@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL3195

@attribute molecule_id {CHEMBL1159913,CHEMBL1649588,CHEMBL1649949,CHEMBL1649954,CHEMBL1649955,CHEMBL1649956,CHEMBL1649957,CHEMBL1649958,CHEMBL1649969,CHEMBL1649970,CHEMBL1649974,CHEMBL1649975,CHEMBL1928735,CHEMBL1928736,CHEMBL1928737,CHEMBL1928738,CHEMBL27850,CHEMBL27914,CHEMBL28016,CHEMBL281450,CHEMBL283017,CHEMBL283230,CHEMBL285370,CHEMBL28549,CHEMBL285592,CHEMBL28570,CHEMBL28577,CHEMBL28578,CHEMBL28601,CHEMBL286706,CHEMBL28746,CHEMBL287626,CHEMBL29022,CHEMBL29023,CHEMBL29220,CHEMBL29256,CHEMBL29279,CHEMBL29396,CHEMBL29608,CHEMBL29958,CHEMBL29964,CHEMBL30144,CHEMBL416203,CHEMBL418388,CHEMBL87351}
@attribute ATSC1e 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 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 ATSC3e 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 pXC50 numeric

@data
{1 0.146,2 1.745,3 7.818,4 2.162,5 4.675,6 78.163,7 8.453,8 0.522,9 3.685,10 3.79,11 3.316,12 3.229,13 5.023,14 3.238,15 4.137,16 4.271,17 3.655,18 3.574,19 5.568,20 3.565,21 4.43,22 4.615,23 3.731,24 3.686,25 5.84,26 3.662,27 4.446,28 4.638,29 3.66,30 3.653,31 5.909,32 3.617,33 4.388,34 4.585,35 3.642,36 3.687,37 5.605,38 3.635,39 4.502,40 4.711,41 3.728,42 3.697,43 5.822,44 3.659,45 4.508,46 4.729,47 3.701,48 3.54,49 5.986,50 3.534,51 4.389,52 4.617,53 3.422,54 3.125,55 6.138,56 3.154,57 0.636,58 5.688,59 3.299,60 28.549,61 3.514,62 0.3,63 0.982,64 9.959,65 5.291,66 57.714,67 5.964,68 0.558,69 1.223,70 16.86,71 7.018,72 107.089,73 7.962,74 0.746,75 1.284,76 18.305,77 7.096,78 135.325,79 7.954,80 0.411,81 1.152,82 16.016,83 7.067,84 73.847,85 8.52,86 0.552,87 1.309,88 18.719,89 7.39,90 92.281,91 8.916,92 0.615,93 1.239,94 19.967,95 6.904,96 101.231,97 8.333,98 1.113,99 0.957,100 21.076,101 5.533,102 189.814,103 5.964,104 30,105 31,106 0.318,107 0.687,108 0.832,109 0.911,110 0.921,111 0.921,112 3.147,113 0.852,114 -1.43,115 -1.51,116 5}
{0 CHEMBL1649588,1 0.026,2 1.431,3 10.12,4 4.886,5 23.875,6 98.31,7 8.034,8 0.821,9 3.821,10 3.932,11 3.47,12 3.463,13 5.008,14 3.441,15 4.288,16 4.433,17 3.822,18 3.826,19 5.434,20 3.792,21 4.515,22 4.705,23 3.876,24 3.919,25 5.649,26 3.871,27 4.551,28 4.75,29 3.844,30 3.906,31 5.695,32 3.854,33 4.55,34 4.753,35 3.835,36 3.898,37 5.772,38 3.838,39 4.517,40 4.742,41 3.549,42 3.804,43 5.592,44 3.693,45 4.374,46 4.633,47 3.316,48 3.575,49 5.378,50 3.448,51 4.119,52 4.382,53 3.176,54 3.331,55 5.111,56 3.239,57 0.633,58 6.773,59 3.488,60 6.133,61 4.321,62 0.062,63 1.018,64 12.017,65 5.749,66 10.1,67 7.257,68 0.195,69 1.308,70 17.51,71 7.113,72 24.368,73 8.995,74 0.164,75 1.357,76 18.549,77 7.338,78 29.408,79 9.028,80 0.287,81 1.391,82 18.772,83 7.375,84 41.408,85 9.347,86 0.173,87 1.245,88 19.249,89 7.979,90 37.426,91 10.143,92 0.14,93 1.041,94 18.23,95 7.382,96 32.633,97 9.829,98 0.148,99 0.821,100 14.331,101 5.332,102 26.017,103 7.044,104 5,105 39,106 0.247,107 0.471,108 0.58,109 0.748,110 0.837,111 0.837,112 3.268,113 0.864,114 -7.16,115 -6.95,116 6.469}
{0 CHEMBL1649949,1 0.053,2 1.297,3 10.042,4 4.681,5 21.909,6 98.094,7 7.595,8 0.852,9 3.81,10 3.925,11 3.422,12 3.465,13 4.938,14 3.429,15 4.274,16 4.424,17 3.754,18 3.829,19 5.326,20 3.775,21 4.491,22 4.692,23 3.77,24 3.923,25 5.469,26 3.846,27 4.525,28 4.734,29 3.737,30 3.911,31 5.52,32 3.825,33 4.521,34 4.736,35 3.681,36 3.903,37 5.517,38 3.806,39 4.49,40 4.725,41 3.446,42 3.809,43 5.399,44 3.665,45 4.348,46 4.618,47 3.19,48 3.58,49 5.17,50 3.416,51 4.095,52 4.367,53 3.1,54 3.335,55 4.946,56 3.216,57 0.557,58 7.531,59 3.453,60 8.494,61 4.602,62 0.105,63 0.9,64 12.939,65 5.693,66 11.271,67 7.697,68 0.129,69 1.121,70 17.813,71 7.043,72 17.649,73 9.602,74 0.141,75 1.168,76 18.703,77 7.238,78 21.594,79 9.883,80 0.15,81 1.157,82 18.835,83 7.302,84 23.69,85 9.976,86 0.117,87 1.075,88 18.922,89 7.88,90 22.833,91 10.96,92 0.096,93 0.916,94 17.531,95 7.315,96 20.079,97 10.364,98 0.097,99 0.736,100 13.714,101 5.284,102 15.317,103 7.465,104 2,105 37,106 0.224,107 0.427,108 0.533,109 0.698,110 0.795,111 0.804,112 3.229,113 0.885,114 -6.78,115 -6.59,116 5.854}
{0 CHEMBL1649954,1 0.036,2 1.431,3 10.12,4 5.345,5 28.57,6 102.898,7 8.435,8 0.821,9 3.817,10 3.924,11 3.511,12 3.492,13 4.964,14 3.455,15 4.283,16 4.423,17 3.88,18 3.866,19 5.369,20 3.812,21 4.506,22 4.689,23 3.965,24 3.973,25 5.548,26 3.898,27 4.542,28 4.731,29 3.933,30 3.973,31 5.594,32 3.887,33 4.54,34 4.733,35 3.958,36 3.964,37 5.633,38 3.873,39 4.507,40 4.723,41 3.634,42 3.867,43 5.485,44 3.723,45 4.364,46 4.616,47 3.418,48 3.644,49 5.264,50 3.483,51 4.11,52 4.365,53 3.241,54 3.387,55 5.021,56 3.266,57 0.545,58 6.38,59 3.247,60 6.649,61 4.245,62 0.079,63 0.881,64 11.75,65 5.495,66 9.086,67 7.246,68 0.165,69 1.091,70 18.885,71 7.083,72 18.397,73 9.177,74 0.152,75 1.137,76 20.517,77 7.394,78 21.417,79 9.446,80 0.226,81 1.118,82 20.785,83 7.397,84 27.909,85 9.559,86 0.145,87 1.046,88 21.997,89 8.091,90 26.18,91 10.686,92 0.119,93 0.895,94 20.711,95 7.634,96 23.552,97 10.369,98 0.124,99 0.722,100 16.485,101 5.592,102 17.882,103 7.472,104 5,105 39,106 0.247,107 0.471,108 0.58,109 0.748,110 0.837,111 0.837,112 3.268,113 0.905,114 -7.26,115 -7.05,116 6.553}
{0 CHEMBL1649955,1 0.096,2 1.559,3 10.429,4 5.623,5 31.618,6 104.067,7 8.623,8 0.742,9 3.904,10 4.009,11 3.591,12 3.513,13 5.126,14 3.512,15 4.415,16 4.553,17 4.039,18 3.882,19 6.078,20 3.876,21 4.587,22 4.765,23 4.023,24 3.995,25 5.783,26 3.969,27 4.704,28 4.894,29 4.099,30 4.01,31 6.03,32 3.994,33 4.732,34 4.926,35 4.073,36 4.014,37 6.052,38 4,39 4.721,40 4.931,41 3.997,42 3.922,43 6.167,44 3.881,45 4.591,46 4.84,47 3.61,48 3.703,49 5.841,50 3.631,51 4.346,52 4.591,53 3.514,54 3.459,55 5.653,56 3.433,57 0.841,58 6.175,59 3.94,60 16.561,61 4.354,62 0.732,63 1.714,64 13.081,65 6.633,66 122.993,67 7.359,68 0.285,69 1.532,70 16.666,71 7.77,72 27.979,73 9.274,74 0.591,75 1.845,76 20.194,77 8.384,78 42.803,79 9.553,80 0.542,81 1.891,82 21.681,83 9.089,84 74.632,85 9.806,86 0.754,87 1.909,88 22.34,89 9.087,90 86.086,91 10.748,92 0.591,93 1.5,94 23.515,95 8.996,96 84.059,97 10.49,98 0.467,99 1.223,100 18.263,101 6.59,102 62.036,103 7.562,104 18,105 45,106 0.266,107 0.495,108 0.594,109 0.749,110 0.831,111 0.831,112 3.375,113 0.841,114 -7.59,115 -7.36,116 6.222}
{0 CHEMBL1649956,1 0.042,2 1.342,3 10.231,4 4.56,5 20.79,6 103.831,7 8.01,8 0.793,9 3.837,10 3.946,11 3.488,12 3.504,13 5.047,14 3.476,15 4.292,16 4.435,17 3.822,18 3.869,19 5.388,20 3.825,21 4.52,22 4.707,23 3.885,24 3.983,25 5.589,26 3.923,27 4.578,28 4.774,29 3.885,30 3.992,31 5.7,32 3.926,33 4.584,34 4.785,35 3.859,36 3.991,37 5.725,38 3.92,39 4.559,40 4.78,41 3.653,42 3.898,43 5.683,44 3.784,45 4.421,46 4.679,47 3.364,48 3.678,49 5.419,50 3.539,51 4.17,52 4.429,53 3.251,54 3.43,55 5.202,56 3.331,57 0.575,58 6.794,59 3.313,60 9.297,61 4.248,62 0.086,63 0.918,64 11.862,65 5.515,66 8.424,67 7.225,68 0.112,69 1.162,70 16.881,71 6.961,72 17.21,73 9.13,74 0.164,75 1.262,76 18.219,77 7.188,78 25.364,79 9.368,80 0.147,81 1.257,82 18.601,83 7.335,84 29.415,85 9.578,86 0.17,87 1.204,88 19.003,89 7.861,90 37.571,91 10.595,92 0.117,93 1.014,94 18.372,95 7.468,96 32.791,97 10.353,98 0.113,99 0.815,100 14.372,101 5.437,102 25.326,103 7.456,104 6,105 40,106 0.229,107 0.482,108 0.586,109 0.749,110 0.834,111 0.834,112 3.305,113 0.864,114 -6.39,115 -6.22,116 6.585}
{0 CHEMBL1649957,1 0.054,2 1.428,3 10.12,4 4.413,5 19.477,6 99.788,7 7.795,8 0.821,9 3.846,10 3.953,11 3.465,12 3.473,13 5.026,14 3.449,15 4.298,16 4.439,17 3.812,18 3.84,19 5.409,20 3.801,21 4.529,22 4.713,23 3.863,24 3.942,25 5.612,26 3.886,27 4.585,28 4.78,29 3.833,30 3.939,31 5.669,32 3.876,33 4.591,34 4.792,35 3.817,36 3.936,37 5.727,38 3.863,39 4.563,40 4.786,41 3.543,42 3.844,43 5.579,44 3.722,45 4.423,46 4.683,47 3.303,48 3.618,49 5.355,50 3.476,51 4.171,52 4.433,53 3.172,54 3.376,55 5.103,56 3.269,57 0.578,58 7.559,59 3.588,60 9.228,61 4.48,62 0.079,63 0.922,64 12.698,65 5.826,66 9.283,67 7.568,68 0.179,69 1.149,70 18.02,71 7.192,72 21.377,73 9.422,74 0.172,75 1.22,76 19.576,77 7.47,78 25.512,79 9.661,80 0.257,81 1.211,82 19.978,83 7.746,84 35.482,85 10.243,86 0.177,87 1.142,88 20.297,89 8.124,90 33.684,91 10.744,92 0.136,93 0.962,94 19.145,95 7.697,96 29.414,97 10.593,98 0.137,99 0.772,100 14.976,101 5.573,102 22.276,103 7.643,104 5,105 39,106 0.245,107 0.486,108 0.591,109 0.755,110 0.842,111 0.842,112 3.268,113 0.868,114 -6.24,115 -6.08,116 6.167}
{0 CHEMBL1649958,1 0.059,2 1.287,3 10.12,4 5.167,5 26.697,6 103.135,7 7.396,8 0.821,9 3.872,10 3.99,11 3.459,12 3.519,13 4.981,14 3.477,15 4.349,16 4.511,17 3.802,18 3.888,19 5.371,20 3.83,21 4.555,22 4.748,23 3.847,24 4.002,25 5.533,26 3.925,27 4.646,28 4.859,29 3.822,30 4.02,31 5.614,32 3.928,33 4.664,34 4.886,35 3.796,36 4.027,37 5.632,38 3.923,39 4.647,40 4.887,41 3.543,42 3.935,43 5.554,44 3.787,45 4.513,46 4.794,47 3.29,48 3.718,49 5.307,50 3.542,51 4.265,52 4.545,53 3.171,54 3.476,55 5.086,56 3.334,57 0.6,58 8.489,59 3.832,60 9.435,61 5.182,62 0.118,63 0.973,64 14.811,65 6.393,66 12.551,67 8.785,68 0.129,69 1.196,70 19.167,71 7.628,72 18.398,73 10.548,74 0.173,75 1.323,76 21.719,77 8.186,78 23.928,79 11.371,80 0.157,81 1.321,82 22.373,83 8.794,84 25.901,85 12.279,86 0.169,87 1.28,88 22.603,89 8.888,90 28.811,91 12.456,92 0.114,93 1.068,94 20.988,95 8.746,96 23.627,97 12.491,98 0.11,99 0.857,100 16.378,101 6.397,102 18.457,103 9.139,104 5,105 39,106 0.219,107 0.464,108 0.571,109 0.749,110 0.831,111 0.831,112 3.268,113 0.898,114 -7,115 -6.8,116 6.108}
{0 CHEMBL1649969,1 0.041,2 1.479,3 10.192,4 4.976,5 24.759,6 103.536,7 8.01,8 0.793,9 3.873,10 3.991,11 3.513,12 3.479,13 5.063,14 3.464,15 4.338,16 4.493,17 3.856,18 3.845,19 5.485,20 3.814,21 4.557,22 4.752,23 3.932,24 3.937,25 5.687,26 3.892,27 4.595,28 4.797,29 3.921,30 3.924,31 5.753,32 3.891,33 4.625,34 4.833,35 3.923,36 3.937,37 5.854,38 3.888,39 4.559,40 4.773,41 3.708,42 3.866,43 5.667,44 3.781,45 4.522,46 4.767,47 3.464,48 3.722,49 5.598,50 3.605,51 4.349,52 4.626,53 3.258,54 3.504,55 5.281,56 3.378,57 0.703,58 7.335,59 3.589,60 6.925,61 4.439,62 0.148,63 1.115,64 13.041,65 5.911,66 12.626,67 7.455,68 0.209,69 1.377,70 18.53,71 7.563,72 25.065,73 9.803,74 0.222,75 1.45,76 19.549,77 7.093,78 31.232,79 8.771,80 0.409,81 1.527,82 20.506,83 7.336,84 48.071,85 9.478,86 0.169,87 1.318,88 19.231,89 7.709,90 30.268,91 9.912,92 0.251,93 1.269,94 20.754,95 8.111,96 47.105,97 10.25,98 0.186,99 0.977,100 18.474,101 6.865,102 31.579,103 9.419,104 6,105 40,106 0.253,107 0.5,108 0.602,109 0.762,110 0.846,111 0.846,112 3.305,113 0.86,114 -7.02,115 -6.82,116 6.959}
{0 CHEMBL1649970,1 0.047,2 1.559,3 10.192,4 5.151,5 26.53,6 99.806,7 8.224,8 0.793,9 3.857,10 3.959,11 3.52,12 3.461,13 5.07,14 3.455,15 4.325,16 4.46,17 3.861,18 3.82,19 5.503,20 3.8,21 4.51,22 4.683,23 3.938,24 3.91,25 5.682,26 3.878,27 4.57,28 4.761,29 3.926,30 3.894,31 5.749,32 3.874,33 4.607,34 4.799,35 3.936,36 3.898,37 5.887,38 3.867,39 4.506,40 4.696,41 3.71,42 3.811,43 5.643,44 3.747,45 4.458,46 4.68,47 3.462,48 3.67,49 5.578,50 3.574,51 4.304,52 4.569,53 3.261,54 3.474,55 5.266,56 3.361,57 0.651,58 6.7,59 3.624,60 6.482,61 4.229,62 0.249,63 1.028,64 12.52,65 5.871,66 16.079,67 6.939,68 0.24,69 1.281,70 16.576,71 7.291,72 23.784,73 9.045,74 0.264,75 1.383,76 18.497,77 7.025,78 31.332,79 8.261,80 0.53,81 1.422,82 19.852,83 7.373,84 55.513,85 8.833,86 0.225,87 1.17,88 17.681,89 7.459,90 27.768,91 8.935,92 0.316,93 1.186,94 18.913,95 7.634,96 47.454,97 9.039,98 0.215,99 0.947,100 17.344,101 6.539,102 31.316,103 8.786,104 6,105 40,106 0.268,107 0.486,108 0.591,109 0.755,110 0.842,111 0.842,112 3.305,113 0.846,114 -7.02,115 -6.82,116 6.004}
{0 CHEMBL1649974,1 0.032,2 1.416,3 10.192,4 5.553,5 30.837,6 102.937,7 7.805,8 0.793,9 3.883,10 3.996,11 3.505,12 3.517,13 5.042,14 3.489,15 4.363,16 4.516,17 3.851,18 3.883,19 5.471,20 3.839,21 4.601,22 4.807,23 3.926,24 3.973,25 5.693,26 3.918,27 4.62,28 4.822,29 3.916,30 3.966,31 5.756,32 3.92,33 4.642,34 4.846,35 3.909,36 3.992,37 5.82,38 3.928,39 4.609,40 4.821,41 3.706,42 3.936,43 5.691,44 3.832,45 4.583,46 4.834,47 3.467,48 3.781,49 5.618,50 3.645,51 4.392,52 4.677,53 3.256,54 3.54,55 5.296,56 3.403,57 0.675,58 7.76,59 3.868,60 6.612,61 4.898,62 0.076,63 1.091,64 13.883,65 6.437,66 11.22,67 8.316,68 0.204,69 1.401,70 20.338,71 8.072,72 26.715,73 10.614,74 0.216,75 1.465,76 20.581,77 7.5,78 31.207,79 9.387,80 0.322,81 1.511,82 21.136,83 8.028,84 43.616,85 10.377,86 0.149,87 1.366,88 20.739,89 8.788,90 33.996,91 11.32,92 0.215,93 1.326,94 22.453,95 9.099,96 47.621,97 11.715,98 0.176,99 1.022,100 19.495,101 7.354,102 31.566,103 10.115,104 6,105 40,106 0.241,107 0.486,108 0.605,109 0.76,110 0.842,111 0.842,112 3.305,113 0.892,114 -7.37,115 -7.16,116 6.638}
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