@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL4033

@attribute molecule_id {CHEMBL101,CHEMBL118,CHEMBL173770,CHEMBL174219,CHEMBL174586,CHEMBL174724,CHEMBL174860,CHEMBL174982,CHEMBL175340,CHEMBL175485,CHEMBL175826,CHEMBL176265,CHEMBL176387,CHEMBL176642,CHEMBL176677,CHEMBL176934,CHEMBL176983,CHEMBL177244,CHEMBL177397,CHEMBL177649,CHEMBL197705,CHEMBL197869,CHEMBL198024,CHEMBL198189,CHEMBL199337,CHEMBL199344,CHEMBL199346,CHEMBL199431,CHEMBL199681,CHEMBL199682,CHEMBL199901,CHEMBL199991,CHEMBL199992,CHEMBL200152,CHEMBL200406,CHEMBL200518,CHEMBL200559,CHEMBL200812,CHEMBL200909,CHEMBL201179,CHEMBL201696,CHEMBL201829,CHEMBL201881,CHEMBL202693,CHEMBL202856,CHEMBL203542,CHEMBL203697,CHEMBL203850,CHEMBL204029,CHEMBL204178,CHEMBL204198,CHEMBL204252,CHEMBL204453,CHEMBL204506,CHEMBL204559,CHEMBL204641,CHEMBL204703,CHEMBL204707,CHEMBL204859,CHEMBL205163,CHEMBL205178,CHEMBL205308,CHEMBL205331,CHEMBL205351,CHEMBL205938,CHEMBL206207,CHEMBL206359,CHEMBL206402,CHEMBL207702,CHEMBL208450,CHEMBL2315853,CHEMBL264572,CHEMBL28636,CHEMBL355812,CHEMBL360705,CHEMBL366517,CHEMBL366677,CHEMBL366726,CHEMBL366992,CHEMBL367123,CHEMBL367179,CHEMBL367550,CHEMBL367617,CHEMBL367785,CHEMBL368173,CHEMBL368724,CHEMBL369315,CHEMBL370579,CHEMBL372393,CHEMBL377284,CHEMBL377499,CHEMBL377674,CHEMBL377797,CHEMBL377927,CHEMBL378649,CHEMBL378875,CHEMBL380148,CHEMBL380329,CHEMBL380457,CHEMBL380595,CHEMBL380731,CHEMBL381142,CHEMBL381158,CHEMBL381251,CHEMBL381304,CHEMBL381363,CHEMBL381716,CHEMBL381834,CHEMBL381879,CHEMBL381971,CHEMBL382013,CHEMBL382095,CHEMBL382479,CHEMBL382484,CHEMBL382524,CHEMBL382829,CHEMBL383064,CHEMBL383103,CHEMBL383151,CHEMBL383154,CHEMBL383207,CHEMBL383210,CHEMBL383272,CHEMBL383409,CHEMBL383470,CHEMBL413045,CHEMBL426117,CHEMBL426475,CHEMBL426846,CHEMBL427380,CHEMBL437691,CHEMBL443302,CHEMBL444007}
@attribute SpMax1_Bh.v. numeric
@attribute piPC06 numeric
@attribute piPC07 numeric
@attribute Eta_betaP numeric
@attribute Eta_F numeric
@attribute piPC09 numeric
@attribute piPC10 numeric
@attribute Ui numeric
@attribute SpMax1_Bh.p. numeric
@attribute piPC08 numeric
@attribute SpMax2_Bh.m. numeric
@attribute AMR numeric
@attribute ATS4v numeric
@attribute SpMax2_Bh.p. numeric
@attribute Eta_beta numeric
@attribute Eta_FL numeric
@attribute PCD numeric
@attribute piPC03 numeric
@attribute piPC04 numeric
@attribute piPC05 numeric
@attribute Eig07_AEA.bo. numeric
@attribute Eig07_EA.bo. numeric
@attribute P_VSA_m_2 numeric
@attribute SM03_AEA.bo. numeric
@attribute Eig11_AEA.dm. numeric
@attribute GGI8 numeric
@attribute Chi0_EA.ri. numeric
@attribute Eig01_EA.ri. numeric
@attribute Eta_alpha numeric
@attribute SpDiam_EA.ri. numeric
@attribute SpMax_EA.ri. numeric
@attribute S0K numeric
@attribute NaasC numeric
@attribute SM06_EA.bo. numeric
@attribute Eig04_AEA.ed. numeric
@attribute Eig01_EA.bo. numeric
@attribute Eig02_EA.bo. numeric
@attribute SM11_AEA.ri. numeric
@attribute SM12_AEA.ri. numeric
@attribute SpAD_AEA.dm. numeric
@attribute SpDiam_EA.bo. numeric
@attribute SpMax7_Bh.m. numeric
@attribute SpMax_EA.bo. numeric
@attribute X0sol numeric
@attribute Eta_betaP_A numeric
@attribute piID numeric
@attribute SM05_EA.bo. numeric
@attribute SpMAD_AEA.dm. numeric
@attribute ATS5v 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 SpMax8_Bh.m. numeric
@attribute X1v numeric
@attribute Eig12_AEA.dm. numeric
@attribute Eig10_AEA.bo. numeric
@attribute SM02_AEA.bo. numeric
@attribute SM07_EA.bo. numeric
@attribute pXC50 numeric

@data
{1 3.907,2 5.6,3 5.959,4 16,5 21.562,6 6.437,7 6.484,8 3.17,9 3.897,10 6.274,11 3.774,12 88.758,13 3.833,14 3.787,15 30,16 5.71,17 1.865,18 4.549,19 5.083,20 5.558,21 2.636,22 1.637,23 132.118,24 5.909,25 1,26 0.098,27 15.963,28 3.31,29 10.967,30 5.31,31 3.31,32 78.042,33 2,34 9.055,35 4.992,36 3.87,37 3.464,38 3.87,39 3.464,40 38.696,41 6.87,42 2.687,43 3.87,44 16.234,45 0.696,46 8.651,47 7.106,48 1.548,49 3.911,50 13.243,51 14.438,52 15.606,53 16.797,54 17.98,55 2.687,56 8.017,57 0.489,58 2.286,59 4.745,60 9.818,61 5.421}
{0 CHEMBL118,1 4.018,2 6.441,3 6.865,4 19,5 29.841,6 7.691,7 7.97,8 3.524,9 4.068,10 7.236,11 4.036,12 93.418,13 3.809,14 3.921,15 35,16 6.997,17 3.246,18 4.893,19 5.471,20 6.023,21 3.007,22 2.178,23 167.794,24 6.256,25 0.898,26 0.594,27 16.825,28 3.105,29 12.057,30 5.105,31 3.105,32 107.457,33 6,34 10.101,35 5.773,36 4.663,37 4.287,38 4.663,39 4.287,40 43.968,41 7.663,42 2.687,43 4.663,44 16.863,45 0.731,46 10.375,47 8.357,48 1.57,49 3.739,50 13.134,51 14.249,52 15.331,53 16.441,54 17.539,55 2.687,56 8.977,57 0.51,58 2.489,59 4.958,60 11.35,61 6.046}
{0 CHEMBL173770,1 4.001,2 6.391,3 6.821,4 19,5 28.4,6 7.634,7 7.877,8 3.524,9 4.078,10 7.191,11 4.026,12 86.273,13 3.7,14 3.914,15 35,16 7.044,17 3.286,18 4.87,19 5.452,20 5.995,21 2.835,22 1.947,23 147.61,24 6.183,25 1,26 0.529,27 16.681,28 3.056,29 11.557,30 5.056,31 3.056,32 108.096,33 6,34 10.052,35 5.773,36 4.663,37 4.259,38 4.663,39 4.259,40 43.66,41 7.663,42 2.687,43 4.663,44 15.992,45 0.76,46 10.351,47 8.286,48 1.617,49 3.645,50 12.727,51 13.83,52 14.889,53 15.985,54 17.063,55 2.629,56 8.952,57 0.666,58 2.311,59 4.907,60 11.294,61 6.523}
{0 CHEMBL174219,1 4,2 6.33,3 6.776,4 19,5 26.655,6 7.549,7 7.819,8 3.524,9 4.078,10 7.12,11 4.021,12 86.057,13 3.685,14 3.914,15 34.25,16 6.84,17 3.258,18 4.835,19 5.423,20 5.952,21 2.708,22 1.781,23 147.965,24 6.136,25 0.873,26 0.43,27 16.171,28 3.053,29 11.271,30 5.053,31 3.053,32 102.039,33 5,34 10.012,35 5.764,36 4.663,37 4.254,38 4.663,39 4.254,40 41.878,41 7.663,42 2.66,43 4.663,44 15.992,45 0.792,46 10.217,47 8.229,48 1.611,49 3.635,50 12.701,51 13.807,52 14.867,53 15.964,54 17.043,55 2.625,56 8.852,57 0.656,58 2.275,59 4.869,60 11.255,61 6.509}
{0 CHEMBL174586,1 4.003,2 6.441,3 6.865,4 19,5 28.555,6 7.691,7 7.97,8 3.524,9 4.079,10 7.236,11 4.734,12 94.569,13 3.742,14 3.93,15 35.5,16 6.796,17 3.246,18 4.893,19 5.471,20 6.023,21 3.007,22 2.178,23 141.189,24 6.256,25 1,26 0.594,27 17.135,28 3.089,29 12.89,30 5.089,31 3.089,32 111.457,33 6,34 10.101,35 5.773,36 4.663,37 4.287,38 4.663,39 4.287,40 44.85,41 7.663,42 2.687,43 4.663,44 17.863,45 0.731,46 10.375,47 8.357,48 1.602,49 3.681,50 12.883,51 13.99,52 15.058,53 16.159,54 17.245,55 2.631,56 9.837,57 0.666,58 2.489,59 4.958,60 11.35,61 6.347}
{0 CHEMBL174724,1 4.002,2 6.473,3 6.914,4 19.5,5 31.543,6 7.73,7 8.013,8 3.524,9 4.078,10 7.287,11 4.032,12 92.736,13 3.826,14 3.914,15 37,16 7.543,17 3.331,18 4.937,19 5.515,20 6.052,21 2.853,22 1.979,23 154.26,24 6.241,25 1,26 0.572,27 18.213,28 3.066,29 12.39,30 5.066,31 3.066,32 124.382,33 7,34 10.114,35 5.842,36 4.663,37 4.276,38 4.663,39 4.276,40 46.811,41 7.663,42 2.816,43 4.663,44 17.57,45 0.722,46 10.583,47 8.361,48 1.614,49 3.76,50 12.821,51 13.921,52 14.98,53 16.074,54 17.152,55 2.631,56 9.481,57 0.878,58 2.324,59 4.965,60 11.364,61 7.301}
{0 CHEMBL174860,1 4.002,2 6.391,3 6.821,4 19,5 27.643,6 7.634,7 7.877,8 3.524,9 4.078,10 7.191,11 4.062,12 90.861,13 3.716,14 3.922,15 35,16 6.913,17 3.286,18 4.87,19 5.452,20 5.995,21 2.835,22 1.947,23 141.99,24 6.183,25 1,26 0.529,27 16.755,28 3.054,29 11.986,30 5.054,31 3.054,32 108.096,33 6,34 10.052,35 5.773,36 4.663,37 4.259,38 4.663,39 4.259,40 43.672,41 7.663,42 2.687,43 4.663,44 17.363,45 0.76,46 10.351,47 8.286,48 1.617,49 3.656,50 12.712,51 13.817,52 14.876,53 15.973,54 17.052,55 2.63,56 9.33,57 0.666,58 2.311,59 4.907,60 11.294,61 6.921}
{0 CHEMBL174982,1 4.005,2 6.4,3 6.854,4 19,5 25.986,6 7.65,7 7.903,8 3.524,9 4.08,10 7.202,11 4.734,12 93.679,13 3.796,14 3.931,15 34.75,16 6.672,17 3.216,18 4.893,19 5.493,20 6.02,21 2.757,22 1.835,23 141.544,24 6.183,25 1,26 0.504,27 16.822,28 3.088,29 12.605,30 5.088,31 3.088,32 108.096,33 6,34 10.092,35 5.819,36 4.663,37 4.411,38 4.663,39 4.411,40 43.8,41 7.663,42 2.687,43 4.663,44 17.863,45 0.76,46 10.245,47 8.319,48 1.622,49 3.744,50 12.792,51 13.906,52 14.98,53 16.087,54 17.178,55 2.656,56 9.757,57 0.772,58 2.5,59 4.907,60 11.359,61 7.097}
{0 CHEMBL175340,1 4.009,2 6.446,3 6.896,4 19,5 29.029,6 7.718,7 7.996,8 3.524,9 4.08,10 7.25,11 4.03,12 100.247,13 3.922,14 3.942,15 35.75,16 6.796,17 3.323,18 4.915,19 5.49,20 6.028,21 2.892,22 2.012,23 159.325,24 6.235,25 1,26 0.641,27 17.826,28 3.062,29 12.771,30 5.062,31 3.062,32 118.382,33 6,34 10.073,35 5.843,36 4.663,37 4.26,38 4.663,39 4.26,40 47.011,41 7.663,42 2.687,43 4.663,44 18.44,45 0.704,46 10.575,47 8.312,48 1.621,49 3.83,50 12.881,51 13.978,52 15.034,53 16.124,54 17.197,55 2.631,56 10.206,57 0.89,58 2.482,59 4.965,60 11.315,61 5.092}
{0 CHEMBL175485,1 4.004,2 6.4,3 6.854,4 19,5 27.826,6 7.65,7 7.903,8 3.524,9 4.079,10 7.202,11 4.123,12 90.861,13 3.776,14 3.922,15 35,16 6.943,17 3.216,18 4.893,19 5.493,20 6.02,21 2.757,22 1.835,23 141.99,24 6.183,25 1,26 0.504,27 16.805,28 3.102,29 11.986,30 5.102,31 3.102,32 108.096,33 6,34 10.092,35 5.819,36 4.663,37 4.411,38 4.663,39 4.411,40 43.831,41 7.663,42 2.687,43 4.663,44 17.363,45 0.76,46 10.245,47 8.319,48 1.623,49 3.724,50 12.827,51 13.944,52 15.022,53 16.133,54 17.229,55 2.654,56 9.342,57 0.774,58 2.5,59 4.907,60 11.359,61 7.357}
{0 CHEMBL175826,1 4,2 6.383,3 6.821,4 19,5 29.015,6 7.604,7 7.91,8 3.524,9 4.078,10 7.168,11 4.028,12 86.946,13 3.704,14 3.914,15 35,16 6.995,17 3.217,18 4.859,19 5.443,20 5.981,21 2.882,22 2.021,23 147.61,24 6.213,25 0.875,26 0.471,27 16.523,28 3.088,29 11.557,30 5.088,31 3.088,32 105.342,33 5,34 10.063,35 5.764,36 4.663,37 4.284,38 4.663,39 4.284,40 43.073,41 7.663,42 2.662,43 4.663,44 15.992,45 0.76,46 10.243,47 8.304,48 1.595,49 3.655,50 12.877,51 13.984,52 15.053,53 16.153,54 17.24,55 2.626,56 8.944,57 0.657,58 2.439,59 4.922,60 11.313,61 6.387}
{0 CHEMBL176265,1 4.002,2 6.478,3 6.918,4 19.5,5 32.457,6 7.749,7 8.061,8 3.524,9 4.078,10 7.289,11 4.033,12 98.158,13 3.865,14 3.915,15 37.5,16 7.422,17 3.286,18 4.923,19 5.503,20 6.05,21 3.013,22 2.187,23 156.795,24 6.283,25 1,26 0.625,27 18.765,28 3.091,29 12.89,30 5.091,31 3.091,32 123.851,33 6,34 10.109,35 5.779,36 4.663,37 4.288,38 4.663,39 4.288,40 47.528,41 7.663,42 2.687,43 4.663,44 18.277,45 0.696,46 10.596,47 8.362,48 1.584,49 3.83,50 12.913,51 14.016,52 15.082,53 16.181,54 17.266,55 2.684,56 10.055,57 0.974,58 2.5,59 4.999,60 11.356,61 6.886}
{0 CHEMBL176387,1 4.007,2 6.519,3 6.953,4 19.5,5 32.982,6 7.785,7 8.103,8 3.524,9 4.079,10 7.331,11 4.039,12 98.451,13 3.916,14 3.931,15 37.5,16 7.536,17 3.293,18 4.958,19 5.533,20 6.079,21 3.012,22 2.186,23 156.795,24 6.311,25 1,26 0.638,27 18.513,28 3.103,29 12.89,30 5.103,31 3.103,32 127.851,33 7,34 10.16,35 6.062,36 4.663,37 4.302,38 4.663,39 4.302,40 47.947,41 7.663,42 2.941,43 4.663,44 18.44,45 0.696,46 10.604,47 8.427,48 1.598,49 3.856,50 13.029,51 14.131,52 15.2,53 16.298,54 17.384,55 2.631,56 9.884,57 0.878,58 2.5,59 5.012,60 11.416,61 6.569}
{0 CHEMBL176642,1 4.002,2 6.441,3 6.865,4 19,5 30.034,6 7.691,7 7.97,8 3.524,9 4.078,10 7.236,11 4.066,12 91.751,13 3.735,14 3.922,15 35.75,16 7.068,17 3.246,18 4.893,19 5.471,20 6.023,21 3.007,22 2.178,23 141.634,24 6.256,25 1,26 0.594,27 17.107,28 3.089,29 12.271,30 5.089,31 3.089,32 109.457,33 6,34 10.101,35 5.773,36 4.663,37 4.287,38 4.663,39 4.287,40 44.865,41 7.663,42 2.687,43 4.663,44 17.363,45 0.731,46 10.375,47 8.357,48 1.602,49 3.676,50 12.886,51 13.992,52 15.061,53 16.161,54 17.247,55 2.63,56 9.422,57 0.666,58 2.489,59 4.958,60 11.35,61 6.602}
{0 CHEMBL176677,1 4.007,2 6.43,3 6.877,4 19,5 28.731,6 7.695,7 7.97,8 3.524,9 4.08,10 7.247,11 4.029,12 100.3,13 3.894,14 3.937,15 35.75,16 6.822,17 3.323,18 4.901,19 5.484,20 6.023,21 2.853,22 1.967,23 155.569,24 6.211,25 1,26 0.56,27 18.196,28 3.058,29 12.771,30 5.058,31 3.058,32 120.382,33 6,34 10.06,35 5.778,36 4.663,37 4.259,38 4.663,39 4.259,40 46.168,41 7.663,42 2.721,43 4.663,44 18.277,45 0.704,46 10.575,47 8.292,48 1.592,49 3.837,50 12.778,51 13.88,52 14.934,53 16.028,54 17.103,55 2.687,56 10.324,57 0.916,58 2.345,59 4.951,60 11.3,61 5.699}
{0 CHEMBL176934,1 4.004,2 6.493,3 6.936,4 19.5,5 33.258,6 7.771,7 8.089,8 3.524,9 4.079,10 7.292,11 4.035,12 101.375,13 3.916,14 3.923,15 37.75,16 7.573,17 3.286,18 4.937,19 5.509,20 6.055,21 3.025,22 2.201,23 160.808,24 6.305,25 1,26 0.706,27 18.287,28 3.093,29 12.957,30 5.093,31 3.093,32 121.851,33 6,34 10.121,35 5.938,36 4.663,37 4.288,38 4.663,39 4.288,40 48.106,41 7.663,42 2.687,43 4.663,44 18.44,45 0.696,46 10.596,47 8.381,48 1.604,49 3.833,50 12.969,51 14.069,52 15.132,53 16.227,54 17.309,55 2.631,56 9.973,57 0.924,58 2.5,59 5.012,60 11.369,61 6.921}
{0 CHEMBL176983,1 4.001,2 6.468,3 6.901,4 19.5,5 31.966,6 7.732,7 8.032,8 3.524,9 4.078,10 7.264,11 4.032,12 93.41,13 3.816,14 3.914,15 37,16 7.48,17 3.268,18 4.915,19 5.49,20 6.039,21 3.012,22 2.185,23 154.26,24 6.27,25 1,26 0.625,27 18.02,28 3.091,29 12.39,30 5.091,31 3.091,32 117.627,33 6,34 10.107,35 5.778,36 4.663,37 4.288,38 4.663,39 4.288,40 46.112,41 7.663,42 2.687,43 4.663,44 17.57,45 0.722,46 10.491,47 8.362,48 1.59,49 3.753,50 12.911,51 14.015,52 15.081,53 16.18,54 17.265,55 2.631,56 9.467,57 0.871,58 2.5,59 4.978,60 11.355,61 7.357}
{0 CHEMBL177244,1 4.001,2 6.419,3 6.859,4 19.5,5 29.523,6 7.677,7 7.938,8 3.524,9 4.078,10 7.221,11 4.025,12 92.52,13 3.799,14 3.914,15 36.25,16 7.325,17 3.307,18 4.893,19 5.471,20 6.012,21 2.848,22 1.961,23 154.616,24 6.197,25 1,26 0.56,27 17.668,28 3.056,29 12.105,30 5.056,31 3.056,32 114.211,33 6,34 10.058,35 5.778,36 4.663,37 4.259,38 4.663,39 4.259,40 44.947,41 7.663,42 2.687,43 4.663,44 17.57,45 0.75,46 10.469,47 8.292,48 1.605,49 3.734,50 12.742,51 13.844,52 14.901,53 15.996,54 17.074,55 2.63,56 9.375,57 0.87,58 2.322,59 4.929,60 11.3,61 7.194}
{0 CHEMBL177397,1 4.002,2 6.391,3 6.821,4 19,5 26.203,6 7.634,7 7.877,8 3.524,9 4.079,10 7.191,11 4.734,12 93.679,13 3.724,14 3.93,15 34.75,16 6.641,17 3.286,18 4.87,19 5.452,20 5.995,21 2.835,22 1.947,23 141.544,24 6.183,25 1,26 0.529,27 16.783,28 3.054,29 12.605,30 5.054,31 3.054,32 108.096,33 6,34 10.052,35 5.773,36 4.663,37 4.259,38 4.663,39 4.259,40 43.654,41 7.663,42 2.687,43 4.663,44 17.863,45 0.76,46 10.351,47 8.286,48 1.617,49 3.661,50 12.708,51 13.814,52 14.873,53 15.97,54 17.049,55 2.63,56 9.745,57 0.665,58 2.311,59 4.907,60 11.294,61 6.538}
{0 CHEMBL177649,1 4.004,2 6.519,3 6.953,4 19.5,5 31.304,6 7.785,7 8.103,8 3.524,9 4.079,10 7.331,11 4.734,12 101.032,13 3.887,14 3.932,15 37.5,16 7.297,17 3.293,18 4.958,19 5.533,20 6.079,21 3.012,22 2.186,23 147.839,24 6.311,25 1,26 0.638,27 18.65,28 3.093,29 13.724,30 5.093,31 3.093,32 127.851,33 7,34 10.16,35 6.062,36 4.663,37 4.302,38 4.663,39 4.302,40 47.97,41 7.663,42 3.009,43 4.663,44 19.44,45 0.696,46 10.604,47 8.427,48 1.599,49 3.818,50 12.934,51 14.037,52 15.103,53 16.201,54 17.286,55 2.631,56 10.366,57 0.879,58 2.5,59 5.012,60 11.416,61 5.824}
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{0 CHEMBL197869,1 3.964,2 6.199,3 6.592,4 16.5,5 27.407,6 7.248,7 7.609,8 3.392,9 4.033,10 6.86,11 4.008,12 94.16,13 3.81,14 3.805,15 33,16 6.11,17 2.36,18 4.759,19 5.328,20 5.799,21 3.039,22 1.931,23 202.743,24 6.164,25 0.973,26 0.472,27 17.227,28 3.112,29 11.971,30 5.059,31 3.112,32 118.211,33 5,34 9.991,35 5.481,36 4.663,37 4.365,38 4.663,39 4.365,40 44.211,41 7.663,42 2.924,43 4.663,44 18.155,45 0.635,46 9.169,47 8.266,48 1.637,49 3.732,50 13.044,51 14.164,52 15.263,53 16.38,54 17.49,55 2.686,56 9.275,57 0.51,58 2.372,59 4.896,60 11.304,61 6.699}
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{0 CHEMBL199337,1 3.986,2 6.315,3 6.727,4 20.5,5 32.855,6 7.494,7 7.906,8 3.7,9 4.076,10 7.072,11 4.22,12 100.564,13 3.8,14 3.919,15 38.75,16 7.462,17 2.887,18 4.942,19 5.515,20 5.911,21 3.074,22 1.985,23 186.061,24 6.332,25 1,26 0.555,27 18.874,28 3.17,29 13.19,30 5.116,31 3.17,32 127.851,33 6,34 10.132,35 5.792,36 4.663,37 4.405,38 4.663,39 4.405,40 49.081,41 7.663,42 2.929,43 4.663,44 18.63,45 0.732,46 10.052,47 8.4,48 1.636,49 3.749,50 13.039,51 14.164,52 15.268,53 16.394,54 17.515,55 2.682,56 10.412,57 0.936,58 2.51,59 5.043,60 11.413,61 6.903}
{0 CHEMBL199344,1 3.99,2 6.38,3 6.772,4 16.5,5 31.327,6 7.488,7 7.85,8 3.392,9 4.077,10 7.086,11 4.035,12 102.437,13 4.065,14 3.854,15 35.5,16 6.333,17 2.314,18 4.865,19 5.457,20 5.961,21 3.111,22 2.091,23 165.506,24 6.334,25 1.29,26 0.59,27 18.931,28 3.208,29 13.357,30 5.154,31 3.208,32 128.127,33 5,34 10.075,35 5.914,36 4.664,37 4.427,38 4.664,39 4.427,40 52.53,41 7.664,42 3.053,43 4.664,44 19.31,45 0.569,46 9.657,47 8.374,48 1.695,49 4.037,50 13.214,51 14.344,52 15.453,53 16.586,54 17.713,55 2.826,56 10.823,57 1,58 2.516,59 5.048,60 11.387,61 7.022}
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{0 CHEMBL199431,1 3.985,2 6.278,3 6.659,4 16.5,5 29.966,6 7.315,7 7.72,8 3.392,9 4.075,10 6.927,11 4.02,12 95.28,13 3.896,14 3.818,15 33.75,16 6.201,17 2.344,18 4.793,19 5.366,20 5.864,21 3.059,22 1.929,23 182.471,24 6.262,25 1,26 0.463,27 17.303,28 3.175,29 12.357,30 5.121,31 3.175,32 119.627,33 5,34 10.052,35 5.83,36 4.663,37 4.407,38 4.663,39 4.407,40 47.379,41 7.663,42 2.932,43 4.663,44 18.319,45 0.611,46 9.224,47 8.352,48 1.692,49 3.839,50 13.103,51 14.222,52 15.325,53 16.447,54 17.565,55 2.628,56 9.784,57 0.813,58 2.5,59 4.961,60 11.368,61 6.879}
{0 CHEMBL199681,1 3.995,2 6.296,3 6.705,4 16.5,5 27.683,6 7.436,7 7.815,8 3.392,9 4.077,10 7.016,11 4.026,12 99.858,13 3.892,14 3.93,15 35,16 6.033,17 2.319,18 4.872,19 5.442,20 5.893,21 3.089,22 2.004,23 166.489,24 6.29,25 1.378,26 0.571,27 18.993,28 3.131,29 13.071,30 5.131,31 3.131,32 130.606,33 5,34 10.025,35 6.119,36 4.663,37 4.367,38 4.663,39 4.367,40 52.568,41 7.663,42 2.913,43 4.663,44 18.724,45 0.589,46 9.897,47 8.308,48 1.696,49 3.857,50 13.21,51 14.33,52 15.421,53 16.535,54 17.639,55 2.689,56 10.909,57 1,58 2.5,59 5.035,60 11.327,61 6.377}
{0 CHEMBL199682,1 3.973,2 6.331,3 6.729,4 16.5,5 29.033,6 7.443,7 7.777,8 3.392,9 4.035,10 7.033,11 4.026,12 101.135,13 4.028,14 3.846,15 34.75,16 6.219,17 2.332,18 4.841,19 5.431,20 5.92,21 3.111,22 2.006,23 189.962,24 6.266,25 1.224,26 0.549,27 18.491,28 3.162,29 12.971,30 5.108,31 3.162,32 124.606,33 5,34 10.023,35 5.883,36 4.663,37 4.39,38 4.663,39 4.39,40 50.236,41 7.663,42 3.051,43 4.663,44 19.31,45 0.589,46 9.618,47 8.304,48 1.675,49 4.003,50 13.215,51 14.341,52 15.446,53 16.57,54 17.688,55 2.815,56 10.214,57 1,58 2.5,59 5.002,60 11.331,61 6.678}
{0 CHEMBL199901,1 3.983,2 6.213,3 6.613,4 16.5,5 29.662,6 7.3,7 7.663,8 3.392,9 4.075,10 6.9,11 4.008,12 91.083,13 3.771,14 3.808,15 35,16 6.967,17 2.34,18 4.801,19 5.366,20 5.814,21 3.054,22 1.94,23 168.001,24 6.205,25 1.451,26 0.485,27 18.431,28 3.111,29 12.238,30 5.057,31 3.111,32 120.382,33 5,34 9.998,35 5.492,36 4.663,37 4.365,38 4.663,39 4.365,40 48.512,41 7.663,42 2.944,43 4.663,44 18.277,45 0.611,46 9.443,47 8.271,48 1.673,49 3.714,50 12.871,51 13.98,52 15.065,53 16.173,54 17.274,55 2.628,56 9.648,57 1.012,58 2.418,59 4.954,60 11.307,61 6.721}
{0 CHEMBL199991,1 3.983,2 6.263,3 6.654,4 16.5,5 32.205,6 7.348,7 7.744,8 3.392,9 4.075,10 6.953,11 4.018,12 91.973,13 3.795,14 3.808,15 35.75,16 7.122,17 2.323,18 4.825,19 5.393,20 5.86,21 3.069,22 1.957,23 167.646,24 6.277,25 1.46,26 0.555,27 18.783,28 3.17,29 12.524,30 5.116,31 3.17,32 123.851,33 5,34 10.051,35 5.792,36 4.663,37 4.405,38 4.663,39 4.405,40 49.82,41 7.663,42 2.958,43 4.663,44 18.277,45 0.589,46 9.487,47 8.343,48 1.661,49 3.737,50 13.06,51 14.182,52 15.284,53 16.408,54 17.526,55 2.628,56 9.74,57 1.02,58 2.5,59 5.002,60 11.364,61 6.9}
{0 CHEMBL199992,1 3.986,2 6.256,3 6.643,4 16.5,5 28.489,6 7.314,7 7.704,8 3.392,9 4.075,10 6.932,11 4.021,12 89.059,13 3.753,14 3.846,15 33.75,16 6.224,17 2.342,18 4.784,19 5.361,20 5.848,21 3.07,22 1.956,23 163.17,24 6.262,25 1,26 0.5,27 17.245,28 3.17,29 11.857,30 5.116,31 3.17,32 113.457,33 5,34 10.053,35 5.793,36 4.663,37 4.405,38 4.663,39 4.405,40 47.316,41 7.663,42 2.828,43 4.663,44 16.863,45 0.635,46 9.282,47 8.352,48 1.69,49 3.699,50 13.113,51 14.231,52 15.329,53 16.448,54 17.563,55 2.627,56 9.508,57 0.769,58 2.5,59 4.961,60 11.367,61 6.959}
{0 CHEMBL200152,1 3.984,2 6.208,3 6.606,4 16.5,5 27.481,6 7.249,7 7.623,8 3.392,9 4.075,10 6.867,11 4.009,12 94.37,13 3.831,14 3.817,15 33,16 6.063,17 2.36,18 4.75,19 5.328,20 5.805,21 3.055,22 1.939,23 184.932,24 6.225,25 1,26 0.443,27 16.682,28 3.134,29 12.071,30 5.081,31 3.134,32 113.457,33 5,34 10.023,35 6.122,36 4.663,37 4.366,38 4.663,39 4.366,40 46.676,41 7.663,42 2.765,43 4.663,44 18.371,45 0.635,46 9.169,47 8.321,48 1.729,49 3.747,50 13.326,51 14.448,52 15.555,53 16.675,54 17.791,55 2.627,56 9.545,57 0.732,58 2.378,59 4.925,60 11.333,61 6.699}
{0 CHEMBL200406,1 3.983,2 6.25,3 6.611,4 16.5,5 28.497,6 7.274,7 7.669,8 3.392,9 4.075,10 6.873,11 4.018,12 86.284,13 3.746,14 3.811,15 32.75,16 6.219,17 2.357,18 4.759,19 5.356,20 5.847,21 3.012,22 1.88,23 173.646,24 6.211,25 0.855,26 0.438,27 16.108,28 3.172,29 11.357,30 5.119,31 3.172,32 107.342,33 5,34 10.041,35 5.796,36 4.663,37 4.406,38 4.663,39 4.406,40 44.275,41 7.663,42 2.628,43 4.663,44 16.741,45 0.66,46 9.095,47 8.336,48 1.703,49 3.705,50 13.037,51 14.163,52 15.272,53 16.4,54 17.523,55 2.499,56 8.873,57 0.51,58 2.5,59 4.903,60 11.361,61 6.444}
{0 CHEMBL200518,1 3.982,2 6.343,3 6.745,4 16.5,5 30.473,6 7.482,7 7.89,8 3.392,9 4.037,10 7.067,11 4.034,12 100.335,13 3.891,14 3.926,15 35.75,16 6.23,17 2.301,18 4.895,19 5.468,20 5.935,21 3.091,22 2.053,23 190.235,24 6.356,25 1.315,26 0.66,27 19.257,28 3.182,29 13.257,30 5.182,31 3.182,32 134.127,33 5,34 10.077,35 6.254,36 4.663,37 4.407,38 4.663,39 4.407,40 53.088,41 7.663,42 2.923,43 4.663,44 18.724,45 0.569,46 9.929,47 8.378,48 1.659,49 3.858,50 13.471,51 14.602,52 15.71,53 16.838,54 17.957,55 2.689,56 10.484,57 1,58 2.513,59 5.08,60 11.383,61 6.854}
{0 CHEMBL200559,1 3.973,2 6.38,3 6.772,4 16.5,5 31.603,6 7.488,7 7.85,8 3.392,9 4.035,10 7.086,11 4.035,12 102.024,13 4.046,14 3.846,15 35.5,16 6.374,17 2.314,18 4.865,19 5.457,20 5.961,21 3.111,22 2.091,23 189.607,24 6.334,25 1.239,26 0.59,27 18.843,28 3.208,29 13.257,30 5.154,31 3.208,32 128.127,33 5,34 10.075,35 5.914,36 4.664,37 4.427,38 4.664,39 4.427,40 51.523,41 7.664,42 3.052,43 4.664,44 19.31,45 0.569,46 9.657,47 8.374,48 1.662,49 4.021,50 13.353,51 14.486,52 15.601,53 16.735,54 17.864,55 2.825,56 10.306,57 1,58 2.516,59 5.048,60 11.387,61 5.728}
{0 CHEMBL200812,1 3.987,2 6.331,3 6.729,4 16.5,5 30.124,6 7.443,7 7.777,8 3.392,9 4.076,10 7.033,11 4.024,12 98.373,13 4.01,14 3.831,15 35.25,16 6.63,17 2.332,18 4.841,19 5.431,20 5.92,21 3.111,22 2.006,23 163.326,24 6.266,25 1.289,26 0.549,27 18.739,28 3.158,29 12.905,30 5.104,31 3.158,32 124.606,33 5,34 10.023,35 5.883,36 4.663,37 4.39,38 4.663,39 4.39,40 51.184,41 7.663,42 3.045,43 4.663,44 19.31,45 0.589,46 9.618,47 8.304,48 1.706,49 4.001,50 13.003,51 14.125,52 15.225,53 16.348,54 17.464,55 2.792,56 10.386,57 1,58 2.5,59 5.002,60 11.331,61 6.737}
{0 CHEMBL200909,1 3.969,2 6.331,3 6.729,4 16.5,5 30.391,6 7.443,7 7.777,8 3.392,9 4.034,10 7.033,11 4.024,12 97.961,13 3.99,14 3.823,15 35.25,16 6.671,17 2.332,18 4.841,19 5.431,20 5.92,21 3.111,22 2.006,23 187.427,24 6.266,25 1.255,26 0.549,27 18.651,28 3.159,29 12.805,30 5.105,31 3.159,32 124.606,33 5,34 10.023,35 5.883,36 4.663,37 4.39,38 4.663,39 4.39,40 50.167,41 7.663,42 3.044,43 4.663,44 19.31,45 0.589,46 9.618,47 8.304,48 1.672,49 3.984,50 13.172,51 14.299,52 15.407,53 16.533,54 17.654,55 2.791,56 9.869,57 1,58 2.5,59 5.002,60 11.331,61 5.301}
{0 CHEMBL201179,1 3.988,2 6.38,3 6.772,4 16.5,5 32.711,6 7.488,7 7.85,8 3.392,9 4.076,10 7.086,11 4.033,12 99.263,13 4.029,14 3.831,15 36,16 6.785,17 2.314,18 4.865,19 5.457,20 5.961,21 3.111,22 2.091,23 162.971,24 6.334,25 1.321,26 0.59,27 19.091,28 3.206,29 13.19,30 5.152,31 3.206,32 128.127,33 5,34 10.075,35 5.914,36 4.664,37 4.427,38 4.664,39 4.427,40 52.518,41 7.664,42 3.046,43 4.664,44 19.31,45 0.569,46 9.657,47 8.374,48 1.694,49 4.019,50 13.171,51 14.302,52 15.415,53 16.549,54 17.679,55 2.8,56 10.478,57 1,58 2.516,59 5.048,60 11.387,61 6.854}
{0 CHEMBL201696,1 3.984,2 6.263,3 6.654,4 16.5,5 31.008,6 7.348,7 7.744,8 3.392,9 4.075,10 6.953,11 4.019,12 95.371,13 3.824,14 3.813,15 35.25,16 6.693,17 2.323,18 4.825,19 5.393,20 5.86,21 3.069,22 1.957,23 167.763,24 6.277,25 1,26 0.555,27 18.797,28 3.17,29 12.69,30 5.116,31 3.17,32 127.851,33 5,34 10.051,35 5.792,36 4.663,37 4.405,38 4.663,39 4.405,40 49.538,41 7.663,42 2.958,43 4.663,44 18.277,45 0.589,46 9.487,47 8.343,48 1.651,49 3.764,50 13.047,51 14.171,52 15.274,53 16.399,54 17.519,55 2.628,56 10.124,57 0.984,58 2.5,59 5.002,60 11.364,61 7.201}
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