@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL1980

@attribute molecule_id {CHEMBL105782,CHEMBL105929,CHEMBL105997,CHEMBL106351,CHEMBL106356,CHEMBL106459,CHEMBL106610,CHEMBL107354,CHEMBL107394,CHEMBL107684,CHEMBL1077780,CHEMBL1077781,CHEMBL1077963,CHEMBL1078232,CHEMBL1078264,CHEMBL1078336,CHEMBL1078337,CHEMBL1078565,CHEMBL1078628,CHEMBL1078657,CHEMBL1078715,CHEMBL1078755,CHEMBL1079061,CHEMBL1079140,CHEMBL1079244,CHEMBL1079246,CHEMBL1079256,CHEMBL1079257,CHEMBL1079258,CHEMBL1079290,CHEMBL1079291,CHEMBL1079360,CHEMBL1079361,CHEMBL1079362,CHEMBL1080076,CHEMBL108070,CHEMBL1080973,CHEMBL1080974,CHEMBL1080975,CHEMBL1081703,CHEMBL108347,CHEMBL108361,CHEMBL108627,CHEMBL108727,CHEMBL108728,CHEMBL108782,CHEMBL109012,CHEMBL109127,CHEMBL110164,CHEMBL110352,CHEMBL110572,CHEMBL1270208,CHEMBL1271309,CHEMBL1313991,CHEMBL1425238,CHEMBL16,CHEMBL1631095,CHEMBL1788304,CHEMBL1796068,CHEMBL1797387,CHEMBL1797388,CHEMBL1797389,CHEMBL1797390,CHEMBL1797391,CHEMBL1797392,CHEMBL1797393,CHEMBL1797394,CHEMBL1797395,CHEMBL1797396,CHEMBL1797398,CHEMBL1797399,CHEMBL1797400,CHEMBL1797401,CHEMBL1797402,CHEMBL1797403,CHEMBL1797404,CHEMBL1797405,CHEMBL1797406,CHEMBL1797407,CHEMBL1797408,CHEMBL1797409,CHEMBL1797410,CHEMBL1797411,CHEMBL1797412,CHEMBL1797413,CHEMBL1813015,CHEMBL1813042,CHEMBL1813048,CHEMBL1813049,CHEMBL1813050,CHEMBL1835153,CHEMBL1914835,CHEMBL1914844,CHEMBL1915364,CHEMBL1938867,CHEMBL1958460,CHEMBL1958461,CHEMBL1958462,CHEMBL1963280,CHEMBL1963307,CHEMBL1963594,CHEMBL2010816,CHEMBL2011946,CHEMBL2011947,CHEMBL2011950,CHEMBL2012014,CHEMBL2012017,CHEMBL2012023,CHEMBL2012025,CHEMBL2012026,CHEMBL2012027,CHEMBL2012028,CHEMBL2012029,CHEMBL2012030,CHEMBL2012032,CHEMBL2012037,CHEMBL2012038,CHEMBL2012039,CHEMBL2012040,CHEMBL2012041,CHEMBL2012042,CHEMBL2012044,CHEMBL2012178,CHEMBL2012179,CHEMBL2012180,CHEMBL2012181,CHEMBL2012244,CHEMBL2012245,CHEMBL2012246,CHEMBL2012247,CHEMBL2012249,CHEMBL2012250,CHEMBL2012259,CHEMBL2012262,CHEMBL2012263,CHEMBL2012265,CHEMBL2012266,CHEMBL2012267,CHEMBL2012268,CHEMBL2012269,CHEMBL2012271,CHEMBL2012272,CHEMBL2012273,CHEMBL2012274,CHEMBL2012277,CHEMBL2012280,CHEMBL2012281,CHEMBL2012283,CHEMBL2012285,CHEMBL2012287,CHEMBL2012290,CHEMBL2012291,CHEMBL2012292,CHEMBL2012293,CHEMBL2012294,CHEMBL2012295,CHEMBL2012296,CHEMBL2012298,CHEMBL2012299,CHEMBL2012300,CHEMBL2012301,CHEMBL2018453,CHEMBL2035983,CHEMBL2047521,CHEMBL2069399,CHEMBL2069400,CHEMBL2069401,CHEMBL2069402,CHEMBL2069403,CHEMBL2069404,CHEMBL2069406,CHEMBL2069407,CHEMBL2069408,CHEMBL2069409,CHEMBL2069410,CHEMBL2069411,CHEMBL2069412,CHEMBL2069413,CHEMBL2069414,CHEMBL2069415,CHEMBL2069416,CHEMBL2069417,CHEMBL2069418,CHEMBL2069419,CHEMBL2069420,CHEMBL2069421,CHEMBL2069422,CHEMBL2069423,CHEMBL2069424,CHEMBL2069425,CHEMBL2069426,CHEMBL2069427,CHEMBL2069428,CHEMBL208957,CHEMBL209064,CHEMBL2092889,CHEMBL2092890,CHEMBL2093896,CHEMBL210829,CHEMBL2147209,CHEMBL2147210,CHEMBL2147211,CHEMBL2147212,CHEMBL2147213,CHEMBL2147214,CHEMBL2147215,CHEMBL2147216,CHEMBL2147217,CHEMBL2147218,CHEMBL2147219,CHEMBL2147220,CHEMBL2147221,CHEMBL2147222,CHEMBL2147223,CHEMBL2147224,CHEMBL2147225,CHEMBL2147226,CHEMBL2147303,CHEMBL2147304,CHEMBL2147305,CHEMBL2147306,CHEMBL2147307,CHEMBL2147308,CHEMBL2147309,CHEMBL2147311,CHEMBL2147312,CHEMBL2147313,CHEMBL2147314,CHEMBL2147316,CHEMBL2147317,CHEMBL21578,CHEMBL2163357,CHEMBL2164037,CHEMBL2164038,CHEMBL2164039,CHEMBL2164040,CHEMBL2164041,CHEMBL2164042,CHEMBL2164043,CHEMBL2164044,CHEMBL2164045,CHEMBL2164046,CHEMBL2164047,CHEMBL2164356,CHEMBL2164357,CHEMBL2164358,CHEMBL2164359,CHEMBL2164360,CHEMBL2164361,CHEMBL2164362,CHEMBL2164363,CHEMBL2164364,CHEMBL2164365,CHEMBL2164366,CHEMBL2164367,CHEMBL2164368,CHEMBL2164369,CHEMBL2164370,CHEMBL2164371,CHEMBL2164372,CHEMBL2164373,CHEMBL2164374,CHEMBL2164375,CHEMBL2164376,CHEMBL2164377,CHEMBL2164378,CHEMBL2164379,CHEMBL2164380,CHEMBL2164381,CHEMBL2164382,CHEMBL2164383,CHEMBL2164384,CHEMBL2164385,CHEMBL2164386,CHEMBL2164387,CHEMBL2164388,CHEMBL2164389,CHEMBL2164390,CHEMBL2164391,CHEMBL2164392,CHEMBL2164393,CHEMBL2164394,CHEMBL2164395,CHEMBL2164396,CHEMBL2164397,CHEMBL229125,CHEMBL2337981,CHEMBL250699,CHEMBL320248,CHEMBL320314,CHEMBL320332,CHEMBL321883,CHEMBL322055,CHEMBL322599,CHEMBL324435,CHEMBL375475,CHEMBL387671,CHEMBL387935,CHEMBL401258,CHEMBL421032,CHEMBL431643,CHEMBL432963,CHEMBL447085,CHEMBL482637,CHEMBL482676,CHEMBL482845,CHEMBL483876,CHEMBL486495,CHEMBL488817,CHEMBL495586,CHEMBL495601,CHEMBL495792,CHEMBL495793,CHEMBL495794,CHEMBL495992,CHEMBL495993,CHEMBL495995,CHEMBL496189,CHEMBL497828,CHEMBL497829,CHEMBL507974,CHEMBL511058,CHEMBL519149,CHEMBL519336,CHEMBL521211,CHEMBL522211,CHEMBL523565,CHEMBL524992,CHEMBL540930,CHEMBL550242,CHEMBL550652,CHEMBL551058,CHEMBL551517,CHEMBL551921,CHEMBL552061,CHEMBL552196,CHEMBL552338,CHEMBL552382,CHEMBL552402,CHEMBL555347,CHEMBL556487,CHEMBL557032,CHEMBL558,CHEMBL559101,CHEMBL559531,CHEMBL561259,CHEMBL561379,CHEMBL561788,CHEMBL562822,CHEMBL562869,CHEMBL562926,CHEMBL563732,CHEMBL564547,CHEMBL564757,CHEMBL564975,CHEMBL569185,CHEMBL629,CHEMBL631,CHEMBL652,CHEMBL698,CHEMBL741}
@attribute nDB numeric
@attribute NdssC numeric
@attribute P_VSA_e_5 numeric
@attribute CATS2D_05_DL numeric
@attribute NdO numeric
@attribute O.058 numeric
@attribute CATS2D_04_AA numeric
@attribute JGI2 numeric
@attribute MATS7i numeric
@attribute SpDiam_AEA.ri. numeric
@attribute SM12_EA.ed. numeric
@attribute SM13_EA.ed. numeric
@attribute SpMin1_Bh.s. numeric
@attribute JGI5 numeric
@attribute PDI numeric
@attribute C.030 numeric
@attribute SM14_EA.ed. numeric
@attribute SM15_EA.ed. numeric
@attribute SM10_EA.ed. numeric
@attribute GATS7v numeric
@attribute SpMax1_Bh.i. numeric
@attribute nPyrroles numeric
@attribute piID numeric
@attribute SM09_EA.ed. numeric
@attribute MATS1i numeric
@attribute SpMin1_Bh.v. numeric
@attribute SM12_EA.dm. numeric
@attribute N.073 numeric
@attribute SM08_EA.ed. numeric
@attribute H.050 numeric
@attribute nHDon numeric
@attribute SAdon numeric
@attribute GATS7p numeric
@attribute O. numeric
@attribute Hy numeric
@attribute SM02_EA.dm. numeric
@attribute CATS2D_02_AL numeric
@attribute ARR numeric
@attribute SdO numeric
@attribute SM07_EA.ed. numeric
@attribute nAB numeric
@attribute nCONN numeric
@attribute MATS7p numeric
@attribute CATS2D_08_LL numeric
@attribute SM12_AEA.ed. numeric
@attribute nCrq numeric
@attribute SM13_AEA.ed. numeric
@attribute SM14_AEA.ed. numeric
@attribute SM15_AEA.ed. numeric
@attribute SM03_EA.dm. numeric
@attribute CATS2D_04_DL numeric
@attribute N. numeric
@attribute SaasN numeric
@attribute C.043 numeric
@attribute NsssCH numeric
@attribute C.033 numeric
@attribute Eta_betaS_A numeric
@attribute SM11_AEA.ed. numeric
@attribute SM10_EA.ri. numeric
@attribute SM06_EA.ed. numeric
@attribute nThiazoles numeric
@attribute TRS numeric
@attribute SM05_EA.ed. numeric
@attribute H.048 numeric
@attribute GATS7i numeric
@attribute nPyrimidines numeric
@attribute pXC50 numeric

@data
{1 2,2 2,3 58.145,4 5,5 1,6 1,7 1,8 0.083,9 0.153,10 5.051,11 28.095,12 30.381,13 1.14,14 0.034,15 0.93,17 32.703,18 35.007,19 23.516,20 0.755,21 3.996,23 8.642,24 21.167,25 -0.14,26 2.027,27 2.869,29 18.991,30 3,31 3,32 67.693,33 0.692,34 8.7,35 1.005,36 2.278,37 3,38 0.462,39 12.142,40 16.581,41 12,43 0.203,44 4,45 23.011,47 24.836,48 26.668,49 28.505,50 0.623,51 8,52 6.5,57 0.64,58 21.192,59 11.349,60 14.567,62 12,63 11.991,65 0.759,67 4.614}
{0 CHEMBL105929,1 2,2 2,3 25.145,4 9,5 1,6 1,7 1,8 0.086,9 0.369,10 4.998,11 27.612,12 29.853,13 1.253,14 0.033,15 0.952,17 32.125,18 34.381,19 23.122,20 0.824,21 4.016,23 9.004,24 20.814,25 0.025,26 2.049,27 3.226,29 18.673,30 3,31 3,32 50.908,33 0.688,34 2.3,35 0.979,36 1.744,37 3,38 0.522,39 12.103,40 16.295,41 12,43 0.178,44 13,45 22.806,47 24.626,48 26.45,49 28.278,50 0.623,51 7,52 7,55 1,57 0.591,58 20.992,59 11.405,60 14.307,62 12,63 11.751,65 0.652,67 5.347}
{0 CHEMBL105997,1 2,2 2,3 25.145,4 9,5 1,6 1,8 0.069,9 0.001,10 4.866,11 26.034,12 28.142,13 1.288,14 0.023,15 0.961,17 30.307,18 32.44,19 21.793,20 0.928,21 3.992,23 8.083,24 19.582,25 0.025,26 2.037,27 2.811,29 17.612,30 3,31 3,32 67.693,33 0.868,34 2.3,35 0.979,36 1.671,37 1,38 0.522,39 11.929,40 15.319,41 12,43 0.036,44 5,45 21.975,47 23.727,48 25.486,49 27.249,50 0.623,51 7,52 7,57 0.591,58 20.229,59 10.877,60 13.529,62 12,63 11.037,65 0.997,67 5.28}
{0 CHEMBL106351,1 2,2 2,3 36.145,4 9,5 1,6 1,8 0.069,9 0.188,10 4.891,11 26.218,12 28.309,13 1.14,14 0.028,15 0.946,17 30.465,18 32.584,19 22.006,20 0.795,21 3.995,23 8.436,24 19.797,25 -0.03,26 2.029,27 2.831,29 17.85,30 3,31 3,32 67.693,33 0.737,34 4.5,35 0.989,36 1.917,37 5,38 0.5,39 12.02,40 15.55,41 12,43 0.175,44 8,45 22.185,47 23.93,48 25.681,49 27.437,50 0.623,51 8,52 6.8,55 1,57 0.609,58 20.445,59 10.96,60 13.783,62 12,63 11.283,65 0.778,67 5.24}
{0 CHEMBL106356,1 2,2 2,3 36.145,4 7,5 1,6 1,8 0.069,9 -0.022,10 4.906,11 26.034,12 28.142,13 1.14,14 0.023,15 0.953,17 30.307,18 32.44,19 21.793,20 0.974,21 3.981,23 8.083,24 19.582,25 -0.03,26 2.025,27 2.831,29 17.612,30 3,31 3,32 67.693,33 0.895,34 4.9,35 1.024,36 1.917,37 3,38 0.522,39 11.897,40 15.319,41 12,43 0.006,45 21.975,47 23.727,48 25.486,49 27.249,50 0.623,51 4,52 7.3,57 0.614,58 20.229,59 10.779,60 13.529,62 12,63 11.037,65 1.03,67 4.848}
{0 CHEMBL106459,1 2,2 2,3 25.145,4 8,5 1,6 1,8 0.067,9 0.066,10 4.995,11 27.255,12 29.496,13 1.333,14 0.025,15 0.957,17 31.772,18 34.027,19 22.761,20 0.993,21 3.994,23 8.15,24 20.448,25 0.022,26 2.04,27 2.811,29 18.313,30 3,31 3,32 67.693,33 0.911,34 2.2,35 0.946,36 1.671,37 1,38 0.5,39 12.058,40 15.932,41 12,43 -0.024,44 6,45 22.467,47 24.287,48 26.113,49 27.944,50 0.623,51 8,52 6.5,57 0.587,58 20.656,59 11.158,60 13.963,62 12,63 11.401,65 0.978,67 5.757}
{0 CHEMBL106610,1 2,2 2,3 25.145,4 8,5 1,6 1,8 0.065,9 -0.01,10 4.866,11 26.034,12 28.142,13 1.364,14 0.024,15 0.954,17 30.307,18 32.44,19 21.794,20 1.019,21 3.993,23 8.143,24 19.582,25 0.02,26 2.042,27 2.811,29 17.612,30 3,31 3,32 67.693,33 0.956,34 2,35 0.915,36 1.671,37 1,38 0.48,39 11.967,40 15.319,41 12,43 -0.036,44 5,45 21.976,47 23.728,48 25.486,49 27.25,50 0.623,51 7,52 6.1,57 0.583,58 20.232,59 10.886,60 13.532,62 12,63 11.037,65 1.006,67 5.444}
{0 CHEMBL107354,1 2,2 2,3 25.145,4 9,5 1,6 1,8 0.071,9 0.07,10 4.865,11 26.034,12 28.142,13 1.228,14 0.03,15 0.965,17 30.308,18 32.44,19 21.794,20 0.987,21 3.991,23 8.052,24 19.582,25 0.029,26 2.033,27 2.811,29 17.611,30 3,31 3,32 67.693,33 0.875,34 2.5,35 1.015,36 1.671,37 1,38 0.545,39 11.908,40 15.319,41 12,43 0.007,44 6,45 21.974,47 23.727,48 25.485,49 27.249,50 0.623,51 8,52 7.5,57 0.595,58 20.228,59 10.87,60 13.527,62 12,63 11.037,65 0.986,67 5.248}
{0 CHEMBL107394,1 2,2 2,3 25.145,4 10,5 1,6 1,8 0.086,9 0.26,10 4.879,11 26.461,12 28.562,13 1.252,14 0.035,15 0.952,17 30.716,18 32.837,19 22.231,20 0.857,21 4.011,23 8.341,24 20.024,25 0.025,26 2.049,27 2.811,29 18.041,30 3,31 3,32 67.693,33 0.74,34 2.3,35 0.979,36 1.671,37 1,38 0.522,39 12.008,40 15.749,41 12,43 0.149,44 9,45 22.415,47 24.179,48 25.947,49 27.719,50 0.623,51 9,52 7,55 1,57 0.591,58 20.655,59 11.21,60 13.923,62 12,63 11.435,65 0.807,67 4.706}
{0 CHEMBL107684,1 2,2 2,3 25.145,4 8,5 1,6 1,8 0.076,9 -0.019,10 4.92,11 26.533,12 28.664,13 1.333,14 0.023,15 0.96,17 30.859,18 33.016,19 22.242,20 0.94,21 3.981,23 8.236,24 19.997,25 0.032,26 2.039,27 2.811,29 18.003,30 3,31 3,32 67.693,33 0.899,34 2.3,35 0.998,36 1.671,37 1,38 0.48,39 11.999,40 15.674,41 12,43 0.013,44 4,45 22.351,47 24.122,48 25.898,49 27.677,50 0.623,51 6,52 7,57 0.604,58 20.585,59 10.838,60 13.851,62 12,63 11.326,65 1.024,67 4.81}
{0 CHEMBL1077780,1 1,2 1,3 25.145,4 5,5 1,6 1,8 0.093,9 0.106,10 5.511,11 31.128,12 33.696,13 1.453,14 0.026,15 0.972,17 36.271,18 38.846,19 26.003,20 0.803,21 4.09,23 9.193,24 23.434,25 -0.059,26 2.099,27 6.409,29 20.914,30 1,31 1,32 18.011,33 0.808,34 2,35 -0.435,36 1.863,37 2,38 0.429,39 12.759,40 18.329,41 12,42 1,43 0.133,44 11,45 24.453,46 1,47 26.428,48 28.409,49 30.395,50 1.305,51 4,52 3.9,55 2,57 0.62,58 22.483,59 12.755,60 15.898,62 21,63 13.228,65 0.84,67 5}
{0 CHEMBL1077781,1 2,2 2,3 92.973,4 7,5 2,6 2,8 0.08,9 0.085,10 5.555,11 31.787,12 34.433,13 1.475,14 0.026,15 0.937,17 37.082,18 39.729,19 26.497,20 0.921,21 4.057,23 8.777,24 23.846,25 -0.06,26 2.102,27 10.238,29 21.225,30 2,31 2,32 60.694,33 0.875,34 6.4,35 0.251,36 2.708,37 3,38 0.429,39 24.206,40 18.56,41 12,42 1,43 0.061,44 10,45 24.523,46 1,47 26.538,48 28.559,49 30.583,50 2.494,51 4,52 4.3,57 0.625,58 22.514,59 12.643,60 16.014,62 18,63 13.278,65 0.847,67 5}
{0 CHEMBL1077963,1 2,2 2,3 92.973,4 4,5 2,6 2,7 1,8 0.083,9 -0.002,10 5.544,11 31.731,12 34.373,13 1.481,14 0.025,15 0.931,17 37.017,18 39.66,19 26.451,20 0.91,21 4.054,23 8.801,24 23.805,25 -0.127,26 2.097,27 10.238,29 21.188,30 2,31 2,32 60.694,33 0.929,34 6.1,35 0.267,36 2.708,37 6,38 0.414,39 23.93,40 18.53,41 12,42 1,43 0.012,44 8,45 24.509,46 1,47 26.523,48 28.542,49 30.566,50 2.494,51 3,52 6.1,57 0.639,58 22.502,59 12.569,60 15.987,62 18,63 13.261,65 0.922,67 5}
{0 CHEMBL1078232,1 2,2 2,3 61.29,4 4,5 2,6 2,8 0.083,9 -0.014,10 5.611,11 31.734,12 34.375,13 1.496,14 0.025,15 0.959,17 37.018,18 39.661,19 26.458,20 0.95,21 4.069,23 9.02,24 23.816,25 -0.19,26 2.11,27 8.165,29 21.207,30 1,31 1,32 18.011,33 0.948,34 4.8,35 -0.372,36 2.682,37 4,38 0.343,39 25.915,40 18.556,41 12,42 1,43 0.003,44 12,45 24.558,46 1,47 26.562,48 28.574,49 30.591,50 2.078,51 2,52 4.8,57 0.648,58 22.562,59 12.675,60 16.034,62 24,63 13.319,65 1.016,67 5}
{0 CHEMBL1078264,1 1,2 1,3 25.145,4 5,5 1,6 1,8 0.087,9 -0.075,10 5.493,11 31.071,12 33.646,13 1.453,14 0.03,15 1.016,17 36.228,18 38.809,19 25.933,20 1.035,21 4.169,22 1,23 12.072,24 23.359,25 -0.037,26 2.103,27 6.428,28 1,29 20.839,30 2,31 2,32 34.796,33 1.034,34 1.6,35 0.084,36 1.944,37 2,38 0.611,39 12.89,40 18.257,41 22,42 1,43 -0.065,44 12,45 24.416,46 1,47 26.383,48 28.358,49 30.34,50 1.305,51 5,52 4.9,56 1,57 0.625,58 22.458,59 12.715,60 15.851,62 29,63 13.19,64 1,65 1.056,67 5}
{0 CHEMBL1078336,1 2,2 2,3 92.973,4 6,5 2,6 2,8 0.083,9 -0.01,10 5.546,11 31.731,12 34.373,13 1.491,14 0.025,15 0.931,17 37.017,18 39.66,19 26.451,20 0.901,21 4.056,23 8.801,24 23.805,25 -0.127,26 2.101,27 10.238,29 21.188,30 2,31 2,32 60.694,33 0.905,34 6.1,35 0.267,36 2.708,37 5,38 0.414,39 23.946,40 18.53,41 12,42 1,43 0.013,44 12,45 24.509,46 1,47 26.523,48 28.542,49 30.566,50 2.494,51 3,52 6.1,57 0.639,58 22.502,59 12.619,60 15.987,62 18,63 13.261,65 0.947,67 5}
{0 CHEMBL1078337,1 2,2 2,3 92.973,4 6,5 2,6 2,8 0.083,9 0.135,10 5.547,11 31.731,12 34.373,13 1.49,14 0.025,15 0.931,17 37.017,18 39.66,19 26.451,20 0.882,21 4.056,23 8.801,24 23.805,25 -0.127,26 2.1,27 10.238,29 21.188,30 2,31 2,32 60.694,33 0.848,34 6.1,35 0.267,36 2.708,37 5,38 0.414,39 23.94,40 18.53,41 12,42 1,43 0.07,44 10,45 24.509,46 1,47 26.523,48 28.542,49 30.566,50 2.494,51 3,52 6.1,57 0.639,58 22.502,59 12.615,60 15.987,62 18,63 13.261,65 0.799,67 5}
{0 CHEMBL1078565,1 2,2 2,3 92.973,4 5,5 2,6 2,8 0.081,9 0.025,10 5.546,11 31.73,12 34.372,13 1.504,14 0.025,15 0.933,17 37.015,18 39.659,19 26.45,20 0.933,21 4.064,23 8.825,24 23.804,25 -0.057,26 2.111,27 10.238,29 21.188,30 2,31 2,32 60.694,33 0.92,34 5.7,35 0.212,36 2.708,37 3,38 0.4,39 23.839,40 18.529,41 12,42 1,43 0.01,44 12,45 24.508,46 1,47 26.522,48 28.542,49 30.565,50 2.494,51 3,52 3.8,57 0.616,58 22.502,59 12.622,60 15.986,62 18,63 13.261,65 0.926,67 5}
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{0 CHEMBL109012,1 2,2 2,3 25.145,4 7,5 1,6 1,8 0.076,9 -0.024,10 5.031,11 27.833,12 30.119,13 1.333,14 0.023,15 0.96,17 32.446,18 34.748,19 23.244,20 0.975,21 3.981,23 8.268,24 20.877,25 0.032,26 2.039,27 2.811,29 18.702,30 3,31 3,32 67.693,33 0.948,34 2.3,35 0.998,36 1.671,37 1,38 0.48,39 12.067,40 16.27,41 12,43 -0.024,44 4,45 22.796,47 24.636,48 26.483,49 28.335,50 0.623,51 7,52 7,57 0.604,58 20.963,59 10.942,60 14.263,62 12,63 11.661,65 1.026,67 5.567}
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{0 CHEMBL110164,1 2,2 2,3 58.145,4 7,5 1,6 1,7 1,8 0.072,9 0.081,10 5.09,11 28.142,12 30.444,13 1.333,14 0.026,15 0.925,17 32.777,18 35.095,19 23.535,20 0.853,21 3.99,23 8.621,24 21.176,25 -0.124,26 2.039,27 2.869,29 18.982,30 3,31 3,32 67.693,33 0.795,34 7.3,35 0.917,36 2.278,37 3,38 0.414,39 12.421,40 16.564,41 12,43 0.083,44 3,45 22.979,47 24.81,48 26.648,49 28.491,50 0.623,51 5,52 5.5,57 0.625,58 21.154,59 11.317,60 14.531,62 12,63 11.949,65 0.854,67 5.821}
{0 CHEMBL110352,1 2,2 2,3 25.145,4 4,5 1,6 1,8 0.069,9 -0.005,10 5.074,11 28.341,12 30.687,13 1.333,14 0.029,15 0.96,17 33.052,18 35.407,19 23.645,20 1.031,21 3.981,23 8.291,24 21.251,25 0.032,26 2.039,27 2.811,29 18.987,30 3,31 3,32 67.693,33 0.982,34 2.3,35 0.998,36 1.671,37 1,38 0.48,39 12.11,40 16.535,41 12,43 -0.046,44 5,45 22.932,47 24.8,48 26.674,49 28.553,50 0.623,51 9,52 7,57 0.604,58 21.074,59 11.012,60 14.425,62 12,63 11.81,65 1.004,67 5.268}
{0 CHEMBL110572,1 2,2 2,3 25.145,4 10,5 1,6 1,8 0.062,9 -0.04,10 5.144,11 28.475,12 30.824,13 1.333,14 0.019,15 0.994,17 33.199,18 35.561,19 23.77,20 0.934,21 4.113,23 9.996,24 21.368,25 0.059,26 2.141,27 2.811,29 19.111,30 3,31 3,32 67.693,33 0.904,34 2,35 0.86,36 1.671,37 1,38 0.607,39 12.451,40 16.653,41 17,43 0.006,44 6,45 22.997,47 24.855,48 26.719,49 28.589,50 0.623,51 8,52 6.1,57 0.596,58 21.148,59 11.612,60 14.555,62 18,63 11.933,65 1.074,67 5.387}
{0 CHEMBL1270208,1 1,2 1,3 36.145,4 1,5 1,6 1,7 1,8 0.083,9 0.123,10 5.015,11 28.231,12 30.48,13 1.158,14 0.034,15 0.976,17 32.747,18 35.007,19 23.732,20 1.004,21 4.035,23 10.64,24 21.447,25 -0.086,26 2.052,27 13.264,29 19.263,30 1,31 1,32 18.011,33 0.964,34 4.5,35 -0.268,36 2.941,37 6,38 0.581,39 12.471,40 16.93,41 18,43 0.032,44 4,45 23.309,47 25.131,48 26.955,49 28.781,50 3.075,51 2,52 6.8,57 0.647,58 21.491,59 11.496,60 14.852,62 18,63 12.38,65 1.072,67 5.328}
{0 CHEMBL1271309,1 1,2 1,3 25.145,4 1,5 1,6 1,7 1,8 0.066,9 0.013,10 5.003,11 27.237,12 29.411,13 1.187,14 0.03,15 0.989,17 31.635,18 33.832,19 22.869,20 0.938,21 4.05,23 10.47,24 20.6,25 -0.021,26 2.067,27 9.218,29 18.552,30 1,31 1,32 18.011,33 0.877,34 2.4,35 -0.396,36 2.444,37 4,38 0.667,39 12.526,40 16.199,41 18,43 0.072,44 9,45 22.721,47 24.503,48 26.289,49 28.08,51 4,52 7.1,57 0.6,58 20.944,59 11.558,60 14.32,62 18,63 11.77,65 0.973,67 4.523}
{0 CHEMBL1313991,3 42.683,8 0.074,9 -0.067,10 5.431,11 29.486,12 31.934,13 1.299,14 0.033,15 0.911,17 34.389,18 36.842,19 24.594,20 1.046,21 4.008,23 8.41,24 22.134,25 0.032,26 2.062,27 14.919,29 19.735,30 3,31 3,32 75.581,33 1.01,34 2.6,35 1.103,36 3.11,37 4,38 0.571,40 17.252,41 12,43 0.008,44 2,45 23.653,47 25.589,48 27.531,49 29.477,51 2,52 7.7,57 0.6,58 21.725,59 12.096,60 14.959,62 12,63 12.39,65 1.101,66 1,67 6.523}
{0 CHEMBL1425238,3 42.683,8 0.035,9 -0.004,10 4.768,11 24.891,12 26.886,13 1.38,14 0.018,15 0.885,17 29.003,18 31.031,19 20.803,20 0.953,21 3.901,23 6.542,24 18.585,25 -0.044,26 1.977,27 13.675,29 16.762,30 3,31 3,32 75.581,33 0.943,34 2.9,35 1.311,36 2.913,37 4,38 0.375,40 14.422,41 6,44 1,45 21.039,47 22.738,48 24.443,49 26.151,51 2,52 8.6,57 0.594,58 19.346,59 9.331,60 12.808,62 6,63 10.233,65 0.924,66 1,67 5.921}
{0 CHEMBL16,1 2,2 2,3 50.29,4 6,5 2,6 2,7 1,8 0.089,9 0.051,10 5.733,11 33.37,12 36.15,13 1.228,14 0.018,15 0.988,17 38.931,18 41.712,19 27.81,20 1.095,21 4.066,23 8.115,24 25.024,25 0.037,26 2.061,27 10.257,29 22.256,30 2,31 2,32 36.022,33 0.972,34 6.5,35 0.341,36 2.768,38 0.571,39 23.886,40 19.454,41 12,42 1,43 0.06,44 1,45 25.309,47 27.409,48 29.512,49 31.617,50 2.521,51 8,52 6.5,57 0.632,58 23.211,59 13.015,60 16.729,62 17,63 13.856,65 0.791,67 4}
{0 CHEMBL1631095,1 2,2 2,3 50.29,4 2,5 2,6 2,7 2,8 0.096,9 0.29,10 5.37,11 30.795,12 33.275,13 1.234,14 0.037,15 1.001,17 35.768,18 38.259,19 25.841,20 0.975,21 4.119,23 11.097,24 23.342,25 0.023,26 2.082,27 16.793,28 1,29 20.921,30 4,31 4,32 65.794,33 0.843,34 4.7,35 1.728,36 3.796,37 4,38 0.515,39 23.02,40 18.391,41 17,43 0.123,44 2,45 24.699,47 26.643,48 28.592,49 30.545,50 4.586,52 9.3,53 0.868,57 0.637,58 22.759,59 12.354,60 16.069,62 17,63 13.432,65 0.807,67 5.879}
{0 CHEMBL1788304,1 3,2 1,3 44.313,4 1,5 2,6 2,8 0.073,9 -0.084,10 5.212,11 29.362,12 31.731,13 1.268,14 0.025,15 1,17 34.124,18 36.509,19 24.629,20 1.16,21 4.094,23 11.372,24 22.225,25 -0.093,26 2.065,27 5.136,29 19.947,30 1,31 1,32 16.405,33 1.077,34 3.4,35 -0.352,36 2.044,37 5,38 0.5,39 22.781,40 17.5,41 18,43 -0.132,44 16,45 23.782,47 25.643,48 27.508,49 29.379,50 1.377,51 1,52 5.2,55 1,57 0.621,58 21.928,59 12.12,60 15.358,62 25,63 12.777,65 1.082,67 4}
{0 CHEMBL1796068,1 4,2 3,3 61.29,4 2,5 2,6 2,7 2,8 0.078,9 0.081,10 5.277,11 29.747,12 32.132,13 1.436,14 0.022,15 0.975,17 34.541,18 36.938,19 24.973,20 1.037,21 4.195,22 1,23 10.503,24 22.537,25 -0.236,26 2.076,27 7.997,28 1,29 20.238,30 1,31 1,32 18.011,33 1.011,34 4.2,35 -0.401,36 2.558,37 13,38 0.256,39 26.368,40 17.745,41 10,43 -0.019,44 12,45 24.031,47 25.911,48 27.796,49 29.684,50 1.738,51 1,52 5.6,53 2.296,55 3,56 1,57 0.664,58 22.157,59 12.401,60 15.582,62 26,63 12.928,64 2,65 0.939,67 4.523}
{0 CHEMBL1797387,1 1,2 1,3 45.879,4 4,5 1,6 1,8 0.098,9 -0.02,10 5.287,11 29.51,12 31.92,13 1.12,14 0.031,15 0.974,17 34.351,18 36.776,19 24.695,20 1.32,21 4.031,23 10.301,24 22.249,25 -0.008,26 1.982,27 9.542,29 19.928,30 1,31 1,32 18.011,33 1.339,34 7.7,35 -0.236,36 2.371,37 3,38 0.586,39 12.178,40 17.432,41 17,43 -0.349,45 23.736,47 25.623,48 27.514,49 29.41,50 1.784,51 1,52 5.1,57 0.648,58 21.856,59 11.735,60 15.25,62 17,63 12.599,65 0.852,67 5.26}
{0 CHEMBL1797388,1 1,2 1,3 45.879,4 5,5 1,6 1,8 0.091,9 -0.005,10 5.285,11 29.431,12 31.851,13 1.133,14 0.029,15 0.973,17 34.291,18 36.724,19 24.598,20 1.275,21 4.031,23 10.16,24 22.145,25 0.004,26 1.991,27 9.542,29 19.815,30 1,31 1,32 18.011,33 1.35,34 7.7,35 -0.256,36 2.371,37 3,38 0.607,39 12.189,40 17.315,41 17,43 -0.354,44 2,45 23.604,47 25.49,48 27.382,49 29.278,50 1.784,51 1,52 5.1,57 0.644,58 21.726,59 11.639,60 15.131,62 17,63 12.48,65 0.959,67 5.06}
{0 CHEMBL1797389,1 1,2 1,3 45.879,4 5,5 1,6 1,8 0.092,9 -0.023,10 5.287,11 29.439,12 31.857,13 1.132,14 0.027,15 0.972,17 34.296,18 36.728,19 24.61,20 1.291,21 4.03,23 10.275,24 22.158,25 0.007,26 1.976,27 9.542,29 19.833,30 1,31 1,32 18.011,33 1.387,34 7.7,35 -0.236,36 2.371,37 3,38 0.586,39 12.241,40 17.333,41 17,43 -0.391,44 2,45 23.627,47 25.51,48 27.399,49 29.294,50 1.784,51 1,52 5.1,57 0.648,58 21.751,59 11.657,60 15.16,62 17,63 12.508,65 0.986,67 5.58}
{0 CHEMBL1797390,1 1,2 1,3 45.879,4 6,5 1,6 1,8 0.085,9 0.196,10 5.285,11 29.429,12 31.849,13 1.167,14 0.027,15 0.961,17 34.29,18 36.723,19 24.597,20 0.915,21 4.036,23 10.354,24 22.144,25 -0.137,26 2.031,27 9.542,29 19.818,30 1,31 1,32 18.011,33 1.001,34 6.4,35 -0.288,36 2.457,37 5,38 0.567,39 12.329,40 17.321,41 17,43 0.008,44 4,45 23.616,47 25.497,48 27.386,49 29.279,50 1.847,51 1,52 6.4,57 0.652,58 21.742,59 11.731,60 15.148,62 17,63 12.503,65 0.686,67 4.59}
{0 CHEMBL1797391,1 1,2 1,3 56.879,4 5,5 1,6 1,7 1,8 0.078,9 -0.034,10 5.292,11 29.412,12 31.836,13 1.105,14 0.027,15 0.947,17 34.279,18 36.715,19 24.569,20 1.115,21 4.031,23 10.421,24 22.11,25 -0.122,26 1.984,27 9.542,29 19.777,30 1,31 1,32 18.011,33 1.249,34 8.3,35 -0.268,36 2.5,37 8,38 0.548,39 12.288,40 17.272,41 17,43 -0.229,44 2,45 23.545,47 25.429,48 27.321,49 29.219,50 1.784,51 1,52 6.3,55 1,57 0.655,58 21.669,59 11.635,60 15.096,62 17,63 12.446,65 0.945,67 5.06}
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{0 CHEMBL1797394,1 1,2 1,3 45.879,5 1,6 1,8 0.103,9 -0.141,10 5.346,11 29.929,12 32.374,13 1.122,14 0.034,15 0.964,17 34.839,18 37.299,19 25.049,20 1.471,21 4.039,23 10.317,24 22.572,25 -0.098,26 1.984,27 9.648,29 20.218,33 1.523,34 7.1,35 -0.671,36 2.429,37 3,38 0.567,39 12.546,40 17.694,41 17,43 -0.516,45 23.972,47 25.872,48 27.778,49 29.687,50 1.847,52 4.8,57 0.652,58 22.077,59 11.891,60 15.477,62 17,63 12.803,65 0.95,67 4.48}
{0 CHEMBL1797395,1 1,2 1,3 45.879,4 4,5 1,6 1,8 0.095,9 0.019,10 5.296,11 29.574,12 31.988,13 1.128,14 0.031,15 0.97,17 34.423,18 36.852,19 24.752,20 1.163,21 4.037,23 10.327,24 22.303,25 -0.009,26 1.982,27 9.542,29 19.977,30 1,31 1,32 18.011,33 1.123,34 7.1,35 -0.252,36 2.371,37 3,38 0.567,39 12.294,40 17.479,41 17,43 -0.156,44 2,45 23.766,47 25.654,48 27.546,49 29.443,50 1.784,51 2,52 4.8,57 0.643,58 21.885,59 11.777,60 15.292,62 17,63 12.641,65 0.813,67 5.14}
{0 CHEMBL1797396,1 1,2 1,3 56.879,4 5,5 1,6 1,7 1,8 0.087,9 -0.047,10 5.295,11 29.507,12 31.93,13 1.133,14 0.028,15 0.959,17 34.374,18 36.811,19 24.666,20 1.116,21 4.032,23 10.214,24 22.21,25 -0.051,26 1.991,27 9.543,29 19.876,30 1,31 1,32 18.011,33 1.278,34 9.3,35 -0.252,36 2.592,37 2,38 0.567,39 12.352,40 17.373,41 17,43 -0.307,44 1,45 23.642,47 25.529,48 27.421,49 29.319,50 1.784,51 1,52 4.7,57 0.652,58 21.762,59 11.679,60 15.184,62 17,63 12.531,65 1.005,67 4.55}
{0 CHEMBL1797398,1 1,2 1,3 45.879,4 3,5 1,6 1,8 0.098,9 0.094,10 5.293,11 29.51,12 31.92,13 1.12,14 0.031,15 0.975,17 34.351,18 36.776,19 24.695,20 1.233,21 4.036,23 10.301,24 22.249,25 -0.016,26 1.983,27 9.542,29 19.928,30 1,31 1,32 18.011,33 1.121,34 7.7,35 -0.236,36 2.371,37 3,38 0.586,39 12.117,40 17.432,41 17,43 -0.144,45 23.736,47 25.623,48 27.514,49 29.41,50 1.784,51 1,52 5.1,57 0.648,58 21.856,59 11.794,60 15.25,62 17,63 12.599,65 0.859,67 4.8}
{0 CHEMBL1797399,1 1,2 1,3 45.879,4 4,5 1,6 1,8 0.098,9 -0.177,10 5.313,11 29.51,12 31.92,13 1.221,14 0.031,15 0.967,17 34.351,18 36.776,19 24.695,20 1.235,21 4.058,23 10.301,24 22.249,25 -0.013,26 2.04,27 9.542,29 19.928,30 1,31 1,32 18.011,33 1.213,34 6.7,35 -0.309,36 2.371,37 3,38 0.586,39 12.244,40 17.432,41 17,43 -0.273,44 2,45 23.736,47 25.623,48 27.514,49 29.41,50 1.784,51 3,52 4.4,57 0.63,58 21.856,59 11.999,60 15.25,62 17,63 12.599,65 1.04,67 5.11}
{0 CHEMBL1797400,1 1,2 1,3 34.879,4 7,5 1,6 1,8 0.098,9 -0.028,10 5.255,11 29.51,12 31.92,13 1.14,14 0.031,15 0.984,17 34.351,18 36.776,19 24.695,20 1.242,21 4.036,23 10.301,24 22.249,25 0.008,26 1.994,27 6.114,29 19.928,30 2,31 2,32 36.022,33 1.242,34 5,35 0.341,36 1.848,37 2,38 0.586,39 12.289,40 17.432,41 17,42 1,43 -0.245,45 23.736,47 25.623,48 27.514,49 29.41,50 1.195,51 4,52 7.5,57 0.648,58 21.856,59 11.755,60 15.25,62 17,63 12.599,65 0.85,67 5.07}
{0 CHEMBL1797401,1 1,2 1,3 34.879,4 7,5 1,6 1,8 0.098,9 -0.186,10 5.28,11 29.51,12 31.92,13 1.221,14 0.031,15 0.978,17 34.351,18 36.776,19 24.695,20 1.189,21 4.061,23 10.301,24 22.249,26 2.041,27 6.114,29 19.928,30 2,31 2,32 36.022,33 1.155,34 4.3,35 0.267,36 1.848,37 2,38 0.586,39 12.355,40 17.432,41 17,42 1,43 -0.212,44 2,45 23.736,47 25.623,48 27.514,49 29.41,50 1.195,51 6,52 6.5,57 0.63,58 21.856,59 12.015,60 15.25,62 17,63 12.599,65 1.042,67 4.98}
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{0 CHEMBL2012180,3 11,7 4,8 0.047,9 -0.16,10 5.323,11 29.469,12 31.905,13 1.392,14 0.019,15 1.025,16 1,17 34.357,18 36.803,19 24.603,20 1.158,21 4.17,22 1,23 11.877,24 22.139,25 -0.23,26 2.049,27 0.525,28 1,29 19.794,33 1.212,34 1.9,35 -0.726,36 1.51,37 10,38 0.618,40 17.287,41 21,43 -0.209,44 2,45 23.505,47 25.385,48 27.275,49 29.173,50 0.325,52 9.6,53 1.811,54 1,55 1,56 2,57 0.692,58 21.635,59 11.599,60 15.112,61 1,62 28,63 12.458,64 2,65 1.372,66 1,67 7.523}
{0 CHEMBL2012181,3 11,7 4,8 0.047,9 -0.191,10 5.314,11 29.469,12 31.905,13 1.392,14 0.019,15 1.021,16 1,17 34.357,18 36.803,19 24.603,20 1.219,21 4.165,22 1,23 11.877,24 22.139,25 -0.278,26 2.049,27 0.525,28 1,29 19.794,33 1.29,34 1.9,35 -0.726,36 1.51,37 10,38 0.618,40 17.287,41 21,43 -0.256,44 3,45 23.505,47 25.385,48 27.275,49 29.173,50 0.325,52 9.6,53 2.054,54 1,55 1,56 2,57 0.692,58 21.635,59 11.509,60 15.112,61 1,62 28,63 12.458,64 2,65 1.155,66 1,67 7.097}
{0 CHEMBL2012244,3 11,7 4,8 0.049,9 -0.189,10 5.227,11 28.763,12 31.128,13 1.392,14 0.013,15 1.025,16 1,17 33.518,18 35.897,19 24.038,20 1.158,21 4.165,22 1,23 11.851,24 21.633,25 -0.277,26 2.049,27 0.525,28 1,29 19.375,33 1.207,34 1.9,35 -0.751,36 1.51,37 11,38 0.636,40 16.923,41 21,43 -0.213,44 2,45 23.227,47 25.076,48 26.933,49 28.797,50 0.325,52 9.6,53 2.148,54 1,55 1,56 2,57 0.69,58 21.387,59 11.412,60 14.838,61 1,62 28,63 12.227,64 2,65 1.164,66 1,67 6.699}
{0 CHEMBL2012245,3 11,7 4,8 0.047,9 -0.134,10 5.252,11 28.856,12 31.229,13 1.392,14 0.016,15 1.018,17 33.627,18 36.015,19 24.116,20 1.091,21 4.171,22 1,23 11.874,24 21.7,25 -0.268,26 2.053,27 0.525,28 1,29 19.441,33 1.124,34 1.8,35 -0.759,36 1.51,37 13,38 0.618,40 16.975,41 21,43 -0.139,44 4,45 23.272,47 25.12,48 26.977,49 28.842,50 0.325,52 9.1,53 2.169,54 1,55 1,56 2,57 0.683,58 21.434,59 11.471,60 14.898,61 1,62 28,63 12.273,64 2,65 1.084,66 1,67 6.456}
{0 CHEMBL2012246,3 11,7 4,8 0.059,9 -0.103,10 5.362,11 29.974,12 32.414,13 1.392,14 0.023,15 1.018,17 34.867,18 37.316,19 25.103,20 1.121,21 4.174,22 1,23 11.939,24 22.642,25 -0.174,26 2.051,27 16.1,28 1,29 20.274,33 1.125,34 1.8,35 -0.691,36 3.193,37 11,38 0.568,40 17.779,41 21,43 -0.13,44 2,45 24.108,47 26.025,48 27.949,49 29.878,50 3.911,52 9.1,53 1.699,54 1,55 1,56 2,57 0.689,58 22.199,59 11.687,60 15.538,61 1,62 28,63 12.923,64 2,65 1.279,66 1,67 5.804}
{0 CHEMBL2012247,3 11,7 6,8 0.049,9 -0.158,10 5.23,11 28.763,12 31.128,13 1.392,14 0.013,15 1.02,16 1,17 33.518,18 35.897,19 24.038,20 1.138,21 4.155,23 11.851,24 21.633,25 -0.217,26 2.048,27 0.525,28 1,29 19.375,33 1.183,34 2,35 -0.717,36 1.51,37 11,38 0.636,40 16.923,41 21,43 -0.198,44 2,45 23.227,47 25.076,48 26.933,49 28.797,50 0.325,52 11.8,53 1.898,54 1,55 1,56 1,57 0.69,58 21.387,59 11.432,60 14.838,61 1,62 28,63 12.227,64 1,65 1.148,66 1,67 6.032}
{0 CHEMBL2012249,3 11,7 4,8 0.058,9 -0.218,10 5.659,11 31.441,12 34.054,13 1.393,14 0.024,15 0.985,16 1,17 36.674,18 39.291,19 26.22,20 1.231,21 4.091,23 10.996,24 23.596,25 -0.259,26 2.038,27 0.719,29 21.033,33 1.235,34 1.7,35 -0.767,36 1.702,37 11,38 0.486,40 18.391,41 17,43 -0.25,44 4,45 24.468,46 1,47 26.456,48 28.453,49 30.456,50 0.57,52 8.3,55 1,56 1,57 0.677,58 22.49,59 12.652,60 15.948,61 1,62 28,63 13.219,64 1,65 1.19,66 1,67 6.602}
{0 CHEMBL2012250,1 1,2 1,3 36.145,5 1,6 1,7 5,8 0.068,9 -0.22,10 5.78,11 32.219,12 34.898,13 1.393,14 0.026,15 0.982,16 1,17 37.583,18 40.266,19 26.865,20 1.241,21 4.087,23 11.048,24 24.175,25 -0.259,26 2.038,27 8.449,29 21.541,33 1.243,34 3.4,35 -0.743,36 2.497,37 12,38 0.472,39 13.318,40 18.831,41 17,43 -0.26,44 4,45 24.909,46 1,47 26.938,48 28.976,49 31.019,50 1.738,52 8.5,55 1,56 1,57 0.68,58 22.89,59 12.998,60 16.31,61 1,62 28,63 13.518,64 1,65 1.193,66 1,67 6.886}
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{0 CHEMBL2069403,1 1,2 1,3 36.145,4 2,5 1,6 1,7 3,8 0.074,9 -0.014,10 5.21,11 29.087,12 31.428,13 1.353,14 0.024,15 0.997,17 33.796,18 36.151,19 24.404,20 1.007,21 4.096,23 11.416,24 22.011,25 -0.144,26 2.094,27 1.689,28 1,29 19.768,30 1,31 1,32 18.011,33 0.991,34 3.3,35 -0.341,36 1.893,37 7,38 0.472,39 13.015,40 17.314,41 17,43 -0.041,44 2,45 23.658,47 25.513,48 27.374,49 29.238,50 0.57,51 1,52 10,53 1.502,55 1,57 0.672,58 21.809,59 11.971,60 15.222,62 29,63 12.598,65 0.971,67 5.3}
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{0 CHEMBL2069410,1 1,2 1,3 58.145,4 3,5 1,6 1,7 1,8 0.08,9 0.039,10 5.235,11 29.09,12 31.425,13 1.332,14 0.027,15 0.972,17 33.785,18 36.137,19 24.426,20 0.92,21 4.071,23 11.555,24 22.057,25 -0.102,26 2.091,27 13.264,29 19.814,30 1,31 1,32 18.011,33 0.883,34 7.5,35 -0.275,36 3.061,37 7,38 0.486,39 12.622,40 17.403,41 18,43 0.07,44 6,45 23.732,47 25.578,48 27.428,49 29.283,50 3.075,51 2,52 5.7,55 1,57 0.669,58 21.891,59 11.925,60 15.29,62 24,63 12.745,65 0.873,67 5.4}
{0 CHEMBL2069411,1 1,2 1,3 89.828,4 4,5 1,6 1,7 1,8 0.074,9 0.051,10 5.225,11 29.031,12 31.371,13 1.334,14 0.026,15 0.959,17 33.733,18 36.088,19 24.358,20 0.954,21 4.072,23 11.442,24 21.987,25 -0.075,26 2.096,27 13.264,29 19.735,30 2,31 2,32 60.694,33 0.906,34 7.5,35 0.252,36 3.047,37 8,38 0.5,39 12.618,40 17.325,41 18,43 0.051,44 6,45 23.633,47 25.48,48 27.332,49 29.189,50 3.075,51 3,52 5.7,55 1,57 0.659,58 21.792,59 11.885,60 15.203,62 24,63 12.665,65 0.796,67 5.2}
{0 CHEMBL2069412,1 1,2 1,3 89.828,4 5,5 1,6 1,7 1,8 0.07,9 0.003,10 5.23,11 29.049,12 31.39,13 1.336,14 0.025,15 0.959,17 33.753,18 36.109,19 24.374,20 0.979,21 4.074,23 11.46,24 22.001,25 -0.075,26 2.097,27 13.264,29 19.75,30 2,31 2,32 60.694,33 0.931,34 7.5,35 0.252,36 3.047,37 8,38 0.5,39 12.628,40 17.336,41 18,43 0.012,44 7,45 23.64,47 25.488,48 27.34,49 29.198,50 3.075,51 3,52 5.7,55 1,57 0.659,58 21.798,59 11.902,60 15.215,62 24,63 12.671,65 0.806,67 5.2}
{0 CHEMBL2069413,1 1,2 1,3 100.828,4 4,5 1,6 1,7 1,8 0.07,9 -0.003,10 5.232,11 29.028,12 31.368,13 1.334,14 0.023,15 0.945,17 33.73,18 36.085,19 24.356,20 0.954,21 4.073,23 11.641,24 21.985,25 -0.096,26 2.096,27 13.264,29 19.733,30 2,31 2,32 60.694,33 0.937,34 8.3,35 0.231,36 3.115,37 8,38 0.462,39 12.747,40 17.324,41 18,43 0.015,44 6,45 23.633,47 25.479,48 27.331,49 29.188,50 3.075,51 3,52 5,55 1,57 0.66,58 21.792,59 11.886,60 15.203,62 24,63 12.665,65 0.708,67 5.1}
{0 CHEMBL2069414,1 1,2 1,3 100.828,4 4,5 1,6 1,7 1,8 0.075,9 0.009,10 5.234,11 29.048,12 31.384,13 1.334,14 0.024,15 0.934,17 33.743,18 36.095,19 24.385,20 0.94,21 4.076,23 11.745,24 22.019,25 -0.094,26 2.097,27 13.264,29 19.774,30 2,31 2,32 60.694,33 0.932,34 7.9,35 0.216,36 3.115,37 8,38 0.45,39 12.778,40 17.37,41 18,43 0.029,44 8,45 23.703,47 25.547,48 27.396,49 29.25,50 3.075,51 3,52 4.8,55 2,57 0.655,58 21.864,59 11.944,60 15.255,62 24,63 12.72,65 0.718,67 5}
{0 CHEMBL2069415,1 1,2 1,3 100.828,4 4,5 1,6 1,7 1,8 0.075,9 -0.028,10 5.245,11 29.087,12 31.422,13 1.337,14 0.024,15 0.943,17 33.782,18 36.134,19 24.423,20 1.029,21 4.08,23 11.754,24 22.055,25 -0.094,26 2.1,27 13.264,29 19.812,30 2,31 2,32 60.694,33 1.022,34 7.9,35 0.216,36 3.115,37 8,38 0.45,39 12.792,40 17.402,41 18,43 -0.053,44 6,45 23.731,47 25.577,48 27.427,49 29.281,50 3.075,51 4,52 4.8,55 1,57 0.655,58 21.891,59 12.004,60 15.289,62 24,63 12.745,65 0.751,67 5.3}
{0 CHEMBL2069416,1 1,2 1,3 36.145,4 3,5 1,6 1,7 2,8 0.068,9 0.009,10 5.226,11 29.084,12 31.425,13 1.333,14 0.022,15 1.017,17 33.793,18 36.149,19 24.4,20 0.996,21 4.096,23 12.272,24 22.006,25 0.025,26 2.093,27 1.663,28 1,29 19.76,30 1,31 1,32 18.011,33 0.977,34 3.8,35 -0.361,36 1.552,37 7,38 0.657,39 12.955,40 17.305,41 23,43 -0.023,44 3,45 23.643,47 25.501,48 27.364,49 29.23,51 2,52 9.6,53 1.485,55 1,57 0.645,58 21.791,59 12.077,60 15.206,62 29,63 12.577,65 0.964,67 4.5}
{0 CHEMBL2069417,1 1,2 1,3 47.145,4 3,5 1,6 1,7 4,8 0.066,9 0.079,10 5.224,11 28.975,12 31.32,13 1.333,14 0.019,15 0.971,17 33.692,18 36.052,19 24.28,20 0.948,21 4.079,23 10.851,24 21.882,25 -0.062,26 2.093,27 1.723,28 1,29 19.63,30 1,31 1,32 18.011,33 0.89,34 5.8,35 -0.302,36 1.824,37 5,38 0.531,39 12.766,40 17.171,41 17,43 0.041,44 1,45 23.501,47 25.361,48 27.226,49 29.094,51 2,52 9.6,53 1.488,55 1,57 0.655,58 21.648,59 11.955,60 15.068,62 23,63 12.436,65 0.877,67 4.5}
{0 CHEMBL2069418,1 1,2 1,3 47.145,4 3,5 1,6 1,7 4,8 0.066,9 0.089,10 5.224,11 28.975,12 31.32,13 1.332,14 0.019,15 0.971,17 33.692,18 36.052,19 24.28,20 0.985,21 4.078,23 10.851,24 21.882,25 -0.062,26 2.092,27 1.723,28 1,29 19.63,30 1,31 1,32 18.011,33 0.939,34 5.8,35 -0.302,36 1.824,37 5,38 0.531,39 12.764,40 17.171,41 17,43 0.007,44 1,45 23.501,47 25.361,48 27.226,49 29.094,51 2,52 9.6,53 1.487,55 1,57 0.655,58 21.648,59 11.951,60 15.068,62 23,63 12.436,65 0.874,67 4.5}
{0 CHEMBL2069419,1 1,2 1,3 36.145,4 3,5 1,6 1,7 2,8 0.064,9 -0.103,10 5.224,11 28.979,12 31.324,13 1.332,14 0.023,15 0.969,17 33.695,18 36.055,19 24.286,20 1.12,21 4.082,23 10.851,24 21.888,25 -0.018,26 2.092,27 1.663,28 1,29 19.638,30 1,31 1,32 18.011,33 1.149,34 3.7,35 -0.336,36 1.552,37 6,38 0.531,39 12.807,40 17.179,41 17,43 -0.19,44 2,45 23.513,47 25.371,48 27.234,49 29.101,51 2,52 9.3,53 1.599,55 2,57 0.638,58 21.661,59 11.976,60 15.082,62 23,63 12.451,65 1.096,67 4.5}
{0 CHEMBL2069420,1 1,2 1,3 47.145,4 3,5 1,6 1,7 1,8 0.068,9 -0.043,10 5.221,11 29.023,12 31.363,13 1.33,14 0.023,15 0.978,16 1,17 33.726,18 36.081,19 24.347,20 0.932,21 4.064,23 11.263,24 21.974,25 -0.125,26 2.088,27 13.264,29 19.717,30 1,31 1,32 18.011,33 0.938,34 5.9,35 -0.279,36 2.99,37 9,38 0.514,39 12.62,40 17.305,41 18,43 0.011,44 5,45 23.604,47 25.455,48 27.311,49 29.17,50 3.075,51 2,52 7.8,55 1,57 0.672,58 21.759,59 11.838,60 15.172,62 24,63 12.629,65 0.87,66 1,67 5.4}
{0 CHEMBL2069421,1 1,2 1,3 58.145,4 3,5 1,6 1,7 1,8 0.074,9 0.071,10 5.224,11 29.031,12 31.371,13 1.33,14 0.026,15 0.968,17 33.733,18 36.088,19 24.358,20 0.915,21 4.065,23 11.442,24 21.987,25 -0.151,26 2.087,27 13.264,29 19.735,30 1,31 1,32 18.011,33 0.876,34 7.7,35 -0.262,36 3.061,37 8,38 0.5,39 12.617,40 17.325,41 18,43 0.072,44 5,45 23.633,47 25.48,48 27.332,49 29.189,50 3.075,51 2,52 7.7,55 1,57 0.682,58 21.792,59 11.849,60 15.203,62 24,63 12.665,65 0.79,66 1,67 5.2}
{0 CHEMBL2069422,1 1,2 1,3 58.145,4 3,5 1,6 1,7 1,8 0.073,9 -0.037,10 5.223,11 29.028,12 31.368,13 1.33,14 0.026,15 0.965,17 33.73,18 36.085,19 24.356,20 0.91,21 4.065,23 11.513,24 21.985,25 -0.147,26 2.088,27 13.264,29 19.733,30 1,31 1,32 18.011,33 0.949,34 7.3,35 -0.275,36 3.061,37 9,38 0.486,39 12.677,40 17.324,41 18,43 0.006,44 5,45 23.632,47 25.479,48 27.331,49 29.188,50 3.075,51 2,52 7.3,55 1,57 0.676,58 21.792,59 11.857,60 15.202,62 24,63 12.665,65 0.9,66 1,67 5.4}
{0 CHEMBL2069423,1 1,2 1,3 58.145,4 3,5 1,6 1,7 1,8 0.073,9 0.007,10 5.223,11 29.028,12 31.368,13 1.33,14 0.026,15 0.965,17 33.73,18 36.085,19 24.356,20 0.892,21 4.066,23 11.513,24 21.985,25 -0.147,26 2.088,27 13.264,29 19.733,30 1,31 1,32 18.011,33 0.886,34 7.3,35 -0.275,36 3.115,37 7,38 0.486,39 12.687,40 17.324,41 18,43 0.054,44 5,45 23.632,47 25.479,48 27.331,49 29.188,50 3.075,51 2,52 7.3,55 1,57 0.676,58 21.792,59 11.868,60 15.202,62 24,63 12.665,65 0.845,66 1,67 5}
{0 CHEMBL2069424,1 1,2 1,3 47.145,4 3,5 1,6 1,7 1,8 0.076,9 0.073,10 5.223,11 29.029,12 31.369,13 1.33,14 0.025,15 0.978,17 33.732,18 36.087,19 24.354,20 0.961,21 4.068,23 11.325,24 21.981,25 -0.125,26 2.09,27 13.264,29 19.727,30 1,31 1,32 18.011,33 0.892,34 5.9,35 -0.279,36 2.99,37 10,38 0.514,39 12.598,40 17.315,41 18,43 0.06,44 6,45 23.621,47 25.469,48 27.323,49 29.18,50 3.075,51 2,52 7.8,55 1,57 0.672,58 21.778,59 11.853,60 15.19,62 24,63 12.648,65 0.779,66 1,67 5.3}
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{0 CHEMBL2069426,1 1,2 1,3 47.145,4 2,5 1,6 1,7 1,8 0.076,9 0.057,10 5.219,11 29.029,12 31.369,13 1.325,14 0.025,15 0.978,17 33.732,18 36.087,19 24.354,20 0.954,21 4.066,23 11.325,24 21.981,25 -0.125,26 2.088,27 13.264,29 19.727,30 1,31 1,32 18.011,33 0.883,34 5.9,35 -0.279,36 2.99,37 8,38 0.514,39 12.596,40 17.315,41 18,43 0.072,44 5,45 23.621,47 25.469,48 27.323,49 29.18,50 3.075,51 2,52 7.8,55 1,57 0.672,58 21.778,59 11.825,60 15.19,62 24,63 12.648,65 0.782,67 5.5}
{0 CHEMBL2069427,1 1,2 1,3 58.145,4 2,5 1,6 1,7 1,8 0.073,9 -0.007,10 5.219,11 29.028,12 31.368,13 1.325,14 0.026,15 0.965,17 33.73,18 36.085,19 24.356,20 0.887,21 4.065,23 11.513,24 21.985,25 -0.147,26 2.085,27 13.264,29 19.733,30 1,31 1,32 18.011,33 0.878,34 7.3,35 -0.275,36 3.115,37 6,38 0.486,39 12.684,40 17.324,41 18,43 0.065,44 4,45 23.632,47 25.479,48 27.331,49 29.188,50 3.075,51 2,52 7.3,55 1,57 0.676,58 21.792,59 11.839,60 15.202,62 24,63 12.665,65 0.848,67 4.9}
{0 CHEMBL2069428,1 1,2 1,3 47.145,4 2,5 1,6 1,7 1,8 0.074,9 -0.003,10 5.218,11 29.026,12 31.366,13 1.325,14 0.025,15 0.974,17 33.729,18 36.084,19 24.351,20 0.927,21 4.068,23 11.396,24 21.979,25 -0.122,26 2.088,27 13.264,29 19.725,30 1,31 1,32 18.011,33 0.892,34 5.6,35 -0.292,36 3.047,37 7,38 0.5,39 12.665,40 17.314,41 18,43 0.055,44 5,45 23.62,47 25.468,48 27.321,49 29.179,50 3.075,51 2,52 7.4,55 1,57 0.667,58 21.778,59 11.844,60 15.189,62 24,63 12.648,65 0.836,67 4.7}
{0 CHEMBL208957,1 2,2 2,3 50.29,4 3,5 2,6 2,8 0.094,9 0.021,10 5.316,11 29.886,12 32.283,13 1.264,14 0.029,15 0.977,17 34.7,18 37.11,19 25.095,20 0.922,21 4.165,23 10.863,24 22.665,25 -0.147,26 2.086,27 9.072,28 1,29 20.344,30 2,31 2,32 32.897,33 0.847,34 3.6,35 0.27,36 3.016,37 9,38 0.457,39 25.749,40 17.873,41 16,43 0.117,44 3,45 24.155,47 26.041,48 27.93,49 29.824,50 2.262,51 2,52 10.7,54 1,55 2,56 1,57 0.672,58 22.274,59 12.295,60 15.669,62 22,63 13.066,64 1,65 0.853,66 1,67 4.222}
{0 CHEMBL209064,1 2,2 2,3 50.29,4 3,5 2,6 2,8 0.094,9 0.031,10 5.288,11 29.886,12 32.283,13 1.274,14 0.029,15 0.977,16 1,17 34.7,18 37.11,19 25.095,20 0.932,21 4.167,23 10.863,24 22.665,25 -0.147,26 2.099,27 9.072,28 1,29 20.344,30 2,31 2,32 32.897,33 0.856,34 3.6,35 0.27,36 3.016,37 6,38 0.457,39 25.755,40 17.873,41 16,43 0.118,44 2,45 24.155,47 26.041,48 27.93,49 29.824,50 2.262,51 2,52 10.7,54 1,55 2,56 1,57 0.672,58 22.274,59 12.317,60 15.669,62 22,63 13.066,64 1,65 0.854,67 4}
{0 CHEMBL2092889,1 3,2 1,3 55.313,5 2,6 2,8 0.065,9 -0.093,10 5.228,11 29.126,12 31.476,13 1.268,14 0.02,15 0.995,17 33.847,18 36.21,19 24.43,20 1.156,21 4.079,23 11.128,24 22.045,25 -0.169,26 2.061,27 6.85,29 19.778,30 1,31 1,32 16.405,33 1.091,34 5.4,35 -0.361,36 2.383,37 4,38 0.529,39 22.741,40 17.35,41 18,43 -0.143,44 19,45 23.629,47 25.484,48 27.344,49 29.208,50 1.47,51 1,52 5.4,55 1,57 0.629,58 21.78,59 11.977,60 15.212,62 25,63 12.65,65 1.041,67 4.523}
{0 CHEMBL2092890,1 3,2 1,3 44.313,4 1,5 2,6 2,8 0.073,9 -0.084,10 5.212,11 29.362,12 31.731,13 1.268,14 0.025,15 1,17 34.124,18 36.509,19 24.629,20 1.16,21 4.094,23 11.372,24 22.225,25 -0.093,26 2.065,27 5.136,29 19.947,30 1,31 1,32 16.405,33 1.077,34 3.4,35 -0.352,36 2.044,37 5,38 0.5,39 22.781,40 17.5,41 18,43 -0.132,44 16,45 23.782,47 25.643,48 27.508,49 29.379,50 1.377,51 1,52 5.2,55 1,57 0.621,58 21.928,59 12.12,60 15.358,62 25,63 12.777,65 1.082,67 4}
{0 CHEMBL2093896,1 3,2 1,3 55.313,5 2,6 2,8 0.07,9 -0.061,10 5.231,11 29.131,12 31.48,13 1.272,14 0.023,15 0.988,17 33.851,18 36.214,19 24.438,20 1.098,21 4.08,23 11.34,24 22.055,25 -0.14,26 2.057,27 13.676,29 19.793,30 1,31 1,32 16.405,33 0.981,34 5,35 -0.352,36 3.341,37 4,38 0.5,39 22.81,40 17.369,41 18,43 -0.072,44 20,45 23.657,47 25.508,48 27.364,49 29.224,50 1.47,51 1,52 5,55 1,57 0.621,58 21.812,59 12.001,60 15.241,62 25,63 12.686,65 1.012,67 4.523}
{0 CHEMBL210829,1 2,2 2,3 50.29,4 3,5 2,6 2,8 0.094,9 0.043,10 5.284,11 29.886,12 32.283,13 1.275,14 0.029,15 0.977,16 1,17 34.7,18 37.11,19 25.095,20 0.915,21 4.166,23 10.863,24 22.665,25 -0.147,26 2.098,27 9.072,28 1,29 20.344,30 2,31 2,32 32.897,33 0.832,34 3.6,35 0.27,36 3.016,37 6,38 0.457,39 25.756,40 17.873,41 16,43 0.133,44 2,45 24.155,47 26.041,48 27.93,49 29.824,50 2.262,51 2,52 10.7,54 1,55 2,56 1,57 0.672,58 22.274,59 12.321,60 15.669,62 22,63 13.066,64 1,65 0.841,67 4}
{0 CHEMBL2147209,1 1,2 1,3 47.145,4 1,5 1,6 1,7 1,8 0.079,9 -0.024,10 5.096,11 28.538,12 30.828,13 1.261,14 0.029,15 0.953,17 33.138,18 35.439,19 23.959,20 0.897,21 4.039,23 10.906,24 21.635,25 -0.146,26 2.054,27 13.264,29 19.418,30 1,31 1,32 18.011,33 0.921,34 5.7,35 -0.262,36 3.047,37 4,38 0.514,39 12.391,40 17.055,41 18,43 0.059,44 5,45 23.403,47 25.234,48 27.071,49 28.91,50 3.075,51 3,52 7.5,57 0.659,58 21.577,59 11.602,60 14.956,62 18,63 12.466,65 0.89,67 4.5}
{0 CHEMBL2147210,1 1,2 1,3 47.145,4 3,5 1,6 1,7 1,8 0.077,9 -0.008,10 5.085,11 28.502,12 30.79,13 1.268,14 0.026,15 0.953,17 33.096,18 35.394,19 23.927,20 0.863,21 4.04,23 10.886,24 21.608,25 -0.147,26 2.066,27 13.264,29 19.387,30 1,31 1,32 18.011,33 0.907,34 5.7,35 -0.279,36 2.99,37 7,38 0.529,39 12.343,40 17.029,41 18,43 0.052,44 6,45 23.375,47 25.208,48 27.046,49 28.887,50 3.075,51 3,52 7.5,57 0.656,58 21.546,59 11.604,60 14.92,62 18,63 12.436,65 0.899,66 1,67 4.9}
{0 CHEMBL2147211,1 1,2 1,3 47.145,4 2,5 1,6 1,7 1,8 0.077,9 -0.074,10 5.077,11 28.502,12 30.79,13 1.26,14 0.026,15 0.953,17 33.096,18 35.394,19 23.927,20 0.914,21 4.038,23 10.886,24 21.608,25 -0.147,26 2.062,27 13.264,29 19.387,30 1,31 1,32 18.011,33 0.98,34 5.7,35 -0.279,36 2.99,37 6,38 0.529,39 12.34,40 17.029,41 18,43 -0.002,44 5,45 23.375,47 25.208,48 27.046,49 28.887,50 3.075,51 3,52 7.5,57 0.656,58 21.546,59 11.567,60 14.92,62 18,63 12.436,65 0.954,67 5.2}
{0 CHEMBL2147212,1 1,2 1,3 47.145,4 2,5 1,6 1,7 1,8 0.073,9 -0.09,10 5.078,11 28.507,12 30.794,13 1.26,14 0.025,15 0.954,17 33.098,18 35.396,19 23.935,20 0.927,21 4.038,23 11.091,24 21.617,25 -0.126,26 2.062,27 13.431,29 19.4,30 1,31 1,32 18.011,33 0.973,34 5.7,35 -0.246,36 3.389,37 6,38 0.5,39 12.334,40 17.042,41 18,43 -0.007,44 5,45 23.39,47 25.222,48 27.058,49 28.897,50 3.509,51 3,52 7.5,55 1,57 0.662,58 21.564,59 11.572,60 14.942,62 18,63 12.454,65 0.844,67 5.2}
{0 CHEMBL2147213,1 1,2 1,3 36.145,4 3,5 1,6 1,7 1,8 0.072,9 -0.057,10 5.077,11 28.493,12 30.782,13 1.274,14 0.022,15 0.969,17 33.088,18 35.387,19 23.913,20 0.897,21 4.043,23 10.628,24 21.592,25 -0.082,26 2.074,27 13.264,29 19.364,30 1,31 1,32 18.011,33 0.922,34 4,35 -0.316,36 2.912,37 7,38 0.563,39 12.296,40 17.002,41 18,43 0.032,44 7,45 23.338,47 25.177,48 27.019,49 28.863,50 3.075,51 3,52 6,57 0.633,58 21.504,59 11.593,60 14.88,62 18,63 12.39,65 0.894,67 5.2}
{0 CHEMBL2147214,1 1,2 1,3 36.145,4 3,5 1,6 1,7 1,8 0.079,9 -0.003,10 5.084,11 28.498,12 30.787,13 1.268,14 0.025,15 0.962,17 33.093,18 35.391,19 23.92,20 0.913,21 4.044,23 10.766,24 21.599,25 -0.12,26 2.07,27 13.264,29 19.376,30 1,31 1,32 18.011,33 0.924,34 3.8,35 -0.297,36 2.912,37 9,38 0.545,39 12.323,40 17.015,41 18,43 0.039,44 7,45 23.358,47 25.194,48 27.033,49 28.875,50 3.075,51 3,52 7.7,57 0.645,58 21.528,59 11.609,60 14.902,62 18,63 12.414,65 0.885,66 1,67 5.3}
{0 CHEMBL2147215,1 1,2 1,3 78.828,4 4,5 1,6 1,7 1,8 0.077,9 -0.052,10 5.084,11 28.502,12 30.79,13 1.276,14 0.026,15 0.944,17 33.096,18 35.394,19 23.927,20 0.916,21 4.05,23 10.886,24 21.608,25 -0.069,26 2.078,27 13.264,29 19.387,30 2,31 2,32 60.694,33 0.961,34 5.6,35 0.239,36 2.974,37 7,38 0.529,39 12.343,40 17.029,41 18,43 0.01,44 7,45 23.375,47 25.208,48 27.046,49 28.887,50 3.075,51 4,52 5.6,57 0.633,58 21.546,59 11.65,60 14.92,62 18,63 12.436,65 0.925,67 4.9}
{0 CHEMBL2147216,1 1,2 1,3 36.145,4 3,5 1,6 1,7 1,8 0.079,9 0.044,10 5.084,11 28.498,12 30.787,13 1.269,14 0.025,15 0.962,17 33.093,18 35.391,19 23.92,20 0.892,21 4.045,23 10.766,24 21.599,25 -0.12,26 2.07,27 13.264,29 19.376,30 1,31 1,32 18.011,33 0.854,34 3.8,35 -0.297,36 2.974,37 7,38 0.545,39 12.333,40 17.015,41 18,43 0.093,44 7,45 23.358,47 25.194,48 27.033,49 28.875,50 3.075,51 3,52 7.7,57 0.645,58 21.528,59 11.622,60 14.902,62 18,63 12.414,65 0.825,66 1,67 4.5}
{0 CHEMBL2147217,1 1,2 1,3 47.145,4 3,5 1,6 1,7 1,8 0.076,9 0.059,10 5.11,11 28.497,12 30.787,13 1.268,14 0.02,15 0.951,17 33.093,18 35.391,19 23.92,20 0.924,21 4.044,23 10.895,24 21.599,25 -0.143,26 2.07,27 13.264,29 19.376,30 1,31 1,32 18.011,33 0.882,34 5.4,35 -0.292,36 2.99,37 8,38 0.514,39 12.393,40 17.015,41 18,43 0.067,44 7,45 23.359,47 25.194,48 27.033,49 28.875,50 3.075,51 3,52 7.1,57 0.652,58 21.529,59 11.599,60 14.903,62 18,63 12.414,65 0.656,66 1,67 4.5}
{0 CHEMBL2147218,1 1,2 1,3 47.145,4 4,5 1,6 1,7 1,8 0.082,9 0.075,10 5.112,11 28.586,12 30.867,13 1.269,14 0.022,15 0.948,17 33.169,18 35.461,19 24.021,20 0.88,21 4.047,23 10.96,24 21.7,25 -0.139,26 2.07,27 13.264,29 19.488,30 1,31 1,32 18.011,33 0.825,34 5.1,35 -0.304,36 2.99,37 8,38 0.5,39 12.546,40 17.121,41 18,43 0.119,44 8,45 23.487,47 25.322,48 27.161,49 29.002,50 3.075,51 3,52 6.8,57 0.647,58 21.656,59 11.73,60 15.02,62 18,63 12.516,65 0.616,66 1,67 4.5}
{0 CHEMBL2147219,1 2,2 2,3 50.29,4 4,5 2,6 2,7 1,8 0.086,9 0.119,10 5.084,11 28.556,12 30.838,13 1.269,14 0.021,15 0.962,17 33.138,18 35.431,19 23.993,20 0.926,21 4.048,23 11.009,24 21.678,25 -0.108,26 2.07,27 13.264,29 19.465,30 2,31 2,32 36.022,33 0.875,34 3.4,35 0.235,36 2.953,37 7,38 0.5,39 24.418,40 17.106,41 18,43 0.074,44 8,45 23.477,47 25.311,48 27.148,49 28.988,50 3.075,51 4,52 8.6,57 0.64,58 21.647,59 11.785,60 15.003,62 18,63 12.51,65 0.682,66 1,67 5.2}
{0 CHEMBL2147220,1 1,2 1,3 25.145,4 4,5 1,6 1,7 1,8 0.077,9 0.17,10 5.084,11 28.497,12 30.787,13 1.269,14 0.02,15 0.968,17 33.093,18 35.391,19 23.92,20 0.918,21 4.048,23 10.832,24 21.599,25 -0.112,26 2.07,27 13.264,29 19.376,30 2,31 2,32 36.022,33 0.868,34 1.8,35 0.239,36 2.878,37 7,38 0.529,39 12.398,40 17.015,41 18,43 0.074,44 7,45 23.359,47 25.194,48 27.033,49 28.875,50 3.075,51 4,52 8.9,57 0.641,58 21.528,59 11.64,60 14.903,62 18,63 12.414,65 0.627,66 1,67 4.5}
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{0 CHEMBL2147222,1 1,2 1,3 47.145,4 3,5 1,6 1,7 1,8 0.083,9 -0.042,10 5.159,11 28.853,12 31.178,13 1.263,14 0.027,15 0.954,17 33.523,18 35.861,19 24.207,20 0.839,21 4.044,23 10.91,24 21.852,25 -0.135,26 2.06,27 13.264,29 19.604,30 1,31 1,32 18.011,33 0.91,34 5.7,35 -0.262,36 2.99,37 7,38 0.514,39 12.334,40 17.211,41 18,43 0.048,44 5,45 23.546,47 25.392,48 27.243,49 29.098,50 3.075,51 2,52 7.5,57 0.659,58 21.705,59 11.728,60 15.082,62 18,63 12.567,65 0.919,66 1,67 5.5}
{0 CHEMBL2147223,1 1,2 1,3 47.145,4 4,5 1,6 1,7 1,8 0.083,9 -0.002,10 5.151,11 28.853,12 31.178,13 1.27,14 0.027,15 0.953,17 33.523,18 35.861,19 24.207,20 0.809,21 4.039,23 10.91,24 21.852,25 -0.146,26 2.055,27 13.264,29 19.604,30 1,31 1,32 18.011,33 0.859,34 5.7,35 -0.262,36 2.99,37 7,38 0.514,39 12.395,40 17.211,41 18,43 0.096,44 6,45 23.546,47 25.392,48 27.243,49 29.098,50 3.075,51 2,52 7.5,57 0.659,58 21.705,59 11.666,60 15.082,62 18,63 12.567,65 0.893,66 1,67 5.3}
{0 CHEMBL2147224,1 1,2 1,3 58.145,4 3,5 1,6 1,7 1,8 0.082,9 -0.024,10 5.173,11 28.955,12 31.29,13 1.271,14 0.026,15 0.943,17 33.647,18 35.996,19 24.289,20 0.864,21 4.043,23 10.933,24 21.925,25 -0.169,26 2.062,27 13.264,29 19.667,30 1,31 1,32 18.011,33 0.909,34 7,35 -0.275,36 3.061,37 9,38 0.5,39 12.466,40 17.268,41 18,43 0.038,44 5,45 23.582,47 25.431,48 27.284,49 29.142,50 3.075,51 2,52 7,57 0.662,58 21.739,59 11.769,60 15.13,62 18,63 12.61,65 0.871,66 1,67 5.2}
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{0 CHEMBL2147226,1 1,2 1,3 47.145,4 3,5 1,6 1,7 1,8 0.082,9 0.035,10 5.183,11 28.955,12 31.29,13 1.276,14 0.026,15 0.949,17 33.647,18 35.996,19 24.289,20 0.817,21 4.05,23 10.978,24 21.925,25 -0.141,26 2.067,27 13.281,29 19.667,30 1,31 1,32 18.011,33 0.857,34 5.6,35 -0.275,36 3.338,37 8,38 0.5,39 12.432,40 17.268,41 18,43 0.087,44 6,45 23.582,47 25.431,48 27.284,49 29.142,50 3.075,51 3,52 9.3,57 0.654,58 21.739,59 11.84,60 15.13,62 18,63 12.61,65 0.849,66 1,67 4.5}
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{0 CHEMBL2164394,1 2,2 2,3 61.29,4 3,5 2,6 2,7 1,8 0.065,9 0.038,10 5.409,11 30.139,12 32.638,13 1.209,14 0.021,15 0.982,17 35.149,18 37.656,19 25.146,20 0.92,21 4.078,23 10.753,24 22.62,25 -0.144,26 2.008,27 11.628,29 20.198,30 1,31 1,32 18.011,33 0.9,34 5.8,35 -0.31,36 3.166,37 10,38 0.514,39 26.069,40 17.635,41 18,43 0.081,44 12,45 23.797,47 25.709,48 27.63,49 29.559,50 2.9,51 3,52 7.7,55 2,57 0.664,58 21.896,59 12.143,60 15.372,62 23,63 12.677,65 0.689,67 4.481}
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{0 CHEMBL229125,1 1,2 1,3 36.145,5 1,6 1,8 0.07,9 0.101,10 5.104,11 28.591,12 30.899,13 1.48,14 0.018,15 0.985,17 33.23,18 35.547,19 23.964,20 0.816,21 4.118,23 9.737,24 21.597,25 -0.086,26 2.149,27 9.578,29 19.364,33 0.806,34 3.8,35 -0.869,36 2.437,37 5,38 0.393,39 11.644,40 16.934,41 11,43 0.147,44 12,45 23.27,47 25.124,48 26.982,49 28.842,50 2.085,52 1.9,55 2,57 0.62,58 21.422,59 11.691,60 14.833,62 23,63 12.229,65 0.814,67 4.781}
{0 CHEMBL2337981,1 2,2 2,3 92.973,4 5,5 2,6 2,8 0.076,9 -0.15,10 5.378,11 30.479,12 32.993,13 1.485,14 0.033,15 0.886,17 35.511,18 38.032,19 25.469,20 1.098,21 4.019,23 7.973,24 22.966,25 -0.167,26 2.079,27 6.1,29 20.5,30 4,31 4,32 96.716,33 1.075,34 4.8,35 1.664,36 2.197,37 3,38 0.194,39 24.279,40 17.997,41 6,42 1,43 -0.107,44 6,45 24.065,46 1,47 25.991,48 27.924,49 29.862,50 1.305,51 3,52 6.5,57 0.633,58 22.146,59 12.491,60 15.618,62 12,63 13.06,65 1.161,67 4.481}
{0 CHEMBL250699,1 1,2 1,3 56.652,4 1,5 1,6 1,7 1,8 0.066,9 -0.028,10 5.021,11 27.344,12 29.527,13 1.094,14 0.029,15 0.971,17 31.757,18 33.962,19 22.96,20 0.927,21 4.036,23 10.067,24 20.687,25 -0.105,26 1.993,27 1.723,29 18.624,30 1,31 1,32 18.011,33 0.941,34 9.8,35 -0.317,36 1.824,37 7,38 0.63,39 12.404,40 16.272,41 17,43 0.032,44 5,45 22.768,47 24.553,48 26.342,49 28.135,51 2,52 2.4,57 0.64,58 20.989,59 11.504,60 14.374,62 17,63 11.831,65 0.997,67 5.134}
{0 CHEMBL320248,1 2,2 2,3 25.145,4 8,5 1,6 1,8 0.067,9 0.065,10 4.938,11 26.034,12 28.142,13 1.185,14 0.025,15 0.959,17 30.307,18 32.44,19 21.794,20 0.985,21 3.982,23 8.114,24 19.582,25 0.05,26 2.025,27 14.919,29 17.612,30 3,31 3,32 67.693,33 0.84,34 2.3,35 0.989,36 3.286,37 1,38 0.5,39 11.943,40 15.319,41 12,43 0.006,44 2,45 21.976,47 23.728,48 25.486,49 27.249,50 0.623,51 4,52 6.8,57 0.587,58 20.23,59 10.838,60 13.531,62 12,63 11.037,65 0.958,67 4.967}
{0 CHEMBL320314,1 2,2 2,3 36.145,4 5,5 1,6 1,7 1,8 0.082,9 0.069,10 5.202,11 29.05,12 31.447,13 1.23,14 0.03,15 0.99,17 33.86,18 36.267,19 24.261,20 0.874,21 4.163,22 1,23 10.559,24 21.834,25 -0.022,26 2.028,27 3.239,28 1,29 19.519,30 4,31 4,32 67.693,33 0.824,34 4.2,35 1.697,36 1.974,37 4,38 0.571,39 12.123,40 17.047,41 16,43 0.081,44 5,45 23.323,47 25.195,48 27.074,49 28.958,50 0.623,51 6,52 8.3,56 1,57 0.635,58 21.46,59 11.777,60 14.883,62 17,63 12.263,64 1,65 0.902,67 5.407}
{0 CHEMBL320332,1 2,2 2,3 25.145,4 9,5 1,6 1,8 0.081,9 0.049,10 4.868,11 26.065,12 28.168,13 1.228,14 0.032,15 0.964,17 30.33,18 32.459,19 21.837,20 1.052,21 3.991,23 8.18,24 19.627,25 0.032,26 2.029,27 2.811,29 17.672,30 3,31 3,32 67.693,33 0.974,34 2.5,35 1.024,36 1.671,37 1,38 0.522,39 11.93,40 15.381,41 12,43 -0.083,44 6,45 22.05,47 23.796,48 25.548,49 27.306,50 0.623,51 8,52 7.5,57 0.602,58 20.312,59 10.896,60 13.61,62 12,63 11.128,65 1.012,67 5.071}
{0 CHEMBL321883,1 2,2 2,3 36.145,4 7,5 1,6 1,8 0.065,9 -0.08,10 4.871,11 26.08,12 28.185,13 1.333,14 0.027,15 0.947,17 30.347,18 32.477,19 21.848,20 1.001,21 3.985,23 8.226,24 19.646,25 -0.03,26 2.039,27 2.831,29 17.675,30 3,31 3,32 67.693,33 0.988,34 4.3,35 0.957,36 1.917,37 3,38 0.48,39 11.996,40 15.395,41 12,43 -0.067,44 5,45 22.04,47 23.79,48 25.547,49 27.308,50 0.623,51 7,52 6.4,57 0.604,58 20.295,59 10.858,60 13.598,62 12,63 11.12,65 1.091,67 5.678}
{0 CHEMBL322055,1 2,2 2,3 25.145,4 5,5 1,6 1,7 1,8 0.065,9 0.016,10 4.871,11 26.11,12 28.22,13 1.333,14 0.022,15 0.948,17 30.385,18 32.519,19 21.871,20 1.031,21 3.995,23 8.171,24 19.665,25 -0.084,26 2.04,27 3.401,29 17.69,30 2,31 2,32 36.022,33 0.96,34 2,35 0.214,36 1.798,37 1,38 0.48,39 12.167,40 15.406,41 12,43 -0.037,44 5,45 22.043,47 23.795,48 25.552,49 27.314,50 0.623,51 5,52 6.1,57 0.594,58 20.298,59 10.902,60 13.606,62 12,63 11.124,65 0.996,67 5.046}
{0 CHEMBL322599,1 2,2 2,3 25.145,4 7,5 1,6 1,8 0.067,9 -0.001,10 4.861,11 26.034,12 28.142,13 1.333,14 0.025,15 0.96,17 30.307,18 32.44,19 21.794,20 0.963,21 3.982,23 8.114,24 19.582,25 0.028,26 2.039,27 2.811,29 17.612,30 3,31 3,32 67.693,33 0.901,34 2.3,35 0.989,36 1.671,37 1,38 0.5,39 11.905,40 15.319,41 12,43 0.01,44 5,45 21.976,47 23.728,48 25.486,49 27.249,50 0.623,51 7,52 7,57 0.598,58 20.23,59 10.78,60 13.531,62 12,63 11.037,65 0.998,67 5.444}
{0 CHEMBL324435,1 2,2 2,3 25.145,4 7,5 1,6 1,7 1,8 0.09,9 0.251,10 5.143,11 28.607,12 30.953,13 1.174,14 0.029,15 1.004,17 33.326,18 35.687,19 23.912,20 0.938,21 4.056,23 8.784,24 21.518,25 -0.053,26 2.025,27 3.235,29 19.264,30 2,31 2,32 49.683,33 0.815,34 2.6,35 0.284,36 1.785,37 4,38 0.522,39 12.156,40 16.816,41 12,43 0.125,44 11,45 23.181,47 25.038,48 26.9,49 28.767,50 0.81,51 9,52 7.9,57 0.631,58 21.33,59 11.516,60 14.71,62 17,63 12.1,65 0.755,67 4}
{0 CHEMBL375475,1 1,2 1,3 36.145,5 1,6 1,8 0.07,9 0.101,10 5.104,11 28.591,12 30.899,13 1.48,14 0.018,15 0.985,17 33.23,18 35.547,19 23.964,20 0.816,21 4.118,23 9.737,24 21.597,25 -0.086,26 2.149,27 9.578,29 19.364,33 0.806,34 3.8,35 -0.869,36 2.437,37 5,38 0.393,39 11.644,40 16.934,41 11,43 0.147,44 12,45 23.27,47 25.124,48 26.982,49 28.842,50 2.085,52 1.9,55 2,57 0.62,58 21.422,59 11.691,60 14.833,62 23,63 12.229,65 0.814,67 4.886}
{0 CHEMBL387671,3 22,8 0.066,9 0.096,10 5.134,11 28.556,12 30.863,13 1.487,14 0.011,15 0.977,17 33.192,18 35.507,19 23.931,20 0.809,21 4.117,23 9.642,24 21.566,25 -0.127,26 2.15,27 0.544,29 19.329,33 0.803,34 3.7,35 -0.869,36 1.593,37 3,38 0.393,40 16.899,41 11,43 0.14,44 11,45 23.235,47 25.091,48 26.951,49 28.814,50 0.325,52 1.9,55 2,57 0.63,58 21.383,59 11.578,60 14.791,62 24,63 12.183,65 0.809,67 5.398}
{0 CHEMBL387935,3 22,8 0.074,9 0.021,10 5.06,11 27.944,12 30.231,13 1.487,14 0.016,15 0.943,17 32.547,18 34.849,19 23.367,20 0.869,21 4.006,23 7.817,24 21.023,25 -0.186,26 2.078,27 0.544,29 18.838,33 0.852,34 4.2,35 -0.772,36 1.593,37 3,38 0.24,40 16.432,41 6,43 0.061,44 5,45 22.868,47 24.698,48 26.533,49 28.372,50 0.325,52 2.1,55 2,57 0.641,58 21.044,59 10.875,60 14.403,62 18,63 11.823,65 0.906,67 4.824}
{0 CHEMBL401258,1 1,2 1,3 34.652,4 1,5 1,6 1,8 0.072,9 0.016,10 5.007,11 27.235,12 29.424,13 1.132,14 0.029,15 0.994,17 31.658,18 33.869,19 22.843,20 0.986,21 4.044,23 10.063,24 20.571,25 -0.002,26 2.022,27 9.218,29 18.502,30 1,31 1,32 18.011,33 0.947,34 5.4,35 -0.369,36 2.444,37 4,38 0.68,39 12.223,40 16.157,41 17,43 0.003,44 8,45 22.668,47 24.455,48 26.246,49 28.042,51 3,52 5.4,57 0.609,58 20.886,59 11.52,60 14.248,62 17,63 11.717,65 0.962,67 5.699}
{0 CHEMBL421032,1 2,2 2,3 36.145,4 5,5 1,6 1,7 1,8 0.082,9 0.008,10 5.121,11 28.183,12 30.488,13 1.229,14 0.03,15 0.99,17 32.817,18 35.136,19 23.578,20 1.141,21 4.162,22 1,23 10.533,24 21.227,25 -0.022,26 2.028,27 3.239,28 1,29 19.025,30 4,31 4,32 67.693,33 1.03,34 4.2,35 1.697,36 1.974,37 4,38 0.571,39 12.113,40 16.618,41 16,43 -0.131,44 5,45 23.022,47 24.851,48 26.687,49 28.528,50 0.623,51 5,52 8.3,56 1,57 0.635,58 21.2,59 11.649,60 14.58,62 17,63 12.008,64 1,65 1.049,67 5.754}
{0 CHEMBL431643,1 2,2 2,3 25.145,4 7,5 1,6 1,8 0.069,9 -0.024,10 4.995,11 27.391,12 29.642,13 1.333,14 0.022,15 0.96,17 31.93,18 34.196,19 22.877,20 0.975,21 3.981,23 8.268,24 20.55,25 0.032,26 2.039,27 2.811,29 18.415,30 3,31 3,32 67.693,33 0.948,34 2.3,35 0.998,36 1.671,37 1,38 0.48,39 12.067,40 16.018,41 12,43 -0.024,44 4,45 22.539,47 24.356,48 26.18,49 28.011,50 0.623,51 7,52 7,57 0.604,58 20.731,59 10.923,60 14.062,62 12,63 11.486,65 1.026,67 5.103}
{0 CHEMBL432963,1 2,2 2,3 25.145,4 5,5 1,6 1,7 1,8 0.085,9 0.182,10 4.85,11 25.966,12 28.087,13 1.246,14 0.032,15 0.919,17 30.262,18 32.403,19 21.693,20 1.027,21 3.977,23 6.926,24 19.461,25 -0.053,26 2.025,27 3.226,29 17.466,30 3,31 3,32 50.908,33 0.866,34 2.8,35 1.193,36 1.744,37 2,38 0.353,39 11.727,40 15.15,41 6,43 0.017,44 5,45 21.806,47 23.572,48 25.344,49 27.121,50 0.623,51 5,52 8.3,57 0.588,58 20.045,59 10.626,60 13.328,62 6,63 10.819,65 0.813,67 5.046}
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{0 CHEMBL551921,1 1,2 1,3 34.879,4 3,5 1,6 1,7 1,8 0.081,9 0.085,10 5.236,11 29.007,12 31.329,13 1.408,14 0.028,15 1.023,17 33.676,18 36.016,19 24.37,20 0.904,21 4.126,23 12.903,24 22.01,25 -0.099,26 2.117,27 6.409,29 19.782,30 1,31 1,32 18.011,33 0.897,34 3.4,35 -0.382,36 1.863,37 7,38 0.579,39 12.72,40 17.368,41 22,42 1,43 0.061,44 11,45 23.702,47 25.546,48 27.393,49 29.244,50 1.305,51 4,52 8.6,54 1,55 3,57 0.674,58 21.863,59 12.228,60 15.274,62 32,63 12.7,65 0.901,67 5}
{0 CHEMBL552061,1 1,2 1,3 34.879,4 3,5 1,6 1,7 1,8 0.081,9 0.121,10 5.236,11 29.41,12 31.765,13 1.408,14 0.023,15 1.023,17 34.142,18 36.51,19 24.699,20 0.921,21 4.134,23 12.942,24 22.301,25 -0.099,26 2.122,27 6.409,29 20.028,30 1,31 1,32 18.011,33 0.89,34 3.4,35 -0.382,36 1.863,37 6,38 0.579,39 12.737,40 17.578,41 22,42 1,43 0.085,44 12,45 23.863,47 25.728,48 27.596,49 29.468,50 1.305,51 4,52 8.6,54 1,55 3,57 0.674,58 22.004,59 12.339,60 15.434,62 32,63 12.829,65 0.845,67 5}
{0 CHEMBL552196,1 1,2 1,3 77.562,4 5,5 1,6 1,8 0.099,9 0.172,10 5.233,11 29.107,12 31.453,13 1.421,14 0.028,15 0.949,17 33.821,18 36.178,19 24.411,20 0.721,21 4.082,23 9.108,24 22.02,25 -0.049,26 2.037,27 6.409,29 19.75,30 2,31 2,32 60.694,33 0.693,34 6.3,35 0.273,36 1.863,37 5,38 0.393,39 12.479,40 17.305,41 11,42 1,43 0.224,44 5,45 23.632,47 25.498,48 27.368,49 29.24,50 1.305,51 5,52 6.3,55 3,57 0.66,58 21.77,59 12.157,60 15.159,62 20,63 12.564,65 0.709,67 5}
{0 CHEMBL552338,1 1,2 1,3 25.145,4 2,5 1,6 1,8 0.082,9 -0.153,10 5.361,11 30.385,12 32.882,13 1.534,14 0.023,15 0.963,17 35.395,18 37.902,19 25.396,20 1.152,21 4.048,23 7.655,24 22.875,25 -0.071,26 2.088,27 16.1,29 20.445,30 1,31 1,32 18.011,33 1.144,34 2.3,35 -0.284,36 3.18,37 4,38 0.24,39 12.873,40 17.893,41 6,43 -0.162,44 4,45 24.175,47 26.124,48 28.078,49 30.036,50 3.911,52 4.5,55 2,57 0.641,58 22.233,59 11.879,60 15.574,62 15,63 12.91,65 1.09,67 4.585}
{0 CHEMBL552382,1 1,2 1,3 34.879,4 3,5 1,6 1,7 1,8 0.08,9 0.053,10 5.236,11 28.89,12 31.221,13 1.408,14 0.029,15 0.997,17 33.576,18 35.924,19 24.233,20 0.969,21 4.086,23 10.848,24 21.867,25 -0.143,26 2.032,27 6.409,29 19.625,30 1,31 1,32 18.011,33 0.954,34 3.8,35 -0.336,36 1.863,37 6,38 0.515,39 12.613,40 17.208,41 17,42 1,43 0.032,44 7,45 23.53,47 25.377,48 27.229,49 29.083,50 1.305,51 4,52 9.6,54 1,55 3,57 0.681,58 21.687,59 12.045,60 15.099,62 26,63 12.528,65 0.896,67 5}
{0 CHEMBL552402,1 1,2 1,3 34.652,4 3,5 1,6 1,8 0.079,9 -0.005,10 5.234,11 28.951,12 31.286,13 1.408,14 0.026,15 1.015,17 33.642,18 35.992,19 24.286,20 0.988,21 4.123,23 10.823,24 21.913,25 -0.128,26 2.032,27 6.409,29 19.664,30 1,31 1,32 18.011,33 0.99,34 4,35 -0.382,36 1.863,37 6,38 0.516,39 12.585,40 17.24,41 16,42 1,43 -0.013,44 5,45 23.546,47 25.397,48 27.251,49 29.109,50 1.305,51 4,52 6,54 1,55 3,57 0.667,58 21.7,59 12.132,60 15.122,62 26,63 12.541,65 0.935,67 5}
{0 CHEMBL555347,1 1,2 1,3 34.879,4 1,5 1,6 1,7 1,8 0.085,9 -0.041,10 5.219,11 29.615,12 32.038,13 1.408,14 0.035,15 0.987,17 34.474,18 36.911,19 24.787,20 1.251,21 4.047,23 10.638,24 22.359,25 -0.129,26 2.045,27 16.1,29 20.014,30 1,31 1,32 18.011,33 1.171,34 4.2,35 -0.25,36 3.269,37 6,38 0.515,39 12.415,40 17.563,41 17,42 1,43 -0.156,44 6,45 23.976,47 25.884,48 27.798,49 29.718,50 3.956,51 3,52 10.4,54 1,55 1,57 0.683,58 22.076,59 11.684,60 15.341,62 23,63 12.777,65 0.853,67 5}
{0 CHEMBL556487,1 1,2 1,3 34.879,4 3,5 1,6 1,8 0.08,9 0.001,10 5.236,11 28.89,12 31.221,13 1.408,14 0.029,15 0.997,17 33.576,18 35.924,19 24.233,20 1.018,21 4.086,23 10.848,24 21.867,25 -0.143,26 2.032,27 6.409,29 19.625,30 1,31 1,32 18.011,33 1.031,34 3.8,35 -0.336,36 1.863,37 8,38 0.515,39 12.615,40 17.208,41 17,42 1,43 -0.012,44 5,45 23.53,47 25.377,48 27.229,49 29.083,50 1.305,51 4,52 9.6,54 1,55 3,57 0.681,58 21.687,59 12.069,60 15.099,62 26,63 12.528,65 0.927,67 5}
{0 CHEMBL557032,1 1,2 1,3 34.879,4 3,5 1,6 1,7 3,8 0.08,9 0.017,10 5.24,11 28.89,12 31.221,13 1.408,14 0.029,15 0.994,17 33.576,18 35.924,19 24.233,20 0.971,21 4.085,23 10.848,24 21.867,25 -0.203,26 2.031,27 6.409,29 19.625,30 1,31 1,32 18.011,33 0.963,34 3.9,35 -0.302,36 1.863,37 4,38 0.515,39 12.606,40 17.208,41 17,42 1,43 0.027,44 5,45 23.53,47 25.377,48 27.229,49 29.083,50 1.305,51 4,52 11.8,54 1,55 3,57 0.698,58 21.687,59 12.037,60 15.099,62 26,63 12.528,65 0.917,67 5}
{0 CHEMBL558,3 11,4 2,8 0.105,9 -0.287,10 4.945,11 27.197,12 29.444,13 1.182,14 0.047,15 0.9,17 31.722,18 33.979,19 22.682,20 1.439,21 3.974,23 6.263,24 20.359,25 0.045,26 2.031,27 0.283,29 18.191,30 2,31 2,32 32.897,33 1.358,34 3.3,35 0.455,36 0.908,37 2,38 0.462,40 15.795,41 6,43 -0.468,45 22.317,47 24.156,48 26,49 27.846,52 3.3,55 1,57 0.558,58 20.483,59 10.641,60 13.761,62 6,63 11.194,65 1.299,67 4.562}
{0 CHEMBL559101,1 1,2 1,3 25.145,4 2,5 1,6 1,7 1,8 0.084,9 0.131,10 5.241,11 28.755,12 31.099,13 1.406,14 0.027,15 0.986,17 33.464,18 35.823,19 24.073,20 0.753,21 4.091,23 8.8,24 21.697,25 -0.123,26 2.046,27 6.409,28 1,29 19.437,30 1,31 1,32 18.011,33 0.772,34 2.2,35 -0.326,36 1.863,37 6,38 0.423,39 12.411,40 17.015,41 11,42 1,43 0.169,44 4,45 23.32,47 25.173,48 27.03,49 28.891,50 1.305,51 4,52 8.9,53 2.015,55 3,56 1,57 0.663,58 21.471,59 11.831,60 14.884,62 20,63 12.315,64 1,65 0.762,67 5}
{0 CHEMBL559531,1 2,2 2,3 102.707,4 4,5 2,6 2,8 0.09,9 0.065,10 5.236,11 28.918,12 31.244,13 1.408,14 0.033,15 0.972,17 33.595,18 35.939,19 24.275,20 0.988,21 4.09,23 11.306,24 21.917,25 -0.059,26 2.033,27 6.636,29 19.687,30 2,31 2,32 60.694,33 0.99,34 7.1,35 0.208,36 2.358,37 7,38 0.472,39 23.65,40 17.28,41 17,42 1,44 7,45 23.636,47 25.477,48 27.322,49 29.17,50 1.305,51 6,52 7.1,54 1,55 3,57 0.664,58 21.799,59 12.197,60 15.187,62 26,63 12.627,65 0.912,67 5}
{0 CHEMBL561259,1 1,2 1,3 34.879,4 3,5 1,6 1,8 0.084,9 0.173,10 5.235,11 28.755,12 31.099,13 1.409,14 0.027,15 0.976,17 33.464,18 35.823,19 24.073,20 0.802,21 4.078,23 8.8,24 21.697,25 -0.154,26 2.03,27 6.409,29 19.437,30 1,31 1,32 18.011,33 0.818,34 4.7,35 -0.284,36 1.863,37 4,38 0.423,39 12.384,40 17.015,41 11,42 1,43 0.141,44 5,45 23.32,47 25.173,48 27.03,49 28.891,50 1.305,51 4,52 9.3,55 3,57 0.685,58 21.471,59 11.858,60 14.884,62 20,63 12.315,65 0.727,67 5}
{0 CHEMBL561379,1 1,2 1,3 34.652,4 3,5 1,6 1,8 0.084,9 0.141,10 5.233,11 28.755,12 31.099,13 1.408,14 0.027,15 0.977,17 33.464,18 35.823,19 24.073,20 0.8,21 4.078,23 8.8,24 21.697,25 -0.111,26 2.031,27 6.409,29 19.437,30 1,31 1,32 18.011,33 0.806,34 4.7,35 -0.284,36 1.863,37 4,38 0.423,39 12.382,40 17.015,41 11,42 1,43 0.157,44 5,45 23.32,47 25.173,48 27.03,49 28.891,50 1.305,51 4,52 9.3,54 1,55 3,57 0.674,58 21.471,59 11.889,60 14.884,62 20,63 12.315,65 0.748,67 5}
{0 CHEMBL561788,1 1,2 1,3 34.879,4 3,5 1,6 1,8 0.089,9 -0.023,10 5.362,11 30.469,12 32.949,13 1.408,14 0.031,15 0.995,17 35.445,18 37.939,19 25.524,20 1.029,21 4.092,23 11.426,24 23.031,25 -0.061,26 2.033,27 16.1,29 20.63,30 1,31 1,32 18.011,33 1.001,34 3.6,35 -0.322,36 3.269,37 6,38 0.459,39 12.646,40 18.112,41 17,42 1,43 -0.013,44 7,45 24.387,47 26.315,48 28.249,49 30.189,50 3.956,51 4,52 7.1,54 1,55 3,57 0.667,58 22.466,59 12.373,60 15.828,62 26,63 13.201,65 0.706,67 5}
{0 CHEMBL562822,1 1,2 1,3 34.879,4 3,5 1,6 1,7 1,8 0.08,9 0.053,10 5.236,11 28.89,12 31.221,13 1.408,14 0.029,15 0.997,17 33.576,18 35.924,19 24.233,20 0.969,21 4.086,23 10.848,24 21.867,25 -0.143,26 2.032,27 6.409,29 19.625,30 1,31 1,32 18.011,33 0.954,34 3.8,35 -0.336,36 1.863,37 6,38 0.515,39 12.613,40 17.208,41 17,42 1,43 0.032,44 7,45 23.53,47 25.377,48 27.229,49 29.083,50 1.305,51 4,52 9.6,54 1,55 3,57 0.681,58 21.687,59 12.045,60 15.099,62 26,63 12.528,65 0.896,67 5}
{0 CHEMBL562869,1 1,2 1,3 25.145,4 3,5 1,6 1,8 0.086,9 -0.051,10 5.233,11 28.775,12 31.117,13 1.418,14 0.029,15 0.976,17 33.481,18 35.838,19 24.097,20 0.893,21 4.088,23 8.954,24 21.721,25 -0.054,26 2.035,27 6.409,28 1,29 19.466,30 1,31 1,32 18.011,33 0.951,34 2.1,35 -0.301,36 1.863,37 3,38 0.407,39 12.455,40 17.044,41 11,42 1,43 0.029,44 5,45 23.351,47 25.202,48 27.057,49 28.916,50 1.305,51 4,52 10.6,53 1.741,55 3,56 1,57 0.656,58 21.506,59 11.926,60 14.922,62 20,63 12.353,64 1,65 0.914,67 5}
{0 CHEMBL562926,1 1,2 1,3 34.879,4 3,5 1,6 1,7 1,8 0.074,9 -0.012,10 5.029,11 27.867,12 30.065,13 1.409,14 0.026,15 0.994,17 32.298,18 34.511,19 23.456,20 1.032,21 4.066,23 11.167,24 21.183,25 -0.134,26 2.037,27 6.409,29 19.077,30 1,31 1,32 18.011,33 1.044,34 3.4,35 -0.361,36 1.863,37 6,38 0.486,39 12.839,40 16.73,41 17,42 1,43 -0.037,44 8,45 23.206,47 25.011,48 26.819,49 28.628,50 1.305,51 4,52 8.6,54 1,55 2,57 0.669,58 21.405,59 11.685,60 14.762,62 30,63 12.223,65 0.964,67 5}
{0 CHEMBL563732,1 1,2 1,3 25.145,4 2,5 1,6 1,7 1,8 0.084,9 0.052,10 5.247,11 28.755,12 31.099,13 1.405,14 0.027,15 0.982,16 1,17 33.464,18 35.823,19 24.073,20 0.811,21 4.088,23 8.8,24 21.697,25 -0.201,26 2.046,27 6.409,28 1,29 19.437,30 1,31 1,32 18.011,33 0.853,34 2.3,35 -0.284,36 1.863,37 4,38 0.423,39 12.399,40 17.015,41 11,42 1,43 0.116,44 4,45 23.32,47 25.173,48 27.03,49 28.891,50 1.305,51 4,52 11.4,53 1.904,55 3,57 0.685,58 21.471,59 11.822,60 14.884,62 20,63 12.315,65 0.832,67 5}
{0 CHEMBL564547,1 1,2 1,3 34.879,4 3,5 1,6 1,8 0.086,9 0.038,10 5.235,11 28.775,12 31.117,13 1.408,14 0.029,15 0.971,17 33.481,18 35.838,19 24.097,20 0.872,21 4.08,23 8.954,24 21.721,25 -0.147,26 2.031,27 6.409,29 19.466,30 1,31 1,32 18.011,33 0.891,34 4.3,35 -0.301,36 1.863,37 6,38 0.407,39 12.436,40 17.044,41 11,42 1,43 0.074,44 5,45 23.351,47 25.202,48 27.057,49 28.916,50 1.305,51 4,52 8.7,54 1,55 3,57 0.677,58 21.506,59 11.92,60 14.922,62 20,63 12.353,65 0.835,67 5}
{0 CHEMBL564757,1 1,2 1,3 34.879,4 3,5 1,6 1,7 2,8 0.08,9 -0.005,10 5.236,11 28.89,12 31.221,13 1.408,14 0.029,15 0.997,17 33.576,18 35.924,19 24.233,20 1.007,21 4.086,23 10.848,24 21.867,25 -0.143,26 2.032,27 6.409,29 19.625,30 1,31 1,32 18.011,33 1.011,34 3.8,35 -0.336,36 1.863,37 8,38 0.515,39 12.614,40 17.208,41 17,42 1,43 -0.007,44 5,45 23.53,47 25.377,48 27.229,49 29.083,50 1.305,51 4,52 9.6,54 1,55 3,57 0.681,58 21.687,59 12.065,60 15.099,62 26,63 12.528,65 0.936,67 5}
{0 CHEMBL564975,1 1,2 1,3 25.145,4 2,5 1,6 1,7 1,8 0.084,9 0.052,10 5.241,11 28.755,12 31.099,13 1.406,14 0.027,15 0.98,17 33.464,18 35.823,19 24.073,20 0.811,21 4.088,23 8.8,24 21.697,25 -0.056,26 2.046,27 6.409,28 1,29 19.437,30 1,31 1,32 18.011,33 0.853,34 2.3,35 -0.284,36 1.863,37 4,38 0.423,39 12.399,40 17.015,41 11,42 1,43 0.116,44 4,45 23.32,47 25.173,48 27.03,49 28.891,50 1.305,51 4,52 11.4,53 1.904,55 3,56 1,57 0.663,58 21.471,59 11.833,60 14.884,62 20,63 12.315,64 1,65 0.832,67 5}
{0 CHEMBL569185,1 3,2 1,3 91.458,4 3,5 3,6 3,8 0.076,9 -0.076,10 5.258,11 29.349,12 31.734,13 1.281,14 0.032,15 0.949,17 34.14,18 36.538,19 24.582,20 1.082,21 4.067,23 9.182,24 22.165,25 -0.193,26 2.038,27 6.445,29 19.862,30 1,31 1,32 16.282,33 1.167,34 9.3,35 -0.268,36 2.297,37 6,38 0.387,39 36.2,40 17.408,41 12,42 1,43 -0.075,44 8,45 23.665,47 25.534,48 27.409,49 29.288,50 1.305,51 1,52 5.6,55 1,57 0.638,58 21.803,59 11.929,60 15.234,62 17,63 12.661,65 1.118,67 4.523}
{0 CHEMBL629,1 1,2 1,8 0.072,9 -0.176,10 5.188,11 29.066,12 31.461,13 1.277,14 0.015,15 0.993,17 33.877,18 36.283,19 24.274,20 1.031,21 4.091,23 9.759,24 21.834,25 -0.079,26 2.05,27 0.066,29 19.52,33 1.053,35 -0.938,36 0.673,37 1,38 0.522,40 17.027,41 12,43 -0.106,45 23.278,47 25.161,48 27.049,49 28.94,50 0.325,52 2.3,57 0.583,58 21.402,59 11.794,60 14.85,62 19,63 12.197,65 1.159,67 5.796}
{0 CHEMBL631,1 1,2 1,3 78.828,4 3,5 1,6 1,7 1,8 0.069,9 -0.036,10 5.036,11 27.574,12 29.848,13 1.255,14 0.023,15 0.905,17 32.149,18 34.435,19 23.017,20 0.953,21 4.002,23 8.772,24 20.686,25 -0.01,26 2.046,27 3.667,29 18.506,30 2,31 2,32 60.694,33 0.965,34 5.8,35 0.194,36 1.802,37 4,38 0.462,39 12.54,40 16.114,41 12,43 0.001,44 9,45 22.563,47 24.39,48 26.224,49 28.063,52 1.9,55 1,57 0.58,58 20.744,59 11.182,60 14.096,62 12,63 11.532,65 1.009,67 5.391}
{0 CHEMBL652,1 1,2 1,3 47.145,4 3,5 1,6 1,7 1,8 0.07,9 -0.053,10 5.095,11 28.734,12 31.028,13 1.412,14 0.031,15 0.921,17 33.333,18 35.632,19 24.144,20 0.982,21 3.993,23 8.079,24 21.824,25 -0.092,26 2.048,27 13.957,29 19.574,30 2,31 2,32 36.022,33 0.975,34 6.3,35 0.388,36 3.523,37 5,38 0.207,39 12.408,40 17.223,41 6,43 -0.022,44 3,45 23.502,47 25.347,48 27.195,49 29.045,50 3.745,51 2,52 4.2,55 1,57 0.652,58 21.661,59 11.297,60 15.054,62 12,63 12.604,65 1.04,67 5.187}
{0 CHEMBL698,1 1,2 1,3 36.145,5 1,6 1,8 0.077,9 -0.103,10 4.855,11 25.886,12 28,13 1.263,14 0.027,15 0.896,17 30.155,18 32.286,19 21.641,20 1.125,21 3.978,23 6.962,24 19.441,25 -0.285,26 2.025,27 6.88,29 17.439,30 1,31 1,32 18.011,33 1.092,34 4.7,35 -0.301,36 2.065,37 2,38 0.316,39 11.737,40 15.162,41 6,43 -0.08,44 1,45 21.807,47 23.57,48 25.339,49 27.111,50 0.325,51 2,52 4.7,57 0.605,58 20.05,59 10.491,60 13.322,62 6,63 10.852,65 1.103,67 6.276}
{0 CHEMBL741,4 3,8 0.102,9 -0.132,10 5.153,11 28.575,12 30.927,13 1.096,14 0.03,15 0.993,17 33.311,18 35.676,19 23.859,20 1.436,21 4.004,23 8.202,24 21.439,25 0.183,26 2.006,29 19.181,30 4,31 4,32 65.794,33 1.356,35 2.32,37 1,38 0.706,40 16.697,41 12,43 -0.27,45 23.096,47 24.967,48 26.842,49 28.722,51 1,52 21.7,57 0.656,58 21.231,59 10.99,60 14.587,62 12,63 11.937,65 0.934,67 4.208}