@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL5297

@attribute molecule_id {CHEMBL233025,CHEMBL446309,CHEMBL446908,CHEMBL448822,CHEMBL449755,CHEMBL451848,CHEMBL464736,CHEMBL499260,CHEMBL499472,CHEMBL499480,CHEMBL499979,CHEMBL500288,CHEMBL501590,CHEMBL501813,CHEMBL501965,CHEMBL506021,CHEMBL509068,CHEMBL510927}
@attribute Eig03_AEA.bo. numeric
@attribute Eig04_AEA.bo. numeric
@attribute Eig05_AEA.bo. numeric
@attribute GATS2i numeric
@attribute GATS2p numeric
@attribute SM07_AEA.bo. numeric
@attribute SM08_AEA.bo. numeric
@attribute SssssC numeric
@attribute SpMAD_EA.ri. numeric
@attribute GATS4p numeric
@attribute MATS5p numeric
@attribute SM08_EA.bo. numeric
@attribute SM09_EA.bo. numeric
@attribute SM10_EA.bo. numeric
@attribute SM11_EA.bo. numeric
@attribute SM12_EA.bo. numeric
@attribute SM13_EA.bo. numeric
@attribute SM14_EA.bo. numeric
@attribute SM15_EA.bo. numeric
@attribute Eig06_EA.bo. numeric
@attribute H.046 numeric
@attribute MATS3i numeric
@attribute P_VSA_s_4 numeric
@attribute Eig03_AEA.ri. numeric
@attribute Eig03_EA numeric
@attribute Eig03_EA.ed. numeric
@attribute Eig03_EA.ri. numeric
@attribute Eig04_AEA.ed. numeric
@attribute Eig05_EA.bo. numeric
@attribute MAXDN numeric
@attribute SM03_EA.bo. numeric
@attribute SM03_EA.ed. numeric
@attribute SM04_EA.ed. numeric
@attribute SM05_AEA.ed. numeric
@attribute SM05_EA numeric
@attribute SM05_EA.ed. numeric
@attribute SM05_EA.ri. numeric
@attribute SM06_AEA.ed. numeric
@attribute SM06_EA numeric
@attribute SM06_EA.ed. numeric
@attribute SM06_EA.ri. numeric
@attribute SM07_AEA.ed. numeric
@attribute SM07_EA numeric
@attribute SM07_EA.ed. numeric
@attribute SM07_EA.ri. numeric
@attribute SM08_AEA.ed. numeric
@attribute SM08_EA numeric
@attribute SM08_EA.ed. numeric
@attribute SM08_EA.ri. numeric
@attribute SM09_AEA.ed. numeric
@attribute SM09_EA numeric
@attribute SM09_EA.ed. numeric
@attribute SM09_EA.ri. numeric
@attribute SM10_AEA.ed. numeric
@attribute SM10_EA numeric
@attribute SM10_EA.ed. numeric
@attribute SM10_EA.ri. numeric
@attribute SM11_AEA.bo. numeric
@attribute SM11_AEA.ed. numeric
@attribute SM11_EA numeric
@attribute SM11_EA.ed. numeric
@attribute SM11_EA.ri. numeric
@attribute SM12_AEA.dm. numeric
@attribute SM12_AEA.ed. numeric
@attribute SM12_EA numeric
@attribute SM12_EA.ed. numeric
@attribute SM12_EA.ri. numeric
@attribute SM13_AEA.ed. numeric
@attribute SM13_EA numeric
@attribute SM13_EA.ed. numeric
@attribute SM13_EA.ri. numeric
@attribute SM14_AEA.ed. numeric
@attribute SM14_EA numeric
@attribute SM14_EA.ed. numeric
@attribute SM14_EA.ri. numeric
@attribute SM15_AEA.ed. numeric
@attribute SM15_AEA.ri. numeric
@attribute SM15_EA numeric
@attribute SM15_EA.ed. numeric
@attribute SM15_EA.ri. numeric
@attribute BLI numeric
@attribute Eta_L_A numeric
@attribute IC5 numeric
@attribute X1Av numeric
@attribute Eig10_EA.bo. numeric
@attribute P_VSA_m_2 numeric
@attribute SM04_EA.bo. numeric
@attribute SM06_AEA.bo. numeric
@attribute SM06_EA.bo. numeric
@attribute ATSC5p numeric
@attribute Eig07_AEA.bo. numeric
@attribute Eig08_AEA.bo. numeric
@attribute SM05_EA.bo. numeric
@attribute SM07_EA.bo. numeric
@attribute VAR numeric
@attribute X3 numeric
@attribute X3sol numeric
@attribute Eig07_EA.bo. numeric
@attribute Eig09_AEA.bo. numeric
@attribute SM03_AEA.bo. numeric
@attribute SM04_AEA.bo. numeric
@attribute SM05_AEA.bo. numeric
@attribute BIC5 numeric
@attribute CIC4 numeric
@attribute GATS8i numeric
@attribute IC3 numeric
@attribute IC4 numeric
@attribute SIC4 numeric
@attribute P_VSA_e_2 numeric
@attribute P_VSA_i_2 numeric
@attribute P_VSA_p_3 numeric
@attribute P_VSA_v_3 numeric
@attribute AAC numeric
@attribute AECC numeric
@attribute ALOGP numeric
@attribute ALOGP2 numeric
@attribute AMR numeric
@attribute AMW numeric
@attribute ARR numeric
@attribute ATS1e numeric
@attribute ATS1i numeric
@attribute ATS1m numeric
@attribute ATS1p numeric
@attribute ATS1s numeric
@attribute ATS1v numeric
@attribute ATS2e numeric
@attribute ATS2i numeric
@attribute ATS2m numeric
@attribute ATS2p numeric
@attribute ATS2s numeric
@attribute ATS2v numeric
@attribute ATS3e numeric
@attribute ATS3i numeric
@attribute ATS3m numeric
@attribute ATS3p numeric
@attribute ATS3s numeric
@attribute ATS3v numeric
@attribute ATS4e numeric
@attribute ATS4i numeric
@attribute ATS4m numeric
@attribute ATS4p numeric
@attribute ATS4s numeric
@attribute ATS4v numeric
@attribute ATS5e numeric
@attribute ATS5i numeric
@attribute ATS5m numeric
@attribute ATS5p numeric
@attribute ATS5s numeric
@attribute ATS5v numeric
@attribute ATS6e numeric
@attribute ATS6i numeric
@attribute ATS6m numeric
@attribute ATS6p numeric
@attribute ATS6s numeric
@attribute ATS6v numeric
@attribute ATS7e numeric
@attribute ATS7i numeric
@attribute ATS7m numeric
@attribute ATS7p numeric
@attribute ATS7s numeric
@attribute ATS7v numeric
@attribute ATS8e numeric
@attribute ATS8i numeric
@attribute ATS8m numeric
@attribute ATS8p numeric
@attribute ATS8s numeric
@attribute ATS8v numeric
@attribute pXC50 numeric

@data
{1 4.116,2 4.044,3 4.001,4 1.409,5 1.322,6 12.135,7 13.495,9 1.443,10 0.89,11 0.028,12 11.866,13 12.862,14 14.209,15 15.283,16 16.591,17 17.71,18 18.995,19 20.145,20 3.151,21 12,22 0.006,23 110.663,24 3.955,25 2.972,26 9.603,27 2.914,28 6.202,29 3.262,30 3.227,31 5.338,32 8.334,33 11.408,34 11.589,35 7.321,36 13.105,37 7.234,38 13.344,39 8.728,40 15.7,41 8.597,42 15.124,43 9.531,44 17.728,45 9.388,46 16.922,47 10.745,48 20.155,49 10.565,50 18.732,51 11.706,52 22.337,53 11.506,54 20.552,55 12.845,56 24.704,57 12.613,58 2.972,59 22.38,60 13.881,61 26.965,62 13.622,63 9.603,64 24.215,65 14.994,66 29.314,67 14.704,68 26.055,69 16.066,70 31.618,71 15.747,72 27.899,73 17.173,74 33.966,75 16.822,76 29.748,77 3.262,78 18.265,79 36.297,80 17.882,81 1.032,82 0.295,83 6.443,84 0.344,85 2.842,86 375.618,87 7.448,88 10.789,89 9.59,90 26.937,91 3.876,92 3.788,93 7.976,94 10.437,95 534,96 23.036,97 23.315,98 3.109,99 3.747,100 6.889,101 8.162,102 9.461,103 0.885,104 0.737,105 0.992,106 6.068,107 6.371,108 0.896,109 212.169,110 179.95,111 212.169,112 212.169,113 1.662,114 21.739,115 -0.465,116 0.217,117 252.949,118 7.133,119 0.153,120 4.993,121 5.129,122 4.496,123 4.436,124 6.102,125 4.41,126 5.573,127 5.763,128 4.845,129 4.848,130 6.676,131 4.784,132 5.922,133 6.151,134 4.953,135 5.01,136 7.046,137 4.929,138 6.035,139 6.272,140 5.066,141 5.043,142 7.197,143 4.998,144 6.064,145 6.268,146 5.206,147 5.105,148 7.483,149 5.076,150 6.142,151 6.352,152 5.258,153 5.235,154 7.412,155 5.178,156 6.285,157 6.515,158 5.288,159 5.349,160 7.441,161 5.27,162 6.363,163 6.601,164 5.324,165 5.396,166 7.587,167 5.298,168 6.799}
{0 CHEMBL446309,1 4.196,2 4.087,3 3.875,4 1.205,5 1.103,6 12.052,7 13.463,8 -1.421,9 1.465,10 0.82,11 0.05,12 11.882,13 12.89,14 14.323,15 15.417,16 16.803,17 17.953,18 19.308,19 20.496,20 2.921,21 18,22 -0.187,23 168.488,24 3.972,25 2.984,26 10.007,27 2.947,28 6.459,29 3.156,30 3.031,31 5.182,32 8.554,33 11.603,34 11.557,35 7.378,36 13.688,37 7.238,38 13.407,39 8.766,40 16.376,41 8.584,42 15.29,43 9.76,44 18.76,45 9.535,46 17.197,47 11.019,48 21.354,49 10.754,50 19.123,51 12.148,52 23.853,53 11.836,54 21.063,55 13.374,56 26.426,57 13.019,58 2.984,59 23.015,60 14.56,61 28.971,62 14.158,63 10.007,64 24.976,65 15.782,66 31.543,67 15.336,68 26.945,69 16.994,70 34.109,71 16.501,72 28.92,73 18.221,74 36.687,75 17.681,76 30.901,77 3.156,78 19.446,79 39.264,80 18.859,81 1.049,82 0.288,83 5.701,84 0.35,85 2.276,86 278.071,87 7.269,88 10.659,89 9.509,90 22.076,91 3.589,92 3.553,93 7.839,94 10.37,95 282,96 16.364,97 17.043,98 2.703,99 3.5,100 6.63,101 7.944,102 9.286,103 0.833,104 1.03,105 1.128,106 5.49,107 5.642,108 0.846,109 235.124,110 202.904,111 235.124,112 235.124,113 1.541,114 14.755,115 4.086,116 16.697,117 190.325,118 6.824,119 0.235,120 4.67,121 4.804,122 4.154,123 4.179,124 5.727,125 4.121,126 5.248,127 5.443,128 4.569,129 4.602,130 6.252,131 4.513,132 5.584,133 5.786,134 4.683,135 4.803,136 6.685,137 4.692,138 5.803,139 6.066,140 4.794,141 4.818,142 6.877,143 4.734,144 5.749,145 5.962,146 4.864,147 4.834,148 7.085,149 4.781,150 5.801,151 6,152 4.888,153 4.953,154 7.036,155 4.873,156 5.939,157 6.17,158 4.939,159 5.088,160 7.012,161 4.978,162 6.033,163 6.267,164 4.946,165 5.15,166 7.153,167 5.016,168 6.981}
{0 CHEMBL446908,1 4.193,2 4.087,3 3.875,4 1.197,5 1.093,6 12.044,7 13.455,8 -1.419,9 1.475,10 0.83,11 0.044,12 11.874,13 12.882,14 14.317,15 15.411,16 16.798,17 17.948,18 19.304,19 20.493,20 2.898,21 15,22 -0.178,23 168.488,24 3.969,25 2.981,26 10.006,27 2.944,28 6.457,29 3.156,30 3.031,31 5.182,32 8.547,33 11.597,34 11.547,35 7.372,36 13.684,37 7.23,38 13.398,39 8.757,40 16.374,41 8.573,42 15.283,43 9.754,44 18.759,45 9.528,46 17.191,47 11.014,48 21.353,49 10.746,50 19.118,51 12.144,52 23.852,53 11.83,54 21.06,55 13.37,56 26.425,57 13.014,58 2.981,59 23.012,60 14.557,61 28.97,62 14.154,63 10.006,64 24.974,65 15.78,66 31.543,67 15.332,68 26.944,69 16.992,70 34.109,71 16.498,72 28.919,73 18.219,74 36.686,75 17.679,76 30.9,77 3.156,78 19.445,79 39.263,80 18.857,81 1.037,82 0.282,83 5.649,84 0.346,85 2.276,86 275.537,87 7.259,88 10.651,89 9.5,90 21.552,91 3.583,92 3.543,93 7.831,94 10.361,95 273,96 15.736,97 16.415,98 2.684,99 3.453,100 6.621,101 7.935,102 9.278,103 0.83,104 1.041,105 1.131,106 5.432,107 5.588,108 0.843,109 232.589,110 200.37,111 232.589,112 232.589,113 1.553,114 14.667,115 3.419,116 11.692,117 185.698,118 6.889,119 0.24,120 4.643,121 4.775,122 4.136,123 4.152,124 5.71,125 4.096,126 5.218,127 5.411,128 4.555,129 4.574,130 6.24,131 4.489,132 5.553,133 5.749,134 4.658,135 4.781,136 6.661,137 4.671,138 5.782,139 6.046,140 4.781,141 4.801,142 6.847,143 4.715,144 5.731,145 5.943,146 4.847,147 4.81,148 7.081,149 4.758,150 5.775,151 5.973,152 4.853,153 4.92,154 7.016,155 4.839,156 5.904,157 6.138,158 4.909,159 5.049,160 6.971,161 4.939,162 5.992,163 6.223,164 4.919,165 5.107,166 7.134,167 4.977,168 6.97}
{0 CHEMBL448822,1 4.411,2 4.156,3 4.087,4 1.17,5 1.073,6 12.198,7 13.623,8 -2.18,9 1.48,10 0.812,11 0.102,12 12.021,13 13.071,14 14.483,15 15.608,16 16.978,17 18.15,18 19.493,19 20.697,20 3.156,21 26,22 -0.257,23 186.139,24 4.353,25 3.351,26 12.097,27 3.299,28 6.524,29 3.445,30 3.039,31 5.308,32 8.774,33 11.792,34 11.726,35 7.576,36 13.925,37 7.465,38 13.597,39 8.948,40 16.596,41 8.803,42 15.499,43 9.981,44 18.992,45 9.811,46 17.421,47 11.238,48 21.573,49 11.036,50 19.359,51 12.384,52 24.067,53 12.154,54 21.309,55 13.609,56 26.627,57 13.35,58 3.351,59 23.268,60 14.802,61 29.162,62 14.512,63 12.097,64 25.234,65 16.023,66 31.722,67 15.702,68 27.206,69 17.236,70 34.276,71 16.883,72 29.183,73 18.46,74 36.842,75 18.075,76 31.163,77 3.445,78 19.683,79 39.407,80 19.266,81 1.06,82 0.296,83 5.744,84 0.353,85 2.278,86 295.722,87 7.35,88 10.788,89 9.62,90 24.42,91 3.595,92 3.57,93 7.985,94 10.536,95 309,96 17.864,97 18.543,98 2.85,99 3.529,100 6.71,101 8.039,102 9.398,103 0.826,104 1.104,105 1.126,106 5.55,107 5.69,108 0.837,109 252.774,110 220.555,111 252.774,112 252.774,113 1.505,114 15.519,115 5.422,116 29.396,117 204.001,118 6.65,119 0.222,120 4.748,121 4.884,122 4.208,123 4.257,124 5.786,125 4.193,126 5.333,127 5.534,128 4.635,129 4.69,130 6.306,131 4.597,132 5.677,133 5.877,134 4.768,135 4.908,136 6.764,137 4.792,138 5.937,139 6.207,140 4.85,141 4.922,142 6.992,143 4.824,144 5.853,145 6.082,146 4.91,147 4.917,148 7.139,149 4.851,150 5.868,151 6.069,152 4.971,153 5.037,154 7.083,155 4.956,156 6.026,157 6.251,158 5.027,159 5.186,160 7.113,161 5.079,162 6.139,163 6.375,164 5.026,165 5.263,166 7.234,167 5.124,168 7.095}
{0 CHEMBL449755,1 4.206,2 4.087,3 3.875,4 1.207,5 1.112,6 12.089,7 13.499,8 -1.433,9 1.468,10 0.82,11 0.048,12 11.909,13 12.922,14 14.348,15 15.445,16 16.826,17 17.977,18 19.328,19 20.516,20 3.069,21 25,22 -0.2,23 177.314,24 3.991,25 3.001,26 10.028,27 2.966,28 6.47,29 3.156,30 3.035,31 5.215,32 8.588,33 11.638,34 11.604,35 7.421,36 13.71,37 7.288,38 13.452,39 8.808,40 16.395,41 8.636,42 15.331,43 9.797,44 18.772,45 9.584,46 17.234,47 11.054,48 21.363,49 10.8,50 19.156,51 12.177,52 23.858,53 11.878,54 21.092,55 13.4,56 26.43,57 13.058,58 3.001,59 23.04,60 14.582,61 28.973,62 14.193,63 10.028,64 24.997,65 15.801,66 31.545,67 15.367,68 26.963,69 17.01,70 34.111,71 16.528,72 28.935,73 18.234,74 36.688,75 17.705,76 30.913,77 3.156,78 19.457,79 39.264,80 18.88,81 1.07,82 0.299,83 5.841,84 0.357,85 2.277,86 289.431,87 7.299,88 10.696,89 9.538,90 24.129,91 3.593,92 3.566,93 7.874,94 10.405,95 324,96 17.352,97 18.031,98 2.815,99 3.525,100 6.673,101 7.984,102 9.324,103 0.84,104 1.007,105 1.139,106 5.647,107 5.787,108 0.852,109 246.483,110 214.264,111 246.483,112 246.483,113 1.505,114 16.077,115 5.461,116 29.824,117 204.101,118 6.65,119 0.222,120 4.748,121 4.884,122 4.208,123 4.257,124 5.781,125 4.193,126 5.333,127 5.533,128 4.619,129 4.682,130 6.304,131 4.586,132 5.675,133 5.884,134 4.742,135 4.887,136 6.741,137 4.769,138 5.896,139 6.163,140 4.85,141 4.903,142 6.949,143 4.81,144 5.839,145 6.058,146 4.916,147 4.915,148 7.143,149 4.853,150 5.886,151 6.094,152 4.95,153 5.029,154 7.093,155 4.945,156 6.008,157 6.237,158 5.015,159 5.169,160 7.077,161 5.061,162 6.121,163 6.354,164 5.032,165 5.25,166 7.227,167 5.115,168 7.075}
{0 CHEMBL451848,1 4.197,2 4.087,3 3.875,4 1.207,5 1.112,6 12.078,7 13.485,8 -1.432,9 1.465,10 0.844,11 0.078,12 11.891,13 12.899,14 14.33,15 15.424,16 16.808,17 17.958,18 19.312,19 20.5,20 2.945,21 24,22 -0.186,23 177.314,24 3.975,25 2.986,26 10.007,27 2.95,28 6.46,29 3.156,30 3.035,31 5.215,32 8.574,33 11.622,34 11.587,35 7.409,36 13.696,37 7.273,38 13.431,39 8.796,40 16.383,41 8.62,42 15.309,43 9.78,44 18.763,45 9.562,46 17.212,47 11.038,48 21.356,49 10.779,50 19.134,51 12.161,52 23.854,53 11.855,54 21.072,55 13.385,56 26.426,57 13.036,58 2.986,59 23.022,60 14.568,61 28.971,62 14.171,63 10.007,64 24.981,65 15.789,66 31.544,67 15.347,68 26.949,69 16.999,70 34.109,71 16.509,72 28.923,73 18.225,74 36.687,75 17.688,76 30.903,77 3.156,78 19.449,79 39.264,80 18.865,81 1.068,82 0.298,83 5.841,84 0.356,85 2.277,86 289.431,87 7.294,88 10.688,89 9.524,90 23.576,91 3.592,92 3.563,93 7.858,94 10.383,95 322,96 17.169,97 17.848,98 2.758,99 3.521,100 6.673,101 7.982,102 9.32,103 0.84,104 1.007,105 1.143,106 5.573,107 5.787,108 0.852,109 246.483,110 214.264,111 246.483,112 246.483,113 1.505,114 16.096,115 5.25,116 27.567,117 204.075,118 6.65,119 0.222,120 4.748,121 4.884,122 4.208,123 4.257,124 5.781,125 4.193,126 5.333,127 5.533,128 4.619,129 4.682,130 6.305,131 4.586,132 5.675,133 5.884,134 4.731,135 4.891,136 6.733,137 4.769,138 5.899,139 6.169,140 4.851,141 4.904,142 6.94,143 4.808,144 5.842,145 6.065,146 4.908,147 4.897,148 7.155,149 4.839,150 5.856,151 6.056,152 4.932,153 5.01,154 7.072,155 4.928,156 5.997,157 6.228,158 5.018,159 5.161,160 7.058,161 5.053,162 6.113,163 6.341,164 5.034,165 5.243,166 7.239,167 5.114,168 7.055}
{0 CHEMBL464736,1 4.239,2 4.088,3 4.071,4 1.174,5 1.086,6 12.152,7 13.562,8 -1.465,9 1.476,10 0.828,11 0.067,12 12.115,13 13.102,14 14.58,15 15.665,16 17.082,17 18.23,18 19.608,19 20.799,20 3.156,21 15,22 -0.218,23 207.044,24 3.999,25 3.008,26 10.044,27 2.975,28 6.473,29 3.446,30 3.049,31 5.255,32 8.601,33 11.657,34 11.622,35 7.427,36 13.723,37 7.295,38 13.467,39 8.83,40 16.408,41 8.662,42 15.345,43 9.806,44 18.781,45 9.595,46 17.247,47 11.07,48 21.37,49 10.821,50 19.167,51 12.187,52 23.863,53 11.892,54 21.102,55 13.412,56 26.434,57 13.075,58 3.008,59 23.049,60 14.59,61 28.976,62 14.206,63 10.044,64 25.006,65 15.81,66 31.547,67 15.381,68 26.97,69 17.017,70 34.112,71 16.54,72 28.942,73 18.241,74 36.689,75 17.717,76 30.919,77 3.446,78 19.463,79 39.265,80 18.891,81 1.014,82 0.269,83 5.782,84 0.338,85 2.515,86 317.279,87 7.445,88 10.76,89 9.716,90 23.159,91 3.595,92 3.57,93 7.96,94 10.54,95 319,96 18.091,97 18.77,98 2.863,99 3.53,100 6.74,101 8.05,102 9.389,103 0.833,104 1.029,105 1.108,106 5.449,107 5.699,108 0.847,109 274.331,110 242.111,111 274.331,112 274.331,113 1.536,114 16.151,115 5.084,116 25.843,117 205.87,118 7.019,119 0.321,120 4.716,121 4.844,122 4.23,123 4.253,124 5.793,125 4.199,126 5.28,127 5.463,128 4.642,129 4.675,130 6.31,131 4.592,132 5.619,133 5.814,134 4.752,135 4.87,136 6.727,137 4.762,138 5.839,139 6.098,140 4.853,141 4.867,142 6.926,143 4.788,144 5.779,145 5.987,146 4.915,147 4.876,148 7.127,149 4.83,150 5.823,151 6.017,152 4.955,153 5.005,154 7.064,155 4.932,156 5.965,157 6.186,158 5.034,159 5.151,160 7.066,161 5.055,162 6.072,163 6.295,164 5.043,165 5.228,166 7.219,167 5.107,168 7.101}
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