@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL1667689

@attribute molecule_id {CHEMBL102,CHEMBL1082,CHEMBL1214,CHEMBL127,CHEMBL1436,CHEMBL148,CHEMBL1727,CHEMBL186,CHEMBL29,CHEMBL316157,CHEMBL44354,CHEMBL480517,CHEMBL617}
@attribute ATS6i numeric
@attribute ATSC1s numeric
@attribute ATSC2s numeric
@attribute ATSC3s numeric
@attribute ATSC5e numeric
@attribute ATSC5s numeric
@attribute ATSC6s numeric
@attribute CATS2D_02_DA numeric
@attribute CATS2D_07_DA numeric
@attribute DELS numeric
@attribute Eig03_EA.dm. numeric
@attribute Eig04_EA.dm. numeric
@attribute Eig10_EA numeric
@attribute Eig12_AEA.ed. numeric
@attribute Eig13_AEA.dm. numeric
@attribute Eta_F_A numeric
@attribute GATS5p numeric
@attribute MATS4p numeric
@attribute MAXDN numeric
@attribute Me numeric
@attribute MPC03 numeric
@attribute MPC04 numeric
@attribute O. numeric
@attribute ON0V numeric
@attribute piPC08 numeric
@attribute P_VSA_e_5 numeric
@attribute P_VSA_LogP_5 numeric
@attribute P_VSA_m_3 numeric
@attribute SdO numeric
@attribute SdssC numeric
@attribute SM04_AEA.dm. numeric
@attribute SpMax2_Bh.s. numeric
@attribute SpMax4_Bh.s. numeric
@attribute SpMax6_Bh.s. numeric
@attribute SpMax7_Bh.s. numeric
@attribute SpMax7_Bh.v. numeric
@attribute SssS numeric
@attribute TIE numeric
@attribute ATS1m numeric
@attribute ATS1p numeric
@attribute ATS1v numeric
@attribute ATS2e numeric
@attribute ATS3m numeric
@attribute ATS4m numeric
@attribute ATS4v numeric
@attribute ATS5p numeric
@attribute ATS5v numeric
@attribute ATS6e numeric
@attribute ATS6s numeric
@attribute ATS7i numeric
@attribute ATS7m numeric
@attribute ATS8m numeric
@attribute ATS8p numeric
@attribute ATS8s numeric
@attribute ATS8v numeric
@attribute ATSC5i numeric
@attribute ATSC5p numeric
@attribute ATSC7m numeric
@attribute ATSC7p numeric
@attribute ATSC8e numeric
@attribute ATSC8i numeric
@attribute ATSC8m numeric
@attribute ATSC8p numeric
@attribute ATSC8s numeric
@attribute ATSC8v numeric
@attribute BBI numeric
@attribute BID 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 Chi1_AEA.bo. numeric
@attribute Chi1_AEA.dm. numeric
@attribute Chi1_AEA.ed. numeric
@attribute Chi1_AEA.ri. numeric
@attribute Chi1_EA numeric
@attribute Chi1_EA.bo. numeric
@attribute Chi1_EA.ri. numeric
@attribute CID numeric
@attribute CSI numeric
@attribute D.Dtr04 numeric
@attribute Dz numeric
@attribute ECC numeric
@attribute Eig05_EA numeric
@attribute Eig06_AEA.bo. numeric
@attribute Eig06_AEA.ri. numeric
@attribute Eig06_EA numeric
@attribute Eig06_EA.bo. numeric
@attribute Eig06_EA.ed. numeric
@attribute Eig06_EA.ri. numeric
@attribute Eig08_AEA.bo. numeric
@attribute Eig08_AEA.dm. numeric
@attribute Eig08_AEA.ed. numeric
@attribute Eig08_AEA.ri. numeric
@attribute Eig08_EA numeric
@attribute Eig08_EA.ed. numeric
@attribute Eig08_EA.ri. numeric
@attribute Eig09_AEA.dm. numeric
@attribute Eig09_AEA.ed. numeric
@attribute Eig09_EA.ed. numeric
@attribute Eig10_AEA.ed. numeric
@attribute Eig12_AEA.bo. numeric
@attribute Eig13_AEA.ed. numeric
@attribute Eig14_AEA.dm. numeric
@attribute Eig14_AEA.ri. numeric
@attribute Eig14_EA numeric
@attribute Eig14_EA.bo. numeric
@attribute Eig14_EA.ri. numeric
@attribute Eig15_AEA.dm. numeric
@attribute Eta_alpha numeric
@attribute Eta_C numeric
@attribute Eta_epsi numeric
@attribute Eta_L numeric
@attribute GGI7 numeric
@attribute GMTI numeric
@attribute GMTIV numeric
@attribute HDcpx numeric
@attribute IDDM numeric
@attribute IDET numeric
@attribute IDM numeric
@attribute IDMT numeric
@attribute IVDM numeric
@attribute LPRS numeric
@attribute MATS1m numeric
@attribute MDDD numeric
@attribute MPC01 numeric
@attribute MPC02 numeric
@attribute MPC05 numeric
@attribute MPC06 numeric
@attribute MSD numeric
@attribute MW numeric
@attribute MWC01 numeric
@attribute MWC02 numeric
@attribute MWC03 numeric
@attribute MWC04 numeric
@attribute MWC05 numeric
@attribute nBO numeric
@attribute nHet numeric
@attribute nSK numeric
@attribute ON1 numeric
@attribute Psi_e_0 numeric
@attribute Psi_e_1 numeric
@attribute Psi_i_1 numeric
@attribute P_VSA_MR_1 numeric
@attribute RDCHI numeric
@attribute RDSQ numeric
@attribute S0K numeric
@attribute S3K numeric
@attribute SAtot numeric
@attribute Se numeric
@attribute SM02_AEA.dm. numeric
@attribute SM02_EA numeric
@attribute SM02_EA.ri. numeric
@attribute SM03_AEA.ri. numeric
@attribute SM03_EA.bo. numeric
@attribute SM04_AEA.ri. numeric
@attribute SM05_EA.bo. numeric
@attribute SM08_AEA.dm. numeric
@attribute SM13_AEA.bo. numeric
@attribute SM14_AEA.bo. numeric
@attribute SM15_AEA.dm. numeric
@attribute SMTI numeric
@attribute SMTIV numeric
@attribute Sp numeric
@attribute SpAD_AEA.bo. numeric
@attribute SpAD_AEA.dm. numeric
@attribute SpAD_AEA.ed. numeric
@attribute SpAD_AEA.ri. numeric
@attribute SpAD_EA numeric
@attribute SpAD_EA.ed. numeric
@attribute SpAD_EA.ri. numeric
@attribute SpMax3_Bh.m. numeric
@attribute SpMax4_Bh.e. numeric
@attribute SpMax4_Bh.i. numeric
@attribute SpMax5_Bh.e. numeric
@attribute SpMax5_Bh.i. numeric
@attribute SpMax5_Bh.v. numeric
@attribute SpMaxA_AEA.bo. numeric
@attribute pXC50 numeric

@data
{1 4.923,2 37.96,3 84.989,4 105.655,5 1.481,6 225.096,7 161.755,8 3,9 2,10 58.841,11 2.373,12 1.984,13 1.263,14 3.27,15 1.205,16 0.994,17 1.043,18 -0.135,19 2.986,20 1.048,21 4.143,22 4.431,23 14.9,24 8.967,25 5.82,26 165.482,27 48.062,28 165.482,29 48.045,30 -3.306,31 1.263,32 7.436,33 7.423,34 5.165,35 4.902,36 2.907,37 1.246,38 98.858,39 3.826,40 3.496,41 3.498,42 4.487,43 4.223,44 4.358,45 3.98,46 3.92,47 3.957,48 4.766,49 6.213,50 4.88,51 4.152,52 4.091,53 3.724,54 6.149,55 3.674,56 1.275,57 9.125,58 32.895,59 9.596,60 1.065,61 1.041,62 25.17,63 8.171,64 182.257,65 7.523,66 46,67 3.441,68 19.629,69 19.629,70 19.629,71 19.629,72 19.629,73 20.376,74 15.716,75 15.716,76 15.716,77 15.716,78 15.716,79 12.887,80 16.912,81 4.111,82 717,83 62.102,84 69.5,85 347,86 2.232,87 3.252,88 2.92,89 1.955,90 2.324,91 5.139,92 1.869,93 2.856,94 2.742,95 4.602,96 2.498,97 1.572,98 4.548,99 1.41,100 2.559,101 4.576,102 4.078,103 3.857,104 2.049,105 3.115,106 1.203,107 1.258,108 0.351,109 0.447,110 0.313,111 0.697,112 14,113 28.899,114 34,115 7.465,116 0.644,117 10633,118 45088,119 1.731,120 4.875,121 1593.18,122 8.523,123 22023.2,124 4.796,125 153.806,126 0.023,127 31.436,128 3.497,129 3.85,130 4.625,131 4.745,132 6.841,133 455.52,134 3.497,135 5.056,136 5.922,137 6.832,138 7.731,139 32,140 14,141 30,142 6.667,143 11.205,144 4.987,145 16.017,146 153.024,147 3.952,148 264.677,149 147.207,150 4.694,151 534.537,152 49.255,153 1.572,154 4.533,155 4.403,156 4.548,157 4.868,158 4.078,159 7.746,160 0.351,161 2.232,162 1.955,163 5.139,164 10696,165 22137,166 32.074,167 49.681,168 54.782,169 51.943,170 48.381,171 48.525,172 144.468,173 45.2,174 3.615,175 3.502,176 3.525,177 3.407,178 3.437,179 3.204,180 0.144,181 4.481}
{0 CHEMBL1082,1 4.811,2 28.452,3 64.052,4 97.812,5 1.138,6 211.039,7 138.117,8 2,9 1,10 47.698,11 2.083,12 1.97,13 0.796,14 2.863,15 0.459,16 0.873,17 0.932,18 -0.129,19 2.723,20 1.025,21 4.06,22 4.344,23 11.4,24 8.017,25 5.363,26 160.801,27 3.186,28 160.801,29 36.161,30 -1.999,31 0.796,32 7.432,33 6.471,34 5.002,35 4.548,36 2.697,37 1.353,38 80.439,39 3.575,40 3.425,41 3.406,42 4.427,43 4.102,44 4.125,45 3.905,46 3.75,47 3.701,48 4.577,49 5.899,50 4.543,51 3.615,52 3.563,53 3.484,54 5.808,55 3.415,56 1.142,57 8.526,58 20.239,59 6.49,60 0.65,61 0.786,62 19.142,63 6.081,64 127.808,65 6.938,66 42,67 3.267,68 15.8,69 15.8,70 15.8,71 15.8,72 15.8,73 16.122,74 13.24,75 13.24,76 13.24,77 13.24,78 13.24,79 11.391,80 13.828,81 3.93,82 537,83 50.636,84 56.5,85 255,86 2.226,87 3.276,88 2.885,89 1.903,90 2.483,91 5.493,92 1.854,93 2.511,94 2.225,95 4.725,96 2.318,97 1.369,98 4.207,99 1.282,100 1.86,101 3.831,102 2.275,103 3.492,104 1.019,105 2.736,106 0.366,107 0.337,108 -0.637,109 -0.718,110 -0.604,111 0.15,112 11.7,113 24.765,114 28.5,115 6.594,116 0.446,117 6572,118 22912,119 1.68,120 4.616,121 1036.7,122 7.981,123 12378.6,124 4.504,125 120.047,126 0.01,127 20.33,128 3.332,129 3.761,130 4.533,131 4.644,132 5.976,133 365.45,134 3.332,135 4.934,136 5.82,137 6.76,138 7.675,139 27,140 9,141 25,142 5.264,143 9.399,144 4.38,145 14.718,146 94.169,147 3.517,148 210.357,149 110.096,150 3.038,151 480.909,152 45.087,153 1.369,154 4.443,155 4.354,156 4.207,157 4.771,158 2.275,159 7.509,160 -0.637,161 2.226,162 1.903,163 5.493,164 6569,165 12331,166 29.029,167 43.193,168 46.498,169 45.598,170 42.377,171 42.285,172 135.428,173 40.448,174 3.554,175 3.432,176 3.479,177 3.279,178 3.286,179 3.031,180 0.174,181 4.071}
{0 CHEMBL1214,1 4.851,2 31.09,3 91.388,4 116.107,5 1.333,6 249.86,7 162.48,8 3,9 2,10 53.502,11 2.377,12 1.984,13 1,14 3.118,15 0.795,16 0.929,17 0.934,18 -0.122,19 2.986,20 1.03,21 4.094,22 4.419,23 13.6,24 8.183,25 5.588,26 185.946,27 3.186,28 185.946,29 47.944,30 -3.721,31 1,32 7.472,33 7.421,34 6.35,35 4.74,36 2.715,37 1.286,38 89.75,39 3.604,40 3.448,41 3.433,42 4.432,43 4.131,44 4.264,45 3.969,46 3.81,47 3.804,48 4.647,49 5.992,50 4.576,51 3.848,52 3.653,53 3.546,54 5.82,55 3.489,56 1.189,57 9.056,58 20.681,59 6.905,60 0.674,61 0.802,62 19.737,63 6.755,64 140.011,65 7.101,66 43,67 3.305,68 16.56,69 16.56,70 16.56,71 16.56,72 16.56,73 16.834,74 13.774,75 13.774,76 13.774,77 13.774,78 13.774,79 11.736,80 14.256,81 3.968,82 519,83 53.163,84 59,85 248,86 2.16,87 3.276,88 2.862,89 1.86,90 2.38,91 4.988,92 1.836,93 2.747,94 2.225,95 4.553,96 2.391,97 1.409,98 3.882,99 1.344,100 1.864,101 3.802,102 2.982,103 3.633,104 1.533,105 2.863,106 0.465,107 0.337,108 -0.636,109 -0.729,110 -0.605,111 0.445,112 12.133,113 25.676,114 29.267,115 6.699,116 0.477,117 6931,118 25120,119 1.694,120 4.676,121 1097.03,122 8.118,123 13403.2,124 4.565,125 125.497,126 0.016,127 20.462,128 3.367,129 3.784,130 4.554,131 4.663,132 5.796,133 378.44,134 3.367,135 4.963,136 5.849,137 6.795,138 7.708,139 28,140 9,141 26,142 5.542,143 9.846,144 4.651,145 15.153,146 105.94,147 3.547,148 224.659,149 116.211,150 3.166,151 495.314,152 45.313,153 1.409,154 4.466,155 4.393,156 3.882,157 4.758,158 2.982,159 7.482,160 -0.636,161 2.16,162 1.86,163 4.988,164 6956,165 13320,166 29.477,167 44.739,168 47.84,169 46.548,170 43.69,171 43.58,172 138.432,173 42.078,174 3.564,175 3.482,176 3.502,177 3.281,178 3.29,179 3.033,180 0.167,181 4.523}
{0 CHEMBL127,1 5.289,2 20.774,3 61.96,4 75.471,5 0.889,6 146.366,7 125.393,8 1,9 2,10 46.937,11 1.94,12 1.437,13 0.803,14 3.161,15 0.752,16 0.71,17 1.166,18 -0.049,19 2.786,20 1.014,21 4.127,22 4.443,23 9.8,24 9.967,25 5.576,26 160.801,28 160.801,29 36.249,30 -0.727,31 0.803,32 7.429,33 6.45,34 4.459,35 4.33,36 2.819,37 1.446,38 86.438,39 3.625,40 3.512,41 3.478,42 4.618,43 4.213,44 4.237,45 4.058,46 4.102,47 4.018,48 5.048,49 6.05,50 5.225,51 3.748,52 3.547,53 3.537,54 5.863,55 3.503,56 1.466,57 10.937,58 45.536,59 11.325,60 0.747,61 0.863,62 24.346,63 6.362,64 113.591,65 8.822,66 43,67 3.305,68 16.535,69 16.535,70 16.535,71 16.535,72 16.535,73 16.965,74 13.714,75 13.714,76 13.714,77 13.714,78 13.714,79 12.521,80 14.411,81 3.967,82 515,83 53.754,84 58.5,85 248,86 2.246,87 3.096,88 2.923,89 1.977,90 2.106,91 5.837,92 1.857,93 2.622,94 2.238,95 4.617,96 2.343,97 1.377,98 4.044,99 1.306,100 1.938,101 4.143,102 2.852,103 3.649,104 1.588,105 2.959,106 0.434,107 0.269,108 -0.726,109 -0.776,110 -0.668,111 0.3,112 12.2,113 31.252,114 31,115 8.099,116 0.435,117 6758,118 20839,119 1.695,120 4.67,121 1102.69,122 8.116,123 13407.9,124 4.561,125 125.415,126 0.043,127 22.473,128 3.367,129 3.784,130 4.644,131 4.796,132 5.81,133 383.52,134 3.367,135 4.963,136 5.861,137 6.801,138 7.731,139 28,140 9,141 26,142 5.583,143 9.817,144 4.478,145 15.888,146 188.338,147 3.53,148 225.991,149 120.211,150 3.208,151 529.955,152 51.738,153 1.377,154 4.466,155 4.374,156 4.044,157 4.691,158 2.852,159 7.468,160 -0.726,161 2.246,162 1.977,163 5.837,164 6883,165 12168,166 32.313,167 44.624,168 48.591,169 47.558,170 44.004,171 43.842,172 138.849,173 41.78,174 3.607,175 3.519,176 3.581,177 3.307,178 3.334,179 3.081,180 0.169,181 3.839}
{0 CHEMBL1436,1 4.905,2 40.862,3 92.315,4 108.458,5 1.543,6 225.687,7 175.927,8 4,9 3,10 57.119,11 2.192,12 1.984,13 1.094,14 3.115,15 1.205,16 1.024,17 1.135,18 -0.111,19 3.02,20 1.053,21 4.111,22 4.394,23 17.8,24 8.183,25 5.776,26 174.989,27 54.311,28 174.989,29 47.572,30 -3.986,31 1.094,32 7.443,33 7.423,34 5.114,35 4.919,36 2.906,37 1.213,38 90.7,39 3.733,40 3.4,41 3.444,42 4.449,43 4.163,44 4.301,45 3.933,46 3.845,47 3.909,48 4.752,49 6.177,50 4.795,51 4.063,52 3.886,53 3.578,54 6.126,55 3.568,56 1.167,57 8.043,58 25.052,59 7.728,60 1.118,61 0.893,62 21.096,63 6.833,64 184.855,65 7.548,66 44,67 3.408,68 19.181,69 19.181,70 19.181,71 19.181,72 19.181,73 19.647,74 15.233,75 15.233,76 15.233,77 15.233,78 15.233,79 12.476,80 15.973,81 4.08,82 654,83 59.517,84 68,85 316,86 2.151,87 3.252,88 2.914,89 1.955,90 2.324,91 5.043,92 1.856,93 2.849,94 2.586,95 4.584,96 2.492,97 1.571,98 4.377,99 1.403,100 2.558,101 4.003,102 3.149,103 3.549,104 2.048,105 3,106 0.849,107 1.257,108 0.316,109 0.408,110 0.291,111 0.655,112 13.1,113 25.791,114 33.1,115 6.888,116 0.625,117 9726,118 41359,119 1.723,120 4.826,121 1467.32,122 8.425,123 19790.6,124 4.756,125 146.89,126 0.018,127 29.655,128 3.466,129 3.807,130 4.575,131 4.7,132 6.658,133 424.43,134 3.466,135 5.017,136 5.883,137 6.79,138 7.689,139 31,140 13,141 29,142 6.5,143 10.815,144 4.826,145 15.272,146 141.253,147 3.898,148 252.15,149 140.881,150 4.326,151 500.191,152 47.404,153 1.571,154 4.489,155 4.401,156 4.377,157 4.758,158 3.149,159 7.647,160 0.316,161 2.151,162 1.955,163 5.043,164 9763,165 20240,166 29.875,167 47.872,168 52.614,169 49.482,170 46.666,171 46.662,172 137.649,173 44.537,174 3.569,175 3.474,176 3.499,177 3.391,178 3.417,179 3.128,180 0.149,181 4.638}
{0 CHEMBL148,1 4.593,2 26.004,3 59.454,4 69.987,5 0.872,6 154.153,7 78.973,8 2,9 2,10 36.267,11 1.437,12 0.849,13 0.141,14 2,15 -0.064,16 0.667,17 1.065,18 -0.159,19 2.769,20 1.024,21 3.761,22 4.078,23 10.8,24 6.467,25 5.056,26 135.657,27 16.786,28 135.657,29 23.276,30 -0.683,31 0.141,32 7.427,33 6.351,34 4.404,35 4.234,36 2.338,37 1.378,38 60.244,39 3.374,40 3.204,41 3.177,42 4.234,43 3.821,44 3.924,45 3.622,46 3.569,47 3.478,48 4.354,49 5.429,50 4.309,51 3.275,52 2.882,53 2.951,54 5.423,55 2.895,56 0.872,57 7.053,58 17.992,59 4.705,60 0.565,61 0.501,62 14.913,63 3.492,64 87.331,65 4.877,66 30,67 3.058,68 13.096,69 13.096,70 13.096,71 13.096,72 13.096,73 13.557,74 10.308,75 10.308,76 10.308,77 10.308,78 10.308,79 8.963,80 10.998,81 3.704,82 350,83 40.087,84 45.5,85 173,86 1.714,87 2.703,88 2.383,89 1.413,90 1.651,91 3.294,92 1.343,93 2.082,94 1.662,95 3.283,96 1.84,97 0.906,98 1.799,99 0.834,100 0.957,101 3.089,102 0.43,103 2.461,104 0.439,105 1.88,106 -0.369,107 -0.102,108 -1,109 -1.397,110 -0.994,111 -0.604,112 9.367,113 19.451,114 23.633,115 5.938,116 0.238,117 3196,118 11845,119 1.622,120 4.28,121 608.633,122 7.342,123 6189.67,124 4.201,125 88.123,126 0.016,127 17.2,128 3.091,129 3.434,130 4.234,131 4.407,132 5.078,133 299.39,134 3.091,135 4.635,136 5.509,137 6.435,138 7.353,139 21,140 8,141 20,142 4.556,143 7.468,144 3.297,145 11.361,146 94.169,147 3.121,148 145.393,149 86.439,150 2.737,151 406.613,152 37.876,153 0.906,154 4.111,155 4.003,156 1.799,157 4.29,158 0.43,159 7.132,160 -1,161 1.714,162 1.413,163 3.294,164 3426,165 6643,166 23.813,167 32.062,168 35.044,169 34.828,170 31.453,171 31.458,172 94.624,173 29.624,174 3.442,175 3.262,176 3.301,177 3.198,178 3.258,179 2.96,180 0.222,181 4.886}
{0 CHEMBL1727,1 4.724,2 21.242,3 51.195,4 69.276,5 1.029,6 188.192,7 109.446,8 2,10 40.655,11 1.976,12 1.437,13 0.802,14 2.682,15 0.658,16 0.883,17 0.988,18 -0.168,19 2.795,20 1.021,21 3.989,22 4.234,23 9.8,24 7.317,25 5.52,26 118.118,27 6.371,28 118.118,29 35.967,30 -1.345,31 0.802,32 7.432,33 6.351,34 4.69,35 4.414,36 2.712,37 1.432,38 65.602,39 3.531,40 3.391,41 3.367,42 4.332,43 4.045,44 4.018,45 3.826,46 3.706,47 3.681,48 4.495,49 5.774,50 4.448,51 3.477,52 3.498,53 3.409,54 5.637,55 3.326,56 1.102,57 8.016,58 18.409,59 5.908,60 0.443,61 0.724,62 16.463,63 5.747,64 84.775,65 6.713,66 38,67 3.229,68 15.742,69 15.742,70 15.742,71 15.742,72 15.742,73 16.02,74 12.754,75 12.754,76 12.754,77 12.754,78 12.754,79 10.499,80 13.225,81 3.898,82 484,83 44.808,84 53.5,85 229,86 1.942,87 2.915,88 2.528,89 1.559,90 2.045,91 4.535,92 1.506,93 2.5,94 1.906,95 3.826,96 2.253,97 1.277,98 3.103,99 1.232,100 1.756,101 3.562,102 2.136,103 3.247,104 1,105 2.579,106 0.359,107 0.237,108 -0.75,109 -0.964,110 -0.738,111 0.127,112 11.367,113 21.348,114 26.433,115 6.106,116 0.396,117 5960,118 19751,119 1.67,120 4.558,121 935.645,122 7.868,123 10882.1,124 4.478,125 113.483,126 0.02,127 18.771,128 3.296,129 3.664,130 4.431,131 4.477,132 5.767,133 347.43,134 3.296,135 4.86,136 5.74,137 6.65,138 7.555,139 26,140 8,141 24,142 5.25,143 8.99,144 4.076,145 13.854,146 153.024,147 3.503,148 196.035,149 106.039,150 2.982,151 433.947,152 41.876,153 1.277,154 4.344,155 4.273,156 3.103,157 4.59,158 2.136,159 7.418,160 -0.75,161 1.942,162 1.559,163 4.535,164 5909,165 10857,166 27.813,167 40.622,168 44.159,169 42.55,170 39.781,171 39.749,172 120.09,173 38.338,174 3.542,175 3.424,176 3.469,177 3.218,178 3.219,179 2.976,180 0.177,181 5.523}
{0 CHEMBL186,1 5.275,2 22.475,3 61.782,4 71.899,5 1.282,6 182.207,7 126.874,8 3,10 51.238,11 1.984,12 1.437,13 1.356,14 3.618,15 1.353,16 0.908,17 1.027,18 0.02,19 2.784,20 1.023,21 4.277,22 4.575,23 8.8,24 10.633,25 5.953,26 129.337,27 37.062,28 129.337,29 37.808,30 -1.501,31 1.356,32 7.433,33 6.351,34 4.902,35 4.469,36 2.926,37 1.458,38 89.385,39 3.897,40 3.668,41 3.639,42 4.727,43 4.306,44 4.414,45 4.182,46 4.217,47 4.173,48 5.075,49 6.296,50 5.216,51 4.248,52 4.146,53 3.949,54 6.216,55 3.854,56 1.699,57 12.526,58 45.66,59 12.799,60 1.032,61 1.329,62 38.859,63 10.69,64 167.987,65 12.3,66 52,67 3.503,68 21.129,69 21.129,70 21.129,71 21.129,72 21.129,73 21.917,74 17.195,75 17.195,76 17.195,77 17.195,78 17.195,79 14.702,80 18.504,81 4.185,82 801,83 65.718,84 72,85 375,86 2.393,87 3.232,88 2.918,89 1.964,90 2.296,91 5.681,92 1.862,93 2.853,94 2.741,95 4.783,96 2.5,97 1.57,98 4.591,99 1.418,100 2.514,101 4.591,102 4.078,103 3.858,104 2.198,105 3.535,106 1.203,107 1.542,108 0.618,109 0.618,110 0.574,111 0.744,112 15.233,113 34.939,114 36.667,115 8.851,116 0.762,117 13425,118 41315,119 1.747,120 4.971,121 1832.39,122 8.71,123 26383,124 4.896,125 167.133,126 0.055,127 33.457,128 3.584,129 3.97,130 4.736,131 4.875,132 7.037,133 481.64,134 3.584,135 5.165,136 6.043,137 6.967,138 7.87,139 35,140 13,141 32,142 6.958,143 11.997,144 5.381,145 18.903,146 200.109,147 4.146,148 301.077,149 156,150 4.562,151 591.735,152 58.294,153 1.57,154 4.654,155 4.522,156 4.591,157 4.956,158 4.078,159 7.837,160 0.618,161 2.393,162 1.964,163 5.681,164 12984,165 23073,166 37.835,167 54.427,168 59.157,169 56.86,170 53.425,171 53.456,172 164.195,173 49.815,174 3.817,175 3.563,176 3.593,177 3.417,178 3.452,179 3.217,180 0.132,181 3.523}
{0 CHEMBL29,1 4.655,2 14.53,3 52.755,4 71.481,5 0.958,6 181.22,7 98.738,8 2,10 36.824,11 2.01,12 1.953,13 0.524,14 2.863,15 0.456,16 0.786,17 0.935,18 -0.112,19 2.674,20 1.016,21 3.951,22 4.277,23 9.8,24 7.733,25 5.282,26 118.118,27 3.186,28 118.118,29 35.816,30 -1.555,31 0.524,32 7.432,33 6.351,34 4.372,35 4.044,36 2.66,37 1.424,38 63.171,39 3.498,40 3.393,41 3.354,42 4.364,43 3.958,44 4.024,45 3.798,46 3.628,47 3.577,48 4.418,49 5.633,50 4.324,51 3.42,52 3.401,53 3.382,54 5.667,55 3.283,56 1.023,57 7.961,58 14.316,59 5.563,60 0.508,61 0.691,62 17.299,63 5.905,64 101.938,65 6.595,66 38,67 3.189,68 14.8,69 14.8,70 14.8,71 14.8,72 14.8,73 15.066,74 12.338,75 12.338,76 12.338,77 12.338,78 12.338,79 10.52,80 12.813,81 3.855,82 464,83 44.915,84 51,85 219,86 2.09,87 2.865,88 2.452,89 1.474,90 2.005,91 4.487,92 1.438,93 2.5,94 1.861,95 3.793,96 2.264,97 1.286,98 2.983,99 1.24,100 1.561,101 3.566,102 2.136,103 3.247,104 0.813,105 2.513,106 0.249,107 0.035,108 -1,109 -1,110 -0.969,111 0.061,112 10.967,113 22.145,114 25.633,115 6.181,116 0.319,117 5390,118 16930,119 1.656,120 4.495,121 853.56,122 7.736,123 9646.32,124 4.403,125 107.323,126 0.041,127 18.665,128 3.258,129 3.664,130 4.443,131 4.522,132 5.696,133 334.43,134 3.258,135 4.844,136 5.72,137 6.661,138 7.569,139 25,140 7,141 23,142 4.875,143 8.64,144 3.949,145 13.796,146 117.711,147 3.432,148 185.383,149 98.042,150 2.857,151 440.881,152 41.658,153 1.286,154 4.344,155 4.262,156 2.983,157 4.59,158 2.136,159 7.295,160 -1,161 2.09,162 1.474,163 4.487,164 5349,165 9570,166 27.568,167 39.432,168 42.45,169 40.748,170 38.671,171 38.66,172 121.187,173 37.199,174 3.539,175 3.385,176 3.425,177 3.277,178 3.279,179 3.03,180 0.188,181 4.699}
{0 CHEMBL316157,1 4.88,2 15.019,3 43.006,4 57.926,5 1.007,6 164.052,7 87.023,8 2,10 39.456,11 1.956,12 1.437,13 1.114,14 3.247,15 1,16 0.888,17 0.939,18 -0.102,19 2.784,20 1.019,21 4.111,22 4.407,23 8.7,24 8.067,25 6.171,26 118.118,27 21.28,28 118.118,29 36.756,30 -0.999,31 1.114,32 7.432,33 6.351,34 4.662,35 4.37,36 2.812,37 1.482,38 65.539,39 3.759,40 3.581,41 3.534,42 4.465,43 4.118,44 4.212,45 3.954,46 3.964,47 3.915,48 4.693,49 5.93,50 4.721,51 4.079,52 3.83,53 3.698,54 5.95,55 3.611,56 1.337,57 10.398,58 27.13,59 9.498,60 0.613,61 1.007,62 22.789,63 8.497,64 107.488,65 8.934,66 44,67 3.375,68 18.913,69 18.913,70 18.913,71 18.913,72 18.913,73 19.496,74 15.329,75 15.329,76 15.329,77 15.329,78 15.329,79 12.199,80 16.28,81 4.066,82 691,83 54.663,84 61.5,85 318,86 2.108,87 3.252,88 2.905,89 1.95,90 2.352,91 5.36,92 1.853,93 2.831,94 2.408,95 4.608,96 2.398,97 1.425,98 4.094,99 1.371,100 1.907,101 3.61,102 3.022,103 3.584,104 2.118,105 3,106 0.68,107 1.075,108 0.143,109 0.16,110 0.131,111 0.618,112 13.7,113 25.533,114 29.8,115 7.177,116 0.613,117 10068,118 31574,119 1.711,120 4.772,121 1376.85,122 8.309,123 18112.8,124 4.736,125 140.663,126 0.045,127 29.908,128 3.466,129 3.807,130 4.595,131 4.7,132 6.689,133 416.54,134 3.466,135 5.017,136 5.883,137 6.786,138 7.678,139 31,140 9,141 28,142 6.111,143 10.483,144 4.701,145 16.553,146 188.338,147 4.009,148 244.97,149 130.606,150 3.99,151 489.272,152 46.894,153 1.425,154 4.489,155 4.377,156 4.094,157 4.663,158 3.022,159 7.534,160 0.143,161 2.108,162 1.95,163 5.36,164 9559,165 17067,166 32.841,167 47.505,168 50.709,169 48.121,170 46.61,171 46.694,172 136.235,173 44.034,174 3.848,175 3.563,176 3.59,177 3.345,178 3.37,179 3.169,180 0.149,181 4.046}
{0 CHEMBL44354,1 5.17,2 37.432,3 93.401,4 103.955,5 1.361,6 209.002,7 127.162,8 4,9 3,10 67.559,11 2.19,12 1.984,13 1.463,14 3.805,15 1.899,16 1.098,17 0.997,18 0.07,19 2.996,20 1.034,21 4.369,22 4.595,23 11.7,24 11.167,25 6.481,26 197.165,27 55.157,28 197.165,29 49.611,30 -3.909,31 1.463,32 7.472,33 7.423,34 6.35,35 5.164,36 2.985,37 1.322,38 122.993,39 4,40 3.749,41 3.74,42 4.722,43 4.457,44 4.484,45 4.209,46 4.21,47 4.207,48 5.014,49 6.404,50 5.262,51 4.586,52 4.498,53 4.243,54 6.43,55 4.166,56 1.675,57 11.612,58 38.187,59 12.677,60 1.235,61 1.761,62 49.479,63 14.837,64 194.791,65 14.779,66 59,67 3.642,68 24.007,69 24.007,70 24.007,71 24.007,72 24.007,73 24.82,74 19.662,75 19.662,76 19.662,77 19.662,78 19.662,79 15.936,80 20.969,81 4.324,82 1035,83 79.471,84 84,85 491,86 2.475,87 3.792,88 3.284,89 2.383,90 3.167,91 6.709,92 2.13,93 3.124,94 2.757,95 4.958,96 2.702,97 1.768,98 5.131,99 1.62,100 2.653,101 4.736,102 4.552,103 4.589,104 2.599,105 3.6,106 1.619,107 1.984,108 1,109 1.317,110 0.982,111 1.331,112 17.4,113 38.792,114 41.1,115 9.072,116 1.023,117 19839,118 70961,119 1.785,120 5.18,121 2575.74,122 9.137,123 41783.9,124 5.099,125 203.106,126 0.026,127 43.88,128 3.714,129 4.094,130 4.812,131 4.97,132 7.894,133 547.65,134 3.714,135 5.293,136 6.159,137 7.066,138 7.958,139 40,140 15,141 37,142 7.958,143 13.889,144 6.323,145 20.57,146 141.253,147 4.51,148 361.6,149 186.75,150 5.758,151 662.673,152 62.065,153 1.768,154 4.779,155 4.662,156 5.131,157 5.121,158 4.552,159 7.991,160 1,161 2.475,162 2.383,163 6.709,164 19319,165 36727,166 40.983,167 62.556,168 68.467,169 64.298,170 61.095,171 61.128,172 185.392,173 57.46,174 3.849,175 3.719,176 3.742,177 3.561,178 3.588,179 3.42,180 0.115,181 4.658}
{0 CHEMBL480517,1 4.92,2 44.853,3 131.769,4 131.296,5 1.574,6 272.67,7 270.99,8 2,10 72.926,11 2.612,12 2.013,13 1.381,14 3.598,15 1.492,16 1.172,17 0.946,18 -0.14,19 3.023,20 1.049,21 4.317,22 4.585,23 15.7,24 9.133,25 6.804,26 219.612,27 11.885,28 219.612,29 81.54,30 -2.3,31 1.381,32 7.811,33 7.432,34 6.999,35 6.999,36 3.089,37 1.253,38 123.629,39 3.947,40 3.68,41 3.668,42 4.561,43 4.358,44 4.446,45 4.146,46 4.049,47 4.062,48 4.784,49 6.439,50 4.807,51 4.354,52 4.356,53 3.978,54 6.352,55 3.968,56 1.477,57 11.199,58 23.59,59 9.883,60 1.198,61 1.316,62 25.846,63 10.311,64 200.149,65 8.785,66 55,67 3.588,68 22.982,69 22.982,70 22.982,71 22.982,72 22.982,73 23.567,74 18.708,75 18.708,76 18.708,77 18.708,78 18.708,79 14.425,80 19.636,81 4.273,82 1019,83 74.727,84 80,85 479,86 2.565,87 3.585,88 3.089,89 2.122,90 2.969,91 6.014,92 2.031,93 3.305,94 2.63,95 4.921,96 2.878,97 1.909,98 5.237,99 1.842,100 2.625,101 4.8,102 4.639,103 4.611,104 2.598,105 3.595,106 1.385,107 1.713,108 0.772,109 1.031,110 0.706,111 1.32,112 16.433,113 30.389,114 37.567,115 7.752,116 0.778,117 18209,118 76016,119 1.767,120 5.096,121 2338.94,122 8.952,123 37016.4,124 5.03,125 190.473,126 0.031,127 43.298,128 3.664,129 4.025,130 4.779,131 4.898,132 8.099,133 516.55,134 3.664,135 5.231,136 6.098,137 7.002,138 7.895,139 38,140 14,141 35,142 7.611,143 13.129,144 6.047,145 19.394,146 164.795,147 4.462,148 329.859,149 175.525,150 5.147,151 584.116,152 53.48,153 1.909,154 4.71,155 4.622,156 5.237,157 5.198,158 4.639,159 8.155,160 0.772,161 2.565,162 2.122,163 6.014,164 17601,165 36141,166 36.523,167 59.124,168 63.168,169 60.646,170 57.761,171 57.833,172 171.978,173 55.262,174 4.009,175 3.662,176 3.683,177 3.596,178 3.619,179 3.277,180 0.121,181 4.367}
{0 CHEMBL617,1 4.707,2 26.694,3 67.682,4 97.778,5 1.243,6 204.687,7 129.234,8 2,9 2,10 48.268,11 2.013,12 1.956,13 0.757,14 3,15 0.669,16 0.842,17 0.913,18 -0.163,19 2.922,20 1.036,21 3.989,22 4.277,23 14.3,24 7.733,25 5.569,26 154.263,27 14.185,28 154.263,29 47.111,30 -2.33,31 0.757,32 7.435,33 7.423,34 4.663,35 4.518,36 2.687,37 1.336,38 76.564,39 3.695,40 3.454,41 3.422,42 4.385,43 4.049,44 4.177,45 3.839,46 3.778,47 3.77,48 4.548,49 5.913,50 4.569,51 3.966,52 3.706,53 3.494,54 5.959,55 3.424,56 1.125,57 9.133,58 25.88,59 8.246,60 0.824,61 0.796,62 17.917,63 6.938,64 154.425,65 6.792,66 40,67 3.304,68 17.052,69 17.052,70 17.052,71 17.052,72 17.052,73 17.624,74 13.812,75 13.812,76 13.812,77 13.812,78 13.812,79 11.38,80 14.717,81 3.975,82 579,83 51.628,84 59,85 277,86 2.106,87 3.252,88 2.92,89 1.955,90 2.324,91 5.043,92 1.868,93 2.594,94 2.559,95 4.578,96 2.322,97 1.373,98 4.095,99 1.289,100 1.995,101 3.596,102 2.504,103 3.369,104 1.786,105 2.797,106 0.618,107 0.559,108 -0.398,109 -0.439,110 -0.37,111 0.539,112 12.467,113 24.801,114 28.933,115 6.926,116 0.535,117 7589,118 29501,119 1.692,120 4.664,121 1158.64,122 8.094,123 14488.9,124 4.601,125 127.399,126 0.034,127 27.053,128 3.367,129 3.714,130 4.454,131 4.575,132 6.378,133 396.48,134 3.367,135 4.92,136 5.778,137 6.683,138 7.575,139 28,140 10,141 26,142 5.694,143 9.754,144 4.372,145 14.666,146 164.795,147 3.739,148 214.374,149 122.211,150 4.091,151 471.955,152 43.505,153 1.373,154 4.394,155 4.279,156 4.095,157 4.649,158 2.504,159 7.467,160 -0.398,161 2.106,162 1.955,163 5.043,164 7551,165 14981,166 29.364,167 43.234,168 46.85,169 44.27,170 42.176,171 42.311,172 124.396,173 39.776,174 3.579,175 3.493,176 3.515,177 3.339,178 3.361,179 3.16,180 0.165,181 4.222}