@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL5636

@attribute molecule_id {CHEMBL1094975,CHEMBL1095620,CHEMBL1097198,CHEMBL1951189,CHEMBL1951191,CHEMBL1951193,CHEMBL1951195,CHEMBL1951197,CHEMBL2046902,CHEMBL2046904,CHEMBL2046905,CHEMBL2046906,CHEMBL2046907,CHEMBL2046908,CHEMBL2046910,CHEMBL2046912,CHEMBL550374,CHEMBL550695,CHEMBL555899,CHEMBL555980,CHEMBL556122,CHEMBL562368}
@attribute ATS1m numeric
@attribute ATS2m numeric
@attribute ATS3m numeric
@attribute ATS4e numeric
@attribute ATS4m numeric
@attribute ATS4s numeric
@attribute ATS8s numeric
@attribute ATSC1p numeric
@attribute ATSC2p numeric
@attribute ATSC7p numeric
@attribute BBI numeric
@attribute DLS_01 numeric
@attribute DLS_03 numeric
@attribute DLS_06 numeric
@attribute DLS_cons numeric
@attribute Eig05_AEA.bo. numeric
@attribute Eig06_AEA.ri. numeric
@attribute Eig06_EA numeric
@attribute Eig07_AEA.bo. numeric
@attribute Eig07_AEA.ri. numeric
@attribute Eig07_EA numeric
@attribute Eig07_EA.bo. numeric
@attribute Eig09_AEA.bo. numeric
@attribute Eig09_AEA.ed. numeric
@attribute Eig09_EA numeric
@attribute Eig09_EA.ri. numeric
@attribute Eig10_EA numeric
@attribute Eta_alpha numeric
@attribute Eta_C numeric
@attribute GGI2 numeric
@attribute GGI9 numeric
@attribute GMTIV numeric
@attribute IAC numeric
@attribute IDDM numeric
@attribute MPC02 numeric
@attribute MW numeric
@attribute MWC02 numeric
@attribute MWC03 numeric
@attribute MWC04 numeric
@attribute MWC05 numeric
@attribute MWC06 numeric
@attribute ON0 numeric
@attribute piPC02 numeric
@attribute Pol numeric
@attribute Psi_e_1 numeric
@attribute Psi_i_s numeric
@attribute S1K numeric
@attribute SM02_AEA.bo. numeric
@attribute SM02_AEA.ed. numeric
@attribute SM02_EA numeric
@attribute SM02_EA.bo. numeric
@attribute SM02_EA.ed. numeric
@attribute SM02_EA.ri. numeric
@attribute SM03_AEA.bo. numeric
@attribute SM03_AEA.dm. numeric
@attribute SM03_AEA.ed. numeric
@attribute SM04_AEA.bo. numeric
@attribute SM04_AEA.dm. numeric
@attribute pXC50 numeric

@data
{1 3.922,2 4.237,3 4.246,4 4.999,5 4.258,6 6.241,7 6.279,8 4.756,9 7.859,10 9.848,11 51,12 0.5,13 0.67,14 0.5,15 0.57,16 3.696,17 3.14,18 2.216,19 3.151,20 2.849,21 1.898,22 2.277,23 2.806,24 4.716,25 1.577,26 1.422,27 1.366,28 14.167,29 28.835,30 3.556,31 0.369,32 42792,33 99.088,34 4.92,35 3.951,36 454.4,37 5.142,38 6.004,39 6.923,40 7.812,41 8.739,42 16.917,43 4.366,44 50,45 6.078,46 87.972,47 22.228,48 5.074,49 6.057,50 4.635,51 5.053,52 6.944,53 4.525,54 6.31,55 1.577,56 7.67,57 7.654,58 1.366,59 4.572}
{0 CHEMBL1095620,1 3.977,2 4.316,3 4.332,4 5.006,5 4.305,6 6.262,7 6.307,8 4.915,9 8.06,10 10.394,11 53,12 0.5,13 0.67,14 0.5,15 0.57,16 3.717,17 3.197,18 2.297,19 3.41,20 2.958,21 2.045,22 2.676,23 2.915,24 4.799,25 1.628,26 1.48,27 1.553,28 14.881,29 31.089,30 4,31 0.41,32 51907,33 104.888,34 4.965,35 3.989,36 488.84,37 5.176,38 6.038,39 6.957,40 7.847,41 8.772,42 17.75,43 4.404,44 52,45 6.266,46 91.75,47 23.469,48 5.104,49 6.098,50 4.673,51 5.091,52 6.984,53 4.543,54 6.349,55 1.628,56 7.713,57 7.698,58 1.553,59 4.303}
{0 CHEMBL1097198,1 3.765,2 4.08,3 4.083,4 4.797,5 4.081,6 6.127,7 5.888,8 3.301,9 5.748,10 6.415,11 42,12 0.5,13 0.67,14 0.5,15 0.58,16 3.601,17 2.848,18 1.898,19 2.919,20 2.58,21 1.652,22 1.979,23 2.237,24 4.185,25 0.977,26 0.876,27 0.704,28 11.167,29 23.037,30 3.556,31 0.24,32 26092,33 83.327,34 4.613,35 3.761,36 378.3,37 4.934,38 5.802,39 6.735,40 7.629,41 8.564,42 14.583,43 4.115,44 41,45 5.043,46 76.806,47 18.592,48 4.846,49 5.889,50 4.443,51 4.8,52 6.806,53 4.311,54 6.105,55 0.977,56 7.529,57 7.471,58 0.704,59 4.409}
{0 CHEMBL1951189,1 4.713,2 5.05,3 5.168,4 5.623,5 5.19,6 7.421,7 7.222,8 9.094,9 17.675,10 21.746,11 97,12 0.25,13 0.33,14 0.17,15 0.27,16 4.293,17 3.983,18 3.031,19 4.13,20 3.951,21 2.978,22 3.351,23 3.729,24 5.967,25 2.428,26 2.272,27 2.426,28 25.5,29 66.334,30 8.222,31 0.83,32 303485,33 181.259,34 5.783,35 4.585,36 883.5,37 5.759,38 6.629,39 7.576,40 8.461,41 9.408,42 32.333,43 4.973,44 97,45 6.536,46 178.222,47 43.386,48 5.679,49 6.739,50 5.273,51 5.663,52 7.683,53 5.155,54 6.964,55 2.428,56 8.396,57 8.355,58 2.426,59 4.699}
{0 CHEMBL1951191,1 4.572,2 4.925,3 5.041,4 5.564,5 5.049,6 7.23,7 7,8 7.275,9 15.57,10 19.598,11 90,12 0.25,13 0.33,14 0.17,15 0.27,16 4.167,17 3.966,18 3.018,19 4.088,20 3.764,21 2.771,22 3.23,23 3.673,24 5.901,25 2.426,26 2.21,27 2.251,28 23.567,29 60.154,30 7.778,31 0.79,32 233860,33 171.014,34 5.677,35 4.511,36 802.54,37 5.687,38 6.564,39 7.506,40 8.398,41 9.34,42 29.583,43 4.902,44 91,45 6.536,46 159.917,47 39.346,48 5.605,49 6.661,50 5.198,51 5.591,52 7.597,53 5.071,54 6.879,55 2.426,56 8.313,57 8.261,58 2.251,59 5.148}
{0 CHEMBL1951193,1 4.572,2 4.925,3 5.041,4 5.564,5 5.049,6 7.23,7 7,8 7.275,9 15.57,10 19.598,11 90,12 0.25,13 0.33,14 0.17,15 0.27,16 4.167,17 3.966,18 3.018,19 4.088,20 3.764,21 2.771,22 3.23,23 3.673,24 5.901,25 2.426,26 2.21,27 2.251,28 23.567,29 60.154,30 7.778,31 0.79,32 233860,33 171.014,34 5.677,35 4.511,36 802.54,37 5.687,38 6.564,39 7.506,40 8.398,41 9.34,42 29.583,43 4.902,44 91,45 6.536,46 159.917,47 39.346,48 5.605,49 6.661,50 5.198,51 5.591,52 7.597,53 5.071,54 6.879,55 2.426,56 8.313,57 8.261,58 2.251,59 5.414}
{0 CHEMBL1951195,1 4.706,2 5.045,3 5.168,4 5.632,5 5.187,6 7.411,7 7.226,8 8.589,9 18.23,10 21.872,11 97,12 0.25,13 0.33,14 0.17,15 0.27,16 4.293,17 3.983,18 3.031,19 4.13,20 3.951,21 2.978,22 3.351,23 3.729,24 5.967,25 2.428,26 2.272,27 2.426,28 25.567,29 66.588,30 8.222,31 0.83,32 299875,33 183.699,34 5.783,35 4.585,36 882.52,37 5.759,38 6.629,39 7.576,40 8.461,41 9.408,42 32.333,43 4.973,44 97,45 6.536,46 177.222,47 43.386,48 5.679,49 6.739,50 5.273,51 5.663,52 7.683,53 5.155,54 6.964,55 2.428,56 8.396,57 8.355,58 2.426,59 4.796}
{0 CHEMBL1951197,1 4.706,2 5.045,3 5.168,4 5.632,5 5.187,6 7.411,7 7.226,8 8.589,9 18.23,10 21.872,11 97,12 0.25,13 0.33,14 0.17,15 0.27,16 4.293,17 3.983,18 3.031,19 4.13,20 3.951,21 2.978,22 3.351,23 3.729,24 5.967,25 2.428,26 2.272,27 2.426,28 25.567,29 66.589,30 8.222,31 0.83,32 299875,33 183.699,34 5.783,35 4.585,36 882.52,37 5.759,38 6.629,39 7.576,40 8.461,41 9.408,42 32.333,43 4.973,44 97,45 6.536,46 177.222,47 43.386,48 5.679,49 6.739,50 5.273,51 5.663,52 7.683,53 5.155,54 6.964,55 2.428,56 8.396,57 8.355,58 2.426,59 5.514}
{0 CHEMBL2046902,1 3.999,2 4.334,3 4.348,4 5.053,5 4.313,6 6.283,7 6.344,8 5.207,9 8.639,10 11.186,11 54,12 0.25,13 0.5,14 0.33,15 0.47,16 3.721,17 3.213,18 2.307,19 3.421,20 2.993,21 2.088,22 2.701,23 2.951,24 4.805,25 1.726,26 1.587,27 1.575,28 15.381,29 33.046,30 4.222,31 0.528,32 56282,33 109.199,34 5.008,35 4.007,36 502.87,37 5.198,38 6.057,39 6.971,40 7.856,41 8.776,42 18.25,43 4.416,44 53,45 6.402,46 93.25,47 24.437,48 5.122,49 6.111,50 4.691,51 5.103,52 6.989,53 4.564,54 6.362,55 1.726,56 7.722,57 7.707,58 1.575,59 4.676}
{0 CHEMBL2046904,1 3.976,2 4.285,3 4.291,4 5.028,5 4.291,6 6.276,7 6.337,8 5.049,9 8.286,10 10.43,11 53,12 0.5,13 0.67,14 0.5,15 0.57,16 3.72,17 3.212,18 2.303,19 3.175,20 2.852,21 1.899,22 2.273,23 2.917,24 4.773,25 1.583,26 1.452,27 1.516,28 15,29 31.235,30 3.778,31 0.393,32 53310,33 105.972,34 5.007,35 3.989,36 484.43,37 5.187,38 6.043,39 6.952,40 7.834,41 8.752,42 17.917,43 4.391,44 52,45 6.374,46 92.972,47 24.122,48 5.11,49 6.084,50 4.673,51 5.078,52 6.957,53 4.548,54 6.335,55 1.583,56 7.688,57 7.672,58 1.516,59 4.316}
{0 CHEMBL2046905,1 4.029,2 4.361,3 4.373,4 5.034,5 4.336,6 6.295,7 6.357,8 5.222,9 8.544,10 11.083,11 55,12 0.25,13 0.5,14 0.33,15 0.47,16 3.721,17 3.218,18 2.311,19 3.425,20 2.974,21 2.107,22 2.707,23 2.961,24 4.81,25 1.776,26 1.633,27 1.579,28 15.714,29 33.442,30 4.222,31 0.418,32 64433,33 111.907,34 5.05,35 4.025,36 518.87,37 5.22,38 6.075,39 6.986,40 7.867,41 8.784,42 18.75,43 4.428,44 54,45 6.556,46 96.75,47 25.368,48 5.14,49 6.125,50 4.71,51 5.115,52 6.997,53 4.565,54 6.374,55 1.776,56 7.731,57 7.715,58 1.579,59 5.721}
{0 CHEMBL2046906,1 4.092,2 4.451,3 4.469,4 5.032,5 4.391,6 6.286,7 6.347,8 5.414,9 8.885,10 11.743,11 55,12 0.25,13 0.5,14 0.33,15 0.47,16 3.721,17 3.218,18 2.311,19 3.425,20 2.961,21 2.107,22 2.707,23 2.961,24 4.81,25 1.776,26 1.615,27 1.579,28 16.333,29 35.063,30 4.222,31 0.418,32 64433,33 111.907,34 5.05,35 4.025,36 563.32,37 5.22,38 6.075,39 6.986,40 7.867,41 8.784,42 18.75,43 4.428,44 54,45 6.536,46 95.389,47 25.557,48 5.14,49 6.125,50 4.71,51 5.115,52 6.997,53 4.56,54 6.374,55 1.776,56 7.731,57 7.715,58 1.579,59 6.155}
{0 CHEMBL2046907,1 4.004,2 4.325,3 4.335,4 5.037,5 4.314,6 6.321,7 6.383,8 5.066,9 8.327,10 10.458,11 55,12 0.25,13 0.5,14 0.33,15 0.47,16 3.721,17 3.22,18 2.311,19 3.425,20 3.015,21 2.107,22 2.707,23 2.961,24 4.81,25 1.776,26 1.648,27 1.579,28 15.286,29 32.587,30 4.222,31 0.418,32 64433,33 111.907,34 5.05,35 4.025,36 502.42,37 5.22,38 6.075,39 6.986,40 7.867,41 8.784,42 18.75,43 4.428,44 54,45 6.638,46 100.639,47 25.028,48 5.14,49 6.125,50 4.71,51 5.115,52 6.997,53 4.577,54 6.374,55 1.776,56 7.731,57 7.715,58 1.579,59 4.658}
{0 CHEMBL2046908,1 4.015,2 4.325,3 4.349,4 5.058,5 4.339,6 6.349,7 6.382,8 5.133,9 8.382,10 10.767,11 56,12 0.25,13 0.5,14 0.33,15 0.47,16 3.724,17 3.23,18 2.317,19 3.61,20 3.131,21 2.186,22 2.802,23 2.982,24 4.811,25 1.779,26 1.653,27 1.579,28 15.9,29 32.696,30 4.222,31 0.418,32 67932,33 109.618,34 5.091,35 4.043,36 509.44,37 5.242,38 6.098,39 7.006,40 7.888,41 8.803,42 19.25,43 4.463,44 56,45 6.711,46 101.139,47 25.57,48 5.203,49 6.142,50 4.727,51 5.15,52 7.013,53 4.607,54 6.438,55 1.779,56 7.747,57 7.777,58 1.579,59 5.824}
{0 CHEMBL2046910,1 4.055,2 4.398,3 4.464,4 5.044,5 4.382,6 6.374,7 6.397,8 5.239,9 8.585,10 11.093,11 57,12 0.25,13 0.5,14 0.33,15 0.47,16 3.722,17 3.228,18 2.325,19 3.518,20 3.096,21 2.206,22 2.801,23 2.961,24 4.811,25 1.777,26 1.647,27 1.579,28 16,29 35.042,30 4.667,31 0.503,32 74820,33 117.776,34 5.094,35 4.06,36 536.86,37 5.252,38 6.111,39 7.024,40 7.908,41 8.825,42 19.583,43 4.463,44 57,45 6.859,46 104.417,47 26.276,48 5.169,49 6.168,50 4.745,51 5.15,52 7.047,53 4.593,54 6.41,55 1.777,56 7.781,57 7.759,58 1.579,59 5.577}
{0 CHEMBL2046912,1 4.061,2 4.422,3 4.424,4 5.055,5 4.419,6 6.324,7 6.376,8 5.291,9 8.654,10 10.941,11 60,12 0.25,13 0.5,14 0.33,15 0.34,16 3.762,17 3.332,18 2.4,19 3.593,20 3.114,21 2.21,22 2.803,23 3.076,24 4.913,25 1.895,26 1.704,27 1.605,28 16.214,29 34.497,30 4.222,31 0.539,32 67807,33 110.687,34 5.096,35 4.111,36 528.86,37 5.293,38 6.168,39 7.096,40 7.993,41 8.925,42 18.917,43 4.58,44 58,45 6.882,46 98.583,47 24.696,48 5.235,49 6.229,50 4.796,51 5.268,52 7.124,53 4.682,54 6.493,55 1.895,56 7.847,57 7.851,58 1.605,59 5.367}
{0 CHEMBL550374,1 4.31,2 4.599,3 4.661,4 5.046,5 4.685,6 6.882,7 6.341,8 7.62,9 11.708,10 12.973,11 56,12 0.25,13 0.5,14 0.33,15 0.44,16 4.071,17 3.34,18 2.427,19 3.598,20 3.158,21 2.251,22 2.9,23 2.979,24 4.802,25 1.652,26 1.482,27 1.56,28 15.667,29 34.172,30 4.444,31 0.435,32 68704,33 113.188,34 5.018,35 4.043,36 554.33,37 5.209,38 6.057,39 7.008,40 7.874,41 8.825,42 20.083,43 4.457,44 53,45 6.536,46 108.139,47 27.1,48 5.133,49 6.192,50 4.727,51 5.145,52 7.138,53 4.615,54 6.441,55 1.652,56 7.853,57 7.846,58 1.56,59 6.252}
{0 CHEMBL550695,1 4.261,2 4.544,3 4.615,4 5.057,5 4.619,6 6.937,7 6.363,8 5.921,9 11.022,10 10.975,11 56,12 0.25,13 0.5,14 0.33,15 0.44,16 4.071,17 3.34,18 2.427,19 3.598,20 3.158,21 2.251,22 2.9,23 2.979,24 4.802,25 1.652,26 1.482,27 1.56,28 15.167,29 32.803,30 4.444,31 0.435,32 68704,33 107.991,34 5.018,35 4.043,36 538.26,37 5.209,38 6.057,39 7.008,40 7.874,41 8.825,42 20.083,43 4.457,44 53,45 6.536,46 110.917,47 26.717,48 5.133,49 6.192,50 4.727,51 5.145,52 7.138,53 4.615,54 6.441,55 1.652,56 7.853,57 7.846,58 1.56,59 5.347}
{0 CHEMBL555899,1 4.58,2 4.931,3 5.04,4 5.554,5 5.052,6 7.241,7 6.998,8 7.777,9 15.022,10 19.42,11 90,12 0.25,13 0.33,14 0.17,15 0.27,16 4.167,17 3.966,18 3.018,19 4.088,20 3.764,21 2.771,22 3.23,23 3.673,24 5.901,25 2.426,26 2.21,27 2.251,28 23.5,29 59.905,30 7.778,31 0.79,32 236908,33 168.841,34 5.677,35 4.511,36 803.52,37 5.687,38 6.564,39 7.506,40 8.398,41 9.34,42 29.583,43 4.902,44 91,45 6.536,46 160.917,47 39.346,48 5.605,49 6.661,50 5.198,51 5.591,52 7.597,53 5.071,54 6.879,55 2.426,56 8.313,57 8.261,58 2.251,59 4.699}
{0 CHEMBL555980,1 4.616,2 4.969,3 5.071,4 5.548,5 5.096,6 7.201,7 6.977,8 9.396,9 15.61,10 21.46,11 90,12 0.25,13 0.33,14 0.17,15 0.27,16 4.167,17 3.966,18 3.018,19 4.088,20 3.764,21 2.771,22 3.23,23 3.673,24 5.901,25 2.426,26 2.21,27 2.251,28 24,29 61.588,30 7.778,31 0.79,32 236908,33 174.413,34 5.677,35 4.511,36 819.59,37 5.687,38 6.564,39 7.506,40 8.398,41 9.34,42 29.583,43 4.902,44 91,45 6.536,46 158.139,47 39.724,48 5.605,49 6.661,50 5.198,51 5.591,52 7.597,53 5.071,54 6.879,55 2.426,56 8.313,57 8.261,58 2.251,59 5.921}
{0 CHEMBL556122,1 4.616,2 4.969,3 5.071,4 5.548,5 5.096,6 7.201,7 6.977,8 9.396,9 15.61,10 21.46,11 90,12 0.25,13 0.33,14 0.17,15 0.27,16 4.167,17 3.966,18 3.018,19 4.088,20 3.764,21 2.771,22 3.23,23 3.673,24 5.901,25 2.426,26 2.21,27 2.251,28 24,29 61.588,30 7.778,31 0.79,32 236908,33 174.413,34 5.677,35 4.511,36 819.59,37 5.687,38 6.564,39 7.506,40 8.398,41 9.34,42 29.583,43 4.902,44 91,45 6.536,46 158.139,47 39.724,48 5.605,49 6.661,50 5.198,51 5.591,52 7.597,53 5.071,54 6.879,55 2.426,56 8.313,57 8.261,58 2.251,59 5.549}
{0 CHEMBL562368,1 4.31,2 4.599,3 4.661,4 5.046,5 4.685,6 6.882,7 6.341,8 7.62,9 11.708,10 12.973,11 56,12 0.25,13 0.5,14 0.33,15 0.44,16 4.071,17 3.34,18 2.427,19 3.598,20 3.158,21 2.251,22 2.9,23 2.979,24 4.802,25 1.652,26 1.482,27 1.56,28 15.667,29 34.172,30 4.444,31 0.435,32 68704,33 113.188,34 5.018,35 4.043,36 554.33,37 5.209,38 6.057,39 7.008,40 7.874,41 8.825,42 20.083,43 4.457,44 53,45 6.536,46 108.139,47 27.1,48 5.133,49 6.192,50 4.727,51 5.145,52 7.138,53 4.615,54 6.441,55 1.652,56 7.853,57 7.846,58 1.56,59 5.864}