@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL2623

@attribute molecule_id {CHEMBL100889,CHEMBL101403,CHEMBL101489,CHEMBL101517,CHEMBL101922,CHEMBL102026,CHEMBL102041,CHEMBL161638,CHEMBL1812847,CHEMBL1812848,CHEMBL1812849,CHEMBL1812850,CHEMBL1812851,CHEMBL1812852,CHEMBL1812853,CHEMBL1812854,CHEMBL1812855,CHEMBL1812856,CHEMBL1812857,CHEMBL1812858,CHEMBL1812859,CHEMBL1812860,CHEMBL1812861,CHEMBL1812862,CHEMBL1812863,CHEMBL1812864,CHEMBL189727,CHEMBL189886,CHEMBL189988,CHEMBL190496,CHEMBL190613,CHEMBL190677,CHEMBL191513,CHEMBL191625,CHEMBL191676,CHEMBL191688,CHEMBL191739,CHEMBL191796,CHEMBL191800,CHEMBL191822,CHEMBL191847,CHEMBL192039,CHEMBL192139,CHEMBL192180,CHEMBL192241,CHEMBL192252,CHEMBL192258,CHEMBL192410,CHEMBL192474,CHEMBL192589,CHEMBL192595,CHEMBL192625,CHEMBL192627,CHEMBL192648,CHEMBL192657,CHEMBL192712,CHEMBL192809,CHEMBL193140,CHEMBL193180,CHEMBL193228,CHEMBL193229,CHEMBL195713,CHEMBL235287,CHEMBL284028,CHEMBL316724,CHEMBL317863,CHEMBL318825,CHEMBL362996,CHEMBL363186,CHEMBL363855,CHEMBL363919,CHEMBL364588,CHEMBL364729,CHEMBL364734,CHEMBL365129,CHEMBL365161,CHEMBL365392,CHEMBL365517,CHEMBL365809,CHEMBL365982,CHEMBL366205,CHEMBL370059,CHEMBL370299,CHEMBL371371,CHEMBL371523,CHEMBL371858,CHEMBL372856,CHEMBL420641,CHEMBL420829,CHEMBL425192,CHEMBL431235,CHEMBL435109,CHEMBL503,CHEMBL8320,CHEMBL90039,CHEMBL97974,CHEMBL98377,CHEMBL98482,CHEMBL98600,CHEMBL98602,CHEMBL98640,CHEMBL98953,CHEMBL99059,CHEMBL99162,CHEMBL99164}
@attribute P_VSA_s_3 numeric
@attribute ALOGP numeric
@attribute ALOGP2 numeric
@attribute TIE numeric
@attribute SPI numeric
@attribute Eta_C numeric
@attribute ATS3s numeric
@attribute ATSC8s numeric
@attribute SpDiam_AEA.bo. numeric
@attribute SdO numeric
@attribute ATSC8m numeric
@attribute ATSC8e numeric
@attribute GGI8 numeric
@attribute BLTA96 numeric
@attribute BLTD48 numeric
@attribute BLTF96 numeric
@attribute MLOGP numeric
@attribute MLOGP2 numeric
@attribute SpMax4_Bh.m. numeric
@attribute Eig01_AEA.bo. numeric
@attribute SpMax_AEA.bo. numeric
@attribute SpMax5_Bh.m. numeric
@attribute Eig01_AEA.ri. numeric
@attribute SpMax_AEA.ri. numeric
@attribute ON0 numeric
@attribute Eig05_AEA.dm. numeric
@attribute ATS4s numeric
@attribute ATS8e numeric
@attribute ATS8i numeric
@attribute ATS7m numeric
@attribute Eig01_EA.ri. numeric
@attribute SM08_EA.ri. numeric
@attribute SM09_EA.ri. numeric
@attribute SM10_EA.ri. numeric
@attribute SM11_EA.ri. numeric
@attribute SM12_EA.ri. numeric
@attribute SM13_EA.ri. numeric
@attribute SM14_EA.ri. numeric
@attribute SM15_EA.ri. numeric
@attribute SpDiam_EA.ri. numeric
@attribute SpMax_EA.ri. numeric
@attribute SpMax3_Bh.v. numeric
@attribute S1K numeric
@attribute SpMax4_Bh.s. numeric
@attribute SpMax4_Bh.p. numeric
@attribute SpMaxA_EA.dm. numeric
@attribute VvdwZAZ numeric
@attribute Eig01_EA.bo. numeric
@attribute SM11_AEA.ri. numeric
@attribute SM15_EA.bo. numeric
@attribute SpMax_EA.bo. numeric
@attribute Eig06_AEA.dm. numeric
@attribute ATSC7e numeric
@attribute ATS7v numeric
@attribute Eig03_AEA.dm. numeric
@attribute DELS numeric
@attribute CATS2D_04_LL numeric
@attribute SpDiam_AEA.ri. numeric
@attribute SpMax5_Bh.s. numeric
@attribute Uindex numeric
@attribute pXC50 numeric

@data
{1 44.311,2 7.426,3 55.15,4 116.676,5 18.578,6 35.152,7 5.95,8 58.417,9 5.427,10 24.671,11 35.082,12 0.332,13 0.201,14 -7.1,15 -6.89,16 -6.38,17 5.868,18 34.432,19 3.428,20 4.458,21 4.458,22 3.415,23 4.135,24 4.135,25 16.333,26 1.911,27 6.083,28 5.117,29 5.447,30 3.629,31 3.111,32 9.541,33 10.487,34 11.644,35 12.683,36 13.812,37 14.895,38 16.017,39 17.123,40 5.111,41 3.111,42 3.572,43 24.57,44 4.234,45 3.478,46 0.083,47 433.18,48 4.086,49 4.086,50 21.121,51 4.086,52 1.867,53 0.427,54 3.983,55 3.255,56 24.26,57 20,58 5.144,59 4.19,60 87.356,61 7.222}
{0 CHEMBL101403,1 41.3,2 7.064,3 49.904,4 95.558,5 18.726,6 37.002,7 6.015,8 73.449,9 5.464,10 25.481,11 43.35,12 0.48,13 0.324,14 -6.71,15 -6.53,16 -6.05,17 5.48,18 30.031,19 3.428,20 4.464,21 4.464,22 3.379,23 4.152,24 4.152,25 16.5,26 2.63,27 6.253,28 5.259,29 5.552,30 3.908,31 3.126,32 9.806,33 10.787,34 11.941,35 12.998,36 14.125,37 15.216,38 16.337,39 17.444,40 5.126,41 3.126,42 3.591,43 23.769,44 4.483,45 3.478,46 0.084,47 429.61,48 4.088,49 4.088,50 21.165,51 4.088,52 1.896,53 0.507,54 4.144,55 3.272,56 30.047,57 19,58 5.242,59 4.192,60 65.738,61 6.469}
{0 CHEMBL101489,1 53.67,2 6.324,3 39.997,4 151.253,5 20.995,6 37.701,7 6.107,8 66.931,9 5.583,10 25.722,11 44.512,12 0.447,13 0.3,14 -5.53,15 -5.41,16 -5.05,17 4.304,18 18.528,19 3.469,20 4.609,21 4.609,22 3.287,23 4.497,24 4.497,25 18.25,26 2.555,27 6.35,28 5.287,29 5.586,30 3.94,31 3.521,32 10.331,33 11.496,34 12.746,35 13.962,36 15.207,37 16.443,38 17.69,39 18.936,40 5.521,41 3.521,42 3.639,43 27.45,44 4.58,45 3.509,46 0.075,47 459.55,48 4.117,49 4.117,50 21.45,51 4.117,52 2.258,53 0.922,54 4.152,55 3.253,56 35.521,57 10,58 5.515,59 4.58,60 103.541,61 6.432}
{0 CHEMBL101517,1 44.311,2 6.201,3 38.447,4 130.067,5 19.114,6 35.925,7 5.999,8 66.001,9 5.43,10 24.687,11 36.815,12 0.39,13 0.201,14 -5.38,15 -5.26,16 -4.92,17 4.148,18 17.206,19 3.431,20 4.458,21 4.458,22 3.428,23 4.135,24 4.135,25 16.833,26 1.96,27 6.126,28 5.14,29 5.464,30 3.669,31 3.111,32 9.545,33 10.487,34 11.645,35 12.683,36 13.812,37 14.895,38 16.018,39 17.123,40 5.111,41 3.111,42 3.574,43 25.53,44 4.738,45 3.478,46 0.08,47 441.97,48 4.086,49 4.086,50 21.121,51 4.086,52 1.867,53 0.489,54 4.003,55 3.255,56 29.173,57 19,58 5.145,59 4.2,60 92.793,61 6.638}
{0 CHEMBL101922,1 27.872,2 6.304,3 39.735,4 78.327,5 17.586,6 30.036,7 5.99,8 77.641,9 5.397,10 26.329,11 37.681,12 0.362,13 0.378,14 -6.33,15 -6.16,16 -5.72,17 5.098,18 25.988,19 3.552,20 4.459,21 4.459,22 3.428,23 4.15,24 4.15,25 16.833,26 2.779,27 6.185,28 5.068,29 5.379,30 3.895,31 3.158,32 10.072,33 11.067,34 12.246,35 13.32,36 14.471,37 15.581,38 16.723,39 17.85,40 5.158,41 3.158,42 3.743,43 22.655,44 4.731,45 3.478,46 0.074,47 422.72,48 4.086,49 4.086,50 21.426,51 4.086,52 2.361,53 0.508,54 4.132,55 3.28,56 26.951,57 27,58 5.162,59 4.688,60 57.863,61 7.456}
{0 CHEMBL102026,1 51.915,2 8.795,3 77.35,4 139.842,5 20.172,6 40.993,7 6.041,8 59.087,9 5.436,10 24.823,11 39.637,12 0.348,13 0.201,14 -7.7,15 -7.47,16 -6.89,17 6.472,18 41.883,19 3.495,20 4.458,21 4.458,22 3.428,23 4.135,24 4.135,25 17.833,26 1.946,27 6.163,28 5.256,29 5.587,30 3.732,31 3.111,32 9.556,33 10.487,34 11.651,35 12.683,36 13.815,37 14.895,38 16.018,39 17.123,40 5.111,41 3.111,42 3.61,43 27.566,44 4.25,45 3.506,46 0.075,47 485.08,48 4.086,49 4.086,50 21.121,51 4.086,52 1.867,53 0.442,54 4.105,55 3.255,56 24.703,57 23,58 5.145,59 4.19,60 104.07,61 8.222}
{0 CHEMBL102041,1 49.38,2 8.339,3 69.534,4 131.897,5 19.645,6 39.029,7 6.011,8 58.839,9 5.433,10 24.779,11 38.12,12 0.343,13 0.201,14 -7.5,15 -7.28,16 -6.72,17 6.273,18 39.356,19 3.472,20 4.458,21 4.458,22 3.428,23 4.135,24 4.135,25 17.333,26 1.937,27 6.137,28 5.212,29 5.542,30 3.699,31 3.111,32 9.551,33 10.487,34 11.648,35 12.683,36 13.814,37 14.895,38 16.018,39 17.123,40 5.111,41 3.111,42 3.6,43 26.568,44 4.245,45 3.481,46 0.078,47 467.78,48 4.086,49 4.086,50 21.121,51 4.086,52 1.867,53 0.437,54 4.066,55 3.255,56 24.575,57 22,58 5.145,59 4.19,60 98.365,61 7.959}
{0 CHEMBL161638,1 54.147,2 9.848,3 96.981,4 138.005,5 22.196,6 47.276,7 6.181,8 82.302,9 5.451,10 26.784,11 56.709,12 0.514,13 0.407,14 -8.42,15 -8.15,16 -7.5,17 7.188,18 51.664,19 3.557,20 4.472,21 4.472,22 3.476,23 4.173,24 4.173,25 20.5,26 2.663,27 6.419,28 5.523,29 5.797,30 4.234,31 3.152,32 9.952,33 10.935,34 12.114,35 13.183,36 14.33,37 15.435,38 16.572,39 17.693,40 5.152,41 3.152,42 3.682,43 30.935,44 4.719,45 3.564,46 0.07,47 549.19,48 4.089,49 4.089,50 21.319,51 4.089,52 2.026,53 0.589,54 4.466,55 3.274,56 32.793,57 22,58 5.227,59 4.436,60 97.809,61 7.699}
{0 CHEMBL1812847,1 14.923,2 1.881,3 3.538,4 29.146,5 6.723,6 8.629,7 5.554,8 15.581,9 5.029,10 23.187,11 6.544,12 0.091,13 0.009,14 -3.29,15 -3.28,16 -3.14,17 2.061,18 4.246,19 2.956,20 4.139,21 4.139,22 2.692,23 3.82,24 3.82,25 9.333,26 1.519,27 5.3,28 3.479,29 3.683,30 2.768,31 2.807,32 8.81,33 9.576,34 10.715,35 11.595,36 12.67,37 13.612,38 14.657,39 15.635,40 4.807,41 2.807,42 3.363,43 12.179,44 4.755,45 2.833,46 0.056,47 222.7,48 3.568,49 3.568,50 19.561,51 3.568,52 1.519,53 0.203,54 2.821,55 2.539,56 18.418,58 4.833,59 3.961,60 31.104,61 4}
{0 CHEMBL1812848,1 74.538,2 4.292,3 18.421,4 32.669,5 6.723,6 10.408,7 5.359,8 11.257,9 5.029,10 23.419,11 5.425,12 0.058,13 0.009,14 -4.12,15 -4.07,16 -3.85,17 2.892,18 8.365,19 3.341,20 4.139,21 4.139,22 2.774,23 3.745,24 3.745,25 9.333,26 1.851,27 5.086,28 3.289,29 3.422,30 2.949,31 2.568,32 8.287,33 8.856,34 10.013,35 10.709,36 11.777,37 12.555,38 13.568,39 14.399,40 4.568,41 2.568,42 3.367,43 12.938,44 4.728,45 2.947,46 0.209,47 237.72,48 3.568,49 3.568,50 19.561,51 3.568,52 1.833,53 0.155,54 2.819,55 3.576,56 18.838,57 2,58 4.898,59 3.677,60 31.104,61 4}
{0 CHEMBL1812849,1 24.87,2 3.176,3 10.084,4 27.358,5 6.723,6 8.425,7 5.579,8 15.766,9 5.029,10 22.84,11 4.474,12 0.134,13 0.009,14 -4.1,15 -4.05,16 -3.83,17 2.873,18 8.252,19 2.894,20 4.139,21 4.139,22 2.687,23 3.782,24 3.782,25 9.333,26 1.588,27 5.197,28 3.307,29 3.445,30 2.77,31 2.689,32 8.545,33 9.225,34 10.361,35 11.161,36 12.222,37 13.092,38 14.113,39 15.027,40 4.689,41 2.689,42 3.311,43 12.179,44 4.808,45 2.754,46 0.088,47 218.28,48 3.568,49 3.568,50 19.561,51 3.568,52 1.587,53 0.303,54 2.729,55 2.673,56 23.02,58 4.864,59 4.227,60 31.104,61 4}
{0 CHEMBL1812850,1 21.707,2 2.89,3 8.354,4 34.848,5 6.723,6 10.197,7 5.535,8 16.676,9 5.029,10 23.535,11 8.17,12 0.063,13 0.009,14 -4.09,15 -4.04,16 -3.82,17 2.862,18 8.19,19 3.024,20 4.139,21 4.139,22 2.71,23 3.859,24 3.859,25 9.333,26 1.561,27 5.375,28 3.626,29 3.857,30 2.767,31 2.925,32 9.08,33 9.912,34 11.071,35 12.013,36 13.115,37 14.114,38 15.192,39 16.222,40 4.925,41 2.925,42 3.452,43 12.254,44 4.734,45 3.028,46 0.076,47 235.3,48 3.568,49 3.568,50 19.561,51 3.568,52 1.56,53 0.137,54 2.937,55 2.617,56 19.069,57 4,58 4.859,59 3.784,60 31.104,61 4}
{0 CHEMBL1812851,1 16.638,2 4.498,3 20.228,4 47.22,5 10.079,6 17.856,7 5.68,8 18.548,9 5.259,10 24.464,11 26.257,12 0.119,13 0.049,14 -4.8,15 -4.72,16 -4.43,17 3.575,18 12.78,19 3.784,20 4.357,21 4.357,22 3.47,23 4.089,24 4.089,25 11,26 1.949,27 5.574,28 3.66,29 3.834,30 3.793,31 3.004,32 9.257,33 10.151,34 11.31,35 12.301,36 13.415,37 14.455,38 15.552,39 16.617,40 5.004,41 3.004,42 3.48,43 15.148,44 4.736,45 3.165,46 0.1,47 273.86,48 3.742,49 3.742,50 20.178,51 3.742,52 1.936,53 0.212,54 3.18,55 2.905,56 23.134,57 4,58 5.089,59 3.915,60 36.342,61 7.688}
{0 CHEMBL1812852,1 19.173,2 3.694,3 13.646,4 40.816,5 8.473,6 13.81,7 5.61,8 17.775,9 5.177,10 23.999,11 16.211,12 0.084,13 0.029,14 -4.45,15 -4.38,16 -4.13,17 3.224,18 10.397,19 3.508,20 4.281,21 4.281,22 2.939,23 4.007,24 4.007,25 10.167,26 1.943,27 5.481,28 3.643,29 3.846,30 3.406,31 2.969,32 9.172,33 10.039,34 11.197,35 12.166,36 13.275,37 14.297,38 15.386,39 16.436,40 4.969,41 2.969,42 3.467,43 13.699,44 4.735,45 3.094,46 0.105,47 254.58,48 3.682,49 3.682,50 19.911,51 3.682,52 1.561,53 0.164,54 3.066,55 2.732,56 21.088,57 5,58 5.007,59 3.89,60 33.676,61 5.434}
{0 CHEMBL1812853,1 15.336,2 0.826,3 0.682,4 20.087,5 5.165,6 5.179,7 5.103,9 4.761,10 20.787,14 -1.68,15 -1.75,16 -1.78,17 0.454,18 0.206,19 2.377,20 4.022,21 4.022,22 1.698,23 3.743,24 3.743,25 5.667,26 -0.353,27 4.796,30 0.062,31 2.828,32 8.354,33 9.34,34 10.408,35 11.429,36 12.479,37 13.512,38 14.555,39 15.592,40 4.588,41 2.828,42 2.75,43 7.351,44 3.949,45 2.198,46 0.182,47 124.66,48 3.323,49 3.323,50 18.014,51 3.323,52 -0.832,53 0.035,54 0.485,55 1.012,56 13.573,57 2,58 4.488,59 2.924,60 18.275,61 4}
{0 CHEMBL1812854,1 20.405,2 1.738,3 3.022,4 32.38,5 6.416,6 7.825,7 5.216,8 7.463,9 4.883,10 21.567,11 3.255,12 0.034,14 -2.37,15 -2.4,16 -2.36,17 1.141,18 1.301,19 2.665,20 4.033,21 4.033,22 2.206,23 3.761,24 3.761,25 6.667,26 0.304,27 5.023,28 2.85,29 3.248,30 1.083,31 2.844,32 8.426,33 9.384,34 10.478,35 11.489,36 12.553,37 13.585,38 14.638,39 15.678,40 4.698,41 2.844,42 3.064,43 9.351,44 4.065,45 2.644,46 0.142,47 159.26,48 3.332,49 3.332,50 18.054,51 3.332,52 0.12,53 0.046,54 1.748,55 1.353,56 15.134,57 2,58 4.611,59 3.38,60 26.955,61 4.75}
{0 CHEMBL1812855,1 25.474,2 2.651,3 7.027,4 46.247,5 7.572,6 10.698,7 5.34,8 9.185,9 4.937,10 22.116,11 6.444,12 0.049,13 0.025,14 -2.99,15 -2.99,16 -2.89,17 1.761,18 3.102,19 2.902,20 4.035,21 4.035,22 2.57,23 3.764,24 3.764,25 7.667,26 0.716,27 5.145,28 3.524,29 3.893,30 1.836,31 2.847,32 8.461,33 9.387,34 10.499,35 11.496,36 12.57,37 13.596,38 14.654,39 15.691,40 4.751,41 2.847,42 3.249,43 11.351,44 4.121,45 2.933,46 0.116,47 193.86,48 3.333,49 3.333,50 18.058,51 3.333,52 0.657,53 0.128,54 2.371,55 1.565,56 16.304,57 2,58 4.667,59 3.637,60 37.065,61 6.025}
{0 CHEMBL1812856,1 30.543,2 3.563,3 12.696,4 61.752,5 8.654,6 13.758,7 5.451,8 23.607,9 4.967,10 22.525,11 9.842,12 0.128,13 0.025,14 -3.56,15 -3.54,16 -3.37,17 2.334,18 5.446,19 3.077,20 4.035,21 4.035,22 2.825,23 3.764,24 3.764,25 8.667,26 1.007,27 5.277,28 3.859,29 4.154,30 2.461,31 2.847,32 8.49,33 9.387,34 10.514,35 11.497,36 12.578,37 13.597,38 14.659,39 15.693,40 4.78,41 2.847,42 3.366,43 13.351,44 4.154,45 3.123,46 0.098,47 228.46,48 3.333,49 3.333,50 18.059,51 3.333,52 0.992,53 0.19,54 2.769,55 1.694,56 17.413,57 4,58 4.697,59 3.795,60 48.52,61 7.413}
{0 CHEMBL1812857,1 35.612,2 4.476,3 20.031,4 78.98,5 9.675,6 16.974,7 5.551,8 36.846,9 4.985,10 22.841,11 13.374,12 0.191,13 0.025,14 -4.1,15 -4.05,16 -3.83,17 2.869,18 8.232,19 3.202,20 4.035,21 4.035,22 3.006,23 3.765,24 3.765,25 9.667,26 1.222,27 5.395,28 4.108,29 4.366,30 2.808,31 2.847,32 8.518,33 9.387,34 10.527,35 11.497,36 12.584,37 13.597,38 14.662,39 15.693,40 4.798,41 2.847,42 3.444,43 15.351,44 4.174,45 3.253,46 0.085,47 263.06,48 3.333,49 3.333,50 18.059,51 3.333,52 1.22,53 0.191,54 3.039,55 1.775,56 18.24,57 6,58 4.715,59 3.899,60 61.265,61 7.821}
{0 CHEMBL1812858,1 40.681,2 5.388,3 29.031,4 97.936,5 10.647,6 20.325,7 5.642,8 33.821,9 4.997,10 23.092,11 16.595,12 0.195,13 0.074,14 -5.52,15 -5.39,16 -5.03,17 4.287,18 18.375,19 3.293,20 4.035,21 4.035,22 3.137,23 3.765,24 3.765,25 10.667,26 1.382,27 5.501,28 4.349,29 4.631,30 2.961,31 2.847,32 8.546,33 9.387,34 10.541,35 11.497,36 12.591,37 13.597,38 14.665,39 15.693,40 4.809,41 2.847,42 3.498,43 17.351,44 4.187,45 3.346,46 0.075,47 297.66,48 3.333,49 3.333,50 18.059,51 3.333,52 1.382,53 0.203,54 3.24,55 1.829,56 18.88,57 8,58 4.726,59 3.97,60 75.261,61 8.187}
{0 CHEMBL1812859,1 45.75,2 6.3,3 39.695,4 118.64,5 11.577,6 23.795,7 5.725,8 29.695,9 5.005,10 23.297,11 19.718,12 0.208,13 0.123,14 -6,15 -5.85,16 -5.44,17 4.767,18 22.728,19 3.36,20 4.035,21 4.035,22 3.235,23 3.765,24 3.765,25 11.667,26 1.502,27 5.596,28 4.544,29 4.836,30 3.093,31 2.847,32 8.573,33 9.387,34 10.554,35 11.497,36 12.597,37 13.597,38 14.668,39 15.693,40 4.817,41 2.847,42 3.537,43 19.351,44 4.197,45 3.413,46 0.067,47 332.26,48 3.333,49 3.333,50 18.059,51 3.333,52 1.501,53 0.216,54 3.408,55 1.866,56 19.39,57 10,58 4.734,59 4.021,60 90.477,61 8.046}
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{0 CHEMBL90039,1 11.505,2 3.234,3 10.46,4 17.009,5 3.814,6 6.152,7 5.073,8 6.063,9 5.053,10 11.846,11 4.151,12 0.022,14 -4.82,15 -4.73,16 -4.44,17 3.587,18 12.867,19 2.687,20 4.317,21 4.317,22 2.687,23 3.984,24 3.984,25 7,26 1.317,27 5.086,28 2.811,29 3.15,30 1.857,31 3.023,32 9.048,33 9.974,34 11.163,35 12.187,36 13.326,37 14.395,38 15.514,39 16.603,40 5.023,41 3.023,42 3.078,43 8.704,44 3.674,45 2.735,47 177.25,48 3.884,49 3.884,50 20.396,51 3.884,52 1,53 0.027,54 2.279,55 2.099,56 9.693,57 8,58 4.984,59 3.674,60 21.293,61 4}
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{0 CHEMBL98602,1 54.021,2 9.154,3 83.799,4 130.954,5 21.656,6 50.081,7 6.202,8 69.393,9 5.452,10 26.263,11 54.672,12 0.46,13 0.328,14 -7.49,15 -7.26,16 -6.71,17 6.256,18 39.142,19 3.526,20 4.464,21 4.464,22 3.428,23 4.152,24 4.152,25 19.5,26 2.508,27 6.418,28 5.539,29 5.848,30 4.088,31 3.128,32 9.867,33 10.828,34 11.991,35 13.039,36 14.171,37 15.259,38 16.381,39 17.487,40 5.128,41 3.128,42 3.662,43 29.722,44 4.313,45 3.56,46 0.06,47 535.62,48 4.088,49 4.088,50 21.163,51 4.088,52 1.932,53 0.514,54 4.393,55 3.259,56 29.433,57 25,58 5.188,59 4.219,60 89.82,61 7.658}
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{0 CHEMBL98953,1 61.1,2 7.336,3 53.821,4 123.939,5 20.157,6 45.966,7 6.173,8 65.642,9 5.458,10 24.946,11 45.699,12 0.473,13 0.209,14 -5.6,15 -5.47,16 -5.1,17 4.366,18 19.066,19 3.576,20 4.458,21 4.458,22 3.428,23 4.135,24 4.135,25 19.167,26 2.779,27 6.267,28 5.35,29 5.671,30 3.859,31 3.111,32 9.655,33 10.562,34 11.722,35 12.737,36 13.864,37 14.933,38 16.051,39 17.148,40 5.111,41 3.111,42 3.631,43 29.683,44 4.731,45 3.571,46 0.065,47 524.9,48 4.086,49 4.086,50 21.122,51 4.086,52 2.065,53 0.572,54 4.2,55 3.255,56 33.09,57 20,58 5.174,59 4.281,60 90.305,61 7.244}
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