@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL5280

@attribute molecule_id {CHEMBL1029,CHEMBL184028,CHEMBL186068,CHEMBL186150,CHEMBL186291,CHEMBL187158,CHEMBL187208,CHEMBL307429,CHEMBL362754,CHEMBL364554,CHEMBL365496,CHEMBL369297}
@attribute GATS3m numeric
@attribute GATS4e numeric
@attribute GATS4s numeric
@attribute GATS6e numeric
@attribute GATS6m numeric
@attribute GATS6s numeric
@attribute GATS8e numeric
@attribute GATS8m numeric
@attribute GATS8s numeric
@attribute GATS8v numeric
@attribute JGI6 numeric
@attribute MATS2i numeric
@attribute MATS6m numeric
@attribute MATS8e numeric
@attribute MATS8s numeric
@attribute MATS8v numeric
@attribute MATS6s numeric
@attribute Eig15_AEA.bo. numeric
@attribute Eig15_AEA.dm. numeric
@attribute Eig15_AEA.ri. numeric
@attribute Eig15_EA numeric
@attribute Eig15_EA.bo. numeric
@attribute Eig15_EA.ed. numeric
@attribute Eig15_EA.ri. numeric
@attribute MATS7i numeric
@attribute MATS8m numeric
@attribute SM09_AEA.dm. numeric
@attribute SM10_AEA.ri. numeric
@attribute ATSC3e numeric
@attribute AAC numeric
@attribute AECC numeric
@attribute ALOGP numeric
@attribute ALOGP2 numeric
@attribute AMR numeric
@attribute AMW 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 ATSC1e numeric
@attribute ATSC1i numeric
@attribute ATSC1m numeric
@attribute ATSC1p numeric
@attribute ATSC1s numeric
@attribute ATSC1v numeric
@attribute ATSC2e numeric
@attribute ATSC2i numeric
@attribute ATSC2m numeric
@attribute ATSC2p numeric
@attribute ATSC2s numeric
@attribute ATSC2v numeric
@attribute ATSC3i numeric
@attribute ATSC3m numeric
@attribute ATSC3p numeric
@attribute ATSC3s numeric
@attribute ATSC3v numeric
@attribute ATSC4e numeric
@attribute ATSC4i numeric
@attribute ATSC4m numeric
@attribute ATSC4p numeric
@attribute ATSC4s numeric
@attribute ATSC4v numeric
@attribute ATSC5e numeric
@attribute ATSC5i numeric
@attribute ATSC5m numeric
@attribute ATSC5p numeric
@attribute ATSC5s numeric
@attribute ATSC5v numeric
@attribute ATSC6e numeric
@attribute ATSC6i numeric
@attribute ATSC6m numeric
@attribute ATSC6p numeric
@attribute ATSC6s numeric
@attribute ATSC6v numeric
@attribute ATSC7e numeric
@attribute ATSC7i numeric
@attribute ATSC7m numeric
@attribute ATSC7p numeric
@attribute ATSC7s numeric
@attribute ATSC7v numeric
@attribute ATSC8e numeric
@attribute ATSC8i numeric
@attribute ATSC8m numeric
@attribute ATSC8p numeric
@attribute ATSC8s numeric
@attribute ATSC8v numeric
@attribute BAC numeric
@attribute BBI numeric
@attribute BIC0 numeric
@attribute BIC1 numeric
@attribute BIC2 numeric
@attribute BIC3 numeric
@attribute BIC4 numeric
@attribute BIC5 numeric
@attribute BID numeric
@attribute BLI numeric
@attribute BLTA96 numeric
@attribute BLTD48 numeric
@attribute BLTF96 numeric
@attribute C. numeric
@attribute C.001 numeric
@attribute C.002 numeric
@attribute pXC50 numeric

@data
{1 0.955,2 0.955,3 0.936,4 0.977,5 0.985,6 1.015,7 1.375,8 1.043,9 1.413,10 0.697,11 0.025,12 -0.166,13 -0.046,14 -0.209,15 -0.202,16 0.043,17 -0.018,18 -1,19 -1.908,20 -1.037,21 -2,22 -2,23 -7.5,24 -1.942,25 -0.09,26 -0.088,27 -2,28 -7.5,29 0.721,30 1.463,31 6.267,32 -0.575,33 0.331,34 55.742,35 6.092,36 3.658,37 3.786,38 2.981,39 2.989,40 4.699,41 2.963,42 4.249,43 4.447,44 3.316,45 3.399,46 5.186,47 3.338,48 4.634,49 4.874,50 3.533,51 3.598,52 5.781,53 3.51,54 4.723,55 4.979,56 3.416,57 3.593,58 5.852,59 3.474,60 4.676,61 4.96,62 3.094,63 3.449,64 5.715,65 3.291,66 4.441,67 4.733,68 2.782,69 3.213,70 5.469,71 3.023,72 4.192,73 4.509,74 2.337,75 2.871,76 5.138,77 2.65,78 3.784,79 4.119,80 1.482,81 2.276,82 4.749,83 2.013,84 0.103,85 0.439,86 9.484,87 3.224,88 22.431,89 4.746,90 0.221,91 0.676,92 16.949,93 4.907,94 38.606,95 7.765,96 0.809,97 25.137,98 6.31,99 96.747,100 10.264,101 0.737,102 0.785,103 27.114,104 6.428,105 110.185,106 10.721,107 0.71,108 0.661,109 25.423,110 5.722,111 107.595,112 9.697,113 0.539,114 0.511,115 19.742,116 4.684,117 85.593,118 7.861,119 0.357,120 0.352,121 15.081,122 3.295,123 55.627,124 5.801,125 0.332,126 0.18,127 10.033,128 1.733,129 48.65,130 3.289,131 32,132 20,133 0.283,134 0.494,135 0.784,136 0.895,137 0.921,138 0.921,139 2.795,140 1.101,141 -0.42,142 -0.55,143 -0.7,144 27.8,145 1,146 2,147 6.377}
{0 CHEMBL184028,1 0.923,2 1.066,3 1.06,4 0.936,5 0.955,6 0.932,7 0.883,8 0.93,9 0.873,10 0.952,11 0.015,12 -0.254,13 -0.009,14 -0.051,15 -0.05,16 0.01,17 0.017,18 -0.408,19 -1.155,20 -0.464,21 -1.408,22 -1.408,23 -3.265,24 -1.312,25 0.008,26 0.002,27 -1.408,28 -3.265,29 0.73,30 1.355,31 10.45,32 1.655,33 2.738,34 77.724,35 5.676,36 3.974,37 4.114,38 3.235,39 3.364,40 4.918,41 3.302,42 4.584,43 4.792,44 3.535,45 3.783,46 5.418,47 3.668,48 4.992,49 5.265,50 3.723,51 3.954,52 5.995,53 3.809,54 5.042,55 5.322,56 3.585,57 3.926,58 6.046,59 3.76,60 4.959,61 5.259,62 3.353,63 3.819,64 5.844,65 3.621,66 4.822,67 5.129,68 3.174,69 3.674,70 5.691,71 3.465,72 4.662,73 4.974,74 3.008,75 3.538,76 5.412,77 3.326,78 4.525,79 4.834,80 2.925,81 3.418,82 5.282,83 3.216,84 0.098,85 0.638,86 13.372,87 5.034,88 16.557,89 7.229,90 0.174,91 0.999,92 23.411,93 7.928,94 29.139,95 12.009,96 1.197,97 34.097,98 9.719,99 98.687,100 15.368,101 0.783,102 1.152,103 35.386,104 9.594,105 112.889,106 15.314,107 0.58,108 1.028,109 31.477,110 8.844,111 82.969,112 14.113,113 0.519,114 0.887,115 27.112,116 7.698,117 74.147,118 12.279,119 0.335,120 0.773,121 22.807,122 6.68,123 44.45,124 10.643,125 0.28,126 0.684,127 19.985,128 5.863,129 37.106,130 9.342,131 37,132 25,133 0.239,134 0.416,135 0.627,136 0.756,137 0.852,138 0.908,139 3.055,140 1.204,141 -2.7,142 -2.71,143 -2.64,144 29.4,145 1,146 8,147 5.824}
{0 CHEMBL186068,1 0.95,2 0.932,3 0.917,4 0.928,5 0.933,6 0.926,7 0.921,8 0.935,9 0.908,10 0.944,11 0.016,12 -0.18,13 0.006,14 -0.061,15 -0.056,16 0.011,17 0.018,18 -0.501,19 -1.271,20 -0.585,21 -1.501,22 -1.501,23 -3.6,24 -1.383,25 0.007,27 -1.501,28 -3.6,29 0.724,30 1.373,31 9.579,32 1.249,33 1.561,34 74.146,35 5.738,36 3.919,37 4.056,38 3.194,39 3.292,40 4.874,41 3.238,42 4.529,43 4.741,44 3.494,45 3.704,46 5.374,47 3.602,48 4.914,49 5.179,50 3.681,51 3.891,52 5.922,53 3.756,54 4.982,55 5.257,56 3.581,57 3.886,58 5.983,59 3.728,60 4.946,61 5.243,62 3.32,63 3.776,64 5.866,65 3.584,66 4.775,67 5.085,68 3.117,69 3.604,70 5.655,71 3.396,72 4.58,73 4.89,74 2.938,75 3.444,76 5.35,77 3.239,78 4.431,79 4.736,80 2.849,81 3.311,82 5.213,83 3.117,84 0.086,85 0.598,86 12.621,87 4.602,88 16.475,89 6.692,90 0.193,91 0.93,92 22.256,93 7.114,94 29.242,95 10.968,96 1.117,97 31.958,98 9.004,99 90.717,100 14.238,101 0.706,102 1.1,103 33.593,104 9.162,105 98.32,106 14.656,107 0.637,108 0.976,109 31.482,110 8.383,111 91.7,112 13.551,113 0.525,114 0.821,115 26.049,116 7.127,117 75.476,118 11.511,119 0.332,120 0.697,121 21.254,122 6.002,123 44.506,124 9.665,125 0.275,126 0.609,127 18.401,128 5.189,129 36.951,130 8.36,131 36,132 24,133 0.246,134 0.424,135 0.689,136 0.83,137 0.9,138 0.915,139 3.008,140 1.185,141 -2.44,142 -2.47,143 -2.42,144 29.2,145 1,146 6,147 7.097}
{0 CHEMBL186150,1 0.951,2 0.941,3 0.925,4 0.965,5 0.936,6 0.961,7 0.969,8 1.008,9 1.018,10 1.065,11 0.019,12 -0.173,13 0.007,14 -0.078,15 -0.09,16 -0.088,17 0.006,18 -0.729,19 -1.545,20 -0.781,21 -1.729,22 -1.729,23 -5.215,24 -1.635,25 0.084,26 -0.074,27 -1.729,28 -5.215,29 0.698,30 1.413,31 7.941,32 0.337,33 0.114,34 64.944,35 5.89,36 3.797,37 3.93,38 3.093,39 3.152,40 4.79,41 3.11,42 4.399,43 4.605,44 3.409,45 3.563,46 5.284,47 3.479,48 4.784,49 5.038,50 3.61,51 3.755,52 5.854,53 3.64,54 4.86,55 5.128,56 3.502,57 3.75,58 5.919,59 3.609,60 4.82,61 5.111,62 3.217,63 3.622,64 5.795,65 3.445,66 4.624,67 4.929,68 2.988,69 3.419,70 5.566,71 3.227,72 4.393,73 4.698,74 2.773,75 3.232,76 5.224,77 3.046,78 4.204,79 4.493,80 2.609,81 3.078,82 5.071,83 2.887,84 0.078,85 0.519,86 11.062,87 3.914,88 19.167,89 5.72,90 0.178,91 0.803,92 19.633,93 6.01,94 33.525,95 9.371,96 0.963,97 28.611,98 7.655,99 93.576,100 12.259,101 0.691,102 0.943,103 30.395,104 7.795,105 103.677,106 12.694,107 0.642,108 0.819,109 28.467,110 7.008,111 98.829,112 11.603,113 0.526,114 0.666,115 23.006,116 5.762,117 80.416,118 9.561,119 0.337,120 0.547,121 18.101,122 4.738,123 48.144,124 7.753,125 0.24,126 0.458,127 15.002,128 4.133,129 38.922,130 6.644,131 34,132 22,133 0.262,134 0.457,135 0.743,136 0.879,137 0.917,138 0.917,139 2.907,140 1.148,141 -0.99,142 -1.09,143 -1.19,144 28.6,145 1,146 4,147 6.155}
{0 CHEMBL186291,1 0.921,2 1.071,3 1.065,4 0.952,5 0.957,6 0.949,7 0.921,8 0.935,9 0.912,10 0.944,11 0.016,12 -0.255,13 -0.01,14 -0.061,15 -0.06,16 0.011,17 0.012,18 -0.489,19 -1.311,20 -0.568,21 -1.489,22 -1.489,23 -3.598,24 -1.39,25 0.007,27 -1.489,28 -3.598,29 0.716,30 1.373,31 9.632,32 1.198,33 1.436,34 73.123,35 5.738,36 3.919,37 4.057,38 3.187,39 3.301,40 4.879,41 3.245,42 4.525,43 4.73,44 3.495,45 3.72,46 5.376,47 3.612,48 4.934,49 5.203,50 3.689,51 3.893,52 5.964,53 3.756,54 4.987,55 5.264,56 3.547,57 3.863,58 6.016,59 3.705,60 4.899,61 5.197,62 3.305,63 3.748,64 5.808,65 3.556,66 4.752,67 5.058,68 3.116,69 3.592,70 5.649,71 3.389,72 4.58,73 4.89,74 2.938,75 3.444,76 5.356,77 3.239,78 4.431,79 4.736,80 2.849,81 3.311,82 5.218,83 3.117,84 0.094,85 0.599,86 12.6,87 4.691,88 17.765,89 6.743,90 0.164,91 0.936,92 22.11,93 7.375,94 31.199,95 11.214,96 1.119,97 32.465,98 9.042,99 100.211,100 14.385,101 0.778,102 1.074,103 33.825,104 8.911,105 115.591,106 14.336,107 0.578,108 0.95,109 29.958,110 8.159,111 85.803,112 13.14,113 0.517,114 0.81,115 25.584,116 7.017,117 76.304,118 11.304,119 0.332,120 0.697,121 21.254,122 6.002,123 46.238,124 9.665,125 0.275,126 0.609,127 18.401,128 5.189,129 38.491,130 8.36,131 36,132 24,133 0.246,134 0.431,135 0.652,136 0.786,137 0.88,138 0.923,139 3.008,140 1.188,141 -2.44,142 -2.47,143 -2.42,144 29.2,145 1,146 7,147 6.229}
{0 CHEMBL187158,1 0.95,2 0.928,3 0.914,4 0.914,5 0.933,6 0.912,7 0.883,8 0.93,9 0.871,10 0.952,11 0.015,12 -0.183,13 0.006,14 -0.051,15 -0.049,16 0.01,17 0.022,18 -0.442,19 -1.179,20 -0.478,21 -1.442,22 -1.442,23 -3.275,24 -1.348,25 0.008,26 0.002,27 -1.442,28 -3.275,29 0.737,30 1.355,31 10.4,32 1.706,33 2.909,34 78.747,35 5.676,36 3.974,37 4.113,38 3.241,39 3.356,40 4.913,41 3.296,42 4.588,43 4.803,44 3.534,45 3.768,46 5.416,47 3.658,48 4.973,49 5.243,50 3.715,51 3.952,52 5.954,53 3.809,54 5.037,55 5.316,56 3.618,57 3.948,58 6.013,59 3.782,60 5.004,61 5.302,62 3.369,63 3.844,64 5.901,65 3.646,66 4.843,67 5.155,68 3.175,69 3.685,70 5.697,71 3.472,72 4.662,73 4.974,74 3.008,75 3.538,76 5.407,77 3.326,78 4.525,79 4.834,80 2.925,81 3.418,82 5.276,83 3.216,84 0.091,85 0.637,86 13.395,87 4.946,88 15.306,89 7.178,90 0.201,91 0.993,92 23.551,93 7.666,94 27.356,95 11.763,96 1.194,97 33.598,98 9.68,99 89.42,100 15.223,101 0.715,102 1.178,103 35.172,104 9.845,105 95.994,106 15.634,107 0.637,108 1.054,109 32.986,110 9.069,111 88.633,112 14.524,113 0.527,114 0.898,115 27.565,116 7.81,117 73.321,118 12.485,119 0.335,120 0.773,121 22.807,122 6.68,123 42.793,124 10.643,125 0.28,126 0.684,127 19.985,128 5.863,129 35.568,130 9.342,131 37,132 25,133 0.239,134 0.41,135 0.664,136 0.801,137 0.882,138 0.914,139 3.055,140 1.201,141 -2.7,142 -2.71,143 -2.64,144 29.4,145 1,146 7,147 7.097}
{0 CHEMBL187208,1 0.916,2 1.112,3 1.097,4 1.068,5 1.011,6 1.086,7 1.118,8 0.807,9 1.15,10 0.419,11 0.02,12 -0.268,13 -0.063,14 -0.124,15 -0.152,16 0.262,17 -0.035,25 -0.039,26 0.1,29 0.73,30 1.492,31 5.643,32 -1.083,33 1.172,34 50.118,35 6.221,36 3.581,37 3.707,38 2.912,39 2.908,40 4.656,41 2.891,42 4.159,43 4.341,44 3.267,45 3.33,46 5.135,47 3.275,48 4.578,49 4.817,50 3.502,51 3.512,52 5.793,53 3.438,54 4.653,55 4.905,56 3.328,57 3.468,58 5.857,59 3.366,60 4.528,61 4.807,62 2.966,63 3.288,64 5.617,65 3.136,66 4.298,67 4.596,68 2.512,69 2.969,70 5.39,71 2.771,72 3.879,73 4.212,74 1.768,75 2.456,76 4.816,77 2.199,78 3.237,79 3.61,80 0.673,81 1.661,82 4.06,83 1.344,84 0.127,85 0.401,86 8.676,87 2.971,88 25.862,89 4.305,90 0.213,91 0.621,92 15.38,93 4.611,94 44.958,95 7.207,96 0.731,97 23.91,98 5.663,99 109.671,100 9.421,101 0.849,102 0.678,103 25.8,104 5.49,105 133.868,106 9.408,107 0.666,108 0.548,109 22.252,110 4.759,111 104.503,112 8.257,113 0.582,114 0.382,115 17.478,116 3.576,117 91.574,118 6.323,119 0.333,120 0.216,121 11.18,122 2.105,123 49.364,124 3.953,125 0.214,126 0.084,127 5.738,128 0.868,129 30.333,130 1.791,131 31,132 19,133 0.296,134 0.531,135 0.782,136 0.883,137 0.923,138 0.935,139 2.734,140 1.077,141 -0.12,142 -0.26,143 -0.44,144 27.3,145 1,146 2,147 4.824}
{0 CHEMBL307429,1 0.946,2 1.097,3 1.087,4 0.861,5 0.756,6 0.863,12 -0.25,13 0.224,14 0.389,15 0.298,16 0.773,17 0.146,25 0.268,26 0.813,29 0.785,30 1.601,31 4.545,32 -2.44,33 5.954,34 36.574,35 6.8,36 3.305,37 3.417,38 2.7,39 2.568,40 4.48,41 2.598,42 3.851,43 4.007,44 3.054,45 2.985,46 4.957,47 2.981,48 4.271,49 4.486,50 3.247,51 3.13,52 5.648,53 3.095,54 4.283,55 4.53,56 2.867,57 2.926,58 5.634,59 2.842,60 3.926,61 4.229,62 2.058,63 2.396,64 5.129,65 2.229,66 3.11,67 3.438,68 1.28,69 1.551,70 4.417,71 1.356,72 1.953,73 2.278,74 0.225,75 0.655,76 2.833,77 0.503,78 0.635,79 0.899,80 0.007,81 0.135,82 0.693,83 0.067,84 0.184,85 0.278,86 6.231,87 1.931,88 33.446,89 2.826,90 0.305,91 0.419,92 10.992,93 2.987,94 55.111,95 4.763,96 0.451,97 17.968,98 3.596,99 117.274,100 6.311,101 0.903,102 0.33,103 18.802,104 2.893,105 138.229,106 5.653,107 0.656,108 0.171,109 13.36,110 1.703,111 100.167,112 3.696,113 0.325,114 0.06,115 5.873,116 0.668,117 49.916,118 1.544,119 0.083,120 0.014,121 1.668,122 0.162,123 11.903,124 0.41,125 0.008,126 0.002,127 0.232,128 0.031,129 0.986,130 0.078,131 18,132 15,133 0.349,134 0.593,135 0.805,136 0.92,137 0.964,138 0.964,139 2.525,140 0.968,141 0.89,142 0.69,143 0.41,144 25,147 7.412}
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