@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL5704

@attribute molecule_id {CHEMBL1163008,CHEMBL447672,CHEMBL449121,CHEMBL452144,CHEMBL470730,CHEMBL470918,CHEMBL474835,CHEMBL489920,CHEMBL490110,CHEMBL490725,CHEMBL490746,CHEMBL490747,CHEMBL490750,CHEMBL490760,CHEMBL490762,CHEMBL491125,CHEMBL491131,CHEMBL491371,CHEMBL491537,CHEMBL491717,CHEMBL491901,CHEMBL491921,CHEMBL491944,CHEMBL491948,CHEMBL491949,CHEMBL492078,CHEMBL492079,CHEMBL493642,CHEMBL513730,CHEMBL521630,CHEMBL521763,CHEMBL521775,CHEMBL521776,CHEMBL522448,CHEMBL522979,CHEMBL523485,CHEMBL523990,CHEMBL524000,CHEMBL524130,CHEMBL539435,CHEMBL549335,CHEMBL549541,CHEMBL549545,CHEMBL549947,CHEMBL550627,CHEMBL550828,CHEMBL552037,CHEMBL560023,CHEMBL560232,CHEMBL560833,CHEMBL561155,CHEMBL561558,CHEMBL562159,CHEMBL562160,CHEMBL563208,CHEMBL563279,CHEMBL563337,CHEMBL563472,CHEMBL563559,CHEMBL563653,CHEMBL563778,CHEMBL564167,CHEMBL564640,CHEMBL564891,CHEMBL564942,CHEMBL566965,CHEMBL566966,CHEMBL566967,CHEMBL567182,CHEMBL568721,CHEMBL568728,CHEMBL569176,CHEMBL569177,CHEMBL569397,CHEMBL569398,CHEMBL569399,CHEMBL570333,CHEMBL570350,CHEMBL570564,CHEMBL570571,CHEMBL570576,CHEMBL571698,CHEMBL571707,CHEMBL571725,CHEMBL571935,CHEMBL572158,CHEMBL572159,CHEMBL572604,CHEMBL572605,CHEMBL572606,CHEMBL572608,CHEMBL572610,CHEMBL573078,CHEMBL573079,CHEMBL573084,CHEMBL573312,CHEMBL573313,CHEMBL573314,CHEMBL573547,CHEMBL573551,CHEMBL574029,CHEMBL574146,CHEMBL574478,CHEMBL574479,CHEMBL574934,CHEMBL574936,CHEMBL574937,CHEMBL575155,CHEMBL575156,CHEMBL575375,CHEMBL575596,CHEMBL576264,CHEMBL577160,CHEMBL577360,CHEMBL578037,CHEMBL578249,CHEMBL578446,CHEMBL578605,CHEMBL579051,CHEMBL582825,CHEMBL583461,CHEMBL583468,CHEMBL583523,CHEMBL583665,CHEMBL584964,CHEMBL585922}
@attribute IC2 numeric
@attribute MATS7s numeric
@attribute GATS5i numeric
@attribute BIC2 numeric
@attribute MATS5v numeric
@attribute Eig06_AEA.ri. numeric
@attribute JGI4 numeric
@attribute Eig05_AEA.bo. numeric
@attribute Eig05_EA.bo. numeric
@attribute Eig08_EA.bo. numeric
@attribute SM15_AEA.ri. numeric
@attribute Eig08_AEA.bo. numeric
@attribute MATS2m numeric
@attribute SIC2 numeric
@attribute CIC2 numeric
@attribute MATS5p numeric
@attribute GATS8e numeric
@attribute Eig06_EA numeric
@attribute SM14_AEA.bo. numeric
@attribute GATS8s numeric
@attribute ATS6s numeric
@attribute Eig09_EA numeric
@attribute Eig10_AEA.dm. numeric
@attribute Eig13_AEA.ed. numeric
@attribute SM03_AEA.dm. numeric
@attribute GATS1s numeric
@attribute SM09_EA.ri. numeric
@attribute SM10_EA.ri. numeric
@attribute SM11_EA.ri. numeric
@attribute Eig08_AEA.ri. numeric
@attribute Eig08_EA numeric
@attribute Eig08_EA.ri. numeric
@attribute SM02_AEA.dm. numeric
@attribute Eta_betaP_A numeric
@attribute GATS7i numeric
@attribute MATS7e numeric
@attribute ATSC2i numeric
@attribute GATS5p numeric
@attribute SM12_EA.ri. numeric
@attribute SM13_EA.ri. numeric
@attribute SM14_EA.ri. numeric
@attribute SM15_EA.ri. numeric
@attribute SM03_EA.ri. numeric
@attribute ON0 numeric
@attribute ATSC5i numeric
@attribute DBI numeric
@attribute Eig03_AEA.ri. numeric
@attribute SM04_EA.ri. numeric
@attribute Eig09_EA.ed. numeric
@attribute SM04_AEA.ri. numeric
@attribute Eig06_EA.ed. numeric
@attribute SM15_AEA.dm. numeric
@attribute ATS2s numeric
@attribute ATS3s numeric
@attribute Eig03_EA numeric
@attribute SM11_AEA.bo. numeric
@attribute SpMin1_Bh.i. numeric
@attribute Eig04_AEA.dm. numeric
@attribute GATS8i numeric
@attribute Eig11_AEA.dm. numeric
@attribute pXC50 numeric

@data
{1 4.203,2 0.123,3 1.003,4 0.677,5 -0.055,6 2.924,7 0.037,8 3.598,9 3.063,10 1.879,11 3.063,12 2.879,13 0.124,14 0.706,15 1.751,16 -0.064,17 0.911,18 1.951,19 1.951,20 0.914,21 5.921,22 1.49,23 1.119,24 3.247,25 1.49,26 0.698,27 11.401,28 12.583,29 13.709,30 2.572,31 1.589,32 1.559,33 1.589,34 0.55,35 1.099,36 0.067,37 1.52,38 1.023,39 14.878,40 16.028,41 17.196,42 18.359,43 4.371,44 16.167,45 2.023,46 4.416,47 4.075,48 6.166,49 3.943,50 3.943,51 5.946,52 5.946,53 5.821,54 6.084,55 3.145,56 3.145,57 2.02,58 3.06,59 0.976,60 1,61 7.108}
{0 CHEMBL447672,1 4.434,2 -0.111,3 1.088,4 0.682,5 -0.095,6 3.486,7 0.054,8 4.04,9 3.444,10 2.842,11 3.444,12 3.534,13 0.213,14 0.721,15 1.716,16 -0.019,17 1.641,18 2.535,19 2.535,20 1.63,21 6.93,22 2.08,23 2.315,24 4.405,25 2.08,26 0.605,27 12.59,28 13.914,29 15.222,30 3.14,31 2.175,32 2.066,33 2.175,34 0.651,35 1.321,36 -0.148,37 2.367,38 0.964,39 16.556,40 17.89,41 19.234,42 20.581,43 4.87,44 23.083,45 3.497,46 4.416,47 4.057,48 6.709,49 6.068,50 6.068,51 8.404,52 8.404,53 6.398,54 6.475,55 3.112,56 3.112,57 1.909,58 3.405,59 1.248,60 2.143,61 6.708}
{0 CHEMBL449121,1 4.702,2 -0.102,3 0.997,4 0.745,5 -0.111,6 3.499,7 0.056,8 4.112,9 3.401,10 2.756,11 3.401,12 3.517,13 0.304,14 0.784,15 1.298,16 -0.025,17 1.182,18 2.577,19 2.577,20 1.163,21 6.949,22 2.082,23 2.417,24 4.407,25 2.082,26 0.62,27 12.589,28 13.911,29 15.221,30 3.145,31 2.208,32 2.066,33 2.208,34 0.537,35 0.993,36 -0.098,37 2.791,38 0.975,39 16.554,40 17.889,41 19.233,42 20.581,43 4.903,44 23.5,45 3.672,46 5,47 4.059,48 6.671,49 6.391,50 6.391,51 8.817,52 8.817,53 6.709,54 6.437,55 3.147,56 3.147,57 1.907,58 3.616,59 0.98,60 2.148,61 8.051}
{0 CHEMBL452144,1 4.586,2 -0.176,3 1.146,4 0.755,5 -0.158,6 3.364,7 0.06,8 3.844,9 2.998,10 2.253,11 2.998,12 3.158,13 0.3,14 0.79,15 1.221,16 -0.106,17 1.455,18 2.349,19 2.349,20 1.365,21 6.765,22 1.588,23 1.667,24 3.51,25 1.588,26 0.603,27 12.552,28 13.879,29 15.196,30 2.747,31 1.792,32 1.713,33 1.792,34 0.469,35 1.14,36 -0.238,37 2.041,38 1.059,39 16.532,40 17.869,41 19.215,42 20.563,43 4.748,44 18.583,45 2.931,46 4.243,47 4.046,48 6.519,49 4.729,50 4.729,51 8.029,52 8.029,53 6.222,54 6.272,55 3.105,56 3.105,57 1.898,58 3.385,59 1.029,60 1.515,61 6.26}
{0 CHEMBL470730,1 4.689,2 -0.112,3 1.163,4 0.764,5 -0.14,6 3.37,7 0.06,8 3.844,9 2.999,10 2.253,11 2.999,12 3.158,13 0.285,14 0.797,15 1.193,16 -0.102,17 1.689,18 2.355,19 2.355,20 1.622,21 6.79,22 1.604,23 1.711,24 3.511,25 1.604,26 0.6,27 12.552,28 13.879,29 15.196,30 2.748,31 1.792,32 1.713,33 1.792,34 0.455,35 1.178,36 -0.183,37 2.101,38 1.069,39 16.532,40 17.87,41 19.215,42 20.564,43 4.748,44 19.083,45 3.029,46 4.359,47 4.046,48 6.527,49 4.76,50 4.76,51 8.063,52 8.063,53 6.239,54 6.296,55 3.105,56 3.105,57 1.898,58 3.385,59 1.188,60 1.564,61 6.733}
{0 CHEMBL470918,1 4.721,2 -0.2,3 1.126,4 0.772,5 -0.159,6 3.449,7 0.057,8 3.845,9 3.073,10 2.383,11 3.073,12 3.213,13 0.251,14 0.809,15 1.112,16 -0.089,17 1.421,18 2.468,19 2.468,20 1.315,21 6.77,22 1.79,23 2.074,24 3.624,25 1.79,26 0.586,27 12.587,28 13.91,29 15.223,30 2.859,31 1.905,32 1.782,33 1.905,34 0.455,35 1.221,36 -0.267,37 2.085,38 1.041,39 16.556,40 17.892,41 19.236,42 20.584,43 4.842,44 18.417,45 3.033,46 4.183,47 4.058,48 6.59,49 4.979,50 4.979,51 8.372,52 8.372,53 6.228,54 6.276,55 3.11,56 3.11,57 1.897,58 3.408,59 0.986,60 1.612,61 6.842}
{0 CHEMBL474835,1 4.725,2 -0.188,3 1.136,4 0.765,5 -0.148,6 3.448,7 0.056,8 3.845,9 3.056,10 2.356,11 3.056,12 3.208,13 0.24,14 0.8,15 1.182,16 -0.087,17 1.539,18 2.463,19 2.463,20 1.445,21 6.809,22 1.79,23 2.074,24 3.64,25 1.79,26 0.584,27 12.58,28 13.905,29 15.218,30 2.862,31 1.908,32 1.782,33 1.908,34 0.441,35 1.281,36 -0.244,37 2.166,38 1.051,39 16.552,40 17.888,41 19.233,42 20.581,43 4.793,44 18.917,45 3.141,46 4.183,47 4.054,48 6.6,49 4.979,50 4.979,51 8.367,52 8.367,53 6.25,54 6.307,55 3.108,56 3.108,57 1.905,58 3.405,59 1.067,60 1.615,61 6.567}
{0 CHEMBL489920,1 4.733,2 -0.157,3 1.094,4 0.75,5 -0.066,6 3.45,7 0.055,8 3.878,9 3.293,10 2.492,11 3.293,12 3.294,13 0.257,14 0.789,15 1.267,16 -0.02,17 1.469,18 2.485,19 2.485,20 1.505,21 6.9,22 1.8,23 2.074,24 3.743,25 1.8,26 0.608,27 12.584,28 13.908,29 15.219,30 2.933,31 1.994,32 1.807,33 1.994,34 0.579,35 1.32,36 -0.213,37 2.212,38 0.97,39 16.553,40 17.889,41 19.233,42 20.581,43 4.832,44 21.25,45 3.311,46 4.359,47 4.054,48 6.635,49 5.394,50 5.394,51 8.373,52 8.373,53 6.325,54 6.382,55 3.108,56 3.108,57 1.908,58 3.405,59 1.225,60 2.053,61 6.646}
{0 CHEMBL490110,1 4.564,2 -0.137,3 1.092,4 0.725,5 -0.051,6 3.484,7 0.057,8 3.945,9 3.378,10 2.693,11 3.378,12 3.476,13 0.279,14 0.763,15 1.414,16 -0.009,17 1.68,18 2.497,19 2.497,20 1.601,21 6.857,22 1.871,23 2.144,24 3.77,25 1.871,26 0.601,27 12.584,28 13.908,29 15.219,30 3.088,31 2.083,32 2.066,33 2.083,34 0.581,35 1.325,36 -0.212,37 2.219,38 0.952,39 16.553,40 17.888,41 19.233,42 20.58,43 4.842,44 20.75,45 3.245,46 4.243,47 4.056,48 6.637,49 5.817,50 5.817,51 8.383,52 8.383,53 6.298,54 6.368,55 3.111,56 3.111,57 1.909,58 3.404,59 1.231,60 2.007,61 8.06}
{0 CHEMBL490725,1 4.279,2 -0.256,3 1.081,4 0.674,5 -0.052,6 3.485,7 0.057,8 3.911,9 3.32,10 2.651,11 3.32,12 3.409,13 0.25,14 0.708,15 1.765,16 0.002,17 1.542,18 2.51,19 2.51,20 1.509,21 6.991,22 1.913,23 2.147,24 3.759,25 1.913,26 0.6,27 12.6,28 13.924,29 15.235,30 3.073,31 2.078,32 2.046,33 2.078,34 0.566,35 1.358,36 -0.337,37 2.287,38 0.943,39 16.569,40 17.904,41 19.249,42 20.597,43 4.842,44 21.25,45 3.437,46 4.528,47 4.093,48 6.649,49 5.808,50 5.808,51 8.695,52 8.695,53 6.315,54 6.397,55 3.144,56 3.144,57 1.909,58 3.45,59 1.194,60 1.633,61 5}
{0 CHEMBL490746,1 4.63,2 -0.176,3 1.097,4 0.736,5 -0.057,6 3.447,7 0.056,8 3.845,9 3.049,10 2.33,11 3.049,12 3.199,13 0.221,14 0.766,15 1.415,16 -0.025,17 1.655,18 2.457,19 2.457,20 1.588,21 6.871,22 1.791,23 2.074,24 3.681,25 1.791,26 0.579,27 12.576,28 13.902,29 15.215,30 2.866,31 1.913,32 1.783,33 1.913,34 0.417,35 1.328,36 -0.225,37 2.329,38 0.994,39 16.55,40 17.886,41 19.231,42 20.579,43 4.793,44 19.917,45 3.353,46 4.183,47 4.053,48 6.605,49 4.979,50 4.979,51 8.365,52 8.365,53 6.293,54 6.377,55 3.108,56 3.108,57 1.902,58 3.403,59 1.198,60 1.63,61 6.678}
{0 CHEMBL490747,1 4.553,2 -0.065,3 1.094,4 0.723,5 -0.049,6 3.45,7 0.058,8 3.857,9 3.293,10 2.476,11 3.293,12 3.249,13 0.226,14 0.762,15 1.425,16 -0.018,17 1.695,18 2.472,19 2.472,20 1.644,21 6.853,22 1.791,23 2.074,24 3.692,25 1.791,26 0.597,27 12.565,28 13.891,29 15.203,30 2.889,31 1.952,32 1.786,33 1.952,34 0.568,35 1.143,36 -0.14,37 2.22,38 0.955,39 16.538,40 17.874,41 19.219,42 20.566,43 4.798,44 20.417,45 3.23,46 4.301,47 4.047,48 6.613,49 4.982,50 4.982,51 8.192,52 8.192,53 6.297,54 6.356,55 3.106,56 3.106,57 1.906,58 3.391,59 1.352,60 1.677,61 6.056}
{0 CHEMBL490750,1 4.602,2 -0.13,3 1.095,4 0.738,5 -0.105,6 3.482,7 0.057,8 3.945,9 3.378,10 2.693,11 3.378,12 3.476,13 0.204,14 0.779,15 1.305,16 -0.033,17 1.584,18 2.497,19 2.497,20 1.542,21 6.861,22 1.871,23 2.15,24 3.77,25 1.871,26 0.602,27 12.578,28 13.903,29 15.216,30 3.065,31 2.083,32 1.897,33 2.083,34 0.581,35 1.318,36 -0.185,37 2.137,38 0.934,39 16.551,40 17.887,41 19.232,42 20.579,43 4.813,44 20.75,45 3.168,46 4.243,47 4.055,48 6.615,49 5.817,50 5.817,51 8.383,52 8.383,53 6.299,54 6.369,55 3.111,56 3.111,57 1.907,58 3.405,59 1.226,60 2.031,61 7.921}
{0 CHEMBL490760,1 4.677,2 -0.174,3 1.091,4 0.741,5 -0.09,6 3.484,7 0.055,8 4.031,9 3.379,10 2.531,11 3.379,12 3.306,13 0.257,14 0.78,15 1.323,16 -0.031,17 1.396,18 2.507,19 2.507,20 1.452,21 6.905,22 1.834,23 2.129,24 3.767,25 1.834,26 0.607,27 12.594,28 13.917,29 15.227,30 2.942,31 1.996,32 1.845,33 1.996,34 0.579,35 1.308,36 -0.234,37 2.212,38 0.976,39 16.56,40 17.894,41 19.238,42 20.584,43 4.832,44 21.25,45 3.357,46 4.359,47 4.105,48 6.639,49 5.722,50 5.722,51 8.742,52 8.742,53 6.323,54 6.385,55 3.16,56 3.16,57 1.907,58 3.436,59 1.231,60 1.901,61 7.237}
{0 CHEMBL490762,1 4.575,2 -0.048,3 1.086,4 0.733,5 -0.085,6 3.45,7 0.057,8 3.87,9 3.293,10 2.476,11 3.293,12 3.247,13 0.204,14 0.775,15 1.332,16 -0.01,17 1.64,18 2.481,19 2.481,20 1.568,21 6.86,22 1.791,23 2.074,24 3.73,25 1.791,26 0.602,27 12.582,28 13.907,29 15.219,30 2.881,31 1.945,32 1.784,33 1.945,34 0.581,35 1.325,36 -0.082,37 2.137,38 0.935,39 16.554,40 17.889,41 19.234,42 20.581,43 4.813,44 20.75,45 3.146,46 4.243,47 4.059,48 6.617,49 4.982,50 4.982,51 8.391,52 8.391,53 6.296,54 6.372,55 3.111,56 3.111,57 1.908,58 3.424,59 1.234,60 1.826,61 5.186}
{0 CHEMBL491125,1 4.635,2 -0.177,3 1.089,4 0.743,5 -0.099,6 3.449,7 0.056,8 3.866,9 3.293,10 2.487,11 3.293,12 3.28,13 0.204,14 0.785,15 1.272,16 -0.014,17 1.493,18 2.477,19 2.477,20 1.457,21 6.883,22 1.795,23 2.074,24 3.739,25 1.795,26 0.602,27 12.578,28 13.904,29 15.216,30 2.909,31 1.981,32 1.787,33 1.981,34 0.581,35 1.313,36 -0.231,37 2.137,38 0.927,39 16.551,40 17.887,41 19.232,42 20.58,43 4.813,44 20.75,45 3.158,46 4.243,47 4.054,48 6.615,49 5.169,50 5.169,51 8.37,52 8.37,53 6.299,54 6.366,55 3.108,56 3.108,57 1.908,58 3.405,59 1.233,60 2.045,61 6.611}
{0 CHEMBL491131,1 4.271,2 -0.204,3 1.085,4 0.678,5 -0.071,6 3.47,7 0.056,8 3.862,9 3.299,10 2.513,11 3.299,12 3.259,13 0.235,14 0.714,15 1.707,16 -0.011,17 1.578,18 2.473,19 2.473,20 1.525,21 6.92,22 1.89,23 2.135,24 3.691,25 1.89,26 0.597,27 12.581,28 13.907,29 15.22,30 2.867,31 1.916,32 1.8,33 1.916,34 0.581,35 1.337,36 -0.281,37 2.22,38 0.952,39 16.555,40 17.891,41 19.236,42 20.584,43 4.793,44 20.417,45 3.306,46 4.301,47 4.063,48 6.618,49 5.382,50 5.382,51 8.473,52 8.473,53 6.296,54 6.361,55 3.117,56 3.117,57 1.908,58 3.415,59 1.207,60 1.631,61 7.004}
{0 CHEMBL491371,1 4.685,2 -0.177,3 1.146,4 0.751,5 -0.136,6 3.448,7 0.055,8 3.845,9 3.051,10 2.34,11 3.051,12 3.203,13 0.232,14 0.784,15 1.292,16 -0.085,17 1.646,18 2.459,19 2.459,20 1.563,21 6.846,22 1.791,23 2.074,24 3.659,25 1.791,26 0.581,27 12.578,28 13.902,29 15.216,30 2.864,31 1.911,32 1.783,33 1.911,34 0.429,35 1.337,36 -0.225,37 2.268,38 1.061,39 16.551,40 17.887,41 19.232,42 20.58,43 4.793,44 19.417,45 3.25,46 4.183,47 4.053,48 6.597,49 4.979,50 4.979,51 8.365,52 8.365,53 6.276,54 6.349,55 3.108,56 3.108,57 1.898,58 3.403,59 1.135,60 1.619,61 6.386}
{0 CHEMBL491537,1 4.378,2 -0.143,3 1.089,4 0.702,5 -0.092,6 3.447,7 0.056,8 3.847,9 3.291,10 2.474,11 3.291,12 3.241,13 0.245,14 0.741,15 1.529,16 -0.024,17 1.627,18 2.457,19 2.457,20 1.553,21 6.849,22 1.791,23 2.074,24 3.681,25 1.791,26 0.6,27 12.576,28 13.902,29 15.215,30 2.866,31 1.913,32 1.783,33 1.913,34 0.597,35 1.317,36 -0.211,37 2.157,38 0.962,39 16.55,40 17.886,41 19.231,42 20.579,43 4.793,44 19.917,45 3.175,46 4.183,47 4.053,48 6.605,49 4.979,50 4.979,51 8.365,52 8.365,53 6.28,54 6.338,55 3.108,56 3.108,57 1.907,58 3.403,59 1.225,60 1.63,61 6.538}
{0 CHEMBL491717,1 4.343,2 -0.172,3 1.134,4 0.71,5 -0.146,6 3.123,7 0.054,8 3.845,9 3.22,10 2.259,11 3.22,12 3.158,13 0.171,14 0.755,15 1.412,16 -0.108,17 1.265,18 2.145,19 2.145,20 1.176,21 6.798,22 1.579,23 1.63,24 3.553,25 1.579,26 0.595,27 12.434,28 13.776,29 15.101,30 2.751,31 1.795,32 1.717,33 1.795,34 0.632,35 1.196,36 -0.242,37 2.018,38 1.057,39 16.448,40 17.795,41 19.149,42 20.505,43 4.572,44 18.167,45 2.966,46 3.808,47 3.92,48 6.463,49 4.459,50 4.459,51 6.684,52 6.684,53 6.24,54 6.261,55 3.02,56 3.02,57 1.882,58 3.399,59 1.042,60 1.601,61 5.347}
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