@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL2488

@attribute molecule_id {CHEMBL1090937,CHEMBL1090938,CHEMBL1091741,CHEMBL1091743,CHEMBL1091744,CHEMBL1092097,CHEMBL1092431,CHEMBL1092432,CHEMBL1092976,CHEMBL1093820,CHEMBL1094155,CHEMBL1094156,CHEMBL1094157,CHEMBL1094160,CHEMBL1094161,CHEMBL1094419,CHEMBL1094464,CHEMBL1094470,CHEMBL1094789,CHEMBL1094790,CHEMBL1094813,CHEMBL1094814,CHEMBL1095064,CHEMBL1095065,CHEMBL1095066,CHEMBL1095117,CHEMBL1095767,CHEMBL1095768,CHEMBL1095769,CHEMBL1096382,CHEMBL1096750,CHEMBL1098047,CHEMBL1099047,CHEMBL1207972,CHEMBL1813115,CHEMBL1813116,CHEMBL1813117,CHEMBL1813118,CHEMBL1813119,CHEMBL1813120,CHEMBL1813121,CHEMBL1813276,CHEMBL1813287,CHEMBL1819603,CHEMBL1819604,CHEMBL1819605,CHEMBL1819606,CHEMBL1819607,CHEMBL1819611,CHEMBL1819612,CHEMBL1819622,CHEMBL1819623,CHEMBL182555,CHEMBL182572,CHEMBL183933,CHEMBL183983,CHEMBL184684,CHEMBL185087,CHEMBL185251,CHEMBL185277,CHEMBL185369,CHEMBL186244,CHEMBL186735,CHEMBL1929526,CHEMBL1929527,CHEMBL1929528,CHEMBL1929529,CHEMBL1929530,CHEMBL1929531,CHEMBL1929532,CHEMBL1929533,CHEMBL1929534,CHEMBL1929535,CHEMBL1929536,CHEMBL1929537,CHEMBL1929538,CHEMBL1929539,CHEMBL1929540,CHEMBL1929541,CHEMBL1929542,CHEMBL1929543,CHEMBL1929544,CHEMBL1929545,CHEMBL1929546,CHEMBL1929547,CHEMBL1929548,CHEMBL1929549,CHEMBL1929550,CHEMBL1929551,CHEMBL1933717,CHEMBL1933718,CHEMBL1933719,CHEMBL1933720,CHEMBL1933721,CHEMBL1933722,CHEMBL1933723,CHEMBL1933724,CHEMBL1933725,CHEMBL1933726,CHEMBL1933727,CHEMBL1933728,CHEMBL1957308,CHEMBL1957430,CHEMBL1957431,CHEMBL1957432,CHEMBL1957433,CHEMBL1957434,CHEMBL1957435,CHEMBL1957436,CHEMBL1957437,CHEMBL2036307,CHEMBL2036308,CHEMBL2036309,CHEMBL2036310,CHEMBL2036311,CHEMBL2036312,CHEMBL2036313,CHEMBL2036314,CHEMBL2036315,CHEMBL2036316,CHEMBL2036317,CHEMBL2036318,CHEMBL2036319,CHEMBL2036320,CHEMBL2036321,CHEMBL2036322,CHEMBL2036323,CHEMBL2036324,CHEMBL2036325,CHEMBL2036326,CHEMBL2037289,CHEMBL2037290,CHEMBL2037291,CHEMBL2037292,CHEMBL222715,CHEMBL223151,CHEMBL2315046,CHEMBL2315047,CHEMBL2315048,CHEMBL2315049,CHEMBL2315050,CHEMBL2315051,CHEMBL2315052,CHEMBL2315053,CHEMBL2315054,CHEMBL2315055,CHEMBL2315056,CHEMBL2315057,CHEMBL2315058,CHEMBL2315059,CHEMBL291630,CHEMBL292717,CHEMBL292964,CHEMBL293242,CHEMBL293647,CHEMBL293697,CHEMBL293856,CHEMBL294108,CHEMBL294585,CHEMBL303532,CHEMBL303763,CHEMBL303787,CHEMBL304225,CHEMBL304887,CHEMBL305126,CHEMBL305568,CHEMBL359564,CHEMBL361098,CHEMBL361452,CHEMBL361457,CHEMBL362541,CHEMBL363984,CHEMBL364421,CHEMBL364593,CHEMBL364841,CHEMBL365243,CHEMBL365696,CHEMBL365829,CHEMBL365908,CHEMBL42027,CHEMBL425167,CHEMBL432522,CHEMBL433249,CHEMBL439934,CHEMBL495,CHEMBL548,CHEMBL589411,CHEMBL591034,CHEMBL593041,CHEMBL593260,CHEMBL593526,CHEMBL593764,CHEMBL594210,CHEMBL594365,CHEMBL594423,CHEMBL595157,CHEMBL595159,CHEMBL595632,CHEMBL595830,CHEMBL596499,CHEMBL596515,CHEMBL596745,CHEMBL596902,CHEMBL596903,CHEMBL596956,CHEMBL597146,CHEMBL597375,CHEMBL599154,CHEMBL59921,CHEMBL599355,CHEMBL599812,CHEMBL6,CHEMBL602337,CHEMBL603227,CHEMBL603625,CHEMBL603633,CHEMBL603653,CHEMBL604708,CHEMBL604897,CHEMBL60555,CHEMBL605833,CHEMBL60894,CHEMBL61925,CHEMBL62305,CHEMBL62779,CHEMBL62868,CHEMBL62885,CHEMBL62888,CHEMBL62987,CHEMBL63061,CHEMBL64072,CHEMBL64187,CHEMBL64188,CHEMBL64217,CHEMBL64246,CHEMBL64254,CHEMBL64338,CHEMBL64358,CHEMBL64423,CHEMBL64483,CHEMBL64542,CHEMBL64557,CHEMBL64598,CHEMBL64663,CHEMBL64804,CHEMBL64854}
@attribute ATS8s numeric
@attribute SRW09 numeric
@attribute SaaS numeric
@attribute NaaS numeric
@attribute ATS6s numeric
@attribute C.044 numeric
@attribute nThiazoles numeric
@attribute ATS8v numeric
@attribute ATSC8i numeric
@attribute Eig06_EA.ri. numeric
@attribute ATSC1i numeric
@attribute ATS8p numeric
@attribute D.Dtr05 numeric
@attribute GGI10 numeric
@attribute ATSC4i numeric
@attribute ATSC7i numeric
@attribute ON0V numeric
@attribute Eig06_AEA.ri. numeric
@attribute SpMax8_Bh.v. numeric
@attribute ON0 numeric
@attribute ATS8m numeric
@attribute nArCOOH numeric
@attribute ATSC5i numeric
@attribute CATS2D_02_AN numeric
@attribute S3K numeric
@attribute SpMax8_Bh.e. numeric
@attribute SpMax8_Bh.p. numeric
@attribute ATS6m numeric
@attribute ATS7v numeric
@attribute ATSC8p numeric
@attribute P_VSA_m_2 numeric
@attribute Se numeric
@attribute SpMin4_Bh.v. numeric
@attribute ATSC7p numeric
@attribute ATSC6i numeric
@attribute ATS5s numeric
@attribute ATS8e numeric
@attribute VvdwZAZ numeric
@attribute C.041 numeric
@attribute nROCON numeric
@attribute Eta_epsi numeric
@attribute ATS1i numeric
@attribute ATSC3i numeric
@attribute SRW07 numeric
@attribute Eig09_EA.ri. numeric
@attribute SpMax3_Bh.s. numeric
@attribute S1K numeric
@attribute CATS2D_08_LL numeric
@attribute ATS6v numeric
@attribute ATS6p numeric
@attribute HDcpx numeric
@attribute SpMax8_Bh.i. numeric
@attribute P_VSA_i_2 numeric
@attribute Si numeric
@attribute ATS7e numeric
@attribute ATS8i numeric
@attribute MATS3e numeric
@attribute ATS7s numeric
@attribute P_VSA_MR_7 numeric
@attribute X0 numeric
@attribute nC numeric
@attribute GGI1 numeric
@attribute pXC50 numeric

@data
{1 6.311,2 6.26,5 6.42,8 4.219,9 1.941,10 2.231,11 1.122,12 4.293,13 135.949,14 0.336,15 2.077,16 1.86,17 12.136,18 3.252,19 2.977,20 20.583,21 4.276,23 2.012,25 7.963,26 3.179,27 2.971,28 4.269,29 4.165,30 13.492,31 230.917,32 68.305,33 1.806,34 13.809,35 1.905,36 6.43,37 5.081,38 478.05,41 42.862,42 4.406,43 2.216,44 4.443,45 1.556,46 7.718,47 28.437,48 14,49 4.184,50 4.264,51 1.797,52 3.252,53 192.948,54 75.828,55 5.08,56 5.294,57 -0.032,58 6.207,59 22.47,60 27.83,61 28,62 9,63 5}
{0 CHEMBL1090938,1 6.297,5 6.395,8 4.225,9 1.934,10 2.289,11 1.084,12 4.32,14 0.318,15 2.213,16 1.876,17 12.902,18 3.295,19 3.116,20 20.917,21 4.246,23 2.003,25 7.782,26 3.276,27 3.123,28 4.229,29 4.179,30 14.772,31 218.258,32 69.869,33 1.835,34 14.719,35 1.921,36 6.403,37 5.085,38 490.65,41 42.662,42 4.416,43 2.287,45 1.618,46 7.718,47 28.538,48 17,49 4.183,50 4.279,51 1.795,52 3.327,53 198.729,54 77.662,55 5.095,56 5.294,57 0.003,58 6.206,59 5.807,60 27.993,61 30,62 10,63 5}
{0 CHEMBL1091741,1 6.326,2 6.26,5 6.409,8 4.249,9 1.976,10 2.289,11 1.091,12 4.323,13 138.263,14 0.311,15 2.153,16 1.92,17 12.102,18 3.295,19 3.125,20 20.917,21 4.301,23 2.044,25 7.375,26 3.284,27 3.13,28 4.288,29 4.212,30 14.413,31 244.352,32 69.203,33 1.806,34 14.789,35 1.917,36 6.418,37 5.096,38 490.41,41 43.562,42 4.417,43 2.304,44 4.443,45 1.618,46 7.718,47 28.476,48 18,49 4.217,50 4.294,51 1.808,52 3.332,53 209.507,54 76.33,55 5.087,56 5.304,57 -0.027,58 6.222,59 22.47,60 28.821,61 31,62 9.5,63 5}
{0 CHEMBL1091743,1 6.303,2 6.26,5 6.434,8 4.258,9 1.94,10 2.232,11 1.113,12 4.316,13 136.934,14 0.327,15 2.16,16 1.827,17 11.852,18 3.253,19 3.133,20 20.917,21 4.339,23 2.071,25 7.166,26 3.313,27 3.131,28 4.297,29 4.181,30 13.211,31 259.956,32 68.421,33 1.806,34 13.43,35 1.913,36 6.451,37 5.043,38 484.11,41 43.662,42 4.414,43 2.292,44 4.443,45 1.618,46 7.718,47 28.438,48 23,49 4.18,50 4.237,51 1.809,52 3.376,53 204.486,54 75.413,55 5.024,56 5.238,57 -0.038,58 6.218,59 22.47,60 28.821,61 30,62 9,63 5}
{0 CHEMBL1091744,1 6.406,2 6.26,5 6.503,8 4.307,9 2.133,10 2.312,11 1.234,12 4.387,13 147.464,14 0.315,15 2.339,16 2.125,17 13.219,18 3.365,19 3.222,20 21.917,21 4.355,23 2.281,25 8.488,26 3.397,27 3.227,28 4.385,29 4.305,30 16.073,31 230.055,32 76.4,33 1.874,34 16.851,35 2.174,36 6.505,37 5.245,38 526.38,41 47.629,42 4.524,43 2.493,44 4.443,45 1.683,46 7.718,47 30.835,48 13,49 4.342,50 4.43,51 1.82,52 3.449,53 192.086,54 84.868,55 5.242,56 5.472,57 -0.054,58 6.306,59 22.47,60 30.236,61 31,62 9.5,63 5}
{0 CHEMBL1092097,1 6.371,5 6.443,8 4.315,9 2.077,10 2.289,11 1.157,12 4.398,14 0.326,15 2.366,16 2.073,17 13.069,18 3.295,19 3.125,20 21.417,21 4.35,23 2.199,25 8.079,26 3.287,27 3.13,28 4.33,29 4.286,30 15.971,31 214.862,32 75.08,33 1.928,34 16.468,35 2.06,36 6.457,37 5.185,38 521.68,41 46.129,42 4.496,43 2.499,45 1.618,46 7.718,47 29.968,48 17,49 4.288,50 4.377,51 1.815,52 3.335,53 195.333,54 83.286,55 5.211,56 5.388,57 -0.014,58 6.294,59 5.807,60 29.529,61 32,62 9.5,63 5}
{0 CHEMBL1092431,1 6.438,5 6.457,8 4.366,9 2.093,10 2.295,11 1.074,12 4.432,14 0.404,15 2.285,16 2.08,17 13.152,18 3.315,19 3.135,20 23.25,21 4.42,23 2.151,25 8.455,26 3.303,27 3.134,28 4.356,29 4.337,30 16.387,31 294.823,32 74.312,33 1.971,34 16.563,35 2.026,36 6.502,37 5.181,38 549.48,41 47.029,42 4.468,43 2.388,45 1.928,46 7.718,47 31.665,48 22,49 4.308,50 4.384,51 1.832,52 3.342,53 247.359,54 81.456,55 5.178,56 5.373,57 -0.021,58 6.34,59 5.807,60 31.813,61 35,62 10.5,63 5}
{0 CHEMBL1092432,1 6.389,5 6.427,8 4.307,9 2.012,10 2.289,11 1.079,12 4.375,14 0.359,15 2.179,16 2.014,17 12.652,18 3.296,19 3.13,20 21.917,21 4.37,23 2.074,25 8.162,26 3.295,27 3.132,28 4.328,29 4.287,30 15.707,31 259.904,32 72.312,33 1.935,34 15.951,35 1.962,36 6.44,37 5.149,38 520.16,41 45.629,42 4.449,43 2.321,45 1.618,46 7.718,47 30.156,48 19,49 4.267,50 4.341,51 1.821,52 3.339,53 226.714,54 79.456,55 5.151,56 5.344,57 -0.007,58 6.296,59 22.593,60 30.236,61 33,62 9.5,63 5}
{0 CHEMBL1092976,1 6.271,2 6.26,5 6.392,8 4.118,9 1.709,10 2.231,11 1.036,12 4.168,13 132.226,14 0.31,15 1.846,16 1.686,17 11.102,18 3.252,19 2.952,20 19.75,21 4.225,23 1.799,25 7.962,26 3.111,27 2.949,28 4.239,29 4.081,30 12.153,31 224.369,32 64.647,33 1.806,34 12.994,35 1.742,36 6.365,37 4.978,38 458.54,41 41.629,42 4.342,43 2.039,44 4.443,45 1.522,46 7.718,47 27.463,48 14,49 4.115,50 4.174,51 1.79,52 3.151,53 189.525,54 71.124,55 5.007,56 5.174,57 -0.047,58 6.177,59 22.47,60 26.96,61 27,62 8.5,63 5}
{0 CHEMBL1093820,1 6.266,2 6.26,5 6.353,8 4.163,9 1.821,10 2.231,11 1.024,12 4.24,13 128.026,14 0.274,15 1.894,16 1.732,17 10.936,18 3.252,19 2.953,20 19.25,21 4.221,23 1.803,25 7.482,26 3.108,27 2.951,28 4.214,29 4.121,30 13.051,31 220.254,32 63.32,33 1.806,34 13.093,35 1.723,36 6.353,37 5.005,38 449.75,41 40.162,42 4.323,43 2.077,44 4.443,45 1.525,46 7.718,47 26.528,48 16,49 4.115,50 4.183,51 1.784,52 3.15,53 185.409,54 69.914,55 4.979,56 5.21,57 -0.036,58 6.143,59 22.47,60 26.253,61 27,62 8.5,63 5}
{0 CHEMBL1094155,1 6.344,5 6.434,8 4.417,9 2.353,10 2.223,11 0.965,12 4.547,14 0.334,15 2.139,16 2.294,17 13.593,18 3.233,19 3.055,20 20,21 4.228,23 2.11,25 8.479,26 3.235,27 3.045,28 4.314,29 4.436,30 18.963,31 199.362,32 69.945,33 1.909,34 19.039,35 2.292,36 6.266,37 5.33,38 480.97,41 39.981,42 4.417,43 1.999,45 1.879,46 7.429,47 27.419,48 29,49 4.416,50 4.515,51 1.782,52 3.268,53 181.352,54 78.734,55 5.354,56 5.547,57 -0.089,58 6.503,60 26.242,61 30,62 9.5,63 5}
{0 CHEMBL1094156,1 6.305,5 6.411,8 4.43,9 2.205,10 2.223,11 0.885,12 4.573,14 0.334,15 2.06,16 2.223,17 13.593,18 3.233,19 3.057,20 20,21 4.271,23 2.043,25 8.669,26 3.234,27 3.048,28 4.335,29 4.447,30 19.334,31 193.742,32 69.756,33 1.909,34 19.369,35 2.208,36 6.248,37 5.327,38 490.11,41 39.552,42 4.412,43 1.833,45 1.879,46 6.351,47 27.764,48 31,49 4.424,50 4.532,51 1.782,52 3.267,53 175.731,54 78.338,55 5.352,56 5.54,57 -0.092,58 6.479,59 39.149,60 26.242,61 30,62 9.5,63 5}
{0 CHEMBL1094157,1 6.307,5 6.421,8 4.449,9 2.343,10 2.223,11 0.936,12 4.596,14 0.334,15 2.189,16 2.305,17 14.45,18 3.233,19 3.056,20 20,21 4.217,23 2.172,25 8.227,26 3.232,27 3.048,28 4.319,29 4.467,30 19.952,31 202.252,32 72.316,33 1.909,34 19.634,35 2.323,36 6.273,37 5.374,38 492.2,41 39.767,42 4.453,43 1.934,45 1.879,46 6.351,47 27.483,48 31,49 4.443,50 4.555,51 1.782,52 3.268,53 184.241,54 81.81,55 5.377,56 5.6,57 -0.063,58 6.488,60 26.242,61 31,62 9,63 5}
{0 CHEMBL1094160,1 6.369,5 6.452,8 4.425,9 2.399,10 2.224,11 1.038,12 4.546,14 0.396,15 2.363,16 2.425,17 13.652,18 3.234,19 3.056,20 20.833,21 4.269,23 2.175,25 8.399,26 3.237,27 3.045,28 4.35,29 4.446,30 18.983,31 199.007,32 70.458,33 1.909,34 19.116,35 2.299,36 6.338,37 5.333,38 487.04,41 41.495,42 4.421,43 2.141,45 1.887,46 7.474,47 28.339,48 27,49 4.423,50 4.514,51 1.788,52 3.27,53 180.996,54 79.074,55 5.366,56 5.548,57 -0.016,58 6.556,60 27.112,61 30,62 10,63 5}
{0 CHEMBL1094161,1 6.39,5 6.475,8 4.427,9 2.452,10 2.223,11 1.038,12 4.545,14 0.351,15 2.248,16 2.416,17 13.652,18 3.233,19 3.055,20 20.833,21 4.273,23 2.334,25 8.399,26 3.235,27 3.045,28 4.353,29 4.448,30 19.017,31 199.007,32 70.458,33 1.909,34 19.104,35 2.352,36 6.408,37 5.337,38 487.04,41 41.495,42 4.421,43 2.141,45 1.879,46 7.474,47 28.339,48 28,49 4.425,50 4.513,51 1.788,52 3.269,53 180.996,54 79.074,55 5.364,56 5.551,57 -0.016,58 6.559,60 27.112,61 30,62 10,63 5}
{0 CHEMBL1094419,1 6.275,5 6.394,8 4.405,9 2.226,10 2.221,11 0.896,12 4.548,14 0.318,15 2.071,16 2.232,17 13.533,18 3.229,19 3.055,20 19.167,21 4.18,23 2.053,25 8.257,26 3.232,27 3.046,28 4.29,29 4.427,30 18.892,31 199.718,32 69.432,33 1.909,34 19.007,35 2.22,36 6.235,37 5.32,38 474.9,41 38.467,42 4.413,43 1.857,45 1.879,46 6.351,47 26.5,48 30,49 4.409,50 4.516,51 1.775,52 3.267,53 181.707,54 78.394,55 5.349,56 5.541,57 -0.076,58 6.463,60 25.372,61 30,62 8.5,63 5}
{0 CHEMBL1094464,1 6.293,5 6.412,8 4.428,9 2.21,10 2.223,11 0.885,12 4.57,14 0.334,15 2.053,16 2.213,17 13.593,18 3.233,19 3.055,20 20,21 4.267,23 2.034,25 8.379,26 3.232,27 3.046,28 4.366,29 4.452,30 19.252,31 193.742,32 69.756,33 1.909,34 19.532,35 2.211,36 6.26,37 5.325,38 490.11,41 39.552,42 4.412,43 1.833,45 1.879,46 6.351,47 27.764,48 30,49 4.429,50 4.534,51 1.782,52 3.267,53 175.731,54 78.338,55 5.355,56 5.54,57 -0.009,58 6.488,59 39.149,60 26.242,61 30,62 9,63 5}
{0 CHEMBL1094470,1 6.331,5 6.449,8 4.466,9 2.334,10 2.223,11 0.949,12 4.602,14 0.334,15 2.173,16 2.35,17 14.617,18 3.233,19 3.055,20 20.5,21 4.258,23 2.206,25 8.447,26 3.249,27 3.046,28 4.347,29 4.48,30 19.78,31 206.368,32 73.643,33 1.909,34 20.018,35 2.362,36 6.323,37 5.371,38 500.99,41 41.233,42 4.47,43 1.919,45 1.879,46 6.351,47 28.429,48 29,49 4.464,50 4.574,51 1.788,52 3.315,53 188.357,54 83.019,55 5.415,56 5.586,57 0.003,58 6.516,60 26.949,61 31,62 9,63 5}
{0 CHEMBL1094789,1 6.297,5 6.413,8 4.423,9 2.278,10 2.224,11 0.952,12 4.562,14 0.38,15 2.128,16 2.255,17 14.317,18 3.234,19 3.087,20 20,21 4.214,23 2.115,25 8.479,26 3.266,27 3.082,28 4.31,29 4.436,30 18.985,31 208.704,32 71.534,33 1.909,34 18.714,35 2.213,36 6.264,37 5.345,38 485.9,41 39.867,42 4.446,43 1.922,45 1.897,46 6.351,47 27.419,48 28,49 4.414,50 4.513,51 1.781,52 3.318,53 173.908,54 80.893,55 5.358,56 5.57,57 -0.066,58 6.476,59 16.786,60 26.242,61 30,62 9.5,63 5}
{0 CHEMBL1094790,1 6.305,5 6.34,8 4.352,9 2.096,10 2.107,11 0.856,12 4.487,14 0.289,15 1.963,16 2.121,17 13.033,18 3.132,19 2.981,20 18.667,21 4.157,23 1.964,25 7.729,26 3.137,27 2.97,28 4.263,29 4.384,30 17.422,31 197.183,32 66.549,33 1.909,34 17.796,35 2.15,36 6.245,37 5.263,38 457.6,41 37.167,42 4.37,43 1.774,45 1.879,46 6.351,47 25.518,48 25,49 4.383,50 4.485,51 1.769,52 3.171,53 179.172,54 74.979,55 5.3,56 5.472,57 -0.102,58 6.464,60 24.665,61 29,62 8.5,63 5}
{0 CHEMBL1094813,1 6.337,5 6.446,8 4.488,9 2.418,10 2.224,11 0.975,12 4.636,14 0.351,15 2.302,16 2.454,17 15.367,18 3.234,19 3.101,20 20.833,21 4.253,23 2.255,25 8.468,26 3.266,27 3.125,28 4.343,29 4.505,30 20.597,31 204.787,32 75.199,33 1.909,34 21.022,35 2.401,36 6.31,37 5.4,38 509.5,41 41.067,42 4.492,43 2.012,45 1.907,46 6.351,47 28.467,48 33,49 4.481,50 4.597,51 1.788,52 3.35,53 186.776,54 85.225,55 5.449,56 5.623,57 -0.067,58 6.521,60 27.112,61 32,62 10,63 5}
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