@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL1929

@attribute molecule_id {CHEMBL1085430,CHEMBL1164729,CHEMBL117,CHEMBL1276946,CHEMBL1277122,CHEMBL13486,CHEMBL1467,CHEMBL150,CHEMBL151,CHEMBL161957,CHEMBL164,CHEMBL164921,CHEMBL17291,CHEMBL1761208,CHEMBL1761209,CHEMBL1761210,CHEMBL1761212,CHEMBL1761213,CHEMBL1761214,CHEMBL1761215,CHEMBL1761216,CHEMBL1761217,CHEMBL1761218,CHEMBL1761219,CHEMBL1927147,CHEMBL2205493,CHEMBL2205494,CHEMBL2205495,CHEMBL2205496,CHEMBL2205497,CHEMBL2205498,CHEMBL2205499,CHEMBL2205500,CHEMBL2205501,CHEMBL2205502,CHEMBL2205503,CHEMBL2205504,CHEMBL2205505,CHEMBL2205506,CHEMBL2205507,CHEMBL2205508,CHEMBL2205509,CHEMBL226335,CHEMBL226345,CHEMBL232615,CHEMBL242529,CHEMBL242739,CHEMBL244743,CHEMBL250450,CHEMBL266564,CHEMBL275563,CHEMBL276915,CHEMBL28,CHEMBL28626,CHEMBL294009,CHEMBL305113,CHEMBL309490,CHEMBL311498,CHEMBL311805,CHEMBL312213,CHEMBL314120,CHEMBL314168,CHEMBL314647,CHEMBL315417,CHEMBL315561,CHEMBL315625,CHEMBL315735,CHEMBL31574,CHEMBL315969,CHEMBL316254,CHEMBL325372,CHEMBL337309,CHEMBL379064,CHEMBL388593,CHEMBL443354,CHEMBL446449,CHEMBL447311,CHEMBL447820,CHEMBL448272,CHEMBL451090,CHEMBL451678,CHEMBL452145,CHEMBL452979,CHEMBL454228,CHEMBL455678,CHEMBL459842,CHEMBL459843,CHEMBL460379,CHEMBL460460,CHEMBL460873,CHEMBL467247,CHEMBL468318,CHEMBL469613,CHEMBL470950,CHEMBL47386,CHEMBL478458,CHEMBL486027,CHEMBL487810,CHEMBL50,CHEMBL500751,CHEMBL501550,CHEMBL501787,CHEMBL503182,CHEMBL503232,CHEMBL503708,CHEMBL504233,CHEMBL504279,CHEMBL505322,CHEMBL508463,CHEMBL508899,CHEMBL511791,CHEMBL512212,CHEMBL513450,CHEMBL516849,CHEMBL517637,CHEMBL518487,CHEMBL538608,CHEMBL583912,CHEMBL64616,CHEMBL65675,CHEMBL727,CHEMBL73930,CHEMBL73933,CHEMBL75589,CHEMBL76447,CHEMBL82242,CHEMBL82268,CHEMBL8260,CHEMBL82703,CHEMBL82755,CHEMBL82756,CHEMBL82848,CHEMBL82957,CHEMBL83072,CHEMBL83516,CHEMBL83530,CHEMBL84310,CHEMBL84609,CHEMBL84620,CHEMBL84643,CHEMBL84772,CHEMBL85062,CHEMBL85314,CHEMBL85381,CHEMBL85737,CHEMBL86021,CHEMBL86056,CHEMBL86132,CHEMBL86311,CHEMBL87562,CHEMBL92193,CHEMBL9352}
@attribute NssCH2 numeric
@attribute SpMin1_Bh.i. numeric
@attribute Eig15_AEA.dm. numeric
@attribute Eig14_EA.ed. numeric
@attribute SM09_AEA.ri. numeric
@attribute Eig14_EA numeric
@attribute Eig14_EA.bo. numeric
@attribute Eig14_EA.ri. numeric
@attribute SM08_AEA.dm. numeric
@attribute Eig15_EA.ed. numeric
@attribute SM10_AEA.ri. numeric
@attribute Eig15_EA numeric
@attribute Eig15_EA.bo. numeric
@attribute Eig15_EA.ri. numeric
@attribute SM09_AEA.dm. numeric
@attribute SssCH2 numeric
@attribute SpMin1_Bh.e. numeric
@attribute Eig14_AEA.dm. numeric
@attribute Hy numeric
@attribute Inflammat.50 numeric
@attribute Eig13_EA numeric
@attribute Eig13_EA.bo. numeric
@attribute Eig13_EA.ed. numeric
@attribute Eig13_EA.ri. numeric
@attribute SM07_AEA.dm. numeric
@attribute SM08_AEA.ri. numeric
@attribute SpMax1_Bh.p. numeric
@attribute Eig13_AEA.dm. numeric
@attribute SpMin7_Bh.i. numeric
@attribute SpMax1_Bh.v. numeric
@attribute ATS5e numeric
@attribute nR10 numeric
@attribute LOC numeric
@attribute SpMax8_Bh.i. numeric
@attribute Chi1_EA.dm. numeric
@attribute ATS3e numeric
@attribute Eig12_EA.bo. numeric
@attribute Eig12_EA.ed. numeric
@attribute SM07_AEA.ri. numeric
@attribute Chi0_EA.dm. numeric
@attribute TPC numeric
@attribute Wap numeric
@attribute CATS2D_08_LL numeric
@attribute ATS4e numeric
@attribute Eig09_AEA.ed. numeric
@attribute Eig12_EA numeric
@attribute Eig12_EA.ri. numeric
@attribute SM06_AEA.dm. numeric
@attribute ATSC1p numeric
@attribute ATSC5v numeric
@attribute CIC0 numeric
@attribute ATS1e numeric
@attribute ATS1i numeric
@attribute ATS2e numeric
@attribute nBT numeric
@attribute Se numeric
@attribute TIC5 numeric
@attribute ATS5i numeric
@attribute ECC numeric
@attribute N.068 numeric
@attribute nRNR2 numeric
@attribute Chi0_EA.bo. numeric
@attribute IDMT numeric
@attribute SpMax7_Bh.e. numeric
@attribute ATSC6p numeric
@attribute pXC50 numeric

@data
{2 1.971,3 0.492,4 -0.054,5 -0.054,6 -0.027,7 -0.034,8 -0.025,9 -0.027,10 -0.361,11 -0.361,12 -0.204,13 -0.235,14 -0.178,15 -0.204,17 1.973,18 0.797,19 0.96,21 0.318,22 0.4,23 0.695,24 0.293,25 0.318,26 0.695,27 3.963,28 0.931,29 0.884,30 3.977,31 4.764,32 2,33 0.929,34 2.936,35 21.24,36 4.598,37 0.716,38 1.317,39 1.317,40 20.362,41 8.02,42 32209,43 1,44 4.742,45 4.417,46 0.593,47 0.538,48 0.593,49 4.101,50 7.618,51 3.913,52 3.939,53 3.978,54 4.4,55 46,56 45.131,57 223.82,58 4.869,59 296,62 17.103,63 18211.8,64 2.991,65 7.658,66 5.113}
{0 CHEMBL1164729,1 1,2 1.901,3 -0.93,4 -2,5 -2,6 -1,7 -1.191,8 -0.951,9 -1,10 -2.207,11 -2.207,12 -1,13 -1.303,14 -1,15 -1,16 0.535,17 1.915,18 -0.423,19 -0.265,20 1,21 -0.82,22 -1,23 -2,24 -0.801,25 -0.82,26 -2,27 3.98,28 -0.281,29 0.804,30 3.948,31 4.231,33 1.511,34 2.957,35 10.815,36 4.399,37 -0.761,38 -1.568,39 -1.568,40 12.114,41 6.479,42 4398,43 1,44 4.509,45 3.122,46 -0.644,47 -0.581,48 -0.644,49 3.769,50 7.008,51 3.546,52 3.721,53 3.809,54 4.215,55 39,56 38.447,57 175.157,58 4.388,59 204,62 12.757,63 8596.95,64 2.883,65 6.238,66 7.523}
{0 CHEMBL117,2 1.954,3 -1,4 -2.41,5 -2.41,6 -1,7 -1.5,8 -1,9 -1,10 -3.557,11 -3.557,12 -1.309,13 -1.818,14 -1.318,15 -1.309,17 1.962,18 -0.944,19 0.341,21 -0.939,22 -1.147,23 -2.347,24 -0.861,25 -0.939,26 -2.347,27 3.938,28 -0.674,29 0.567,30 3.947,31 4.058,32 1,33 0.644,34 2.479,35 16.458,36 4.22,37 -0.816,38 -1.425,39 -1.425,40 12.074,41 6.661,42 5761,43 2,44 4.205,45 2.914,46 -0.618,47 -0.603,48 -0.618,49 2.638,50 4.175,51 3.442,52 3.517,53 3.573,54 3.936,55 31,56 29.727,57 132.881,58 4.195,59 137,62 10.907,63 4829.65,64 2.727,65 3.996,66 6.076}
{0 CHEMBL1276946,1 1,2 1.86,3 0.2,4 -0.514,5 -0.514,6 -0.204,7 -0.273,8 -0.193,9 -0.204,10 -1.024,11 -1.024,12 -0.426,13 -0.527,14 -0.4,15 -0.426,16 0.304,17 1.886,18 0.371,19 -0.294,21 -0.119,22 -0.148,23 -0.283,24 -0.093,25 -0.119,26 -0.283,27 3.909,28 0.589,29 0.824,30 3.923,31 4.693,33 0.596,34 2.863,35 30.973,36 4.583,37 0.607,38 1.34,39 1.34,40 22.46,41 7.563,42 18449,43 1,44 4.657,45 3.686,46 0.512,47 0.497,48 0.512,49 3.246,50 9.129,51 3.642,52 3.846,53 3.952,54 4.347,55 44,56 41.687,57 212.905,58 4.884,59 256,62 15.342,63 13204,64 2.88,65 6.834,66 4.523}
{0 CHEMBL1277122,1 1,2 1.862,3 -0.063,4 -0.945,5 -0.945,6 -0.371,7 -0.45,8 -0.359,9 -0.371,10 -1.227,11 -1.227,12 -0.52,13 -0.673,14 -0.516,15 -0.52,16 0.379,17 1.893,18 0.241,19 -0.317,21 -0.169,22 -0.24,23 -0.435,24 -0.177,25 -0.169,26 -0.435,27 3.905,28 0.588,29 0.821,30 3.921,31 4.664,33 0.553,34 2.851,35 33.142,36 4.565,37 0.588,38 1.315,39 1.315,40 22.527,41 7.46,42 16236,43 3,44 4.669,45 3.537,46 0.499,47 0.489,48 0.499,49 3.363,50 9.461,51 3.773,52 3.839,53 3.953,54 4.338,55 44,56 41.363,57 204.905,58 4.865,59 244,62 14.895,63 11790.8,64 2.854,65 7.019,66 4.523}
{0 CHEMBL13486,2 1.962,3 -1.074,4 -3.07,5 -3.07,6 -1.163,7 -1.533,8 -1.108,9 -1.163,10 -3.31,11 -3.31,12 -1.284,13 -1.621,14 -1.199,15 -1.284,17 1.969,18 -0.781,19 1.103,21 -0.781,22 -0.983,23 -2.107,24 -0.727,25 -0.781,26 -2.107,27 3.948,28 -0.421,29 0.552,30 3.957,31 4.118,32 1,33 0.68,34 2.619,35 11.593,36 4.262,37 -0.789,38 -1.674,39 -1.674,40 11.758,41 6.779,42 6767,44 4.294,45 2.991,46 -0.623,47 -0.577,48 -0.623,49 2.767,50 5.132,51 3.448,52 3.564,53 3.613,54 3.969,55 32,56 31.055,57 147.207,58 4.279,59 166,62 11.368,63 5821.75,64 2.643,65 3.77,66 4.775}
{0 CHEMBL1467,2 1.755,17 1.788,19 0.935,27 3.868,30 3.903,31 2.506,33 0.664,34 1.202,35 1.163,36 3.231,40 2.157,41 5.069,42 692,44 3.126,45 1.239,49 0.761,50 0.967,51 1.972,52 2.883,53 2.998,54 3.247,55 15,56 14.735,57 53.303,58 2.836,59 37,62 5.636,63 561.937,64 1.016,65 0.176,66 5.378}
{0 CHEMBL150,2 1.952,3 -0.854,4 -3,5 -3,6 -1,7 -1.411,8 -1,9 -1,10 -3.054,11 -3.054,12 -1.19,13 -1.5,14 -1.086,15 -1.19,17 1.955,18 -0.682,19 1.921,21 -0.68,22 -0.768,23 -1.65,24 -0.584,25 -0.68,26 -1.65,27 3.936,28 -0.149,29 0.603,30 3.949,31 4.212,32 1,33 0.702,34 2.573,35 16.607,36 4.319,37 -0.544,38 -1.108,39 -1.108,40 13.823,41 6.869,42 7347,43 2,44 4.353,45 3.331,46 -0.433,47 -0.395,48 -0.433,49 2.882,50 4.182,51 3.462,52 3.609,53 3.652,54 4.001,55 33,56 32.382,57 145.58,58 4.322,59 165,62 11.79,63 6541.99,64 2.781,65 4.546,66 5.975}
{0 CHEMBL151,2 1.952,3 -0.814,4 -2.251,5 -2.251,6 -0.845,7 -1.001,8 -0.769,9 -0.845,10 -3.22,11 -3.22,12 -1.183,13 -1.451,14 -1.11,15 -1.183,17 1.956,18 -0.422,19 1.921,21 -0.608,22 -0.781,23 -1.582,24 -0.571,25 -0.608,26 -1.582,27 3.936,28 -0.226,29 0.578,30 3.949,31 4.188,32 1,33 0.702,34 2.541,35 18.103,36 4.317,37 -0.649,38 -1.279,39 -1.279,40 14.993,41 6.887,42 7625,43 1,44 4.348,45 3.019,46 -0.522,47 -0.477,48 -0.522,49 2.882,50 4.893,51 3.462,52 3.609,53 3.652,54 4.001,55 33,56 32.382,57 153.58,58 4.328,59 167,62 11.777,63 6713.87,64 2.731,65 4.253,66 4.938}
{0 CHEMBL161957,2 1.954,3 -0.029,4 -0.585,5 -0.585,6 -0.319,7 -0.383,8 -0.284,9 -0.319,10 -0.905,11 -0.905,12 -0.449,13 -0.529,14 -0.406,15 -0.449,17 1.956,18 0.365,19 0.312,21 -0.114,22 -0.137,23 -0.201,24 -0.101,25 -0.114,26 -0.201,27 3.94,28 0.41,29 0.876,30 3.956,31 4.713,32 1,33 1.047,34 2.925,35 24.222,36 4.473,37 -0.05,38 -0.097,39 -0.097,40 19.662,41 7.23,42 11313,44 4.622,45 3.609,46 -0.042,47 -0.039,48 -0.042,49 4.023,50 8.819,51 3.871,52 3.856,53 3.915,54 4.328,55 43,56 42.36,57 197.395,58 4.848,59 241,62 15.03,63 11385.5,64 2.991,65 8.05,66 4.438}
{0 CHEMBL164,2 1.95,3 -0.586,4 -1.509,5 -1.509,6 -0.627,7 -0.7,8 -0.54,9 -0.627,10 -2.667,11 -2.667,12 -1.047,13 -1.223,14 -0.94,15 -1.047,17 1.95,18 -0.082,19 3.666,21 -0.357,22 -0.448,23 -0.976,24 -0.328,25 -0.357,26 -0.976,27 3.935,28 -0.047,29 0.604,30 3.951,31 4.357,32 1,33 0.719,34 2.574,35 17.67,36 4.408,37 -0.445,38 -0.898,39 -0.898,40 15.348,41 7.07,42 9363,44 4.487,45 3.441,46 -0.347,47 -0.32,48 -0.347,49 3.075,50 4.445,51 3.51,52 3.694,53 3.725,54 4.062,55 35,56 35.036,57 156.465,58 4.454,59 183,62 12.685,63 8582.83,64 2.782,65 4.991,66 5.623}
{0 CHEMBL164921,2 1.908,17 1.934,19 -0.002,21 -2,22 -3,23 -6.31,24 -2,25 -2,26 -6.31,27 3.976,28 -2,30 3.995,31 3.046,33 1.028,34 1.208,35 5.143,36 3.553,37 -2.852,38 -5.635,39 -5.635,40 4.953,41 5.394,42 1062,44 3.489,45 1.526,46 -1.938,47 -1.818,48 -1.938,49 1.115,50 1.556,51 2.236,52 3.032,53 3.134,54 3.448,55 18,56 17.844,57 67.487,58 3.262,59 58,62 6.559,63 1101.24,64 1.526,65 0.307,66 4.061}
{0 CHEMBL17291,2 1.888,17 1.904,19 0.59,27 3.864,30 3.865,31 3.376,33 1.695,34 1.767,35 1.644,36 3.684,37 -3,38 -6.161,39 -6.161,40 3.565,41 4.89,42 526,44 3.644,45 1.23,46 -2,47 -2,48 -2,49 1.889,50 3.21,51 2.864,52 3.097,53 3.169,54 3.438,55 20,56 20.516,57 86.439,58 3.603,59 74,62 6.834,63 1246.33,64 1.926,65 1.636,66 4.502}
{0 CHEMBL1761208,1 8,2 1.979,3 -0.274,4 -0.565,5 -0.565,6 -0.23,7 -0.262,8 -0.218,9 -0.23,10 -1.24,11 -1.24,12 -0.519,13 -0.59,14 -0.491,15 -0.519,16 9.219,17 1.986,18 0.042,19 -0.83,27 3.963,28 0.511,29 0.931,30 3.972,31 4.663,32 2,33 0.372,34 3.01,35 27.683,36 4.84,37 0.47,38 1.005,39 1.005,40 21.25,41 7.56,42 21438,43 6,44 4.816,45 3.512,46 0.439,47 0.401,48 0.439,49 4.867,50 13.034,51 4.188,52 3.966,53 4.072,54 4.547,55 51,56 47.803,57 240.078,58 4.91,59 293,60 1,61 1,62 15.909,63 13768.2,64 3.045,65 8.342,66 4.423}
{0 CHEMBL1761209,1 7,2 1.979,3 -0.297,4 -0.701,5 -0.701,6 -0.282,7 -0.331,8 -0.267,9 -0.282,10 -1.532,11 -1.532,12 -0.599,13 -0.704,14 -0.565,15 -0.599,16 7.853,17 1.986,18 0.002,19 -0.823,27 3.962,28 0.505,29 0.898,30 3.972,31 4.544,32 2,33 0.382,34 2.979,35 27.683,36 4.753,37 0.393,38 0.841,39 0.841,40 21.25,41 7.459,42 18458,43 6,44 4.693,45 3.493,46 0.367,47 0.336,48 0.367,49 4.512,50 11.296,51 4.076,52 3.91,53 4.012,54 4.485,55 48,56 44.92,57 221.133,58 4.772,59 263,60 1,61 1,62 15.202,63 11939.1,64 2.935,65 7.59,66 4.184}
{0 CHEMBL1761210,1 7,2 1.979,3 -0.105,4 -0.17,5 -0.17,6 -0.075,7 -0.08,8 -0.071,9 -0.075,10 -0.872,11 -0.872,12 -0.367,13 -0.424,14 -0.346,15 -0.367,16 7.243,17 1.986,18 0.162,19 -0.798,27 3.962,28 0.516,29 1.043,30 3.972,31 4.783,32 2,33 0.465,34 3.011,35 32.898,36 4.851,37 0.542,38 1.16,39 1.16,40 23.678,41 7.653,42 24245,43 2,44 4.91,45 3.605,46 0.509,47 0.466,48 0.509,49 4.822,50 14.298,51 4.181,52 4.011,53 4.123,54 4.591,55 53,56 49.905,57 251.438,58 5.059,59 324,60 2,61 2,62 16.357,63 15809.2,64 3.111,65 8.076,66 4.325}
{0 CHEMBL1761212,1 5,2 1.979,3 -0.34,4 -0.852,5 -0.852,6 -0.399,7 -0.463,8 -0.379,9 -0.399,10 -1.652,11 -1.652,12 -0.677,13 -0.818,14 -0.65,15 -0.677,16 4.775,17 1.986,18 -0.183,19 -0.823,21 -0.088,22 -0.095,23 -0.147,24 -0.084,25 -0.088,26 -0.147,27 3.962,28 0.13,29 0.898,30 3.972,31 4.752,32 2,33 1.82,34 2.982,35 27.683,36 4.724,40 21.25,41 7.228,42 13070,43 6,44 4.74,45 3.48,49 4.704,50 14.397,51 4.154,52 3.927,53 4.038,54 4.482,55 49,56 46.803,57 227.556,58 5.018,59 263,60 1,61 1,62 15.081,63 11985.7,64 2.987,65 8.608,66 4.248}
{0 CHEMBL1761213,1 8,2 1.978,3 0.03,4 -0.32,5 -0.32,6 -0.131,7 -0.155,8 -0.123,9 -0.131,10 -0.834,11 -0.834,12 -0.348,13 -0.399,14 -0.326,15 -0.348,16 9.021,17 1.983,18 0.163,19 -0.37,27 3.962,28 0.54,29 0.932,30 3.973,31 4.699,32 2,33 0.465,34 3.011,35 30.009,36 4.866,37 0.475,38 1.023,39 1.023,40 23.407,41 7.661,42 23971,43 6,44 4.855,45 3.645,46 0.446,47 0.407,48 0.446,49 4.942,50 13.134,51 4.169,52 3.997,53 4.097,54 4.565,55 52,56 49.131,57 247.121,58 4.94,59 308,60 1,61 1,62 16.332,63 15485.7,64 3.051,65 8.408,66 4.085}
{0 CHEMBL1761214,1 7,2 1.978,3 -0.01,4 -0.365,5 -0.365,6 -0.15,7 -0.18,8 -0.14,9 -0.15,10 -1.017,11 -1.017,12 -0.412,13 -0.49,14 -0.387,15 -0.412,16 7.672,17 1.983,18 0.16,19 -0.356,27 3.962,28 0.532,29 0.898,30 3.973,31 4.584,32 2,33 0.477,34 2.979,35 30.009,36 4.782,37 0.399,38 0.859,39 0.859,40 23.407,41 7.562,42 20687,43 6,44 4.737,45 3.633,46 0.374,47 0.342,48 0.374,49 4.592,50 11.384,51 4.058,52 3.942,53 4.038,54 4.505,55 49,56 46.247,57 228.084,58 4.806,59 277,60 1,61 1,62 15.625,63 13499.7,64 2.944,65 7.661,66 4.162}
{0 CHEMBL1761215,1 5,2 1.978,3 -0.374,4 -0.948,5 -0.948,6 -0.4,7 -0.461,8 -0.377,9 -0.4,10 -1.621,11 -1.621,12 -0.673,13 -0.792,14 -0.628,15 -0.673,16 5.077,17 1.983,18 -0.037,19 0.255,21 -0.16,22 -0.191,23 -0.387,24 -0.15,25 -0.16,26 -0.387,27 3.962,28 0.158,29 0.898,30 3.973,31 4.495,32 2,33 0.49,34 2.85,35 33.456,36 4.647,40 23.215,41 7.395,42 16361,43 6,44 4.592,45 3.64,49 4.254,50 10.115,51 3.94,52 3.884,53 3.978,54 4.399,55 46,56 43.363,57 217.329,58 4.706,59 264,62 14.918,63 11901.9,64 2.968,65 7.034,66 4.201}
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