@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL2157851

@attribute molecule_id {CHEMBL2159495,CHEMBL2159496,CHEMBL2159497,CHEMBL2159498,CHEMBL2159499,CHEMBL2159500,CHEMBL2159501,CHEMBL2159502,CHEMBL2159503,CHEMBL2159504,CHEMBL2159505,CHEMBL2159506,CHEMBL2159507,CHEMBL2159508}
@attribute AECC numeric
@attribute AMR numeric
@attribute ATS1s numeric
@attribute ATS1v numeric
@attribute ATS2v numeric
@attribute ATS3v numeric
@attribute ATS4m numeric
@attribute ATS4v numeric
@attribute ATS5s numeric
@attribute ATS5v numeric
@attribute ATS6m numeric
@attribute ATS6v numeric
@attribute ATS7m numeric
@attribute ATS7v numeric
@attribute ATS8v numeric
@attribute ATSC4m numeric
@attribute ATSC5m numeric
@attribute BBI numeric
@attribute BID numeric
@attribute CENT numeric
@attribute Chi0_AEA.bo. numeric
@attribute Chi0_AEA.dm. numeric
@attribute Chi0_AEA.ed. numeric
@attribute Chi0_AEA.ri. numeric
@attribute Chi0_EA numeric
@attribute Chi0_EA.bo. numeric
@attribute Chi0_EA.ri. numeric
@attribute Chi1_AEA.bo. numeric
@attribute Chi1_AEA.dm. numeric
@attribute Chi1_AEA.ed. numeric
@attribute Chi1_AEA.ri. numeric
@attribute Chi1_EA numeric
@attribute Chi1_EA.ed. numeric
@attribute Chi1_EA.ri. numeric
@attribute CID numeric
@attribute CSI numeric
@attribute DBI numeric
@attribute D.Dtr05 numeric
@attribute D.Dtr06 numeric
@attribute DLS_01 numeric
@attribute DLS_03 numeric
@attribute Dz numeric
@attribute ECC numeric
@attribute Eig06_AEA.ri. numeric
@attribute Eig06_EA.ri. numeric
@attribute Eig08_EA.bo. numeric
@attribute Eig08_EA.ed. numeric
@attribute Eig09_AEA.ed. numeric
@attribute Eig09_AEA.ri. numeric
@attribute Eig09_EA.ri. numeric
@attribute Eig10_AEA.ed. numeric
@attribute Eig10_AEA.ri. numeric
@attribute Eig10_EA numeric
@attribute Eig10_EA.bo. numeric
@attribute Eig10_EA.ed. numeric
@attribute Eig10_EA.ri. numeric
@attribute Eig12_AEA.ed. numeric
@attribute Eig12_AEA.ri. numeric
@attribute Eig12_EA numeric
@attribute Eig12_EA.bo. numeric
@attribute Eig12_EA.ed. numeric
@attribute Eig13_AEA.ed. numeric
@attribute Eig13_EA numeric
@attribute Eig13_EA.bo. numeric
@attribute Eig13_EA.ed. numeric
@attribute Eig13_EA.ri. numeric
@attribute Eig14_AEA.ed. numeric
@attribute Eig14_AEA.ri. numeric
@attribute Eig14_EA numeric
@attribute Eig14_EA.bo. numeric
@attribute Eig14_EA.ri. numeric
@attribute Eig15_AEA.dm. numeric
@attribute Eig15_AEA.ed. numeric
@attribute Eta_alpha numeric
@attribute Eta_betaS numeric
@attribute Eta_C numeric
@attribute Eta_epsi numeric
@attribute Eta_FL numeric
@attribute GATS2m numeric
@attribute GATS3m numeric
@attribute GATS8e numeric
@attribute GGI7 numeric
@attribute GGI9 numeric
@attribute GMTI numeric
@attribute GMTIV numeric
@attribute IAC numeric
@attribute IC3 numeric
@attribute IC4 numeric
@attribute IC5 numeric
@attribute IDDM numeric
@attribute IDET numeric
@attribute IDMT numeric
@attribute IVDM numeric
@attribute LPRS numeric
@attribute MATS2m numeric
@attribute MATS8e numeric
@attribute MDDD numeric
@attribute MPC01 numeric
@attribute MPC02 numeric
@attribute MPC03 numeric
@attribute MPC05 numeric
@attribute MPC08 numeric
@attribute MPC09 numeric
@attribute MPC10 numeric
@attribute MSD numeric
@attribute MW numeric
@attribute MWC01 numeric
@attribute MWC02 numeric
@attribute pXC50 numeric

@data
{1 7.35,2 84.167,3 4.785,4 3.15,5 3.523,6 3.574,7 4.114,8 3.442,9 5.153,10 3.271,11 3.889,12 3.287,13 3.652,14 3.111,15 2.734,16 21.478,17 14.681,18 30,19 3.058,20 490,21 12.776,22 12.776,23 12.776,24 12.776,25 12.776,26 10.876,27 13.341,28 10.298,29 10.298,30 10.298,31 10.298,32 10.298,33 3.417,34 11.454,35 3.705,36 297,37 3.162,38 57.091,39 67.045,40 1,41 1,42 44.167,43 147,44 2.359,45 1.283,46 1.192,47 1.961,48 3.023,49 1.033,50 0.201,51 2.361,52 0.607,53 -0.201,54 -0.254,55 -0.488,56 -0.145,57 2,58 0.101,59 -1,60 -1.244,61 -2,62 1.846,63 -1,64 -1.487,65 -2,66 -1,67 1.463,68 -0.205,69 -1.145,70 -1.626,71 -1.035,72 -0.827,73 1.329,74 10.495,75 12,76 16.186,77 20.705,78 5.076,79 0.639,80 1.02,81 1.215,82 0.341,83 0.031,84 3162,85 16353,86 56.956,87 4.505,88 4.505,89 4.505,90 4.296,91 577.541,92 5929.63,93 4.201,94 87.395,95 0.161,96 0.11,97 13.6,98 3.091,99 3.434,100 3.664,101 4.007,102 3.951,103 3.912,104 3.784,105 4.771,106 348.24,107 3.091,108 4.635,109 5.367}
{0 CHEMBL2159496,1 7.222,2 74.557,3 4.722,4 3.076,5 3.42,6 3.402,7 3.789,8 3.301,9 5.036,10 3.147,11 3.376,12 3.121,13 2.93,14 2.887,15 2.464,16 18.043,17 10.712,18 26,19 2.961,20 386,21 11.776,22 11.776,23 11.776,24 11.776,25 11.776,26 9.982,27 12.139,28 9.379,29 9.379,30 9.379,31 9.379,32 9.379,33 3.346,34 10.049,35 3.61,36 265,37 3,38 51.462,39 59.311,40 1,41 1,42 39.5,43 130,44 2.052,45 1.02,46 1.19,47 1.96,48 2.784,49 0.749,50 -0.077,51 2,52 0.101,53 -0.839,54 -1.098,55 -2,56 -0.731,57 1.555,59 -1,60 -1.5,61 -2.047,62 1.553,63 -1,64 -1.599,65 -2.347,66 -1.029,67 1.345,68 -0.206,69 -1.153,70 -1.866,71 -1.096,72 -1.106,73 1.178,74 9.067,75 10.5,76 11.927,77 18.533,78 4.9,79 0.679,80 1.245,81 1.724,82 0.175,83 0.031,84 2480,85 9927,86 50.078,87 4.106,88 4.208,89 4.208,90 4.141,91 456.677,92 4343.31,93 4.076,94 75.696,95 0.273,96 -0.384,97 12.062,98 2.996,99 3.296,100 3.497,101 3.871,102 3.664,103 3.611,104 3.434,105 4.543,106 279.36,107 2.996,108 4.511,109 4.854}
{0 CHEMBL2159497,1 7.95,2 84.167,3 4.784,4 3.15,5 3.523,6 3.555,7 4.127,8 3.44,9 5.142,10 3.269,11 3.718,12 3.249,13 3.689,14 3.09,15 2.738,16 21.728,17 15.154,18 30,19 3.058,20 496,21 12.723,22 12.723,23 12.723,24 12.723,25 12.723,26 10.852,27 13.327,28 10.324,29 10.324,30 10.324,31 10.324,32 10.324,33 3.449,34 11.496,35 3.705,36 322,37 3.162,38 58.064,39 67.045,40 1,41 1,42 44.167,43 159,44 2.333,45 1.227,46 1.192,47 1.961,48 3,49 1.09,50 0.213,51 2.359,52 0.309,53 -0.503,54 -0.618,55 -1.242,56 -0.293,57 2,58 0.101,59 -1,60 -1.243,61 -2,62 1.846,63 -1,64 -1.407,65 -2,66 -1,67 1.463,68 -0.201,69 -1.106,70 -1.615,71 -1.036,72 -0.827,73 1.372,74 10.495,75 12,76 16.003,77 20.705,78 5.061,79 0.639,80 1.241,81 1.43,82 0.308,83 0.071,84 3218,85 16865,86 56.956,87 4.505,88 4.505,89 4.505,90 4.294,91 589.965,92 6018.97,93 4.201,94 87.692,95 0.161,96 -0.147,97 14.1,98 3.091,99 3.434,100 3.638,101 4.025,102 3.932,103 3.951,104 3.829,105 4.873,106 348.24,107 3.091,108 4.635,109 5.432}
{0 CHEMBL2159498,1 7.95,2 74.99,3 4.887,4 3.111,5 3.469,6 3.476,7 3.941,8 3.362,9 5.276,10 3.205,11 3.569,12 3.182,13 3.396,14 2.986,15 2.6,16 15.185,17 8.42,18 30,19 3.058,20 496,21 12.723,22 12.723,23 12.723,24 12.723,25 12.723,26 10.852,27 13.191,28 10.324,29 10.324,30 10.324,31 10.324,32 10.324,33 3.449,34 11.214,35 3.705,36 322,37 3.162,38 58.064,39 67.045,40 1,41 1,42 46.5,43 159,44 2.365,45 1.321,46 1.192,47 1.961,48 3,49 1.142,50 0.246,51 2.359,52 0.37,53 -0.503,54 -0.618,55 -1.242,56 -0.414,57 2,58 0.101,59 -1,60 -1.243,61 -2,62 1.846,63 -1,64 -1.407,65 -2,66 -1,67 1.463,68 -0.196,69 -1.106,70 -1.615,71 -1.048,72 -0.827,73 1.372,74 9.638,75 12,76 14.37,77 21.562,78 5.323,79 0.659,80 1.279,81 1.279,82 0.308,83 0.071,84 3218,85 16865,86 56.956,87 4.505,88 4.505,89 4.505,90 4.294,91 589.965,92 6018.97,93 4.201,94 87.692,95 0.272,96 -0.061,97 14.1,98 3.091,99 3.434,100 3.638,101 4.025,102 3.932,103 3.951,104 3.829,105 4.873,106 315.34,107 3.091,108 4.635,109 5.06}
{0 CHEMBL2159499,1 7.3,2 84.167,3 4.785,4 3.15,5 3.523,6 3.576,7 4.172,8 3.466,9 5.182,10 3.308,11 3.859,12 3.304,13 3.694,14 3.109,15 2.68,16 21.793,17 16.099,18 30,19 3.058,20 488,21 12.776,22 12.776,23 12.776,24 12.776,25 12.776,26 10.876,27 13.348,28 10.308,29 10.308,30 10.308,31 10.308,32 10.308,33 3.425,34 11.453,35 3.705,36 295,37 3.162,38 56.31,39 67.045,40 1,41 1,42 44.167,43 146,44 2.396,45 1.367,46 1.192,47 1.961,48 3.022,49 1.107,50 0.242,51 2.352,52 0.473,53 -0.347,54 -0.445,55 -0.757,56 -0.229,57 2,58 0.101,59 -1,60 -1.244,61 -2,62 1.846,63 -1,64 -1.488,65 -2,66 -1,67 1.456,68 -0.206,69 -1.146,70 -1.62,71 -1.034,72 -0.827,73 1.353,74 10.495,75 12,76 16.287,77 20.705,78 5.077,79 0.639,80 1.041,81 1.255,82 0.3,83 0.031,84 3114,85 15969,86 56.956,87 4.208,88 4.208,89 4.208,90 4.296,91 570.224,92 5853.63,93 4.201,94 87.121,95 0.161,97 13.5,98 3.091,99 3.434,100 3.664,101 4.025,102 3.932,103 3.85,104 3.714,105 4.688,106 348.24,107 3.091,108 4.635,109 5.658}
{0 CHEMBL2159500,1 7.3,2 82.01,3 4.802,4 3.117,5 3.489,6 3.535,7 4.17,8 3.43,9 5.181,10 3.287,11 3.87,12 3.275,13 3.7,14 3.052,15 2.581,16 18.506,17 15.344,18 30,19 3.058,20 488,21 12.776,22 12.776,23 12.776,24 12.776,25 12.776,26 10.876,27 13.413,28 10.308,29 10.308,30 10.308,31 10.308,32 10.308,33 3.425,34 11.559,35 3.705,36 295,37 3.162,38 56.31,39 67.045,40 1,41 1,42 44.667,43 146,44 2.345,45 1.294,46 1.192,47 1.961,48 3.022,49 1.091,50 0.239,51 2.352,52 0.425,53 -0.347,54 -0.445,55 -0.757,56 -0.222,57 2,58 0.101,59 -1,60 -1.244,61 -2,62 1.846,63 -1,64 -1.488,65 -2,66 -1,67 1.456,68 -0.206,69 -1.146,70 -1.62,71 -1.033,72 -0.827,73 1.353,74 10.395,75 12.5,76 15.987,77 20.805,78 5.157,79 0.664,80 1.107,81 1.21,82 0.3,83 0.031,84 3114,85 16879,86 57.893,87 4.133,88 4.133,89 4.133,90 4.296,91 570.224,92 5853.63,93 4.201,94 87.121,95 0.151,96 0.117,97 13.5,98 3.091,99 3.434,100 3.664,101 4.025,102 3.932,103 3.85,104 3.714,105 4.688,106 349.23,107 3.091,108 4.635,109 5.921}
{0 CHEMBL2159501,1 10.852,2 110.535,3 5.076,4 3.464,5 3.864,6 3.96,7 4.383,8 3.873,9 5.703,10 3.762,11 4.242,12 3.778,13 4.171,14 3.684,15 3.473,16 40.353,17 35.114,18 41,19 3.34,20 1119,21 17.654,22 17.654,23 17.654,24 17.654,25 17.654,26 15.807,27 18.485,28 14.267,29 14.267,30 14.267,31 14.267,32 14.267,33 4.852,34 15.801,35 4.015,36 616,37 3.464,38 79.811,39 195.942,40 1,41 1,42 59.667,43 293,44 2.746,45 1.606,46 2.007,47 3.492,48 3.917,49 2.074,50 1.036,51 3.547,52 1.984,53 1,54 1.199,55 2.275,56 0.983,57 3.033,58 1.095,59 0.38,60 0.44,61 0.94,62 2.723,63 0.062,64 0.066,65 0.138,66 0.059,67 2.352,68 0.425,69 -0.347,70 -0.445,71 -0.222,72 0.31,73 2.247,74 13.695,75 17.75,76 26.365,77 29.505,78 6.01,79 0.625,80 0.801,81 1.408,82 0.531,83 0.247,84 8376,85 31565,86 88.574,87 4.618,88 4.618,89 4.618,90 4.725,91 1245.56,92 16022.8,93 4.659,94 133.708,95 0.144,96 -0.044,97 24.979,98 3.401,99 3.738,100 3.97,101 4.382,102 4.543,103 4.575,104 4.635,105 6.378,106 447.4,107 3.401,108 4.949,109 5.886}
{0 CHEMBL2159502,1 10.852,2 112.692,3 5.064,4 3.487,5 3.888,6 3.987,7 4.384,8 3.896,9 5.704,10 3.775,11 4.235,12 3.796,13 4.168,14 3.715,15 3.515,16 43.686,17 36.628,18 41,19 3.34,20 1119,21 17.654,22 17.654,23 17.654,24 17.654,25 17.654,26 15.807,27 18.42,28 14.267,29 14.267,30 14.267,31 14.267,32 14.267,33 4.852,34 15.696,35 4.015,36 616,37 3.464,38 79.811,39 195.942,40 1,41 1,42 59.167,43 293,44 2.752,45 1.616,46 2.007,47 3.492,48 3.917,49 2.084,50 1.045,51 3.547,52 1.984,53 1,54 1.199,55 2.275,56 0.983,57 3.033,58 1.11,59 0.38,60 0.44,61 0.94,62 2.723,63 0.062,64 0.066,65 0.138,66 0.059,67 2.352,68 0.473,69 -0.347,70 -0.445,71 -0.229,72 0.31,73 2.247,74 13.795,75 17.25,76 26.699,77 29.405,78 5.93,79 0.622,80 0.795,81 1.476,82 0.531,83 0.247,84 8376,85 30199,86 87.731,87 4.67,88 4.67,89 4.67,90 4.725,91 1245.56,92 16022.8,93 4.659,94 133.708,95 0.144,96 -0.112,97 24.979,98 3.401,99 3.738,100 3.97,101 4.382,102 4.543,103 4.575,104 4.635,105 6.378,106 446.41,107 3.401,108 4.949,109 5.26}
{0 CHEMBL2159503,1 14.818,2 134.21,3 5.299,4 3.649,5 4.009,6 4.089,7 4.49,8 4.029,9 5.876,10 3.976,11 4.363,12 3.986,13 4.312,14 3.903,15 3.759,16 42.845,17 33.31,18 48,19 3.531,20 2170,21 21.637,22 21.637,23 21.637,24 21.637,25 21.637,26 19.067,27 22.605,28 17.25,29 17.25,30 17.25,31 17.25,32 17.25,33 6.109,34 19.003,35 4.209,36 1017,37 4.359,38 106.359,39 254.108,40 0.75,41 0.67,42 72.667,43 489,44 3.056,45 1.969,46 2.227,47 5.104,48 4.078,49 2.356,50 1.307,51 3.922,52 2.309,53 1.371,54 1.593,55 3.06,56 1.275,57 3.489,58 2,59 1,60 1.413,61 2.275,62 3.414,63 0.778,64 1.206,65 2.038,66 0.688,67 3.033,68 1.372,69 0.456,70 0.495,71 0.412,72 1,73 2.828,74 16.529,75 21.25,76 29.947,77 35.671,78 8.384,79 0.653,80 0.876,81 0.93,82 0.668,83 0.318,84 15998,85 57900,86 104.903,87 4.945,88 4.945,89 4.945,90 5.007,91 2121.05,92 33491.9,93 4.954,94 178.882,95 0.154,96 0.141,97 43.811,98 3.584,99 3.892,100 4.094,101 4.489,102 4.718,103 4.762,104 4.844,105 8.538,106 527.49,107 3.584,108 5.118,109 6.276}
{0 CHEMBL2159504,1 11.607,2 111.325,3 5.144,4 3.459,5 3.822,6 3.889,7 4.396,8 3.818,9 5.675,10 3.743,11 4.241,12 3.745,13 4.171,14 3.634,15 3.423,16 19.682,17 21.48,18 42,19 3.374,20 1252,21 18.524,22 18.524,23 18.524,24 18.524,25 18.524,26 15.954,27 19.418,28 14.695,29 14.695,30 14.695,31 14.695,32 14.695,33 4.991,34 16.249,35 4.05,36 682,37 3.606,38 84.129,39 205.084,40 1,41 1,42 62.167,43 325,44 2.75,45 1.608,46 2.056,47 3.501,48 3.921,49 2.08,50 1.041,51 3.548,52 2,53 1,54 1.5,55 2.275,56 1,57 3.035,58 1.429,59 0.553,60 0.626,61 0.965,62 2.867,63 0.377,64 0.438,65 0.862,66 0.24,67 2.519,68 0.785,69 -0.173,70 -0.214,71 -0.163,72 0.521,73 2.352,74 14.129,75 18,76 22.37,77 29.071,78 7.803,79 0.667,80 0.961,81 1.072,82 0.563,83 0.247,84 9355,85 40575,86 81.835,87 4.702,88 4.702,89 4.702,90 4.776,91 1374,92 18243.7,93 4.714,94 140.92,95 0.117,96 0.114,97 26.929,98 3.434,99 3.761,100 4.007,101 4.407,102 4.585,103 4.615,104 4.673,105 6.698,106 456.35,107 3.434,108 4.977,109 6.06}
{0 CHEMBL2159505,1 11.833,2 118.617,3 5.163,4 3.539,5 3.92,6 3.99,7 4.482,8 3.909,9 5.818,10 3.801,11 4.305,12 3.784,13 4.26,14 3.701,15 3.53,16 23.033,17 23.239,18 47,19 3.44,20 1536,21 19.126,22 19.126,23 19.126,24 19.126,25 19.126,26 16.255,27 20.086,28 15.742,29 15.742,30 15.742,31 15.742,32 15.742,33 5.12,34 17.536,35 4.111,36 740,37 4.243,38 92.765,39 223.37,40 0.75,41 0.83,42 67.167,43 355,44 2.768,45 1.635,46 2.293,47 4.722,48 4.07,49 2.334,50 1.287,51 3.918,52 2.061,53 1.114,54 1.569,55 2.989,56 1.025,57 3.414,58 1.683,59 0.773,60 1.204,61 2.033,62 3.035,63 0.379,64 0.44,65 0.938,66 0.241,67 2.88,68 0.889,69 -0.09,70 -0.116,71 -0.086,72 1,73 2.544,74 15.295,75 19,76 24.755,77 31.505,78 8.112,79 0.816,80 1.025,81 0.96,82 0.656,83 0.278,84 11325,85 54363,86 89,87 4.754,88 4.754,89 4.754,90 4.878,91 1620.55,92 22870.4,93 4.788,94 155.048,95 0.01,96 0.216,97 30.52,98 3.497,99 3.871,100 4.078,101 4.454,102 4.663,103 4.691,104 4.745,105 7.163,106 504.42,107 3.497,108 5.069,109 6.301}
{0 CHEMBL2159506,1 7.895,2 82.58,3 4.677,4 3.146,5 3.502,6 3.541,7 3.952,8 3.375,9 5.015,10 3.252,11 3.521,12 3.19,13 3.462,14 2.974,15 2.687,16 19.455,17 14.65,18 28,19 3.01,20 420,21 12.386,22 12.386,23 12.386,24 12.386,25 12.386,26 10.727,27 12.946,28 9.777,29 9.777,30 9.777,31 9.777,32 9.777,33 3.299,34 10.894,35 3.659,36 305,37 2.828,38 54.464,39 63.603,40 1,41 1,42 40.167,43 150,44 2.214,45 1.135,46 0.63,47 0.76,48 2.662,49 1.084,50 0.204,51 2.359,52 0.303,53 -0.508,54 -0.62,55 -1.242,56 -0.293,57 2,58 0.101,59 -1,60 -1.26,61 -2,62 1.52,63 -1.099,64 -1.47,65 -2.772,66 -1.036,67 1.374,68 -0.347,69 -1.175,70 -1.674,71 -1.096,72 -1.11,73 1.368,74 10.329,75 11,76 15.213,77 18.471,78 4.75,79 0.645,80 1.257,81 1.347,82 0.293,83 0.071,84 2871,85 13602,86 50.454,87 4.518,88 4.518,89 4.518,90 4.22,91 529.65,92 5205.24,93 4.14,94 81.937,95 0.165,96 0.056,97 12.848,98 3.045,99 3.367,100 3.584,101 3.951,102 3.871,103 3.829,104 3.714,105 4.807,106 328.25,107 3.045,108 4.575,109 4.5}
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