@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL2148

@attribute molecule_id 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@attribute nPyrroles numeric
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@attribute SRW09 numeric
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@attribute SpMin4_Bh.v. numeric
@attribute SpMax2_Bh.i. numeric
@attribute JGI4 numeric
@attribute SpMin4_Bh.s. numeric
@attribute SsssN numeric
@attribute NsssCH numeric
@attribute C.026 numeric
@attribute SpMin4_Bh.e. numeric
@attribute NsssN numeric
@attribute SaaN numeric
@attribute C.008 numeric
@attribute SpMax1_Bh.i. numeric
@attribute SpMin4_Bh.p. numeric
@attribute nCsp3 numeric
@attribute NssCH2 numeric
@attribute SM05_EA.bo. numeric
@attribute SM06_EA.bo. numeric
@attribute SM07_EA.bo. numeric
@attribute SssCH2 numeric
@attribute SaasN numeric
@attribute NaasN numeric
@attribute SpMin1_Bh.s. numeric
@attribute Eig03_EA.ri. numeric
@attribute Eig02_AEA.bo. numeric
@attribute SpMin6_Bh.i. numeric
@attribute D.Dtr12 numeric
@attribute MATS1i numeric
@attribute SpMin5_Bh.e. numeric
@attribute Rperim numeric
@attribute C.032 numeric
@attribute piPC05 numeric
@attribute SM09_EA.bo. numeric
@attribute SM08_AEA.bo. numeric
@attribute Eta_betaS_A numeric
@attribute D.Dtr09 numeric
@attribute RCI numeric
@attribute piPC04 numeric
@attribute SM04_EA.bo. numeric
@attribute nR12 numeric
@attribute PW5 numeric
@attribute MATS1m numeric
@attribute DLS_04 numeric
@attribute Eig04_AEA.ed. numeric
@attribute ATSC2m numeric
@attribute SpMAD_EA.ed. numeric
@attribute nR09 numeric
@attribute nCrt numeric
@attribute nArNHR numeric
@attribute GATS1v numeric
@attribute nCrs numeric
@attribute GATS1i numeric
@attribute SpDiam_AEA.bo. numeric
@attribute Eig13_EA numeric
@attribute SM07_AEA.dm. numeric
@attribute C.034 numeric
@attribute X4v numeric
@attribute RFD numeric
@attribute X2A numeric
@attribute Eig01_EA.bo. numeric
@attribute SM11_AEA.ri. numeric
@attribute SpDiam_EA.bo. numeric
@attribute SpMax_EA.bo. numeric
@attribute Eig12_AEA.dm. numeric
@attribute SNar numeric
@attribute nCb. numeric
@attribute P_VSA_i_1 numeric
@attribute Eig13_AEA.ri. numeric
@attribute Eig13_EA.ri. numeric
@attribute Xt numeric
@attribute nPyrimidines numeric
@attribute Eig13_AEA.dm. numeric
@attribute SpMin5_Bh.s. numeric
@attribute NNRS numeric
@attribute CATS2D_02_AL numeric
@attribute TRS numeric
@attribute ATSC3v numeric
@attribute X3A numeric
@attribute SM07_AEA.bo. numeric
@attribute piPC03 numeric
@attribute Eig14_AEA.bo. numeric
@attribute Eig15_AEA.ri. numeric
@attribute CATS2D_05_AA numeric
@attribute SRW05 numeric
@attribute SM12_EA.bo. numeric
@attribute SM13_EA.bo. numeric
@attribute TWC numeric
@attribute MATS1v numeric
@attribute Eig13_EA.bo. numeric
@attribute MPC07 numeric
@attribute MWC10 numeric
@attribute SM14_EA.bo. numeric
@attribute Chi0_EA.ed. numeric
@attribute H.047 numeric
@attribute MPC08 numeric
@attribute Eta_L numeric
@attribute Eig13_EA.ed. numeric
@attribute SM08_AEA.ri. numeric
@attribute Eig12_AEA.ri. numeric
@attribute MWC09 numeric
@attribute SpMax6_Bh.i. numeric
@attribute Eig15_EA numeric
@attribute Eig15_EA.bo. numeric
@attribute Eig15_EA.ed. numeric
@attribute Eig15_EA.ri. numeric
@attribute SM09_AEA.dm. numeric
@attribute SM10_AEA.ri. numeric
@attribute nCIC numeric
@attribute Eig12_EA numeric
@attribute SM06_AEA.dm. numeric
@attribute SpMin5_Bh.p. numeric
@attribute Eig14_EA.ed. numeric
@attribute SM09_AEA.ri. numeric
@attribute SM11_EA.bo. numeric
@attribute MATS1p numeric
@attribute X4A numeric
@attribute MPC06 numeric
@attribute MWC08 numeric
@attribute X5A numeric
@attribute NaaaC numeric
@attribute SM03_EA.bo. numeric
@attribute SIC0 numeric
@attribute SpMin5_Bh.v. numeric
@attribute CATS2D_04_AA numeric
@attribute Qindex numeric
@attribute MPC10 numeric
@attribute MPC01 numeric
@attribute MWC01 numeric
@attribute nBO numeric
@attribute SRW02 numeric
@attribute SpAD_EA.ri. numeric
@attribute S.107 numeric
@attribute nCsp2 numeric
@attribute ATS3i numeric
@attribute pXC50 numeric

@data
{2 8,3 0.336,4 1,5 6.862,6 4.727,8 1.633,9 3.916,10 0.038,11 0.766,14 2,15 1.429,17 8.82,19 4.128,20 1.597,21 1,23 7.837,24 9.773,25 10.716,29 1.154,30 2.526,31 4.196,32 1.086,34 -0.04,35 1.267,36 23,38 6.205,39 13.557,40 13.044,41 0.63,43 1,44 5.633,45 7.299,47 0.102,48 0.116,49 0.6,50 5.772,51 14.667,52 4.34,56 0.805,58 0.959,59 5.267,60 0.792,61 0.792,62 1,63 3.378,65 0.283,66 4.301,67 4.301,68 7.301,69 4.301,70 1,71 20.285,72 4,73 19.133,74 1.716,75 0.73,76 0.222,78 0.826,79 0.462,80 1,81 4,82 23,83 8.97,84 0.179,85 11.63,86 5.025,87 1.137,88 0.504,90 2.398,91 17.883,92 19.238,93 12.577,94 0.039,95 1.169,96 4.875,97 12.053,98 20.7,99 10.837,100 13,101 4.99,102 5.06,103 2.136,104 2.136,105 1.892,106 11.154,107 2.942,108 -0.453,109 -0.594,110 -1.096,111 -0.422,112 -0.453,113 -1.096,114 4,115 0.945,116 0.945,117 1.469,118 -0.422,119 -0.422,120 16.393,121 0.009,122 0.112,123 4.718,124 10.26,125 0.071,127 4.796,128 0.31,129 1.481,131 21,132 5.231,133 3.434,134 3.434,135 30,136 4.111,137 43.112,139 20,140 4.722,141 5.15}
{0 CHEMBL101253,2 5,3 0.218,4 1,8 1.544,9 3.913,10 0.038,11 0.604,14 2,15 1.354,17 12.929,19 4.126,20 1.553,21 1,22 1,23 7.805,24 9.802,25 10.798,26 0.72,29 1.278,30 2.46,31 4.03,32 0.821,34 0.037,35 1.18,36 22,38 6.178,39 13.773,40 12.897,41 0.63,43 1.091,44 5.564,45 7.267,47 0.108,48 0.023,49 0.6,50 5.255,51 10.545,52 4.093,55 1,56 0.771,58 1,59 5.378,60 0.02,61 0.02,63 2.872,64 0.091,65 0.285,66 4.543,67 4.543,68 7.543,69 4.543,70 0.741,71 19.474,72 4,74 0.935,75 0.016,76 0.227,78 0.426,79 0.418,80 0.75,81 5,82 24,83 8.915,84 0.183,85 11.486,86 4.951,87 1.014,88 0.391,91 18.301,92 19.747,93 12.382,94 0.028,95 0.025,96 4.654,97 11.846,98 21.27,99 10.512,100 10,101 4.812,102 4.625,103 0.048,104 0.048,105 1.405,106 10.964,107 2.946,108 -0.583,109 -0.833,110 -1.455,111 -0.561,112 -0.583,113 -1.455,114 4,115 0.449,116 0.449,117 1.376,118 -0.814,119 -0.814,120 16.755,121 0.023,122 0.116,123 4.489,124 10.087,125 0.076,126 2,127 4.691,128 0.281,129 1.378,131 19,132 4.934,133 3.367,134 3.367,135 28,136 4.043,137 39.561,139 19,140 4.697,141 5.2}
{0 CHEMBL101311,2 7,3 0.469,4 2,8 1.837,9 3.919,10 0.039,11 0.788,12 1.907,13 1,14 5,15 1.654,16 1,17 8.675,18 1,19 4.018,20 1.842,21 5,22 2,23 7.499,24 9.436,25 10.217,26 0.773,29 1.164,30 2.378,31 4.112,32 0.975,34 -0.244,35 1.338,36 18,37 1,38 5.813,39 12.913,40 12.744,41 0.667,43 1,44 5.277,45 7.086,47 0.088,48 0.007,49 1,50 5.239,51 19.414,52 3.973,55 2,56 0.91,58 1.474,59 5.163,60 0.293,61 0.293,63 2.987,65 0.308,66 3.91,67 3.91,68 6.91,69 3.91,70 1,71 20.978,72 5,74 1.133,75 0.211,76 0.218,77 1,78 0.873,79 0.773,80 1,81 4,82 18,83 11.89,84 0.195,85 11.385,86 4.76,87 1.307,88 0.65,91 17.079,92 18.285,93 12.255,94 -0.01,95 0.356,96 4.382,97 11.693,98 19.711,99 11.886,100 19,101 4.533,102 6.36,103 0.682,104 0.682,105 1.548,106 10.843,107 3.193,108 -0.176,109 -0.214,110 -0.444,111 -0.128,112 -0.176,113 -0.444,114 3,115 0.673,116 0.673,117 1.616,118 0.188,119 0.188,120 15.601,121 -0.056,122 0.128,123 4.304,124 10.012,125 0.083,127 4.677,128 0.302,129 1.627,130 1,131 18,132 4.663,133 3.497,134 3.497,135 32,136 4.174,137 42.524,139 16,140 4.985,141 5.6}
{0 CHEMBL103667,2 6,3 0.825,4 1,5 6.862,6 4.727,8 1.946,9 4.073,10 0.038,11 1.145,12 2.346,14 3,15 1.735,16 1,17 4.812,19 4.142,20 1.919,21 11,22 6,23 8.228,24 10.072,25 11.176,26 4.856,27 1.781,28 1,29 1.294,30 2.833,31 4.578,32 1.413,34 -0.126,35 1.523,36 27,38 6.349,39 14.116,40 13.406,41 0.647,43 1.074,44 5.808,45 7.526,47 0.103,48 0.071,49 0.9,50 5.74,51 32.2,52 4.371,56 1.032,58 1.355,59 5.594,60 1.173,61 1.173,63 4.605,64 0.074,65 0.29,66 4.54,67 4.54,68 7.54,69 4.54,70 1.484,71 28.72,72 6,74 2.093,75 1.07,76 0.187,78 1.287,79 0.925,80 0.8,81 7,82 29,83 20.619,84 0.179,85 11.972,86 5.201,87 2.471,88 1.952,89 1,90 2.398,91 18.579,92 20.028,93 12.911,94 -0.005,95 1.5,96 5.075,97 12.383,98 21.529,99 15.44,100 23,101 5.165,102 9.385,103 2.824,104 2.824,105 2.267,106 11.488,107 3.546,108 1,109 1.337,110 2.275,111 0.946,112 1,113 2.275,114 5,115 1.289,116 1.289,117 1.765,118 2.727,119 2.727,120 17.066,121 -0.067,122 0.113,123 4.977,124 10.604,125 0.074,126 2,127 5.182,128 0.236,129 1.73,130 1,131 29,132 5.366,133 3.784,134 3.784,135 43,136 4.466,137 62.139,139 20,140 5.428,141 5.15}
{0 CHEMBL104062,2 6,3 0.574,5 7.413,6 5.352,8 1.626,9 3.93,10 0.038,11 0.714,14 2,15 1.489,19 4.085,20 1.622,21 1,23 7.843,24 9.691,25 10.66,29 1.175,30 2.628,31 4.276,32 1.35,34 0.072,35 1.392,36 20,38 6.043,39 13.445,40 13.099,41 0.616,42 117.831,43 1.1,44 5.55,45 7.257,47 0.095,48 0.036,49 0.4,50 5.463,51 12.765,52 4.378,53 1,56 0.749,58 0.921,59 5.407,60 0.578,61 0.578,62 1,63 3.741,64 0.1,65 0.285,66 4.196,67 4.196,68 7.196,69 4.196,70 0.994,71 20.69,72 5,73 31.278,74 1.459,75 0.504,76 0.22,78 0.666,79 0.627,80 0.75,81 3,82 22,83 8.649,84 0.178,85 11.685,86 4.976,87 1.491,88 0.851,90 3.045,91 17.685,92 19.022,93 12.616,94 0.069,95 0.895,96 4.836,97 12.091,98 20.453,99 11.017,100 10,101 4.997,102 5.503,103 1.372,104 1.372,105 1.587,106 11.194,107 3.145,108 -0.162,109 -0.221,110 -0.409,111 -0.161,112 -0.162,113 -0.409,114 4,115 0.618,116 0.618,117 1.6,118 0.467,119 0.467,120 16.229,121 0.09,122 0.113,123 4.644,124 10.303,125 0.072,127 4.868,128 0.297,129 1.586,131 22,132 5.142,133 3.466,134 3.466,135 31,136 4.143,137 45.951,138 1,139 21,140 4.729,141 6.155}
{0 CHEMBL104409,1 1,2 5,3 0.345,4 1,5 7.402,6 5.352,8 1.647,9 3.952,10 0.035,11 0.65,14 2,15 1.462,19 4.092,20 1.64,23 7.65,24 9.558,25 10.477,29 1.136,30 2.477,31 4.165,32 1.165,34 0.047,35 1.253,36 20,38 5.903,39 13.262,40 12.939,41 0.64,42 100.384,43 1.1,44 5.443,45 7.139,47 0.096,48 0.016,49 0.4,50 5.306,51 10.732,52 4.272,53 1,56 0.754,58 1.022,59 5.405,60 0.11,61 0.11,62 1,63 2.791,64 0.1,65 0.281,66 4.163,67 4.163,68 7.163,69 4.163,70 0.801,71 19.186,72 4,74 1.112,75 0.109,76 0.228,78 0.618,79 0.383,80 0.75,81 2,82 22,83 8.715,84 0.18,85 11.528,86 4.878,87 0.974,88 0.379,90 3.045,91 17.503,92 18.824,93 12.472,94 0.074,95 0.15,96 4.663,97 11.943,98 20.258,99 10.234,100 11,101 4.796,102 4.501,103 0.28,104 0.28,105 1.567,106 11.051,107 3.031,108 -0.654,109 -0.879,110 -1.614,111 -0.666,112 -0.654,113 -1.614,114 4,115 0.618,116 0.618,117 1.527,118 -1.041,119 -1.041,120 16.04,121 0.08,122 0.115,123 4.477,124 10.164,125 0.074,127 4.649,128 0.287,129 1.487,131 20,132 4.86,133 3.367,134 3.367,135 28,136 4.043,137 41.53,139 20,140 4.682,141 6.06}
{0 CHEMBL104466,2 3,3 0.575,8 1.54,9 3.912,10 0.053,11 0.768,13 2,14 2,15 1.194,17 9.036,18 2,19 4.095,20 1.525,21 8,22 4,23 7.584,24 9.444,25 10.535,26 3.576,29 1.457,30 2.371,31 3.979,32 1.064,34 -0.2,35 1.182,36 16,38 5.815,39 13.482,40 12.632,41 0.67,43 1.125,44 5.178,45 6.895,47 0.107,48 0.051,49 1,50 5.125,51 18.776,52 4.159,55 1,56 1.063,57 6,58 1.473,59 5.508,60 -0.505,61 -0.505,63 2.839,64 0.125,65 0.284,66 4.434,67 4.434,68 7.434,69 4.434,70 0.066,71 16.008,72 4,74 0.428,75 -0.464,76 0.25,78 -0.227,79 0.593,80 0.667,81 4,82 18,83 11.259,84 0.186,85 11.225,86 4.582,87 0.511,89 2,91 17.953,92 19.396,93 12.223,94 -0.004,95 -0.661,96 4.419,97 11.683,98 20.896,99 8.803,100 10,101 4.533,102 5.731,103 -1.237,104 -1.237,105 0.646,106 10.807,107 3.206,108 -1,109 -1,110 -2.846,111 -0.995,112 -1,113 -2.846,114 3,115 -0.269,116 -0.269,117 1.467,118 -1.827,119 -1.827,120 16.435,121 -0.083,122 0.117,123 4.317,124 9.935,125 0.077,126 2,127 4.543,128 0.29,129 1.477,130 2,131 16,132 4.575,133 3.219,134 3.219,135 24,136 3.892,137 33.002,139 8,140 4.899,141 4.301}
{0 CHEMBL104640,2 6,3 0.565,5 7.413,6 5.352,8 1.626,9 3.999,10 0.036,11 0.717,14 2,15 1.502,19 4.103,20 1.618,21 1,23 8.371,24 10.131,25 11.354,29 1.237,30 2.837,31 4.564,32 1.356,34 0.051,35 1.379,36 20,38 6.074,39 14.324,40 13.479,41 0.607,42 117.472,43 1.1,44 5.585,45 7.489,47 0.088,48 0.141,49 0.4,50 5.571,51 14.898,52 4.662,53 1,56 0.763,58 0.91,59 5.643,60 0.573,61 0.573,62 1,63 4.317,64 0.1,65 0.285,66 4.661,67 4.661,68 7.661,69 4.661,70 1,71 20.285,72 5,73 37.324,74 1.459,75 0.504,76 0.222,78 0.795,79 0.605,80 0.75,81 2,82 22,83 8.84,84 0.177,85 12.003,86 5.036,87 1.443,88 0.649,90 3.045,91 18.823,92 20.307,93 12.693,94 0.068,95 0.892,96 4.836,97 12.171,98 21.821,99 10.499,100 13,101 4.997,102 5.494,103 1.372,104 1.372,105 1.583,106 11.268,107 3.112,108 -0.369,109 -0.511,110 -0.908,111 -0.367,112 -0.369,113 -0.908,114 4,115 0.618,116 0.618,117 1.572,118 0.147,119 0.147,120 17.306,121 0.028,122 0.112,123 4.682,124 10.376,125 0.07,127 5.247,128 0.311,129 1.562,131 24,132 5.142,133 3.466,134 3.466,135 31,136 4.143,137 45.743,138 1,139 20,140 4.722,141 5.149}
{0 CHEMBL104963,1 1,2 5,3 0.383,4 1,5 7.687,6 5.687,8 1.626,9 3.943,10 0.031,11 0.65,14 1,15 1.462,19 4.093,20 1.616,23 7.724,24 9.574,25 10.579,29 1.148,30 2.439,31 4.275,32 1.197,34 0.09,35 1.367,36 19,38 5.824,39 13.38,40 12.968,41 0.63,42 88.306,43 1.105,44 5.447,45 7.123,47 0.09,48 0.035,49 0.4,50 5.283,51 9.048,52 4.413,53 1,56 0.691,58 0.883,59 5.407,60 -0.065,61 -0.065,62 2,63 3.298,64 0.105,65 0.275,66 4.196,67 4.196,68 7.196,69 4.196,70 0.618,71 17.8,72 3,73 31.278,74 0.948,75 -0.065,76 0.237,78 0.618,79 0.583,80 0.75,81 2,82 21,83 7.127,84 0.177,85 11.542,86 4.875,87 0.808,88 0.184,90 3.434,91 17.616,92 18.971,93 12.5,94 0.083,95 -0.091,96 4.682,97 11.978,98 20.396,99 9.282,100 8,101 4.82,102 4.569,103 -0.167,104 -0.167,105 1.459,106 11.076,107 2.921,108 -0.838,109 -1.099,110 -2.207,111 -0.843,112 -0.838,113 -2.207,114 4,115 0.558,116 0.558,117 1.504,118 -1.707,119 -1.707,120 16.173,121 0.107,122 0.111,123 4.5,124 10.178,125 0.069,127 4.649,128 0.32,129 1.49,131 20,132 4.844,133 3.296,134 3.296,135 26,136 3.97,137 38.285,138 1,139 18,140 4.488,141 7.585}
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{0 CHEMBL1980329,1 1,2 6,3 0.238,4 1,5 7.402,6 5.352,8 1.647,9 3.962,10 0.033,11 0.649,14 2,15 1.462,19 4.103,20 1.639,23 7.69,24 9.587,25 10.539,29 1.207,30 2.433,31 4.203,32 0.959,34 0.109,35 1.244,36 20,38 5.965,39 13.344,40 12.932,41 0.63,42 86.625,43 1.1,44 5.459,45 7.136,47 0.098,48 0.002,49 0.6,50 5.248,51 9.877,52 4.384,53 1,56 0.725,58 0.919,59 5.383,60 -0.187,61 -0.187,62 1,63 2.761,64 0.1,65 0.278,66 4.191,67 4.191,68 7.191,69 4.191,70 0.53,71 17.8,72 5,74 0.778,75 -0.179,76 0.237,78 0.143,79 0.383,80 0.75,81 1,82 22,83 8.337,84 0.177,85 11.514,86 4.867,87 0.832,88 0.155,90 3.045,91 17.605,92 18.941,93 12.475,94 0.098,95 -0.239,96 4.718,97 11.953,98 20.378,99 9.223,100 10,101 4.868,102 4.187,103 -0.454,104 -0.454,105 0.943,106 11.052,107 2.931,108 -0.842,109 -1.048,110 -2.254,111 -0.833,112 -0.842,113 -2.254,114 4,115 -0.045,116 -0.045,117 1.499,118 -1.561,119 -1.561,120 16.14,121 0.131,122 0.111,123 4.533,124 10.157,125 0.071,127 4.663,128 0.284,129 1.467,131 20,132 4.984,133 3.296,134 3.296,135 26,136 3.97,137 38.534,139 19,140 4.594,141 7.7}
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{0 CHEMBL1998253,2 2,3 0.059,8 1.308,9 3.628,10 0.05,11 0.469,12 2.099,14 2,15 1.023,16 1,19 4.12,20 1.254,21 2,23 7.501,24 9.403,25 10.577,29 1.3,30 1.908,31 3.771,32 0.646,34 -0.025,35 0.934,36 10,38 5.608,39 13.619,40 12.487,41 0.607,43 1.2,44 5.03,45 6.735,47 0.106,48 0.03,49 0.6,50 4.068,51 10.682,52 4.322,56 0.949,58 1.197,59 5.211,60 -1.806,61 -1.806,63 1.696,64 0.2,65 0.289,66 4.543,67 4.543,68 7.543,69 4.543,70 -1.558,71 9.652,72 4,74 -0.858,75 -1.729,76 0.322,78 -1.686,79 0.307,80 0.5,81 2,82 12,83 7.365,84 0.177,85 11.035,86 4.398,87 -0.5,88 -1,91 18.194,92 19.679,93 11.853,94 0.036,95 -2.486,96 3.555,97 11.321,98 21.205,99 5.424,100 12,101 3.367,102 2.661,103 -5.367,104 -5.367,105 -0.661,106 10.434,107 2.845,108 -2,109 -3,110 -7.272,111 -2,112 -2,113 -7.272,114 2,115 -1.648,116 -1.648,117 1.239,118 -5.925,119 -5.925,120 16.651,121 0.028,122 0.115,123 3.714,124 9.553,125 0.075,126 2,127 4.311,128 0.27,129 1.27,131 11,132 2.708,133 2.773,134 2.773,135 15,136 3.434,137 21.804,139 10,140 4.247,141 5.3}
{0 CHEMBL1998432,1 1,2 4,3 0.496,4 1,5 6.843,6 4.727,8 1.611,9 3.964,10 0.031,11 0.797,13 2,15 1.387,17 13.282,18 2,19 4.165,20 1.626,21 6,22 4,23 7.778,24 9.679,25 10.783,26 4.223,29 1.464,30 2.445,31 4.152,32 1.089,34 -0.099,35 1.217,36 21,37 1,38 5.986,39 13.77,40 12.847,41 0.688,42 89.587,43 1.095,44 5.461,45 7.11,47 0.103,48 0.014,49 0.8,50 5.275,51 16.631,52 4.291,53 1,55 1,56 0.86,57 6,58 1.336,59 5.6,60 -0.393,61 -0.393,63 3.513,64 0.095,65 0.283,66 4.535,67 4.535,68 7.535,69 4.535,70 0.223,71 18.493,74 0.548,75 -0.248,76 0.233,77 1,78 0.146,79 0.771,80 0.75,81 6,82 23,83 12.336,84 0.176,85 11.427,86 4.811,87 0.737,88 0.321,89 1,90 2.398,91 18.285,92 19.749,93 12.446,94 0.057,95 -0.416,96 4.625,97 11.918,98 21.262,99 9.726,100 5,101 4.796,102 6.089,103 -0.928,104 -0.928,105 0.94,106 11.021,107 3.258,108 -0.609,109 -0.767,110 -1.655,111 -0.568,112 -0.609,113 -1.655,114 4,117 1.488,118 -1.028,119 -1.028,120 16.756,121 0.039,122 0.115,123 4.522,124 10.143,125 0.073,126 2,127 4.677,128 0.29,129 1.504,131 20,132 4.898,133 3.332,134 3.332,135 27,136 4.007,137 37.944,139 11,140 4.976,141 7.4}
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{0 CHEMBL2001257,2 7,3 0.678,5 6.88,6 4.727,8 1.895,9 3.968,10 0.035,11 1.006,12 2.269,14 2,15 1.682,16 1,17 4.41,19 4.13,20 1.891,21 6,22 3,23 8.139,24 10.062,25 11.145,26 2.674,29 1.18,30 2.629,31 4.158,32 1.256,34 -0.02,35 1.439,36 21,38 6.39,39 14.154,40 13.294,41 0.621,42 161.439,43 1.095,44 5.838,45 7.503,47 0.092,48 0.05,49 0.8,50 5.535,51 25.313,52 4.144,53 1,56 0.885,58 1.152,59 5.598,60 1,61 1,62 1,63 4.865,64 0.095,65 0.287,66 4.712,67 4.712,68 7.712,69 4.712,70 1.167,71 25.255,72 4,73 31.278,74 2,75 1,76 0.199,78 1,79 0.869,80 0.75,81 5,82 23,83 15.76,84 0.183,85 11.871,86 5.188,87 2.273,88 1.591,90 2.398,91 18.743,92 20.237,93 12.733,94 0.045,95 1.5,96 4.92,97 12.205,98 21.783,99 14.048,100 14,101 5.1,102 7.873,103 2.275,104 2.275,105 2.02,106 11.309,107 3.407,108 0.618,109 0.618,110 0.791,111 0.6,112 0.618,113 0.791,114 4,115 1.07,116 1.07,117 1.619,118 2.054,119 2.054,120 17.185,121 0.055,122 0.118,123 4.787,124 10.427,125 0.074,126 2,127 5.037,128 0.252,129 1.638,131 23,132 5.273,133 3.664,134 3.664,135 38,136 4.344,137 53.454,138 1,139 20,140 5.134,141 5.8}
{0 CHEMBL2001288,2 2,4 1,5 7.719,6 5.533,8 1.381,9 3.823,10 0.044,11 0.352,13 4,15 1.12,17 12.205,18 3,19 4.151,20 1.416,21 5,22 1,23 7.807,24 9.612,25 10.874,26 -0.401,27 1.346,28 1,29 1.157,30 2.231,31 4.156,32 0.677,34 -0.097,35 0.888,36 14,38 5.734,39 13.942,40 12.897,41 0.713,42 71.135,43 1.143,44 5.267,45 6.934,47 0.108,48 -0.011,49 1,50 5.248,51 5.999,52 4.809,53 1,56 0.706,57 3,58 1.299,59 5.631,60 -0.849,61 -0.849,63 2.962,64 0.143,65 0.267,66 4.69,67 4.69,68 7.69,69 4.69,70 -0.224,71 14.046,73 56.782,74 -0.029,75 -0.724,76 0.267,77 1,78 -0.488,79 0.122,80 0.667,81 5,82 16,83 6.206,84 0.169,85 11.433,86 4.631,87 -0.017,88 -0.464,90 3.045,91 18.575,92 20.101,93 12.593,94 0.078,95 -0.943,96 4.585,97 12.092,98 21.65,99 7.413,100 5,101 4.663,102 5.227,103 -2.263,104 -2.263,105 0.175,106 11.16,107 2.845,108 -1.366,109 -1.478,110 -3.44,111 -1.234,112 -1.366,113 -3.44,114 3,115 -0.573,116 -0.573,117 1.221,118 -3.031,119 -3.031,120 17.019,121 0.045,122 0.105,123 4.477,124 10.234,125 0.066,126 2,127 4.663,128 0.401,129 1.204,130 3,131 18,132 4.357,133 3.135,134 3.135,135 22,136 3.807,137 29.914,139 5,140 4.608,141 5.8}
{0 CHEMBL2001485,2 8,3 0.691,4 1,5 7.445,6 5.352,8 1.916,9 3.986,10 0.038,11 1.035,12 1.553,13 1,14 2,15 1.704,16 1,17 8.897,18 1,19 4.164,20 1.923,21 5,23 8.372,24 10.224,25 11.335,27 1.662,28 1,29 1.191,30 2.765,31 4.321,32 1.313,34 -0.036,35 1.466,36 26,38 6.518,39 14.307,40 13.482,41 0.647,42 176.669,43 1.077,44 5.982,45 7.666,47 0.095,48 0.054,49 0.5,50 5.776,51 25.795,52 4.476,53 1,56 0.875,58 1.192,59 5.614,60 1.048,61 1.048,62 1,63 5.444,64 0.077,65 0.282,66 4.726,67 4.726,68 7.726,69 4.726,70 1.574,71 28.263,72 4,73 31.278,74 2,75 1,76 0.188,78 1.131,79 0.798,80 0.8,81 5,82 28,83 15.45,84 0.179,85 12.052,86 5.352,87 2.5,88 1.991,89 2,90 3.045,91 18.851,92 20.341,93 13.009,94 0.035,95 1.5,96 5.231,97 12.49,98 21.878,99 14.897,100 15,101 5.412,102 8.108,103 2.731,104 2.731,105 2.112,106 11.584,107 3.5,108 1,109 1.383,110 2.275,111 0.979,112 1,113 2.275,114 5,115 1.141,116 1.141,117 1.703,118 2.275,119 2.275,120 17.309,121 0.037,122 0.11,123 5.05,124 10.684,125 0.07,126 2,127 5.293,128 0.267,129 1.708,130 2,131 30,132 5.677,133 3.784,134 3.784,135 43,136 4.466,137 62.726,138 1,139 24,140 5.199,141 5.8}
{0 CHEMBL2001539,2 4,4 1,5 7.298,6 5.283,8 1.237,9 3.66,10 0.037,11 0.376,15 1.032,17 4.062,19 4.1,20 1.215,21 2,22 2,23 7.204,24 9.043,25 10.145,26 2.318,29 1.279,30 1.68,31 3.86,32 0.011,33 36.903,34 0.262,35 0.861,36 12,38 5.085,39 13.011,40 12.347,41 0.625,42 54.048,43 1.333,44 4.888,45 6.52,46 1,47 0.093,48 0.066,49 0.8,50 3.726,51 7.886,52 4.489,53 2,56 0.709,57 2,58 0.739,59 5.385,60 -2,61 -2,62 2,63 2.624,64 0.333,65 0.264,66 4.194,67 4.194,68 6.956,69 4.194,70 -1.707,71 9.94,73 31.278,74 -1,75 -1.895,76 0.317,78 -1.782,79 0.129,80 0.333,81 1,82 16,83 5.363,84 0.169,85 10.904,86 4.273,87 -0.878,90 3.045,91 17.303,92 18.702,93 11.933,94 0.092,95 -2.549,96 3.892,97 11.411,98 20.135,99 4.985,100 1,101 3.892,102 3.183,103 -5.536,104 -5.536,105 -0.847,106 10.511,107 2.32,114 3,115 -1.757,116 -1.757,117 0.969,118 -7.212,119 -7.212,120 15.857,121 0.139,122 0.11,123 3.85,124 9.611,125 0.071,127 4.007,128 0.369,129 1.051,131 13,132 3.135,133 2.708,134 2.708,135 14,136 3.367,137 20.225,138 1,139 7,140 3.978,141 4.8}
{0 CHEMBL2001547,2 8,3 0.54,4 1,5 7.081,6 4.844,8 1.841,9 3.896,10 0.043,11 0.902,14 2,15 1.659,17 17.765,19 4.209,20 1.839,21 6,22 2,23 8.247,24 10.1,25 11.251,26 0.876,29 1.156,30 2.737,31 4.266,32 1.184,34 -0.187,35 1.429,36 21,37 1,38 6.454,39 14.259,40 13.362,41 0.677,42 122.389,43 1.095,44 5.824,45 7.488,47 0.109,48 0.03,49 0.8,50 6.085,51 18.808,52 4.602,53 1,55 1,56 0.95,58 1.207,59 5.623,60 0.635,61 0.635,62 1,63 3.264,64 0.095,65 0.287,66 4.73,67 4.73,68 7.73,69 4.73,70 0.965,71 22.076,72 3,74 1.555,75 0.583,76 0.213,77 1,78 0.876,79 0.724,80 0.75,81 4,82 23,83 11.302,84 0.17,85 11.913,86 5.138,87 1.593,88 0.919,89 1,90 2.398,91 18.837,92 20.336,93 12.891,94 -0.003,95 0.698,96 5.198,97 12.386,98 21.878,99 11.75,100 6,101 5.375,102 6.766,103 1.518,104 1.518,105 1.824,106 11.456,107 3.3,114 4,115 0.882,116 0.882,117 1.643,118 0.61,119 0.61,120 17.287,121 -0.059,122 0.105,123 5.004,124 10.542,125 0.066,126 1,127 5.156,128 0.296,129 1.672,130 1,131 25,132 5.517,133 3.555,134 3.555,135 34,136 4.234,137 48.536,139 16,140 5.054,141 5.8}
{0 CHEMBL2001584,2 7,3 0.9,8 1.911,9 3.982,10 0.038,11 0.985,12 3.169,14 1,15 1.719,16 2,17 4.366,19 4.085,20 1.922,21 10,22 5,23 8.172,24 9.975,25 10.952,26 1.759,29 1.287,30 2.917,31 4.447,32 1.562,34 -0.154,35 1.653,36 30,38 6.29,39 13.704,40 13.529,41 0.648,43 1,44 5.762,45 7.547,47 0.095,48 0.04,49 0.9,50 6.365,51 31.96,52 4.462,55 1,56 0.982,58 1.356,59 5.525,60 1.448,61 1.448,63 5.091,65 0.286,66 4.156,67 4.156,68 7.156,69 4.156,70 1.922,71 31.323,72 5,74 2.379,75 1.322,76 0.179,78 1.856,79 0.95,80 1,81 6,82 30,83 21.913,84 0.182,85 12.106,86 5.269,87 2.613,88 2,89 3,91 17.896,92 19.209,93 13.02,94 0.009,95 1.669,96 5.198,97 12.488,98 20.626,99 16.82,100 23,101 5.252,102 10.078,103 3.304,104 3.304,105 2.444,106 11.599,107 3.658,108 1,109 1.5,110 2.275,111 1,112 1,113 2.275,114 5,115 1.477,116 1.477,117 1.848,118 3.121,119 3.121,120 16.454,121 -0.034,122 0.117,123 5.056,124 10.721,125 0.074,127 5.255,128 0.243,129 1.841,130 2,131 32,132 5.521,133 3.892,134 3.892,135 48,136 4.575,137 70.521,139 24,140 5.461,141 5.3}
{0 CHEMBL2001613,2 2,4 1,5 6.804,6 4.727,8 0.98,9 3.454,10 0.061,14 1,15 0.731,17 3.864,19 4.119,20 0.941,23 7.427,24 9.3,25 10.489,29 1.121,30 1.661,31 3.62,34 0.336,35 0.079,36 9,38 5.332,39 13.513,40 12.321,41 0.614,42 32.833,43 1.222,44 4.875,45 6.628,47 0.097,48 -0.013,49 0.4,50 4.034,51 2.318,52 4.383,53 1,56 0.544,58 0.737,59 5.033,63 1.33,64 0.222,65 0.288,66 4.493,67 4.493,68 7.493,69 4.493,70 -2,71 7.86,72 3,76 0.357,80 0.5,81 2,82 11,83 2.675,84 0.183,85 10.875,86 4.243,90 2.398,91 18.054,92 19.532,93 11.572,94 0.124,96 3.135,97 11.032,98 21.046,99 4.222,100 3,101 2.996,102 2.377,105 -1,106 10.157,107 1.734,114 2,115 -2,116 -2,117 0.658,120 16.525,121 0.163,122 0.115,123 3.258,124 9.284,125 0.082,126 2,127 4.227,128 0.48,129 0.641,131 10,133 2.565,134 2.565,135 12,136 3.219,137 16.555,139 7,140 3.635,141 4.6}
{0 CHEMBL2001751,1 1,2 7,3 0.687,4 1,5 7.847,6 5.778,8 1.816,9 4.083,10 0.031,11 0.901,13 1,14 2,15 1.673,17 4.361,18 1,19 4.168,20 1.819,21 3,22 2,23 8.227,24 10.134,25 11.184,26 1.067,29 1.259,30 2.817,31 4.527,32 1.381,34 0.035,35 1.597,36 29,38 6.433,39 14.105,40 13.37,41 0.653,42 315.647,43 1.138,44 5.941,45 7.605,47 0.102,48 0.039,49 0.6,50 5.551,51 19.374,52 4.363,53 2,56 0.801,58 1.044,59 5.464,60 1.155,61 1.155,62 2,63 4.527,64 0.138,65 0.276,66 4.474,67 4.474,68 7.474,69 4.474,70 1.254,71 28.433,72 5,74 2.144,75 1.14,76 0.188,78 1.217,79 0.784,80 0.667,81 6,82 33,83 14.622,84 0.176,85 11.945,86 5.323,87 2.588,88 1.744,89 1,90 3.434,91 18.526,92 19.947,93 12.915,94 0.065,95 1.671,96 5.147,97 12.389,98 21.432,99 14.701,100 14,101 5.288,102 7.289,103 2.748,104 2.748,105 2.23,106 11.493,107 3.444,108 0.748,109 1.094,110 1.93,111 0.743,112 0.748,113 1.93,114 6,115 1.229,116 1.229,117 1.756,118 2.551,119 2.551,120 17.023,121 0.046,122 0.112,123 4.963,124 10.601,125 0.073,126 2,127 5.112,128 0.256,129 1.733,131 30,132 5.429,133 3.738,134 3.738,135 41,136 4.419,137 60.541,139 26,140 5.133,141 7.3}
{0 CHEMBL2001920,2 3,5 7.609,6 5.476,8 1.205,9 3.693,10 0.042,11 0.207,14 2,15 1.046,19 4.042,20 1.165,23 7.55,24 9.3,25 10.39,29 1.119,30 2.148,31 4.121,32 0.719,34 0.124,35 0.805,36 14,38 5.615,39 13.228,40 12.845,41 0.639,42 61.723,43 1.143,44 5.099,45 6.812,47 0.117,48 -0.017,49 0.4,50 4.979,51 9.144,52 4.759,53 1,56 0.49,58 0.797,59 5.487,60 -1,61 -1,63 3.325,64 0.143,65 0.278,66 4.259,67 4.259,68 7.259,69 4.259,70 0.144,71 12.948,72 3,73 77.412,74 -0.07,75 -0.954,76 0.278,78 -0.381,79 0.109,80 0.667,81 1,82 16,83 3.47,84 0.166,85 11.4,86 4.491,87 -0.018,88 -0.661,89 1,90 3.045,91 17.543,92 18.938,93 12.427,94 0.107,95 -1.366,96 4.419,97 11.919,98 20.39,99 6.698,100 3,101 4.431,102 4.282,103 -2.936,104 -2.936,105 0.131,106 10.996,107 2.604,108 -1.599,109 -2,110 -4.658,111 -1.432,112 -1.599,113 -4.658,114 3,115 -0.777,116 -0.777,117 0.964,118 -3.322,119 -3.322,120 16.078,121 0.094,122 0.105,123 4.317,124 10.079,125 0.069,127 4.62,128 0.465,129 1.007,131 17,132 4.078,133 3.045,134 3.045,135 20,136 3.714,137 28.478,138 1,139 11,140 4.009,141 5.8}
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{0 CHEMBL2001998,2 8,3 0.825,4 1,5 7.644,6 5.476,8 1.786,9 3.946,10 0.033,11 1.046,12 4.229,14 1,15 1.546,16 2,17 8.692,19 4.161,20 1.783,21 9,22 8,23 7.924,24 9.773,25 10.808,26 6.654,29 1.33,30 2.635,31 4.214,32 1.273,33 178.213,34 -0.165,35 1.512,36 24,38 6.162,39 13.674,40 13.196,41 0.676,42 128.276,43 1.167,44 5.637,45 7.303,46 1,47 0.098,48 0.067,49 0.8,50 5.535,51 24.689,52 4.304,53 1,56 0.968,57 1,58 1.377,59 5.66,60 1,61 1,62 1,63 4.632,64 0.167,65 0.274,66 4.39,67 4.39,68 7.39,69 4.39,70 1.247,71 25.948,72 3,74 1.963,75 0.961,76 0.196,78 1.146,79 0.845,80 0.6,81 8,82 28,83 16.159,84 0.18,85 11.778,86 5.068,87 2.402,88 1.52,89 1,90 3.045,91 18.038,92 19.444,93 12.864,94 -0.005,95 1.391,96 5.176,97 12.346,98 20.916,99 13.817,100 20,101 5.288,102 7.987,103 2.275,104 2.275,105 1.967,106 11.437,107 3.496,108 0.581,109 0.952,110 1.321,111 0.541,112 0.581,113 1.321,114 5,115 1,116 1,117 1.66,118 2.275,119 2.275,120 16.551,121 -0.071,122 0.111,123 4.984,124 10.534,125 0.07,127 4.89,128 0.264,129 1.671,130 2,131 26,132 5.545,133 3.664,134 3.664,135 38,136 4.344,137 54.35,139 15,140 5.227,141 5.8}
{0 CHEMBL2002099,1 1,2 2,3 0.55,4 2,5 7.609,6 5.638,8 1.697,9 4.016,10 0.02,11 0.853,13 2,15 1.473,17 13.183,18 1,19 4.174,20 1.708,21 7,22 5,23 7.752,24 9.634,25 10.767,26 5.413,27 1.967,28 1,29 1.375,30 2.452,31 4.226,32 1.271,34 -0.125,35 1.367,36 19,38 5.872,39 13.744,40 12.888,41 0.674,42 89.897,43 1.105,44 5.449,45 7.063,47 0.101,48 0.074,49 0.8,50 5.228,51 15.972,52 4.294,53 1,54 1,56 0.944,57 4,58 1.309,59 5.535,60 0.315,61 0.315,63 3.656,64 0.105,65 0.272,66 4.516,67 4.516,68 7.516,69 4.516,70 0.618,71 18.087,74 1.273,75 0.301,76 0.235,77 1,78 0.443,79 0.604,80 0.75,81 8,82 21,83 11.904,84 0.171,85 11.462,86 4.804,87 0.902,88 0.209,89 1,90 3.434,91 18.234,92 19.698,93 12.483,94 0.003,95 0.42,96 4.625,97 11.959,98 21.202,99 9.756,100 2,101 4.71,102 5.971,103 0.628,104 0.628,105 1.389,106 11.061,107 3.048,108 -0.743,109 -1.039,110 -1.489,111 -0.705,112 -0.743,113 -1.489,114 4,115 0.447,116 0.447,117 1.568,118 -1.225,119 -1.225,120 16.718,121 -0.046,122 0.112,123 4.489,124 10.164,125 0.071,126 2,127 4.543,128 0.271,129 1.585,130 3,131 19,132 4.787,133 3.296,134 3.296,135 26,136 3.97,137 37.51,139 9,140 4.912,141 6.8}
{0 CHEMBL2002105,2 2,4 1,5 6.804,6 4.727,8 0.929,9 3.469,10 0.061,14 1,15 0.603,17 7.91,19 4.121,20 0.904,23 7.427,24 9.3,25 10.489,29 1.021,30 1.636,31 3.62,34 0.157,35 0.411,36 9,38 5.332,39 13.513,40 12.321,41 0.659,42 32.833,43 1.222,44 4.875,45 6.628,47 0.097,48 -0.014,49 0.4,50 4.034,51 3.163,52 4.383,53 1,56 0.526,58 0.98,59 5.033,63 1.224,64 0.222,65 0.288,66 4.493,67 4.493,68 7.493,69 4.493,70 -2,71 7.86,76 0.357,80 0.5,81 2,82 11,83 2.156,84 0.183,85 10.875,86 4.243,90 2.398,91 18.054,92 19.532,93 11.572,94 0.139,96 3.135,97 11.032,98 21.046,99 4.222,100 1,101 2.996,102 2.316,105 -1.042,106 10.157,107 1.76,114 2,115 -2,116 -2,117 0.767,120 16.525,121 0.159,122 0.115,123 3.258,124 9.284,125 0.082,126 2,127 4.227,128 0.451,129 0.78,131 10,133 2.565,134 2.565,135 12,136 3.219,137 16.398,139 6,140 3.607,141 4.5}
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{0 CHEMBL2002346,1 1,2 4,3 0.277,4 1,5 6.843,6 4.727,8 1.627,9 3.958,10 0.029,11 0.668,15 1.405,17 12.996,19 4.164,20 1.64,21 1,22 1,23 7.74,24 9.746,25 10.764,26 0.729,29 1.157,30 2.442,31 4.053,32 0.949,34 -0.144,35 1.21,36 21,38 6.067,39 13.75,40 12.829,41 0.674,42 86.441,43 1.095,44 5.533,45 7.195,47 0.101,48 0.049,49 0.6,50 5.214,51 11.748,52 4.099,53 1,55 1,56 0.819,58 1.231,59 5.419,60 -0.405,61 -0.405,63 2.558,64 0.095,65 0.281,66 4.531,67 4.531,68 7.531,69 4.531,70 0.484,71 18.375,72 1,74 0.551,75 -0.386,76 0.233,77 1,78 -0.188,79 0.488,80 0.75,81 5,82 23,83 8.547,84 0.181,85 11.41,86 4.906,87 0.797,88 0.134,89 1,90 2.398,91 18.273,92 19.721,93 12.302,94 0.025,95 -0.511,96 4.477,97 11.766,98 21.239,99 9.872,100 10,101 4.595,102 4.128,103 -0.978,104 -0.978,105 1.422,106 10.885,107 2.948,108 -0.837,109 -1.164,110 -1.976,111 -0.81,112 -0.837,113 -1.976,114 4,115 0.482,116 0.482,117 1.451,118 -1.515,119 -1.515,120 16.732,121 -0.014,122 0.118,123 4.344,124 10.009,125 0.078,126 2,127 4.559,128 0.272,129 1.459,131 18,132 4.663,133 3.296,134 3.296,135 26,136 3.97,137 37.215,139 17,140 4.624,141 7.5}
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{0 CHEMBL2002690,2 5,3 0.257,5 6.843,6 4.727,8 1.645,9 4.015,10 0.03,11 0.488,14 2,15 1.423,17 4.271,19 4.079,20 1.679,23 7.91,24 9.853,25 10.901,29 1.195,30 2.372,31 4.378,32 0.927,34 0.053,35 1.092,36 21,38 6.127,39 13.866,40 13.003,41 0.635,42 107.37,43 1.095,44 5.622,45 7.302,47 0.105,48 0.026,49 0.4,50 5.262,51 11.226,52 4.201,53 1,56 0.721,58 0.962,59 5.432,60 0.065,61 0.065,62 1,63 3.582,64 0.095,65 0.284,66 4.51,67 4.51,68 7.51,69 4.51,70 0.77,71 19.879,72 6,73 31.278,74 1.01,75 0.06,76 0.224,78 0.614,79 0.298,80 0.75,81 1,82 23,83 8.778,84 0.179,85 11.582,86 4.984,87 1.17,88 0.501,90 2.398,91 18.354,92 19.794,93 12.454,94 0.084,95 0.077,96 4.533,97 11.918,98 21.299,99 10.734,100 12,101 4.585,102 4.855,103 0.171,104 0.171,105 1.48,106 11.035,107 3,108 -0.446,109 -0.565,110 -1.116,111 -0.418,112 -0.446,113 -1.116,114 4,115 0.623,116 0.623,117 1.302,118 -0.558,119 -0.558,120 16.828,121 0.117,122 0.117,123 4.454,124 10.161,125 0.077,126 2,127 4.796,128 0.309,129 1.292,130 1,131 20,132 4.644,133 3.401,134 3.401,135 29,136 4.078,137 41.204,138 1,139 20,140 4.677,141 5.3}
{0 CHEMBL2002702,1 1,2 5,3 0.195,4 1,5 7.591,6 5.476,8 1.559,9 3.951,10 0.029,11 0.614,14 1,15 1.345,19 4.097,20 1.579,21 2,23 7.549,24 9.381,25 10.43,29 1.12,30 2.184,31 4.267,32 0.746,34 0.032,35 1.013,36 14,38 5.591,39 13.267,40 12.763,41 0.625,42 64.336,43 1.143,44 5.17,45 6.883,47 0.102,48 0.031,49 0.6,50 4.807,51 11.203,52 4.528,53 1,56 0.843,58 1.07,59 5.351,60 -1,61 -1,62 2,63 2.326,64 0.143,65 0.281,66 4.159,67 4.159,68 7.159,69 4.159,70 -0.612,71 13.235,72 2,74 0.016,75 -1.009,76 0.275,78 -0.837,79 0.265,80 0.667,81 1,82 16,83 7.318,84 0.174,85 11.328,86 4.581,87 0.151,88 -0.631,90 3.045,91 17.541,92 18.906,93 12.254,94 0.062,95 -1.383,96 4.22,97 11.731,98 20.336,99 6.967,100 6,101 4.304,102 3.635,103 -2.439,104 -2.439,105 0.144,106 10.83,107 2.942,108 -1.635,109 -2.136,110 -4.659,111 -1.636,112 -1.635,113 -4.659,114 3,115 -0.843,116 -0.843,117 1.272,118 -3.244,119 -3.244,120 16.089,121 0.063,122 0.112,123 4.094,124 9.935,125 0.074,127 4.527,128 0.288,129 1.29,131 16,132 4.043,133 3.045,134 3.045,135 20,136 3.714,137 30.111,139 13,140 4.403,141 6.2}
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{0 CHEMBL2002726,2 5,3 0.496,4 1,5 6.804,6 4.727,8 1.761,9 3.967,10 0.035,11 0.899,13 1,14 1,15 1.544,17 8.598,18 1,19 4.16,20 1.772,21 4,22 2,23 7.851,24 9.808,25 10.831,26 1.226,29 1.258,30 2.599,31 4.184,32 1.006,34 0.112,35 1.49,36 21,38 6.099,39 13.787,40 12.935,41 0.62,42 112.937,43 1.095,44 5.569,45 7.273,47 0.096,48 0.046,49 0.6,50 5.309,51 17.865,52 4.149,53 1,56 0.88,58 1.021,59 5.452,60 0.574,61 0.574,62 1,63 3.152,64 0.095,65 0.287,66 4.51,67 4.51,68 7.51,69 4.51,70 0.986,71 20.572,72 4,74 1.467,75 0.507,76 0.22,78 0.714,79 0.733,80 0.75,81 4,82 23,83 12.615,84 0.185,85 11.526,86 4.967,87 1.053,88 0.631,90 2.398,91 18.273,92 19.71,93 12.403,94 0.055,95 0.638,96 4.575,97 11.861,98 21.219,99 11.088,100 12,101 4.691,102 5.712,103 1.347,104 1.347,105 1.642,106 10.987,107 3.131,108 -0.353,109 -0.461,110 -0.856,111 -0.345,112 -0.353,113 -0.856,114 4,115 0.654,116 0.654,117 1.736,118 -0.455,119 -0.455,120 16.744,121 0.055,122 0.12,123 4.431,124 10.121,125 0.079,126 2,127 4.745,128 0.258,129 1.733,131 20,132 4.754,133 3.434,134 3.434,135 30,136 4.111,137 43.349,139 18,140 4.921,141 5.8}
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{0 CHEMBL2002992,1 1,2 1,3 0.611,4 1,5 6.605,6 4.595,8 1.688,9 3.972,10 0.035,11 0.825,13 3,14 1,15 1.464,17 4.23,18 1,19 4.148,20 1.692,21 8,22 4,23 7.519,24 9.359,25 10.5,26 3.954,29 1.522,30 2.576,31 3.977,32 1.064,34 -0.003,35 1.162,36 15,38 5.468,39 13.476,40 12.617,41 0.643,42 85.554,43 1.133,44 5.066,45 6.804,47 0.086,48 0.029,49 0.8,50 5.197,51 18.424,52 4.284,53 1,54 2,56 1.015,57 4,58 1.317,59 5.516,60 -0.906,61 -0.906,63 3.212,64 0.133,65 0.287,66 4.459,67 4.459,68 7.459,69 4.459,70 -0.152,71 15.315,74 0.099,75 -0.907,76 0.256,78 -0.602,79 0.637,80 0.667,81 3,82 17,83 13.595,84 0.184,85 11.205,86 4.512,87 0.5,88 -0.05,90 2.398,91 17.975,92 19.44,93 12.179,94 0.066,95 -1,96 4.22,97 11.638,98 20.945,99 8.271,100 3,101 4.159,102 6.095,103 -2,104 -2,105 0.486,106 10.765,107 3.206,108 -1,109 -1.284,110 -2.439,111 -0.948,112 -1,113 -2.439,114 3,115 -0.532,116 -0.532,117 1.439,118 -2.262,119 -2.262,120 16.456,121 0.063,122 0.12,123 4.174,124 9.896,125 0.076,126 2,127 4.443,128 0.271,129 1.429,131 16,132 4.22,133 3.178,134 3.178,135 23,136 3.85,137 33.79,139 8,140 5.01,141 5.4}
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{0 CHEMBL2181088,2 8,3 0.925,4 1,5 6.26,6 4.443,8 1.841,9 3.954,10 0.025,11 1.122,12 2.454,14 2,15 1.637,16 1,17 9.361,19 4.067,20 1.838,21 11,22 10,23 7.7,24 9.629,25 10.513,26 8.551,29 1.211,30 2.484,31 4.272,32 1.507,34 -0.204,35 1.589,36 29,37 1,38 6.059,39 13.296,40 12.961,41 0.66,43 1.281,44 5.521,45 7.238,47 0.093,48 0.08,49 1,50 5.405,51 30.389,52 3.93,55 1,56 1.037,57 2,58 1.401,59 5.38,60 1,61 1,63 4.552,64 0.375,65 0.289,66 4.104,67 4.104,68 7.104,69 4.104,70 1.396,71 27.909,72 5,74 1.956,75 0.954,76 0.189,77 1,78 1.234,79 1,80 0.4,81 11,82 41,83 19.403,84 0.188,85 11.579,86 4.982,87 2.134,88 1.73,89 1,90 2.398,91 17.547,92 18.85,93 12.6,94 -0.013,95 1.427,96 4.92,97 12.051,98 20.287,99 15.389,100 25,101 5.063,102 9.018,103 2.464,104 2.464,105 2.182,106 11.187,107 3.467,108 0.833,109 0.962,110 1.79,111 0.738,112 0.833,113 1.79,114 5,115 1.237,116 1.237,117 1.781,118 2.103,119 2.103,120 16.073,121 -0.098,122 0.123,123 4.754,124 10.329,125 0.08,127 4.745,128 0.239,129 1.795,130 1,131 24,132 5.342,133 3.714,134 3.714,135 40,136 4.394,137 55.051,139 18,140 5.338,141 7.051}
{0 CHEMBL2181310,2 8,3 0.79,4 1,5 6.26,6 4.443,8 1.841,9 3.953,10 0.025,11 1.122,12 2.424,14 3,15 1.621,16 1,17 8.611,19 4.06,20 1.838,21 10,22 10,23 7.7,24 9.629,25 10.513,26 8.075,29 1.211,30 2.459,31 4.272,32 1.507,34 -0.179,35 1.586,36 29,37 1,38 6.059,39 13.296,40 12.961,41 0.667,43 1.281,44 5.521,45 7.238,47 0.093,48 0.07,49 1,50 5.405,51 28.267,52 3.93,55 1,56 1.015,57 2,58 1.275,59 5.38,60 1,61 1,63 4.387,64 0.375,65 0.289,66 4.104,67 4.104,68 7.104,69 4.104,70 1.408,71 27.909,72 5,74 1.956,75 0.953,76 0.189,77 1,78 1.238,79 0.993,80 0.4,81 9,82 41,83 18.029,84 0.188,85 11.579,86 4.982,87 2.134,88 1.73,89 1,90 2.398,91 17.547,92 18.85,93 12.6,94 -0.015,95 1.427,96 4.92,97 12.051,98 20.287,99 15.389,100 25,101 5.063,102 8.856,103 2.464,104 2.464,105 2.182,106 11.187,107 3.463,108 0.833,109 0.962,110 1.79,111 0.738,112 0.833,113 1.79,114 5,115 1.237,116 1.237,117 1.768,118 2.103,119 2.103,120 16.073,121 -0.101,122 0.123,123 4.754,124 10.329,125 0.08,127 4.745,128 0.26,129 1.793,130 1,131 24,132 5.342,133 3.714,134 3.714,135 40,136 4.394,137 54.674,139 18,140 5.316,141 6}
{0 CHEMBL2181311,2 8,3 0.796,4 1,5 6.26,6 4.443,8 1.841,9 3.953,10 0.025,11 1.122,12 2.447,14 3,15 1.625,16 1,17 9.205,19 4.06,20 1.838,21 11,22 10,23 7.71,24 9.64,25 10.527,26 8.388,29 1.211,30 2.423,31 4.277,32 1.507,34 -0.235,35 1.587,36 29,37 1,38 6.085,39 13.314,40 12.977,41 0.669,43 1.281,44 5.545,45 7.248,47 0.096,48 0.082,49 0.9,50 5.353,51 30.945,52 3.907,55 1,56 1.046,57 2,58 1.441,59 5.391,60 1,61 1,63 4.563,64 0.375,65 0.287,66 4.112,67 4.112,68 7.112,69 4.112,70 1.381,71 28.602,72 6,74 1.957,75 0.954,76 0.187,77 1,78 1.308,79 0.993,80 0.4,81 13,82 41,83 18.848,84 0.187,85 11.594,86 5.002,87 2.166,88 1.785,89 1,90 2.398,91 17.567,92 18.874,93 12.635,94 -0.025,95 1.448,96 4.956,97 12.088,98 20.311,99 15.911,100 28,101 5.094,102 9.112,103 2.466,104 2.466,105 2.231,106 11.221,107 3.463,108 0.891,109 0.981,110 1.889,111 0.787,112 0.891,113 1.889,114 5,115 1.268,116 1.268,117 1.771,118 2.097,119 2.097,120 16.093,121 -0.127,122 0.122,123 4.804,124 10.362,125 0.079,127 4.745,128 0.245,129 1.793,130 2,131 24,132 5.352,133 3.738,134 3.738,135 41,136 4.419,137 55.754,139 18,140 5.335,141 5.143}
{0 CHEMBL2181313,2 8,3 0.796,4 1,5 6.26,6 4.443,8 1.841,9 3.953,10 0.025,11 1.122,12 2.448,14 3,15 1.625,16 1,17 9.186,19 4.06,20 1.838,21 11,22 10,23 7.71,24 9.638,25 10.52,26 8.315,29 1.211,30 2.566,31 4.276,32 1.507,34 -0.235,35 1.587,36 29,37 1,38 6.066,39 13.292,40 12.975,41 0.669,43 1.281,44 5.533,45 7.248,47 0.093,48 0.082,49 0.9,50 5.506,51 30.945,52 3.907,55 1,56 1.046,57 2,58 1.441,59 5.335,60 1.118,61 1.118,63 4.571,64 0.375,65 0.287,66 4.051,67 4.051,68 7.051,69 4.051,70 1.498,71 28.602,72 6,74 2.051,75 1.039,76 0.187,77 1,78 1.277,79 0.993,80 0.4,81 13,82 41,83 18.848,84 0.188,85 11.593,86 5.002,87 2.15,88 1.746,89 1,90 2.398,91 17.518,92 18.808,93 12.62,94 -0.025,95 1.428,96 4.956,97 12.071,98 20.236,99 15.89,100 28,101 5.088,102 9.112,103 2.545,104 2.545,105 2.196,106 11.207,107 3.463,108 0.842,109 0.972,110 1.82,111 0.752,112 0.842,113 1.82,114 5,115 1.276,116 1.276,117 1.774,118 2.096,119 2.096,120 16.052,121 -0.127,122 0.123,123 4.796,124 10.35,125 0.079,127 4.745,128 0.245,129 1.793,130 2,131 24,132 5.366,133 3.738,134 3.738,135 41,136 4.419,137 55.76,139 18,140 5.335,141 6.051}
{0 CHEMBL2181314,2 8,3 0.794,4 1,5 6.26,6 4.443,8 1.841,9 3.955,10 0.026,11 1.122,12 2.433,14 3,15 1.623,16 1,17 9.012,19 4.06,20 1.838,21 10,22 10,23 7.7,24 9.627,25 10.506,26 7.773,29 1.211,30 2.531,31 4.275,32 1.507,34 -0.179,35 1.586,36 29,37 1,38 6.047,39 13.275,40 12.959,41 0.667,43 1.281,44 5.509,45 7.238,47 0.092,48 0.07,49 1,50 5.503,51 28.267,52 3.923,55 1,56 1.015,57 2,58 1.275,59 5.326,60 1.103,61 1.103,63 4.365,64 0.375,65 0.289,66 4.043,67 4.043,68 7.043,69 4.043,70 1.485,71 27.909,72 6,74 2.035,75 1.024,76 0.189,77 1,78 1.265,79 0.993,80 0.4,81 11,82 41,83 17.863,84 0.189,85 11.578,86 4.982,87 2.145,88 1.741,89 1,90 2.398,91 17.499,92 18.786,93 12.587,94 -0.015,95 1.428,96 4.905,97 12.036,98 20.214,99 15.371,100 25,101 5.05,102 8.855,103 2.539,104 2.539,105 2.193,106 11.175,107 3.463,108 0.839,109 0.968,110 1.813,111 0.747,112 0.839,113 1.813,114 5,115 1.271,116 1.271,117 1.768,118 2.096,119 2.096,120 16.032,121 -0.101,122 0.123,123 4.754,124 10.32,125 0.08,127 4.745,128 0.26,129 1.793,130 1,131 24,132 5.328,133 3.714,134 3.714,135 40,136 4.394,137 54.573,139 18,140 5.315,141 6.143}
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{0 CHEMBL2181324,2 7,3 0.825,4 1,8 1.863,9 3.98,10 0.024,11 0.994,12 4.695,14 2,15 1.68,16 2,17 9.207,19 4.076,20 1.87,21 10,22 10,23 7.608,24 9.57,25 10.403,26 6.727,29 1.334,30 2.459,31 4.295,32 1.313,34 -0.244,35 1.618,36 30,37 1,38 6.063,39 13.162,40 12.93,41 0.674,43 1.273,44 5.52,45 7.205,47 0.102,48 0.068,49 1,50 5.408,51 29.611,52 3.948,55 1,56 1.024,58 1.463,59 5.357,60 1.047,61 1.047,63 4.588,64 0.364,65 0.287,66 3.989,67 3.989,68 6.989,69 3.989,70 1.441,71 27.909,72 5,74 1.968,75 0.965,76 0.189,77 1,78 1.26,79 0.927,80 0.4,81 9,82 42,83 19.158,84 0.185,85 11.553,86 4.975,87 2.127,88 1.955,89 1,91 17.384,92 18.655,93 12.646,94 -0.011,95 1.428,96 5.037,97 12.103,98 20.086,99 15.532,100 30,101 5.17,102 8.705,103 2.407,104 2.407,105 2.16,106 11.23,107 3.486,108 1,109 1,110 1.869,111 0.952,112 1,113 1.869,114 5,115 1.198,116 1.198,117 1.772,118 2.275,119 2.275,120 15.91,121 -0.089,122 0.121,123 4.852,124 10.367,125 0.078,127 4.677,128 0.247,129 1.778,130 1,131 24,132 5.429,133 3.714,134 3.714,135 40,136 4.394,137 54.955,139 18,140 5.352,141 5.602}
{0 CHEMBL2181325,2 7,3 0.793,4 1,8 1.863,9 3.98,10 0.025,11 0.993,12 4.214,14 2,15 1.679,16 2,17 9.182,19 4.075,20 1.87,21 9,22 8,23 7.684,24 9.609,25 10.454,26 5.048,29 1.311,30 2.605,31 4.295,32 1.301,34 -0.262,35 1.617,36 30,37 1,38 6.067,39 13.196,40 13.005,41 0.674,43 1.273,44 5.528,45 7.248,47 0.098,48 0.075,49 1,50 5.588,51 27.948,52 4.058,55 1,56 1.011,58 1.458,59 5.358,60 1.084,61 1.084,63 4.497,64 0.364,65 0.288,66 3.989,67 3.989,68 6.989,69 3.989,70 1.46,71 27.622,72 5,74 2.066,75 1.056,76 0.19,77 1,78 1.26,79 0.825,80 0.4,81 11,82 42,83 17.555,84 0.185,85 11.626,86 4.996,87 2.377,88 1.955,89 2,91 17.4,92 18.669,93 12.673,94 -0.023,95 1.428,96 5.05,97 12.13,98 20.096,99 15.063,100 26,101 5.17,102 8.3,103 2.614,104 2.614,105 2.172,106 11.257,107 3.467,108 1,109 1,110 2.275,111 0.952,112 1,113 2.275,114 5,115 1.207,116 1.207,117 1.77,118 2.407,119 2.407,120 15.932,121 -0.113,122 0.12,123 4.868,124 10.392,125 0.077,127 4.783,128 0.251,129 1.775,130 1,131 25,132 5.447,133 3.714,134 3.714,135 40,136 4.394,137 56.112,139 19,140 5.299,141 5.222}
{0 CHEMBL2181326,2 7,3 0.825,4 1,8 1.864,9 4.003,10 0.024,11 1.061,12 3.807,14 2,15 1.682,16 2,17 9.161,19 4.094,20 1.872,21 10,22 9,23 8.257,24 10.05,25 11.196,26 4.207,29 1.353,30 2.864,31 4.356,32 1.499,34 -0.273,35 1.627,36 30,37 1,38 6.081,39 14.12,40 13.419,41 0.664,43 1.273,44 5.552,45 7.484,47 0.094,48 0.196,49 0.9,50 5.594,51 33.031,52 4.19,55 1,56 1.033,58 1.503,59 5.788,60 1.172,61 1.172,63 5.709,64 0.364,65 0.286,66 4.553,67 4.553,68 7.553,69 4.553,70 1.468,71 28.602,72 5,73 5.807,74 2.136,75 1.122,76 0.187,77 1,78 1.263,79 0.992,80 0.4,81 9,82 42,83 19.572,84 0.186,85 11.967,86 5.055,87 2.431,88 1.955,89 3,91 18.558,92 20.004,93 12.78,94 -0.016,95 1.473,96 5.112,97 12.242,98 21.499,99 15.512,100 28,101 5.236,102 9.105,103 2.623,104 2.623,105 2.203,106 11.361,107 3.634,108 1,109 1.001,110 2.275,111 0.952,112 1,113 2.275,114 5,115 1.239,116 1.239,117 1.79,118 2.407,119 2.407,120 17.055,121 -0.134,122 0.119,123 4.913,124 10.493,125 0.076,127 5.19,128 0.266,129 1.812,130 1,131 27,132 5.513,133 3.761,134 3.761,135 42,136 4.443,137 58.53,139 18,140 5.383,141 5}
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{0 CHEMBL2181330,2 7,3 0.796,4 1,5 6.26,6 4.443,8 1.841,9 3.952,10 0.022,11 1.122,12 2.452,14 2,15 1.625,16 1,17 9.162,19 4.057,20 1.838,21 10,22 10,23 7.561,24 9.537,25 10.353,26 8.558,29 1.211,30 2.414,31 4.261,32 1.507,34 -0.21,35 1.587,36 29,37 1,38 6.002,39 13.107,40 12.861,41 0.664,43 1.281,44 5.475,45 7.178,47 0.092,48 0.08,49 1,50 5.352,51 28.77,52 3.857,55 1,56 1.023,57 2,58 1.398,59 5.282,60 1,61 1,63 4.349,64 0.375,65 0.29,66 3.978,67 3.978,68 6.978,69 3.978,70 1.312,71 27.504,72 5,74 1.955,75 0.952,76 0.191,77 1,78 1.197,79 0.993,80 0.4,81 11,82 41,83 18.474,84 0.19,85 11.492,86 4.94,87 2.134,88 1.73,89 1,90 2.398,91 17.326,92 18.586,93 12.516,94 -0.014,95 1.427,96 4.86,97 11.961,98 20.017,99 15.215,100 26,101 4.997,102 8.663,103 2.407,104 2.407,105 2.165,106 11.104,107 3.463,108 0.833,109 0.962,110 1.79,111 0.738,112 0.833,113 1.79,114 5,115 1.203,116 1.203,117 1.767,118 2.096,119 2.096,120 15.849,121 -0.101,122 0.125,123 4.691,124 10.256,125 0.081,127 4.62,128 0.244,129 1.793,130 1,131 23,132 5.268,133 3.689,134 3.689,135 39,136 4.369,137 53.384,139 18,140 5.308,141 6.284}
{0 CHEMBL2181331,2 7,3 0.825,4 1,8 1.864,9 3.951,10 0.022,11 1.006,12 2.483,14 2,15 1.682,16 1,17 9.177,19 4.058,20 1.872,21 11,22 11,23 7.556,24 9.539,25 10.35,26 9.898,29 1.412,30 2.414,31 4.261,32 1.356,34 -0.204,35 1.621,36 30,37 1,38 6.017,39 13.106,40 12.861,41 0.66,43 1.273,44 5.479,45 7.183,47 0.097,48 0.08,49 1,50 5.34,51 30.347,52 3.827,55 1,56 1.037,57 3,58 1.401,59 5.318,60 1.062,61 1.062,63 4.526,64 0.364,65 0.291,66 3.978,67 3.978,68 6.978,69 3.978,70 1.389,71 28.197,72 5,74 1.995,75 0.983,76 0.188,77 1,78 1.263,79 0.99,80 0.4,81 11,82 42,83 19.948,84 0.191,85 11.493,86 4.947,87 2.185,88 1.955,89 1,91 17.325,92 18.586,93 12.523,94 -0.013,95 1.428,96 4.875,97 11.967,98 20.017,99 15.715,100 26,101 5.011,102 9.163,103 2.408,104 2.408,105 2.168,106 11.112,107 3.504,108 1,109 1,110 2.136,111 0.952,112 1,113 2.136,114 5,115 1.207,116 1.207,117 1.779,118 2.349,119 2.349,120 15.849,121 -0.098,122 0.125,123 4.71,124 10.264,125 0.082,127 4.62,128 0.239,129 1.782,130 1,131 23,132 5.288,133 3.714,134 3.714,135 40,136 4.394,137 54.717,139 18,140 5.375,141 6.125}
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{0 CHEMBL271140,2 10,3 0.802,4 1,8 1.944,9 4,10 0.039,11 1.053,12 4.655,14 4,15 1.748,16 2,17 8.594,19 4.074,20 1.954,21 8,22 4,23 8.176,24 10.006,25 10.96,26 4.026,29 1.304,30 2.74,31 4.374,32 1.273,34 -0.153,35 1.685,36 30,37 1,38 6.291,39 13.727,40 13.481,41 0.665,43 1,44 5.782,45 7.578,47 0.093,48 0.033,49 0.7,50 6.148,51 29.03,52 4.419,55 1,56 0.957,58 1.175,59 5.604,60 1.414,61 1.414,63 4.936,65 0.291,66 4.177,67 4.177,68 7.177,69 4.177,70 1.607,71 31.323,72 8,74 2.363,75 1.337,76 0.179,77 1,78 1.596,79 0.825,80 1,81 4,82 30,83 18.161,84 0.184,85 12.068,86 5.26,87 2.603,88 2.04,89 2,91 17.959,92 19.276,93 12.953,94 0.001,95 1.632,96 5.037,97 12.414,98 20.709,99 16.672,100 21,101 5.13,102 9.121,103 3.249,104 3.249,105 2.414,106 11.533,107 3.482,108 1.033,109 1.504,110 2.713,111 1.035,112 1.033,113 2.713,114 5,115 1.415,116 1.415,117 1.856,118 3.126,119 3.126,120 16.498,121 -0.052,122 0.12,123 4.92,124 10.669,125 0.077,127 5.278,128 0.27,129 1.856,131 32,132 5.328,133 3.892,134 3.892,135 48,136 4.575,137 68.785,139 24,140 5.387,141 4.602}
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{0 CHEMBL271154,2 10,3 0.8,4 1,5 7.018,6 4.844,8 1.923,9 3.99,10 0.041,11 1.051,12 4.653,14 7,15 1.746,16 2,17 8.558,19 4.062,20 1.922,21 6,22 4,23 8.146,24 9.98,25 10.891,26 4.022,29 1.304,30 2.741,31 4.375,32 1.21,34 -0.198,35 1.684,36 33,37 1,38 6.345,39 13.616,40 13.458,41 0.699,42 224.247,43 1.061,44 5.808,45 7.582,47 0.1,48 0.024,49 0.4,50 6.133,51 23.177,52 4.453,53 1,55 1,56 0.878,58 1.229,59 5.486,60 1.415,61 1.415,63 4.879,64 0.061,65 0.286,66 4.036,67 4.036,68 7.036,69 4.036,70 2.019,71 32.709,72 8,74 2.363,75 1.336,76 0.175,77 1,78 1.862,79 0.825,80 0.833,81 6,82 35,83 15.048,84 0.182,85 12.057,86 5.268,87 2.617,88 2.04,89 3,90 2.398,91 17.794,92 19.072,93 13.014,94 -0.008,95 1.778,96 5.193,97 12.479,98 20.49,99 16.877,100 21,101 5.298,102 8.875,103 3.969,104 3.969,105 2.465,106 11.594,107 3.489,108 1.033,109 1.504,110 2.714,111 1.034,112 1.033,113 2.714,114 6,115 1.525,116 1.525,117 1.852,118 3.352,119 3.352,120 16.341,121 -0.086,122 0.116,123 5.03,124 10.723,125 0.076,127 5.278,128 0.303,129 1.851,131 35,132 5.434,133 3.912,134 3.912,135 49,136 4.595,137 69.677,139 24,140 5.318,141 5.301}
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{0 CHEMBL271372,2 7,3 0.731,8 1.894,9 3.964,10 0.046,11 0.825,12 2.269,13 1,14 2,15 1.717,16 1,17 8.576,18 1,19 4.052,20 1.911,21 8,22 4,23 7.891,24 9.712,25 10.631,26 4.006,29 1.399,30 2.655,31 4.374,32 1.185,34 -0.136,35 1.316,36 24,37 1,38 6.016,39 13.354,40 13.231,41 0.662,43 1,44 5.499,45 7.32,47 0.093,48 0.024,49 0.7,50 5.633,51 24.711,52 4.362,55 1,56 0.97,57 3,58 1.159,59 5.471,60 1.03,61 1.03,63 3.985,65 0.298,66 4.016,67 4.016,68 7.016,69 4.016,70 1.334,71 25.948,72 5,74 2.036,75 1.032,76 0.196,77 1,78 1.15,79 0.817,80 1,81 4,82 24,83 15.931,84 0.189,85 11.828,86 5.002,87 2.5,88 1.917,89 2,91 17.526,92 18.805,93 12.683,94 0.007,95 1.504,96 4.771,97 12.136,98 20.22,99 14.006,100 15,101 4.828,102 8.141,103 2.442,104 2.442,105 2.042,106 11.269,107 3.419,108 1,109 1,110 2.275,111 0.916,112 1,113 2.275,114 4,115 1.035,116 1.035,117 1.587,118 2.275,119 2.275,120 16.077,121 -0.041,122 0.121,123 4.654,124 10.413,125 0.08,127 5.047,128 0.289,129 1.573,131 26,132 5.024,133 3.714,134 3.714,135 40,136 4.394,137 57.222,139 18,140 5.26,141 4.602}
{0 CHEMBL271375,2 7,3 0.266,8 1.599,9 3.953,10 0.044,11 0.622,14 3,15 1.345,17 7.565,19 4.031,20 1.646,21 2,23 7.807,24 9.64,25 10.541,29 1.163,30 2.512,31 4.374,32 1.089,34 -0.083,35 1.176,36 18,37 1,38 5.893,39 13.259,40 13.123,41 0.661,43 1,44 5.393,45 7.24,47 0.091,48 -0.016,49 0.6,50 5.462,51 13.662,52 4.338,56 0.831,58 1.049,59 5.331,60 0.238,61 0.238,63 2.612,65 0.305,66 4.01,67 4.01,68 7.01,69 4.01,70 1,71 20.978,72 5,74 1.201,75 0.228,76 0.218,77 1,78 0.735,79 0.328,80 1,81 1,82 18,83 8.327,84 0.189,85 11.718,86 4.873,87 1.394,88 0.809,89 2,91 17.431,92 18.698,93 12.457,94 0.06,95 0.279,96 4.477,97 11.908,98 20.116,99 11.582,100 7,101 4.407,102 5.577,103 0.582,104 0.582,105 1.917,106 11.042,107 3.333,108 -0.177,109 -0.222,110 -0.445,111 -0.173,112 -0.177,113 -0.445,114 3,115 1,116 1,117 1.49,118 0.147,119 0.147,120 15.976,121 0.032,122 0.123,123 4.369,124 10.193,125 0.081,127 4.966,128 0.335,129 1.457,131 21,132 4.533,133 3.526,134 3.526,135 33,136 4.205,137 46.757,139 18,140 4.835,141 4.602}
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{0 CHEMBL271650,2 8,3 0.736,8 1.897,9 3.965,10 0.045,11 0.836,12 2.249,13 1,14 2,15 1.734,16 1,17 8.625,18 1,19 4.053,20 1.921,21 9,22 4,23 8.001,24 9.799,25 10.764,26 3.82,29 1.399,30 2.853,31 4.402,32 1.194,34 -0.157,35 1.331,36 24,37 1,38 6.077,39 13.51,40 13.312,41 0.667,43 1,44 5.564,45 7.381,47 0.097,48 0.029,49 0.9,50 5.874,51 27.185,52 4.382,55 1,56 0.997,57 3,58 1.197,59 5.456,60 1.128,61 1.128,63 4.147,65 0.295,66 4.037,67 4.037,68 7.037,69 4.037,70 1.667,71 27.046,72 5,74 2.109,75 1.096,76 0.192,77 1,78 1.61,79 0.825,80 1,81 7,82 24,83 16.201,84 0.187,85 11.902,86 5.061,87 2.569,88 1.984,91 17.698,92 18.998,93 12.781,94 -0.006,95 1.635,96 4.883,97 12.239,98 20.414,99 14.721,100 18,101 4.942,102 8.591,103 2.862,104 2.862,105 2.224,106 11.365,107 3.426,108 1,109 1,110 2.275,111 0.983,112 1,113 2.275,114 4,115 1.216,116 1.216,117 1.588,118 2.516,119 2.516,120 16.253,121 -0.072,122 0.119,123 4.771,124 10.502,125 0.078,127 5.13,128 0.289,129 1.579,130 4,131 27,132 5.147,133 3.761,134 3.761,135 42,136 4.443,137 59.512,139 18,140 5.289,141 4.602}
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