@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL3394

@attribute molecule_id {CHEMBL10557,CHEMBL1063,CHEMBL107,CHEMBL1081,CHEMBL122397,CHEMBL136780,CHEMBL137828,CHEMBL137829,CHEMBL137897,CHEMBL137924,CHEMBL138062,CHEMBL138340,CHEMBL138391,CHEMBL138698,CHEMBL139143,CHEMBL139195,CHEMBL139665,CHEMBL139833,CHEMBL139889,CHEMBL140047,CHEMBL140220,CHEMBL140223,CHEMBL140337,CHEMBL140363,CHEMBL140537,CHEMBL140662,CHEMBL140680,CHEMBL140681,CHEMBL140774,CHEMBL140777,CHEMBL140778,CHEMBL140818,CHEMBL14087,CHEMBL140873,CHEMBL140955,CHEMBL141007,CHEMBL141056,CHEMBL14113,CHEMBL14114,CHEMBL141151,CHEMBL14120,CHEMBL141235,CHEMBL141242,CHEMBL141270,CHEMBL141271,CHEMBL141316,CHEMBL141317,CHEMBL141508,CHEMBL141525,CHEMBL141904,CHEMBL142075,CHEMBL142088,CHEMBL142135,CHEMBL142146,CHEMBL14270,CHEMBL14284,CHEMBL14290,CHEMBL14323,CHEMBL14337,CHEMBL143680,CHEMBL143850,CHEMBL14412,CHEMBL14463,CHEMBL14525,CHEMBL14526,CHEMBL14536,CHEMBL14540,CHEMBL14542,CHEMBL14544,CHEMBL14550,CHEMBL14584,CHEMBL14628,CHEMBL14633,CHEMBL14644,CHEMBL14678,CHEMBL14691,CHEMBL14775,CHEMBL14782,CHEMBL14809,CHEMBL14928,CHEMBL14944,CHEMBL15011,CHEMBL15050,CHEMBL152280,CHEMBL152356,CHEMBL152446,CHEMBL152450,CHEMBL152554,CHEMBL152799,CHEMBL152800,CHEMBL153439,CHEMBL153454,CHEMBL154225,CHEMBL15450,CHEMBL154628,CHEMBL155335,CHEMBL155390,CHEMBL15634,CHEMBL156612,CHEMBL156658,CHEMBL156889,CHEMBL15706,CHEMBL15831,CHEMBL15845,CHEMBL159,CHEMBL16098,CHEMBL1627434,CHEMBL1627436,CHEMBL1627438,CHEMBL1627439,CHEMBL1627440,CHEMBL1627441,CHEMBL1627442,CHEMBL1627443,CHEMBL1627445,CHEMBL1627446,CHEMBL1627838,CHEMBL1627843,CHEMBL1628145,CHEMBL175431,CHEMBL175504,CHEMBL180024,CHEMBL18981,CHEMBL189905,CHEMBL19531,CHEMBL20289,CHEMBL20705,CHEMBL20827,CHEMBL241993,CHEMBL242428,CHEMBL265926,CHEMBL273758,CHEMBL273990,CHEMBL275872,CHEMBL276340,CHEMBL276535,CHEMBL276541,CHEMBL277048,CHEMBL277998,CHEMBL278474,CHEMBL279142,CHEMBL279539,CHEMBL279811,CHEMBL280099,CHEMBL280101,CHEMBL280959,CHEMBL281995,CHEMBL28250,CHEMBL282958,CHEMBL282984,CHEMBL283411,CHEMBL29086,CHEMBL295117,CHEMBL295644,CHEMBL295738,CHEMBL296066,CHEMBL296406,CHEMBL296914,CHEMBL297236,CHEMBL297677,CHEMBL297848,CHEMBL298240,CHEMBL298378,CHEMBL298520,CHEMBL299613,CHEMBL306406,CHEMBL307689,CHEMBL309024,CHEMBL312518,CHEMBL313864,CHEMBL31663,CHEMBL31779,CHEMBL32021,CHEMBL32082,CHEMBL32128,CHEMBL32242,CHEMBL337597,CHEMBL339413,CHEMBL340408,CHEMBL340756,CHEMBL341341,CHEMBL341946,CHEMBL343071,CHEMBL343288,CHEMBL344614,CHEMBL346002,CHEMBL346431,CHEMBL347182,CHEMBL347323,CHEMBL348049,CHEMBL351131,CHEMBL351349,CHEMBL351579,CHEMBL356376,CHEMBL369671,CHEMBL389126,CHEMBL414618,CHEMBL417295,CHEMBL418350,CHEMBL418352,CHEMBL422643,CHEMBL433632,CHEMBL435027,CHEMBL436000,CHEMBL438563,CHEMBL440529,CHEMBL442784,CHEMBL443474,CHEMBL44918,CHEMBL451490,CHEMBL45469,CHEMBL45473,CHEMBL45481,CHEMBL45512,CHEMBL46052,CHEMBL46072,CHEMBL46215,CHEMBL47112,CHEMBL47306,CHEMBL48004,CHEMBL48472,CHEMBL48515,CHEMBL48975,CHEMBL49093,CHEMBL49267,CHEMBL49330,CHEMBL49422,CHEMBL49424,CHEMBL49431,CHEMBL49477,CHEMBL51729,CHEMBL52501,CHEMBL61,CHEMBL67,CHEMBL72252,CHEMBL72681,CHEMBL72723,CHEMBL72961,CHEMBL73127,CHEMBL73156,CHEMBL73218,CHEMBL73273,CHEMBL73445,CHEMBL73707,CHEMBL75041,CHEMBL79720,CHEMBL84903,CHEMBL85065}
@attribute MATS3p numeric
@attribute MATS3i numeric
@attribute NdssC numeric
@attribute MATS3v numeric
@attribute SaaCH numeric
@attribute nR06 numeric
@attribute D.Dtr07 numeric
@attribute nR07 numeric
@attribute GATS3v numeric
@attribute C.019 numeric
@attribute C.017 numeric
@attribute nR.Ct numeric
@attribute nCconj numeric
@attribute ARR numeric
@attribute D.Dtr11 numeric
@attribute SpMin1_Bh.v. numeric
@attribute C.038 numeric
@attribute SpMin8_Bh.e. numeric
@attribute GATS3i numeric
@attribute ATSC7i numeric
@attribute D.Dtr12 numeric
@attribute nR12 numeric
@attribute C.016 numeric
@attribute NdsCH numeric
@attribute nR.Cs numeric
@attribute ATS7s numeric
@attribute SpMin8_Bh.i. numeric
@attribute SpMin8_Bh.v. numeric
@attribute SpMax2_Bh.i. numeric
@attribute ATS4m numeric
@attribute ATS5m numeric
@attribute ATS7e numeric
@attribute nR11 numeric
@attribute ATSC6i numeric
@attribute CATS2D_05_AL numeric
@attribute SpMin1_Bh.p. numeric
@attribute ATS3m numeric
@attribute ATS8e numeric
@attribute CATS2D_06_AL numeric
@attribute SpMin8_Bh.p. numeric
@attribute ATS7i numeric
@attribute ATS7p numeric
@attribute GGI4 numeric
@attribute SpMax3_Bh.m. numeric
@attribute SpMax8_Bh.m. numeric
@attribute SpMin1_Bh.m. numeric
@attribute Eig02_AEA.dm. numeric
@attribute nRCO numeric
@attribute SdssC numeric
@attribute SpMin8_Bh.m. numeric
@attribute nDB numeric
@attribute ATS6m numeric
@attribute ATS7v numeric
@attribute SpMax8_Bh.v. numeric
@attribute NaaCH numeric
@attribute Eig05_EA numeric
@attribute SM13_AEA.bo. numeric
@attribute Eig04_AEA.dm. numeric
@attribute ATS6e numeric
@attribute ATS7m numeric
@attribute ATS8i numeric
@attribute SM11_EA.bo. numeric
@attribute ATSC7v numeric
@attribute SM12_EA.bo. numeric
@attribute pXC50 numeric

@data
{1 -0.097,2 -0.087,4 -0.095,5 9.294,6 2,9 1.111,14 0.5,16 2.049,18 0.883,19 1.199,20 0.97,26 5.414,27 0.839,28 1.131,29 3.891,30 3.772,31 3.561,32 4.612,34 1.052,35 4,36 2.048,37 3.839,38 4.448,39 4,40 1.138,41 4.901,42 3.624,43 1.658,44 3.315,45 2.78,46 2.059,47 3.143,50 1.139,52 3.36,53 3.47,54 2.748,55 5,56 2.061,57 2.061,58 2.555,59 4.677,60 3.315,61 4.717,62 15.957,63 12.315,64 17.416,65 6.201}
{0 CHEMBL1063,1 0.119,2 0.111,3 4,4 0.121,5 1.945,6 1,7 105.206,8 2,9 0.894,10 1,11 2,12 2,13 7,14 0.214,15 84.725,16 2.015,17 1,18 1.102,19 1.023,20 1.438,21 92.196,22 1,23 3,24 3,25 4,26 6.01,27 1.019,28 1.378,29 3.801,30 4.232,31 4.172,32 5.023,33 1,34 1.632,35 11,36 2.025,37 4.196,38 4.833,39 9,40 1.355,41 5.278,42 3.978,43 2.631,44 3.465,45 2.943,46 2.007,47 3.496,48 1,49 1.67,50 1.425,51 4,52 4,53 3.847,54 2.867,55 1,56 2.195,57 2.195,58 2.707,59 5.1,60 3.762,61 5.114,62 16.463,63 16.985,64 17.939,65 5.523}
{0 CHEMBL107,1 0.154,2 0.179,3 5,4 0.11,5 1.916,6 1,7 121.331,8 2,9 0.884,10 1,11 2,12 2,13 7,14 0.194,15 99.561,16 2.015,17 1,18 1.137,19 0.967,20 1.788,21 106.503,22 1,23 3,24 3,25 4,26 6.341,27 1.051,28 1.462,29 3.807,30 4.342,31 4.339,32 5.227,33 1,34 1.95,35 14,36 2.025,37 4.27,38 5.068,39 12,40 1.433,41 5.465,42 4.228,43 2.791,44 3.56,45 2.985,46 2.007,47 3.529,48 1,49 1.278,50 1.517,51 5,52 4.252,53 4.129,54 2.904,55 1,56 2.205,57 2.205,58 3.124,59 5.268,60 4.114,61 5.317,62 16.471,63 20.758,64 17.946,65 5.62}
{0 CHEMBL1081,1 0.135,2 0.161,3 5,4 0.089,5 1.638,6 1,7 114.75,8 2,9 0.893,10 1,11 2,12 2,13 7,14 0.2,15 95.116,16 2.012,17 1,18 1.136,19 0.969,20 1.566,21 100.88,22 1,23 3,24 3,25 4,26 6.306,27 1.051,28 1.429,29 3.802,30 4.294,31 4.274,32 5.1,33 1,34 1.809,35 12,36 2.021,37 4.24,38 4.918,39 10,40 1.409,41 5.325,42 4.094,43 2.671,44 3.559,45 2.968,46 2.005,47 3.529,48 1,49 1.087,50 1.464,51 5,52 4.19,53 4.017,54 2.897,55 1,56 2.201,57 2.201,58 3.108,59 5.201,60 4.046,61 5.149,62 16.456,63 17.588,64 17.93,65 5.538}
{0 CHEMBL122397,1 -0.088,2 -0.155,3 1,4 -0.01,5 8.954,6 2,9 1.01,13 1,14 0.444,16 2.039,18 0.88,19 1.182,20 1.069,26 5.766,27 0.857,28 1.151,29 3.901,30 3.77,31 3.684,32 4.659,34 1.103,35 2,36 2.045,37 3.854,38 4.604,39 1,40 1.179,41 4.885,42 3.788,43 1.387,44 3.585,45 2.77,46 2.033,47 3.111,49 -0.317,50 1.114,51 1,52 3.609,53 3.702,54 2.732,55 6,56 1.989,57 1.989,58 2.462,59 4.684,60 3.61,61 4.826,62 15.777,63 11.469,64 17.23,65 5.444}
{0 CHEMBL136780,1 -0.138,2 -0.176,3 2,4 -0.113,5 8.909,6 2,9 1.065,13 1,14 0.4,16 2.021,18 1.093,19 1.343,20 1.381,26 6.022,27 1.023,28 1.372,29 3.927,30 4.131,31 4.053,32 4.937,34 1.349,35 7,36 2.017,37 4.111,38 4.812,39 3,40 1.37,41 5.177,42 3.983,43 2.528,44 3.629,45 2.918,46 2.029,47 3.405,49 0.068,50 1.303,51 2,52 4.021,53 3.917,54 2.89,55 5,56 2.236,57 2.236,58 2.979,59 4.855,60 3.936,61 5.04,62 16.182,63 14.374,64 17.628,65 5.469}
{0 CHEMBL137828,1 -0.16,2 -0.21,3 1,4 -0.148,5 16.739,6 3,9 1.102,13 1,14 0.581,16 2.042,18 0.88,19 1.227,20 1.067,26 5.836,27 0.821,28 1.107,29 3.939,30 3.976,31 3.88,32 4.615,34 1.123,35 2,36 2.046,37 4.181,38 4.553,39 2,40 1.086,41 4.805,42 3.849,43 1.569,44 3.839,45 2.915,46 2.032,47 3.111,49 -0.372,50 1.114,51 1,52 3.859,53 3.78,54 2.732,55 10,56 2.121,57 2.121,58 2.787,59 4.638,60 3.902,61 4.743,62 15.938,63 10.377,64 17.401,65 5.377}
{0 CHEMBL137829,1 -0.18,2 -0.211,3 1,4 -0.148,5 16.224,6 3,9 1.109,13 1,14 0.581,16 2.042,18 0.88,19 1.233,20 1.051,26 5.854,27 0.821,28 1.107,29 3.941,30 3.892,31 3.8,32 4.618,34 1.106,35 2,36 2.047,37 4.05,38 4.555,39 2,40 1.086,41 4.809,42 3.834,43 1.569,44 3.838,45 2.891,46 2.037,47 3.111,49 -0.389,50 1.114,51 1,52 3.764,53 3.774,54 2.732,55 10,56 2.121,57 2.121,58 2.787,59 4.64,60 3.797,61 4.745,62 15.938,63 10.251,64 17.401,65 5.495}
{0 CHEMBL137897,1 -0.149,2 -0.163,3 1,4 -0.108,5 16.131,6 3,9 1.07,13 1,14 0.6,16 2.04,18 0.85,19 1.197,20 1.052,26 5.8,27 0.808,28 1.082,29 3.928,30 3.822,31 3.735,32 4.59,34 1.097,35 1,36 2.046,37 3.937,38 4.535,39 2,40 1.086,41 4.793,42 3.778,43 1.378,44 3.808,45 2.769,46 2.024,47 3.111,49 -0.391,50 1.109,51 1,52 3.69,53 3.727,54 2.732,55 10,56 2.091,57 2.091,58 2.715,59 4.617,60 3.711,61 4.736,62 15.862,63 10.041,64 17.334,65 5.444}
{0 CHEMBL137924,1 -0.18,2 -0.209,3 1,4 -0.134,5 18.71,6 3,9 1.106,13 1,14 0.6,16 2.045,18 0.88,19 1.231,20 1.068,26 5.815,27 0.821,28 1.107,29 3.941,30 3.821,31 3.734,32 4.608,34 1.119,35 2,36 2.048,37 3.935,38 4.548,39 2,40 1.086,41 4.81,42 3.808,43 1.378,44 3.825,45 2.769,46 2.059,47 3.111,49 -0.364,50 1.117,51 1,52 3.683,53 3.75,54 2.732,55 11,56 2.091,57 2.091,58 2.715,59 4.631,60 3.708,61 4.746,62 15.862,63 10.406,64 17.334,65 5.444}
{0 CHEMBL138062,1 -0.126,2 -0.133,3 1,4 -0.089,5 11.378,6 2,9 1.001,13 1,14 0.615,16 2.051,18 0.88,19 1.194,20 0.718,26 5.561,27 0.815,28 1.104,29 3.994,30 3.94,31 3.829,32 4.24,34 0.863,35 6,36 2.096,37 3.904,38 4.003,39 5,40 1.119,41 4.41,42 3.379,43 1.832,44 3.495,45 2.737,46 2.006,47 3.551,49 -0.476,50 1.081,51 3,52 3.596,53 3.368,54 2.707,55 7,56 1.973,57 1.973,58 2.851,59 4.411,60 3.426,61 4.184,62 16.988,63 5.598,64 18.494,65 5}
{0 CHEMBL138340,1 -0.051,2 -0.108,3 1,4 0.015,5 9.034,6 2,9 0.993,13 1,14 0.364,16 2.04,18 1.159,19 1.123,20 1.54,26 5.975,27 1.092,28 1.433,29 3.902,30 3.943,31 3.871,32 5.046,34 1.572,35 2,36 2.045,37 4.014,38 5.012,39 1,40 1.407,41 5.31,42 4.136,43 1.387,44 3.655,45 3.002,46 2.075,47 3.111,49 -0.303,50 1.479,51 1,52 3.809,53 3.995,54 2.989,55 6,56 1.997,57 1.997,58 2.462,59 5.063,60 3.814,61 5.278,62 15.777,63 18.199,64 17.23,65 4.398}
{0 CHEMBL138391,1 -0.097,2 -0.116,3 1,4 -0.144,5 12.218,6 2,9 1.01,13 1,14 0.696,16 2.013,18 0.677,19 1.111,20 0.481,26 5.08,27 0.621,28 0.886,29 3.909,30 3.665,31 3.569,32 3.865,34 0.568,35 3,36 2.017,37 4.012,38 3.683,39 2,40 0.849,41 4.032,42 3.265,43 1.312,44 3.536,45 2.704,46 2.005,47 3.278,49 -0.135,50 0.875,51 1,52 3.547,53 3.158,54 2.391,55 7,56 1.776,57 1.776,58 2.607,59 4.004,60 3.394,61 3.857,62 16.712,63 4.744,64 18.218,65 5.602}
{0 CHEMBL138698,1 -0.171,2 -0.198,3 1,4 -0.136,5 21.555,6 3,9 1.107,13 1,14 0.621,16 2.049,18 0.88,19 1.212,20 1.026,26 5.688,27 0.821,28 1.107,29 3.941,30 3.709,31 3.656,32 4.539,34 1.09,35 2,36 2.048,37 3.853,38 4.471,39 2,40 1.062,41 4.753,42 3.775,43 1.107,44 3.819,45 2.698,46 2.061,47 3.11,49 -0.13,50 1.126,51 1,52 3.604,53 3.699,54 2.715,55 12,56 2.089,57 2.089,58 2.655,59 4.584,60 3.628,61 4.671,62 15.59,63 10.403,64 17.07,65 5.161}
{0 CHEMBL139143,1 -0.192,2 -0.167,3 1,4 -0.159,5 15.215,6 2,9 1.077,13 1,14 0.727,16 2.037,18 0.76,19 1.179,20 0.602,26 4.961,27 0.684,28 1.009,29 3.919,30 3.552,31 3.398,32 3.974,34 0.77,35 4,36 2.031,37 3.644,38 3.921,39 3,40 0.983,41 4.197,42 3.27,43 1.281,44 3.444,45 2.511,46 2.051,47 2.984,49 -0.059,50 1.017,51 1,52 3.222,53 3.162,54 2.51,55 8,56 1.546,57 1.546,58 2.362,59 4.24,60 3.017,61 4.144,62 16.689,63 6.27,64 18.2,65 5.456}
{0 CHEMBL139195,1 -0.124,2 -0.108,3 1,4 -0.08,5 16.925,6 2,9 0.996,13 1,14 0.762,16 2.018,18 0.691,19 1.108,20 0.54,26 4.847,27 0.623,28 0.927,29 3.917,30 3.479,31 3.308,32 3.862,34 0.657,35 4,36 2.017,37 3.577,38 3.778,39 3,40 0.891,41 4.076,42 3.171,43 1.089,44 3.382,45 2.361,46 2.028,47 2.942,49 -0.061,50 0.97,51 1,52 3.157,53 3.061,54 2.333,55 9,56 1.532,57 1.532,58 1.798,59 4.103,60 2.891,61 4.016,62 16.621,63 5.322,64 18.131,65 5}
{0 CHEMBL139665,1 0.012,2 0.004,3 2,4 0.019,5 14.012,6 2,9 0.927,13 1,14 0.593,16 2.015,18 0.901,19 1.008,20 0.895,26 5.656,27 0.829,28 1.131,29 3.923,30 3.779,31 3.689,32 4.411,34 0.92,35 5,36 2.021,37 3.838,38 4.336,39 3,40 1.121,41 4.604,42 3.644,43 1.241,44 3.553,45 2.742,46 2.006,47 3.591,49 -0.464,50 1.131,51 2,52 3.608,53 3.56,54 2.719,55 8,56 2.087,57 2.087,58 2.693,59 4.432,60 3.506,61 4.562,62 16.645,63 9.02,64 18.155,65 6.071}
{0 CHEMBL139833,1 -0.085,2 -0.031,3 1,4 -0.088,5 8.914,6 3,9 1.075,13 1,14 0.4,16 2.04,18 0.88,19 1.099,20 1.072,26 5.855,27 0.858,28 1.151,29 3.905,30 3.846,31 3.761,32 4.671,34 1.116,35 2,36 2.046,37 3.967,38 4.627,39 1,40 1.201,41 4.873,42 3.804,43 1.378,44 3.688,45 2.866,46 2.022,47 3.111,49 -0.352,50 1.115,51 1,52 3.71,53 3.753,54 2.785,55 6,56 2.091,57 2.091,58 2.785,59 4.706,60 3.741,61 4.824,62 15.78,63 10.817,64 17.232,65 5.678}
{0 CHEMBL139889,1 -0.199,2 -0.166,3 1,4 -0.197,5 15.155,6 2,9 1.114,13 1,14 0.727,16 2.028,18 0.787,19 1.179,20 0.581,26 5.088,27 0.73,28 1.022,29 3.936,30 3.446,31 3.292,32 3.96,34 0.628,35 3,36 2.024,37 3.614,38 3.788,39 2,40 1.028,41 4.163,42 3.222,43 1.121,44 3.456,45 2.645,46 2.047,47 3.013,50 1.034,51 1,52 3.186,53 3.119,54 2.586,55 8,56 1.764,57 1.764,58 2.568,59 4.031,60 2.992,61 4.009,62 16.619,63 5.706,64 18.133,65 5.824}
{0 CHEMBL140047,1 -0.093,2 -0.08,3 1,4 -0.071,5 12.652,6 2,9 0.987,13 1,14 0.64,16 2.014,18 0.889,19 1.143,20 0.856,26 5.428,27 0.821,28 1.113,29 3.922,30 3.817,31 3.69,32 4.383,34 0.963,35 4,36 2.022,37 3.855,38 4.145,39 3,40 1.12,41 4.621,42 3.492,43 1.632,44 3.454,45 2.737,46 2.005,47 3.157,49 -0.157,50 1.093,51 1,52 3.52,53 3.404,54 2.711,55 7,56 1.782,57 1.782,58 2.603,59 4.508,60 3.337,61 4.362,62 16.808,63 8.545,64 18.314,65 5}
{0 CHEMBL140220,1 -0.132,2 -0.108,3 1,4 -0.122,5 16.792,6 2,9 1.036,13 1,14 0.762,16 2.015,18 0.685,19 1.108,20 0.518,26 4.893,27 0.62,28 0.912,29 3.911,30 3.393,31 3.246,32 3.823,34 0.595,35 3,36 2.019,37 3.544,38 3.634,39 1,40 0.871,41 4.038,42 3.11,43 0.929,44 3.44,45 2.391,46 2.023,47 3.012,49 -0.004,50 0.979,51 1,52 3.082,53 2.994,54 2.348,55 9,56 1.531,57 1.531,58 2.188,59 3.977,60 2.853,61 3.865,62 16.581,63 5.189,64 18.1,65 6.276}
{0 CHEMBL140223,1 -0.153,2 -0.125,3 1,4 -0.166,5 13.661,6 2,9 1.072,13 1,14 0.727,16 2.014,18 0.685,19 1.134,20 0.545,26 5.095,27 0.622,28 0.914,29 3.911,30 3.482,31 3.363,32 3.898,34 0.624,35 3,36 2.019,37 3.624,38 3.744,39 1,40 0.875,41 4.086,42 3.146,43 1.121,44 3.446,45 2.405,46 2.006,47 3.014,49 -0.156,50 0.978,51 1,52 3.207,53 3.071,54 2.352,55 8,56 1.711,57 1.711,58 2.587,59 4.048,60 3.007,61 3.971,62 16.628,63 4.797,64 18.142,65 6.18}
{0 CHEMBL140337,1 -0.138,2 -0.048,3 1,4 -0.164,5 12.469,6 2,9 1.109,13 1,14 0.615,16 2.013,18 0.74,19 0.699,20 0.951,26 5.924,27 0.687,28 0.982,29 3.912,30 3.846,31 3.791,32 4.138,34 1.085,35 4,36 2.018,37 3.849,38 3.94,39 1,40 0.962,41 4.299,42 3.377,43 1.401,44 3.654,45 2.741,46 2.005,47 3.732,49 -0.366,50 0.975,51 1,52 3.682,53 3.328,54 2.636,55 8,56 2.179,57 2.179,58 3.011,59 4.245,60 3.6,61 4.13,62 16.656,63 5.302,64 18.163,65 5}
{0 CHEMBL140363,1 -0.119,2 -0.096,3 1,4 -0.129,5 14.61,6 2,9 1.04,13 1,14 0.696,16 2.014,18 0.787,19 1.124,20 0.635,26 5.211,27 0.72,28 1.009,29 3.917,30 3.556,31 3.445,32 4.072,34 0.719,35 3,36 2.02,37 3.678,38 3.884,39 2,40 0.975,41 4.268,42 3.271,43 1.161,44 3.452,45 2.565,46 2.006,47 3.016,49 -0.066,50 1.056,51 1,52 3.312,53 3.196,54 2.595,55 8,56 1.754,57 1.754,58 2.603,59 4.186,60 3.128,61 4.101,62 16.635,63 5.835,64 18.147,65 6.276}
{0 CHEMBL140537,1 -0.195,2 -0.163,3 1,4 -0.197,5 13.535,6 2,9 1.127,13 1,14 0.696,16 2.045,18 0.901,19 1.193,20 0.811,26 5.181,27 0.809,28 1.13,29 3.957,30 3.589,31 3.472,32 4.265,34 0.812,35 4,36 2.037,37 3.7,38 4.004,39 1,40 1.121,41 4.531,42 3.456,43 1.472,44 3.453,45 2.566,46 2.065,47 3.023,49 0.02,50 1.125,51 1,52 3.311,53 3.307,54 2.615,55 7,56 1.987,57 1.987,58 2.588,59 4.277,60 3.105,61 4.243,62 16.735,63 8.823,64 18.242,65 5.284}
{0 CHEMBL140662,1 -0.154,2 -0.145,3 1,4 -0.144,5 12.872,6 2,9 1.07,13 1,14 0.696,16 2.034,18 0.795,19 1.19,20 0.717,26 5.165,27 0.716,28 1.067,29 3.952,30 3.605,31 3.454,32 4.123,34 0.784,35 3,36 2.034,37 3.728,38 3.941,39 1,40 1.08,41 4.359,42 3.358,43 1.392,44 3.451,45 2.658,46 2.037,47 3.033,49 -0.06,50 1.057,51 1,52 3.3,53 3.243,54 2.572,55 7,56 1.716,57 1.716,58 2.597,59 4.234,60 3.111,61 4.172,62 16.784,63 6.929,64 18.29,65 5}
{0 CHEMBL140680,1 -0.14,2 -0.114,3 1,4 -0.136,5 15.188,6 2,9 1.055,13 1,14 0.727,16 2.029,18 0.722,19 1.128,20 0.641,26 5.02,27 0.655,28 0.961,29 3.937,30 3.518,31 3.354,32 4.04,34 0.713,35 3,36 2.026,37 3.636,38 3.778,39 1,40 0.924,41 4.281,42 3.289,43 1.201,44 3.443,45 2.489,46 2.047,47 3.02,49 0.012,50 1.018,51 1,52 3.193,53 3.154,54 2.473,55 8,56 1.534,57 1.534,58 2.563,59 4.133,60 2.982,61 3.989,62 16.685,63 6.981,64 18.196,65 5.319}
{0 CHEMBL140681,1 -0.079,2 -0.062,3 1,4 -0.084,5 10.652,6 2,9 1.008,13 1,14 0.593,16 2.014,18 0.934,19 1.16,20 0.994,26 5.687,27 0.87,28 1.144,29 3.927,30 3.931,31 3.822,32 4.597,34 1.068,35 2,36 2.023,37 3.963,38 4.351,39 3,40 1.121,41 4.832,42 3.634,43 1.863,44 3.472,45 2.782,46 2.005,47 3.325,49 -0.172,50 1.159,51 1,52 3.687,53 3.556,54 2.762,55 6,56 2.061,57 2.061,58 2.607,59 4.632,60 3.533,61 4.57,62 16.853,63 10.448,64 18.355,65 6.004}
{0 CHEMBL140774,1 -0.244,2 -0.301,3 1,4 -0.189,5 18.341,6 3,9 1.152,13 1,14 0.621,16 2.045,18 0.88,19 1.317,20 0.989,26 5.761,27 0.821,28 1.107,29 3.935,30 3.789,31 3.72,32 4.515,34 1.022,35 3,36 2.049,37 3.911,38 4.506,39 2,40 1.086,41 4.698,42 3.77,43 1.458,44 3.812,45 2.769,46 2.046,47 3.111,49 -0.389,50 1.112,51 1,52 3.668,53 3.721,54 2.732,55 11,56 2.089,57 2.089,58 2.704,59 4.551,60 3.697,61 4.697,62 15.862,63 9.329,64 17.334,65 5.495}
{0 CHEMBL140777,1 -0.156,2 -0.121,3 1,4 -0.174,5 14.862,6 2,9 1.06,13 1,14 0.727,16 2.013,18 0.68,19 1.111,20 0.506,26 4.938,27 0.624,28 0.891,29 3.908,30 3.622,31 3.474,32 3.834,34 0.586,35 2,36 2.018,37 3.889,38 3.657,39 2,40 0.851,41 4.032,42 3.203,43 1.121,44 3.763,45 2.687,46 2.005,47 3.015,49 -0.021,50 0.921,51 1,52 3.614,53 3.08,54 2.406,55 8,56 1.764,57 1.764,58 2.606,59 3.987,60 3.452,61 3.85,62 16.619,63 5.062,64 18.133,65 5.367}
{0 CHEMBL140778,1 -0.164,2 -0.114,3 1,4 -0.17,5 14.329,6 2,9 1.059,13 1,14 0.727,16 2.013,18 0.678,19 1.111,20 0.503,26 4.981,27 0.621,28 0.894,29 3.91,30 3.499,31 3.352,32 3.838,34 0.584,35 2,36 2.018,37 3.709,38 3.667,39 2,40 0.855,41 4.036,42 3.17,43 1.121,44 3.531,45 2.687,46 2.005,47 3.015,49 -0.058,50 0.933,51 1,52 3.349,53 3.064,54 2.39,55 8,56 1.764,57 1.764,58 2.606,59 3.991,60 3.159,61 3.86,62 16.619,63 5.032,64 18.133,65 5.301}
{0 CHEMBL140818,1 -0.082,2 -0.12,3 1,4 -0.088,5 11.199,6 2,9 0.967,13 1,14 0.696,16 2.013,18 0.677,19 1.112,20 0.577,26 5.136,27 0.617,28 0.897,29 3.919,30 3.898,31 3.57,32 3.859,34 0.709,35 3,36 2.018,37 3.873,38 3.716,39 1,40 0.861,41 4.048,42 3.178,43 1.472,44 3.462,45 2.646,46 2.005,47 3.1,49 -0.478,50 0.939,51 1,52 3.442,53 3.109,54 2.384,55 7,56 1.879,57 1.879,58 2.607,59 4.036,60 3.261,61 3.891,62 16.803,63 4.722,64 18.311,65 5}
{0 CHEMBL14087,1 -0.113,2 -0.058,4 -0.112,5 10.773,6 2,9 1.018,14 0.727,16 2.095,18 0.352,19 1.079,20 0.446,26 4.785,27 0.296,28 0.719,29 3.928,30 3.51,31 3.374,32 3.747,34 0.529,35 1,36 2.109,37 3.584,38 3.449,39 1,40 0.73,41 3.939,42 2.885,43 1.374,44 3.497,45 2.323,46 2.062,47 3.056,50 0.666,52 3.188,53 2.794,54 2.27,55 6,56 1.773,57 1.773,58 2.184,59 3.894,60 2.693,61 3.69,62 16.814,63 3.884,64 18.337,65 4.745}
{0 CHEMBL140873,1 -0.139,2 -0.063,3 1,4 -0.159,5 13.433,6 2,9 1.083,13 1,14 0.64,16 2.013,18 0.76,19 0.768,20 0.866,26 5.726,27 0.7,28 0.992,29 3.911,30 3.78,31 3.715,32 4.111,34 0.967,35 4,36 2.018,37 3.817,38 3.919,39 1,40 0.962,41 4.283,42 3.381,43 1.241,44 3.622,45 2.739,46 2.005,47 3.601,49 -0.239,50 1.021,51 1,52 3.6,53 3.301,54 2.625,55 8,56 1.985,57 1.985,58 3.011,59 4.223,60 3.495,61 4.117,62 16.637,63 5.669,64 18.149,65 5.678}
{0 CHEMBL140955,1 -0.151,2 -0.145,3 1,4 -0.124,5 11.668,6 2,9 1.047,13 1,14 0.64,16 2.07,18 0.844,19 1.19,20 0.718,26 5.387,27 0.79,28 1.081,29 4.009,30 3.795,31 3.623,32 4.15,34 0.785,35 5,36 2.102,37 3.842,38 3.998,39 2,40 1.103,41 4.359,42 3.366,43 1.472,44 3.549,45 2.733,46 2.044,47 3.6,49 -0.277,50 1.052,51 3,52 3.501,53 3.303,54 2.688,55 7,56 1.934,57 1.934,58 2.719,59 4.27,60 3.327,61 4.172,62 16.947,63 6.488,64 18.447,65 5}
{0 CHEMBL141007,1 -0.073,2 -0.062,3 1,4 -0.049,5 10.709,6 2,9 0.974,13 1,14 0.593,16 2.014,18 0.94,19 1.161,20 1.03,26 5.636,27 0.884,28 1.145,29 3.927,30 3.983,31 3.853,32 4.602,34 1.124,35 3,36 2.024,37 3.984,38 4.398,39 3,40 1.122,41 4.851,42 3.667,43 2.023,44 3.466,45 2.812,46 2.005,47 3.301,49 -0.201,50 1.163,51 1,52 3.692,53 3.572,54 2.785,55 6,56 2.019,57 2.019,58 2.627,59 4.697,60 3.526,61 4.623,62 16.915,63 11.09,64 18.419,65 5}
{0 CHEMBL141056,1 -0.151,2 -0.124,3 1,4 -0.145,5 11.176,6 2,9 1.079,13 1,14 0.615,16 2.037,18 0.891,19 1.207,20 0.941,26 5.596,27 0.838,28 1.103,29 3.929,30 3.874,31 3.758,32 4.534,34 1.048,35 2,36 2.032,37 3.915,38 4.327,39 4,40 1.083,41 4.771,42 3.599,43 1.823,44 3.473,45 2.769,46 2.051,47 3.324,49 -0.136,50 1.133,51 1,52 3.621,53 3.516,54 2.736,55 6,56 2.061,57 2.061,58 2.555,59 4.599,60 3.468,61 4.543,62 16.847,63 10.173,64 18.349,65 6.066}
{0 CHEMBL14113,1 -0.028,2 -0.077,4 0.017,5 12.993,6 3,9 0.882,14 0.85,16 2.118,18 0.272,19 1.059,20 0.473,26 4.875,27 0.202,28 0.688,29 3.866,30 3.514,31 3.168,32 3.551,34 0.508,35 3,36 2.131,37 3.589,38 3.309,39 1,40 0.672,41 3.755,42 2.787,43 1.049,44 3.353,45 2.24,46 2.088,47 2.824,50 0.655,52 2.912,53 2.723,54 2.101,55 8,56 1.674,57 1.674,58 2.151,59 3.729,60 2.738,61 3.549,62 16.82,63 3.451,64 18.367,65 4.398}
{0 CHEMBL14114,1 -0.02,2 -0.013,4 -0.028,5 12.682,6 3,9 0.925,14 0.85,16 2.119,18 0.273,19 0.997,20 0.533,26 4.977,27 0.203,28 0.687,29 3.866,30 3.404,31 3.214,32 3.578,34 0.579,35 3,36 2.13,37 3.551,38 3.309,39 1,40 0.673,41 3.774,42 2.784,43 1.089,44 3.387,45 2.234,46 2.092,47 2.844,50 0.655,52 3.086,53 2.736,54 2.099,55 8,56 1.767,57 1.767,58 2.051,59 3.758,60 2.754,61 3.549,62 16.655,63 3.107,64 18.191,65 4.398}
{0 CHEMBL141151,1 -0.2,2 -0.144,3 1,4 -0.173,5 11.205,6 2,9 1.108,13 1,14 0.64,16 2.019,18 0.692,19 0.911,20 0.883,26 5.486,27 0.629,28 0.921,29 3.948,30 3.736,31 3.632,32 4.015,34 0.944,35 3,36 2.026,37 3.831,38 4.006,39 1,40 0.888,41 4.196,42 3.246,43 1.338,44 3.492,45 2.516,46 2.014,47 3.591,49 -0.494,50 0.981,51 1,52 3.562,53 3.228,54 2.41,55 8,56 1.976,57 1.976,58 2.611,59 4.216,60 3.388,61 4.216,62 16.718,63 4.958,64 18.221,65 5.824}
{0 CHEMBL14120,1 -0.067,2 -0.113,4 -0.055,5 16.94,6 3,9 0.957,14 0.81,16 2.125,18 0.562,19 1.129,20 0.551,26 4.962,27 0.505,28 0.815,29 3.882,30 3.462,31 3.35,32 3.913,34 0.611,35 2,36 2.133,37 3.59,38 3.646,40 0.823,41 4.133,42 3.103,43 1.289,44 3.401,45 2.439,46 2.109,47 2.808,50 0.817,52 3.105,53 2.971,54 2.414,55 9,56 1.786,57 1.786,58 2.137,59 4.035,60 2.741,61 3.928,62 16.665,63 5.421,64 18.201,65 5.569}
{0 CHEMBL141235,1 -0.152,2 -0.15,3 1,4 -0.136,5 14.493,6 2,9 1.051,13 1,14 0.727,16 2.018,18 0.702,19 1.173,20 0.608,26 5.038,27 0.635,28 0.947,29 3.929,30 3.528,31 3.357,32 3.98,34 0.697,35 3,36 2.023,37 3.645,38 3.749,39 1,40 0.912,41 4.213,42 3.219,43 1.201,44 3.442,45 2.469,46 2.014,47 3.018,49 -0.113,50 1.002,51 1,52 3.2,53 3.104,54 2.408,55 8,56 1.534,57 1.534,58 2.538,59 4.095,60 2.989,61 3.968,62 16.685,63 6.217,64 18.196,65 5.174}
{0 CHEMBL141242,1 -0.1,2 -0.08,3 1,4 -0.107,5 12.554,6 2,9 1.023,13 1,14 0.64,16 2.014,18 0.871,19 1.142,20 0.759,26 5.412,27 0.808,28 1.089,29 3.922,30 3.729,31 3.581,32 4.285,34 0.874,35 2,36 2.022,37 3.83,38 4.075,39 2,40 1.095,41 4.504,42 3.413,43 1.472,44 3.465,45 2.726,46 2.005,47 3.165,49 -0.11,50 1.112,51 1,52 3.471,53 3.345,54 2.697,55 7,56 1.798,57 1.798,58 2.607,59 4.4,60 3.339,61 4.259,62 16.732,63 7.678,64 18.236,65 6.092}
{0 CHEMBL141270,1 -0.134,2 -0.128,3 1,4 -0.112,5 13.103,6 2,9 1.015,13 1,14 0.727,16 2.014,18 0.68,19 1.122,20 0.59,26 5.072,27 0.617,28 0.906,29 3.92,30 3.555,31 3.369,32 3.845,34 0.732,35 3,36 2.02,37 3.669,38 3.685,39 1,40 0.872,41 4.05,42 3.104,43 1.201,44 3.442,45 2.442,46 2.005,47 3.037,49 -0.363,50 0.957,51 1,52 3.221,53 3.032,54 2.358,55 8,56 1.534,57 1.534,58 2.594,59 4.014,60 3.013,61 3.896,62 16.685,63 4.885,64 18.196,65 6}
{0 CHEMBL141271,1 -0.193,2 -0.219,3 1,4 -0.156,5 15.508,6 3,9 1.128,13 1,14 0.581,16 2.043,18 0.88,19 1.251,20 1.09,26 5.888,27 0.821,28 1.107,29 3.941,30 3.856,31 3.766,32 4.647,34 1.124,35 2,36 2.048,37 3.99,38 4.586,39 2,40 1.086,41 4.843,42 3.825,43 1.569,44 3.833,45 2.77,46 2.043,47 3.111,49 -0.412,50 1.115,51 1,52 3.721,53 3.773,54 2.732,55 10,56 2.121,57 2.121,58 2.781,59 4.651,60 3.75,61 4.784,62 15.938,63 10.544,64 17.401,65 5.347}
{0 CHEMBL141316,1 -0.051,2 -0.049,3 1,4 -0.029,5 15.471,6 2,9 0.994,13 1,14 0.667,16 2.044,18 0.886,19 1.065,20 0.701,26 5.203,27 0.821,28 1.107,29 3.954,30 3.583,31 3.434,32 4.153,34 0.839,35 3,36 2.034,37 3.704,38 3.986,39 2,40 1.062,41 4.377,42 3.393,43 1.161,44 3.484,45 2.687,46 2.069,47 3.013,49 0.012,50 1.158,51 1,52 3.296,53 3.281,54 2.715,55 8,56 1.81,57 1.81,58 2.603,59 4.326,60 3.158,61 4.186,62 16.626,63 7.507,64 18.138,65 5}
{0 CHEMBL141317,1 -0.076,2 -0.065,3 1,4 -0.059,5 15.351,6 2,9 1.007,13 1,14 0.696,16 2.038,18 0.869,19 1.081,20 0.615,26 5.156,27 0.806,28 1.098,29 3.948,30 3.522,31 3.35,32 4.015,34 0.717,35 3,36 2.03,37 3.669,38 3.93,39 2,40 1.062,41 4.211,42 3.3,43 1.161,44 3.469,45 2.687,46 2.061,47 3.013,49 0.007,50 1.107,51 1,52 3.235,53 3.206,54 2.698,55 8,56 1.797,57 1.797,58 2.601,59 4.167,60 3.105,61 4.137,62 16.625,63 6.181,64 18.138,65 5}
{0 CHEMBL141508,1 -0.101,2 -0.08,3 1,4 -0.13,5 12.542,6 2,9 1.045,13 1,14 0.64,16 2.014,18 0.88,19 1.142,20 0.808,26 5.503,27 0.814,28 1.099,29 3.922,30 3.734,31 3.676,32 4.346,34 0.854,35 3,36 2.022,37 3.796,38 4.21,39 3,40 1.11,41 4.536,42 3.483,43 1.472,44 3.459,45 2.727,46 2.005,47 3.033,49 -0.127,50 1.089,51 1,52 3.547,53 3.417,54 2.701,55 7,56 2.061,57 2.061,58 2.604,59 4.399,60 3.361,61 4.457,62 16.7,63 7.336,64 18.207,65 6.092}
{0 CHEMBL141525,1 -0.177,2 -0.129,3 1,4 -0.18,5 14.42,6 2,9 1.093,13 1,14 0.727,16 2.017,18 0.69,19 1.153,20 0.601,26 5.056,27 0.624,28 0.921,29 3.929,30 3.477,31 3.355,32 3.925,34 0.672,35 3,36 2.022,37 3.619,38 3.82,39 1,40 0.881,41 4.137,42 3.192,43 1.121,44 3.449,45 2.413,46 2.014,47 3.013,49 -0.076,50 0.985,51 1,52 3.201,53 3.097,54 2.359,55 8,56 1.711,57 1.711,58 2.52,59 4.094,60 2.998,61 4.069,62 16.628,63 5.126,64 18.142,65 6.004}
{0 CHEMBL141904,1 -0.112,2 -0.097,3 1,4 -0.09,5 14.667,6 2,9 1.002,13 1,14 0.696,16 2.014,18 0.8,19 1.125,20 0.672,26 5.128,27 0.734,28 1.024,29 3.917,30 3.63,31 3.49,32 4.08,34 0.784,35 4,36 2.02,37 3.706,38 3.958,39 2,40 0.99,41 4.302,42 3.318,43 1.321,44 3.443,45 2.586,46 2.006,47 3.029,49 -0.095,50 1.06,51 1,52 3.319,53 3.219,54 2.612,55 8,56 1.547,57 1.547,58 2.593,59 4.286,60 3.117,61 4.185,62 16.696,63 6.514,64 18.206,65 5.889}
{0 CHEMBL142075,1 -0.094,2 -0.08,3 1,4 -0.093,5 12.557,6 2,9 1.009,13 1,14 0.64,16 2.014,18 0.869,19 1.143,20 0.785,26 5.359,27 0.807,28 1.084,29 3.922,30 3.77,31 3.644,32 4.26,34 0.885,35 3,36 2.022,37 3.821,38 4.256,39 2,40 1.1,41 4.465,42 3.485,43 1.632,44 3.457,45 2.728,46 2.005,47 3.048,49 -0.139,50 1.104,51 1,52 3.511,53 3.397,54 2.695,55 7,56 2.016,57 2.016,58 2.621,59 4.453,60 3.345,61 4.49,62 16.75,63 7.786,64 18.256,65 5.252}
{0 CHEMBL142088,1 -0.199,2 -0.166,3 1,4 -0.197,5 15.162,6 2,9 1.114,13 1,14 0.727,16 2.037,18 0.763,19 1.179,20 0.565,26 5.059,27 0.689,28 1.001,29 3.919,30 3.472,31 3.349,32 3.964,34 0.702,35 3,36 2.031,37 3.614,38 3.844,39 3,40 0.971,41 4.16,42 3.22,43 1.121,44 3.453,45 2.515,46 2.051,47 2.962,49 -0.03,50 1.034,51 1,52 3.214,53 3.138,54 2.518,55 8,56 1.739,57 1.739,58 2.368,59 4.135,60 3.029,61 4.057,62 16.628,63 5.593,64 18.14,65 5}
{0 CHEMBL142135,1 -0.162,2 -0.176,3 1,4 -0.133,5 17.261,6 4,9 1.105,13 1,14 0.545,16 2.106,18 0.88,19 1.212,20 1.24,26 5.924,27 0.858,28 1.151,29 3.978,30 3.974,31 3.874,32 4.748,34 1.277,35 3,36 2.094,37 4.084,38 4.722,39 2,40 1.201,41 4.945,42 3.963,43 1.902,44 3.835,45 2.913,46 2.13,47 3.133,49 -0.319,50 1.116,51 1,52 3.822,53 3.9,54 2.786,55 10,56 2.21,57 2.21,58 2.792,59 4.759,60 3.851,61 4.932,62 16.063,63 12.213,64 17.519,65 5.276}
{0 CHEMBL142146,1 -0.148,2 -0.15,3 1,4 -0.106,5 12.934,6 2,9 1.031,13 1,14 0.667,16 2.055,18 0.72,19 1.173,20 0.61,26 5.348,27 0.66,28 0.961,29 3.991,30 3.732,31 3.623,32 4.034,34 0.698,35 6,36 2.093,37 3.768,38 3.785,39 4,40 0.935,41 4.213,42 3.235,43 1.441,44 3.495,45 2.563,46 2.02,47 3.551,49 -0.414,50 0.996,51 3,52 3.406,53 3.201,54 2.52,55 8,56 1.796,57 1.796,58 2.613,59 4.134,60 3.23,61 3.968,62 16.863,63 4.942,64 18.367,65 5}
{0 CHEMBL14270,1 -0.073,2 -0.117,4 -0.073,5 10.513,6 3,9 0.958,14 0.63,16 2.111,18 0.799,19 1.178,20 0.806,26 5.544,27 0.747,28 1.009,29 3.9,30 3.862,31 3.8,32 4.381,34 0.915,35 3,36 2.124,37 3.91,38 4.269,39 4,40 0.977,41 4.539,42 3.52,43 1.857,44 3.519,45 2.626,46 2.082,47 3.201,50 1.063,52 3.718,53 3.49,54 2.621,55 6,56 2.017,57 2.017,58 2.683,59 4.456,60 3.494,61 4.452,62 16.942,63 6.691,64 18.464,65 5.26}
{0 CHEMBL14284,1 -0.055,2 -0.1,4 -0.064,5 14.65,6 3,9 0.966,14 0.739,16 2.125,18 0.713,19 1.144,20 0.608,26 5.109,27 0.665,28 0.905,29 3.888,30 3.584,31 3.449,32 4.028,34 0.709,35 1,36 2.133,37 3.719,38 3.885,39 1,40 0.896,41 4.224,42 3.227,43 1.52,44 3.419,45 2.55,46 2.105,47 2.896,50 0.923,52 3.27,53 3.139,54 2.571,55 8,56 1.967,57 1.967,58 2.536,59 4.198,60 3.022,61 4.133,62 16.706,63 5.669,64 18.235,65 4.398}
{0 CHEMBL14290,1 -0.119,2 -0.135,4 -0.12,5 15.244,6 3,9 1.059,14 0.708,16 2.127,18 0.804,19 1.205,20 0.841,26 5.317,27 0.74,28 1.02,29 3.92,30 3.678,31 3.589,32 4.307,34 0.899,35 3,36 2.135,37 3.775,38 4.135,40 0.98,41 4.548,42 3.472,43 1.64,44 3.435,45 2.548,46 2.108,47 3.01,50 1.083,52 3.405,53 3.353,54 2.574,55 8,56 1.967,57 1.967,58 2.544,59 4.382,60 3.195,61 4.393,62 16.73,63 8.108,64 18.257,65 6.076}
{0 CHEMBL14323,1 -0.106,2 -0.12,4 -0.106,5 14.432,6 3,9 0.98,14 0.773,16 2.121,18 0.558,19 1.133,20 0.456,26 4.837,27 0.502,28 0.817,29 3.886,30 3.604,31 3.541,32 3.77,34 0.563,35 1,36 2.126,37 3.749,38 3.673,39 1,40 0.813,41 3.954,42 3.084,43 1.48,44 3.609,45 2.44,46 2.099,47 2.912,50 0.811,52 3.185,53 2.995,54 2.408,55 8,56 1.948,57 1.948,58 2.544,59 3.999,60 3,61 3.889,62 16.699,63 4.602,64 18.229,65 4.398}
{0 CHEMBL14337,1 -0.039,2 -0.083,4 -0.045,5 12.613,6 3,9 0.953,14 0.68,16 2.122,18 0.808,19 1.161,20 0.856,26 5.494,27 0.742,28 1.028,29 3.888,30 3.81,31 3.71,32 4.401,34 0.938,35 3,36 2.134,37 3.865,38 4.193,39 2,40 0.99,41 4.624,42 3.507,43 1.911,44 3.458,45 2.613,46 2.095,47 3.026,50 1.087,52 3.553,53 3.423,54 2.633,55 7,56 1.973,57 1.973,58 2.505,59 4.464,60 3.365,61 4.403,62 16.837,63 8.612,64 18.365,65 5.367}
{0 CHEMBL143680,1 -0.103,2 -0.1,3 1,4 -0.099,5 14.18,6 2,9 1.058,13 1,14 0.533,16 2.03,18 1.099,19 1.175,20 1.15,26 5.553,27 1.011,28 1.361,29 3.978,30 4.001,31 3.864,32 4.703,34 1.215,35 2,36 2.032,37 4.025,38 4.6,40 1.33,41 4.957,42 3.795,43 1.873,44 3.642,45 2.909,46 2.025,47 3.33,49 0.652,50 1.421,51 1,52 3.757,53 3.679,54 2.883,55 7,56 2.061,57 2.061,58 2.806,59 4.762,60 3.577,61 4.874,62 16.923,63 12.812,64 18.428,65 5.433}
{0 CHEMBL143850,1 -0.103,2 -0.1,3 1,4 -0.099,5 14.18,6 2,9 1.058,13 1,14 0.533,16 2.03,18 1.099,19 1.175,20 1.15,26 5.553,27 1.011,28 1.361,29 3.978,30 4.001,31 3.864,32 4.703,34 1.215,35 2,36 2.032,37 4.025,38 4.6,40 1.33,41 4.957,42 3.795,43 1.873,44 3.642,45 2.909,46 2.025,47 3.33,49 0.652,50 1.421,51 1,52 3.757,53 3.679,54 2.883,55 7,56 2.061,57 2.061,58 2.806,59 4.762,60 3.577,61 4.874,62 16.923,63 12.812,64 18.428,65 6.201}
{0 CHEMBL14412,1 -0.055,2 -0.1,4 -0.064,5 14.655,6 3,9 0.966,14 0.739,16 2.125,18 0.741,19 1.144,20 0.69,26 5.256,27 0.684,28 0.945,29 3.888,30 3.616,31 3.525,32 4.144,34 0.745,35 3,36 2.133,37 3.719,38 3.941,40 0.92,41 4.36,42 3.3,43 1.6,44 3.414,45 2.541,46 2.104,47 2.93,50 0.992,52 3.321,53 3.203,54 2.573,55 8,56 1.966,57 1.966,58 2.484,59 4.236,60 3.105,61 4.185,62 16.715,63 6.598,64 18.244,65 6.131}
{0 CHEMBL14463,1 -0.116,2 -0.113,4 -0.111,5 15.133,6 3,9 1.032,13 2,14 0.68,16 2.102,18 0.692,19 1.118,20 0.588,23 2,24 2,25 2,26 5.083,27 0.653,28 0.902,29 3.931,30 3.55,31 3.434,32 3.989,34 0.646,35 3,36 2.112,37 3.693,38 3.882,39 4,40 0.875,41 4.169,42 3.283,43 1.395,44 3.578,45 2.526,46 2.082,47 3.014,50 0.961,51 1,52 3.337,53 3.215,54 2.501,55 8,56 1.971,57 1.971,58 2.244,59 4.059,60 3.138,61 4.067,62 16.751,63 5.231,64 18.286,65 5.638}
{0 CHEMBL14525,1 -0.055,2 -0.1,4 -0.04,5 14.871,6 3,9 0.943,14 0.739,16 2.123,18 0.764,19 1.144,20 0.726,26 5.269,27 0.709,28 0.968,29 3.883,30 3.686,31 3.568,32 4.227,34 0.81,35 2,36 2.134,37 3.756,38 3.972,39 2,40 0.94,41 4.454,42 3.35,43 1.6,44 3.447,45 2.596,46 2.1,47 2.996,50 1.019,52 3.386,53 3.242,54 2.611,55 8,56 1.799,57 1.799,58 2.243,59 4.308,60 3.096,61 4.203,62 16.793,63 7.468,64 18.327,65 4.745}
{0 CHEMBL14526,1 -0.073,2 -0.117,4 -0.073,5 10.539,6 3,9 0.958,14 0.63,16 2.111,18 0.808,19 1.178,20 0.776,26 5.404,27 0.741,28 1.032,29 3.9,30 3.871,31 3.765,32 4.325,34 0.892,35 1,36 2.124,37 3.91,38 4.262,39 5,40 0.992,41 4.498,42 3.496,43 1.777,44 3.523,45 2.587,46 2.082,47 3.202,50 1.095,52 3.662,53 3.438,54 2.617,55 6,56 1.981,57 1.981,58 2.666,59 4.455,60 3.401,61 4.482,62 16.941,63 7.34,64 18.462,65 4.398}
{0 CHEMBL14536,1 -0.09,2 -0.135,4 -0.065,5 12.698,6 3,9 0.955,14 0.68,16 2.112,18 0.738,19 1.164,20 0.653,26 5.235,27 0.696,28 0.922,29 3.895,30 3.745,31 3.63,32 4.155,34 0.788,35 2,36 2.123,37 3.805,38 3.964,39 4,40 0.907,41 4.34,42 3.324,43 1.466,44 3.511,45 2.549,46 2.087,47 3.165,50 0.943,52 3.506,53 3.257,54 2.551,55 7,56 1.965,57 1.965,58 2.259,59 4.289,60 3.198,61 4.155,62 16.896,63 6.296,64 18.422,65 4.854}
{0 CHEMBL14540,1 -0.184,2 -0.209,4 -0.151,5 11.161,6 2,9 1.027,14 0.727,16 2.09,18 0.342,19 1.206,20 0.416,26 4.7,27 0.29,28 0.714,29 3.829,30 3.594,31 3.527,32 3.65,34 0.505,35 1,36 2.102,37 3.671,38 3.339,39 1,40 0.714,41 3.802,42 2.93,43 1.374,44 3.519,45 2.323,46 2.057,47 3.056,50 0.665,52 3.304,53 2.805,54 2.228,55 6,56 1.773,57 1.773,58 2.184,59 3.821,60 2.903,61 3.559,62 16.814,63 3.408,64 18.337,65 5.658}
{0 CHEMBL14542,1 -0.072,2 -0.075,4 -0.1,5 10.19,6 2,9 0.986,14 0.727,16 2.092,18 0.339,19 1.095,20 0.387,26 4.79,27 0.286,28 0.715,29 3.859,30 3.515,31 3.387,32 3.671,34 0.47,35 3,36 2.106,37 3.588,38 3.36,39 2,40 0.724,41 3.823,42 2.806,43 1.374,44 3.493,45 2.238,46 2.059,47 3.056,50 0.665,52 3.191,53 2.747,54 2.144,55 6,56 1.773,57 1.773,58 2.184,59 3.842,60 2.708,61 3.577,62 16.814,63 3.092,64 18.337,65 4.638}
{0 CHEMBL14544,1 -0.071,2 -0.103,4 -0.07,5 22.385,6 4,9 0.977,14 0.742,16 2.114,18 0.886,19 1.104,20 0.831,26 5.361,27 0.821,28 1.107,29 3.942,30 3.836,31 3.768,32 4.351,34 0.888,35 1,36 2.124,37 3.957,38 4.135,39 3,40 1.062,41 4.547,42 3.59,43 1.697,44 3.754,45 2.687,46 2.09,47 3.093,50 1.137,52 3.671,53 3.501,54 2.715,55 12,56 2.184,57 2.184,58 2.669,59 4.417,60 3.397,61 4.343,62 16.872,63 8.234,64 18.404,65 4.398}
{0 CHEMBL14550,1 -0.038,2 -0.083,4 -0.022,5 12.669,6 3,9 0.931,14 0.68,16 2.126,18 0.727,19 1.161,20 0.961,26 5.521,27 0.683,28 0.951,29 3.897,30 3.868,31 3.716,32 4.507,34 0.979,35 2,36 2.133,37 3.898,38 4.29,39 1,40 0.918,41 4.766,42 3.572,43 1.991,44 3.379,45 2.573,46 2.111,47 3.138,50 1.004,52 3.533,53 3.471,54 2.597,55 7,56 2.012,57 2.012,58 2.555,59 4.535,60 3.449,61 4.519,62 16.857,63 10.634,64 18.372,65 4.398}
{0 CHEMBL14584,1 -0.097,2 -0.135,4 -0.106,5 12.698,6 3,9 0.994,14 0.68,16 2.113,18 0.725,19 1.163,20 0.56,26 5.093,27 0.693,28 0.904,29 3.895,30 3.655,31 3.522,32 3.991,34 0.669,35 1,36 2.123,37 3.779,38 3.88,39 3,40 0.894,41 4.149,42 3.215,43 1.546,44 3.521,45 2.555,46 2.089,47 3.062,50 0.921,52 3.406,53 3.165,54 2.536,55 7,56 1.976,57 1.976,58 2.572,59 4.15,60 3.131,61 4.081,62 16.837,63 4.905,64 18.365,65 4.398}
{0 CHEMBL14628,1 -0.063,2 -0.068,4 -0.081,5 12.997,6 3,9 0.968,14 0.773,16 2.124,18 0.536,19 1.076,20 0.603,26 5.089,27 0.486,28 0.791,29 3.889,30 3.53,31 3.313,32 3.808,34 0.68,36 2.133,37 3.676,38 3.707,39 1,40 0.83,41 3.983,42 3.036,43 1.32,44 3.408,45 2.53,46 2.103,47 2.903,50 0.777,52 3.251,53 3.002,54 2.421,55 8,56 1.814,57 1.814,58 2.564,59 4.014,60 3.019,61 3.921,62 16.697,63 4.127,64 18.226,65 4.398}
{0 CHEMBL14633,1 -0.139,2 -0.153,4 -0.121,5 17.442,6 3,9 1.052,14 0.773,16 2.13,18 0.756,19 1.187,20 0.712,26 5.079,27 0.695,28 0.96,29 3.92,30 3.535,31 3.374,32 4.112,34 0.769,35 2,36 2.134,37 3.654,38 3.962,40 0.928,41 4.361,42 3.332,43 1.249,44 3.387,45 2.499,46 2.118,47 2.995,50 1.015,52 3.204,53 3.205,54 2.57,55 9,56 1.678,57 1.678,58 2.184,59 4.207,60 3.05,61 4.212,62 16.655,63 7.173,64 18.182,65 5.824}
{0 CHEMBL14644,1 -0.066,2 -0.141,4 -0.072,5 12.483,6 3,9 0.955,14 0.708,16 2.11,18 0.52,19 1.143,20 0.475,26 5.049,27 0.487,28 0.749,29 3.889,30 3.786,31 3.614,32 3.896,34 0.55,35 2,36 2.12,37 3.864,38 3.668,39 2,40 0.778,41 4.047,42 3.192,43 1.426,44 3.529,45 2.421,46 2.083,47 3.21,50 0.686,52 3.575,53 3.101,54 2.287,55 7,56 1.951,57 1.951,58 2.256,59 3.999,60 3.182,61 3.861,62 16.887,63 4.42,64 18.414,65 6.051}
{0 CHEMBL14678,1 -0.058,2 -0.096,4 -0.066,5 8.618,6 3,9 0.956,14 0.586,16 2.111,18 0.891,19 1.193,20 1.047,26 5.673,27 0.835,28 1.108,29 3.905,30 4.021,31 3.922,32 4.622,34 1.068,35 3,36 2.124,37 4.04,38 4.415,39 3,40 1.121,41 4.857,42 3.676,43 2.408,44 3.535,45 2.809,46 2.08,47 3.354,50 1.111,52 3.773,53 3.603,54 2.782,55 5,56 2.061,57 2.061,58 2.589,59 4.635,60 3.615,61 4.625,62 17.025,63 11.049,64 18.542,65 4.398}
{0 CHEMBL14691,1 -0.142,2 -0.169,4 -0.156,5 10.705,6 3,9 1.042,14 0.63,16 2.109,18 0.737,19 1.183,20 0.59,26 5.23,27 0.707,28 0.905,29 3.923,30 3.716,31 3.595,32 4.05,34 0.641,35 2,36 2.12,37 3.836,38 3.907,39 3,40 0.91,41 4.193,42 3.255,43 1.652,44 3.542,45 2.472,46 2.082,47 3.311,50 0.88,52 3.52,53 3.241,54 2.425,55 6,56 1.976,57 1.976,58 2.615,59 4.115,60 3.299,61 4.072,62 16.931,63 4.478,64 18.45,65 5.959}
{0 CHEMBL14775,1 -0.029,2 -0.011,4 -0.032,5 14.305,6 3,9 0.915,14 0.81,16 2.12,18 0.543,19 1.054,20 0.522,26 4.945,27 0.48,28 0.811,29 3.865,30 3.465,31 3.363,32 3.847,34 0.606,35 4,36 2.131,37 3.599,38 3.579,39 2,40 0.812,41 4.061,42 3.023,43 1.289,44 3.4,45 2.437,46 2.094,47 2.808,50 0.812,52 3.108,53 2.917,54 2.39,55 8,56 1.786,57 1.786,58 2.137,59 3.99,60 2.742,61 3.851,62 16.665,63 4.496,64 18.201,65 4.398}
{0 CHEMBL14782,1 -0.08,2 -0.117,4 -0.111,5 10.557,6 3,9 0.996,14 0.63,16 2.111,18 0.755,19 1.178,20 0.847,26 5.522,27 0.714,28 0.951,29 3.9,30 3.843,31 3.791,32 4.377,34 0.85,35 4,36 2.123,37 3.886,38 4.282,39 2,40 0.923,41 4.569,42 3.525,43 2.017,44 3.525,45 2.579,46 2.084,47 3.123,50 1.004,52 3.651,53 3.462,54 2.567,55 6,56 2.061,57 2.061,58 2.555,59 4.403,60 3.466,61 4.505,62 16.898,63 7.904,64 18.421,65 6.208}
{0 CHEMBL14809,1 -0.052,2 -0.097,4 -0.03,5 8.609,6 3,9 0.92,14 0.586,16 2.11,18 0.902,19 1.193,20 1.057,26 5.668,27 0.85,28 1.118,29 3.905,30 4.065,31 3.949,32 4.649,34 1.143,35 2,36 2.124,37 4.06,38 4.432,39 5,40 1.133,41 4.883,42 3.7,43 2.248,44 3.53,45 2.856,46 2.079,47 3.357,50 1.118,52 3.814,53 3.623,54 2.817,55 5,56 1.983,57 1.983,58 2.722,59 4.699,60 3.609,61 4.637,62 17.079,63 11.441,64 18.597,65 4.398}
{0 CHEMBL14928,1 -0.088,2 -0.13,4 -0.099,5 13.65,6 3,9 0.993,14 0.773,16 2.124,18 0.564,19 1.155,20 0.575,26 5.114,27 0.51,28 0.819,29 3.882,30 3.513,31 3.396,32 3.974,34 0.621,35 1,36 2.133,37 3.667,38 3.747,40 0.839,41 4.177,42 3.138,43 1.48,44 3.411,45 2.444,46 2.104,47 2.841,50 0.817,52 3.223,53 3.044,54 2.423,55 8,56 1.966,57 1.966,58 2.441,59 4.066,60 2.906,61 4.002,62 16.701,63 5.184,64 18.231,65 5.252}
{0 CHEMBL14944,1 -0.024,2 -0.093,4 0.028,5 11.999,6 3,7 33.086,8 1,9 0.919,14 0.63,15 106.818,16 2.113,18 0.795,19 1.091,20 0.774,26 5.238,27 0.747,28 1,29 3.927,30 3.896,31 3.772,32 4.294,33 2,34 0.963,35 2,36 2.123,37 3.973,38 4.06,39 3,40 0.975,41 4.506,42 3.47,43 1.752,44 3.544,45 2.62,46 2.09,47 3.26,50 1.029,52 3.533,53 3.368,54 2.615,55 6,56 2.051,57 2.051,58 2.439,59 4.481,60 3.241,61 4.276,62 17.086,63 8.194,64 18.62,65 4.398}
{0 CHEMBL15011,1 -0.139,2 -0.153,4 -0.121,5 17.448,6 3,9 1.052,14 0.773,16 2.13,18 0.761,19 1.187,20 0.554,26 4.874,27 0.718,28 0.933,29 3.921,30 3.505,31 3.259,32 3.862,34 0.693,36 2.134,37 3.654,38 3.855,39 1,40 0.919,41 4.067,42 3.185,43 1.169,44 3.402,45 2.499,46 2.118,47 2.98,50 0.965,52 3.08,53 3.082,54 2.57,55 9,56 1.669,57 1.669,58 2.184,59 4.134,60 2.96,61 4.106,62 16.645,63 5.492,64 18.171,65 4.398}
{0 CHEMBL15050,1 -0.079,2 -0.117,4 -0.088,5 10.601,6 3,9 0.973,14 0.63,16 2.112,18 0.806,19 1.178,20 0.782,26 5.398,27 0.742,28 1.026,29 3.901,30 3.838,31 3.712,32 4.318,34 0.863,35 2,36 2.123,37 3.918,38 4.12,39 3,40 0.989,41 4.526,42 3.436,43 1.937,44 3.529,45 2.597,46 2.084,47 3.212,50 1.083,52 3.584,53 3.381,54 2.618,55 6,56 1.976,57 1.976,58 2.589,59 4.402,60 3.394,61 4.305,62 16.924,63 7.659,64 18.444,65 4.398}
{0 CHEMBL152280,1 0.136,2 0.179,3 5,4 0.128,5 1.658,6 1,7 134.246,8 2,9 0.855,10 1,11 2,12 2,13 7,14 0.182,15 112.393,16 2.012,17 1,18 1.156,19 0.916,20 1.897,21 117.985,22 1,23 3,24 3,25 4,26 6.359,27 1.077,28 1.444,29 3.799,30 4.402,31 4.399,32 5.212,33 1,34 2.062,35 14,36 2.02,37 4.38,38 5.113,39 11,40 1.406,41 5.426,42 4.338,43 2.751,44 3.657,45 3.052,46 2.004,47 3.643,48 1,49 1.673,50 1.496,51 5,52 4.378,53 4.223,54 2.955,55 1,56 2.232,57 2.232,58 3.327,59 5.286,60 4.328,61 5.334,62 16.459,63 20.835,64 17.932,65 5.658}
{0 CHEMBL152356,1 0.152,2 0.164,3 6,4 0.155,5 1.776,6 1,7 148.031,8 2,9 0.823,10 1,11 2,12 2,13 7,14 0.171,15 120.477,16 2.015,17 1,18 1.178,19 0.911,20 2.269,21 129.623,22 1,23 3,24 3,25 4,26 6.503,27 1.101,28 1.468,29 3.814,30 4.482,31 4.508,32 5.372,33 1,34 2.3,35 15,36 2.026,37 4.416,38 5.34,39 13,40 1.467,41 5.579,42 4.536,43 2.871,44 3.671,45 3.084,46 2.006,47 3.69,48 1,49 1.458,50 1.498,51 6,52 4.516,53 4.411,54 2.983,55 1,56 2.261,57 2.261,58 3.474,59 5.38,60 4.442,61 5.581,62 16.484,63 24.798,64 17.957,65 5.77}
{0 CHEMBL152446,1 0.064,2 0.132,3 5,4 0.073,5 2.039,6 1,7 121.331,8 2,9 0.857,10 1,11 2,12 2,13 7,14 0.194,15 99.561,16 2.015,17 1,18 1.158,19 0.909,20 2.164,21 106.503,22 1,23 3,24 3,25 4,26 6.095,27 1.08,28 1.438,29 3.794,30 4.476,31 4.479,32 5.2,33 1,34 2.211,35 10,36 2.025,37 4.43,38 5.041,39 6,40 1.365,41 5.443,42 4.479,43 2.791,44 3.8,45 3.077,46 2.006,47 3.97,49 4.743,50 1.491,51 5,52 4.466,53 4.244,54 2.911,55 1,56 2.205,57 2.205,58 3.502,59 5.238,60 4.446,61 5.293,62 16.482,63 24.504,64 17.956,65 5.854}
{0 CHEMBL152450,1 0.144,2 0.11,3 5,4 0.165,5 1.907,6 1,7 148.096,8 2,9 0.869,10 1,11 2,12 2,13 7,14 0.171,15 123.15,16 2.015,17 1,18 1.169,19 1.013,20 2.008,21 129.95,22 1,23 3,24 3,25 4,26 6.481,27 1.084,28 1.524,29 3.807,30 4.437,31 4.442,32 5.352,33 1,34 2.09,35 18,36 2.025,37 4.361,38 5.284,39 16,40 1.503,41 5.575,42 4.379,43 2.871,44 3.593,45 3.051,46 2.007,47 3.58,48 1,49 0.791,50 1.558,51 5,52 4.393,53 4.299,54 2.971,55 1,56 2.235,57 2.235,58 3.135,59 5.354,60 4.306,61 5.529,62 16.474,63 22.651,64 17.948,65 5.854}
{0 CHEMBL152554,1 0.04,2 0.072,3 6,4 0.059,5 10.468,6 2,7 169.679,8 2,9 0.879,10 1,11 2,12 2,13 8,14 0.308,15 132.374,16 2.026,17 1,18 1.159,19 0.97,20 2.288,21 147.848,22 1,23 3,24 3,25 4,26 6.547,27 1.088,28 1.448,29 3.927,30 4.536,31 4.562,32 5.358,33 1,34 2.292,35 17,36 2.035,37 4.494,38 5.295,39 15,40 1.452,41 5.549,42 4.559,43 2.982,44 3.829,45 3.11,46 2.023,47 3.709,48 1,49 1.196,50 1.497,51 6,52 4.58,53 4.466,54 3.029,55 6,56 2.446,57 2.446,58 3.469,59 5.358,60 4.546,61 5.491,62 16.577,63 23.384,64 18.054,65 5.357}
{0 CHEMBL152799,1 0.144,2 0.175,3 6,4 0.153,5 1.796,6 1,7 150.769,8 2,9 0.824,10 1,11 2,12 2,13 7,14 0.171,15 119.981,16 2.016,17 1,18 1.159,19 0.901,20 2.202,21 131.659,22 1,23 3,24 3,25 4,26 6.507,27 1.08,28 1.464,29 3.812,30 4.483,31 4.506,32 5.351,33 1,34 2.248,35 15,36 2.027,37 4.418,38 5.296,39 14,40 1.461,41 5.552,42 4.502,43 2.871,44 3.656,45 3.083,46 2.007,47 3.731,48 1,49 1.432,50 1.497,51 6,52 4.517,53 4.388,54 2.985,55 1,56 2.297,57 2.297,58 3.471,59 5.354,60 4.446,61 5.52,62 16.484,63 23.675,64 17.957,65 5.854}
{0 CHEMBL152800,1 0.11,2 0.104,3 5,4 0.171,5 1.728,6 1,7 161.853,8 2,9 0.842,10 1,11 2,12 2,13 7,14 0.167,15 126.76,16 2.013,17 1,18 1.179,19 0.966,20 1.961,21 140.965,22 1,23 3,24 4,25 4,26 6.503,27 1.102,28 1.49,29 3.801,30 4.497,31 4.521,32 5.278,33 1,34 2.077,35 17,36 2.025,37 4.432,38 5.184,39 16,40 1.51,41 5.459,42 4.383,43 2.791,44 3.638,45 3.104,46 2.004,47 3.779,48 1,49 1.048,50 1.498,51 6,52 4.522,53 4.304,54 3.003,55 1,56 2.283,57 2.283,58 3.334,59 5.304,60 4.423,61 5.381,62 16.479,63 19.71,64 17.954,65 5.678}
{0 CHEMBL153439,1 0.058,2 0.075,3 4,4 0.088,5 1.657,6 1,7 109.184,8 2,9 0.882,10 1,11 2,12 2,13 7,14 0.207,15 90.031,16 2.011,17 1,18 1.11,19 0.983,20 1.5,21 95.952,22 1,23 3,24 4,25 4,26 6.182,27 1.037,28 1.41,29 3.794,30 4.304,31 4.263,32 4.958,33 1,34 1.758,35 11,36 2.02,37 4.282,38 4.758,39 8,40 1.374,41 5.174,42 4.057,43 2.511,44 3.623,45 2.966,46 2.004,47 3.53,48 1,49 2,50 1.384,51 5,52 4.205,53 3.925,54 2.884,55 1,56 2.187,57 2.187,58 3.156,59 5.111,60 4.071,61 4.995,62 16.451,63 16.045,64 17.927,65 5.77}
{0 CHEMBL153454,1 0.046,2 0.06,3 4,4 0.088,5 1.694,6 1,7 98.625,8 2,9 0.886,10 1,11 2,12 2,13 7,14 0.222,15 80.28,16 2.011,17 1,18 0.923,19 1,20 1.358,21 86.573,22 1,23 3,24 3,25 4,26 5.916,27 0.829,28 1.277,29 3.79,30 4.221,31 4.138,32 4.849,33 1,34 1.602,35 8,36 2.02,37 4.233,38 4.625,39 5,40 1.267,41 5.091,42 3.926,43 2.511,44 3.596,45 2.839,46 2.004,47 3.523,48 1,49 2.242,50 1.257,51 4,52 4.026,53 3.75,54 2.789,55 1,56 2.18,57 2.18,58 3.098,59 5.011,60 3.813,61 4.889,62 16.448,63 15.191,64 17.924,65 4.495}
{0 CHEMBL154225,1 0.098,2 0.106,3 5,4 0.133,5 1.678,6 1,7 127.334,8 2,9 0.856,10 1,11 2,12 2,13 7,14 0.188,15 106.336,16 2.012,17 1,18 1.154,19 0.971,20 1.961,21 111.94,22 1,23 3,24 3,25 4,26 6.335,27 1.077,28 1.443,29 3.808,30 4.387,31 4.36,32 5.219,33 1,34 2.072,35 11,36 2.02,37 4.356,38 5.127,39 8,40 1.393,41 5.444,42 4.372,43 2.671,44 3.665,45 3.018,46 2.005,47 3.622,48 1,49 2.016,50 1.472,51 5,52 4.348,53 4.232,54 2.939,55 1,56 2.228,57 2.228,58 3.326,59 5.27,60 4.287,61 5.366,62 16.459,63 22.095,64 17.932,65 5.77}
{0 CHEMBL15450,1 -0.067,2 -0.045,4 -0.03,5 15.477,6 3,9 0.941,14 0.85,16 2.124,18 0.32,19 1.011,20 0.538,26 4.944,27 0.263,28 0.731,29 3.883,30 3.442,31 3.282,32 3.662,34 0.615,35 1,36 2.133,37 3.588,38 3.398,40 0.712,41 3.867,42 2.883,43 1.129,44 3.362,45 2.296,46 2.105,47 2.825,50 0.685,52 2.999,53 2.806,54 2.163,55 9,56 1.455,57 1.455,58 1.832,59 3.821,60 2.738,61 3.653,62 16.797,63 3.982,64 18.341,65 4.959}
{0 CHEMBL154628,1 -0.053,2 -0.047,3 3,4 -0.037,5 3.88,6 1,7 94.971,8 1,9 1.022,10 1,11 1,12 1,13 7,14 0.24,16 2.023,17 1,18 1.062,19 1.097,20 1.112,23 4,24 4,25 5,26 5.453,27 0.974,28 1.342,29 3.869,30 3.916,31 3.66,32 4.651,34 1.167,35 4,36 2.026,37 4.009,38 4.486,39 4,40 1.303,41 4.94,42 3.739,43 1.619,44 3.585,45 2.921,46 2.028,47 3.378,48 1,49 1.829,50 1.4,51 4,52 3.461,53 3.557,54 2.849,55 2,56 2.061,57 2.061,58 2.723,59 4.699,60 3.437,61 4.751,62 15.774,63 13.824,64 17.215,65 4.921}
{0 CHEMBL155335,1 0.071,2 0.083,3 4,4 0.118,5 1.735,6 1,7 103.617,8 2,9 0.873,10 1,11 2,12 2,13 7,14 0.214,15 84.947,16 2.012,17 1,18 1.129,19 0.988,20 1.544,21 91.025,22 1,23 3,24 3,25 4,26 6.009,27 1.042,28 1.422,29 3.794,30 4.27,31 4.21,32 4.982,33 1,34 1.812,35 8,36 2.02,37 4.264,38 4.788,39 5,40 1.374,41 5.217,42 4.082,43 2.511,44 3.611,45 2.917,46 2.005,47 3.528,48 1,49 2.554,50 1.462,51 4,52 4.129,53 3.907,54 2.875,55 1,56 2.186,57 2.186,58 3.125,59 5.134,60 3.957,61 5.047,62 16.45,63 17.257,64 17.926,65 5.638}
{0 CHEMBL155390,1 0.127,2 0.147,3 6,4 0.158,5 1.734,6 1,7 167.42,8 2,9 0.841,10 1,11 2,12 2,13 7,14 0.162,15 131.845,16 2.013,17 1,18 1.184,19 0.939,20 2.17,21 145.892,22 1,23 3,24 3,25 4,26 6.564,27 1.107,28 1.527,29 3.805,30 4.521,31 4.558,32 5.373,33 1,34 2.238,35 17,36 2.025,37 4.451,38 5.28,39 16,40 1.513,41 5.565,42 4.488,43 2.951,44 3.653,45 3.118,46 2.004,47 3.779,48 1,49 0.869,50 1.555,51 6,52 4.572,53 4.4,54 3.04,55 1,56 2.303,57 2.303,58 3.476,59 5.373,60 4.493,61 5.477,62 16.484,63 22.625,64 17.957,65 5.854}
{0 CHEMBL15634,1 -0.095,2 -0.14,4 -0.084,5 15.981,6 3,9 0.99,14 0.85,16 2.124,18 0.333,19 1.142,20 0.433,26 4.922,27 0.274,28 0.738,29 3.881,30 3.388,31 3.186,32 3.727,34 0.495,35 1,36 2.131,37 3.531,38 3.514,40 0.729,41 3.915,42 2.954,43 1.089,44 3.376,45 2.264,46 2.108,47 2.734,50 0.692,52 3.052,53 2.859,54 2.162,55 9,56 1.767,57 1.767,58 2,59 3.846,60 2.721,61 3.756,62 16.655,63 4.252,64 18.191,65 5.469}
{0 CHEMBL156612,1 0.128,2 0.185,3 5,4 0.198,5 1.724,6 1,7 173.149,8 2,9 0.806,10 1,11 2,12 2,13 7,14 0.158,15 135.553,16 2.016,17 1,18 1.205,19 0.936,20 2.575,21 150.784,22 1,23 3,24 3,25 4,26 6.659,27 1.152,28 1.537,29 3.816,30 4.666,31 4.697,32 5.534,33 1,34 2.541,35 16,36 2.02,37 4.582,38 5.471,39 16,40 1.52,41 5.74,42 4.673,43 3.191,44 3.873,45 3.163,46 2.002,47 3.593,48 1,49 1.633,50 1.573,51 6,52 4.714,53 4.538,54 3.083,55 1,56 2.44,57 2.44,58 3.37,59 5.467,60 4.655,61 5.679,62 16.66,63 27.786,64 18.118,65 5.387}
{0 CHEMBL156658,1 -0.036,2 -0.027,3 3,4 -0.04,5 3.839,6 1,7 94.971,8 1,9 1.044,10 1,11 1,12 1,13 7,14 0.24,16 2.023,17 1,18 1.062,19 1.121,20 1.039,23 4,24 4,25 5,26 5.479,27 0.973,28 1.342,29 3.874,30 3.856,31 3.622,32 4.658,34 1.113,35 5,36 2.026,37 3.922,38 4.492,39 5,40 1.303,41 4.947,42 3.687,43 1.619,44 3.37,45 2.864,46 2.028,47 3.377,48 1,49 1.161,50 1.4,51 4,52 3.41,53 3.536,54 2.83,55 2,56 2.061,57 2.061,58 2.555,59 4.706,60 3.386,61 4.756,62 15.774,63 13.124,64 17.215,65 5.066}
{0 CHEMBL156889,1 0.141,2 0.162,3 5,4 0.107,5 1.653,6 1,7 114.75,8 2,9 0.89,10 1,11 2,12 2,13 7,14 0.2,15 95.116,16 2.013,17 1,18 1.143,19 0.969,20 1.654,21 100.88,22 1,23 3,24 3,25 4,26 6.297,27 1.065,28 1.429,29 3.818,30 4.293,31 4.272,32 5.12,33 1,34 1.857,35 11,36 2.021,37 4.235,38 4.963,39 8,40 1.409,41 5.36,42 4.134,43 2.671,44 3.565,45 2.972,46 2.006,47 3.515,48 1,49 1.543,50 1.464,51 5,52 4.182,53 4.04,54 2.898,55 1,56 2.201,57 2.201,58 3.104,59 5.206,60 4.036,61 5.213,62 16.456,63 18.252,64 17.93,65 5.638}
{0 CHEMBL15706,1 -0.064,2 -0.113,4 -0.027,5 16.943,6 3,9 0.93,14 0.81,16 2.125,18 0.576,19 1.129,20 0.57,26 5.058,27 0.514,28 0.824,29 3.882,30 3.533,31 3.39,32 3.996,34 0.646,35 3,36 2.133,37 3.627,38 3.793,39 2,40 0.814,41 4.2,42 3.188,43 1.169,44 3.374,45 2.415,46 2.107,47 2.803,50 0.86,52 3.166,53 3.073,54 2.417,55 9,56 1.494,57 1.494,58 1.833,59 4.104,60 2.887,61 4.058,62 16.811,63 5.907,64 18.356,65 4.398}
{0 CHEMBL15831,1 -0.067,2 -0.113,4 -0.055,5 16.908,6 3,9 0.957,14 0.81,16 2.125,18 0.516,19 1.129,20 0.498,26 4.956,27 0.463,28 0.754,29 3.882,30 3.469,31 3.289,32 3.859,34 0.615,35 1,36 2.133,37 3.59,38 3.766,39 2,40 0.774,41 4.039,42 3.135,43 1.129,44 3.406,45 2.374,46 2.109,47 2.805,50 0.782,52 3.159,53 3.045,54 2.372,55 9,56 1.794,57 1.794,58 2.062,59 4.02,60 2.931,61 3.98,62 16.663,63 5.095,64 18.198,65 5.319}
{0 CHEMBL15845,1 -0.108,2 -0.125,4 -0.082,5 16.717,6 3,9 0.983,14 0.85,16 2.122,18 0.325,19 1.126,20 0.395,26 4.64,27 0.268,28 0.723,29 3.881,30 3.484,31 3.451,32 3.618,34 0.454,35 2,36 2.126,37 3.625,38 3.369,40 0.696,41 3.834,42 2.939,43 1.249,44 3.593,45 2.416,46 2.103,47 2.856,50 0.685,52 3.004,53 2.798,54 2.167,55 9,56 1.774,57 1.774,58 2.134,59 3.797,60 2.713,61 3.62,62 16.658,63 4.497,64 18.194,65 5.495}
{0 CHEMBL159,1 -0.025,2 -0.069,3 3,4 -0.015,5 12.183,6 5,9 1.052,14 0.239,15 378.166,16 2.099,18 1.443,19 1.22,20 6.592,21 384.89,22 2,23 2,24 2,25 2,26 7.455,27 1.403,28 1.698,29 4.146,30 5.362,31 5.473,32 6.463,33 2,34 6.707,35 32,36 2.098,37 5.143,38 6.437,39 34,40 1.701,41 6.687,42 5.583,43 8.033,44 3.847,45 3.37,46 2.101,47 4.362,49 -1.919,50 1.749,51 4,52 5.465,53 5.482,54 3.321,55 6,56 3.317,57 3.317,58 3.701,59 6.488,60 5.392,61 6.677,62 17.545,63 72.261,64 19.046,65 4}
{0 CHEMBL16098,1 -0.064,2 -0.071,4 -0.057,5 15.295,6 3,9 0.967,14 0.85,16 2.125,18 0.323,19 1.036,20 0.435,26 4.7,27 0.265,28 0.728,29 3.883,30 3.393,31 3.287,32 3.623,34 0.577,35 1,36 2.132,37 3.542,38 3.382,40 0.713,41 3.842,42 2.89,43 1.249,44 3.384,45 2.302,46 2.107,47 2.842,50 0.686,52 2.922,53 2.77,54 2.159,55 9,56 1.774,57 1.774,58 2.133,59 3.81,60 2.618,61 3.641,62 16.658,63 4.434,64 18.194,65 5.481}
{0 CHEMBL1627434,1 -0.061,2 -0.066,4 -0.042,5 4.288,6 3,9 1.09,13 2,14 0.214,16 2.155,18 0.977,19 1.125,20 1.326,23 2,24 2,25 2,26 5.688,27 0.899,28 1.265,29 3.928,30 3.957,31 3.796,32 4.863,34 1.618,36 2.138,37 4.069,38 4.729,40 1.231,41 5.13,42 3.984,43 2.044,44 3.543,45 2.796,46 2.185,47 3.33,50 1.327,51 1,52 3.66,53 3.805,54 2.754,55 2,56 1.951,57 1.951,58 2.392,59 5.075,60 3.524,61 4.994,62 15.823,63 16.227,64 17.251,65 4.398}
{0 CHEMBL1627436,1 -0.147,2 -0.149,3 1,4 -0.133,5 4.264,6 3,9 1.192,11 1,12 1,13 2,14 0.222,16 2.155,18 0.934,19 1.227,20 1.253,23 1,24 1,25 1,26 5.557,27 0.804,28 1.272,29 3.93,30 3.95,31 3.802,32 4.807,34 1.606,36 2.138,37 4.053,38 4.617,40 1.237,41 5.092,42 3.912,43 2.204,44 3.537,45 2.708,46 2.185,47 3.332,49 1.216,50 1.334,51 1,52 3.583,53 3.722,54 2.691,55 2,56 2.042,57 2.042,58 2.554,59 5.079,60 3.428,61 4.873,62 15.861,63 15.518,64 17.288,65 5.027}
{0 CHEMBL1627438,1 -0.053,2 -0.054,4 -0.041,5 4.055,6 3,9 1.09,14 0.222,16 2.15,18 0.897,19 1.125,20 1.174,26 5.631,27 0.804,28 1.243,29 3.909,30 3.944,31 3.793,32 4.805,34 1.492,35 3,36 2.134,37 4.07,38 4.638,39 3,40 1.209,41 5.066,42 3.85,43 2.044,44 3.461,45 2.731,46 2.179,47 3.36,50 1.309,52 3.633,53 3.687,54 2.691,55 2,56 1.95,57 1.95,58 2.452,59 5.055,60 3.436,61 4.904,62 15.783,63 14.194,64 17.207,65 5.377}
{0 CHEMBL1627439,1 -0.09,2 -0.093,4 -0.073,5 4.23,6 3,9 1.117,13 2,14 0.231,16 2.155,18 0.883,19 1.153,20 1.136,23 2,24 2,25 2,26 5.488,27 0.799,28 1.177,29 3.925,30 3.907,31 3.718,32 4.711,34 1.492,36 2.137,37 4.022,38 4.496,40 1.143,41 4.995,42 3.801,43 2.044,44 3.479,45 2.704,46 2.185,47 3.33,50 1.241,51 1,52 3.5,53 3.609,54 2.691,55 2,56 1.948,57 1.948,58 2.388,59 5,60 3.313,61 4.765,62 15.822,63 14.012,64 17.249,65 5.537}
{0 CHEMBL1627440,1 -0.04,2 -0.06,3 1,4 -0.073,5 4.195,6 3,9 1.029,14 0.222,16 2.147,18 0.877,19 1.071,20 1.22,26 5.555,27 0.794,28 1.167,29 3.905,30 4.294,31 4.341,32 4.755,34 1.693,35 6,36 2.127,37 4.498,38 4.326,39 4,40 1.132,41 5.045,42 3.92,43 2.324,44 3.778,45 2.757,46 2.175,47 3.557,49 -0.136,50 1.234,51 1,52 4.229,53 3.621,54 2.686,55 2,56 2.129,57 2.129,58 2.966,59 5.077,60 3.932,61 4.563,62 15.773,63 15.884,64 17.192,65 4.398}
{0 CHEMBL1627441,1 -0.044,2 -0.038,4 -0.062,5 4.038,6 3,9 1.107,14 0.222,16 2.15,18 0.934,19 1.113,20 1.175,26 5.574,27 0.804,28 1.27,29 3.91,30 3.96,31 3.827,32 4.796,34 1.531,35 3,36 2.135,37 4.072,38 4.642,39 3,40 1.237,41 5.066,42 3.856,43 2.204,44 3.479,45 2.709,46 2.179,47 3.37,50 1.329,52 3.612,53 3.692,54 2.691,55 2,56 2.042,57 2.042,58 2.542,59 5.095,60 3.453,61 4.891,62 15.788,63 14.367,64 17.212,65 5.319}
{0 CHEMBL1627442,1 -0.036,2 -0.034,4 -0.039,5 4.021,6 3,9 1.086,14 0.231,16 2.15,18 0.883,19 1.106,20 1.058,26 5.5,27 0.799,28 1.173,29 3.908,30 3.919,31 3.745,32 4.699,34 1.418,35 3,36 2.134,37 4.041,38 4.524,39 3,40 1.14,41 4.966,42 3.739,43 2.044,44 3.427,45 2.707,46 2.179,47 3.36,50 1.239,52 3.532,53 3.576,54 2.691,55 2,56 1.948,57 1.948,58 2.448,59 5.016,60 3.34,61 4.785,62 15.783,63 12.849,64 17.207,65 6.041}
{0 CHEMBL1627443,1 -0.056,2 -0.061,4 -0.037,5 4.426,6 3,9 1.098,14 0.214,16 2.157,18 0.987,19 1.133,20 1.412,26 5.708,27 0.909,28 1.271,29 3.931,30 3.97,31 3.809,32 4.944,34 1.685,36 2.14,37 4.077,38 4.842,40 1.235,41 5.22,42 4.041,43 2.044,44 3.531,45 2.8,46 2.188,47 3.346,50 1.335,52 3.672,53 3.849,54 2.766,55 2,56 1.951,57 1.951,58 2.419,59 5.135,60 3.54,61 5.125,62 15.783,63 17.454,64 17.207,65 4.398}
{0 CHEMBL1627445,1 -0.049,2 -0.022,4 -0.043,5 4.194,6 3,9 1.097,14 0.231,16 2.154,18 0.883,19 1.111,20 1.152,26 5.506,27 0.799,28 1.178,29 3.922,30 3.918,31 3.737,32 4.753,34 1.486,36 2.138,37 4.035,38 4.582,40 1.148,41 5.044,42 3.797,43 2.044,44 3.445,45 2.709,46 2.182,47 3.339,50 1.24,52 3.523,53 3.611,54 2.691,55 2,56 1.948,57 1.948,58 2.409,59 5.032,60 3.336,61 4.866,62 15.783,63 13.778,64 17.207,65 5.523}
{0 CHEMBL1627446,1 -0.12,2 -0.123,4 -0.103,5 4.385,6 3,9 1.175,14 0.222,16 2.158,18 0.934,19 1.21,20 1.337,26 5.586,27 0.804,28 1.285,29 3.933,30 3.959,31 3.813,32 4.893,34 1.649,36 2.14,37 4.061,38 4.743,40 1.239,41 5.186,42 3.973,43 2.204,44 3.52,45 2.717,46 2.188,47 3.349,50 1.352,52 3.595,53 3.769,54 2.691,55 2,56 2.042,57 2.042,58 2.443,59 5.124,60 3.446,61 5.02,62 15.788,63 16.706,64 17.212,65 4.398}
{0 CHEMBL1627838,1 -0.069,2 -0.073,4 -0.051,5 4.264,6 3,9 1.096,13 2,14 0.222,16 2.155,18 0.943,19 1.132,20 1.252,23 2,24 2,25 2,26 5.621,27 0.86,28 1.244,29 3.927,30 3.932,31 3.767,32 4.816,34 1.563,36 2.138,37 4.045,38 4.614,40 1.211,41 5.092,42 3.906,43 2.044,44 3.514,45 2.756,46 2.185,47 3.33,50 1.305,51 1,52 3.604,53 3.717,54 2.702,55 2,56 1.95,57 1.95,58 2.391,59 5.039,60 3.411,61 4.886,62 15.823,63 15.335,64 17.251,65 5.066}
{0 CHEMBL1627843,1 -0.075,2 -0.038,3 1,4 -0.097,5 3.838,6 3,9 1.138,14 0.222,16 2.153,18 0.883,19 1.124,20 1.127,26 5.615,27 0.799,28 1.178,29 3.921,30 3.963,31 3.827,32 4.734,34 1.47,35 2,36 2.137,37 4.062,38 4.537,39 2,40 1.147,41 5.01,42 3.774,43 2.204,44 3.499,45 2.71,46 2.181,47 3.546,49 -0.159,50 1.239,51 1,52 3.595,53 3.627,54 2.691,55 2,56 2.042,57 2.042,58 2.843,59 5.018,60 3.457,61 4.779,62 15.801,63 13.165,64 17.223,65 4.398}
{0 CHEMBL1628145,1 -0.097,2 -0.1,4 -0.08,5 4.127,6 3,9 1.118,13 2,14 0.24,16 2.154,18 0.883,19 1.153,20 1.018,23 1,24 1,25 1,26 5.441,27 0.799,28 1.168,29 3.921,30 3.864,31 3.625,32 4.605,34 1.379,36 2.137,37 3.999,38 4.357,40 1.131,41 4.886,42 3.676,43 1.964,44 3.442,45 2.688,46 2.185,47 3.329,50 1.237,51 1,52 3.41,53 3.482,54 2.691,55 2,56 1.944,57 1.944,58 2.383,59 4.913,60 3.181,61 4.644,62 15.812,63 12.503,64 17.238,65 5.62}
{0 CHEMBL175431,1 -0.102,2 -0.096,4 -0.106,5 17.547,6 3,9 1.045,13 2,14 0.68,16 2.14,18 0.883,19 1.082,20 0.773,23 2,24 2,25 2,26 5.183,27 0.839,28 1.13,29 3.934,30 3.644,31 3.436,32 4.259,34 0.892,35 3,36 2.133,37 3.779,38 4.128,39 2,40 1.129,41 4.504,42 3.494,43 1.44,44 3.475,45 2.773,46 2.152,47 3.123,50 1.137,51 1,52 3.256,53 3.371,54 2.749,55 9,56 2.089,57 2.089,58 2.356,59 4.401,60 3.237,61 4.335,62 16.686,63 9.187,64 18.208,65 4.796}
{0 CHEMBL175504,1 -0.098,2 -0.068,4 -0.114,5 14.451,6 2,9 1.085,13 2,14 0.615,16 2.059,18 1.024,19 1.128,20 0.969,23 2,24 2,25 2,26 5.293,27 0.938,28 1.281,29 3.95,30 3.764,31 3.545,32 4.511,34 1.027,35 4,36 2.057,37 3.845,38 4.319,39 4,40 1.233,41 4.797,42 3.634,43 1.533,44 3.487,45 2.816,46 2.064,47 3.09,50 1.355,51 1,52 3.35,53 3.479,54 2.82,55 7,56 2.061,57 2.061,58 2.482,59 4.563,60 3.305,61 4.563,62 16.862,63 11.944,64 18.374,65 5.699}
{0 CHEMBL180024,1 -0.12,2 -0.093,4 -0.107,5 17.409,6 3,9 1.052,13 2,14 0.63,16 2.145,18 0.969,19 1.1,20 0.848,23 2,24 2,25 2,26 5.455,27 0.908,28 1.18,29 4.007,30 3.85,31 3.717,32 4.384,34 0.975,35 7,36 2.136,37 3.887,38 4.13,39 5,40 1.148,41 4.62,42 3.524,43 1.96,44 3.552,45 2.81,46 2.166,47 3.17,50 1.175,51 3,52 3.437,53 3.433,54 2.798,55 9,56 2.141,57 2.141,58 2.428,59 4.511,60 3.342,61 4.313,62 16.777,63 9.085,64 18.275,65 4.886}
{0 CHEMBL18981,1 0.104,2 0.153,3 5,4 0.102,5 1.942,6 1,7 121.331,8 2,9 0.869,10 1,11 2,12 2,13 7,14 0.194,15 99.561,16 2.015,17 1,18 1.155,19 0.948,20 1.936,21 106.503,22 1,23 3,24 3,25 4,26 6.301,27 1.078,28 1.444,29 3.803,30 4.38,31 4.373,32 5.216,33 1,34 2.052,35 13,36 2.025,37 4.332,38 5.054,39 10,40 1.375,41 5.454,42 4.321,43 2.791,44 3.645,45 2.986,46 2.007,47 3.587,48 1,49 2.039,50 1.495,51 5,52 4.33,53 4.17,54 2.904,55 1,56 2.205,57 2.205,58 3.328,59 5.262,60 4.229,61 5.304,62 16.471,63 22.112,64 17.946,65 5.886}
{0 CHEMBL189905,1 -0.093,2 -0.084,4 -0.055,5 4.31,6 3,9 1.094,14 0.231,16 2.148,18 0.883,19 1.135,20 1.168,26 5.446,27 0.799,28 1.172,29 3.903,30 3.975,31 3.838,32 4.684,34 1.567,36 2.128,37 4.124,38 4.51,40 1.136,41 4.95,42 3.844,43 2.044,44 3.63,45 2.735,46 2.177,47 3.683,50 1.238,52 3.657,53 3.619,54 2.691,55 2,56 1.948,57 1.948,58 2.867,59 5.003,60 3.449,61 4.772,62 15.783,63 14.098,64 17.207,65 5}
{0 CHEMBL19531,1 0.089,2 0.102,3 4,4 0.138,5 2.013,6 1,7 110.199,8 2,9 0.866,10 1,11 2,12 2,13 7,14 0.207,15 89.392,16 2.015,17 1,18 1.155,19 0.987,20 1.771,21 96.648,22 1,23 3,24 3,25 4,26 6.055,27 1.077,28 1.444,29 3.799,30 4.32,31 4.279,32 5.124,33 1,34 1.948,35 10,36 2.025,37 4.293,38 4.956,39 7,40 1.375,41 5.372,42 4.218,43 2.631,44 3.616,45 2.98,46 2.007,47 3.54,48 1,49 2.718,50 1.495,51 4,52 4.194,53 4.031,54 2.902,55 1,56 2.197,57 2.197,58 3.137,59 5.206,60 4.031,61 5.232,62 16.466,63 20.429,64 17.942,65 5.886}
{0 CHEMBL20289,1 -0.095,2 -0.147,4 -0.102,5 13.036,6 2,9 1.024,14 0.667,16 2.089,18 0.734,19 1.178,20 0.581,26 5.433,27 0.677,28 0.956,29 4,30 3.925,31 3.811,32 3.978,34 0.669,35 4,36 2.066,37 4.034,38 3.979,39 2,40 0.936,41 4.101,42 3.34,43 1.276,44 3.723,45 2.687,46 2.007,47 3.293,50 0.934,51 2,52 3.729,53 3.285,54 2.381,55 8,56 1.654,57 1.654,58 2.654,59 4.173,60 3.529,61 4.182,62 17.592,63 4.527,64 19.141,65 4.854}
{0 CHEMBL20705,1 -0.12,2 -0.142,4 -0.148,5 13.043,6 2,9 1.068,14 0.667,16 2.086,18 0.73,19 1.173,20 0.585,26 5.257,27 0.678,28 0.941,29 4,30 3.98,31 3.972,32 3.968,34 0.663,35 2,36 2.061,37 3.978,38 3.99,39 6,40 0.921,41 4.103,42 3.342,43 1.427,44 3.721,45 2.686,46 1.987,47 3.188,50 0.926,51 2,52 3.795,53 3.271,54 2.381,55 8,56 2.025,57 2.025,58 2.671,59 4.186,60 3.379,61 4.18,62 17.524,63 4.517,64 19.069,65 5.155}
{0 CHEMBL20827,1 -0.058,2 -0.129,4 -0.08,5 12.962,6 2,9 1.002,14 0.667,16 2.086,18 0.715,19 1.161,20 0.581,26 5.433,27 0.681,28 0.909,29 4,30 3.989,31 3.752,32 3.978,34 0.674,35 4,36 2.061,37 4.026,38 3.979,39 2,40 0.895,41 4.101,42 3.34,43 1.472,44 3.722,45 2.512,46 1.986,47 3.285,50 0.884,51 2,52 3.723,53 3.285,54 2.382,55 8,56 1.87,57 1.87,58 2.626,59 4.168,60 3.529,61 4.182,62 17.582,63 4.527,64 19.131,65 4.854}
{0 CHEMBL241993,1 -0.129,2 -0.132,4 -0.113,5 4.23,6 3,9 1.168,14 0.25,16 2.155,18 0.883,19 1.206,20 0.963,26 5.351,27 0.799,28 1.164,29 3.918,30 3.795,31 3.56,32 4.599,34 1.307,36 2.137,37 3.965,38 4.241,40 1.123,41 4.906,42 3.577,43 1.924,44 3.406,45 2.653,46 2.186,47 3.336,50 1.236,52 3.309,53 3.36,54 2.671,55 2,56 1.935,57 1.935,58 2.393,59 4.885,60 3.031,61 4.538,62 15.755,63 12.006,64 17.176,65 4.77}
{0 CHEMBL242428,1 -0.063,2 -0.067,4 -0.043,5 4.402,6 3,9 1.104,14 0.222,16 2.157,18 0.957,19 1.14,20 1.336,26 5.643,27 0.873,28 1.258,29 3.93,30 3.943,31 3.779,32 4.901,34 1.609,36 2.14,37 4.053,38 4.74,40 1.224,41 5.186,42 3.968,43 2.044,44 3.499,45 2.761,46 2.188,47 3.346,50 1.319,52 3.616,53 3.765,54 2.709,55 2,56 1.95,57 1.95,58 2.418,59 5.086,60 3.429,61 5.031,62 15.783,63 16.544,64 17.207,65 4.398}
{0 CHEMBL265926,1 -0.063,2 -0.118,4 -0.085,5 4.209,6 3,9 1.038,14 0.25,16 2.147,18 0.713,19 1.121,20 0.846,26 5.213,27 0.668,28 1.003,29 3.901,30 4.164,31 4.161,32 4.352,34 1.31,36 2.126,37 4.441,38 3.923,40 1.008,41 4.623,42 3.641,43 1.924,44 3.767,45 2.694,46 2.175,47 3.359,50 1.012,52 4.082,53 3.307,54 2.583,55 2,56 1.935,57 1.935,58 2.423,59 4.798,60 3.761,61 4.159,62 15.755,63 11.085,64 17.176,65 5.319}
{0 CHEMBL273758,1 -0.098,2 -0.116,4 -0.097,5 13.183,6 3,9 1.047,14 0.654,16 2.125,18 0.934,19 1.223,20 0.999,26 5.542,27 0.804,28 1.156,29 3.921,30 3.862,31 3.764,32 4.529,34 1.085,35 3,36 2.136,37 3.914,38 4.347,39 2,40 1.166,41 4.771,42 3.649,43 1.951,44 3.474,45 2.615,46 2.1,47 3.057,50 1.158,52 3.62,53 3.545,54 2.636,55 7,56 1.975,57 1.975,58 2.576,59 4.582,60 3.435,61 4.574,62 16.851,63 10.072,64 18.377,65 4.824}
{0 CHEMBL273990,1 -0.102,2 -0.146,4 -0.087,5 15.162,6 3,9 0.992,14 0.778,16 2.101,18 0.755,19 1.144,20 0.659,26 5.205,27 0.689,28 0.986,29 4.039,30 3.757,31 3.612,32 4.092,34 0.728,35 3,36 2.113,37 3.843,38 3.95,39 3,40 0.944,41 4.261,42 3.367,43 1.511,44 3.548,45 2.451,46 2.078,47 3.172,50 1.052,52 3.535,53 3.311,54 2.353,55 8,56 1.975,57 1.975,58 2.327,59 4.173,60 3.258,61 4.149,62 17.349,63 5.123,64 18.885,65 5.886}
{0 CHEMBL275872,1 -0.158,2 -0.164,4 -0.159,5 13.278,6 3,9 1.08,14 0.654,16 2.116,18 0.806,19 1.217,20 0.803,26 5.306,27 0.75,28 1.019,29 3.927,30 3.742,31 3.653,32 4.278,34 0.86,35 3,36 2.126,37 3.832,38 4.131,39 2,40 0.983,41 4.494,42 3.463,43 1.666,44 3.53,45 2.549,46 2.094,47 3.088,50 1.079,52 3.525,53 3.374,54 2.57,55 7,56 1.976,57 1.976,58 2.585,59 4.343,60 3.288,61 4.353,62 16.858,63 7.47,64 18.384,65 6.155}
{0 CHEMBL276340,1 -0.067,2 -0.113,4 -0.055,5 16.837,6 3,9 0.957,14 0.81,16 2.128,18 0.576,19 1.129,20 0.551,26 5.001,27 0.515,28 0.828,29 3.887,30 3.462,31 3.294,32 3.91,34 0.611,35 2,36 2.132,37 3.59,38 3.727,40 0.827,41 4.13,42 3.131,43 1.209,44 3.355,45 2.44,46 2.115,47 2.904,50 0.865,52 3.1,53 3.029,54 2.421,55 9,56 1.564,57 1.564,58 2.184,59 4.029,60 2.945,61 3.957,62 16.639,63 5.718,64 18.168,65 5.854}
{0 CHEMBL276535,1 -0.095,2 -0.14,4 -0.084,5 16.026,6 3,9 0.99,14 0.85,16 2.124,18 0.336,19 1.142,20 0.432,26 4.704,27 0.279,28 0.757,29 3.881,30 3.381,31 3.26,32 3.69,34 0.515,35 1,36 2.131,37 3.531,38 3.405,40 0.758,41 3.92,42 2.933,43 1.249,44 3.372,45 2.313,46 2.108,47 2.744,50 0.69,52 2.922,53 2.799,54 2.17,55 9,56 1.774,57 1.774,58 2.106,59 3.872,60 2.606,61 3.655,62 16.658,63 4.953,64 18.194,65 4.796}
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{0 CHEMBL277048,1 -0.059,2 -0.102,3 2,4 -0.031,5 17.665,6 3,9 0.945,10 1,13 3,14 0.6,16 2.088,18 0.579,19 1.102,20 0.486,23 1,24 1,25 2,26 4.733,27 0.52,28 0.794,29 3.876,30 3.482,31 3.3,32 3.787,34 0.723,35 4,36 2.09,37 3.573,38 3.345,39 2,40 0.752,41 4.051,42 2.98,43 1.289,44 3.382,45 2.412,46 2.083,47 3.109,49 1.016,50 0.866,51 2,52 2.944,53 2.805,54 2.429,55 9,56 1.482,57 1.482,58 2.048,59 4.186,60 2.519,61 3.63,62 15.744,63 5.9,64 17.224,65 4.398}
{0 CHEMBL277998,1 0.086,2 0.136,3 5,4 0.082,5 1.664,6 1,7 114.75,8 2,9 0.877,10 1,11 2,12 2,13 7,14 0.2,15 95.116,16 2.012,17 1,18 1.143,19 0.948,20 1.709,21 100.88,22 1,23 3,24 3,25 4,26 6.265,27 1.065,28 1.429,29 3.798,30 4.333,31 4.31,32 5.087,33 1,34 1.915,35 11,36 2.02,37 4.304,38 4.902,39 8,40 1.375,41 5.313,42 4.199,43 2.671,44 3.642,45 2.98,46 2.004,47 3.584,48 1,49 1.848,50 1.464,51 5,52 4.273,53 4.062,54 2.898,55 1,56 2.201,57 2.201,58 3.324,59 5.193,60 4.169,61 5.133,62 16.456,63 18.895,64 17.93,65 5.699}
{0 CHEMBL278474,1 -0.092,2 -0.159,4 -0.042,5 11.911,6 4,9 0.965,14 0.654,16 2.157,18 0.698,19 1.15,20 0.628,26 5.114,27 0.635,28 0.922,29 3.921,30 3.792,31 3.618,32 4.099,34 0.761,35 2,36 2.161,37 3.888,38 3.871,39 3,40 0.876,41 4.284,42 3.296,43 1.862,44 3.523,45 2.523,46 2.15,47 3.272,50 1,52 3.436,53 3.219,54 2.534,55 6,56 2.041,57 2.041,58 2.401,59 4.248,60 3.136,61 4.075,62 17.092,63 6.032,64 18.628,65 4.398}
{0 CHEMBL279142,1 -0.097,2 -0.135,4 -0.106,5 12.707,6 3,9 0.994,14 0.68,16 2.113,18 0.748,19 1.163,20 0.645,26 5.243,27 0.698,28 0.946,29 3.895,30 3.684,31 3.593,32 4.11,34 0.703,35 3,36 2.123,37 3.779,38 3.937,39 2,40 0.922,41 4.295,42 3.289,43 1.626,44 3.518,45 2.542,46 2.089,47 3.073,50 0.991,52 3.45,53 3.228,54 2.558,55 7,56 1.975,57 1.975,58 2.51,59 4.19,60 3.207,61 4.136,62 16.845,63 5.898,64 18.372,65 6.244}
{0 CHEMBL279539,1 -0.064,2 -0.071,4 -0.057,5 15.238,6 3,9 0.967,14 0.85,16 2.125,18 0.325,19 1.036,20 0.538,26 4.939,27 0.266,28 0.734,29 3.883,30 3.401,31 3.199,32 3.662,34 0.583,35 1,36 2.132,37 3.542,38 3.415,40 0.713,41 3.867,42 2.883,43 1.089,44 3.388,45 2.264,46 2.107,47 2.844,50 0.678,52 3.083,53 2.806,54 2.157,55 9,56 1.767,57 1.767,58 2.051,59 3.815,60 2.738,61 3.662,62 16.655,63 3.982,64 18.191,65 5.432}
{0 CHEMBL279811,1 -0.158,2 -0.164,4 -0.159,5 13.283,6 3,9 1.08,14 0.654,16 2.116,18 0.886,19 1.217,20 0.65,26 5.144,27 0.804,28 1.107,29 3.928,30 3.719,31 3.567,32 4.07,34 0.781,35 1,36 2.125,37 3.832,38 4.042,39 3,40 1.062,41 4.242,42 3.335,43 1.586,44 3.536,45 2.56,46 2.094,47 3.07,50 1.121,52 3.436,53 3.271,54 2.57,55 7,56 1.977,57 1.977,58 2.623,59 4.28,60 3.218,61 4.263,62 16.85,63 5.744,64 18.375,65 4.398}
{0 CHEMBL280099,1 -0.111,2 -0.15,4 -0.085,5 11.114,6 3,9 0.98,14 0.708,16 2.112,18 0.519,19 1.135,20 0.633,26 5.181,27 0.484,28 0.752,29 3.898,30 3.677,31 3.531,32 3.911,34 0.676,35 2,36 2.123,37 3.771,38 3.684,39 2,40 0.783,41 4.077,42 3.081,43 1.426,44 3.51,45 2.373,46 2.086,47 3.2,50 0.688,52 3.438,53 3.049,54 2.286,55 7,56 1.951,57 1.951,58 2.248,59 4.01,60 3.051,61 3.889,62 16.887,63 4.018,64 18.414,65 6.071}
{0 CHEMBL280101,1 -0.066,2 -0.006,4 -0.058,5 14.089,6 3,9 0.948,14 0.85,16 2.116,18 0.272,19 1.029,20 0.376,26 4.617,27 0.205,28 0.682,29 3.863,30 3.487,31 3.463,32 3.528,34 0.457,35 4,36 2.123,37 3.632,38 3.279,39 2,40 0.664,41 3.735,42 2.845,43 1.249,44 3.588,45 2.408,46 2.086,47 2.856,50 0.659,52 3.008,53 2.733,54 2.11,55 8,56 1.774,57 1.774,58 2.134,59 3.739,60 2.714,61 3.513,62 16.658,63 3.514,64 18.194,65 4.398}
{0 CHEMBL280959,1 -0.091,2 -0.138,4 -0.106,5 15.356,6 2,9 1.049,14 0.696,16 2.09,18 0.735,19 1.172,20 0.598,26 5.201,27 0.677,28 0.959,29 4,30 3.795,31 3.657,32 3.956,34 0.687,35 4,36 2.067,37 3.854,38 3.967,39 4,40 0.938,41 4.105,42 3.28,43 1.156,44 3.72,45 2.404,46 2.016,47 3.07,50 0.938,51 2,52 3.512,53 3.206,54 2.379,55 9,56 1.621,57 1.621,58 2.194,59 4.158,60 3.161,61 4.183,62 17.487,63 4.849,64 19.032,65 4.854}
{0 CHEMBL281995,1 -0.12,2 -0.142,4 -0.148,5 13.201,6 2,9 1.068,14 0.667,16 2.09,18 0.73,19 1.173,20 0.581,26 5.433,27 0.678,28 0.948,29 4,30 3.916,31 3.873,32 3.978,34 0.664,35 4,36 2.067,37 3.978,38 3.979,39 4,40 0.929,41 4.101,42 3.34,43 1.396,44 3.723,45 2.687,46 2.016,47 3.204,50 0.928,51 2,52 3.735,53 3.285,54 2.386,55 8,56 1.821,57 1.821,58 2.676,59 4.178,60 3.529,61 4.182,62 17.539,63 4.527,64 19.086,65 4.553}
{0 CHEMBL28250,2 0.001,4 0.015,5 11.574,6 2,9 0.967,14 0.571,16 2.054,18 0.813,19 1.091,20 0.785,26 5.214,27 0.758,28 0.978,29 3.793,30 3.702,31 3.533,32 4.397,34 0.94,35 6,36 2.058,37 3.718,38 4.093,39 5,40 0.955,41 4.681,42 3.36,43 1.387,44 3.178,45 2.609,46 2.053,47 2.899,50 1.011,52 3.275,53 3.195,54 2.642,55 6,56 1.511,57 1.511,58 2.362,59 4.543,60 3.036,61 4.366,62 16.075,63 9.798,64 17.56,65 4.903}
{0 CHEMBL282958,1 -0.082,2 -0.085,4 -0.073,5 7.552,6 2,9 1.072,14 0.333,16 2.112,18 0.524,19 1.123,20 0.429,23 2,24 2,25 2,26 5.137,27 0.453,28 0.834,29 3.832,30 3.446,31 3.321,32 3.88,34 0.611,35 8,36 2.125,37 3.471,38 3.514,39 5,40 0.792,41 4.121,42 2.773,43 0.804,44 3.437,45 2.342,46 2.113,47 3.125,50 0.852,51 3,52 3.045,53 2.675,54 2.33,55 4,56 1.302,57 1.302,58 2.143,59 4.176,60 2.701,61 3.822,62 14.959,63 4.916,64 16.37,65 4}
{0 CHEMBL282984,1 0.118,2 0.145,3 5,4 0.073,5 1.947,6 1,7 96.433,8 2,9 0.895,10 1,11 2,12 2,13 7,14 0.194,15 77.793,16 1.994,17 1,18 1.116,19 0.955,20 1.49,21 84.968,22 1,23 3,24 3,25 4,26 6.225,27 1.051,28 1.44,29 3.827,30 4.271,31 4.259,32 5.035,33 1,34 1.73,35 14,36 1.998,37 4.213,38 4.802,39 12,40 1.428,41 5.254,42 4.027,43 2.471,44 3.562,45 2.933,46 1.995,47 3.529,48 1,49 1.341,50 1.426,51 5,52 4.184,53 3.964,54 2.859,55 1,56 2.201,57 2.201,58 3.161,59 5.139,60 4.019,61 5.019,62 16.484,63 16.16,64 17.959,65 5.678}
{0 CHEMBL283411,1 -0.041,2 -0.051,4 0.004,5 3.576,6 2,9 1.022,14 0.273,16 2.108,18 0.73,19 1.181,20 0.877,23 2,24 2,25 2,26 5.69,27 0.674,28 1.046,29 3.843,30 3.906,31 3.802,32 4.65,34 1.045,35 9,36 2.127,37 3.836,38 4.352,39 6,40 1.042,41 4.931,42 3.482,43 1.587,44 3.441,45 2.619,46 2.1,47 3.465,50 0.94,51 3,52 3.604,53 3.345,54 2.561,55 2,56 1.664,57 1.664,58 2.509,59 4.751,60 3.297,61 4.645,62 15.936,63 11.149,64 17.382,65 4}
{0 CHEMBL29086,1 0.18,2 0.149,3 5,4 0.171,5 1.898,6 1,7 133.916,8 2,9 0.845,10 1,11 2,12 2,13 7,14 0.182,15 110.781,16 2.015,17 1,18 1.142,19 0.988,20 1.885,21 117.563,22 1,23 3,24 3,25 4,26 6.424,27 1.072,28 1.462,29 3.805,30 4.401,31 4.396,32 5.289,33 1,34 1.987,35 17,36 2.025,37 4.321,38 5.209,39 15,40 1.442,41 5.513,42 4.312,43 2.791,44 3.57,45 3.032,46 2.007,47 3.579,48 1,49 0.738,50 1.518,51 5,52 4.341,53 4.232,54 2.945,55 1,56 2.229,57 2.229,58 3.135,59 5.305,60 4.254,61 5.455,62 16.474,63 21.591,64 17.948,65 5.854}
{0 CHEMBL295117,1 -0.083,2 -0.119,4 -0.082,5 12.89,6 3,9 0.969,14 0.773,16 2.117,18 0.734,19 1.184,20 0.62,26 5.206,27 0.674,28 0.938,29 3.888,30 3.549,31 3.382,32 4.033,34 0.666,35 4,36 2.131,37 3.662,38 3.912,39 1,40 0.919,41 4.227,42 3.246,43 1.4,44 3.409,45 2.545,46 2.085,47 2.912,50 0.888,52 3.256,53 3.158,54 2.572,55 7,56 1.812,57 1.812,58 2.456,59 4.078,60 3.094,61 4.157,62 16.706,63 5.726,64 18.235,65 6.125}
{0 CHEMBL295644,1 -0.091,2 -0.128,4 -0.087,5 16.303,6 2,9 1.055,14 0.677,16 2.056,18 1.121,19 1.226,20 1.56,26 5.827,27 1.044,28 1.358,29 4.021,30 4.099,31 4.029,32 4.937,34 1.562,35 2,36 2.06,37 4.081,38 4.81,39 5,40 1.328,41 5.199,42 4.067,43 2.033,44 3.755,45 2.906,46 2.047,47 3.226,50 1.414,52 3.987,53 3.977,54 2.892,55 8,56 2.061,57 2.061,58 2.555,59 4.917,60 3.931,61 5.026,62 17.206,63 15.636,64 18.713,65 5.699}
{0 CHEMBL295738,1 -0.065,2 -0.084,4 -0.068,5 16.024,6 2,9 1.021,14 0.7,16 2.048,18 1.121,19 1.161,20 1.343,26 5.696,27 1.036,28 1.391,29 4.018,30 4.038,31 3.944,32 4.779,34 1.36,35 1,36 2.052,37 4.02,38 4.653,39 4,40 1.36,41 5.038,42 3.907,43 1.793,44 3.72,45 2.907,46 2.041,47 3.161,50 1.436,52 3.89,53 3.819,54 2.882,55 8,56 2.061,57 2.061,58 2.555,59 4.789,60 3.777,61 4.894,62 17.11,63 13.059,64 18.615,65 5.959}
{0 CHEMBL296066,1 -0.103,2 -0.112,4 -0.086,5 13.254,6 2,9 1.071,14 0.607,16 2.035,18 1.047,19 1.228,20 1.1,26 5.601,27 0.966,28 1.308,29 3.907,30 4.008,31 3.892,32 4.649,34 1.217,35 2,36 2.037,37 3.972,38 4.557,39 2,40 1.247,41 4.893,42 3.749,43 1.767,44 3.64,45 2.687,46 2.031,47 3.1,50 1.304,52 3.776,53 3.673,54 2.715,55 7,56 2.061,57 2.061,58 2.555,59 4.749,60 3.687,61 4.754,62 16.407,63 11.652,64 17.877,65 6.06}
{0 CHEMBL296406,1 -0.086,2 -0.112,4 -0.08,5 13.777,6 2,9 1.077,14 0.607,16 2.039,18 1.07,19 1.242,20 1.18,26 5.603,27 0.987,28 1.308,29 3.91,30 4,31 3.887,32 4.695,34 1.297,36 2.041,37 3.968,38 4.611,39 2,40 1.279,41 4.954,42 3.803,43 1.767,44 3.66,45 2.687,46 2.035,47 3.1,50 1.417,52 3.769,53 3.706,54 2.715,55 7,56 2.061,57 2.061,58 2.555,59 4.802,60 3.674,61 4.859,62 16.407,63 12.403,64 17.877,65 5.432}
{0 CHEMBL296914,1 -0.03,2 -0.085,4 -0.029,5 13.207,6 2,9 0.986,14 0.63,16 2.025,18 1.044,19 1.18,20 1.083,26 5.591,27 0.959,28 1.268,29 3.887,30 3.953,31 3.855,32 4.643,34 1.204,35 2,36 2.031,37 3.921,38 4.483,39 2,40 1.259,41 4.892,42 3.711,43 1.727,44 3.639,45 2.687,46 2.019,47 3.092,50 1.24,52 3.742,53 3.631,54 2.715,55 7,56 2.061,57 2.061,58 2.555,59 4.72,60 3.626,61 4.706,62 16.387,63 11.343,64 17.86,65 5.553}
{0 CHEMBL297236,1 -0.081,2 -0.084,4 -0.088,5 15.76,6 2,9 1.075,14 0.607,16 2.05,18 1.078,19 1.229,20 1.158,26 5.579,27 0.989,28 1.344,29 3.911,30 4.007,31 3.887,32 4.675,34 1.296,35 2,36 2.059,37 3.97,38 4.614,39 2,40 1.318,41 4.927,42 3.811,43 1.767,44 3.654,45 2.687,46 2.038,47 3.141,50 1.415,52 3.76,53 3.712,54 2.715,55 8,56 2.061,57 2.061,58 2.555,59 4.798,60 3.669,61 4.857,62 16.407,63 12.411,64 17.877,65 4.638}
{0 CHEMBL297677,1 -0.083,2 -0.086,4 -0.076,5 15.494,6 2,9 1.015,14 0.7,16 2.044,18 1.091,19 1.148,20 1.19,26 5.648,27 1.019,28 1.352,29 3.988,30 4.043,31 3.93,32 4.681,34 1.228,35 3,36 2.048,37 4.024,38 4.548,39 3,40 1.323,41 4.919,42 3.818,43 1.793,44 3.709,45 2.909,46 2.037,47 3.154,50 1.304,52 3.868,53 3.749,54 2.882,55 8,56 2.061,57 2.061,58 2.555,59 4.734,60 3.758,61 4.744,62 17.108,63 11.878,64 18.613,65 6.102}
{0 CHEMBL297848,1 -0.043,2 -0.094,4 -0.04,5 10.399,6 2,9 0.992,14 0.607,16 2.021,18 1.044,19 1.207,20 1.114,26 5.7,27 0.96,28 1.269,29 3.887,30 4.029,31 3.924,32 4.69,34 1.249,35 1,36 2.031,37 4.005,38 4.53,39 2,40 1.266,41 4.932,42 3.743,43 1.918,44 3.65,45 2.816,46 2.003,47 3.178,50 1.236,52 3.838,53 3.678,54 2.75,55 6,56 2.061,57 2.061,58 2.555,59 4.782,60 3.7,61 4.74,62 16.508,63 11.477,64 17.976,65 6.137}
{0 CHEMBL298240,1 0.066,2 0.081,3 4,4 0.111,5 1.971,6 1,7 105.206,8 2,9 0.878,10 1,11 2,12 2,13 7,14 0.214,15 84.725,16 2.015,17 1,18 1.102,19 0.999,20 1.586,21 92.196,22 1,23 3,24 3,25 4,26 5.957,27 1.019,28 1.378,29 3.795,30 4.273,31 4.212,32 5.01,33 1,34 1.738,35 10,36 2.025,37 4.263,38 4.821,39 7,40 1.355,41 5.264,42 4.084,43 2.631,44 3.601,45 2.959,46 2.006,47 3.536,48 1,49 2.406,50 1.425,51 4,52 4.099,53 3.894,54 2.871,55 1,56 2.195,57 2.195,58 3.113,59 5.092,60 3.898,61 5.102,62 16.463,63 18.372,64 17.939,65 5.699}
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{0 CHEMBL299613,1 -0.097,2 -0.095,4 -0.09,5 3.969,6 3,9 1.149,14 0.24,16 2.15,18 0.883,19 1.181,20 0.94,26 5.434,27 0.799,28 1.171,29 3.906,30 3.876,31 3.655,32 4.591,34 1.305,35 3,36 2.134,37 4.018,38 4.389,39 3,40 1.134,41 4.855,42 3.605,43 1.964,44 3.406,45 2.69,46 2.179,47 3.357,50 1.238,52 3.445,53 3.444,54 2.691,55 2,56 1.944,57 1.944,58 2.435,59 4.931,60 3.213,61 4.667,62 15.781,63 11.327,64 17.204,65 5.407}
{0 CHEMBL306406,1 -0.23,2 -0.224,4 -0.208,5 11.064,6 3,9 1.093,14 0.81,16 2.117,18 0.497,19 1.212,20 0.566,26 4.911,27 0.423,28 0.787,29 3.891,30 3.437,31 3.288,32 3.772,34 0.667,35 3,36 2.131,37 3.622,38 3.42,39 2,40 0.8,41 4.011,42 2.935,43 1.44,44 3.409,45 2.382,46 2.086,47 2.928,50 0.745,52 3.1,53 2.854,54 2.305,55 7,56 1.947,57 1.947,58 2.409,59 3.946,60 2.806,61 3.639,62 16.694,63 4.727,64 18.224,65 4.699}
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{0 CHEMBL312518,1 -0.099,2 -0.137,4 -0.072,5 12.603,6 3,9 0.979,14 0.85,16 2.111,18 0.283,19 1.103,20 0.485,26 4.824,27 0.22,28 0.706,29 3.884,30 3.356,31 3.139,32 3.562,34 0.558,35 2,36 2.125,37 3.549,38 3.319,39 2,40 0.705,41 3.762,42 2.784,43 1.089,44 3.343,45 2.3,46 2.078,47 2.921,50 0.669,52 3.008,53 2.735,54 2.109,55 8,56 1.554,57 1.554,58 2.184,59 3.731,60 2.73,61 3.551,62 16.623,63 3.186,64 18.153,65 4.398}
{0 CHEMBL313864,1 -0.088,2 -0.09,4 -0.097,5 11.143,6 3,9 0.974,14 0.81,16 2.117,18 0.388,19 1.098,20 0.585,26 5.059,27 0.324,28 0.707,29 3.891,30 3.443,31 3.238,32 3.804,34 0.632,35 2,36 2.131,37 3.617,38 3.659,39 2,40 0.712,41 3.984,42 3.03,43 1.28,44 3.409,45 2.318,46 2.084,47 2.927,50 0.715,52 3.17,53 2.966,54 2.224,55 7,56 1.812,57 1.812,58 2.476,59 3.862,60 2.899,61 3.911,62 16.691,63 3.905,64 18.221,65 4.398}
{0 CHEMBL31663,1 0.033,2 0.015,4 0.039,5 8.921,6 2,9 0.903,14 0.522,16 2.055,18 0.82,19 1.051,20 0.922,26 5.568,27 0.762,28 0.997,29 3.806,30 3.875,31 3.773,32 4.497,34 1.072,35 8,36 2.062,37 3.836,38 4.192,39 6,40 0.971,41 4.763,42 3.493,43 1.778,44 3.223,45 2.613,46 2.047,47 3.435,50 1.026,52 3.557,53 3.371,54 2.646,55 5,56 1.769,57 1.769,58 2.723,59 4.621,60 3.313,61 4.446,62 16.333,63 10.335,64 17.817,65 4.903}
{0 CHEMBL31779,1 -0.004,2 -0.039,4 0.035,5 7.99,6 2,9 0.929,14 0.5,16 2.084,18 0.82,19 1.191,20 0.893,26 5.849,27 0.763,28 1.006,29 3.839,30 3.98,31 3.929,32 4.617,34 1.07,35 10,36 2.115,37 3.909,38 4.31,39 6,40 0.977,41 4.851,42 3.498,43 1.978,44 3.471,45 2.614,46 2.05,47 3.424,50 1.034,51 2,52 3.747,53 3.435,54 2.646,55 5,56 1.888,57 1.888,58 2.722,59 4.719,60 3.509,61 4.535,62 16.536,63 9.987,64 18.018,65 4.903}
{0 CHEMBL32021,1 -0.027,2 -0.066,4 0.039,5 9.872,6 2,9 0.917,14 0.545,16 2.087,18 0.692,19 1.168,20 0.813,26 5.617,27 0.632,28 0.901,29 3.837,30 3.872,31 3.773,32 4.468,34 0.957,35 9,36 2.114,37 3.804,38 4.141,39 6,40 0.883,41 4.731,42 3.355,43 1.587,44 3.432,45 2.519,46 2.063,47 3.424,50 0.912,51 2,52 3.575,53 3.249,54 2.513,55 6,56 1.664,57 1.664,58 2.46,59 4.593,60 3.266,61 4.401,62 16.464,63 9.593,64 17.947,65 4}
{0 CHEMBL32082,1 -0.092,2 -0.097,4 -0.069,5 9.749,6 2,9 1.057,14 0.375,16 2.113,18 0.02,19 1.09,20 0.256,23 2,24 2,25 2,26 4.516,28 0.495,29 3.826,30 3.262,31 3.106,32 3.367,34 0.491,35 8,36 2.125,37 3.304,38 2.284,39 5,40 0.415,41 3.657,42 2.182,43 0.573,44 3.434,45 1.484,46 2.12,47 3.077,50 0.599,51 3,52 2.643,53 2.017,54 1.564,55 5,56 1,57 1,58 1.699,59 3.924,60 1.799,61 2.612,62 14.637,63 3.065,64 16.064,65 4}
{0 CHEMBL32128,1 0.014,2 -0.008,4 0.045,5 11.011,6 2,9 0.888,14 0.571,16 2.058,18 0.692,19 1.024,20 0.841,26 5.366,27 0.632,28 0.899,29 3.8,30 3.759,31 3.642,32 4.382,34 0.963,35 7,36 2.06,37 3.722,38 3.999,39 6,40 0.881,41 4.671,42 3.361,43 1.467,44 3.147,45 2.477,46 2.06,47 3.434,50 0.911,52 3.397,53 3.194,54 2.513,55 6,56 1.497,57 1.497,58 2.533,59 4.504,60 3.028,61 4.299,62 16.248,63 10.024,64 17.736,65 4}
{0 CHEMBL32242,2 0.004,4 0.008,5 9.775,6 2,9 1.003,14 0.545,16 2.066,18 0.82,19 1.118,20 0.968,26 5.413,27 0.762,28 1.006,29 3.807,30 3.815,31 3.676,32 4.621,34 1.119,35 7,36 2.068,37 3.795,38 4.314,39 6,40 0.974,41 4.911,42 3.553,43 1.738,44 3.187,45 2.612,46 2.069,47 3.05,50 1.063,52 3.432,53 3.375,54 2.645,55 5,56 1.71,57 1.71,58 2.478,59 4.718,60 3.183,61 4.594,62 16.271,63 12.129,64 17.754,65 4.903}
{0 CHEMBL337597,1 -0.173,2 -0.13,3 1,4 -0.153,5 12.813,6 2,9 1.077,13 1,14 0.667,16 2.053,18 0.696,19 1.153,20 0.601,26 5.3,27 0.633,28 0.927,29 3.992,30 3.632,31 3.522,32 3.958,34 0.673,35 5,36 2.089,37 3.744,38 3.884,39 2,40 0.894,41 4.137,42 3.201,43 1.201,44 3.547,45 2.519,46 2.02,47 3.586,49 -0.293,50 0.983,51 3,52 3.42,53 3.167,54 2.441,55 8,56 1.857,57 1.857,58 2.611,59 4.135,60 3.237,61 4.07,62 16.779,63 4.581,64 18.278,65 6.071}
{0 CHEMBL339413,1 -0.081,2 -0.079,3 4,4 -0.066,6 2,7 41.067,8 1,9 1.066,10 1,11 2,12 2,13 7,15 60.145,16 2.12,17 1,18 0.821,19 1.122,20 0.803,23 3,24 3,25 4,26 5.389,27 0.724,28 1.123,29 3.886,30 3.94,31 3.711,32 4.454,33 1,34 1.273,35 2,36 2.098,37 4.141,38 4.037,39 2,40 1.075,41 4.72,42 3.542,43 1.86,44 3.598,45 2.745,46 2.157,47 3.596,48 1,49 2.796,50 1.197,51 4,52 3.563,53 3.353,54 2.645,56 1.938,57 1.938,58 2.476,59 4.876,60 3.29,61 4.258,62 15.281,63 10.776,64 16.629,65 5.553}
{0 CHEMBL340408,1 -0.075,2 -0.084,3 4,4 -0.063,6 2,7 41.067,8 1,9 1.043,10 1,11 2,12 2,13 7,15 60.145,16 2.12,17 1,18 0.822,19 1.114,20 0.837,23 3,24 3,25 4,26 5.339,27 0.724,28 1.122,29 3.885,30 4.085,31 3.877,32 4.447,33 1,34 1.315,35 2,36 2.098,37 4.325,38 4.029,39 2,40 1.073,41 4.712,42 3.596,43 1.86,44 3.749,45 2.804,46 2.157,47 3.588,48 1,49 3.397,50 1.195,51 4,52 3.857,53 3.376,54 2.648,56 1.938,57 1.938,58 2.459,59 4.872,60 3.578,61 4.249,62 15.281,63 11.318,64 16.629,65 5.538}
{0 CHEMBL340756,1 -0.081,2 -0.079,3 4,4 -0.066,6 2,7 41.067,8 1,9 1.066,10 1,11 2,12 2,13 7,15 60.145,16 2.124,17 1,18 0.789,19 1.122,20 0.813,23 3,24 3,25 4,26 5.415,27 0.69,28 1.101,29 3.886,30 3.968,31 3.721,32 4.455,33 1,34 1.28,35 2,36 2.102,37 4.141,38 4.037,39 3,40 1.052,41 4.721,42 3.524,43 1.86,44 3.581,45 2.673,46 2.16,47 3.59,48 1,49 2.861,50 1.183,51 4,52 3.516,53 3.346,54 2.631,56 1.938,57 1.938,58 2.551,59 4.877,60 3.28,61 4.258,62 15.384,63 10.513,64 16.745,65 5.009}
{0 CHEMBL341341,1 -0.075,2 -0.075,3 3,4 -0.072,6 2,7 38.976,8 1,9 1.1,11 2,12 2,13 7,15 56.747,16 2.124,17 1,18 0.789,19 1.116,20 0.834,23 4,24 4,25 4,26 5.34,27 0.69,28 1.101,29 3.886,30 3.786,31 3.551,32 4.437,33 1,34 1.297,35 2,36 2.102,37 3.972,38 4.009,39 3,40 1.052,41 4.724,42 3.441,43 1.61,44 3.444,45 2.662,46 2.161,47 3.404,48 1,49 2.898,50 1.183,51 4,52 3.303,53 3.262,54 2.631,56 1.926,57 1.926,58 2.471,59 4.865,60 3.001,61 4.262,62 15.191,63 10.057,64 16.546,65 5.357}
{0 CHEMBL341946,1 -0.158,2 -0.192,3 1,4 -0.108,5 18.964,6 3,9 1.089,13 1,14 0.581,16 2.046,18 0.886,19 1.212,20 1.164,26 5.821,27 0.857,28 1.145,29 3.946,30 3.847,31 3.767,32 4.685,34 1.219,35 2,36 2.047,37 3.961,38 4.639,39 1,40 1.122,41 4.904,42 3.859,43 1.458,44 3.832,45 2.774,46 2.068,47 3.111,49 -0.348,50 1.181,51 1,52 3.697,53 3.783,54 2.767,55 11,56 2.092,57 2.092,58 2.718,59 4.722,60 3.721,61 4.853,62 15.862,63 11.759,64 17.334,65 5.301}
{0 CHEMBL343071,1 -0.235,2 -0.292,3 1,4 -0.19,5 21.215,6 3,9 1.153,13 1,14 0.643,16 2.048,18 0.886,19 1.299,20 0.871,26 5.559,27 0.821,28 1.107,29 3.935,30 3.648,31 3.568,32 4.365,34 0.939,35 2,36 2.048,37 3.827,38 4.363,39 2,40 1.062,41 4.551,42 3.672,43 1.107,44 3.806,45 2.687,46 2.05,47 3.111,49 -0.133,50 1.144,51 1,52 3.553,53 3.598,54 2.715,55 12,56 2.09,57 2.09,58 2.646,59 4.445,60 3.524,61 4.574,62 15.563,63 8.7,64 17.043,65 4.208}
{0 CHEMBL343288,1 -0.128,2 -0.066,3 1,4 -0.149,5 12.901,6 2,9 1.05,13 1,14 0.727,16 2.014,18 0.683,19 1.062,20 0.652,26 5.132,27 0.619,28 0.91,29 3.92,30 3.492,31 3.378,32 3.866,34 0.689,35 3,36 2.019,37 3.634,38 3.661,39 1,40 0.871,41 4.064,42 3.102,43 1.121,44 3.449,45 2.403,46 2.006,47 3.018,49 -0.236,50 0.975,51 1,52 3.221,53 3.041,54 2.35,55 8,56 1.711,57 1.711,58 2.604,59 3.998,60 3.025,61 3.879,62 16.628,63 4.56,64 18.142,65 6.409}
{0 CHEMBL344614,1 -0.171,2 -0.198,3 1,4 -0.136,5 21.547,6 3,9 1.107,13 1,14 0.621,16 2.048,18 0.886,19 1.212,20 0.954,26 5.631,27 0.821,28 1.107,29 3.942,30 3.684,31 3.584,32 4.469,34 1.037,35 1,36 2.047,37 3.853,38 4.408,39 2,40 1.062,41 4.679,42 3.714,43 1.027,44 3.819,45 2.687,46 2.061,47 3.11,49 -0.108,50 1.181,51 1,52 3.57,53 3.636,54 2.715,55 12,56 2.09,57 2.09,58 2.65,59 4.534,60 3.567,61 4.612,62 15.563,63 9.88,64 17.042,65 5.31}
{0 CHEMBL346002,1 0.143,2 0.141,3 6,4 0.18,5 1.81,6 1,7 163.353,8 2,9 0.814,10 1,11 2,12 2,13 7,14 0.162,15 131.201,16 2.016,17 1,18 1.179,19 0.926,20 2.46,21 142.718,22 1,23 3,24 3,25 4,26 6.563,27 1.107,28 1.479,29 3.818,30 4.53,31 4.547,32 5.453,33 1,34 2.411,35 15,36 2.027,37 4.464,38 5.453,39 14,40 1.477,41 5.657,42 4.632,43 2.871,44 3.673,45 3.121,46 2.007,47 3.731,48 1,49 1.603,50 1.5,51 6,52 4.576,53 4.513,54 3,55 1,56 2.322,57 2.322,58 3.482,59 5.42,60 4.537,61 5.683,62 16.487,63 27.065,64 17.959,65 5.699}
{0 CHEMBL346431,1 0.095,2 0.24,3 5,4 0.06,5 1.453,6 1,7 132.959,8 2,9 0.897,10 1,11 2,12 2,13 7,14 0.182,15 111.464,16 2.012,17 1,18 1.139,19 0.611,20 2.33,21 116.914,22 1,23 3,24 3,25 4,26 6.585,27 1.063,28 1.425,29 3.801,30 4.395,31 4.429,32 5.15,33 1,34 2.36,35 11,36 2.02,37 4.445,38 4.971,39 8,40 1.375,41 5.35,42 4.185,43 2.911,44 3.708,45 2.991,46 2.004,47 4.394,48 1,49 -1.445,50 1.393,51 5,52 4.454,53 4.153,54 2.899,55 1,56 2.386,57 2.386,58 3.34,59 5.234,60 4.428,61 5.171,62 16.521,63 16.085,64 17.983,65 5.854}
{0 CHEMBL347182,1 0.15,2 0.203,3 6,4 0.11,5 1.763,6 1,7 135.447,8 2,9 0.838,10 1,11 2,12 2,13 7,14 0.182,15 109.257,16 2.014,17 1,18 1.156,19 0.882,20 2.015,21 118.564,22 1,23 3,24 3,25 4,26 6.443,27 1.078,28 1.444,29 3.805,30 4.433,31 4.465,32 5.26,33 1,34 2.14,35 15,36 2.026,37 4.367,38 5.163,39 13,40 1.376,41 5.465,42 4.391,43 2.871,44 3.651,45 3.04,46 2.005,47 3.689,48 1,49 1.287,50 1.496,51 6,52 4.452,53 4.272,54 2.945,55 1,56 2.237,57 2.237,58 3.463,59 5.312,60 4.342,61 5.399,62 16.482,63 21.448,64 17.955,65 5.678}
{0 CHEMBL347323,1 0.07,2 0.12,3 5,4 0.066,5 1.973,6 1,7 96.433,8 2,9 0.88,10 1,11 2,12 2,13 7,14 0.194,15 77.793,16 1.994,17 1,18 1.116,19 0.937,20 1.625,21 84.968,22 1,23 3,24 3,25 4,26 6.18,27 1.053,28 1.44,29 3.823,30 4.31,31 4.296,32 5.022,33 1,34 1.823,35 13,36 1.997,37 4.279,38 4.785,39 10,40 1.374,41 5.241,42 4.14,43 2.471,44 3.661,45 2.965,46 1.995,47 3.596,48 1,49 2.102,50 1.426,51 5,52 4.267,53 4.012,54 2.863,55 1,56 2.201,57 2.201,58 3.337,59 5.131,60 4.145,61 5.002,62 16.484,63 17.435,64 17.959,65 5.824}
{0 CHEMBL348049,1 0.188,2 0.234,3 6,4 0.148,5 1.751,6 1,7 158.946,8 2,9 0.821,10 1,11 2,12 2,13 7,14 0.167,15 125.785,16 2.014,17 1,18 1.183,19 0.857,20 2.145,21 138.648,22 1,23 3,24 3,25 4,26 6.517,27 1.107,28 1.53,29 3.806,30 4.497,31 4.541,32 5.333,33 1,34 2.235,35 17,36 2.026,37 4.441,38 5.298,39 13,40 1.513,41 5.526,42 4.483,43 2.951,44 3.654,45 3.113,46 2.005,47 3.749,48 1,49 1.149,50 1.548,51 6,52 4.543,53 4.384,54 3.05,55 1,56 2.301,57 2.301,58 3.473,59 5.379,60 4.48,61 5.512,62 16.484,63 22.858,64 17.957,65 5.796}
{0 CHEMBL351131,1 0.08,2 0.235,3 5,4 0.051,5 1.467,6 1,7 137.951,8 2,9 0.913,10 1,11 2,12 2,13 7,14 0.176,15 116.131,16 2.012,17 1,18 1.139,19 0.642,20 2.522,21 121.367,22 1,23 3,24 3,25 4,26 6.652,27 1.065,28 1.426,29 3.813,30 4.493,31 4.497,32 5.25,33 1,34 2.566,35 13,36 2.02,37 4.497,38 5.089,39 9,40 1.392,41 5.449,42 4.307,43 2.991,44 3.735,45 3.007,46 2.005,47 4.394,48 1,49 -1.287,50 1.462,51 5,52 4.522,53 4.26,54 2.91,55 1,56 2.483,57 2.483,58 3.392,59 5.334,60 4.508,61 5.293,62 16.546,63 18.091,64 18.006,65 5.854}
{0 CHEMBL351349,1 0.149,2 0.184,3 6,4 0.16,5 1.716,6 1,7 150.769,8 2,9 0.818,10 1,11 2,12 2,13 7,14 0.171,15 119.981,16 2.013,17 1,18 1.157,19 0.911,20 2.093,21 131.659,22 1,23 3,24 3,25 4,26 6.512,27 1.078,28 1.447,29 3.803,30 4.488,31 4.515,32 5.324,33 1,34 2.158,35 15,36 2.024,37 4.415,38 5.234,39 14,40 1.449,41 5.519,42 4.441,43 2.871,44 3.652,45 3.082,46 2.004,47 3.778,48 1,49 0.826,50 1.497,51 6,52 4.526,53 4.348,54 2.979,55 1,56 2.297,57 2.297,58 3.476,59 5.322,60 4.451,61 5.437,62 16.484,63 21.886,64 17.957,65 5.886}
{0 CHEMBL351579,1 0.122,2 0.095,3 6,4 0.189,5 1.726,6 1,7 194.184,8 2,9 0.835,10 1,11 2,12 2,13 7,14 0.146,15 155.434,16 2.013,17 1,18 1.23,19 0.978,20 2.401,21 169.339,22 1,23 3,24 3,25 4,26 6.678,27 1.193,28 1.543,29 3.804,30 4.601,31 4.642,32 5.482,33 1,34 2.387,35 21,36 2.025,37 4.528,38 5.459,39 20,40 1.561,41 5.665,42 4.605,43 3.031,44 3.659,45 3.244,46 2.004,47 3.779,48 1,49 0.371,50 1.558,51 6,52 4.676,53 4.532,54 3.086,55 1,56 2.331,57 2.331,58 3.496,59 5.45,60 4.629,61 5.66,62 16.487,63 24.824,64 17.959,65 5.509}
{0 CHEMBL356376,1 0.16,2 0.185,3 5,4 0.109,5 1.994,6 1,7 121.331,8 2,9 0.843,10 1,11 2,12 2,13 7,14 0.194,15 99.561,16 2.015,17 1,18 1.158,19 0.878,20 2.056,21 106.503,22 1,23 3,24 3,25 4,26 6.183,27 1.08,28 1.438,29 3.797,30 4.446,31 4.432,32 5.205,33 1,34 2.15,35 11,36 2.025,37 4.412,38 5.043,39 8,40 1.365,41 5.445,42 4.393,43 2.791,44 3.657,45 3.054,46 2.006,47 3.604,49 3.652,50 1.491,51 5,52 4.402,53 4.205,54 2.913,55 1,56 2.205,57 2.205,58 3.496,59 5.253,60 4.337,61 5.292,62 16.471,63 23.139,64 17.946,65 5.796}
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{0 CHEMBL389126,1 -0.07,2 -0.075,4 -0.051,5 4.368,6 3,9 1.11,14 0.231,16 2.157,18 0.884,19 1.148,20 1.22,26 5.513,27 0.8,28 1.204,29 3.928,30 3.917,31 3.729,32 4.805,34 1.535,36 2.139,37 4.029,38 4.637,40 1.167,41 5.097,42 3.869,43 2.044,44 3.466,45 2.713,46 2.188,47 3.346,50 1.273,52 3.513,53 3.662,54 2.691,55 2,56 1.948,57 1.948,58 2.417,59 5.048,60 3.332,61 4.927,62 15.783,63 15.215,64 17.207,65 5.31}
{0 CHEMBL414618,1 -0.115,2 -0.045,3 1,4 -0.142,5 11.836,6 2,9 1.099,13 1,14 0.615,16 2.014,18 0.739,19 0.706,20 0.876,26 5.948,27 0.686,28 0.984,29 3.92,30 3.784,31 3.715,32 4.154,34 1.045,35 3,36 2.02,37 3.786,38 3.95,39 2,40 0.98,41 4.316,42 3.258,43 1.401,44 3.502,45 2.694,46 2.006,47 3.594,49 -0.433,50 0.981,51 1,52 3.606,53 3.285,54 2.635,55 8,56 2.179,57 2.179,58 2.712,59 4.253,60 3.517,61 4.139,62 16.656,63 4.702,64 18.163,65 5.77}
{0 CHEMBL417295,1 -0.037,2 -0.043,4 -0.003,5 3.831,6 2,9 1.019,14 0.286,16 2.079,18 0.697,19 1.106,20 0.927,23 2,24 2,25 2,26 5.458,27 0.634,28 0.921,29 3.803,30 3.791,31 3.672,32 4.578,34 1.075,35 7,36 2.072,37 3.754,38 4.238,39 6,40 0.919,41 4.881,42 3.487,43 1.467,44 3.198,45 2.544,46 2.097,47 3.488,50 0.916,51 1,52 3.432,53 3.294,54 2.521,55 2,56 1.497,57 1.497,58 2.573,59 4.675,60 3.068,61 4.566,62 15.795,63 11.528,64 17.261,65 4}
{0 CHEMBL418350,1 -0.11,2 -0.149,4 -0.091,5 14.97,6 3,9 0.997,14 0.739,16 2.114,18 0.523,19 1.152,20 0.498,26 4.944,27 0.487,28 0.756,29 3.89,30 3.542,31 3.431,32 3.87,34 0.567,35 2,36 2.123,37 3.659,38 3.641,39 2,40 0.782,41 4.051,42 3.089,43 1.315,44 3.507,45 2.36,46 2.095,47 3.054,50 0.697,52 3.263,53 3.002,54 2.285,55 8,56 1.805,57 1.805,58 2.184,59 3.979,60 2.884,61 3.865,62 16.801,63 4.676,64 18.335,65 6.201}
{0 CHEMBL418352,1 -0.182,2 -0.206,4 -0.178,5 13.283,6 3,9 1.075,14 0.708,16 2.116,18 0.62,19 1.217,20 0.586,26 5.053,27 0.59,28 0.838,29 3.914,30 3.588,31 3.469,32 3.993,34 0.601,35 2,36 2.125,37 3.721,38 3.842,39 3,40 0.837,41 4.176,42 3.23,43 1.506,44 3.521,45 2.444,46 2.101,47 3.058,50 0.842,52 3.345,53 3.144,54 2.37,55 7,56 1.975,57 1.975,58 2.414,59 4.032,60 3.013,61 4.072,62 16.832,63 5.183,64 18.36,65 6}
{0 CHEMBL422643,1 -0.149,2 -0.181,3 1,4 -0.111,5 21.774,6 3,9 1.09,13 1,14 0.6,16 2.048,18 0.886,19 1.193,20 1.052,26 5.64,27 0.849,28 1.118,29 3.946,30 3.714,31 3.622,32 4.556,34 1.139,35 1,36 2.046,37 3.882,38 4.508,39 1,40 1.1,41 4.785,42 3.771,43 1.107,44 3.825,45 2.757,46 2.069,47 3.11,49 -0.092,50 1.181,51 1,52 3.586,53 3.673,54 2.757,55 12,56 2.09,57 2.09,58 2.651,59 4.633,60 3.583,61 4.733,62 15.563,63 11.201,64 17.042,65 5.244}
{0 CHEMBL433632,1 0.142,2 0.131,3 4,4 0.148,5 1.987,6 1,7 110.199,8 2,9 0.882,10 1,11 2,12 2,13 7,14 0.207,15 89.392,16 2.015,17 1,18 1.137,19 1.01,20 1.62,21 96.648,22 1,23 3,24 3,25 4,26 6.108,27 1.051,28 1.461,29 3.804,30 4.281,31 4.241,32 5.136,33 1,34 1.839,35 11,36 2.025,37 4.229,38 4.972,39 9,40 1.433,41 5.384,42 4.114,43 2.631,44 3.493,45 2.98,46 2.007,47 3.497,48 1,49 1.982,50 1.516,51 4,52 4.105,53 3.984,54 2.902,55 1,56 2.197,57 2.197,58 2.734,59 5.213,60 3.888,61 5.248,62 16.466,63 19.057,64 17.942,65 5.62}
{0 CHEMBL435027,1 -0.113,2 -0.121,3 1,4 -0.098,5 9.32,6 5,9 1.172,13 1,14 0.231,16 2.183,18 1.449,19 1.226,20 3.665,26 6.625,27 1.382,28 1.672,29 4,30 4.677,31 4.578,32 5.878,34 3.977,35 3,36 2.161,37 4.694,38 5.876,39 2,40 1.641,41 6.158,42 4.988,43 3.912,44 3.843,45 3.234,46 2.22,47 3.61,49 -0.235,50 1.727,51 1,52 4.526,53 4.801,54 3.26,55 6,56 2.616,57 2.616,58 3.111,59 5.989,60 4.516,61 6.172,62 16.131,63 44.918,64 17.539,65 4.398}
{0 CHEMBL436000,1 -0.075,2 -0.075,3 3,4 -0.072,6 2,7 38.992,8 1,9 1.1,11 2,12 2,13 7,15 56.616,16 2.12,17 1,18 0.823,19 1.116,20 0.834,23 4,24 4,25 4,26 5.281,27 0.723,28 1.129,29 3.887,30 3.811,31 3.56,32 4.428,33 1,34 1.296,35 2,36 2.098,37 3.972,38 4.009,39 2,40 1.081,41 4.724,42 3.44,43 1.61,44 3.418,45 2.65,46 2.157,47 3.432,48 1,49 2.817,50 1.21,51 4,52 3.256,53 3.252,54 2.637,56 1.871,57 1.871,58 2.44,59 4.862,60 2.991,61 4.262,62 15.098,63 10.196,64 16.441,65 5.143}
{0 CHEMBL438563,1 0.106,2 0.073,3 5,4 0.147,5 1.921,6 1,7 153.088,8 2,9 0.899,10 1,11 2,12 2,13 7,14 0.167,15 127.817,16 2.015,17 1,18 1.17,19 1.071,20 2.274,21 134.402,22 1,23 3,24 3,25 4,26 6.577,27 1.085,28 1.524,29 3.815,30 4.495,31 4.511,32 5.47,33 1,34 2.38,35 21,36 2.025,37 4.421,38 5.413,39 17,40 1.503,41 5.694,42 4.507,43 3.031,44 3.623,45 3.051,46 2.007,47 3.584,48 1,49 0.949,50 1.567,51 5,52 4.481,53 4.417,54 2.971,55 1,56 2.258,57 2.258,58 3.155,59 5.478,60 4.399,61 5.661,62 16.492,63 25.974,64 17.963,65 5.699}
{0 CHEMBL440529,1 -0.17,2 -0.199,3 1,4 -0.136,5 16.455,6 3,9 1.11,13 1,14 0.563,16 2.044,18 0.886,19 1.246,20 1.13,26 5.879,27 0.858,28 1.151,29 3.944,30 3.907,31 3.802,32 4.675,34 1.2,35 3,36 2.048,37 4.027,38 4.667,39 2,40 1.201,41 4.866,42 3.872,43 1.609,44 3.834,45 2.896,46 2.044,47 3.111,49 -0.384,50 1.181,51 1,52 3.75,53 3.816,54 2.785,55 10,56 2.197,57 2.197,58 2.787,59 4.727,60 3.781,61 4.877,62 15.95,63 11.027,64 17.412,65 5.377}
{0 CHEMBL442784,1 -0.099,2 -0.07,4 -0.112,5 14.14,6 2,9 1.066,13 2,14 0.64,16 2.054,18 0.878,19 1.108,20 0.939,23 2,24 2,25 2,26 5.253,27 0.81,28 1.102,29 3.949,30 3.698,31 3.497,32 4.478,34 0.945,35 3,36 2.052,37 3.771,38 4.242,39 3,40 1.074,41 4.77,42 3.579,43 1.493,44 3.46,45 2.716,46 2.061,47 2.941,50 1.133,51 1,52 3.307,53 3.425,54 2.709,55 7,56 2.061,57 2.061,58 2.431,59 4.473,60 3.258,61 4.481,62 16.639,63 11.659,64 18.136,65 4.602}
{0 CHEMBL443474,1 -0.02,2 -0.064,4 -0.023,5 10.511,6 3,9 0.941,14 0.63,16 2.121,18 0.935,19 1.178,20 0.978,26 5.616,27 0.879,28 1.138,29 3.894,30 3.947,31 3.817,32 4.56,34 1.086,35 2,36 2.134,37 3.993,38 4.338,39 3,40 1.145,41 4.795,42 3.627,43 2.222,44 3.471,45 2.823,46 2.091,47 3.204,50 1.142,52 3.674,53 3.551,54 2.779,55 6,56 1.974,57 1.974,58 2.58,59 4.629,60 3.526,61 4.535,62 16.918,63 10.182,64 18.438,65 4.398}
{0 CHEMBL44918,1 -0.178,2 -0.166,3 1,4 -0.144,5 14.751,6 3,9 1.113,13 1,14 0.581,16 2.043,18 0.88,19 1.161,20 1.163,26 5.903,27 0.821,28 1.107,29 3.947,30 3.858,31 3.769,32 4.624,34 1.195,35 2,36 2.048,37 3.997,38 4.558,39 2,40 1.086,41 4.82,42 3.806,43 1.569,44 3.835,45 2.77,46 2.041,47 3.111,49 -0.437,50 1.115,51 1,52 3.726,53 3.761,54 2.732,55 10,56 2.121,57 2.121,58 2.787,59 4.646,60 3.755,61 4.752,62 15.938,63 9.982,64 17.401,65 5.398}
{0 CHEMBL451490,1 -0.098,2 -0.068,4 -0.114,5 14.451,6 2,9 1.085,13 2,14 0.615,16 2.059,18 1.024,19 1.128,20 0.969,23 2,24 2,25 2,26 5.293,27 0.938,28 1.281,29 3.95,30 3.764,31 3.545,32 4.511,34 1.027,35 4,36 2.057,37 3.845,38 4.319,39 4,40 1.233,41 4.797,42 3.634,43 1.533,44 3.487,45 2.816,46 2.064,47 3.09,50 1.355,51 1,52 3.35,53 3.479,54 2.82,55 7,56 2.061,57 2.061,58 2.482,59 4.563,60 3.305,61 4.563,62 16.862,63 11.944,64 18.374,65 4.523}
{0 CHEMBL45469,1 -0.054,2 -0.047,4 -0.065,5 14.112,6 2,9 1.041,14 0.567,16 2.037,18 1.119,19 1.156,20 1.309,26 5.661,27 1.031,28 1.406,29 3.97,30 4.049,31 3.93,32 4.773,34 1.376,35 3,36 2.05,37 4.031,38 4.674,39 3,40 1.372,41 5.025,42 3.921,43 1.793,44 3.694,45 2.9,46 2.02,47 3.3,50 1.401,52 3.857,53 3.82,54 2.883,55 7,56 2.061,57 2.061,58 2.555,59 4.821,60 3.758,61 4.918,62 16.563,63 13.568,64 18.03,65 4.319}
{0 CHEMBL45473,1 -0.061,2 -0.093,4 -0.047,5 9.904,6 2,9 0.981,14 0.607,16 2.013,18 1.039,19 1.188,20 1.06,26 5.688,27 0.959,28 1.254,29 3.886,30 4.037,31 3.932,32 4.644,34 1.167,35 1,36 2.025,37 4.01,38 4.503,39 2,40 1.257,41 4.877,42 3.704,43 1.918,44 3.631,45 2.816,46 1.995,47 3.178,50 1.219,52 3.848,53 3.651,54 2.75,55 6,56 2.061,57 2.061,58 2.555,59 4.733,60 3.707,61 4.686,62 16.508,63 11.08,64 17.976,65 6.009}
{0 CHEMBL45481,1 -0.053,2 -0.066,4 -0.058,5 12.821,6 2,9 1.014,14 0.607,16 2.04,18 1.078,19 1.221,20 1.151,26 5.676,27 0.987,28 1.366,29 3.898,30 4.031,31 3.921,32 4.712,34 1.319,35 1,36 2.055,37 4,38 4.581,39 2,40 1.346,41 4.961,42 3.802,43 1.918,44 3.648,45 2.877,46 2.013,47 3.173,50 1.347,52 3.827,53 3.713,54 2.815,55 7,56 2.061,57 2.061,58 2.555,59 4.825,60 3.692,61 4.818,62 16.508,63 12.428,64 17.976,65 5.114}
{0 CHEMBL45512,1 -0.058,2 -0.096,4 -0.048,5 10.929,6 2,9 1.017,14 0.607,16 2.029,18 1.054,19 1.236,20 1.159,26 5.693,27 0.966,28 1.33,29 3.896,30 4.025,31 3.921,32 4.72,34 1.32,35 1,36 2.037,37 3.998,38 4.553,39 2,40 1.325,41 4.972,42 3.779,43 1.918,44 3.654,45 2.877,46 2.012,47 3.15,50 1.291,52 3.831,53 3.7,54 2.815,55 6,56 2.061,57 2.061,58 2.555,59 4.823,60 3.698,61 4.777,62 16.508,63 11.967,64 17.976,65 6.167}
{0 CHEMBL46052,1 -0.076,2 -0.093,4 -0.055,5 10.434,6 2,9 1.007,14 0.607,16 2.021,18 1.053,19 1.218,20 1.1,26 5.677,27 0.966,28 1.33,29 3.896,30 4.033,31 3.929,32 4.668,34 1.232,35 1,36 2.031,37 4.002,38 4.526,39 2,40 1.325,41 4.909,42 3.738,43 1.918,44 3.634,45 2.877,46 2.004,47 3.15,50 1.288,52 3.842,53 3.672,54 2.815,55 6,56 2.061,57 2.061,58 2.555,59 4.778,60 3.705,61 4.724,62 16.508,63 11.428,64 17.976,65 6.036}
{0 CHEMBL46072,1 -0.038,2 -0.062,4 -0.05,5 12.235,6 2,9 0.989,14 0.607,16 2.035,18 1.073,19 1.191,20 1.103,26 5.684,27 0.983,28 1.343,29 3.887,30 4.035,31 3.924,32 4.681,34 1.25,35 1,36 2.051,37 4.007,38 4.559,39 2,40 1.32,41 4.92,42 3.767,43 1.918,44 3.645,45 2.816,46 2.003,47 3.194,50 1.336,52 3.834,53 3.691,54 2.75,55 7,56 2.061,57 2.061,58 2.555,59 4.785,60 3.694,61 4.783,62 16.508,63 11.944,64 17.976,65 5.119}
{0 CHEMBL46215,1 -0.084,2 -0.14,4 -0.068,5 11.177,6 2,9 1.058,14 0.586,16 2.033,18 1.054,19 1.304,20 1.365,26 5.835,27 0.967,28 1.331,29 3.897,30 4.087,31 4.008,32 4.885,34 1.515,35 1,36 2.041,37 4.06,38 4.741,39 2,40 1.325,41 5.145,42 3.935,43 2.158,44 3.685,45 2.879,46 2.016,47 3.222,50 1.292,52 3.936,53 3.845,54 2.817,55 6,56 2.061,57 2.061,58 2.555,59 4.951,60 3.833,61 4.965,62 16.677,63 14.51,64 18.154,65 4.509}
{0 CHEMBL47112,1 -0.063,2 -0.082,4 -0.065,5 15.765,6 2,9 1.04,14 0.607,16 2.047,18 1.065,19 1.231,20 1.171,26 5.593,27 0.982,28 1.308,29 3.911,30 4.005,31 3.883,32 4.691,34 1.302,36 2.057,37 3.972,38 4.612,39 2,40 1.3,41 4.946,42 3.809,43 1.767,44 3.655,45 2.687,46 2.031,47 3.141,50 1.417,52 3.762,53 3.71,54 2.715,55 8,56 2.061,57 2.061,58 2.555,59 4.804,60 3.673,61 4.862,62 16.407,63 12.605,64 17.877,65 4.456}
{0 CHEMBL47306,1 -0.06,2 -0.055,4 -0.077,5 18.023,6 2,9 1.018,14 0.7,16 2.058,18 1.108,19 1.148,20 1.26,26 5.642,27 1.025,28 1.378,29 4.026,30 4.042,31 3.923,32 4.722,34 1.342,35 3,36 2.067,37 4.022,38 4.61,39 3,40 1.348,41 4.97,42 3.885,43 1.793,44 3.718,45 2.909,46 2.044,47 3.175,50 1.385,52 3.851,53 3.792,54 2.883,55 9,56 2.061,57 2.061,58 2.555,59 4.782,60 3.747,61 4.848,62 17.108,63 12.93,64 18.613,65 5.745}
{0 CHEMBL48004,1 -0.057,2 -0.059,4 -0.071,5 17.694,6 2,9 0.997,14 0.724,16 2.054,18 1.093,19 1.131,20 1.223,26 5.624,27 1.006,28 1.367,29 4.019,30 3.992,31 3.89,32 4.695,34 1.266,35 3,36 2.063,37 3.96,38 4.545,39 3,40 1.34,41 4.948,42 3.84,43 1.753,44 3.712,45 2.812,46 2.04,47 3.152,50 1.354,52 3.825,53 3.744,54 2.795,55 9,56 2.061,57 2.061,58 2.555,59 4.711,60 3.693,61 4.788,62 16.939,63 12.546,64 18.43,65 4.149}
{0 CHEMBL48472,1 -0.09,2 -0.117,4 -0.094,5 11.189,6 3,9 0.996,14 0.739,16 2.126,18 0.77,19 1.201,20 0.655,26 5.245,27 0.708,28 1.002,29 3.895,30 3.708,31 3.471,32 4.084,34 0.824,35 4,36 2.139,37 3.744,38 4.023,39 1,40 0.974,41 4.273,42 3.334,43 1.551,44 3.421,45 2.556,46 2.096,47 2.941,50 1.017,52 3.304,53 3.25,54 2.588,55 6,56 1.928,57 1.928,58 2.459,59 4.32,60 3.184,61 4.251,62 16.93,63 6.206,64 18.471,65 6.056}
{0 CHEMBL48515,1 -0.121,2 -0.134,4 -0.108,5 11.019,6 3,9 0.997,14 0.81,16 2.12,18 0.43,19 1.125,20 0.524,26 4.879,27 0.368,28 0.714,29 3.892,30 3.521,31 3.233,32 3.642,34 0.639,35 2,36 2.133,37 3.64,38 3.512,39 2,40 0.705,41 3.834,42 2.921,43 1.24,44 3.372,45 2.366,46 2.089,47 2.94,50 0.725,52 3.066,53 2.872,54 2.285,55 7,56 1.915,57 1.915,58 2.241,59 3.911,60 2.858,61 3.718,62 16.851,63 3.585,64 18.392,65 4.745}
{0 CHEMBL48975,1 -0.13,2 -0.13,4 -0.121,5 12.643,6 3,9 0.987,14 0.81,16 2.116,18 0.392,19 1.168,20 0.461,26 4.946,27 0.333,28 0.698,29 3.882,30 3.493,31 3.29,32 3.791,34 0.514,35 2,36 2.129,37 3.694,38 3.642,39 3,40 0.684,41 3.96,42 3.131,43 1.28,44 3.488,45 2.459,46 2.083,47 2.944,50 0.71,52 3.287,53 3.017,54 2.24,55 7,56 1.812,57 1.812,58 2.477,59 3.854,60 3.045,61 3.883,62 16.691,63 4.107,64 18.221,65 4.959}
{0 CHEMBL49093,1 -0.276,2 -0.351,4 -0.23,5 12.572,6 3,9 1.102,14 0.81,16 2.117,18 0.497,19 1.341,20 0.456,26 4.779,27 0.423,28 0.781,29 3.883,30 3.487,31 3.338,32 3.759,34 0.567,35 3,36 2.129,37 3.699,38 3.399,39 3,40 0.775,41 3.988,42 3.045,43 1.44,44 3.491,45 2.39,46 2.085,47 2.946,50 0.743,52 3.226,53 2.91,54 2.305,55 7,56 1.947,57 1.947,58 2.41,59 3.938,60 2.965,61 3.602,62 16.694,63 5.068,64 18.224,65 5.699}
{0 CHEMBL49267,1 -0.198,2 -0.254,4 -0.16,5 13.335,6 3,9 1.068,14 0.81,16 2.123,18 0.656,19 1.269,20 0.502,26 4.791,27 0.6,28 0.84,29 3.909,30 3.517,31 3.221,32 3.76,34 0.587,35 3,36 2.134,37 3.62,38 3.695,39 3,40 0.814,41 3.966,42 3.093,43 1.24,44 3.378,45 2.482,46 2.101,47 2.815,50 0.857,52 3.018,53 2.989,54 2.489,55 7,56 1.915,57 1.915,58 2.23,59 3.947,60 2.819,61 3.93,62 16.851,63 4.583,64 18.392,65 5.538}
{0 CHEMBL49330,1 -0.17,2 -0.178,4 -0.159,5 11.74,6 3,9 1.067,14 0.773,16 2.129,18 0.681,19 1.244,20 0.601,26 5.033,27 0.615,28 0.978,29 3.914,30 3.614,31 3.33,32 3.962,34 0.735,35 3,36 2.14,37 3.684,38 3.94,39 3,40 0.997,41 4.151,42 3.279,43 1.431,44 3.426,45 2.522,46 2.106,47 2.83,50 0.888,52 3.181,53 3.173,54 2.495,55 6,56 1.933,57 1.933,58 2.416,59 4.184,60 2.975,61 4.189,62 16.918,63 5.518,64 18.461,65 5.009}
{0 CHEMBL49422,1 -0.298,2 -0.377,4 -0.245,5 13.39,6 3,9 1.15,14 0.81,16 2.121,18 0.497,19 1.389,20 0.555,26 4.827,27 0.424,28 0.811,29 3.908,30 3.433,31 3.277,32 3.876,34 0.615,35 4,36 2.132,37 3.602,38 3.619,39 3,40 0.812,41 4.123,42 3.104,43 1.44,44 3.414,45 2.389,46 2.099,47 2.788,50 0.812,52 3.054,53 2.973,54 2.308,55 7,56 1.947,57 1.947,58 2.363,59 3.981,60 2.765,61 3.867,62 16.694,63 5.568,64 18.224,65 5.62}
{0 CHEMBL49424,1 -0.212,2 -0.314,4 -0.176,5 12.809,6 3,9 1.076,14 0.773,16 2.118,18 0.581,19 1.345,20 0.528,26 4.877,27 0.512,28 0.834,29 3.889,30 3.511,31 3.341,32 3.872,34 0.672,35 3,36 2.131,37 3.667,38 3.668,39 3,40 0.82,41 4.095,42 3.087,43 1.48,44 3.414,45 2.411,46 2.087,47 2.882,50 0.869,52 3.133,53 2.999,54 2.406,55 7,56 1.948,57 1.948,58 2.409,59 4.105,60 2.915,61 3.879,62 16.699,63 5.29,64 18.229,65 5.114}
{0 CHEMBL49431,1 -0.11,2 -0.188,4 -0.088,5 12.756,6 3,9 0.99,14 0.773,16 2.12,18 0.672,19 1.223,20 0.479,26 4.844,27 0.616,28 0.885,29 3.89,30 3.589,31 3.289,32 3.756,34 0.644,35 2,36 2.133,37 3.684,38 3.74,39 3,40 0.872,41 3.933,42 3.075,43 1.28,44 3.379,45 2.587,46 2.09,47 2.897,50 0.857,52 3.101,53 3.015,54 2.546,55 7,56 1.931,57 1.931,58 2.241,59 4.074,60 2.961,61 3.942,62 16.855,63 4.296,64 18.396,65 5.056}
{0 CHEMBL49477,1 -0.17,2 -0.183,4 -0.155,5 13.458,6 3,9 1.048,14 0.81,16 2.12,18 0.59,19 1.232,20 0.565,26 4.987,27 0.525,28 0.83,29 3.908,30 3.438,31 3.227,32 3.905,34 0.568,35 3,36 2.132,37 3.597,38 3.819,39 3,40 0.819,41 4.099,42 3.186,43 1.28,44 3.414,45 2.423,46 2.097,47 2.782,50 0.855,52 3.127,53 3.073,54 2.399,55 7,56 1.812,57 1.812,58 2.4,59 3.9,60 2.862,61 4.088,62 16.691,63 4.995,64 18.221,65 5.31}
{0 CHEMBL51729,1 -0.201,2 -0.153,4 -0.176,5 10.442,6 3,9 1.063,14 0.81,16 2.104,18 0.278,19 1.118,20 0.479,26 4.854,27 0.22,28 0.694,29 3.884,30 3.539,31 3.5,32 3.571,34 0.542,35 3,36 2.119,37 3.725,38 3.342,39 2,40 0.689,41 3.761,42 2.836,43 1.44,44 3.608,45 2.394,46 2.065,47 2.947,50 0.662,52 3.161,53 2.788,54 2.122,55 7,56 1.947,57 1.947,58 2.549,59 3.753,60 2.902,61 3.548,62 16.694,63 3.098,64 18.224,65 4.796}
{0 CHEMBL52501,1 -0.171,2 -0.216,4 -0.135,5 12.52,6 3,9 1.01,14 0.81,16 2.119,18 0.435,19 1.21,20 0.396,26 4.741,27 0.38,28 0.703,29 3.883,30 3.567,31 3.285,32 3.628,34 0.54,35 2,36 2.132,37 3.715,38 3.492,39 3,40 0.677,41 3.806,42 3.033,43 1.24,44 3.473,45 2.525,46 2.088,47 2.957,50 0.717,52 3.196,53 2.928,54 2.306,55 7,56 1.915,57 1.915,58 2.241,59 3.902,60 3.009,61 3.684,62 16.851,63 3.842,64 18.392,65 5.319}
{0 CHEMBL61,1 -0.06,2 -0.056,3 1,4 -0.068,5 7.31,6 3,9 1.053,14 0.353,16 2.101,18 1.141,19 1.136,20 1.576,26 6.283,27 1.065,28 1.449,29 3.887,30 4.347,31 4.326,32 5.137,34 1.678,35 17,36 2.1,37 4.277,38 4.942,39 14,40 1.439,41 5.334,42 4.109,43 2.986,44 3.698,45 2.913,46 2.105,47 3.507,49 -0.332,50 1.426,51 1,52 4.296,53 4.097,54 2.852,55 4,56 2.51,57 2.51,58 3.198,59 5.14,60 4.254,61 5.124,62 16.414,63 16.621,64 17.869,65 5.886}
{0 CHEMBL67,1 -0.085,2 -0.072,4 -0.095,5 8.896,6 2,9 1.07,13 2,14 0.5,16 2.033,18 0.883,19 1.162,20 0.885,23 2,24 2,25 2,26 5.35,27 0.839,28 1.13,29 3.883,30 3.756,31 3.536,32 4.48,34 0.975,35 4,36 2.037,37 3.828,38 4.289,39 4,40 1.135,41 4.758,42 3.544,43 1.658,44 3.33,45 2.777,46 2.032,47 3.123,50 1.137,51 1,52 3.328,53 3.408,54 2.748,55 5,56 2.061,57 2.061,58 2.462,59 4.561,60 3.292,61 4.521,62 16.004,63 11.063,64 17.466,65 5.73}
{0 CHEMBL72252,1 -0.196,2 -0.222,4 -0.156,5 12.201,6 3,9 1.017,14 0.773,16 2.105,18 0.567,19 1.232,20 0.521,26 5.032,27 0.505,28 0.814,29 3.882,30 3.636,31 3.612,32 3.852,34 0.581,35 5,36 2.119,37 3.765,38 3.675,39 1,40 0.808,41 4.057,42 3.092,43 1.56,44 3.606,45 2.455,46 2.066,47 2.945,50 0.784,52 3.248,53 3.013,54 2.41,55 7,56 1.946,57 1.946,58 2.488,59 3.991,60 3.096,61 3.885,62 16.708,63 4.78,64 18.238,65 6.137}
{0 CHEMBL72681,1 -0.103,2 -0.088,4 -0.118,5 9.485,6 3,9 0.996,14 0.773,16 2.126,18 0.604,19 1.119,20 0.625,26 5.103,27 0.516,28 0.867,29 3.897,30 3.617,31 3.34,32 3.867,34 0.777,35 2,36 2.139,37 3.703,38 3.8,39 2,40 0.861,41 4.042,42 3.139,43 1.431,44 3.421,45 2.412,46 2.096,47 2.945,50 0.847,52 3.222,53 3.077,54 2.366,55 6,56 1.933,57 1.933,58 2.476,59 4.155,60 3.008,61 4.03,62 16.918,63 4.389,64 18.461,65 4.398}
{0 CHEMBL72723,1 -0.102,2 -0.189,4 -0.047,5 12.762,6 3,9 0.95,14 0.773,16 2.12,18 0.673,19 1.224,20 0.574,26 5.024,27 0.616,28 0.893,29 3.889,30 3.684,31 3.423,32 3.956,34 0.76,35 2,36 2.133,37 3.713,38 3.821,39 3,40 0.884,41 4.169,42 3.183,43 1.2,44 3.358,45 2.564,46 2.088,47 3.073,50 0.857,52 3.242,53 3.105,54 2.546,55 7,56 1.774,57 1.774,58 2.192,59 4.224,60 3.042,61 4.024,62 16.914,63 5.687,64 18.452,65 4.699}
{0 CHEMBL72961,1 -0.209,2 -0.266,4 -0.169,5 12.6,6 3,9 1.029,14 0.773,16 2.104,18 0.568,19 1.266,20 0.528,26 5.017,27 0.506,28 0.813,29 3.881,30 3.814,31 3.912,32 3.85,34 0.588,35 5,36 2.117,37 3.948,38 3.67,39 1,40 0.807,41 4.055,42 3.114,43 1.56,44 3.787,45 2.532,46 2.064,47 2.938,50 0.775,52 3.403,53 3.023,54 2.411,55 7,56 1.946,57 1.946,58 2.484,59 3.986,60 3.25,61 3.881,62 16.708,63 4.809,64 18.238,65 5.824}
{0 CHEMBL73127,1 -0.083,2 -0.117,4 -0.057,5 11.185,6 3,9 0.96,14 0.739,16 2.126,18 0.771,19 1.201,20 0.671,26 5.214,27 0.714,28 1.01,29 3.895,30 3.767,31 3.513,32 4.125,34 0.901,35 2,36 2.139,37 3.771,38 4.041,39 3,40 0.987,41 4.322,42 3.355,43 1.391,44 3.41,45 2.573,46 2.095,47 3.085,50 0.981,52 3.374,53 3.27,54 2.601,55 6,56 1.84,57 1.84,58 2.323,59 4.408,60 3.169,61 4.262,62 16.978,63 6.559,64 18.517,65 4.398}
{0 CHEMBL73156,1 -0.11,2 -0.188,4 -0.088,5 12.767,6 3,9 0.99,14 0.773,16 2.12,18 0.673,19 1.223,20 0.558,26 5.053,27 0.616,28 0.907,29 3.889,30 3.62,31 3.377,32 3.907,34 0.681,35 4,36 2.133,37 3.684,38 3.799,39 1,40 0.899,41 4.112,42 3.159,43 1.36,44 3.371,45 2.552,46 2.09,47 2.934,50 0.858,52 3.161,53 3.081,54 2.546,55 7,56 1.908,57 1.908,58 2.235,59 4.117,60 3.06,61 4.01,62 16.863,63 5.318,64 18.403,65 6.208}
{0 CHEMBL73218,1 -0.099,2 -0.194,4 -0.068,5 14.385,6 3,9 0.963,14 0.81,16 2.111,18 0.549,19 1.208,20 0.443,26 4.787,27 0.485,28 0.82,29 3.882,30 3.436,31 3.201,32 3.685,34 0.561,35 2,36 2.125,37 3.597,38 3.59,39 3,40 0.81,41 3.868,42 2.959,43 1.129,44 3.351,45 2.408,46 2.079,47 2.873,50 0.844,52 3.045,53 2.897,54 2.384,55 8,56 1.578,57 1.578,58 2.184,59 3.924,60 2.847,61 3.811,62 16.629,63 3.832,64 18.158,65 4.398}
{0 CHEMBL73273,1 -0.147,2 -0.213,4 -0.101,5 14.143,6 3,9 1,14 0.85,16 2.11,18 0.285,19 1.195,20 0.364,26 4.678,27 0.226,28 0.697,29 3.875,30 3.411,31 3.197,32 3.546,34 0.448,35 2,36 2.123,37 3.631,38 3.295,39 3,40 0.677,41 3.732,42 2.911,43 1.089,44 3.45,45 2.374,46 2.075,47 2.939,50 0.666,52 3.145,53 2.798,54 2.12,55 8,56 1.554,57 1.554,58 2.184,59 3.721,60 2.901,61 3.511,62 16.623,63 3.437,64 18.153,65 4.658}
{0 CHEMBL73445,1 -0.091,2 -0.195,4 -0.022,5 14.387,6 3,9 0.918,14 0.81,16 2.11,18 0.557,19 1.208,20 0.54,26 4.985,27 0.493,28 0.821,29 3.882,30 3.546,31 3.347,32 3.899,34 0.678,35 2,36 2.125,37 3.628,38 3.683,39 3,40 0.81,41 4.118,42 3.079,43 1.049,44 3.329,45 2.412,46 2.077,47 3.003,50 0.846,52 3.194,53 2.998,54 2.394,55 8,56 1.502,57 1.502,58 2.184,59 4.096,60 2.937,61 3.903,62 16.702,63 5.288,64 18.229,65 4.398}
{0 CHEMBL73707,1 -0.076,2 -0.119,4 -0.041,5 12.885,6 3,9 0.929,14 0.773,16 2.117,18 0.724,19 1.185,20 0.636,26 5.182,27 0.666,28 0.915,29 3.888,30 3.618,31 3.428,32 4.077,34 0.745,35 2,36 2.131,37 3.691,38 3.931,39 3,40 0.903,41 4.279,42 3.268,43 1.24,44 3.399,45 2.553,46 2.083,47 3.022,50 0.883,52 3.33,53 3.18,54 2.571,55 7,56 1.801,57 1.801,58 2.247,59 4.189,60 3.077,61 4.169,62 16.765,63 6.095,64 18.292,65 4.398}
{0 CHEMBL75041,1 -0.147,2 -0.136,4 -0.141,5 10.946,6 3,9 1.004,14 0.773,16 2.125,18 0.606,19 1.185,20 0.495,26 4.994,27 0.519,28 0.857,29 3.888,30 3.659,31 3.387,32 3.856,34 0.69,35 2,36 2.138,37 3.773,38 3.785,39 3,40 0.829,41 4.02,42 3.23,43 1.431,44 3.503,45 2.576,46 2.095,47 2.961,50 0.846,52 3.334,53 3.122,54 2.374,55 6,56 1.933,57 1.933,58 2.477,59 4.149,60 3.14,61 4.005,62 16.918,63 4.634,64 18.461,65 4.495}
{0 CHEMBL79720,1 0.049,2 0.053,3 3,4 0.059,5 3.644,6 1,7 78.245,8 1,9 0.902,10 1,11 1,12 1,13 7,14 0.261,16 2.004,17 1,18 0.699,19 1.04,20 0.9,23 4,24 4,25 5,26 5.552,27 0.641,28 0.902,29 3.789,30 3.857,31 3.667,32 4.541,34 1.056,35 7,36 2.016,37 3.904,38 4.259,39 6,40 0.883,41 4.804,42 3.507,43 1.499,44 3.251,45 2.764,46 1.99,47 3.428,48 1,49 0.9,50 0.923,51 4,52 3.492,53 3.392,54 2.756,55 2,56 1.606,57 1.606,58 2.43,59 4.651,60 3.361,61 4.498,62 16.064,63 10.902,64 17.525,65 5.602}
{0 CHEMBL84903,1 -0.122,2 -0.113,4 -0.135,5 19.991,6 3,9 1.071,13 2,14 0.739,16 2.144,18 0.674,19 1.073,20 0.548,23 2,24 2,25 2,26 4.933,27 0.631,28 0.868,29 3.934,30 3.386,31 3.148,32 3.928,34 0.672,35 1,36 2.132,37 3.628,38 3.92,39 1,40 0.843,41 4.13,42 3.295,43 1.169,44 3.47,45 2.536,46 2.166,47 2.924,50 0.942,51 1,52 3.05,53 3.19,54 2.552,55 10,56 1.618,57 1.618,58 2.199,59 4.105,60 3.054,61 4.126,62 16.414,63 6.316,64 17.921,65 5.523}
{0 CHEMBL85065,1 -0.078,2 -0.068,4 -0.088,5 18.597,6 3,9 1.038,13 2,14 0.654,16 2.144,18 1.005,19 1.07,20 1.002,23 2,24 2,25 2,26 5.293,27 0.938,28 1.191,29 3.943,30 3.75,31 3.561,32 4.517,34 1.001,35 3,36 2.132,37 3.834,38 4.29,39 3,40 1.156,41 4.806,42 3.645,43 1.68,44 3.479,45 2.801,46 2.165,47 2.924,50 1.251,51 1,52 3.346,53 3.485,54 2.811,55 9,56 2.061,57 2.061,58 2.428,59 4.532,60 3.295,61 4.529,62 16.587,63 12.452,64 18.089,65 5}