@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL5906

@attribute molecule_id {CHEMBL451911,CHEMBL460141,CHEMBL461187,CHEMBL462478,CHEMBL462694,CHEMBL466198,CHEMBL467023,CHEMBL468071,CHEMBL468271,CHEMBL468281,CHEMBL468282,CHEMBL468910,CHEMBL468911,CHEMBL469114,CHEMBL505390,CHEMBL506964,CHEMBL512119,CHEMBL512951,CHEMBL513340,CHEMBL513349,CHEMBL513697,CHEMBL517905,CHEMBL518672}
@attribute CATS2D_07_DA numeric
@attribute MATS5p numeric
@attribute SpMax3_Bh.i. numeric
@attribute TPSA.NO. numeric
@attribute TPSA.Tot. numeric
@attribute ATSC4s numeric
@attribute GATS6v numeric
@attribute SdssC numeric
@attribute SpMax8_Bh.p. numeric
@attribute MATS1e numeric
@attribute MATS4i numeric
@attribute GATS8p numeric
@attribute MATS6i numeric
@attribute GATS6i numeric
@attribute GATS6p numeric
@attribute MATS6p numeric
@attribute MATS3p 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 pXC50 numeric

@data
{1 3,2 -0.062,3 3.851,4 91.65,5 100.03,6 99.794,7 0.943,8 -0.538,9 2.792,10 0.019,11 -0.154,12 0.942,13 0.117,14 0.846,15 0.749,16 0.093,17 -0.011,18 1.857,19 10.846,20 3.12,21 9.733,22 98.394,23 8.65,24 0.393,25 3.942,26 4.038,27 3.774,28 3.492,29 5.006,30 3.457,31 4.508,32 4.658,33 4.125,34 3.876,35 5.803,36 3.824,37 4.773,38 4.956,39 4.195,40 4.006,41 5.972,42 3.911,43 4.803,44 4.995,45 4.076,46 3.923,47 6.033,48 3.848,49 4.663,50 4.831,51 4.012,52 3.751,53 6.084,54 3.721,55 6.495}
{0 CHEMBL460141,1 3,2 -0.038,3 3.862,4 91.65,5 100.03,6 82.655,7 0.971,8 -0.454,9 2.735,10 0.045,11 -0.176,12 0.961,13 0.129,14 0.829,15 0.767,16 0.078,17 -0.015,18 1.699,19 10.692,20 2.942,21 8.653,22 98.631,23 7.704,24 0.393,25 3.991,26 4.097,27 3.734,28 3.519,29 5.023,30 3.478,31 4.561,32 4.728,33 4.065,34 3.898,35 5.802,36 3.841,37 4.811,38 5.001,39 4.146,40 4.042,41 5.947,42 3.946,43 4.895,44 5.091,45 4.085,46 3.999,47 6.089,48 3.927,49 4.823,50 5.003,51 3.983,52 3.879,53 6.176,54 3.84,55 4.301}
{0 CHEMBL461187,2 -0.078,3 3.859,4 91.4,5 99.78,6 86.181,7 0.939,8 -0.41,9 2.735,10 0.061,11 -0.123,12 0.968,13 0.269,14 0.716,15 0.713,16 0.135,17 -0.044,18 1.712,19 11.5,20 2.753,21 7.577,22 99.73,23 7.802,24 0.429,25 3.967,26 4.08,27 3.724,28 3.518,29 5.01,30 3.473,31 4.525,32 4.693,33 4.032,34 3.893,35 5.79,36 3.825,37 4.799,38 5.012,39 4.085,40 4.035,41 5.933,42 3.932,43 4.835,44 5.049,45 3.992,46 3.955,47 6.037,48 3.866,49 4.729,50 4.931,51 3.881,52 3.816,53 6.041,54 3.766,55 4.301}
{0 CHEMBL462478,1 3,2 -0.053,3 3.876,4 94.3,5 102.68,6 91.653,7 0.938,8 -0.421,9 2.735,10 0.04,11 -0.124,12 0.953,13 0.121,14 0.844,15 0.751,16 0.086,17 -0.097,18 1.717,19 10.76,20 2.445,21 5.979,22 95.835,23 7.713,24 0.407,25 3.951,26 4.069,27 3.7,28 3.484,29 4.975,30 3.439,31 4.514,32 4.684,33 4.014,34 3.873,35 5.766,36 3.803,37 4.782,38 4.996,39 4.036,40 4.003,41 5.873,42 3.887,43 4.851,44 5.077,45 3.959,46 3.909,47 6.032,48 3.824,49 4.675,50 4.878,51 3.857,52 3.77,53 5.982,54 3.711,55 4.301}
{0 CHEMBL462694,1 3,2 -0.065,3 3.877,4 96.33,5 104.71,6 86.702,7 0.93,8 -0.462,9 2.735,10 0.086,11 -0.066,12 0.909,13 0.037,14 0.943,15 0.749,16 0.063,17 -0.077,18 1.771,19 10.76,20 2.395,21 5.737,22 95.133,23 7.902,24 0.407,25 3.939,26 4.058,27 3.711,28 3.445,29 4.985,30 3.411,31 4.504,32 4.68,33 4.021,34 3.826,35 5.775,36 3.771,37 4.755,38 4.972,39 4.039,40 3.946,41 5.89,42 3.85,43 4.793,44 5.012,45 3.97,46 3.86,47 6.004,48 3.78,49 4.646,50 4.848,51 3.862,52 3.709,53 5.993,54 3.67,55 4.301}
{0 CHEMBL466198,1 3,2 -0.03,3 3.856,4 91.65,5 100.03,6 87.878,7 0.99,8 -0.45,9 2.899,10 0.057,11 -0.086,12 0.933,13 0.049,14 0.946,15 0.848,16 0.017,17 -0.042,18 1.625,19 11.938,20 4.075,21 16.602,22 122.707,23 7.688,24 0.486,25 4.172,26 4.277,27 3.896,28 3.744,29 5.211,30 3.7,31 4.732,32 4.887,33 4.223,34 4.132,35 5.943,36 4.069,37 5.014,38 5.209,39 4.274,40 4.278,41 6.1,42 4.173,43 5.086,44 5.295,45 4.246,46 4.248,47 6.214,48 4.167,49 5.027,50 5.217,51 4.248,52 4.209,53 6.289,54 4.152,55 5.602}
{0 CHEMBL467023,1 3,2 -0.032,3 3.856,4 91.65,5 100.03,6 86.261,7 0.944,8 -0.419,9 2.773,10 0.052,11 -0.173,12 0.969,13 0.061,14 0.891,15 0.796,16 0.057,17 -0.018,18 1.67,19 11.593,20 2.84,21 8.064,22 102.843,23 7.53,24 0.379,25 4.043,26 4.153,27 3.762,28 3.57,29 5.056,30 3.524,31 4.621,32 4.791,33 4.089,34 3.953,35 5.837,36 3.889,37 4.891,38 5.096,39 4.124,40 4.098,41 5.992,42 3.99,43 4.954,44 5.167,45 4.06,46 4.048,47 6.105,48 3.958,49 4.873,50 5.081,51 3.959,52 3.921,53 6.134,54 3.85,55 6.398}
{0 CHEMBL468071,1 4,2 -0.038,3 3.852,4 100.88,5 109.26,6 89.711,7 0.923,8 -0.494,9 2.787,10 0.018,11 -0.177,12 0.968,13 0.087,14 0.868,15 0.762,16 0.093,17 -0.025,18 1.735,19 12.222,20 2.439,21 5.949,22 100.053,23 7.87,24 0.379,25 4.021,26 4.121,27 3.773,28 3.517,29 5.082,30 3.492,31 4.588,32 4.747,33 4.094,34 3.884,35 5.85,36 3.846,37 4.815,38 4.997,39 4.127,40 4.02,41 5.986,42 3.94,43 4.875,44 5.073,45 4.036,46 3.971,47 6.068,48 3.899,49 4.781,50 4.976,51 3.932,52 3.834,53 6.081,54 3.778,55 6.886}
{0 CHEMBL468271,1 3,2 -0.035,3 3.856,4 91.65,5 100.03,6 91.361,7 0.981,8 -0.417,9 2.759,10 0.045,11 -0.12,12 0.968,13 0.044,14 0.926,15 0.817,16 0.03,17 -0.058,18 1.699,19 11.577,20 2.462,21 6.063,22 98.424,23 7.704,24 0.393,25 3.991,26 4.097,27 3.734,28 3.519,29 5.015,30 3.478,31 4.563,32 4.729,33 4.049,34 3.897,35 5.804,36 3.836,37 4.821,38 5.021,39 4.068,40 4.023,41 5.942,42 3.913,43 4.869,44 5.085,45 3.968,46 3.933,47 6.025,48 3.847,49 4.723,50 4.921,51 3.895,52 3.787,53 6.013,54 3.732,55 4.301}
{0 CHEMBL468281,1 3,2 0.112,3 3.758,4 100.88,5 109.26,6 96.961,7 1.093,8 -0.494,9 2.735,10 0.008,11 -0.247,12 0.878,13 -0.034,14 1.054,15 1.107,16 -0.097,17 -0.111,18 1.771,19 11.28,20 1.407,21 1.98,22 92.492,23 7.988,24 0.423,25 3.929,26 4.029,27 3.698,28 3.398,29 5.044,30 3.378,31 4.466,32 4.627,33 3.989,34 3.721,35 5.789,36 3.695,37 4.618,38 4.769,39 3.996,40 3.847,41 5.908,42 3.783,43 4.763,44 4.961,45 3.951,46 3.814,47 5.998,48 3.765,49 4.698,50 4.89,51 3.916,52 3.716,53 6.066,54 3.679,55 7.301}
{0 CHEMBL468282,1 3,2 -0.069,3 3.727,4 91.65,5 100.03,6 100.327,7 0.957,8 -0.482,9 2.618,10 0.018,11 -0.136,12 0.77,13 0.051,14 0.889,15 0.795,16 0.048,17 -0.26,18 1.81,19 9.5,20 1.538,21 2.366,22 81.448,23 8.293,24 0.478,25 3.771,26 3.87,27 3.593,28 3.276,29 4.91,30 3.251,31 4.288,32 4.445,33 3.905,34 3.605,35 5.682,36 3.579,37 4.451,38 4.582,39 3.863,40 3.704,41 5.836,42 3.649,43 4.594,44 4.797,45 3.72,46 3.606,47 5.89,48 3.571,49 4.358,50 4.528,51 3.642,52 3.474,53 5.736,54 3.439,55 7}
{0 CHEMBL468910,2 -0.006,3 3.851,4 82.86,5 91.24,6 104.388,7 0.937,8 -0.414,9 2.735,10 0.041,11 -0.125,12 1.074,13 0.07,14 0.896,15 0.765,16 0.086,17 -0.051,18 1.82,19 11.481,20 3.326,21 11.06,22 103.291,23 8.407,24 0.379,25 3.997,26 4.095,27 3.804,28 3.538,29 5.043,30 3.498,31 4.573,32 4.736,33 4.159,34 3.924,35 5.825,36 3.872,37 4.821,38 5,39 4.217,40 4.076,41 6.011,42 3.983,43 4.9,44 5.092,45 4.093,46 4.016,47 6.122,48 3.939,49 4.804,50 4.999,51 4.006,52 3.89,53 6.089,54 3.83,55 4.301}
{0 CHEMBL468911,2 0.005,3 3.844,4 79.62,5 88,6 96.807,7 0.958,8 -0.387,9 2.735,10 0.067,11 -0.073,12 1.05,13 0.245,14 0.725,15 0.775,16 0.097,17 -0.041,18 1.688,19 9.917,20 2.547,21 6.488,22 90.411,23 7.92,24 0.423,25 3.888,26 3.982,27 3.67,28 3.45,29 4.924,30 3.407,31 4.46,32 4.613,33 3.993,34 3.827,35 5.722,36 3.771,37 4.721,38 4.909,39 4.032,40 3.948,41 5.891,42 3.851,43 4.761,44 4.956,45 3.96,46 3.861,47 6.032,48 3.788,49 4.602,50 4.773,51 3.825,52 3.723,53 5.869,54 3.682,55 4.301}
{0 CHEMBL469114,1 3,2 0.144,3 3.856,4 94.89,5 103.27,6 91.08,7 1.001,8 -0.469,9 2.77,10 0.025,11 -0.257,12 0.947,13 0.045,14 0.97,15 1.032,16 -0.015,17 -0.07,18 1.76,19 11.346,20 1.496,21 2.237,22 97.498,23 7.885,24 0.393,25 3.982,26 4.092,27 3.744,28 3.474,29 5.038,30 3.447,31 4.547,32 4.721,33 4.069,34 3.843,35 5.811,36 3.808,37 4.773,38 4.953,39 4.089,40 4.002,41 5.948,42 3.913,43 4.886,44 5.102,45 4.003,46 3.947,47 6.043,48 3.862,49 4.774,50 4.993,51 3.933,52 3.771,53 6.07,54 3.72,55 6.301}
{0 CHEMBL505390,1 3,2 -0.019,3 3.851,4 91.65,5 100.03,6 97.982,7 0.943,8 -0.502,9 2.735,10 0.019,11 -0.156,12 0.927,13 0.117,14 0.846,15 0.749,16 0.093,17 -0.028,18 1.857,19 11.5,20 3.12,21 9.733,22 98.394,23 8.65,24 0.393,25 3.942,26 4.038,27 3.774,28 3.492,29 5.005,30 3.457,31 4.508,32 4.658,33 4.125,34 3.876,35 5.808,36 3.824,37 4.773,38 4.956,39 4.147,40 4.003,41 5.962,42 3.903,43 4.798,44 4.996,45 4.022,46 3.9,47 6.016,48 3.825,49 4.656,50 4.832,51 3.936,52 3.734,53 6.025,54 3.701,55 6.886}
{0 CHEMBL506964,2 -0.055,3 3.827,4 87.74,5 96.12,6 95.665,7 0.972,8 -0.386,9 2.735,10 0.039,11 -0.124,12 0.988,13 0.211,14 0.761,15 0.785,16 0.082,17 -0.108,18 1.724,19 11.5,20 2.338,21 5.468,22 98.956,23 7.989,24 0.429,25 3.955,26 4.056,27 3.73,28 3.496,29 5.022,30 3.462,31 4.508,32 4.66,33 4.026,34 3.871,35 5.802,36 3.815,37 4.74,38 4.917,39 4.077,40 4.029,41 5.879,42 3.935,43 4.831,44 5.029,45 4.004,46 3.967,47 6.055,48 3.884,49 4.75,50 4.948,51 3.886,52 3.835,53 6.087,54 3.782,55 4.301}
{0 CHEMBL512119,1 3,2 0.006,3 3.858,4 82.86,5 91.24,6 92.497,7 0.987,8 -0.373,9 2.77,10 0.061,11 -0.124,12 1.035,13 0.017,14 0.969,15 0.99,16 -0.009,17 -0.048,18 1.699,19 10.692,20 2.661,21 7.083,22 98.486,23 7.704,24 0.393,25 3.991,26 4.096,27 3.738,28 3.512,29 5.02,30 3.473,31 4.566,32 4.737,33 4.065,34 3.89,35 5.794,36 3.837,37 4.811,38 5.001,39 4.121,40 4.035,41 5.963,42 3.944,43 4.893,44 5.094,45 4.056,46 3.989,47 6.1,48 3.921,49 4.81,50 4.998,51 3.98,52 3.893,53 6.078,54 3.832,55 4.796}
{0 CHEMBL512951,2 -0.009,3 3.851,4 82.86,5 91.24,6 93.999,7 0.991,8 -0.373,9 2.735,10 0.061,11 -0.123,12 1.108,13 0.057,14 0.903,15 0.833,16 0.033,17 -0.048,18 1.699,19 10.769,20 2.661,21 7.083,22 98.486,23 7.704,24 0.393,25 3.991,26 4.096,27 3.738,28 3.512,29 5.02,30 3.473,31 4.566,32 4.737,33 4.065,34 3.89,35 5.793,36 3.837,37 4.811,38 5.001,39 4.121,40 4.035,41 5.967,42 3.944,43 4.893,44 5.094,45 4.036,46 3.988,47 6.098,48 3.914,49 4.801,50 5,51 3.943,52 3.879,53 6.078,54 3.816,55 4.301}
{0 CHEMBL513340,1 3,2 -0.055,3 3.889,4 100.44,5 108.82,6 46.536,7 0.867,8 -0.5,9 2.735,10 0.007,11 -0.209,12 1.038,13 0.196,14 0.776,15 0.777,16 0.122,17 0.018,18 1.768,19 11.423,20 2.857,21 8.161,22 97.712,23 8.638,24 0.607,25 3.88,26 3.97,27 3.718,28 3.457,29 5.046,30 3.434,31 4.364,32 4.479,33 4.005,34 3.782,35 5.804,36 3.756,37 4.588,38 4.748,39 3.995,40 3.841,41 5.897,42 3.782,43 4.573,44 4.755,45 3.958,46 3.767,47 5.861,48 3.716,49 4.525,50 4.687,51 3.932,52 3.683,53 5.995,54 3.661,55 6.398}
{0 CHEMBL513349,1 3,2 -0.022,3 3.851,4 91.65,5 100.03,6 87.075,7 0.948,8 -0.461,9 2.735,10 0.038,11 -0.154,12 0.952,13 0.112,14 0.846,15 0.765,16 0.086,17 -0.028,18 1.731,19 10.76,20 2.455,21 6.029,22 93.589,23 7.902,24 0.407,25 3.936,26 4.039,27 3.706,28 3.466,29 4.981,30 3.43,31 4.501,32 4.659,33 4.028,34 3.84,35 5.776,36 3.787,37 4.762,38 4.958,39 4.043,40 3.958,41 5.916,42 3.86,43 4.79,44 4.997,45 3.96,46 3.869,47 5.99,48 3.797,49 4.653,50 4.832,51 3.868,52 3.721,53 6.009,54 3.685,55 7}
{0 CHEMBL513697,1 3,2 0.038,3 3.808,4 100.88,5 109.26,6 92.885,7 0.951,8 -0.481,9 2.735,10 -0.001,11 -0.26,12 0.948,13 0.104,14 0.862,15 0.779,16 0.08,17 0.006,18 1.799,19 10.76,20 1.226,21 1.503,22 90.523,23 8.306,24 0.407,25 3.912,26 4.003,27 3.718,28 3.406,29 5.002,30 3.394,31 4.47,32 4.612,33 4.036,34 3.759,35 5.798,36 3.741,37 4.68,38 4.845,39 4.045,40 3.882,41 5.911,42 3.814,43 4.713,44 4.894,45 3.972,46 3.814,47 5.965,48 3.768,49 4.645,50 4.82,51 3.884,52 3.664,53 6.079,54 3.652,55 7.398}
{0 CHEMBL517905,1 3,2 0.099,3 3.836,4 91.65,5 100.03,6 91.535,7 1.025,8 -0.469,9 2.642,10 0.03,11 -0.176,12 0.875,13 -0.08,14 1.025,15 0.934,16 -0.031,17 -0.058,18 1.764,19 10.833,20 2.31,21 5.336,22 88.748,23 8.127,24 0.423,25 3.878,26 3.977,27 3.677,28 3.409,29 4.942,30 3.379,31 4.437,32 4.585,33 3.984,34 3.785,35 5.741,36 3.734,37 4.702,38 4.905,39 3.98,40 3.893,41 5.861,42 3.786,43 4.711,44 4.92,45 3.874,46 3.756,47 5.953,48 3.699,49 4.536,50 4.71,51 3.716,52 3.578,53 5.912,54 3.556,55 5.398}
{0 CHEMBL518672,1 3,2 0.095,3 3.886,4 83.44,5 91.82,6 82.083,7 1.04,8 -0.41,9 2.798,10 0.065,11 -0.293,12 0.881,13 0.014,14 0.98,15 0.878,16 -0.016,17 -0.033,18 1.687,19 10.731,20 2.651,21 7.029,22 100.732,23 7.531,24 0.393,25 4.005,26 4.125,27 3.732,28 3.529,29 5.015,30 3.482,31 4.578,32 4.761,33 4.052,34 3.921,35 5.794,36 3.852,37 4.83,38 5.039,39 4.132,40 4.093,41 5.887,42 3.978,43 4.941,44 5.15,45 4.073,46 4.051,47 6.122,48 3.952,49 4.884,50 5.112,51 3.941,52 3.905,53 6.133,54 3.839,55 4.301}