115 3.51,116 3.621,117 4.762,118 3.188,119 1.133,120 0.133,121 4.535,122 15438,123 5.167,124 0.947,125 4.779,126 118,127 5.231,128 202.122,129 2.753,130 4.49,131 12.971,132 107.374,133 0.667,134 5,135 3.545,136 16.734,137 23,138 3.258,139 3.258,140 5.4}
{0 CHEMBL2006493,3 3.117,4 2.901,5 3.146,6 2.881,7 6.079,8 3.123,9 2.188,11 60.477,12 8.165,13 4.715,14 1.24,15 2.843,16 3.143,17 107.107,18 3.08,19 2.875,20 4.878,21 3.29,23 2.606,24 160.97,26 0.952,27 -0.3,28 4.185,29 20.455,30 49.539,31 49.539,32 -0.045,33 0.818,34 11.718,35 10.212,36 -1,37 3.193,38 0.51,39 2.176,40 5.229,41 5.229,42 2.304,43 -1,44 -1,45 9.376,46 4.203,47 13.239,48 399.545,49 1.04,50 3.192,51 1.147,52 582.49,53 -0.726,54 0.912,55 2.658,56 154.446,57 0.991,58 34.872,59 1.837,60 1.837,61 121.372,62 7.683,63 81.684,64 1.353,65 1.353,66 1.622,67 7.133,68 12.75,69 3.168,70 33.912,71 9.64,72 3.379,73 0.857,74 12.834,75 12.834,76 12.834,77 12.834,78 12.834,79 13.137,80 1.191,81 -3,82 -3,83 6999,84 3.73,85 380,86 35.497,87 3.1,88 7.358,89 2.772,90 3.038,91 120.902,92 286.761,93 0.798,94 357,95 -3,96 -3,97 19.744,98 11.395,99 35.643,100 -3.244,101 -3.244,102 0.617,103 10.83,104 10.83,105 10.83,106 10.83,107 10.83,108 5.947,109 0.577,110 3.551,111 3.046,112 34.108,113 379.201,114 65.454,115 2.715,116 2.992,117 4.677,118 3.06,119 1.286,120 0.286,121 3.351,122 14450,123 4.139,124 0.177,125 4.727,126 112,127 5.198,128 130.127,129 2.847,130 4.296,131 11.344,132 85.99,133 0.333,134 8,135 4.13,136 11.991,137 20,138 3.135,139 3.135,140 5.4}
{0 CHEMBL2006564,1 3,2 1,3 3.612,4 3.423,5 3.67,6 3.409,7 8.766,8 3.409,9 3.461,10 0.799,11 79.468,12 12.635,13 6.351,14 1.573,15 3.12,16 3.448,17 179.841,18 3.329,19 3.108,20 5.112,21 3.545,22 1.026,23 3.212,24 218.949,25 6,26 1.326,27 0.751,28 4.757,29 29.552,30 74.117,31 74.117,32 0.394,33 1.429,34 15.754,35 14.783,36 -0.241,37 3.638,38 0.471,39 2.887,40 6.121,41 6.121,42 3.385,43 -0.206,44 -0.206,45 12.635,46 4.637,47 18.402,48 418.453,49 1.457,50 3.928,51 1.513,52 617.26,53 -0.197,54 1.249,55 3.34,56 182.76,57 1.254,58 43.658,59 2.133,60 2.133,61 223.556,62 11.464,63 116.211,64 1.783,65 1.783,66 1.689,67 10.326,68 18.5,69 3.427,70 43.168,71 11.464,72 4.047,73 1.376,74 17.765,75 17.765,76 17.765,77 17.765,78 17.765,79 18.233,80 1.606,81 0.293,82 0.293,83 12930,84 3.991,85 972,86 43.988,87 3.447,88 8.085,89 3.492,90 3.898,91 181.996,92 435.831,93 1.193,94 397,95 -0.423,96 -0.423,97 30.824,98 15.031,99 44.829,100 -1.331,101 -1.331,102 1.412,103 14.271,104 14.271,105 14.271,106 14.271,107 14.271,108 8.628,109 1,110 3.746,111 3.519,112 43.096,113 419.556,114 99.02,115 3.598,116 3.818,117 4.905,118 3.304,119 1.111,120 0.111,121 4.813,122 21365,123 5.694,124 1.384,125 4.949,126 140,127 5.407,128 227.556,129 3.081,130 4.672,131 15.161,132 128.049,133 0.75,134 9,135 4.076,136 18.096,137 26,138 3.401,139 3.401,140 6.3}
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{0 CHEMBL2007064,3 3.439,4 3.297,5 3.468,6 3.282,7 7.494,8 3.296,9 3.446,10 0.474,11 68.364,12 10.969,13 5.719,14 1.573,15 3.023,16 3.357,17 156.831,18 3.202,19 3.001,20 4.766,21 3.375,22 0.55,23 2.911,24 184.758,25 4,26 1.34,27 0.144,28 4.54,29 26.402,30 62.787,31 62.787,32 0.216,33 1.197,34 13.215,35 13.065,36 -1.115,37 3.699,38 0.527,39 2.311,40 5.144,41 5.144,42 3.301,43 -0.843,44 -0.843,45 10.969,46 4.428,47 15.983,48 345.81,49 1.272,50 3.814,51 1.544,52 512.41,53 -0.832,54 1.298,55 3.064,56 153.981,57 1.366,58 38.541,59 1.975,60 1.975,61 186.15,62 10.288,63 104.042,64 1.579,65 1.579,66 1.659,67 8.785,68 14.25,69 3.372,70 37.833,71 10.288,72 4.219,73 1.215,74 15.137,75 15.137,76 15.137,77 15.137,78 15.137,79 15.232,80 1.556,81 -1.422,82 -1.422,83 9156,84 3.863,85 696,86 39.759,87 3.375,88 7.747,89 3.514,90 3.44,91 163.411,92 390.482,93 1.013,94 331,95 -2,96 -2,97 27.466,98 12.454,99 39.985,100 -2.127,101 -2.127,102 1.022,103 12.311,104 12.311,105 12.311,106 12.311,107 12.311,108 7.417,109 0.921,110 3.73,111 3.371,112 37.838,113 351.618,114 88.378,115 3.593,116 3.721,117 4.794,118 3.189,119 1.143,120 0.143,121 4.166,122 15846,123 5,124 0.806,125 4.812,126 122,127 5.273,128 204.15,129 2.975,130 4.493,131 13.179,132 106.838,133 0.667,134 3,135 3.658,136 16.56,137 23,138 3.258,139 3.258,140 5.5}
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{0 CHEMBL2007151,1 2,3 3.815,4 3.721,5 3.849,6 3.716,7 13.31,8 3.755,9 4.383,10 2,11 109.3,12 17.687,13 10.295,14 1.751,15 3.558,16 3.868,17 245.332,18 3.69,19 3.546,20 5.446,21 3.86,22 2.258,23 3.192,24 368.005,25 6,26 1.577,27 2,28 4.568,29 43.724,30 98.291,31 98.291,32 1.055,33 1.616,34 22.389,35 21.067,36 1.189,37 4.263,38 1.254,39 3.492,40 7.158,41 7.158,42 4.253,43 1,44 1,45 17.687,46 5.125,47 26.659,48 487.567,49 1.746,50 4.619,51 1.813,52 735.06,53 1,54 1.507,55 4.083,56 253.812,57 1.692,58 61.869,59 2.51,60 2.51,61 324.328,62 15.757,63 174.117,64 2.019,65 2.019,66 1.777,67 14.856,68 23.75,69 4.184,70 61.825,71 15.757,72 8.117,73 1.592,74 25.051,75 25.051,76 25.051,77 25.051,78 25.051,79 25.532,80 1.793,81 2.365,82 2.365,83 26791,84 4.335,85 2634,86 62.184,87 3.908,88 9.044,89 4.329,90 4.681,91 262.874,92 633.173,93 1.557,94 470,95 2.275,96 2.275,97 46.904,98 21.079,99 62.959,100 2.136,101 2.136,102 2.655,103 20.276,104 20.276,105 20.276,106 20.276,107 20.276,108 13.181,109 1.626,110 4.275,111 3.749,112 61.86,113 496.237,114 146.706,115 4.471,116 4.589,117 5.223,118 3.616,119 1.063,120 0.063,121 7.062,122 40923,123 7.833,124 2.5,125 5.293,126 198,127 5.753,128 365.877,129 3.493,130 5.132,131 23.052,132 195.33,133 0.833,134 11,135 5.749,136 24.485,137 36,138 3.738,139 3.738,140 5.4}
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{0 CHEMBL2204093,1 3,3 3.731,4 3.615,5 3.733,6 3.658,7 12.393,8 3.592,9 4.253,10 1.926,11 116.85,12 16.596,13 9.993,14 1.667,15 3.45,16 3.73,17 209.112,18 3.589,19 3.449,20 6.232,21 3.988,22 2.499,23 3.508,24 371.338,25 6,26 1.483,27 1.967,28 4.562,29 38.222,30 102.803,31 102.803,32 1.323,33 1.297,34 20.41,35 19.852,36 1.401,37 4.561,38 1.461,39 3.492,40 9.14,41 9.14,42 4.215,43 0.998,44 0.998,45 16.913,46 5.051,47 24.085,48 661.585,49 1.546,50 4.346,51 1.597,52 1017.92,53 0.954,54 1.479,55 4.444,56 300.347,57 1.643,58 60.878,59 2.646,60 2.646,61 250.901,62 16.414,63 171.362,64 2.121,65 2.121,66 1.784,67 13.141,68 23,69 4.567,70 59.98,71 16.984,72 6.66,73 1.355,74 23.228,75 23.228,76 23.228,77 23.228,78 23.228,79 23.993,80 1.67,81 2.275,82 2.275,83 31817,84 4.301,85 2416,86 63.507,87 3.736,88 9.088,89 4.388,90 4.18,91 234.172,92 563.14,93 1.234,94 635,95 2.136,96 2.136,97 38.358,98 20.403,99 62.551,100 1.516,101 1.516,102 2.5,103 19.159,104 19.159,105 19.159,106 19.159,107 19.159,108 10.457,109 1.884,110 4.107,111 3.754,112 60.297,113 682.408,114 126.848,115 4.384,116 4.409,117 5.276,118 3.617,119 1.091,120 0.091,121 6.129,122 64747,123 7.639,124 2.5,125 5.283,126 196,127 5.753,128 280.955,129 3.62,130 5.136,131 20.04,132 191.146,133 0.75,134 14,135 7.22,136 24,137 36,138 3.689,139 3.689,140 6.658}
{0 CHEMBL2204094,1 2,3 3.669,4 3.536,5 3.698,6 3.514,7 11.429,8 3.621,9 4.278,10 2.393,11 116.069,12 16.939,13 8.237,14 1.731,15 3.347,16 3.766,17 238.267,18 3.573,19 3.363,20 6.028,21 3.888,22 2.499,23 3.49,24 390.877,25 8,26 1.504,27 2,28 4.789,29 40.583,30 106.805,31 106.805,32 1.461,33 1.37,34 22.639,35 20.081,36 1.402,37 4.598,38 1.6,39 3.493,40 8.578,41 8.578,42 4.247,43 1,44 1,45 18.15,46 5.15,47 25.404,48 664.702,49 1.563,50 4.401,51 1.666,52 981.86,53 1,54 1.446,55 4.374,56 267.226,57 1.561,58 62.529,59 2.633,60 2.633,61 287.34,62 14.843,63 186.666,64 2.105,65 2.105,66 1.795,67 14.777,68 24.5,69 4.576,70 61.503,71 16.801,72 5.793,73 1.421,74 25.247,75 25.247,76 25.247,77 25.247,78 25.247,79 25.849,80 1.703,81 2.275,82 2.275,83 37175,84 4.357,85 2916,86 64.555,87 3.74,88 9.225,89 4.444,90 4.422,91 246.093,92 592.226,93 1.249,94 611,95 2.238,96 2.238,97 40.477,98 21.038,99 65.041,100 2.136,101 2.136,102 2.5,103 20.111,104 20.111,105 20.111,106 20.111,107 20.111,108 11.191,109 1.87,110 4.129,111 3.642,112 61.659,113 652.132,114 132.863,115 4.441,116 4.483,117 5.27,118 3.668,119 1.091,120 0.091,121 6.864,122 73080,123 8.417,124 2.5,125 5.303,126 200,127 5.765,128 317.394,129 3.605,130 5.209,131 20.602,132 207.055,133 0.75,134 12,135 7.172,136 24.949,137 38,138 3.738,139 3.738,140 6.754}
{0 CHEMBL2204095,1 4,3 3.706,4 3.569,5 3.728,6 3.574,7 12.236,8 3.582,9 4.249,10 1.49,11 108.955,12 16.202,13 9.901,14 1.682,15 3.395,16 3.681,17 206.475,18 3.565,19 3.387,20 5.436,21 3.935,22 1.897,23 3.306,24 327.754,25 6,26 1.473,27 1.57,28 4.565,29 37.003,30 102.029,31 102.029,32 1.146,33 1.429,34 19.518,35 19.14,36 0.686,37 4.464,38 1.324,39 3.414,40 7.042,41 7.042,42 4.12,43 0.577,44 0.577,45 15.702,46 4.943,47 22.916,48 545.495,49 1.521,50 4.382,51 1.595,52 842.95,53 0.565,54 1.45,55 4.134,56 275.879,57 1.607,58 55.064,59 2.423,60 2.423,61 260.21,62 15.78,63 156.465,64 1.961,65 1.961,66 1.762,67 12.5,68 21.75,69 4.347,70 54.638,71 15.027,72 7.107,73 1.376,74 21.756,75 21.756,76 21.756,77 21.756,78 21.756,79 22.292,80 1.679,81 2.136,82 2.136,83 23286,84 4.221,85 1915,86 58.408,87 3.7,88 8.834,89 4.297,90 4.035,91 228.167,92 548.488,93 1.227,94 537,95 1.566,96 1.566,97 38.25,98 18.461,99 57.516,100 0.481,101 0.481,102 2.5,103 17.684,104 17.684,105 17.684,106 17.684,107 17.684,108 10.346,109 1.667,110 4.065,111 3.666,112 54.744,113 576.561,114 123.049,115 4.354,116 4.398,117 5.153,118 3.533,119 1.091,120 0.091,121 5.841,122 43659,123 7.139,124 2,125 5.187,126 178,127 5.652,128 288.21,129 3.362,130 5.012,131 19.2,132 170.449,133 0.75,134 5,135 5.749,136 23.13,137 33,138 3.611,139 3.611,140 6.295}
{0 CHEMBL2204096,1 2,3 3.706,4 3.569,5 3.729,6 3.575,7 12.58,8 3.582,9 4.286,10 1.49,11 108.402,12 16.202,13 10.611,14 1.683,15 3.409,16 3.706,17 212.276,18 3.567,19 3.392,20 5.436,21 3.921,22 1.897,23 3.306,24 327.754,25 6,26 1.474,27 1.571,28 4.75,29 37.509,30 100.018,31 100.018,32 1.154,33 1.429,34 19.518,35 19.27,36 0.686,37 4.461,38 1.325,39 3.414,40 7.042,41 7.042,42 4.151,43 0.577,44 0.577,45 15.702,46 4.943,47 23.075,48 525.871,49 1.523,50 4.395,51 1.601,52 810.11,53 0.565,54 1.454,55 4.125,56 271.49,57 1.608,58 55.064,59 2.423,60 2.423,61 275.498,62 15.78,63 156.465,64 1.961,65 1.961,66 1.762,67 12.5,68 21.25,69 4.34,70 54.638,71 15.027,72 7.826,73 1.376,74 21.756,75 21.756,76 21.756,77 21.756,78 21.756,79 22.39,80 1.679,81 2.136,82 2.136,83 22862,84 4.221,85 1915,86 59.197,87 3.742,88 8.834,89 4.316,90 4.035,91 230.965,92 555.316,93 1.23,94 517,95 1.566,96 1.566,97 39.006,98 18.637,99 57.516,100 0.481,101 0.481,102 2.5,103 17.684,104 17.684,105 17.684,106 17.684,107 17.684,108 10.621,109 1.681,110 4.102,111 3.669,112 54.817,113 555.586,114 123.855,115 4.379,116 4.415,117 5.153,118 3.533,119 1.091,120 0.091,121 5.841,122 42101,123 7.139,124 2,125 5.187,126 178,127 5.652,128 295.498,129 3.364,130 5.012,131 19.626,132 170.449,133 0.75,134 5,135 5.787,136 23.13,137 33,138 3.611,139 3.611,140 6.854}
{0 CHEMBL2204097,1 1,3 3.604,4 3.452,5 3.617,6 3.432,7 9.409,8 3.37,9 4.068,10 1.278,11 89.828,12 13.703,13 6.869,14 1.537,15 3.046,16 3.556,17 178.087,18 3.339,19 3.089,20 5.28,21 3.647,22 1.488,23 3.131,24 277.107,25 5,26 1.23,27 1.196,28 4.494,29 32.553,30 81.847,31 81.847,32 1.096,33 1.265,34 17.952,35 16.06,36 0.327,37 4.382,38 1.256,39 3.247,40 6.465,41 6.465,42 3.935,43 0.286,44 0.286,45 14.097,46 4.788,47 20.236,48 464.126,49 1.376,50 4.247,51 1.566,52 684.69,53 0.257,54 1.183,55 3.778,56 204.427,57 1.506,58 48.256,59 2.272,60 2.272,61 224.683,62 11.813,63 132.881,64 1.751,65 1.751,66 1.734,67 11.783,68 19.25,69 4.221,70 47.724,71 12.447,72 5.107,73 1.268,74 19.836,75 19.836,76 19.836,77 19.836,78 19.836,79 20.385,80 1.54,81 1.47,82 1.47,83 14924,84 4.105,85 1285,86 50.645,87 3.549,88 8.488,89 4.197,90 3.787,91 196.654,92 471.595,93 1.153,94 433,95 0.474,96 0.474,97 33.381,98 16.492,99 50.439,100 -0.27,101 -0.27,102 2,103 15.744,104 15.744,105 15.744,106 15.744,107 15.744,108 9.22,109 1.461,110 3.929,111 3.545,112 47.761,113 461.853,114 107.432,115 4.241,116 4.3,117 4.99,118 3.41,119 1.091,120 0.091,121 5.538,122 26615,123 6.472,124 1.878,125 5.043,126 154,127 5.501,128 244.683,129 3.24,130 4.828,131 16.652,132 141.699,133 0.75,134 5,135 4.77,136 19.51,137 29,138 3.497,139 3.497,140 6.046}
{0 CHEMBL2204098,1 2,3 3.687,4 3.557,5 3.703,6 3.561,7 12.08,8 3.565,9 4.245,10 1.486,11 105.402,12 15.702,13 10.281,14 1.67,15 3.379,16 3.668,17 203.371,18 3.547,19 3.359,20 5.457,21 3.898,22 1.694,23 3.311,24 317.256,25 6,26 1.412,27 1.5,28 4.795,29 35.982,30 96.281,31 96.281,32 1.147,33 1.463,34 18.811,35 18.563,36 0.597,37 4.467,38 1.325,39 3.282,40 7.172,41 7.172,42 4.129,43 0.502,44 0.502,45 15.202,46 4.896,47 22.258,48 521.871,49 1.516,50 4.346,51 1.622,52 805.12,53 0.494,54 1.357,55 4.217,56 267.935,57 1.6,58 53.761,59 2.421,60 2.421,61 263.71,62 15.438,63 154,64 1.961,65 1.961,66 1.756,67 12.057,68 20.75,69 4.399,70 53.483,71 14.685,72 7.434,73 1.445,74 21.049,75 21.049,76 21.049,77 21.049,78 21.049,79 21.676,80 1.651,81 1.725,82 1.725,83 20751,84 4.19,85 1706,86 57.62,87 3.7,88 8.758,89 4.294,90 3.94,91 221.373,92 531.91,93 1.27,94 513,95 1.37,96 1.37,97 37.244,98 18.145,99 56.183,100 0.466,101 0.466,102 2.495,103 17.201,104 17.201,105 17.201,106 17.201,107 17.201,108 10.121,109 1.675,110 4.066,111 3.662,112 53.662,113 551.783,114 118.99,115 4.354,116 4.39,117 5.136,118 3.504,119 1.095,120 0.095,121 5.646,122 38571,123 6.889,124 1.874,125 5.165,126 174,127 5.631,128 287.71,129 3.358,130 4.969,131 18.959,132 162.767,133 0.75,134 5,135 5.668,136 22.423,137 32,138 3.584,139 3.584,140 5.883}
{0 CHEMBL2204099,1 2,3 3.687,4 3.557,5 3.703,6 3.561,7 12.08,8 3.565,9 4.245,10 1.486,11 105.402,12 15.702,13 10.281,14 1.67,15 3.379,16 3.668,17 203.371,18 3.547,19 3.359,20 5.457,21 3.898,22 1.694,23 3.311,24 317.256,25 6,26 1.412,27 1.5,28 4.795,29 35.982,30 96.281,31 96.281,32 1.147,33 1.463,34 18.811,35 18.563,36 0.597,37 4.467,38 1.325,39 3.282,40 7.172,41 7.172,42 4.129,43 0.502,44 0.502,45 15.202,46 4.896,47 22.258,48 521.871,49 1.516,50 4.346,51 1.622,52 805.12,53 0.494,54 1.357,55 4.217,56 267.935,57 1.6,58 53.761,59 2.421,60 2.421,61 263.71,62 15.438,63 154,64 1.961,65 1.961,66 1.756,67 12.057,68 20.75,69 4.399,70 53.483,71 14.685,72 7.434,73 1.445,74 21.049,75 21.049,76 21.049,77 21.049,78 21.049,79 21.676,80 1.651,81 1.725,82 1.725,83 20751,84 4.19,85 1706,86 57.62,87 3.7,88 8.758,89 4.294,90 3.94,91 221.373,92 531.91,93 1.27,94 513,95 1.37,96 1.37,97 37.244,98 18.145,99 56.183,100 0.466,101 0.466,102 2.495,103 17.201,104 17.201,105 17.201,106 17.201,107 17.201,108 10.121,109 1.675,110 4.066,111 3.662,112 53.662,113 551.783,114 118.99,115 4.354,116 4.39,117 5.136,118 3.504,119 1.095,120 0.095,121 5.646,122 38571,123 6.889,124 1.874,125 5.165,126 174,127 5.631,128 287.71,129 3.358,130 4.969,131 18.959,132 162.767,133 0.75,134 5,135 5.668,136 22.423,137 32,138 3.584,139 3.584,140 6.272}
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{0 CHEMBL2204101,1 3,3 3.719,4 3.573,5 3.742,6 3.572,7 13.078,8 3.603,9 4.347,10 1.895,11 117.462,12 16.596,13 11.015,14 1.689,15 3.417,16 3.744,17 232.869,18 3.583,19 3.4,20 6.232,21 4.005,22 2,23 3.419,24 371.338,25 6,26 1.48,27 1.967,28 4.829,29 39.297,30 113.216,31 113.216,32 1.323,33 1.429,34 21.081,35 20.396,36 1,37 4.583,38 1.461,39 3.492,40 9.14,41 9.14,42 4.29,43 0.998,44 0.998,45 16.913,46 5.051,47 24.547,48 635.355,49 1.554,50 4.399,51 1.601,52 972.46,53 0.954,54 1.459,55 4.474,56 303.011,57 1.605,58 60.695,59 2.646,60 2.646,61 289.742,62 16.414,63 171.362,64 2.121,65 2.121,66 1.784,67 13.141,68 23.75,69 4.592,70 59.98,71 16.984,72 8.003,73 1.379,74 23.228,75 23.228,76 23.228,77 23.228,78 23.228,79 24.1,80 1.687,81 2.275,82 2.275,83 30901,84 4.301,85 2416,86 63.47,87 3.754,88 9.088,89 4.431,90 4.18,91 240.156,92 577.741,93 1.238,94 605,95 2.136,96 2.136,97 39.887,98 20.575,99 62.551,100 1.516,101 1.516,102 2.5,103 19.159,104 19.159,105 19.159,106 19.159,107 19.159,108 11.053,109 1.895,110 4.142,111 3.693,112 60.306,113 650.955,114 127.397,115 4.434,116 4.446,117 5.236,118 3.617,119 1.091,120 0.091,121 6.129,122 60950,123 7.639,124 2.498,125 5.283,126 196,127 5.753,128 305.394,129 3.61,130 5.136,131 20.792,132 191.146,133 0.75,134 7,135 7.216,136 24,137 36,138 3.689,139 3.689,140 6.538}
{0 CHEMBL2204102,1 4,3 3.253,4 3.054,5 3.314,6 3.049,7 6.538,8 3.113,9 2.807,10 0.483,11 60.61,12 9.736,13 4.52,14 1.227,15 2.901,16 3.205,17 100.305,18 3.094,19 2.924,20 4.116,21 3.252,22 0.5,23 2.587,24 160.368,25 2,26 1.006,27 0.009,28 3.568,29 22.633,30 51.671,31 51.671,32 -0.551,33 0.99,34 12.125,35 11.114,36 -1.451,37 3.364,38 -0.344,39 2,40 3.267,41 3.267,42 2.497,43 -1,44 -1,45 9.736,46 4.248,47 13.931,48 318.019,49 1.062,50 3.704,51 1.193,52 477.52,53 -1,54 0.975,55 1.91,56 140.312,57 1.145,58 33.552,59 1.498,60 1.498,61 121.325,62 8.378,63 82.439,64 1.134,65 1.134,66 1.629,67 8.098,68 13,69 2.825,70 32.898,71 8.378,72 3.373,73 0.956,74 13.751,75 13.751,76 13.751,77 13.751,78 13.751,79 13.95,80 1.2,81 -1.991,82 -1.991,83 5295,84 3.737,85 450,86 34.907,87 3.218,88 7.397,89 3.204,90 3.077,91 140.23,92 333.92,93 0.886,94 303,95 -2.347,96 -2.347,97 23.489,98 11.034,99 35.225,100 -2.414,101 -2.414,102 0.843,103 10.767,104 10.767,105 10.767,106 10.767,107 10.767,108 6.462,109 0.71,110 3.561,111 3.115,112 32.937,113 320.235,114 75.817,115 3.411,116 3.653,117 4.663,118 3.061,119 1.125,120 0.125,121 3.7,122 8636,123 4.528,124 0.625,125 4.673,126 106,127 5.13,128 143.099,129 2.497,130 4.295,131 11.37,132 85.021,133 0.667,134 15,135 3.211,136 14.113,137 20,138 3.135,139 3.135,140 4.699}
{0 CHEMBL2204103,1 4,3 3.499,4 3.321,5 3.54,6 3.288,7 8.095,8 3.175,9 3.658,10 0.843,11 75.716,12 12.254,13 5.848,14 1.284,15 2.949,16 3.44,17 107.054,18 3.132,19 2.962,20 5.106,21 3.466,22 0.935,23 2.89,24 221.44,25 3,26 1.073,27 0.582,28 3.259,29 28.16,30 59.421,31 59.421,32 0.704,33 1.107,34 14.934,35 13.501,36 -0.523,37 3.852,38 1,39 3.082,40 5.72,41 5.72,42 3.504,43 -0.42,44 -0.42,45 12.254,46 4.592,47 17.534,48 384.019,49 1.183,50 3.94,51 1.264,52 578.2,53 -0.418,54 1.021,55 3.233,56 172.645,57 1.364,58 42.715,59 2.013,60 2.013,61 133.602,62 10.709,63 105.342,64 1.434,65 1.434,66 1.69,67 10.423,68 16,69 3.592,70 41.992,71 10.709,72 4.241,73 1.062,74 17.311,75 17.311,76 17.311,77 17.311,78 17.311,79 17.467,80 1.279,81 0.489,82 0.489,83 10028,84 3.968,85 806,86 44.159,87 3.458,88 8.031,89 3.756,90 3.618,91 172.016,92 411.478,93 0.986,94 369,95 -1.02,96 -1.02,97 29.25,98 14.082,99 43.45,100 -1.419,101 -1.419,102 1.957,103 13.84,104 13.84,105 13.84,106 13.84,107 13.84,108 8.019,109 1.295,110 3.803,111 3.439,112 42.059,113 390.82,114 95.681,115 3.862,116 3.955,117 4.909,118 3.269,119 1.091,120 0.091,121 4.964,122 16835,123 5.528,124 1.639,125 4.905,126 134,127 5.361,128 174.15,129 3.013,130 4.614,131 14.52,132 117.047,133 0.75,134 17,135 4.053,136 17.225,137 25,138 3.367,139 3.367,140 5.032}
{0 CHEMBL2204104,1 4,3 3.506,4 3.335,5 3.539,6 3.304,7 8.572,8 3.175,9 3.733,10 0.934,11 81.255,12 12.937,13 6.428,14 1.283,15 2.951,16 3.466,17 117.448,18 3.132,19 2.962,20 5.156,21 3.552,22 1.122,23 2.9,24 234.66,25 3,26 1.072,27 0.668,28 3.66,29 28.988,30 64.818,31 64.818,32 0.711,33 1.107,34 15.357,35 14.557,36 -0.278,37 4.156,38 1,39 3.162,40 6.029,41 6.029,42 3.577,43 -0.225,44 -0.225,45 12.648,46 4.637,47 18.094,48 410.882,49 1.164,50 3.989,51 1.252,52 631.78,53 -0.163,54 1.021,55 3.467,56 189.404,57 1.365,58 44.419,59 2.093,60 2.093,61 150.044,62 11.751,63 114.211,64 1.46,65 1.46,66 1.701,67 10.562,68 16.75,69 3.816,70 43.617,71 11.343,72 4.531,73 1.062,74 17.759,75 17.759,76 17.759,77 17.759,78 17.759,79 18.05,80 1.277,81 0.511,82 0.511,83 11767,84 4.003,85 924,86 46.04,87 3.485,88 8.147,89 3.822,90 3.663,91 180.349,92 431.811,93 0.978,94 403,95 -0.544,96 -0.544,97 30.108,98 14.832,99 45.328,100 -1.102,101 -1.102,102 1.973,103 14.323,104 14.323,105 14.323,106 14.323,107 14.323,108 8.149,109 1.323,110 3.839,111 3.6,112 43.903,113 427.469,114 100.486,115 3.928,116 4.012,117 4.945,118 3.306,119 1.091,120 0.091,121 5.049,122 20984,123 5.694,124 1.645,125 4.949,126 140,127 5.407,128 188.15,129 3.06,130 4.67,131 14.998,132 123.377,133 0.75,134 18,135 4.234,136 18.596,137 26,138 3.401,139 3.401,140 5.42}
{0 CHEMBL2204105,1 1,3 3.612,4 3.509,5 3.62,6 3.501,7 9.525,8 3.369,9 4.088,10 1.331,11 90.525,12 14.385,13 7.079,14 1.526,15 3.066,16 3.583,17 149.245,18 3.339,19 3.104,20 5.28,21 3.645,22 1.492,23 3.153,24 277.107,25 5,26 1.239,27 1.197,28 3.972,29 32.735,30 71.213,31 71.213,32 1,33 1.148,34 17.201,35 16.519,36 0.327,37 4.44,38 1.038,39 3.247,40 6.465,41 6.465,42 3.923,43 0.286,44 0.286,45 14.097,46 4.788,47 20.178,48 447.906,49 1.25,50 4.273,51 1.57,52 688.27,53 0.257,54 1.195,55 3.796,56 205.843,57 1.542,58 48.366,59 2.272,60 2.272,61 186.695,62 12.855,63 132.881,64 1.751,65 1.751,66 1.734,67 11.783,68 18,69 4.283,70 47.724,71 12.447,72 5.081,73 1.162,74 19.836,75 19.836,76 19.836,77 19.836,78 19.836,79 20.192,80 1.539,81 1.47,82 1.47,83 14861,84 4.105,85 1285,86 50.567,87 3.605,88 8.488,89 4.208,90 3.787,91 203.4,92 488.056,93 1.051,94 439,95 0.474,96 0.474,97 34.08,98 16.241,99 50.439,100 -0.27,101 -0.27,102 2.5,103 15.744,104 15.744,105 15.744,106 15.744,107 15.744,108 9.085,109 1.46,110 3.948,111 3.655,112 47.878,113 467.256,114 114.14,115 4.291,116 4.353,117 5.04,118 3.41,119 1.091,120 0.091,121 5.538,122 26348,123 6.472,124 1.916,125 5.043,126 154,127 5.501,128 224.801,129 3.224,130 4.828,131 16.549,132 141.699,133 0.75,134 9,135 4.666,136 20.88,137 29,138 3.497,139 3.497,140 6.018}
{0 CHEMBL2204106,1 2,3 3.719,4 3.603,5 3.724,6 3.65,7 12.16,8 3.58,9 4.251,10 1.542,11 113.261,12 17.372,13 9.832,14 1.684,15 3.441,16 3.719,17 201.936,18 3.571,19 3.43,20 5.441,21 3.963,22 1.93,23 3.339,24 340.101,25 7,26 1.465,27 1.586,28 4.558,29 37.899,30 96.03,31 96.03,32 1.108,33 1.357,34 19.808,35 19.982,36 0.721,37 4.538,38 1.324,39 3.414,40 7.058,41 7.058,42 4.109,43 0.589,44 0.589,45 16.262,46 4.989,47 23.386,48 554.165,49 1.515,50 4.404,51 1.641,52 892.95,53 0.574,54 1.458,55 4.18,56 286.898,57 1.626,58 55.966,59 2.43,60 2.43,61 250.691,62 16.786,63 162.974,64 1.964,65 1.964,66 1.768,67 12.954,68 21.25,69 4.425,70 55.655,71 15.003,72 7.171,73 1.315,74 22.679,75 22.679,76 22.679,77 22.679,78 22.679,79 23.187,80 1.67,81 2.136,82 2.136,83 25859,84 4.25,85 2104,86 59.312,87 3.751,88 8.915,89 4.316,90 4.111,91 238.91,92 574.701,93 1.231,94 569,95 1.574,96 1.574,97 39.403,98 18.835,99 59.562,100 0.532,101 0.532,102 2.5,103 18.061,104 18.061,105 18.061,106 18.061,107 18.061,108 10.316,109 1.632,110 4.095,111 3.762,112 55.808,113 608.439,114 131.195,115 4.403,116 4.466,117 5.212,118 3.561,119 1.091,120 0.091,121 5.94,122 49133,123 7.514,124 2.5,125 5.209,126 182,127 5.673,128 285.71,129 3.424,130 5.055,131 19.351,132 177.797,133 0.75,134 13,135 5.853,136 25.207,137 34,138 3.638,139 3.638,140 6.77}
{0 CHEMBL2204107,1 1,3 3.641,4 3.531,5 3.678,6 3.521,7 11.2,8 3.598,9 4.247,10 1.922,11 105.612,12 16.728,13 8.15,14 1.707,15 3.347,16 3.724,17 204.461,18 3.551,19 3.351,20 5.423,21 3.793,22 2.084,23 3.324,24 336.043,25 7,26 1.513,27 1.876,28 4.604,29 38.524,30 90.051,31 90.051,32 1.324,33 1.341,34 20.369,35 19.557,36 0.991,37 4.529,38 1.461,39 3.414,40 6.93,41 6.93,42 4.106,43 0.87,44 0.87,45 16.439,46 5.006,47 23.554,48 525.233,49 1.532,50 4.422,51 1.668,52 800.99,53 0.867,54 1.445,55 4.032,56 237.335,57 1.564,58 55.846,59 2.358,60 2.358,61 262.436,62 14.898,63 160.219,64 1.951,65 1.951,66 1.768,67 13.612,68 21.25,69 4.385,70 55.041,71 14.49,72 5.791,73 1.351,74 23.068,75 23.068,76 23.068,77 23.068,78 23.068,79 23.5,80 1.692,81 2.136,82 2.136,83 24623,84 4.254,85 2156,86 58.829,87 3.744,88 8.909,89 4.338,90 4.181,91 240.04,92 577.458,93 1.249,94 511,95 1.653,96 1.653,97 40.063,98 18.688,99 58.746,100 1.293,101 1.293,102 2.5,103 18.137,104 18.137,105 18.137,106 18.137,107 18.137,108 10.726,109 1.632,110 4.088,111 3.677,112 55.174,113 543.76,114 132.365,115 4.429,116 4.494,117 5.173,118 3.561,119 1.091,120 0.091,121 6.282,122 43748,123 7.667,124 2.5,125 5.187,126 178,127 5.645,128 297.455,129 3.353,130 5.051,131 19.121,132 178.345,133 0.75,134 12,135 5.465,136 24.742,137 34,138 3.638,139 3.638,140 7.027}
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{0 CHEMBL2204110,1 4,3 3.808,4 3.69,5 3.846,6 3.705,7 13.925,8 3.655,9 4.343,10 2.5,11 125.857,12 19.096,13 11.374,14 1.731,15 3.543,16 3.868,17 249.588,18 3.65,19 3.531,20 5.628,21 4.065,22 2.5,23 3.464,24 412.937,25 7,26 1.578,27 2,28 4.794,29 43.75,30 112.157,31 112.157,32 1.455,33 1.487,34 23.209,35 22.027,36 1.5,37 4.604,38 1.462,39 3.778,40 7.205,41 7.205,42 4.228,43 1,44 1,45 18.701,46 5.196,47 27.154,48 629.683,49 1.584,50 4.54,51 1.666,52 985.28,53 1,54 1.57,55 4.23,56 326.163,57 1.749,58 65.879,59 2.498,60 2.498,61 316.401,62 18.124,63 192.131,64 2.272,65 2.272,66 1.797,67 14.99,68 24.75,69 4.442,70 65.168,71 17.439,72 8.9,73 1.475,74 26.056,75 26.056,76 26.056,77 26.056,78 26.056,79 26.585,80 1.721,81 2.562,82 2.562,83 38095,84 4.393,85 3056,86 68.837,87 3.891,88 9.289,89 4.438,90 4.569,91 266.748,92 642.625,93 1.37,94 626,95 2.275,96 2.275,97 45.222,98 21.889,99 68.798,100 2.275,101 2.275,102 2.649,103 21.109,104 21.109,105 21.109,106 21.109,107 21.109,108 12.421,109 2.165,110 4.264,111 3.747,112 65.293,113 667.117,114 145.625,115 4.517,116 4.584,117 5.335,118 3.693,119 1.071,120 0.071,121 7.001,122 70581,123 8.472,124 2.541,125 5.361,126 212,127 5.826,128 351.42,129 3.475,130 5.255,131 23.13,132 215.198,133 0.8,134 18,135 6.996,136 27.113,137 39,138 3.784,139 3.784,140 6.699}
{0 CHEMBL2204111,1 2,3 3.738,4 3.636,5 3.744,6 3.679,7 12.352,8 3.594,9 4.222,10 1.929,11 114.129,12 17.19,13 9.953,14 1.701,15 3.45,16 3.744,17 211.906,18 3.584,19 3.456,20 5.442,21 3.953,22 2.17,23 3.34,24 351.597,25 8,26 1.509,27 1.987,28 4.666,29 38.675,30 96.646,31 96.646,32 1.324,33 1.36,34 20.516,35 19.588,36 1.134,37 4.488,38 1.461,39 3.414,40 7.062,41 7.062,42 4.108,43 1,44 1,45 16.762,46 5.033,47 23.948,48 571.96,49 1.528,50 4.402,51 1.655,52 888.53,53 0.971,54 1.495,55 4.125,56 284.382,57 1.673,58 57.569,59 2.431,60 2.431,61 265.945,62 16.089,63 169.525,64 1.965,65 1.965,66 1.774,67 13.597,68 21.75,69 4.344,70 57.066,71 15.399,72 7.356,73 1.348,74 23.386,75 23.386,76 23.386,77 23.386,78 23.386,79 24.01,80 1.681,81 2.136,82 2.136,83 28513,84 4.278,85 2310,86 61.853,87 3.771,88 8.993,89 4.313,90 4.202,91 238.57,92 573.87,93 1.236,94 567,95 1.808,96 1.808,97 39.693,98 19.551,99 60.841,100 1.532,101 1.532,102 2.5,103 18.621,104 18.621,105 18.621,106 18.621,107 18.621,108 10.679,109 1.675,110 4.12,111 3.743,112 57.228,113 605.817,114 129.599,115 4.377,116 4.442,117 5.228,118 3.589,119 1.091,120 0.091,121 6.227,122 54552,123 7.764,124 2.5,125 5.231,126 186,127 5.694,128 300.965,129 3.421,130 5.096,131 19.988,132 185.337,133 0.75,134 12,135 6.209,136 24.544,137 35,138 3.664,139 3.664,140 6.66}
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{0 CHEMBL2204113,1 5,3 3.788,4 3.655,5 3.84,6 3.677,7 13.738,8 3.66,9 4.386,10 2.242,11 122.959,12 19.096,13 11.055,14 1.746,15 3.494,16 3.845,17 246.823,18 3.637,19 3.503,20 5.615,21 4.045,22 2.5,23 3.358,24 399.713,25 7,26 1.582,27 2,28 4.676,29 43.168,30 110.108,31 110.108,32 1.375,33 1.522,34 22.761,35 21.994,36 1.451,37 4.53,38 1.461,39 3.562,40 7.182,41 7.182,42 4.246,43 1,44 1,45 18.307,46 5.165,47 26.736,48 603.021,49 1.578,50 4.523,51 1.706,52 956.79,53 1,54 1.554,55 4.183,56 318.144,57 1.7,58 64.048,59 2.465,60 2.465,61 308.612,62 18.136,63 185.421,64 2.142,65 2.142,66 1.792,67 14.904,68 24.75,69 4.386,70 63.605,71 16.817,72 8.578,73 1.494,74 25.609,75 25.609,76 25.609,77 25.609,78 25.609,79 26.173,80 1.74,81 2.562,82 2.562,83 33565,84 4.369,85 2848,86 67.057,87 3.874,88 9.22,89 4.45,90 4.508,91 265.55,92 639.701,93 1.347,94 607,95 2.275,96 2.275,97 45.08,98 21.435,99 66.582,100 2.136,101 2.136,102 2.541,103 20.642,104 20.642,105 20.642,106 20.642,107 20.642,108 12.239,109 1.832,110 4.231,111 3.74,112 63.58,113 647.533,114 145.188,115 4.544,116 4.591,117 5.311,118 3.668,119 1.071,120 0.071,121 6.963,122 59386,123 8.306,124 2.5,125 5.333,126 206,127 5.796,128 346.665,129 3.454,130 5.218,131 22.468,132 207.473,133 0.8,134 17,135 6.6,136 27.113,137 38,138 3.761,139 3.761,140 7.553}
{0 CHEMBL2204114,1 2,3 3.65,4 3.528,5 3.688,6 3.515,7 11.003,8 3.611,9 4.273,10 1.922,11 102.844,12 16.439,13 7.876,14 1.727,15 3.348,16 3.723,17 216.108,18 3.554,19 3.352,20 5.423,21 3.76,22 2.084,23 3.324,24 336.043,25 7,26 1.52,27 1.876,28 4.699,29 38.718,30 89.843,31 89.843,32 1.323,33 1.425,34 20.369,35 19.292,36 0.991,37 4.42,38 1.461,39 3.414,40 6.93,41 6.93,42 4.141,43 0.87,44 0.87,45 16.439,46 5.006,47 23.638,48 527.187,49 1.559,50 4.397,51 1.711,52 789.25,53 0.867,54 1.448,55 3.942,56 229.741,57 1.568,58 55.846,59 2.358,60 2.358,61 277.248,62 14.49,63 164.974,64 1.951,65 1.951,66 1.768,67 13.612,68 21.5,69 4.253,70 55.041,71 14.49,72 5.582,73 1.402,74 23.068,75 23.068,76 23.068,77 23.068,78 23.068,79 23.425,80 1.719,81 2.136,82 2.136,83 23543,84 4.254,85 2156,86 58.646,87 3.738,88 8.909,89 4.357,90 4.181,91 238.502,92 573.704,93 1.257,94 503,95 1.653,96 1.653,97 40.21,98 18.526,99 58.746,100 1.293,101 1.293,102 2.5,103 18.137,104 18.137,105 18.137,106 18.137,107 18.137,108 10.862,109 1.624,110 4.077,111 3.594,112 54.968,113 535.734,114 130.309,115 4.44,116 4.481,117 5.173,118 3.561,119 1.091,120 0.091,121 6.282,122 39972,123 7.667,124 2.5,125 5.187,126 178,127 5.645,128 307.302,129 3.353,130 5.051,131 19.086,132 178.345,133 0.75,134 14,135 5.44,136 24.242,137 34,138 3.638,139 3.638,140 7.06}
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{0 CHEMBL245732,1 2,2 1,3 3.626,4 3.422,5 3.704,6 3.41,7 10.169,8 3.443,9 3.831,10 0.972,11 90.882,12 14.297,13 8.082,14 1.625,15 3.233,16 3.58,17 207.767,18 3.38,19 3.237,20 5.068,21 3.682,22 1.465,23 3.046,24 253.858,25 5,26 1.392,27 1.134,28 4.838,29 33.939,30 86.919,31 86.919,32 0.76,33 1.429,34 17.515,35 17.408,36 0.291,37 3.943,38 1,39 3.101,40 6.003,41 6.003,42 3.679,43 0.252,44 0.252,45 14.008,46 4.788,47 20.733,48 419.95,49 1.476,50 4.041,51 1.54,52 641.26,53 0.206,54 1.33,55 3.692,56 208.259,57 1.506,58 48.744,59 2.15,60 2.15,61 261.254,62 13.264,63 134.881,64 1.83,65 1.83,66 1.716,67 11.473,68 20,69 3.791,70 48.155,71 12.893,72 5.497,73 1.376,74 19.516,75 19.516,76 19.516,77 19.516,78 19.516,79 20.053,80 1.609,81 1.236,82 1.236,83 17756,84 4.104,85 1376,86 49.432,87 3.602,88 8.391,89 3.828,90 4.092,91 212.312,92 509.801,93 1.204,94 410,95 0.638,96 0.638,97 35.961,98 16.727,99 49.696,100 -0.491,101 -0.491,102 2,103 15.803,104 15.803,105 15.803,106 15.803,107 15.803,108 9.671,109 1.333,110 3.969,111 3.517,112 48.276,113 438.159,114 116.819,115 3.991,116 4.032,117 4.984,118 3.408,119 1.095,120 0.095,121 5.461,122 29617,123 6.306,124 1.993,125 5.043,126 154,127 5.501,128 269.254,129 3.069,130 4.828,131 17.15,132 148.92,133 0.75,134 8,135 4.548,136 20.88,137 29,138 3.497,139 3.497,140 7.347}
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{0 CHEMBL272453,3 3.447,4 3.22,5 3.485,6 3.173,7 9.086,8 3.405,9 3.491,10 1.138,11 91.612,12 14.335,13 6.66,14 1.594,15 3.138,16 3.534,17 168.89,18 3.345,19 3.165,20 5.271,21 3.672,22 1.346,23 3.274,24 250.863,25 4,26 1.266,27 1.028,28 4.317,29 31.745,30 79.603,31 79.603,32 0.781,33 1.167,34 16.885,35 16.157,36 0.096,37 3.778,38 1,39 3.073,40 6.705,41 6.705,42 3.425,43 0.082,44 0.082,45 14.046,46 4.788,47 19.807,48 495.42,49 1.459,50 3.913,51 1.436,52 739.12,53 0.077,54 1.211,55 3.572,56 209.712,57 1.256,58 48.156,59 2.241,60 2.241,61 198.6,62 13.04,63 136.881,64 1.831,65 1.831,66 1.713,67 11.442,68 19,69 3.538,70 47.703,71 12.669,72 4.684,73 1.204,74 19.679,75 19.679,76 19.679,77 19.679,78 19.679,79 20.122,80 1.557,81 1.222,82 1.222,83 20810,84 4.104,85 1317,86 49.374,87 3.526,88 8.376,89 3.493,90 4.126,91 197.933,92 474.718,93 1.154,94 477,95 0.199,96 0.199,97 32.574,98 16.383,99 49.828,100 -0.334,101 -0.334,102 2.174,103 15.72,104 15.72,105 15.72,106 15.72,107 15.72,108 8.6,109 1.185,110 3.892,111 3.466,112 47.84,113 508.778,114 111.679,115 3.57,116 3.728,117 5.034,118 3.407,119 1.095,120 0.095,121 5.327,122 39432,123 6.389,124 1.854,125 5.043,126 154,127 5.501,128 229.819,129 3.198,130 4.832,131 15.961,132 150.133,133 0.75,134 9,135 4.521,136 20.88,137 29,138 3.497,139 3.497,140 5.4}
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{0 CHEMBL274064,1 2,2 1,3 3.59,4 3.408,5 3.662,6 3.382,7 8.345,8 3.206,9 3.792,10 0.744,11 76.831,12 11.826,13 6.137,14 1.426,15 2.941,16 3.42,17 164.915,18 3.111,19 2.91,20 4.965,21 3.503,22 0.945,23 2.684,24 218.714,25 3,26 1.23,27 0.527,28 4.605,29 28.199,30 68.936,31 68.936,32 0.336,33 1.28,34 15.183,35 13.691,36 -0.502,37 3.93,38 0.805,39 2.724,40 5.741,41 5.741,42 3.647,43 -0.397,44 -0.397,45 12.22,46 4.592,47 17.655,48 393.573,49 1.376,50 3.996,51 1.48,52 576.65,53 -0.366,54 1.18,55 3.528,56 173.289,57 1.231,58 42.459,59 2.039,60 2.039,61 202.605,62 10.31,63 108.096,64 1.414,65 1.414,66 1.69,67 10.271,68 17.25,69 3.789,70 42.078,71 10.932,72 4.53,73 1.278,74 17.206,75 17.206,76 17.206,77 17.206,78 17.206,79 17.657,80 1.429,81 -0.314,82 -0.314,83 10545,84 3.967,85 991,86 42.514,87 3.422,88 8.031,89 3.865,90 3.655,91 172.404,92 412.425,93 1.153,94 371,95 -0.884,96 -0.884,97 29.302,98 14.607,99 43.249,100 -1.324,101 -1.324,102 2,103 13.852,104 13.852,105 13.852,106 13.852,107 13.852,108 8.215,109 1.04,110 3.796,111 3.509,112 42.171,113 392.54,114 94.999,115 3.971,116 3.997,117 4.854,118 3.269,119 1,121 4.906,122 18228,123 5.472,124 1.159,125 4.905,126 134,127 5.361,128 210.215,129 2.979,130 4.612,131 14.746,132 117.553,133 1,134 8,135 3.976,136 16.355,137 25,138 3.367,139 3.367,140 5.6}
{0 CHEMBL274389,1 1,3 3.699,4 3.569,5 3.705,6 3.598,7 11.108,8 3.463,9 3.869,10 1,11 97.507,12 14.955,13 9.224,14 1.562,15 3.222,16 3.579,17 222.152,18 3.427,19 3.253,20 5.352,21 3.799,22 1.219,23 3.23,24 248.251,25 8,26 1.322,27 0.654,28 4.911,29 34.421,30 95.83,31 95.83,32 1,33 1.308,34 17.227,35 17.824,36 -0.424,37 3.978,38 1.07,39 2.804,40 6.994,41 6.994,42 3.762,43 -0.275,44 -0.275,45 14.061,46 4.78,47 20.414,48 436.609,49 1.528,50 4.031,51 1.571,52 682.81,53 -0.255,54 1.284,55 3.78,56 225.452,57 1.609,58 47.457,59 2.443,60 2.443,61 270.1,62 14.714,63 139.207,64 1.667,65 1.667,66 1.728,67 10.946,68 18.5,69 3.969,70 46.141,71 13.327,72 5.651,73 1.295,74 19.212,75 19.212,76 19.212,77 19.212,78 19.212,79 19.64,80 1.564,81 0.427,82 0.427,83 20765,84 4.097,85 1592,86 52.274,87 3.623,88 8.504,89 3.901,90 3.923,91 222.571,92 534.834,93 1.239,94 443,95 -0.467,96 -0.467,97 36.108,98 15.849,99 48.759,100 -0.948,101 -0.948,102 1.805,103 15.096,104 15.096,105 15.096,106 15.096,107 15.096,108 9.25,109 1.488,110 3.928,111 3.603,112 46.215,113 478.16,114 116.026,115 3.967,116 3.98,117 5.024,118 3.44,119 1,121 4.951,122 36914,123 6.694,124 1.533,125 5.017,126 150,127 5.476,128 279.71,129 3.436,130 4.878,131 16.438,132 156.013,133 1,134 7,135 4.967,136 22.724,137 30,138 3.466,139 3.466,140 5.854}
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{0 CHEMBL392615,1 1,2 1,3 3.578,4 3.364,5 3.64,6 3.34,7 9.801,8 3.441,9 3.815,10 1,11 88.46,12 13.924,13 7.437,14 1.624,15 3.233,16 3.542,17 199.726,18 3.378,19 3.237,20 5.046,21 3.649,22 1.439,23 3.046,24 243.875,25 5,26 1.393,27 1.08,28 4.991,29 32.412,30 83.303,31 83.303,32 0.738,33 1.437,34 17.154,35 16.461,36 0.253,37 3.965,38 1,39 2.994,40 5.931,41 5.931,42 3.678,43 0.217,44 0.217,45 13.635,46 4.748,47 19.951,48 409.246,49 1.453,50 4.011,51 1.555,52 623.27,53 0.172,54 1.331,55 3.707,56 200.289,57 1.439,58 46.343,59 2.124,60 2.124,61 254.539,62 12.524,63 134.606,64 1.748,65 1.748,66 1.71,67 11.346,68 19.25,69 3.808,70 45.97,71 12.153,72 5.35,73 1.404,74 19.179,75 19.179,76 19.179,77 19.179,78 19.179,79 19.676,80 1.611,81 0.58,82 0.58,83 15883,84 4.073,85 1228,86 47.634,87 3.56,88 8.308,89 3.791,90 4.003,91 202.719,92 486.395,93 1.186,94 400,95 0.53,96 0.53,97 34.199,98 16.097,99 47.63,100 -0.548,101 -0.548,102 1.993,103 15.27,104 15.27,105 15.27,106 15.27,107 15.27,108 9.315,109 1.274,110 3.925,111 3.49,112 46.002,113 425.03,114 111.701,115 3.912,116 3.977,117 4.949,118 3.375,119 1.095,120 0.095,121 5.352,122 27088,123 6.194,124 1.496,125 5.004,126 148,127 5.46,128 272.539,129 3.076,130 4.779,131 16.539,132 141,133 0.75,134 4,135 4.393,136 20.01,137 28,138 3.466,139 3.466,140 7.509}
{0 CHEMBL392642,1 2,2 1,3 3.502,4 3.281,5 3.566,6 3.286,7 11.139,8 3.535,9 3.898,10 1.084,11 94.205,12 14.659,13 8.201,14 1.663,15 3.189,16 3.588,17 206.154,18 3.462,19 3.18,20 5.116,21 3.702,22 1.485,23 2.919,24 237.894,25 9,26 1.302,27 1.261,28 4.662,29 34.54,30 93.92,31 93.92,32 0.957,33 1.461,34 18.029,35 17.451,36 0.452,37 3.904,38 1,39 2.742,40 6.286,41 6.286,42 3.829,43 0.435,44 0.435,45 14.101,46 4.792,47 20.684,48 402.164,49 1.467,50 4.041,51 1.527,52 595.33,53 0.352,54 1.234,55 3.875,56 194.594,57 1.379,58 44.782,59 2.201,60 2.201,61 265.72,62 12.476,63 134.881,64 1.607,65 1.607,66 1.72,67 11.78,68 18.5,69 3.937,70 44.952,71 12.01,72 6.292,73 1.407,74 19.809,75 19.809,76 19.809,77 19.809,78 19.809,79 20.382,80 1.597,81 0.714,82 0.714,83 17669,84 4.092,85 1561,86 49.218,87 3.643,88 8.412,89 3.857,90 4.105,91 219.834,92 528.156,93 1.226,94 386,95 0.693,96 0.693,97 36.966,98 15.933,99 46.615,100 -0.431,101 -0.431,102 1.881,103 15.154,104 15.154,105 15.154,106 15.154,107 15.154,108 9.893,109 1.524,110 3.953,111 3.502,112 44.875,113 413.786,114 122.016,115 3.923,116 3.93,117 4.905,118 3.407,119 1,121 5.397,122 28611,123 6.667,124 1.604,125 4.977,126 144,127 5.425,128 281.72,129 3.187,130 4.827,131 16.899,132 149.455,133 1,134 3,135 4.481,136 20.993,137 29,138 3.466,139 3.466,140 5.4}
{0 CHEMBL393041,1 2,3 3.383,4 3.202,5 3.416,6 3.187,7 7.814,8 3.131,9 3.203,10 0.5,11 75.06,12 11.264,13 5.923,14 1.236,15 2.869,16 3.31,17 131.364,18 3.065,19 2.88,20 4.954,21 3.517,22 0.745,23 2.882,24 191.267,25 2,26 1.073,27 0.297,28 4.511,29 24.478,30 62.92,31 62.92,32 0.349,33 1.107,34 13.576,35 12.679,36 -0.845,37 3.506,38 0.651,39 2.67,40 5.708,41 5.708,42 3.128,43 -0.661,44 -0.661,45 11.204,46 4.469,47 15.86,48 409.074,49 1.19,50 3.575,51 1.242,52 620.32,53 -0.625,54 1.025,55 3.246,56 184.496,57 1.179,58 39.832,59 2,60 2,61 153.364,62 10.199,63 100.042,64 1.495,65 1.495,66 1.656,67 9.255,68 15.75,69 3.349,70 39.221,71 10.282,72 4.462,73 1.062,74 15.74,75 15.74,76 15.74,77 15.74,78 15.74,79 16.244,80 1.263,81 -0.842,82 -0.842,83 10295,84 3.889,85 687,86 40.605,87 3.323,88 7.731,89 3.207,90 3.584,91 151.83,92 362.226,93 1.01,94 397,95 -1.535,96 -1.535,97 25.108,98 13.708,99 39.899,100 -2.294,101 -2.294,102 1.38,103 12.864,104 12.864,105 12.864,106 12.864,107 12.864,108 6.898,109 0.948,110 3.677,111 3.428,112 39.192,113 422.528,114 86.082,115 3.279,116 3.331,117 4.83,118 3.189,119 1.095,120 0.095,121 4.442,122 19875,123 4.944,124 1,125 4.844,126 126,127 5.303,128 162.974,129 2.96,130 4.494,131 13.191,132 106.982,133 0.75,134 6,135 3.742,136 15.295,137 23,138 3.296,139 3.296,140 5}
{0 CHEMBL393659,1 4,2 1,3 3.572,4 3.348,5 3.648,6 3.324,7 9.723,8 3.439,9 3.714,10 0.972,11 87.946,12 13.814,13 7.628,14 1.619,15 3.231,16 3.537,17 195.181,18 3.376,19 3.235,20 5.093,21 3.653,22 1.463,23 3.046,24 244.545,25 3,26 1.389,27 1.111,28 4.741,29 32.412,30 83.303,31 83.303,32 0.756,33 1.376,34 16.885,35 16.701,36 0.265,37 3.875,38 1,39 3.1,40 6.052,41 6.052,42 3.597,43 0.224,44 0.224,45 13.525,46 4.736,47 19.916,48 422.654,49 1.38,50 4.029,51 1.535,52 645.85,53 0.182,54 1.327,55 3.656,56 205.842,57 1.429,58 47.527,59 2.11,60 2.11,61 241.784,62 12.76,63 128.606,64 1.761,65 1.761,66 1.708,67 10.962,68 19.5,69 3.741,70 46.899,71 12.389,72 5.346,73 1.376,74 18.861,75 18.861,76 18.861,77 18.861,78 18.861,79 19.411,80 1.605,81 1.233,82 1.233,83 16135,84 4.07,85 1222,86 48.271,87 3.553,88 8.294,89 3.706,90 3.98,91 202.719,92 486.395,93 1.153,94 412,95 0.558,96 0.558,97 34.199,98 16.195,99 48.395,100 -0.583,101 -0.583,102 2,103 15.267,104 15.267,105 15.267,106 15.267,107 15.267,108 9.228,109 1.333,110 3.928,111 3.485,112 47.073,113 440.022,114 111.71,115 3.848,116 3.988,117 4.963,118 3.374,119 1.095,120 0.095,121 5.178,122 27448,123 6.083,124 1.993,125 5.017,126 150,127 5.476,128 249.784,129 3.044,130 4.778,131 16.488,132 141.489,133 0.75,134 10,135 4.401,136 20.173,137 28,138 3.466,139 3.466,140 7.432}
{0 CHEMBL393861,1 2,2 1,3 3.569,4 3.361,5 3.645,6 3.345,7 9.812,8 3.44,9 3.752,10 0.972,11 88.569,12 13.941,13 7.375,14 1.621,15 3.231,16 3.542,17 201.726,18 3.376,19 3.235,20 5.064,21 3.649,22 1.464,23 3.046,24 242.616,25 5,26 1.389,27 1.126,28 4.952,29 32.412,30 83.303,31 83.303,32 0.757,33 1.429,34 17.231,35 16.461,36 0.282,37 3.891,38 1,39 3.063,40 5.966,41 5.966,42 3.617,43 0.244,44 0.244,45 13.652,46 4.748,47 19.951,48 411.386,49 1.447,50 3.996,51 1.538,52 626.93,53 0.199,54 1.327,55 3.654,56 201.427,57 1.446,58 46.693,59 2.051,60 2.051,61 252.539,62 12.423,63 130.606,64 1.546,65 1.546,66 1.708,67 11.428,68 19.25,69 3.749,70 46.261,71 12.052,72 5.374,73 1.376,74 19.231,75 19.231,76 19.231,77 19.231,78 19.231,79 19.744,80 1.606,81 1.233,82 1.233,83 16319,84 4.073,85 1244,86 47.52,87 3.56,88 8.291,89 3.738,90 4.026,91 202.719,92 486.395,93 1.16,94 402,95 0.6,96 0.6,97 34.199,98 16.119,99 47.777,100 -0.503,101 -0.503,102 2,103 15.269,104 15.269,105 15.269,106 15.269,107 15.269,108 9.326,109 1.333,110 3.925,111 3.474,112 46.366,113 426.297,114 111.524,115 3.882,116 3.949,117 4.949,118 3.374,119 1.095,120 0.095,121 5.341,122 27824,123 6.222,124 1.993,125 5.004,126 148,127 5.46,128 260.539,129 3.003,130 4.776,131 16.536,132 141.761,133 0.75,134 8,135 4.403,136 20.01,137 28,138 3.466,139 3.466,140 7.071}
{0 CHEMBL394619,3 3.446,4 3.246,5 3.494,6 3.23,7 9.348,8 3.324,9 3.536,10 1.042,11 85.262,12 13.551,13 7.156,14 1.421,15 3.133,16 3.523,17 161.795,18 3.276,19 3.131,20 5.034,21 3.622,22 1.182,23 3.165,24 227.926,25 3,26 1.271,27 0.765,28 4.424,29 30.675,30 71.836,31 71.836,32 0.624,33 1.25,34 15.515,35 15.508,36 -0.304,37 3.612,38 0.807,39 2.949,40 5.716,41 5.716,42 3.407,43 -0.233,44 -0.233,45 13.097,46 4.694,47 18.915,48 409.853,49 1.365,50 3.882,51 1.447,52 633.73,53 -0.229,54 1.219,55 3.379,56 197.032,57 1.396,58 45.308,59 2.095,60 2.095,61 199.094,62 12.533,63 122.382,64 1.743,65 1.743,66 1.694,67 10.791,68 17,69 3.435,70 44.744,71 11.982,72 5.193,73 1.244,74 18.309,75 18.309,76 18.309,77 18.309,78 18.309,79 18.668,80 1.468,81 0.194,82 0.194,83 15615,84 4.038,85 1035,86 45.843,87 3.567,88 8.171,89 3.495,90 3.994,91 192.739,92 462.043,93 1.141,94 410,95 -0.562,96 -0.562,97 32.455,98 15.403,99 46.346,100 -0.77,101 -0.77,102 2.187,103 14.831,104 14.831,105 14.831,106 14.831,107 14.831,108 8.472,109 1.088,110 3.882,111 3.453,112 44.639,113 436.082,114 110.81,115 3.595,116 3.713,117 4.98,118 3.339,119 1.095,120 0.095,121 5.145,122 27102,123 5.861,124 1.322,125 4.977,126 144,127 5.434,128 225.624,129 3.076,130 4.728,131 15.514,132 136.072,133 0.75,134 6,135 4.219,136 19.156,137 27,138 3.434,139 3.434,140 5.8}
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{0 CHEMBL939,1 1,3 3.558,4 3.362,5 3.603,6 3.346,7 10.493,8 3.482,9 3.938,10 1.471,11 99.806,12 15.013,13 7.56,14 1.616,15 3.229,16 3.614,17 205.859,18 3.432,19 3.246,20 5.34,21 3.763,22 1.555,23 2.999,24 272.759,25 8,26 1.354,27 1.27,28 4.774,29 35.236,30 97.073,31 97.073,32 0.969,33 1.417,34 19.212,35 17.992,36 0.416,37 4.024,38 1.256,39 3.201,40 6.774,41 6.774,42 3.875,43 0.391,44 0.391,45 15.135,46 4.899,47 21.807,48 488.128,49 1.407,50 4.066,51 1.594,52 724.55,53 0.34,54 1.309,55 4.007,56 220.188,57 1.452,58 49.568,59 2.228,60 2.228,61 262.591,62 13.085,63 149.58,64 1.675,65 1.675,66 1.737,67 12.772,68 21.25,69 4.035,70 49.662,71 13.173,72 5.373,73 1.376,74 21.3,75 21.3,76 21.3,77 21.3,78 21.3,79 22.231,80 1.604,81 1.449,82 1.449,83 23153,84 4.172,85 1793,86 51.362,87 3.608,88 8.602,89 3.93,90 4.318,91 217.506,92 522.475,93 1.153,94 463,95 0.737,96 0.737,97 36.557,98 18.21,99 51.011,100 0.598,101 0.598,102 2,103 16.748,104 16.748,105 16.748,106 16.748,107 16.748,108 9.925,109 1.618,110 3.967,111 3.489,112 49.795,113 494.037,114 117.539,115 4,116 4.022,117 4.999,118 3.472,119 1.091,120 0.091,121 6.022,122 42102,123 6.944,124 1.822,125 5.081,126 160,127 5.533,128 287.22,129 3.155,130 4.92,131 17.542,132 162.713,133 0.75,134 4,135 4.82,136 21.261,137 31,138 3.555,139 3.555,140 5.6}
{0 CHEMBL941,1 1,2 1,3 3.794,4 3.614,5 3.855,6 3.604,7 12.457,8 3.724,9 4.166,10 2.5,11 112.246,12 18.03,13 9.392,14 1.794,15 3.505,16 3.826,17 239.113,18 3.667,19 3.524,20 5.313,21 3.863,22 2.5,23 3.434,24 345.14,25 7,26 1.608,27 1.967,28 4.69,29 43.186,30 99.834,31 99.834,32 1.146,33 1.503,34 22.252,35 21.185,36 1.5,37 4.111,38 1.262,39 3.429,40 6.87,41 6.87,42 4.067,43 1,44 1,45 18.03,46 5.159,47 26.45,48 521.411,49 1.588,50 4.291,51 1.728,52 775.58,53 0.965,54 1.556,55 3.986,56 240.37,57 1.681,58 61.129,59 2.392,60 2.392,61 318.954,62 16.198,63 184.75,64 2.123,65 2.123,66 1.776,67 15.065,68 24.75,69 4.026,70 60.636,71 16.198,72 6.573,73 1.48,74 25.256,75 25.256,76 25.256,77 25.256,78 25.256,79 25.762,80 1.779,81 2.387,82 2.387,83 35900,84 4.35,85 2915,86 61.824,87 3.85,88 9.086,89 4.136,90 4.937,91 265.482,92 639.535,93 1.344,94 502,95 2.275,96 2.275,97 45.631,98 21.073,99 61.655,100 2.275,101 2.275,102 2.709,103 20.276,104 20.276,105 20.276,106 20.276,107 20.276,108 12.293,109 1.829,110 4.187,111 3.684,112 60.676,113 535.987,114 146.651,115 4.248,116 4.268,117 5.231,118 3.642,119 1,121 7.248,122 58418,123 8.083,124 2.5,125 5.273,126 194,127 5.727,128 358.928,129 3.344,130 5.178,131 21.544,132 208.703,133 1,134 13,135 5.724,136 25.614,137 37,138 3.738,139 3.738,140 5.284}
{0 CHEMBL95692,1 4,2 1,3 3.592,4 3.409,5 3.658,6 3.38,7 8.669,8 3.306,9 3.883,10 0.81,11 80.885,12 12.365,13 6.266,14 1.51,15 2.958,16 3.454,17 169.048,18 3.238,19 2.968,20 5.02,21 3.549,22 1.158,23 2.701,24 230.118,25 4,26 1.24,27 0.786,28 4.646,29 29.42,30 75.325,31 75.325,32 0.799,33 1.363,34 16.105,35 14.522,36 -0.167,37 3.989,38 0.937,39 2.753,40 5.945,41 5.945,42 3.766,43 -0.137,44 -0.137,45 12.758,46 4.65,47 18.396,48 415.273,49 1.385,50 4.041,51 1.513,52 608.88,53 -0.123,54 1.183,55 3.672,56 180.448,57 1.244,58 43.502,59 2.082,60 2.082,61 213.719,62 10.48,63 114.211,64 1.421,65 1.421,66 1.701,67 10.774,68 18,69 3.89,70 43.259,71 11.101,72 4.672,73 1.376,74 18.077,75 18.077,76 18.077,77 18.077,78 18.077,79 18.673,80 1.517,81 0.621,82 0.621,83 11745,84 4.005,85 1120,86 44.044,87 3.452,88 8.146,89 3.929,90 3.732,91 179.198,92 429.003,93 1.165,94 389,95 -0.314,96 -0.314,97 30.512,98 15.192,99 44.536,100 -1.201,101 -1.201,102 2,103 14.28,104 14.28,105 14.28,106 14.28,107 14.28,108 8.507,109 1.04,110 3.82,111 3.512,112 43.274,113 414.186,114 96.762,115 4.014,116 4.043,117 4.877,118 3.306,119 1,121 5.052,122 20321,123 5.806,124 1.583,125 4.934,126 138,127 5.389,128 221.329,129 3.012,130 4.668,131 15.15,132 124.12,133 1,134 9,135 4.084,136 17.062,137 26,138 3.401,139 3.401,140 5.4}
{0 CHEMBL97162,1 4,2 1,3 3.616,4 3.441,5 3.671,6 3.41,7 9.037,8 3.306,9 3.962,10 0.899,11 83.326,12 12.758,13 6.747,14 1.513,15 2.96,16 3.499,17 173.956,18 3.24,19 2.971,20 5.028,21 3.58,22 1.175,23 2.93,24 242.229,25 4,26 1.243,27 0.866,28 4.577,29 30.64,30 79.401,31 79.401,32 0.804,33 1.368,34 16.553,35 15.047,36 -0.071,37 4.03,38 0.937,39 2.795,40 6.012,41 6.012,42 3.85,43 -0.063,44 -0.063,45 13.152,46 4.694,47 19.038,48 427.419,49 1.39,50 4.078,51 1.522,52 625.67,53 -0.057,54 1.196,55 3.765,56 187.777,57 1.301,58 45.287,59 2.203,60 2.203,61 219.714,62 11.101,63 120.382,64 1.61,65 1.61,66 1.71,67 10.86,68 18.25,69 3.968,70 44.817,71 11.723,72 5.03,73 1.376,74 18.524,75 18.524,76 18.524,77 18.524,78 18.524,79 19.088,80 1.524,81 0.621,82 0.621,83 13245,84 4.038,85 1254,86 45.539,87 3.499,88 8.252,89 3.993,90 3.791,91 185.992,92 445.581,93 1.168,94 400,95 -0.145,96 -0.145,97 31.722,98 15.639,99 46.671,100 -0.584,101 -0.584,102 2,103 14.746,104 14.746,105 14.746,106 14.746,107 14.746,108 8.88,109 1,110 3.876,111 3.548,112 44.867,113 425.746,114 99.287,115 4.069,116 4.085,117 4.914,118 3.341,119 1,121 5.089,122 23274,123 5.972,124 1.583,125 4.977,126 144,127 5.434,128 235.323,129 3.142,130 4.721,131 15.885,132 130.885,133 1,134 9,135 4.312,136 17.933,137 27,138 3.434,139 3.434,140 8.301}