@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL3616

@attribute molecule_id {CHEMBL10,CHEMBL101253,CHEMBL102858,CHEMBL102991,CHEMBL103091,CHEMBL103667,CHEMBL105442,CHEMBL1080994,CHEMBL1080995,CHEMBL1084411,CHEMBL1090360,CHEMBL1173655,CHEMBL119385,CHEMBL1214929,CHEMBL1214932,CHEMBL1230020,CHEMBL1236107,CHEMBL1240703,CHEMBL1241674,CHEMBL124660,CHEMBL1256416,CHEMBL1258117,CHEMBL1258348,CHEMBL1258349,CHEMBL1287853,CHEMBL1289926,CHEMBL1336,CHEMBL1421,CHEMBL146846,CHEMBL146847,CHEMBL14762,CHEMBL148745,CHEMBL149313,CHEMBL149604,CHEMBL149873,CHEMBL150264,CHEMBL150422,CHEMBL151731,CHEMBL151800,CHEMBL151822,CHEMBL151823,CHEMBL1614701,CHEMBL162,CHEMBL1721885,CHEMBL177308,CHEMBL177635,CHEMBL1789941,CHEMBL1794808,CHEMBL180022,CHEMBL1800956,CHEMBL1807163,CHEMBL1908391,CHEMBL1908392,CHEMBL1908393,CHEMBL1908394,CHEMBL1908395,CHEMBL1908396,CHEMBL1908397,CHEMBL191003,CHEMBL1929238,CHEMBL1996510,CHEMBL206866,CHEMBL208637,CHEMBL210032,CHEMBL210618,CHEMBL210928,CHEMBL210963,CHEMBL2147531,CHEMBL2147532,CHEMBL2147533,CHEMBL2147534,CHEMBL2147535,CHEMBL2147536,CHEMBL2147537,CHEMBL2147538,CHEMBL2147539,CHEMBL2147540,CHEMBL2147541,CHEMBL2147542,CHEMBL2147543,CHEMBL2147544,CHEMBL2147545,CHEMBL2147546,CHEMBL2147547,CHEMBL2147548,CHEMBL2147549,CHEMBL2147550,CHEMBL2147551,CHEMBL2147552,CHEMBL2148106,CHEMBL2148107,CHEMBL2148108,CHEMBL2151406,CHEMBL2151407,CHEMBL2151408,CHEMBL2151409,CHEMBL2151410,CHEMBL2151411,CHEMBL2151412,CHEMBL2151413,CHEMBL2151414,CHEMBL2151415,CHEMBL215152,CHEMBL2153747,CHEMBL2153748,CHEMBL2153749,CHEMBL2153750,CHEMBL2153751,CHEMBL2153752,CHEMBL2153753,CHEMBL2153754,CHEMBL2153755,CHEMBL2153756,CHEMBL215803,CHEMBL221959,CHEMBL223360,CHEMBL230006,CHEMBL230011,CHEMBL2309006,CHEMBL2309609,CHEMBL2310935,CHEMBL23254,CHEMBL2326002,CHEMBL23327,CHEMBL2333365,CHEMBL24828,CHEMBL249697,CHEMBL255863,CHEMBL259084,CHEMBL259922,CHEMBL261387,CHEMBL261849,CHEMBL262980,CHEMBL263910,CHEMBL265559,CHEMBL265998,CHEMBL271403,CHEMBL27266,CHEMBL27768,CHEMBL278041,CHEMBL28205,CHEMBL288441,CHEMBL291975,CHEMBL292495,CHEMBL293500,CHEMBL293805,CHEMBL294303,CHEMBL295806,CHEMBL296468,CHEMBL296682,CHEMBL300138,CHEMBL300422,CHEMBL300549,CHEMBL300936,CHEMBL301860,CHEMBL302304,CHEMBL302998,CHEMBL303205,CHEMBL304175,CHEMBL304549,CHEMBL304626,CHEMBL305667,CHEMBL305718,CHEMBL306170,CHEMBL306373,CHEMBL306427,CHEMBL306580,CHEMBL306623,CHEMBL306883,CHEMBL306884,CHEMBL307543,CHEMBL307708,CHEMBL307747,CHEMBL308263,CHEMBL309034,CHEMBL309078,CHEMBL311399,CHEMBL311543,CHEMBL312067,CHEMBL315357,CHEMBL315389,CHEMBL316239,CHEMBL318971,CHEMBL31965,CHEMBL328229,CHEMBL343362,CHEMBL345767,CHEMBL358264,CHEMBL367127,CHEMBL367162,CHEMBL367488,CHEMBL377300,CHEMBL377734,CHEMBL378627,CHEMBL379218,CHEMBL384304,CHEMBL386051,CHEMBL399981,CHEMBL401369,CHEMBL402818,CHEMBL417051,CHEMBL419866,CHEMBL421790,CHEMBL421866,CHEMBL422056,CHEMBL427118,CHEMBL428690,CHEMBL431568,CHEMBL431955,CHEMBL432130,CHEMBL432168,CHEMBL433101,CHEMBL439996,CHEMBL440084,CHEMBL441802,CHEMBL441897,CHEMBL444877,CHEMBL445813,CHEMBL45053,CHEMBL450786,CHEMBL46053,CHEMBL46252,CHEMBL464552,CHEMBL467069,CHEMBL467321,CHEMBL475251,CHEMBL477772,CHEMBL477817,CHEMBL483321,CHEMBL48546,CHEMBL48636,CHEMBL48665,CHEMBL48988,CHEMBL491473,CHEMBL492251,CHEMBL49354,CHEMBL494089,CHEMBL509032,CHEMBL513909,CHEMBL521851,CHEMBL522892,CHEMBL525191,CHEMBL52529,CHEMBL52654,CHEMBL535,CHEMBL53596,CHEMBL54382,CHEMBL553,CHEMBL55394,CHEMBL554,CHEMBL55788,CHEMBL558752,CHEMBL565612,CHEMBL565632,CHEMBL566424,CHEMBL566853,CHEMBL567124,CHEMBL568580,CHEMBL570865,CHEMBL571581,CHEMBL572878,CHEMBL572881,CHEMBL573339,CHEMBL574738,CHEMBL576982,CHEMBL584483,CHEMBL584817,CHEMBL585281,CHEMBL585500,CHEMBL590109,CHEMBL593619,CHEMBL593883,CHEMBL595048,CHEMBL59677,CHEMBL59687,CHEMBL59828,CHEMBL601719,CHEMBL60254,CHEMBL603418,CHEMBL60455,CHEMBL606245,CHEMBL607707,CHEMBL608154,CHEMBL63262,CHEMBL66452,CHEMBL66750,CHEMBL66923,CHEMBL67290,CHEMBL67442,CHEMBL67528,CHEMBL67716,CHEMBL67788,CHEMBL68418,CHEMBL70078,CHEMBL71331,CHEMBL72480,CHEMBL7463,CHEMBL75004,CHEMBL75661,CHEMBL76537,CHEMBL76920,CHEMBL77399,CHEMBL77970,CHEMBL78129,CHEMBL80525,CHEMBL91829,CHEMBL91959,CHEMBL939,CHEMBL941}
@attribute SpDiam_EA.ri. numeric
@attribute SM08_EA.ri. numeric
@attribute SM12_EA.ri. numeric
@attribute SM13_EA.ri. numeric
@attribute SM14_EA.ri. numeric
@attribute Eig01_EA.ri. numeric
@attribute SpMax_EA.ri. numeric
@attribute SM10_EA.ri. numeric
@attribute SM11_EA.ri. numeric
@attribute SM15_EA.ri. numeric
@attribute SM09_EA.ri. numeric
@attribute SM07_EA.ri. numeric
@attribute SM06_EA.ri. numeric
@attribute SM05_EA.ri. numeric
@attribute GGI5 numeric
@attribute Eig02_EA.ri. numeric
@attribute SM04_EA.ri. numeric
@attribute Eig03_EA.ed. numeric
@attribute SM12_AEA.dm. numeric
@attribute MWC10 numeric
@attribute TWC numeric
@attribute BIC0 numeric
@attribute NdssC numeric
@attribute Eig01_AEA.ri. numeric
@attribute SpMax_AEA.ri. numeric
@attribute MWC09 numeric
@attribute Eig03_AEA.ed. numeric
@attribute CATS2D_07_AL numeric
@attribute Eig03_EA.ri. numeric
@attribute SM04_EA.ed. numeric
@attribute SIC0 numeric
@attribute SpDiam_AEA.ri. numeric
@attribute MWC08 numeric
@attribute AAC numeric
@attribute IC0 numeric
@attribute SM03_EA.ri. numeric
@attribute Eig02_AEA.ri. numeric
@attribute SpDiam_EA.ed. numeric
@attribute X. numeric
@attribute MATS5s numeric
@attribute SdO numeric
@attribute Eig02_AEA.ed. numeric
@attribute SM05_AEA.ed. numeric
@attribute SM02_EA.ed. numeric
@attribute CATS2D_02_LL numeric
@attribute MWC06 numeric
@attribute Eig01_EA.ed. numeric
@attribute SM10_AEA.dm. numeric
@attribute SpMax_EA.ed. numeric
@attribute Eig03_AEA.ri. numeric
@attribute SM06_AEA.ed. numeric
@attribute Eig02_EA.ed. numeric
@attribute SM11_AEA.dm. numeric
@attribute SM07_AEA.ed. numeric
@attribute SM03_AEA.ed. numeric
@attribute SM15_AEA.ed. numeric
@attribute SpMin2_Bh.s. numeric
@attribute nX numeric
@attribute ATS6s numeric
@attribute SM06_EA numeric
@attribute SM04_AEA.ed. numeric
@attribute SRW10 numeric
@attribute SM06_EA.ed. numeric
@attribute nDB numeric
@attribute SM07_EA.ed. numeric
@attribute SM08_EA.ed. numeric
@attribute pXC50 numeric

@data
{1 5.103,2 9.652,3 13.876,4 14.942,5 16.059,6 3.103,7 3.103,8 11.733,9 12.749,10 17.151,11 10.569,12 8.392,13 7.672,14 6.185,15 1.202,16 2.706,17 5.859,18 8.043,19 8.043,20 12.053,21 12.577,22 0.287,24 4.172,25 4.172,26 11.154,27 5.879,28 3,29 2.526,30 10.63,31 0.31,32 5.207,33 10.26,34 1.682,35 1.682,36 3.829,37 3.769,38 18.235,39 2.3,40 -0.04,41 11.6,42 6.1,43 10.75,44 6.624,45 9,46 8.477,47 11.08,48 11.08,49 11.08,50 3.558,51 12.509,52 8.88,53 8.88,54 14.294,55 7.372,56 29.017,57 1.117,58 1,59 5.602,60 7.917,61 9.031,62 10.193,63 15.002,64 1,65 17.109,66 19.567,67 5}
{0 CHEMBL101253,1 5.096,2 9.512,3 13.748,4 14.816,5 15.942,6 3.096,7 3.096,8 11.595,9 12.606,10 17.039,11 10.407,12 8.209,13 7.545,14 5.979,15 0.542,16 2.567,17 5.76,18 7.166,19 7.166,20 11.846,21 12.382,22 0.259,24 4.135,25 4.135,26 10.964,27 5.423,28 3,29 2.46,30 10.395,31 0.281,32 5.178,33 10.087,34 1.496,35 1.496,36 3.613,37 3.622,38 18.155,39 2.5,40 0.049,42 5.8,43 10.528,44 6.46,45 14,46 8.336,47 10.902,48 10.902,49 10.902,50 3.508,51 12.262,52 8.069,53 8.069,54 14.028,55 7.212,56 28.724,57 1.07,58 1,59 5.456,60 7.713,61 8.838,62 10.108,63 14.736,65 16.832,66 19.301,67 5}
{0 CHEMBL102858,1 5.084,2 9.562,3 13.795,4 14.866,5 15.978,6 3.084,7 3.084,8 11.648,9 12.674,10 17.071,11 10.495,12 8.322,13 7.588,14 6.128,15 1.181,16 2.745,17 5.803,18 7.276,19 7.276,20 11.83,21 12.364,22 0.203,23 1,24 4.172,25 4.172,26 10.941,27 5.482,28 4,29 2.349,30 10.534,31 0.206,32 5.262,33 10.07,34 1.265,35 1.265,36 3.801,37 3.762,38 18.662,40 -0.028,41 12.646,42 6.211,43 10.631,44 6.497,45 17,46 8.326,47 11.21,48 11.21,49 11.21,50 3.416,51 12.398,52 9.102,53 9.102,54 14.196,55 7.256,56 29.106,57 1.346,59 6.074,60 7.771,61 8.91,62 10.024,63 14.969,64 1,65 17.104,66 19.599,67 5.799}
{0 CHEMBL102991,1 5.084,2 9.481,3 13.734,4 14.809,5 15.926,6 3.084,7 3.084,8 11.576,9 12.606,10 17.023,11 10.412,12 8.221,13 7.506,14 6.004,15 1.201,16 2.691,17 5.738,18 7.334,19 7.334,20 11.802,21 12.337,22 0.203,23 1,24 4.181,25 4.181,26 10.915,27 5.51,28 4,29 2.277,30 10.521,31 0.206,32 5.271,33 10.043,34 1.265,35 1.265,36 3.657,37 3.705,38 18.95,40 0.004,41 12.883,42 6.188,43 10.574,44 6.447,45 14,46 8.299,47 11.503,48 11.503,49 11.503,50 3.399,51 12.348,52 8.985,53 8.985,54 14.159,55 7.203,56 29.176,57 1.349,59 6.216,60 7.718,61 8.85,62 9.979,63 15.032,64 1,65 17.228,66 19.739,67 5.199}
{0 CHEMBL103091,1 5.128,2 9.657,3 13.979,4 15.071,5 16.197,6 3.128,7 3.128,8 11.789,9 12.844,10 17.308,11 10.625,12 8.409,13 7.635,14 6.171,15 1.208,16 2.825,17 5.815,18 7.324,19 7.324,20 11.879,21 12.409,22 0.203,23 1,24 4.203,25 4.203,26 10.985,27 5.588,28 4,29 2.26,30 10.625,31 0.206,32 5.293,33 10.107,34 1.265,35 1.265,36 3.801,37 3.849,38 18.981,40 -0.029,41 12.646,42 6.423,43 10.679,44 6.521,45 17,46 8.35,47 11.405,48 11.405,49 11.405,50 3.382,51 12.464,52 9.772,53 9.772,54 14.281,55 7.273,56 29.293,57 1.358,59 6.155,60 7.811,61 8.941,62 10.056,63 15.127,64 1,65 17.299,66 19.806,67 5.372}
{0 CHEMBL103667,1 5.316,2 10.378,3 14.884,4 16.029,5 17.197,6 3.316,7 3.316,8 12.603,9 13.716,10 18.358,11 11.419,12 9.137,13 8.256,14 6.845,15 1.507,16 3.09,17 6.326,18 10.131,19 10.131,20 12.383,21 12.911,22 0.226,23 1,24 4.35,25 4.35,26 11.488,27 6.493,28 13,29 2.833,30 11.162,31 0.236,32 5.453,33 10.604,34 1.476,35 1.476,36 4.43,37 4.127,38 19.07,40 0.065,41 13.244,42 6.702,43 11.212,44 7.029,45 18,46 8.832,47 11.836,48 11.836,49 11.836,50 3.921,51 13.012,52 10.879,53 10.879,54 14.844,55 7.772,56 30.018,57 1.249,59 6.186,60 8.428,61 9.458,62 10.581,63 15.702,64 1,65 17.936,66 20.428,67 4.523}
{0 CHEMBL105442,1 5.063,2 9.54,3 13.726,4 14.782,5 15.882,6 3.063,7 3.063,8 11.606,9 12.619,10 16.961,11 10.471,12 8.328,13 7.563,14 6.162,15 0.976,16 2.636,17 5.74,18 7.781,19 7.781,20 11.826,21 12.364,22 0.355,23 1,24 4.133,25 4.133,26 10.947,27 5.862,28 4,29 2.547,30 10.527,31 0.375,32 5.183,33 10.075,34 1.983,35 1.983,36 3.865,37 3.738,38 18.175,39 10.3,40 -0.058,41 12.261,42 6.052,43 10.69,44 6.526,45 5,46 8.329,47 10.87,48 10.87,49 10.87,50 3.652,51 12.45,52 8.685,53 8.685,54 14.234,55 7.292,56 28.938,57 1.031,58 4,59 6.046,60 7.855,61 8.964,62 10.105,63 14.869,64 1,65 16.941,66 19.4,67 5}
{0 CHEMBL1080994,1 5.217,2 10.325,3 14.753,4 15.872,5 17.014,6 3.217,7 3.217,8 12.516,9 13.605,10 18.147,11 11.347,12 9.09,13 8.225,14 6.807,15 1.379,16 3.097,17 6.301,18 10.126,19 10.126,20 12.405,21 12.932,22 0.251,24 4.437,25 4.437,26 11.511,27 6.492,28 13,29 2.942,30 11.352,31 0.268,32 5.504,33 10.621,34 1.611,35 1.611,36 4.372,37 4.134,38 21.617,40 -0.071,41 26.384,42 6.654,43 11.314,44 7.059,45 13,46 8.839,47 13.623,48 13.623,49 13.623,50 3.974,51 13.161,52 10.631,53 10.631,54 15.044,55 7.795,56 30.764,57 1.224,59 6.12,60 8.5,61 9.518,62 10.631,63 16.131,64 3,65 18.534,66 21.142,67 7}
{0 CHEMBL1080995,1 5.217,2 10.389,3 14.832,4 15.954,5 17.099,6 3.217,7 3.217,8 12.588,9 13.682,10 18.234,11 11.418,12 9.157,13 8.279,14 6.872,15 1.601,16 3.116,17 6.346,18 10.412,19 10.412,20 12.466,21 12.99,22 0.247,24 4.437,25 4.437,26 11.567,27 6.599,28 13,29 3.013,30 11.409,31 0.262,32 5.504,33 10.674,34 1.593,35 1.593,36 4.438,37 4.158,38 21.617,40 -0.072,41 26.492,42 6.708,43 11.37,44 7.107,45 14,46 8.884,47 13.623,48 13.623,49 13.623,50 4.042,51 13.217,52 10.855,53 10.855,54 15.101,55 7.843,56 30.8,57 1.228,59 6.19,60 8.548,61 9.57,62 10.681,63 16.182,64 3,65 18.578,66 21.184,67 6.31}
{0 CHEMBL1084411,1 5.097,2 9.921,3 14.146,4 15.213,5 16.322,6 3.097,7 3.097,8 12.004,9 13.026,10 17.412,11 10.851,12 8.678,13 7.942,14 6.474,15 0.906,16 2.942,17 6.138,18 8.029,19 8.029,20 12.204,21 12.741,22 0.218,24 4.134,25 4.134,26 11.324,27 5.692,28 9,29 2.631,30 10.803,31 0.231,32 5.202,33 10.449,34 1.388,35 1.388,36 4.107,37 3.975,38 17.872,40 0.044,42 6.492,43 10.951,44 6.851,45 8,46 8.7,47 10.631,48 10.631,49 10.631,50 3.715,51 12.694,52 10.126,53 10.126,54 14.464,55 7.603,56 29.104,57 1.224,59 5.966,60 8.122,61 9.248,62 10.45,63 15.11,64 1,65 17.169,66 19.61,67 6.921}
{0 CHEMBL1090360,1 5.144,2 10.01,3 14.193,4 15.253,5 16.367,6 3.144,7 3.144,8 12.065,9 13.069,10 17.458,11 10.905,12 8.749,13 8.067,14 6.564,15 1.074,16 2.759,17 6.299,18 8.634,19 8.634,20 12.56,21 13.081,22 0.243,23 1,24 4.267,25 4.267,26 11.655,27 6.027,28 8,29 2.695,30 11.09,31 0.259,32 5.412,33 10.761,34 1.601,35 1.601,36 4.225,37 3.853,38 19.437,40 -0.028,41 12.755,42 6.17,43 11.168,44 7.086,45 15,46 8.975,47 12.063,48 12.063,49 12.063,50 3.735,51 12.917,52 9.189,53 9.189,54 14.698,55 7.822,56 29.561,57 1.17,59 6.263,60 8.358,61 9.463,62 10.675,63 15.521,64 1,65 17.695,66 20.213,67 6}
{0 CHEMBL1173655,1 5.041,2 9.594,3 13.682,4 14.717,5 15.809,6 3.041,7 3.041,8 11.602,9 12.582,10 16.874,11 10.468,12 8.37,13 7.696,14 6.257,15 1.007,16 2.637,17 5.967,18 8.314,19 8.314,20 12.128,21 12.661,22 0.287,23 1,24 4.113,25 4.113,26 11.24,27 5.948,28 6,29 2.529,30 10.659,31 0.301,32 5.231,33 10.363,34 1.772,35 1.772,36 4.009,37 3.774,38 17.503,39 3.4,40 0.02,41 12.571,42 6.107,43 10.847,44 6.765,45 3,46 8.612,47 10.562,48 10.562,49 10.562,50 3.655,51 12.572,52 8.973,53 8.973,54 14.323,55 7.526,56 28.794,57 1.154,58 2,59 6.103,60 8.019,61 9.158,62 10.342,63 14.895,64 2,65 16.899,66 19.33,67 5}
{0 CHEMBL119385,1 5.195,2 9.752,3 14.121,4 15.232,5 16.38,6 3.195,7 3.195,8 11.902,9 12.968,10 17.513,11 10.723,12 8.495,13 7.719,14 6.261,15 0.826,16 2.633,17 5.884,18 8.827,19 8.827,20 12.202,21 12.72,22 0.356,23 4,24 4.27,25 4.27,26 11.295,27 6.088,28 3,29 2.561,30 10.894,31 0.388,32 5.404,33 10.395,34 2.02,35 2.02,36 3.93,37 3.817,38 19.503,39 10.8,40 0.068,41 12.431,42 6.252,43 10.934,44 6.765,45 11,46 8.594,47 12.073,48 12.073,49 12.073,50 3.716,51 12.719,52 9.257,53 9.257,54 14.532,55 7.499,56 29.57,57 1.038,58 4,59 5.776,60 8.072,61 9.187,62 10.401,63 15.422,64 5,65 17.636,66 20.173,67 5}
{0 CHEMBL1214929,1 5.008,2 9.32,3 13.566,4 14.633,5 15.742,6 3.046,7 3.046,8 11.418,9 12.442,10 16.828,11 10.251,12 8.046,13 7.32,14 5.79,15 0.625,16 2.658,17 5.502,18 6.336,19 6.336,20 11.62,21 12.152,22 0.263,24 4.093,25 4.093,26 10.733,27 5.227,28 1,29 2.018,30 10.196,31 0.282,32 5.14,33 9.85,34 1.449,35 1.449,36 3.376,37 3.678,38 17.404,40 0.09,42 6.073,43 10.292,44 6.201,45 4,46 8.087,47 10.457,48 10.457,49 10.457,50 3.082,51 12.047,52 8.791,53 8.791,54 13.831,55 6.944,56 28.526,57 1.018,59 5.236,60 7.468,61 8.583,62 9.861,63 14.551,65 16.629,66 19.069,67 8.301}
{0 CHEMBL1214932,1 5.045,2 9.466,3 13.726,4 14.8,5 15.916,6 3.083,7 3.083,8 11.567,9 12.596,10 17.012,11 10.397,12 8.189,13 7.466,14 5.932,15 0.729,16 2.676,17 5.648,18 7.783,19 7.783,20 11.861,21 12.386,22 0.252,24 4.15,25 4.15,26 10.964,27 5.758,28 1,29 2.35,30 10.436,31 0.269,32 5.217,33 10.069,34 1.424,35 1.424,36 3.516,37 3.708,38 18.205,40 0.049,42 6.099,43 10.497,44 6.392,45 4,46 8.284,47 11.001,48 11.001,49 11.001,50 3.437,51 12.263,52 8.901,53 8.901,54 14.061,55 7.127,56 28.882,57 1.161,59 5.386,60 7.671,61 8.777,62 10.063,63 14.858,65 16.982,66 19.455,67 8.222}
{0 CHEMBL1230020,1 5.247,2 10.119,3 14.591,4 15.721,5 16.87,6 3.247,7 3.247,8 12.335,9 13.44,10 18.012,11 11.169,12 8.901,13 7.981,14 6.609,15 1.08,16 2.988,17 6.005,18 10.176,19 10.176,20 12.168,21 12.683,22 0.362,23 1,24 4.283,25 4.283,26 11.253,27 6.525,28 3,29 2.821,30 11.06,31 0.389,32 5.326,33 10.356,34 2.082,35 2.082,36 4.188,37 4.139,38 19.344,39 7.3,40 -0.038,41 36.519,42 6.747,43 11.04,44 6.792,45 4,46 8.548,47 11.67,48 11.67,49 11.67,50 3.929,51 12.864,52 11.053,53 11.053,54 14.712,55 7.52,56 29.842,57 1.104,58 3,59 6.047,60 8.243,61 9.251,62 10.324,63 15.659,64 3,65 17.899,66 20.4,67 5}
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{0 CHEMBL1336,1 4.944,2 9.597,3 13.611,4 14.614,5 15.673,6 2.944,7 2.944,8 11.579,9 12.536,10 16.701,11 10.466,12 8.396,13 7.698,14 6.297,15 0.979,16 2.785,17 5.94,18 7.822,19 7.822,20 11.94,21 12.488,22 0.331,23 2,24 4.244,25 4.244,26 11.071,27 5.644,28 5,29 2.609,30 10.845,31 0.352,32 5.319,33 10.224,34 1.965,35 1.965,36 4.067,37 3.837,38 19.593,39 8.3,40 -0.075,41 23.764,42 6.062,43 10.948,44 6.765,45 7,46 8.511,47 12.181,48 12.181,49 12.181,50 3.683,51 12.737,52 8.764,53 8.764,54 14.559,55 7.526,56 29.823,57 1.065,58 4,59 5.894,60 8.176,61 9.204,62 10.285,63 15.376,64 2,65 17.645,66 20.162,67 5}
{0 CHEMBL1421,1 4.855,2 9.429,3 13.339,4 14.314,5 15.348,6 2.855,7 2.855,8 11.36,9 12.288,10 16.347,11 10.265,12 8.236,13 7.584,14 6.171,15 1.181,16 2.742,17 5.89,18 8.741,19 8.741,20 12.069,21 12.611,22 0.289,23 1,24 3.97,25 3.97,26 11.193,27 6.053,28 6,29 2.583,30 10.652,31 0.303,32 5.109,33 10.33,34 1.781,35 1.781,36 3.955,37 3.89,38 16.37,39 1.7,40 0.05,41 12.693,42 6.209,43 10.857,44 6.765,45 4,46 8.595,47 9.81,48 9.81,49 9.81,50 3.729,51 12.583,52 9.352,53 9.352,54 14.333,55 7.525,56 28.713,57 1.136,58 1,59 5.979,60 8.028,61 9.164,62 10.323,63 14.832,64 1,65 16.784,66 19.165,67 5}
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{0 CHEMBL151800,1 5.278,2 10.135,3 14.583,4 15.713,5 16.874,6 3.278,7 3.278,8 12.328,9 13.42,10 18.025,11 11.147,12 8.889,13 8.049,14 6.621,15 1.396,16 2.925,17 6.147,18 8.433,19 8.433,20 12.129,21 12.661,22 0.244,23 3,24 4.281,25 4.281,26 11.239,27 5.998,28 6,29 2.597,30 10.902,31 0.259,32 5.328,33 10.361,34 1.483,35 1.483,36 4.233,37 3.962,38 19.32,40 0.124,41 36.473,42 6.503,43 10.984,44 6.806,45 15,46 8.601,47 11.775,48 11.775,49 11.775,50 3.621,51 12.766,52 10.016,53 10.016,54 14.577,55 7.559,56 29.576,57 1.142,59 6.284,60 8.113,61 9.241,62 10.38,63 15.395,64 3,65 17.576,66 20.095,67 7.301}
{0 CHEMBL151822,1 5.278,2 10.46,3 14.897,4 16.022,5 17.174,6 3.278,7 3.278,8 12.652,9 13.742,10 18.316,11 11.479,12 9.226,13 8.364,14 6.961,15 2.028,16 3.088,17 6.444,18 10.016,19 10.016,20 12.448,21 12.978,22 0.256,23 3,24 4.309,25 4.309,26 11.554,27 6.503,28 14,29 2.925,30 11.374,31 0.272,32 5.386,33 10.677,34 1.656,35 1.656,36 4.576,37 4.281,38 20.052,40 0.005,41 63.366,42 6.99,43 11.382,44 7.151,45 18,46 8.911,47 12.507,48 12.507,49 12.507,50 3.962,51 13.203,52 11.775,53 11.775,54 15.056,55 7.895,56 30.415,57 1.143,59 6.618,60 8.562,61 9.605,62 10.696,63 16.02,64 5,65 18.321,66 20.864,67 7.699}
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{0 CHEMBL1614701,1 5.175,2 9.717,3 14.078,4 15.185,5 16.322,6 3.175,7 3.175,8 11.869,9 12.937,10 17.448,11 10.705,12 8.483,13 7.669,14 6.241,15 1.285,16 2.692,17 5.807,18 8.648,19 8.648,20 12.111,21 12.626,22 0.356,23 1,24 4.258,25 4.258,26 11.199,27 6.047,28 8,29 2.558,30 10.784,31 0.378,32 5.307,33 10.293,34 2.039,35 2.039,36 3.868,37 3.807,38 19.207,39 7.1,40 0.007,41 12.504,42 6.343,43 10.848,44 6.663,45 4,46 8.487,47 11.539,48 11.539,49 11.539,50 3.688,51 12.636,52 9.524,53 9.524,54 14.45,55 7.404,56 29.388,57 1.049,58 3,59 6.169,60 7.986,61 9.097,62 10.241,63 15.259,64 1,65 17.407,66 19.918,67 5}
{0 CHEMBL162,1 5.602,2 10.988,3 15.834,4 17.065,5 18.311,6 3.602,7 3.602,8 13.386,9 14.592,10 19.555,11 12.139,12 9.702,13 8.689,14 7.255,15 2.588,16 3.307,17 6.587,18 11.874,19 11.874,20 13.381,21 13.834,22 0.238,23 1,24 4.73,25 4.73,26 12.369,27 6.984,28 8,29 3.072,30 12.085,31 0.255,32 5.862,33 11.364,34 1.512,35 1.512,36 4.675,37 4.418,38 24.331,40 -0.007,41 13.322,42 7.443,43 11.786,44 7.461,45 14,46 9.353,47 15.502,48 15.502,49 15.502,50 4.144,51 13.695,52 13.599,53 13.599,54 15.635,55 8.118,56 31.674,57 1.349,59 6.518,60 8.937,61 9.919,62 11.098,63 17.129,64 1,65 19.656,66 22.381,67 8.31}
{0 CHEMBL1721885,1 5.22,2 10.122,3 14.595,4 15.728,5 16.883,6 3.22,7 3.22,8 12.332,9 13.436,10 18.029,11 11.155,12 8.884,13 8.018,14 6.605,15 1.022,16 3.113,17 6.115,18 7.539,19 7.539,20 12.245,21 12.767,22 0.272,23 3,24 4.246,25 4.246,26 11.342,27 5.706,28 3,29 2.437,30 10.91,31 0.284,32 5.349,33 10.449,34 1.672,35 1.672,36 4.213,37 4.136,38 18.421,39 1.7,40 -0.032,41 25.206,42 6.721,43 10.992,44 6.838,45 7,46 8.663,47 11.258,48 11.258,49 11.258,50 3.555,51 12.766,52 10.906,53 10.906,54 14.568,55 7.581,56 29.505,57 1.114,58 1,59 6.228,60 8.156,61 9.258,62 10.363,63 15.374,64 3,65 17.545,66 20.041,67 5}
{0 CHEMBL177308,1 5.279,2 10.538,3 14.993,4 16.12,5 17.274,6 3.279,7 3.279,8 12.74,9 13.835,10 18.417,11 11.562,12 9.294,13 8.43,14 7.004,15 2.257,16 3.143,17 6.497,18 10.017,19 10.017,20 12.608,21 13.125,22 0.242,23 4,24 4.282,25 4.282,26 11.699,27 6.503,28 11,29 2.923,30 11.325,31 0.257,32 5.365,33 10.799,34 1.548,35 1.548,36 4.581,37 4.191,38 19.322,40 0.067,41 50.75,42 6.765,43 11.371,44 7.18,45 20,46 8.995,47 11.775,48 11.775,49 11.775,50 3.958,51 13.165,52 11.14,53 11.14,54 14.984,55 7.915,56 29.977,57 1.153,59 6.617,60 8.507,61 9.615,62 10.753,63 15.829,64 4,65 18.009,66 20.518,67 8}
{0 CHEMBL177635,1 5.278,2 10.328,3 14.735,4 15.854,5 17.002,6 3.278,7 3.278,8 12.503,9 13.587,10 18.142,11 11.338,12 9.102,13 8.248,14 6.845,15 1.903,16 2.933,17 6.339,18 9.415,19 9.415,20 12.382,21 12.909,22 0.264,23 4,24 4.281,25 4.281,26 11.487,27 6.253,28 8,29 2.866,30 11.131,31 0.279,32 5.372,33 10.601,34 1.648,35 1.648,36 4.45,37 3.983,38 19.322,40 0.033,41 49.712,42 6.504,43 11.213,44 7.027,45 12,46 8.825,47 11.775,48 11.775,49 11.775,50 3.905,51 12.998,52 10.027,53 10.027,54 14.808,55 7.773,56 29.734,57 1.14,59 6.514,60 8.344,61 9.465,62 10.582,63 15.591,64 4,65 17.743,66 20.242,67 8.398}
{0 CHEMBL1789941,1 5.04,2 9.663,3 13.954,4 15.034,5 16.143,6 3.079,7 3.079,8 11.787,9 12.836,10 17.238,11 10.64,12 8.432,13 7.624,14 6.168,15 0.647,16 2.904,17 5.76,18 7.9,19 7.9,20 11.959,21 12.483,22 0.253,24 4.141,25 4.141,26 11.061,27 5.787,28 2,29 2.452,30 10.603,31 0.271,32 5.219,33 10.164,34 1.454,35 1.454,36 3.677,37 3.961,38 18.123,40 0.006,42 6.498,43 10.642,44 6.503,45 7,46 8.373,47 10.904,48 10.904,49 10.904,50 3.498,51 12.425,52 10.176,53 10.176,54 14.236,55 7.231,56 29.114,57 1.211,59 5.585,60 7.808,61 8.903,62 10.043,63 15.058,65 17.205,66 19.668,67 5}
{0 CHEMBL1794808,1 5.278,2 10.368,3 14.773,4 15.891,5 17.038,6 3.278,7 3.278,8 12.543,9 13.626,10 18.175,11 11.379,12 9.142,13 8.288,14 6.887,15 2.063,16 2.943,17 6.379,18 9.618,19 9.618,20 12.431,21 12.956,22 0.253,23 4,24 4.281,25 4.281,26 11.532,27 6.299,28 8,29 2.89,30 11.166,31 0.267,32 5.365,33 10.645,34 1.592,35 1.592,36 4.504,37 4.005,38 19.322,40 -0.007,41 49.845,42 6.504,43 11.25,44 7.067,45 13,46 8.864,47 11.775,48 11.775,49 11.775,50 3.932,51 13.032,52 10.032,53 10.032,54 14.839,55 7.812,56 29.752,57 1.148,59 6.651,60 8.384,61 9.503,62 10.617,63 15.62,64 4,65 17.768,66 20.268,67 8.523}
{0 CHEMBL180022,1 5.129,2 9.836,3 14.022,4 15.087,5 16.203,6 3.129,7 3.129,8 11.891,9 12.899,10 17.297,11 10.735,12 8.59,13 7.899,14 6.432,15 1.528,16 2.703,17 6.14,18 8.761,19 8.761,20 12.276,21 12.807,22 0.254,23 1,24 4.181,25 4.181,26 11.386,27 6.069,28 8,29 2.599,30 10.836,31 0.268,32 5.248,33 10.505,34 1.64,35 1.64,36 4.141,37 3.816,38 18.277,39 1.4,40 -0.013,41 12.613,42 6.168,43 10.989,44 6.897,45 5,46 8.749,47 11.049,48 11.049,49 11.049,50 3.727,51 12.725,52 9.17,53 9.17,54 14.489,55 7.654,56 29.103,57 1.067,58 1,59 6.295,60 8.154,61 9.291,62 10.495,63 15.143,64 2,65 17.206,66 19.662,67 5}
{0 CHEMBL1800956,1 6.045,2 12.027,3 17.294,4 18.635,5 19.985,6 4.045,7 4.045,8 14.635,9 15.955,10 21.339,11 13.306,12 10.691,13 9.511,14 8.099,15 3.903,16 3.692,17 7.189,18 13.815,19 13.815,20 13.433,21 13.906,22 0.194,23 6,24 5.043,25 5.043,26 12.452,27 7.637,28 7,29 3.53,30 12.694,31 0.199,32 6.129,33 11.487,34 1.366,35 1.366,36 5.422,37 4.698,38 28.011,40 -0.02,41 53.927,42 8.091,43 12.327,44 7.849,45 57,46 9.554,47 17.916,48 17.916,49 17.916,50 4.53,51 14.31,52 15.374,53 15.374,54 16.327,55 8.536,56 33.021,57 1.585,59 7.099,60 9.531,61 10.393,62 11.473,63 18.017,64 6,65 20.712,66 23.543,67 6.194}
{0 CHEMBL1807163,1 5.726,2 11.139,3 16.13,4 17.398,5 18.677,6 3.726,7 3.726,8 13.611,9 14.859,10 19.958,11 12.345,12 9.855,13 8.752,14 7.37,15 3.102,16 3.288,17 6.545,18 11.761,19 11.761,20 12.832,21 13.312,22 0.215,23 2,24 4.733,25 4.733,26 11.864,27 6.978,28 5,29 3.144,30 11.878,31 0.222,32 5.789,33 10.906,34 1.357,35 1.357,36 4.775,37 4.299,38 23.676,40 -0.069,41 25.759,42 7.482,43 11.631,44 7.239,45 26,46 8.988,47 15.059,48 15.059,49 15.059,50 4.193,51 13.555,52 13.119,53 13.119,54 15.507,55 7.933,56 31.586,57 1.273,59 6.482,60 8.805,61 9.75,62 10.804,63 16.921,64 3,65 19.448,66 22.138,67 6.444}
{0 CHEMBL1908391,1 4.887,2 9.714,3 13.686,4 14.672,5 15.723,6 2.887,7 2.887,8 11.676,9 12.614,10 16.734,11 10.556,12 8.486,13 7.834,14 6.372,15 0.934,16 2.802,17 6.097,18 8.625,19 8.625,20 12.098,21 12.647,22 0.242,23 1,24 3.932,25 3.932,26 11.235,27 6.032,28 3,29 2.757,30 10.608,31 0.255,32 5.046,33 10.378,34 1.54,35 1.54,36 4.092,37 3.861,38 15.614,40 0.016,41 12.903,42 6.114,43 10.863,44 6.812,45 11,46 8.661,47 9.294,48 9.294,49 9.294,50 3.785,51 12.565,52 8.965,53 8.965,54 14.29,55 7.58,56 28.447,57 1.16,59 5.876,60 8.054,61 9.195,62 10.379,63 14.684,64 1,65 16.567,66 18.907,67 5}
{0 CHEMBL1908392,1 5.219,2 10.036,3 14.374,4 15.477,5 16.619,6 3.219,7 3.219,8 12.171,9 13.226,10 17.747,11 10.995,12 8.776,13 8.017,14 6.54,15 1.427,16 2.832,17 6.185,18 8.965,19 8.965,20 12.333,21 12.859,22 0.23,23 2,24 4.271,25 4.271,26 11.437,27 6.132,28 2,29 2.683,30 10.965,31 0.242,32 5.338,33 10.546,34 1.468,35 1.468,36 4.167,37 3.919,38 19.314,40 -0.03,41 12.87,42 6.342,43 11.051,44 6.919,45 14,46 8.768,47 11.89,48 11.89,49 11.89,50 3.722,51 12.817,52 9.444,53 9.444,54 14.613,55 7.663,56 29.533,57 1.181,59 6.214,60 8.215,61 9.326,62 10.493,63 15.426,64 2,65 17.605,66 20.119,67 5}
{0 CHEMBL1908393,1 5.692,2 10.84,3 15.807,4 17.08,5 18.367,6 3.692,7 3.692,8 13.286,9 14.527,10 19.655,11 12.008,12 9.534,13 8.54,14 7.094,15 1.626,16 3.025,17 6.505,18 8.963,19 8.963,20 12.617,21 13.139,22 0.251,23 3,24 4.682,25 4.682,26 11.714,27 6.116,28 8,29 2.705,30 11.566,31 0.262,32 5.786,33 10.817,34 1.667,35 1.667,36 4.586,37 4.103,38 22.84,39 2.4,40 -0.009,41 25.921,42 6.59,43 11.464,44 7.223,45 5,46 9.029,47 15.051,48 15.051,49 15.051,50 3.817,51 13.313,52 10.546,53 10.546,54 15.208,55 7.964,56 31.248,57 1.207,58 2,59 6.537,60 8.695,61 9.674,62 10.818,63 16.534,64 4,65 19.092,66 21.793,67 5}
{0 CHEMBL1908394,1 5.083,2 10.061,3 14.298,4 15.368,5 16.471,6 3.083,7 3.083,8 12.154,9 13.188,10 17.559,11 11.019,12 8.855,13 8.06,14 6.67,15 1.379,16 3.001,17 6.224,18 9.953,19 9.953,20 12.506,21 13.024,22 0.281,23 1,24 4.289,25 4.289,26 11.597,27 6.444,28 10,29 2.789,30 11.307,31 0.295,32 5.456,33 10.7,34 1.781,35 1.781,36 4.355,37 4.148,38 20.104,39 4.5,40 0.009,41 12.25,42 6.752,43 11.324,44 7.111,45 10,46 8.9,47 12.394,48 12.394,49 12.394,50 3.923,51 13.138,52 11.077,53 11.077,54 14.981,55 7.843,56 30.247,57 1.203,58 3,59 6.288,60 8.525,61 9.552,62 10.636,63 15.9,64 1,65 18.164,66 20.689,67 5}
{0 CHEMBL1908395,1 5.073,2 9.885,3 14.042,4 15.087,5 16.18,6 3.073,7 3.073,8 11.937,9 12.939,10 17.249,11 10.799,12 8.657,13 7.921,14 6.476,15 1.354,16 2.797,17 6.111,18 8.807,19 8.807,20 12.127,21 12.664,22 0.238,23 3,24 4.093,25 4.093,26 11.247,27 6.076,28 10,29 2.732,30 10.726,31 0.249,32 5.143,33 10.373,34 1.503,35 1.503,36 4.133,37 3.856,38 17.274,40 -0.113,41 25.175,42 6.14,43 10.899,44 6.79,45 18,46 8.625,47 10.408,48 10.408,49 10.408,50 3.799,51 12.64,52 9.02,53 9.02,54 14.406,55 7.548,56 28.914,57 1.393,59 6.14,60 8.063,61 9.195,62 10.341,63 14.982,64 3,65 16.998,66 19.398,67 5}
{0 CHEMBL1908396,1 5.023,2 9.678,3 13.783,4 14.816,5 15.898,6 3.023,7 3.023,8 11.703,9 12.691,10 16.955,11 10.578,12 8.469,13 7.749,14 6.332,15 1.052,16 2.789,17 5.982,18 8.662,19 8.662,20 12.168,21 12.703,22 0.279,23 1,24 4.099,25 4.099,26 11.285,27 6.044,28 6,29 2.571,30 10.786,31 0.295,32 5.196,33 10.408,34 1.725,35 1.725,36 4.04,37 3.886,38 17.464,40 0.021,41 12.46,42 6.197,43 10.933,44 6.817,45 3,46 8.653,47 10.529,48 10.529,49 10.529,50 3.726,51 12.68,52 9.273,53 9.273,54 14.451,55 7.567,56 28.986,57 1.066,59 6.037,60 8.089,61 9.222,62 10.4,63 15.06,64 1,65 17.084,66 19.497,67 5}
{0 CHEMBL1908397,1 5.005,2 9.629,3 13.83,4 14.88,5 15.978,6 3.005,7 3.005,8 11.706,9 12.714,10 17.048,11 10.546,12 8.363,13 7.641,14 6.126,15 0.486,16 2.926,17 5.82,18 7.116,19 7.116,20 11.792,21 12.337,22 0.251,23 1,24 4.045,25 4.045,26 10.924,27 5.42,28 4,29 2.476,30 10.419,31 0.268,32 5.112,33 10.057,34 1.472,35 1.472,36 3.705,37 3.957,38 17.009,40 -0.173,41 12.469,42 6.391,43 10.574,44 6.472,45 14,46 8.326,47 10.265,48 10.265,49 10.265,50 3.499,51 12.322,52 9.667,53 9.667,54 14.099,55 7.229,56 28.751,57 1.163,59 5.33,60 7.755,61 8.869,62 10.057,63 14.73,64 2,65 16.798,66 19.211,67 5}
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{0 CHEMBL1996510,1 5.375,2 10.354,3 14.937,4 16.102,5 17.29,6 3.375,7 3.375,8 12.617,9 13.748,10 18.472,11 11.41,12 9.08,13 8.199,14 6.727,15 1.49,16 3.019,17 6.246,18 9.548,19 9.548,20 12.598,21 13.097,22 0.258,23 4,24 4.391,25 4.391,26 11.663,27 6.323,28 10,29 2.79,30 11.221,31 0.278,32 5.465,33 10.731,34 1.585,35 1.585,36 4.233,37 4.069,38 20.276,40 0.036,41 26.041,42 6.661,43 11.173,44 6.991,45 12,46 8.872,47 12.545,48 12.545,49 12.545,50 3.836,51 12.984,52 10.735,53 10.735,54 14.823,55 7.7,56 30.008,57 1.201,59 6.205,60 8.327,61 9.404,62 10.604,63 15.843,64 3,65 18.103,66 20.66,67 9}
{0 CHEMBL206866,1 5.126,2 9.694,3 14.014,4 15.105,5 16.229,6 3.126,7 3.126,8 11.827,9 12.882,10 17.337,11 10.667,12 8.453,13 7.666,14 6.212,15 1.323,16 2.854,17 5.829,18 7.223,19 7.223,20 11.841,21 12.374,22 0.207,23 1,24 4.193,25 4.193,26 10.952,27 5.557,28 3,29 2.372,30 10.612,31 0.21,32 5.218,33 10.077,34 1.28,35 1.28,36 3.83,37 3.866,38 18.925,40 -0.046,41 12.869,42 6.423,43 10.672,44 6.506,45 16,46 8.325,47 11.368,48 11.368,49 11.368,50 3.437,51 12.458,52 9.771,53 9.771,54 14.276,55 7.259,56 29.281,57 1.343,59 6.189,60 7.8,61 8.931,62 10.027,63 15.11,64 1,65 17.282,66 19.784,67 6.848}
{0 CHEMBL208637,1 4.863,2 8.82,3 12.931,4 13.968,5 15.038,6 2.917,7 2.917,8 10.851,9 11.854,10 16.091,11 9.75,12 7.653,13 6.885,14 5.545,15 0.66,16 2.34,17 5.124,18 5.776,19 5.776,20 11.111,21 11.657,22 0.34,23 1,24 4.003,25 4.003,26 10.235,27 5.062,29 1.855,30 9.843,31 0.359,32 5.05,33 9.392,34 1.727,35 1.727,36 3.334,37 3.389,38 16.946,40 -0.383,41 10.85,42 5.39,43 10.007,44 5.889,45 1,46 7.679,47 10.058,48 10.058,49 10.058,50 2.925,51 11.75,52 7.053,53 7.053,54 13.518,55 6.653,56 28.113,57 0.9,59 5.335,60 7.154,61 8.301,62 9.442,63 14.131,64 1,65 16.166,66 18.595,67 5.081}
{0 CHEMBL210032,1 5.068,2 9.301,3 13.567,4 14.646,5 15.764,6 3.068,7 3.068,8 11.404,9 12.441,10 16.863,11 10.248,12 8.065,13 7.304,14 5.867,15 0.736,16 2.462,17 5.486,18 6.959,19 6.959,20 11.488,21 12.024,22 0.297,23 1,24 4.115,25 4.115,26 10.603,27 5.387,28 3,29 2.306,30 10.174,31 0.321,32 5.159,33 9.734,34 1.589,35 1.589,36 3.559,37 3.494,38 17.915,40 -0.234,41 11.07,42 5.675,43 10.28,44 6.159,45 8,46 7.986,47 10.772,48 10.772,49 10.772,50 3.339,51 12.037,52 7.528,53 7.528,54 13.823,55 6.911,56 28.609,57 0.89,59 5.5,60 7.434,61 8.564,62 9.75,63 14.566,64 1,65 16.677,66 19.152,67 5.081}
{0 CHEMBL210618,1 4.921,2 9.395,3 13.482,4 14.505,5 15.573,6 2.921,7 2.921,8 11.415,9 12.399,10 16.615,11 10.297,12 8.192,13 7.463,14 6.056,15 1.125,16 2.842,17 5.688,18 7.209,19 7.209,20 11.709,21 12.254,22 0.287,23 1,24 4.006,25 4.006,26 10.836,27 5.44,28 3,29 2.374,30 10.379,31 0.301,32 5.062,33 9.982,34 1.665,35 1.665,36 3.776,37 3.897,38 16.947,40 -0.138,41 12.39,42 6.194,43 10.555,44 6.444,45 4,46 8.257,47 10.06,48 10.06,49 10.06,50 3.424,51 12.291,52 9.263,53 9.263,54 14.051,55 7.204,56 28.534,57 0.975,59 5.956,60 7.706,61 8.852,62 10.013,63 14.616,64 1,65 16.616,66 19.021,67 5.081}
{0 CHEMBL210928,1 5.009,2 9.583,3 13.706,4 14.744,5 15.819,6 3.009,7 3.009,8 11.621,9 12.623,10 16.876,11 10.515,12 8.414,13 7.627,14 6.299,15 1.528,16 2.745,17 5.82,18 9.2,19 9.2,20 12.004,21 12.534,22 0.317,23 1,24 4.278,25 4.278,26 11.109,27 6.183,28 4,29 2.656,30 10.957,31 0.331,32 5.336,33 10.239,34 1.88,35 1.88,36 4.07,37 3.933,38 19.808,39 2,40 -0.026,41 36.401,42 6.379,43 10.992,44 6.746,45 2,46 8.476,47 12.298,48 12.298,49 12.298,50 3.797,51 12.813,52 9.634,53 9.634,54 14.661,55 7.491,56 29.97,57 0.983,58 1,59 6.176,60 8.191,61 9.21,62 10.274,63 15.548,64 3,65 17.817,66 20.345,67 5.081}
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{0 CHEMBL2147531,1 5.052,2 9.341,3 13.59,4 14.656,5 15.768,6 3.052,7 3.052,8 11.439,9 12.46,10 16.855,11 10.265,12 8.055,13 7.34,14 5.793,15 0.625,16 2.661,17 5.522,18 6.336,19 6.336,20 11.62,21 12.152,22 0.251,24 4.095,25 4.095,26 10.733,27 5.227,28 2,29 2.037,30 10.196,31 0.269,32 5.14,33 9.85,34 1.392,35 1.392,36 3.376,37 3.679,38 17.404,40 0.047,42 6.073,43 10.292,44 6.201,45 10,46 8.087,47 10.457,48 10.457,49 10.457,50 3.092,51 12.047,52 8.791,53 8.791,54 13.831,55 6.944,56 28.526,57 1.02,59 5.24,60 7.468,61 8.583,62 9.861,63 14.551,65 16.629,66 19.069,67 6.129}
{0 CHEMBL2147532,1 4.99,2 9.279,3 13.496,4 14.554,5 15.657,6 3.026,7 3.026,8 11.362,9 12.376,10 16.736,11 10.198,12 8.004,13 7.292,14 5.757,15 0.625,16 2.653,17 5.488,18 6.336,19 6.336,20 11.62,21 12.152,22 0.263,24 4.087,25 4.087,26 10.733,27 5.227,28 1,29 1.99,30 10.196,31 0.282,32 5.134,33 9.85,34 1.449,35 1.449,36 3.356,37 3.676,38 17.404,40 0.068,42 6.073,43 10.292,44 6.201,45 4,46 8.087,47 10.457,48 10.457,49 10.457,50 3.069,51 12.047,52 8.791,53 8.791,54 13.831,55 6.944,56 28.526,57 1.016,59 5.256,60 7.468,61 8.583,62 9.861,63 14.551,65 16.629,66 19.069,67 6.397}
{0 CHEMBL2147533,1 5.005,2 9.319,3 13.564,4 14.63,5 15.739,6 3.046,7 3.046,8 11.416,9 12.44,10 16.825,11 10.25,12 8.046,13 7.32,14 5.79,15 0.625,16 2.656,17 5.502,18 6.336,19 6.336,20 11.62,21 12.152,22 0.263,24 4.093,25 4.093,26 10.733,27 5.227,28 4,29 2.031,30 10.196,31 0.282,32 5.14,33 9.85,34 1.449,35 1.449,36 3.376,37 3.677,38 17.404,40 0.049,42 6.073,43 10.292,44 6.201,45 5,46 8.087,47 10.457,48 10.457,49 10.457,50 3.088,51 12.047,52 8.791,53 8.791,54 13.831,55 6.944,56 28.526,57 1.018,59 5.24,60 7.468,61 8.583,62 9.861,63 14.551,65 16.629,66 19.069,67 6}
{0 CHEMBL2147534,1 5.091,2 9.421,3 13.726,4 14.808,5 15.932,6 3.091,7 3.091,8 11.547,9 12.587,10 17.034,11 10.368,12 8.136,13 7.393,14 5.854,15 0.625,16 2.675,17 5.548,18 6.336,19 6.336,20 11.62,21 12.152,22 0.251,24 4.108,25 4.108,26 10.733,27 5.227,28 1,29 2.057,30 10.196,31 0.269,32 5.145,33 9.85,34 1.392,35 1.392,36 3.414,37 3.684,38 17.404,40 0.079,42 6.073,43 10.292,44 6.201,45 10,46 8.087,47 10.457,48 10.457,49 10.457,50 3.1,51 12.047,52 8.791,53 8.791,54 13.831,55 6.944,56 28.526,57 1.019,59 5.308,60 7.468,61 8.583,62 9.861,63 14.551,65 16.629,66 19.069,67 7.268}
{0 CHEMBL2147535,1 4.936,2 9.212,3 13.392,4 14.441,5 15.533,6 2.997,7 2.997,8 11.277,9 12.283,10 16.602,11 10.124,12 7.95,13 7.242,14 5.722,15 0.625,16 2.641,17 5.454,18 6.336,19 6.336,20 11.62,21 12.152,22 0.273,24 4.078,25 4.078,26 10.733,27 5.227,28 1,29 1.99,30 10.196,31 0.294,32 5.153,33 9.85,34 1.496,35 1.496,36 3.336,37 3.672,38 17.404,40 0.039,42 6.073,43 10.292,44 6.201,45 1,46 8.087,47 10.457,48 10.457,49 10.457,50 3.069,51 12.047,52 8.791,53 8.791,54 13.831,55 6.944,56 28.526,57 1.004,59 5.209,60 7.468,61 8.583,62 9.861,63 14.551,65 16.629,66 19.069,67 7.569}
{0 CHEMBL2147536,1 4.99,2 9.279,3 13.508,4 14.569,5 15.673,6 3.03,7 3.03,8 11.369,9 12.388,10 16.753,11 10.206,12 8.01,13 7.286,14 5.761,15 0.625,16 2.653,17 5.474,18 6.336,19 6.336,20 11.62,21 12.152,22 0.285,24 4.088,25 4.088,26 10.733,27 5.227,28 1,29 1.956,30 10.196,31 0.307,32 5.141,33 9.85,34 1.561,35 1.561,36 3.358,37 3.676,38 17.404,40 0.06,42 6.073,43 10.292,44 6.201,45 4,46 8.087,47 10.457,48 10.457,49 10.457,50 3.056,51 12.047,52 8.791,53 8.791,54 13.831,55 6.944,56 28.526,57 0.978,59 5.215,60 7.468,61 8.583,62 9.861,63 14.551,65 16.629,66 19.069,67 7.086}
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{0 CHEMBL2147538,1 5.027,2 9.795,3 14.112,4 15.195,5 16.303,6 3.065,7 3.065,8 11.937,9 12.995,10 17.398,11 10.794,12 8.583,13 7.72,14 6.333,15 0.847,16 2.994,17 5.789,18 8.789,19 8.789,20 11.733,21 12.265,22 0.248,24 4.121,25 4.121,26 10.841,27 6.072,28 1,29 2.656,30 10.528,31 0.263,32 5.17,33 9.969,34 1.411,35 1.411,36 3.941,37 4.042,38 17.427,40 0.201,42 6.39,43 10.601,44 6.435,45 5,46 8.213,47 10.472,48 10.472,49 10.472,50 3.676,51 12.383,52 9.941,53 9.941,54 14.188,55 7.179,56 28.933,57 1.148,59 5.414,60 7.873,61 8.858,62 10.003,63 14.941,65 17.084,66 19.481,67 8.046}
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{0 CHEMBL2147548,1 5.03,2 9.834,3 14.142,4 15.224,5 16.331,6 3.067,7 3.067,8 11.971,9 13.026,10 17.425,11 10.831,12 8.629,13 7.766,14 6.395,15 0.847,16 2.996,17 5.843,18 8.902,19 8.902,20 11.801,21 12.332,22 0.251,24 4.123,25 4.123,26 10.907,27 6.098,28 1,29 2.699,30 10.58,31 0.265,32 5.172,33 10.034,34 1.439,35 1.439,36 4.031,37 4.045,38 17.433,40 0.221,42 6.39,43 10.667,44 6.503,45 5,46 8.275,47 10.478,48 10.478,49 10.478,50 3.728,51 12.442,52 9.942,53 9.942,54 14.241,55 7.248,56 28.953,57 1.148,59 5.511,60 7.93,61 8.927,62 10.067,63 14.975,65 17.106,66 19.505,67 7.222}
{0 CHEMBL2147549,1 5.032,2 9.873,3 14.163,4 15.242,5 16.347,6 3.067,7 3.067,8 11.999,9 13.05,10 17.439,11 10.862,12 8.673,13 7.823,14 6.458,15 0.965,16 2.996,17 5.922,18 8.956,19 8.956,20 11.889,21 12.42,22 0.233,24 4.124,25 4.124,26 10.995,27 6.108,28 3,29 2.715,30 10.642,31 0.244,32 5.174,33 10.124,34 1.39,35 1.39,36 4.123,37 4.045,38 17.434,40 0.096,42 6.39,43 10.741,44 6.592,45 6,46 8.369,47 10.479,48 10.479,49 10.479,50 3.754,51 12.508,52 9.942,53 9.942,54 14.299,55 7.339,56 28.975,57 1.152,59 5.685,60 7.999,61 9.01,62 10.144,63 15.015,65 17.134,66 19.53,67 6.064}
{0 CHEMBL2147550,1 5.04,2 9.868,3 14.198,4 15.285,5 16.394,6 3.077,7 3.077,8 12.018,9 13.081,10 17.491,11 10.876,12 8.661,13 7.783,14 6.409,15 0.986,16 3.001,17 5.841,18 9.589,19 9.589,20 11.836,21 12.363,22 0.272,24 4.136,25 4.136,26 10.938,27 6.346,28 1,29 2.76,30 10.651,31 0.289,32 5.185,33 10.06,34 1.549,35 1.549,36 4.019,37 4.055,38 17.547,39 2.4,40 -0.017,42 6.401,43 10.712,44 6.524,45 4,46 8.292,47 10.592,48 10.592,49 10.592,50 3.813,51 12.502,52 9.956,53 9.956,54 14.316,55 7.265,56 29.121,57 1.147,58 1,59 5.579,60 7.962,61 8.957,62 10.092,63 15.091,65 17.241,66 19.654,67 7.745}
{0 CHEMBL2147551,1 5.032,2 9.832,3 14.154,4 15.238,5 16.346,6 3.07,7 3.07,8 11.977,9 13.036,10 17.442,11 10.835,12 8.623,13 7.752,14 6.373,15 0.986,16 2.997,17 5.816,18 9.589,19 9.589,20 11.836,21 12.363,22 0.272,24 4.134,25 4.134,26 10.938,27 6.346,28 2,29 2.712,30 10.651,31 0.289,32 5.183,33 10.06,34 1.549,35 1.549,36 3.986,37 4.053,38 17.547,39 2.4,40 0.077,42 6.401,43 10.712,44 6.524,45 5,46 8.292,47 10.592,48 10.592,49 10.592,50 3.799,51 12.502,52 9.956,53 9.956,54 14.316,55 7.265,56 29.121,57 1.148,58 1,59 5.484,60 7.962,61 8.957,62 10.092,63 15.091,65 17.241,66 19.654,67 7.824}
{0 CHEMBL2147552,1 5.052,2 9.914,3 14.259,4 15.348,5 16.46,6 3.088,7 3.088,8 12.072,9 13.139,10 17.56,11 10.928,12 8.707,13 7.82,14 6.449,15 0.986,16 3.006,17 5.87,18 9.589,19 9.589,20 11.836,21 12.363,22 0.242,24 4.139,25 4.139,26 10.938,27 6.346,28 2,29 2.811,30 10.651,31 0.255,32 5.188,33 10.06,34 1.393,35 1.393,36 4.051,37 4.057,38 17.547,40 0.092,42 6.401,43 10.712,44 6.524,45 6,46 8.292,47 10.592,48 10.592,49 10.592,50 3.829,51 12.502,52 9.956,53 9.956,54 14.316,55 7.265,56 29.121,57 1.154,59 5.496,60 7.962,61 8.957,62 10.092,63 15.091,65 17.241,66 19.654,67 7.284}
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{0 CHEMBL2148107,1 5.8,2 10.898,3 16.062,4 17.381,5 18.708,6 3.8,7 3.8,8 13.446,9 14.741,10 20.036,11 12.132,12 9.574,13 8.5,14 7.081,15 1.875,16 2.665,17 6.383,18 8.524,19 8.524,20 12.45,21 12.96,22 0.213,23 2,24 4.819,25 4.819,26 11.525,27 6.028,28 13,29 2.617,30 11.614,31 0.218,32 5.92,33 10.621,34 1.36,35 1.36,36 4.57,37 3.725,38 25.156,40 0.038,41 25.292,42 6.075,43 11.388,44 7.064,45 18,46 8.809,47 16.224,48 16.224,49 16.224,50 3.691,51 13.304,52 8.757,53 8.757,54 15.275,55 7.789,56 31.938,57 1.385,59 6.722,60 8.611,61 9.543,62 10.621,63 16.84,64 2,65 19.521,66 22.322,67 8.229}
{0 CHEMBL2148108,1 5.794,2 10.908,3 16.057,4 17.371,5 18.695,6 3.794,7 3.794,8 13.449,9 14.74,10 20.02,11 12.139,12 9.587,13 8.511,14 7.094,15 2.042,16 2.836,17 6.388,18 7.901,19 7.901,20 12.458,21 12.968,22 0.213,23 2,24 4.813,25 4.813,26 11.535,27 5.867,28 13,29 2.616,30 11.63,31 0.218,32 5.915,33 10.628,34 1.36,35 1.36,36 4.57,37 3.911,38 25.023,40 0.047,41 25.292,42 6.443,43 11.409,44 7.072,45 17,46 8.813,47 16.196,48 16.196,49 16.196,50 3.641,51 13.328,52 9.82,53 9.82,54 15.3,55 7.799,56 31.941,57 1.382,59 6.712,60 8.625,61 9.559,62 10.63,63 16.846,64 2,65 19.521,66 22.317,67 9.347}
{0 CHEMBL2151406,1 5.379,2 10.435,3 15.012,4 16.177,5 17.363,6 3.379,7 3.379,8 12.695,9 13.826,10 18.543,11 11.494,12 9.175,13 8.283,14 6.839,15 1.775,16 3.066,17 6.327,18 9.762,19 9.762,20 12.676,21 13.174,22 0.248,23 4,24 4.397,25 4.397,26 11.739,27 6.401,28 14,29 2.839,30 11.306,31 0.265,32 5.472,33 10.806,34 1.552,35 1.552,36 4.373,37 4.114,38 20.34,40 0.076,41 26.279,42 6.73,43 11.271,44 7.079,45 13,46 8.944,47 12.57,48 12.57,49 12.57,50 3.869,51 13.081,52 10.959,53 10.959,54 14.918,55 7.792,56 30.088,57 1.236,59 6.267,60 8.418,61 9.501,62 10.687,63 15.92,64 3,65 18.176,66 20.732,67 6.706}
{0 CHEMBL2151407,1 5.379,2 10.393,3 14.974,4 16.139,5 17.327,6 3.379,7 3.379,8 12.654,9 13.786,10 18.509,11 11.45,12 9.127,13 8.242,14 6.79,15 1.688,16 3.038,17 6.294,18 9.83,19 9.83,20 12.681,21 13.179,22 0.27,23 4,24 4.402,25 4.402,26 11.743,27 6.412,28 15,29 2.808,30 11.317,31 0.29,32 5.477,33 10.81,34 1.675,35 1.675,36 4.327,37 4.11,38 20.398,39 1.8,40 0.007,41 26.247,42 6.775,43 11.272,44 7.081,45 12,46 8.947,47 12.641,48 12.641,49 12.641,50 3.877,51 13.083,52 11.103,53 11.103,54 14.923,55 7.792,56 30.127,57 1.209,58 1,59 6.292,60 8.419,61 9.502,62 10.689,63 15.948,64 3,65 18.218,66 20.78,67 6.695}
{0 CHEMBL2151408,1 5.375,2 10.377,3 14.95,4 16.113,5 17.3,6 3.375,7 3.375,8 12.633,9 13.763,10 18.481,11 11.43,12 9.112,13 8.233,14 6.781,15 1.681,16 3.023,17 6.291,18 9.594,19 9.594,20 12.659,21 13.159,22 0.27,23 4,24 4.392,25 4.392,26 11.724,27 6.333,28 12,29 2.797,30 11.269,31 0.29,32 5.467,33 10.793,34 1.675,35 1.675,36 4.327,37 4.079,38 20.282,39 1.8,40 0.073,41 26.219,42 6.667,43 11.246,44 7.067,45 12,46 8.934,47 12.55,48 12.55,49 12.55,50 3.853,51 13.047,52 10.762,53 10.762,54 14.877,55 7.782,56 30.021,57 1.209,58 1,59 6.247,60 8.398,61 9.484,62 10.673,63 15.867,64 3,65 18.118,66 20.674,67 8.041}
{0 CHEMBL2151409,1 5.375,2 10.377,3 14.949,4 16.112,5 17.299,6 3.375,7 3.375,8 12.633,9 13.762,10 18.48,11 11.43,12 9.112,13 8.233,14 6.781,15 1.737,16 3.022,17 6.291,18 9.588,19 9.588,20 12.658,21 13.157,22 0.27,23 4,24 4.392,25 4.392,26 11.722,27 6.331,28 12,29 2.797,30 11.269,31 0.29,32 5.467,33 10.792,34 1.675,35 1.675,36 4.327,37 4.077,38 20.28,39 1.8,40 0.048,41 26.201,42 6.665,43 11.246,44 7.067,45 13,46 8.934,47 12.547,48 12.547,49 12.547,50 3.854,51 13.047,52 10.75,53 10.75,54 14.877,55 7.782,56 30.02,57 1.208,58 1,59 6.237,60 8.398,61 9.484,62 10.673,63 15.866,64 3,65 18.116,66 20.672,67 7.721}
{0 CHEMBL2151410,1 5.376,2 10.389,3 14.963,4 16.127,5 17.314,6 3.376,7 3.376,8 12.646,9 13.776,10 18.495,11 11.444,12 9.124,13 8.241,14 6.789,15 1.601,16 3.031,17 6.294,18 9.844,19 9.844,20 12.673,21 13.171,22 0.27,23 4,24 4.396,25 4.396,26 11.736,27 6.417,28 12,29 2.808,30 11.306,31 0.29,32 5.471,33 10.804,34 1.675,35 1.675,36 4.327,37 4.1,38 20.338,39 1.8,40 0.031,41 26.219,42 6.724,43 11.271,44 7.079,45 11,46 8.943,47 12.569,48 12.569,49 12.569,50 3.882,51 13.081,52 10.932,53 10.932,54 14.918,55 7.792,56 30.087,57 1.209,58 1,59 6.235,60 8.418,61 9.501,62 10.686,63 15.919,64 3,65 18.174,66 20.731,67 7.77}
{0 CHEMBL2151411,1 5.381,2 10.436,3 15.015,4 16.179,5 17.366,6 3.381,7 3.381,8 12.696,9 13.828,10 18.548,11 11.495,12 9.175,13 8.283,14 6.839,15 1.601,16 3.064,17 6.327,18 9.844,19 9.844,20 12.673,21 13.171,22 0.248,23 4,24 4.397,25 4.397,26 11.736,27 6.417,28 14,29 2.843,30 11.306,31 0.265,32 5.472,33 10.804,34 1.552,35 1.552,36 4.373,37 4.109,38 20.338,40 0.066,41 26.279,42 6.724,43 11.271,44 7.079,45 13,46 8.943,47 12.569,48 12.569,49 12.569,50 3.894,51 13.081,52 10.932,53 10.932,54 14.918,55 7.792,56 30.087,57 1.228,59 6.243,60 8.418,61 9.501,62 10.686,63 15.919,64 3,65 18.174,66 20.731,67 8.77}
{0 CHEMBL2151412,1 5.384,2 10.419,3 15.007,4 16.174,5 17.364,6 3.384,7 3.384,8 12.684,9 13.818,10 18.547,11 11.48,12 9.154,13 8.265,14 6.814,15 1.799,16 3.058,17 6.312,18 9.842,19 9.842,20 12.686,21 13.184,22 0.248,23 4,24 4.404,25 4.404,26 11.748,27 6.415,28 14,29 2.823,30 11.312,31 0.265,32 5.479,33 10.814,34 1.552,35 1.552,36 4.352,37 4.118,38 20.385,40 0.048,41 26.331,42 6.746,43 11.272,44 7.081,45 12,46 8.948,47 12.599,48 12.599,49 12.599,50 3.884,51 13.082,52 11.02,53 11.02,54 14.92,55 7.792,56 30.102,57 1.21,59 6.28,60 8.422,61 9.502,62 10.685,63 15.932,64 3,65 18.194,66 20.753,67 7.699}
{0 CHEMBL2151413,1 5.388,2 10.463,3 15.048,4 16.215,5 17.404,6 3.388,7 3.388,8 12.726,9 13.859,10 18.588,11 11.523,12 9.202,13 8.311,14 6.871,15 1.855,16 3.081,17 6.361,18 10.016,19 10.016,20 12.749,21 13.245,22 0.239,23 4,24 4.412,25 4.412,26 11.808,27 6.464,28 16,29 2.842,30 11.377,31 0.253,32 5.487,33 10.872,34 1.52,35 1.52,36 4.42,37 4.149,38 20.449,40 0.06,41 26.635,42 6.814,43 11.334,44 7.136,45 13,46 9.002,47 12.636,48 12.636,49 12.636,50 3.908,51 13.147,52 11.265,53 11.265,54 14.987,55 7.847,56 30.179,57 1.224,59 6.362,60 8.479,61 9.56,62 10.735,63 16.005,64 3,65 18.269,66 20.831,67 7.959}
{0 CHEMBL2151414,1 5.406,2 10.447,3 15.061,4 16.236,5 17.432,6 3.406,7 3.406,8 12.724,9 13.866,10 18.623,11 11.515,12 9.178,13 8.282,14 6.831,15 1.872,16 3.065,17 6.323,18 9.652,19 9.652,20 12.696,21 13.193,22 0.248,23 4,24 4.424,25 4.424,26 11.756,27 6.353,28 13,29 2.806,30 11.324,31 0.265,32 5.498,33 10.821,34 1.552,35 1.552,36 4.365,37 4.117,38 20.555,40 0.079,41 26.39,42 6.756,43 11.273,44 7.083,45 13,46 8.952,47 12.79,48 12.79,49 12.79,50 3.859,51 13.085,52 11.057,53 11.057,54 14.925,55 7.792,56 30.152,57 1.212,59 6.352,60 8.423,61 9.502,62 10.688,63 15.969,64 3,65 18.25,66 20.822,67 7.187}
{0 CHEMBL2151415,1 5.384,2 10.405,3 15.002,4 16.17,5 17.36,6 3.384,7 3.384,8 12.676,9 13.812,10 18.545,11 11.468,12 9.134,13 8.242,14 6.78,15 1.688,16 3.058,17 6.282,18 9.841,19 9.841,20 12.663,21 13.159,22 0.253,23 4,24 4.404,25 4.404,26 11.723,27 6.415,28 11,29 2.823,30 11.292,31 0.271,32 5.479,33 10.788,34 1.568,35 1.568,36 4.294,37 4.117,38 20.385,40 0.023,41 26.246,42 6.746,43 11.237,44 7.045,45 12,46 8.92,47 12.599,48 12.599,49 12.599,50 3.881,51 13.052,52 11.02,53 11.02,54 14.896,55 7.752,56 30.099,57 1.203,59 6.262,60 8.389,61 9.463,62 10.653,63 15.925,64 3,65 18.19,66 20.75,67 8.481}
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{0 CHEMBL2153747,1 5.389,2 10.408,3 14.999,4 16.167,5 17.358,6 3.389,7 3.389,8 12.674,9 13.807,10 18.543,11 11.466,12 9.136,13 8.253,14 6.789,15 1.601,16 3.041,17 6.298,18 9.55,19 9.55,20 12.623,21 13.123,22 0.245,23 4,24 4.395,25 4.395,26 11.689,27 6.323,28 11,29 2.797,30 11.243,31 0.262,32 5.463,33 10.759,34 1.524,35 1.524,36 4.309,37 4.078,38 20.276,40 0.049,41 26.194,42 6.661,43 11.21,44 7.029,45 16,46 8.901,47 12.545,48 12.545,49 12.545,50 3.841,51 13.015,52 10.735,53 10.735,54 14.85,55 7.742,56 30.012,57 1.232,59 6.246,60 8.362,61 9.445,62 10.637,63 15.851,64 3,65 18.107,66 20.663,67 6.928}
{0 CHEMBL2153748,1 5.378,2 10.4,3 14.978,4 16.142,5 17.329,6 3.378,7 3.378,8 12.66,9 13.79,10 18.511,11 11.454,12 9.13,13 8.249,14 6.786,15 1.601,16 3.042,17 6.297,18 9.55,19 9.55,20 12.623,21 13.123,22 0.245,23 4,24 4.392,25 4.392,26 11.689,27 6.323,28 13,29 2.813,30 11.243,31 0.262,32 5.459,33 10.759,34 1.524,35 1.524,36 4.309,37 4.079,38 20.276,40 0.1,41 26.163,42 6.661,43 11.21,44 7.029,45 16,46 8.901,47 12.545,48 12.545,49 12.545,50 3.846,51 13.015,52 10.735,53 10.735,54 14.85,55 7.742,56 30.012,57 1.235,59 6.214,60 8.362,61 9.445,62 10.637,63 15.851,64 3,65 18.107,66 20.663,67 8.208}
{0 CHEMBL2153749,1 5.387,2 10.446,3 15.039,4 16.207,5 17.396,6 3.387,7 3.387,8 12.714,9 13.85,10 18.58,11 11.51,12 9.183,13 8.287,14 6.841,15 1.75,16 3.082,17 6.328,18 9.698,19 9.698,20 12.684,21 13.181,22 0.248,23 4,24 4.405,25 4.405,26 11.744,27 6.384,28 14,29 2.827,30 11.317,31 0.265,32 5.48,33 10.812,34 1.552,35 1.552,36 4.373,37 4.122,38 20.403,40 0.026,41 26.323,42 6.776,43 11.272,44 7.081,45 14,46 8.947,47 12.646,48 12.646,49 12.646,50 3.856,51 13.083,52 11.107,53 11.107,54 14.923,55 7.792,56 30.126,57 1.242,59 6.277,60 8.419,61 9.502,62 10.69,63 15.948,64 3,65 18.217,66 20.78,67 8.036}
{0 CHEMBL2153750,1 5.376,2 10.388,3 14.957,4 16.121,5 17.307,6 3.376,7 3.376,8 12.642,9 13.771,10 18.488,11 11.44,12 9.125,13 8.246,14 6.799,15 1.629,16 3.028,17 6.305,18 9.57,19 9.57,20 12.66,21 13.16,22 0.27,23 4,24 4.392,25 4.392,26 11.725,27 6.329,28 12,29 2.8,30 11.269,31 0.29,32 5.467,33 10.793,34 1.675,35 1.675,36 4.35,37 4.081,38 20.282,39 1.8,40 0.094,41 26.111,42 6.668,43 11.246,44 7.067,45 10,46 8.934,47 12.55,48 12.55,49 12.55,50 3.844,51 13.047,52 10.764,53 10.764,54 14.877,55 7.782,56 30.021,57 1.205,58 1,59 6.281,60 8.398,61 9.484,62 10.673,63 15.867,64 3,65 18.118,66 20.674,67 8.721}
{0 CHEMBL2153751,1 5.375,2 10.377,3 14.949,4 16.113,5 17.3,6 3.375,7 3.375,8 12.633,9 13.762,10 18.481,11 11.43,12 9.112,13 8.233,14 6.781,15 1.629,16 3.023,17 6.291,18 9.57,19 9.57,20 12.66,21 13.16,22 0.27,23 4,24 4.392,25 4.392,26 11.725,27 6.329,28 14,29 2.795,30 11.269,31 0.29,32 5.467,33 10.793,34 1.675,35 1.675,36 4.327,37 4.079,38 20.282,39 1.8,40 0.094,41 26.219,42 6.668,43 11.246,44 7.067,45 12,46 8.934,47 12.55,48 12.55,49 12.55,50 3.844,51 13.047,52 10.764,53 10.764,54 14.877,55 7.782,56 30.021,57 1.209,58 1,59 6.244,60 8.398,61 9.484,62 10.673,63 15.867,64 3,65 18.118,66 20.674,67 8.268}
{0 CHEMBL2153752,1 5.376,2 10.403,3 14.969,4 16.132,5 17.318,6 3.376,7 3.376,8 12.655,9 13.783,10 18.498,11 11.455,12 9.143,13 8.263,14 6.82,15 1.629,16 3.034,17 6.321,18 9.57,19 9.57,20 12.66,21 13.16,22 0.248,23 4,24 4.392,25 4.392,26 11.725,27 6.329,28 15,29 2.807,30 11.269,31 0.265,32 5.468,33 10.793,34 1.552,35 1.552,36 4.373,37 4.082,38 20.282,40 0.089,41 26.279,42 6.668,43 11.246,44 7.067,45 14,46 8.934,47 12.55,48 12.55,49 12.55,50 3.846,51 13.047,52 10.764,53 10.764,54 14.877,55 7.782,56 30.021,57 1.233,59 6.268,60 8.398,61 9.484,62 10.673,63 15.867,64 3,65 18.118,66 20.674,67 7.602}
{0 CHEMBL2153753,1 5.377,2 10.465,3 15.015,4 16.174,5 17.357,6 3.377,7 3.377,8 12.71,9 13.834,10 18.534,11 11.514,12 9.211,13 8.327,14 6.894,15 1.865,16 3.05,17 6.38,18 9.594,19 9.594,20 12.705,21 13.204,22 0.239,23 4,24 4.394,25 4.394,26 11.769,27 6.338,28 15,29 2.835,30 11.319,31 0.253,32 5.469,33 10.838,34 1.52,35 1.52,36 4.446,37 4.093,38 20.285,40 0.093,41 26.521,42 6.672,43 11.307,44 7.12,45 17,46 8.98,47 12.551,48 12.551,49 12.551,50 3.859,51 13.109,52 10.781,53 10.781,54 14.939,55 7.838,56 30.055,57 1.273,59 6.338,60 8.454,61 9.543,62 10.719,63 15.903,64 3,65 18.146,66 20.697,67 6.548}
{0 CHEMBL2153754,1 5.392,2 10.748,3 15.404,4 16.583,5 17.778,6 3.392,7 3.392,8 13.054,9 14.209,10 18.969,11 11.848,12 9.495,13 8.532,14 7.128,15 2.094,16 3.31,17 6.498,18 10.701,19 10.701,20 12.755,21 13.253,22 0.234,23 4,24 4.407,25 4.407,26 11.816,27 6.656,28 15,29 2.998,30 11.497,31 0.248,32 5.482,33 10.887,34 1.505,35 1.505,36 4.637,37 4.313,38 20.298,40 0.095,41 26.635,42 7.108,43 11.45,44 7.21,45 20,46 9.027,47 12.559,48 12.559,49 12.559,50 4.047,51 13.284,52 11.717,53 11.717,54 15.145,55 7.924,56 30.462,57 1.279,59 6.373,60 8.637,61 9.656,62 10.783,63 16.157,64 3,65 18.446,66 20.989,67 6.5}
{0 CHEMBL2153755,1 5.375,2 10.387,3 14.956,4 16.119,5 17.305,6 3.375,7 3.375,8 12.641,9 13.769,10 18.486,11 11.44,12 9.125,13 8.246,14 6.799,15 1.74,16 3.026,17 6.305,18 9.574,19 9.574,20 12.659,21 13.158,22 0.27,23 4,24 4.392,25 4.392,26 11.723,27 6.329,28 12,29 2.801,30 11.269,31 0.29,32 5.467,33 10.793,34 1.675,35 1.675,36 4.35,37 4.079,38 20.281,39 1.8,40 0.03,41 26.114,42 6.665,43 11.246,44 7.067,45 11,46 8.934,47 12.547,48 12.547,49 12.547,50 3.846,51 13.047,52 10.752,53 10.752,54 14.877,55 7.782,56 30.02,57 1.205,58 1,59 6.308,60 8.398,61 9.484,62 10.673,63 15.866,64 3,65 18.116,66 20.672,67 8.046}
{0 CHEMBL2153756,1 5.375,2 10.377,3 14.948,4 16.112,5 17.299,6 3.375,7 3.375,8 12.633,9 13.762,10 18.48,11 11.43,12 9.112,13 8.233,14 6.781,15 1.74,16 3.023,17 6.291,18 9.574,19 9.574,20 12.659,21 13.158,22 0.27,23 4,24 4.392,25 4.392,26 11.723,27 6.329,28 12,29 2.796,30 11.269,31 0.29,32 5.467,33 10.793,34 1.675,35 1.675,36 4.327,37 4.078,38 20.281,39 1.8,40 0.051,41 26.201,42 6.665,43 11.246,44 7.067,45 13,46 8.934,47 12.547,48 12.547,49 12.547,50 3.845,51 13.047,52 10.752,53 10.752,54 14.877,55 7.782,56 30.02,57 1.209,58 1,59 6.26,60 8.398,61 9.484,62 10.673,63 15.866,64 3,65 18.116,66 20.672,67 6.717}
{0 CHEMBL215803,1 5.197,2 10.099,3 14.455,4 15.556,5 16.687,6 3.197,7 3.197,8 12.252,9 13.319,10 17.806,11 11.092,12 8.866,13 8.04,14 6.611,15 1.445,16 2.948,17 6.155,18 9.484,19 9.484,20 12.536,21 13.041,22 0.267,24 4.272,25 4.272,26 11.61,27 6.325,28 8,29 2.763,30 11.14,31 0.285,32 5.376,33 10.688,34 1.619,35 1.619,36 4.212,37 4.052,38 19.301,40 -0.018,42 6.592,43 11.166,44 6.987,45 6,46 8.843,47 11.657,48 11.657,49 11.657,50 3.885,51 12.96,52 10.509,53 10.509,54 14.777,55 7.705,56 29.714,57 1.189,59 6.22,60 8.318,61 9.408,62 10.578,63 15.624,65 17.782,66 20.282,67 6}
{0 CHEMBL221959,1 4.985,2 9.557,3 13.781,4 14.846,5 15.938,6 3.046,7 3.046,8 11.648,9 12.682,10 17.017,11 10.524,12 8.358,13 7.548,14 6.15,15 0.903,16 2.813,17 5.702,18 8.302,19 8.302,20 11.889,21 12.415,22 0.274,23 1,24 4.155,25 4.155,26 10.994,27 5.963,28 5,29 2.528,30 10.61,31 0.289,32 5.236,33 10.101,34 1.567,35 1.567,36 3.769,37 3.883,38 18.665,40 -0.035,41 12.035,42 6.327,43 10.679,44 6.497,45 1,46 8.318,47 11.145,48 11.145,49 11.145,50 3.58,51 12.469,52 9.527,53 9.527,54 14.283,55 7.238,56 29.176,57 0.99,59 5.78,60 7.817,61 8.928,62 10.075,63 15.061,64 1,65 17.192,66 19.673,67 5}
{0 CHEMBL223360,1 5.18,2 9.856,3 14.176,4 15.272,5 16.408,6 3.18,7 3.18,8 11.984,9 13.035,10 17.527,11 10.815,12 8.606,13 7.835,14 6.38,15 0.847,16 2.77,17 5.992,18 8.159,19 8.159,20 12.051,21 12.583,22 0.276,23 1,24 4.209,25 4.209,26 11.162,27 5.886,28 1,29 2.619,30 10.705,31 0.296,32 5.253,33 10.281,34 1.634,35 1.634,36 4.027,37 3.851,38 18.697,39 2.2,40 0.141,41 12.167,42 6.094,43 10.809,44 6.683,45 16,46 8.516,47 11.471,48 11.471,49 11.471,50 3.656,51 12.567,52 8.874,53 8.874,54 14.354,55 7.43,56 29.198,57 1.122,58 1,59 5.779,60 7.973,61 9.09,62 10.266,63 15.123,64 1,65 17.278,66 19.767,67 5}
{0 CHEMBL230006,1 6.045,2 11.947,3 17.262,4 18.609,5 19.963,6 4.045,7 4.045,8 14.586,9 15.917,10 21.321,11 13.248,12 10.603,13 9.376,14 7.967,15 2.986,16 3.691,17 6.957,18 13.783,19 13.783,20 13.236,21 13.697,22 0.187,23 3,24 5.043,25 5.043,26 12.236,27 7.631,28 5,29 3.519,30 12.598,31 0.191,32 6.043,33 11.25,34 1.206,35 1.206,36 5.23,37 4.698,38 28.011,40 -0.033,41 26.433,42 8.091,43 12.166,44 7.606,45 50,46 9.269,47 17.916,48 17.916,49 17.916,50 4.523,51 14.185,52 15.374,53 15.374,54 16.231,55 8.276,56 33.007,57 1.584,59 6.709,60 9.378,61 10.187,62 11.238,63 17.98,64 3,65 20.691,66 23.527,67 6.602}
{0 CHEMBL230011,1 5.116,2 9.724,3 13.978,4 15.053,5 16.17,6 3.116,7 3.116,8 11.822,9 12.853,10 17.267,11 10.665,12 8.483,13 7.727,14 6.282,15 1.035,16 2.771,17 5.9,18 8.121,19 8.121,20 12.147,21 12.661,22 0.29,24 4.196,25 4.196,26 11.232,27 5.838,28 5,29 2.605,30 10.724,31 0.315,32 5.279,33 10.33,34 1.675,35 1.675,36 3.968,37 3.854,38 18.39,40 -0.108,42 6.389,43 10.802,44 6.671,45 8,46 8.521,47 11.176,48 11.176,49 11.176,50 3.636,51 12.566,52 9.753,53 9.753,54 14.356,55 7.405,56 29.151,57 1.03,59 5.791,60 7.958,61 9.076,62 10.312,63 15.131,65 17.239,66 19.729,67 5}
{0 CHEMBL2309006,1 5.709,2 11.207,3 16.204,4 17.471,5 18.749,6 3.709,7 3.709,8 13.683,9 14.93,10 20.028,11 12.408,12 9.902,13 8.823,14 7.394,15 2.737,16 3.461,17 6.638,18 12.128,19 12.128,20 13.422,21 13.871,22 0.249,23 1,24 4.888,25 4.888,26 12.405,27 7.068,28 4,29 3.106,30 12.272,31 0.269,32 6.014,33 11.39,34 1.547,35 1.547,36 4.765,37 4.519,38 26.593,40 0.009,41 13.164,42 7.514,43 11.906,44 7.505,45 14,46 9.363,47 17.076,48 17.076,49 17.076,50 4.173,51 13.864,52 13.895,53 13.895,54 15.858,55 8.157,56 32.453,57 1.279,59 6.447,60 9.076,61 9.995,62 11.114,63 17.511,64 1,65 20.164,66 22.975,67 6.854}
{0 CHEMBL2309609,1 5.603,2 11.095,3 15.901,4 17.125,5 18.365,6 3.603,7 3.603,8 13.47,9 14.666,10 19.604,11 12.23,12 9.813,13 8.823,14 7.385,15 3.053,16 3.318,17 6.748,18 11.917,19 11.917,20 13.474,21 13.932,22 0.226,23 2,24 4.733,25 4.733,26 12.47,27 6.996,28 22,29 3.089,30 12.174,31 0.242,32 5.865,33 11.471,34 1.495,35 1.495,36 4.821,37 4.427,38 24.412,40 -0.031,41 27.424,42 7.445,43 11.907,44 7.595,45 20,46 9.48,47 15.525,48 15.525,49 15.525,50 4.161,51 13.806,52 13.614,53 13.614,54 15.736,55 8.263,56 31.717,57 1.349,59 6.789,60 9.055,61 10.052,62 11.225,63 17.185,64 2,65 19.696,66 22.418,67 6.538}
{0 CHEMBL2310935,1 5.281,2 10.428,3 14.854,4 15.976,5 17.124,6 3.281,7 3.281,8 12.615,9 13.703,10 18.264,11 11.445,12 9.195,13 8.335,14 6.923,15 2.239,16 3.034,17 6.417,18 9.942,19 9.942,20 12.466,21 12.991,22 0.253,23 4,24 4.285,25 4.285,26 11.567,27 6.484,28 8,29 2.877,30 11.245,31 0.266,32 5.325,33 10.679,34 1.629,35 1.629,36 4.514,37 4.095,38 19.361,40 0.071,41 51.051,42 6.684,43 11.305,44 7.102,45 12,46 8.897,47 11.778,48 11.778,49 11.778,50 3.915,51 13.101,52 10.654,53 10.654,54 14.922,55 7.847,56 29.917,57 1.158,59 6.736,60 8.424,61 9.547,62 10.655,63 15.741,64 4,65 17.902,66 20.413,67 4.509}
{0 CHEMBL23254,1 5.018,2 9.712,3 13.845,4 14.887,5 15.963,6 3.018,7 3.018,8 11.756,9 12.764,10 17.023,11 10.65,12 8.538,13 7.749,14 6.398,15 1.122,16 2.831,17 5.937,18 8.518,19 8.518,20 12.162,21 12.683,22 0.286,23 1,24 4.166,25 4.166,26 11.256,27 6.009,28 7,29 2.653,30 10.839,31 0.299,32 5.249,33 10.365,34 1.73,35 1.73,36 4.115,37 3.928,38 18.574,39 1.8,40 -0.153,41 11.197,42 6.355,43 10.952,44 6.777,45 7,46 8.578,47 11.242,48 11.242,49 11.242,50 3.719,51 12.726,52 9.502,53 9.502,54 14.523,55 7.523,56 29.299,57 1.165,58 1,59 5.863,60 8.09,61 9.211,62 10.32,63 15.228,64 1,65 17.339,66 19.802,67 4}
{0 CHEMBL2326002,1 5.318,2 10.307,3 14.916,4 16.083,5 17.265,6 3.349,7 3.349,8 12.59,9 13.734,10 18.444,11 11.398,12 9.068,13 8.11,14 6.722,15 1.396,16 3.101,17 6.097,18 10.022,19 10.022,20 12.323,21 12.838,22 0.288,24 4.451,25 4.451,26 11.411,27 6.465,28 4,29 2.727,30 11.303,31 0.302,32 5.519,33 10.503,34 1.728,35 1.728,36 4.253,37 4.191,38 21.008,39 3.8,40 0.043,42 6.817,43 11.238,44 6.929,45 4,46 8.684,47 13.298,48 13.298,49 13.298,50 3.895,51 13.108,52 11.27,53 11.27,54 15.009,55 7.656,56 30.73,57 1.149,58 2,59 6.022,60 8.415,61 9.413,62 10.487,63 16.09,65 18.477,66 21.06,67 8.456}
{0 CHEMBL23327,1 5.016,2 9.476,3 13.591,4 14.631,5 15.711,6 3.016,7 3.016,8 11.505,9 12.505,10 16.774,11 10.394,12 8.29,13 7.541,14 6.164,15 0.886,16 2.653,17 5.768,18 8.274,19 8.274,20 12.028,21 12.55,22 0.272,24 4.165,25 4.165,26 11.123,27 5.939,28 7,29 2.535,30 10.651,31 0.284,32 5.247,33 10.233,34 1.617,35 1.617,36 3.901,37 3.72,38 18.573,39 1.9,40 -0.143,42 6.012,43 10.769,44 6.627,45 7,46 8.45,47 11.241,48 11.241,49 11.241,50 3.645,51 12.529,52 8.547,53 8.547,54 14.315,55 7.375,56 29.076,57 1.165,58 1,59 5.754,60 7.923,61 9.044,62 10.176,63 15.033,65 17.149,66 19.626,67 4}
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{0 CHEMBL24828,1 5.026,2 9.556,3 13.657,4 14.688,5 15.776,6 3.026,7 3.026,8 11.577,9 12.555,10 16.835,11 10.435,12 8.317,13 7.635,14 6.17,15 0.958,16 2.672,17 5.877,18 8.482,19 8.482,20 12.051,21 12.585,22 0.284,24 4.104,25 4.104,26 11.167,27 5.997,28 7,29 2.542,30 10.62,31 0.298,32 5.183,33 10.289,34 1.715,35 1.715,36 3.884,37 3.801,38 17.498,39 3.7,40 0.093,42 6.11,43 10.793,44 6.693,45 5,46 8.534,47 10.547,48 10.547,49 10.547,50 3.611,51 12.528,52 8.93,53 8.93,54 14.287,55 7.449,56 28.798,57 1.181,58 2,59 5.806,60 7.958,61 9.094,62 10.315,63 14.876,65 16.895,66 19.32,67 5}
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{0 CHEMBL259922,1 5.07,2 9.868,3 14.074,4 15.133,5 16.233,6 3.07,7 3.07,8 11.946,9 12.964,10 17.312,11 10.802,12 8.634,13 7.881,14 6.42,15 0.875,16 2.927,17 6.058,18 8.722,19 8.722,20 12.212,21 12.738,22 0.271,23 1,24 4.174,25 4.174,26 11.316,27 6.065,28 14,29 2.607,30 10.815,31 0.294,32 5.256,33 10.425,34 1.642,35 1.642,36 4.02,37 3.949,38 18.687,40 0.084,41 12.541,42 6.231,43 10.911,44 6.786,45 9,46 8.645,47 11.286,48 11.286,49 11.286,50 3.666,51 12.675,52 9.327,53 9.327,54 14.467,55 7.527,56 29.248,57 1.092,59 5.801,60 8.079,61 9.188,62 10.362,63 15.21,64 1,65 17.328,66 19.797,67 4.398}
{0 CHEMBL261387,1 5.375,2 10.341,3 14.935,4 16.103,5 17.289,6 3.375,7 3.375,8 12.612,9 13.752,10 18.472,11 11.421,12 9.109,13 8.166,14 6.792,15 1.904,16 3.013,17 6.169,18 10.612,19 10.612,20 12.636,21 13.12,22 0.303,23 1,24 4.474,25 4.474,26 11.673,27 6.694,28 4,29 2.798,30 11.436,31 0.318,32 5.531,33 10.726,34 1.784,35 1.784,36 4.364,37 4.159,38 21.109,39 6.1,40 -0.084,41 12.822,42 7.042,43 11.323,44 7.031,45 5,46 8.825,47 13.114,48 13.114,49 13.114,50 3.955,51 13.185,52 11.813,53 11.813,54 15.071,55 7.731,56 30.58,57 1.264,58 3,59 6.28,60 8.499,61 9.498,62 10.557,63 16.199,64 1,65 18.544,66 21.133,67 7.527}
{0 CHEMBL261849,1 4.848,2 9.285,3 13.18,4 14.14,5 15.181,6 2.848,7 2.848,8 11.209,9 12.115,10 16.17,11 10.092,12 8.06,13 7.44,14 5.986,15 0.764,16 2.669,17 5.73,18 7.336,19 7.336,20 11.692,21 12.248,22 0.269,24 3.914,25 3.914,26 10.838,27 5.48,28 2,29 2.572,30 10.249,31 0.283,32 4.983,33 9.989,34 1.588,35 1.588,36 3.753,37 3.771,38 15.607,40 -0.108,42 6.074,43 10.524,44 6.463,45 9,46 8.29,47 9.236,48 9.236,49 9.236,50 3.614,51 12.224,52 8.785,53 8.785,54 13.945,55 7.239,56 28.081,57 1.132,59 5.638,60 7.7,61 8.856,62 10.048,63 14.312,65 16.195,66 18.531,67 5}
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{0 CHEMBL263910,1 5.386,2 10.759,3 15.354,4 16.521,5 17.709,6 3.386,7 3.386,8 13.029,9 14.165,10 18.892,11 11.828,12 9.504,13 8.59,14 7.168,15 2.348,16 3.278,17 6.607,18 10.02,19 10.02,20 12.856,21 13.356,22 0.236,23 4,24 4.419,25 4.419,26 11.921,27 6.503,28 12,29 2.925,30 11.532,31 0.248,32 5.505,33 10.994,34 1.53,35 1.53,36 4.697,37 4.281,38 20.434,40 0.102,41 51.234,42 6.99,43 11.522,44 7.309,45 24,46 9.141,47 12.434,48 12.434,49 12.434,50 3.962,51 13.334,52 11.775,53 11.775,54 15.17,55 8.028,56 30.308,57 1.313,59 6.677,60 8.66,61 9.747,62 10.909,63 16.122,64 4,65 18.357,66 20.911,67 7.301}
{0 CHEMBL265559,1 5.278,2 10.328,3 14.735,4 15.854,5 17.002,6 3.278,7 3.278,8 12.503,9 13.587,10 18.142,11 11.338,12 9.102,13 8.248,14 6.845,15 1.903,16 2.933,17 6.339,18 9.415,19 9.415,20 12.382,21 12.909,22 0.264,23 4,24 4.281,25 4.281,26 11.487,27 6.253,28 8,29 2.866,30 11.131,31 0.279,32 5.372,33 10.601,34 1.648,35 1.648,36 4.45,37 3.983,38 19.322,40 0.033,41 49.712,42 6.504,43 11.213,44 7.027,45 12,46 8.825,47 11.775,48 11.775,49 11.775,50 3.905,51 12.998,52 10.027,53 10.027,54 14.808,55 7.773,56 29.734,57 1.14,59 6.514,60 8.344,61 9.465,62 10.582,63 15.591,64 4,65 17.743,66 20.242,67 8.398}
{0 CHEMBL265998,1 6.164,2 11.757,3 17.277,4 18.678,5 20.084,6 4.164,7 4.164,8 14.495,9 15.88,10 21.493,11 13.107,12 10.371,13 9.118,14 7.673,15 3.384,16 3.552,17 6.71,18 10.265,19 10.265,20 13.311,21 13.754,22 0.209,23 5,24 5.238,25 5.238,26 12.282,27 6.664,28 12,29 2.984,30 12.541,31 0.214,32 6.31,33 11.259,34 1.334,35 1.334,36 4.922,37 4.613,38 29.615,40 0.017,41 38.728,42 8.134,43 11.967,44 7.441,45 18,46 9.225,47 19.884,48 19.884,49 19.884,50 3.971,51 14.003,52 15.581,53 15.581,54 16.082,55 8.103,56 33.354,57 1.267,59 6.936,60 9.243,61 9.991,62 11.052,63 18.21,64 5,65 21.097,66 24.067,67 7.827}
{0 CHEMBL271403,1 5.32,2 10.127,3 14.683,4 15.841,5 17.017,6 3.32,7 3.32,8 12.379,9 13.507,10 18.189,11 11.191,12 8.889,13 7.975,14 6.576,15 1.532,16 2.967,17 6.009,18 8.526,19 8.526,20 12.396,21 12.888,22 0.265,23 1,24 4.382,25 4.382,26 11.448,27 6.06,28 4,29 2.498,30 11.068,31 0.279,32 5.439,33 10.51,34 1.542,35 1.542,36 4.132,37 4.029,38 20.258,40 -0.127,41 12.786,42 6.715,43 11.007,44 6.786,45 5,46 8.631,47 12.524,48 12.524,49 12.524,50 3.533,51 12.83,52 10.721,53 10.721,54 14.679,55 7.492,56 29.929,57 1.263,59 6.009,60 8.141,61 9.221,62 10.343,63 15.721,64 1,65 18.001,66 20.568,67 8.004}
{0 CHEMBL27266,1 5.208,2 9.855,3 14.297,4 15.422,5 16.567,6 3.208,7 3.208,8 12.053,9 13.149,10 17.705,11 10.887,12 8.63,13 7.749,14 6.353,15 1.331,16 2.908,17 5.821,18 7.682,19 7.682,20 12.041,21 12.551,22 0.259,23 1,24 4.269,25 4.269,26 11.121,27 5.7,28 1,29 2.449,30 10.79,31 0.271,32 5.326,33 10.213,34 1.486,35 1.486,36 3.941,37 3.945,38 19.466,40 -0.109,41 12.661,42 6.588,43 10.779,44 6.569,45 5,46 8.389,47 11.839,48 11.839,49 11.839,50 3.51,51 12.589,52 10.287,53 10.287,54 14.426,55 7.292,56 29.559,57 1.261,59 5.974,60 7.905,61 9.006,62 10.103,63 15.37,64 1,65 17.597,66 20.126,67 5.424}
{0 CHEMBL27768,1 6.167,2 11.873,3 17.384,4 18.78,5 20.181,6 4.167,7 4.167,8 14.609,9 15.991,10 21.585,11 13.224,12 10.489,13 9.224,14 7.785,15 3.467,16 3.71,17 6.788,18 13.422,19 13.422,20 13.394,21 13.836,22 0.213,23 5,24 5.241,25 5.241,26 12.361,27 7.621,28 11,29 3.188,30 12.674,31 0.218,32 6.312,33 11.337,34 1.36,35 1.36,36 5.022,37 4.778,38 29.694,40 -0.01,41 38.824,42 8.306,43 12.091,44 7.535,45 15,46 9.294,47 19.888,48 19.888,49 19.888,50 4.248,51 14.138,52 16.366,53 16.366,54 16.222,55 8.191,56 33.454,57 1.221,59 7.01,60 9.366,61 10.1,62 11.137,63 18.328,64 5,65 21.199,66 24.158,67 9.046}
{0 CHEMBL278041,1 5.103,2 9.629,3 13.862,4 14.929,5 16.048,6 3.103,7 3.103,8 11.714,9 12.731,10 17.141,11 10.546,12 8.362,13 7.644,14 6.146,15 1.077,16 2.698,17 5.827,18 7.837,19 7.837,20 11.983,21 12.507,22 0.275,24 4.171,25 4.171,26 11.083,27 5.772,28 3,29 2.525,30 10.53,31 0.299,32 5.206,33 10.188,34 1.58,35 1.58,36 3.776,37 3.728,38 18.235,39 2.6,40 0.005,42 6.079,43 10.641,44 6.535,45 9,46 8.404,47 11.08,48 11.08,49 11.08,50 3.554,51 12.392,52 8.826,53 8.826,54 14.173,55 7.281,56 28.926,57 1.081,58 1,59 5.609,60 7.818,61 8.93,62 10.115,63 14.917,65 17.035,66 19.507,67 5}
{0 CHEMBL28205,1 5.1,2 9.618,3 13.87,4 14.946,5 16.062,6 3.1,7 3.1,8 11.713,9 12.746,10 17.159,11 10.558,12 8.375,13 7.632,14 6.171,15 1.292,16 2.769,17 5.834,18 7.249,19 7.249,20 11.827,21 12.361,22 0.203,23 1,24 4.174,25 4.174,26 10.937,27 5.491,28 2,29 2.353,30 10.533,31 0.206,32 5.23,33 10.069,34 1.268,35 1.268,36 3.83,37 3.775,38 18.655,40 -0.016,41 12.687,42 6.211,43 10.631,44 6.497,45 17,46 8.326,47 11.194,48 11.194,49 11.194,50 3.415,51 12.398,52 9.113,53 9.113,54 14.196,55 7.256,56 29.103,57 1.357,59 6.096,60 7.771,61 8.91,62 10.024,63 14.966,64 1,65 17.099,66 19.592,67 5.604}
{0 CHEMBL288441,1 5.122,2 9.765,3 13.978,4 15.048,5 16.164,6 3.122,7 3.122,8 11.836,9 12.855,10 17.26,11 10.684,12 8.527,13 7.807,14 6.355,15 1.278,16 2.714,17 6.03,18 8.973,19 8.973,20 12.271,21 12.799,22 0.269,24 4.181,25 4.181,26 11.379,27 6.128,28 7,29 2.58,30 10.882,31 0.281,32 5.25,33 10.491,34 1.692,35 1.692,36 4.046,37 3.898,38 18.287,39 3.1,40 0.097,42 6.254,43 11.017,44 6.884,45 4,46 8.719,47 11.06,48 11.06,49 11.06,50 3.692,51 12.771,52 9.396,53 9.396,54 14.549,55 7.636,56 29.199,57 1.233,58 2,59 6.127,60 8.165,61 9.298,62 10.5,63 15.213,65 17.281,66 19.737,67 5}
{0 CHEMBL291975,1 5.407,2 10.572,3 15.17,4 16.34,5 17.532,6 3.407,7 3.407,8 12.842,9 13.977,10 18.719,11 11.632,12 9.297,13 8.412,14 6.943,15 1.588,16 3.128,17 6.454,18 10.375,19 10.375,20 12.821,21 13.316,22 0.221,23 4,24 4.426,25 4.426,26 11.878,27 6.579,28 13,29 2.892,30 11.426,31 0.236,32 5.487,33 10.941,34 1.429,35 1.429,36 4.446,37 4.192,38 20.537,40 0.032,41 26.552,42 6.864,43 11.372,44 7.189,45 20,46 9.07,47 12.679,48 12.679,49 12.679,50 3.95,51 13.184,52 11.464,53 11.464,54 15.025,55 7.896,56 30.243,57 1.196,59 6.361,60 8.534,61 9.603,62 10.752,63 16.066,64 3,65 18.34,66 20.906,67 7.377}
{0 CHEMBL292495,1 5.405,2 10.466,3 15.104,4 16.281,5 17.478,6 3.405,7 3.405,8 12.758,9 13.905,10 18.669,11 11.544,12 9.191,13 8.28,14 6.818,15 1.723,16 3.111,17 6.302,18 10.243,19 10.243,20 12.699,21 13.193,22 0.248,23 4,24 4.422,25 4.422,26 11.754,27 6.535,28 13,29 2.866,30 11.318,31 0.265,32 5.509,33 10.813,34 1.539,35 1.539,36 4.308,37 4.167,38 20.497,40 0.003,41 26.182,42 6.82,43 11.25,44 7.055,45 14,46 8.936,47 12.66,48 12.66,49 12.66,50 3.918,51 13.068,52 11.317,53 11.317,54 14.915,55 7.76,56 30.165,57 1.203,59 6.452,60 8.405,61 9.474,62 10.612,63 15.978,64 3,65 18.265,66 20.833,67 6.523}
{0 CHEMBL293500,1 5.279,2 10.38,3 14.785,4 15.903,5 17.049,6 3.279,7 3.279,8 12.556,9 13.638,10 18.186,11 11.389,12 9.148,13 8.297,14 6.883,15 1.989,16 2.943,17 6.383,18 9.307,19 9.307,20 12.372,21 12.901,22 0.253,23 4,24 4.281,25 4.281,26 11.48,27 6.221,28 3,29 2.899,30 11.126,31 0.266,32 5.31,33 10.598,34 1.602,35 1.602,36 4.472,37 3.971,38 19.32,40 0.058,41 49.804,42 6.503,43 11.216,44 7.033,45 15,46 8.829,47 11.775,48 11.775,49 11.775,50 3.927,51 12.998,52 10.016,53 10.016,54 14.807,55 7.781,56 29.728,57 1.211,59 6.586,60 8.347,61 9.47,62 10.586,63 15.582,64 4,65 17.736,66 20.232,67 5.638}
{0 CHEMBL293805,1 5.407,2 10.676,3 15.257,4 16.421,5 17.605,6 3.407,7 3.407,8 12.94,9 14.075,10 18.785,11 11.747,12 9.433,13 8.505,14 7.105,15 2.029,16 3.126,17 6.512,18 10.365,19 10.365,20 12.828,21 13.323,22 0.232,23 5,24 4.426,25 4.426,26 11.883,27 6.577,28 13,29 2.938,30 11.545,31 0.245,32 5.497,33 10.952,34 1.508,35 1.508,36 4.653,37 4.19,38 20.534,40 -0.165,41 39.112,42 6.863,43 11.488,44 7.262,45 18,46 9.085,47 12.678,48 12.678,49 12.678,50 4.088,51 13.313,52 11.457,53 11.457,54 15.162,55 7.971,56 30.357,57 1.199,59 6.42,60 8.682,61 9.7,62 10.799,63 16.187,64 4,65 18.46,66 21.005,67 5.097}
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{0 CHEMBL296468,1 5.255,2 9.95,3 14.546,4 15.715,5 16.898,6 3.319,7 3.319,8 12.223,9 13.367,10 18.079,11 11.039,12 8.731,13 7.776,14 6.426,15 0.511,16 2.803,17 5.803,18 7.783,19 7.783,20 11.676,21 12.228,22 0.292,23 1,24 4.324,25 4.324,26 10.814,27 5.63,29 2.377,30 10.597,31 0.304,32 5.526,33 9.968,34 1.706,35 1.706,36 4.011,37 3.826,38 18.723,40 -0.063,41 12.249,42 6.056,43 10.709,44 6.518,45 5,46 8.262,47 11.698,48 11.698,49 11.698,50 3.537,51 12.506,52 8.732,53 8.732,54 14.337,55 7.28,56 29.57,57 1.203,59 5.319,60 7.971,61 8.959,62 9.953,63 15.115,64 1,65 17.376,66 19.847,67 5}
{0 CHEMBL296682,1 5.18,2 9.495,3 13.955,4 15.083,5 16.238,6 3.18,7 3.18,8 11.698,9 12.794,10 17.381,11 10.514,12 8.24,13 7.399,14 5.95,15 0.406,16 2.517,17 5.503,18 6.732,19 6.732,20 11.809,21 12.323,22 0.347,24 4.249,25 4.249,26 10.896,27 5.471,28 1,29 2.013,30 10.511,31 0.38,32 5.321,33 9.989,34 1.809,35 1.809,36 3.549,37 3.632,38 19.112,39 3.7,40 0.002,42 6.038,43 10.521,44 6.34,45 3,46 8.175,47 11.765,48 11.765,49 11.765,50 3.167,51 12.318,52 8.593,53 8.593,54 14.144,55 7.069,56 29.251,57 0.867,58 1,59 5.062,60 7.669,61 8.765,62 9.941,63 15.083,65 17.317,66 19.853,67 5.886}
{0 CHEMBL300138,1 5.407,2 10.559,3 15.159,4 16.329,5 17.523,6 3.407,7 3.407,8 12.829,9 13.964,10 18.711,11 11.617,12 9.28,13 8.402,14 6.927,15 1.668,16 3.126,17 6.452,18 10.363,19 10.363,20 12.812,21 13.309,22 0.225,23 4,24 4.426,25 4.426,26 11.872,27 6.577,28 14,29 2.887,30 11.422,31 0.24,32 5.47,33 10.938,34 1.463,35 1.463,36 4.439,37 4.189,38 20.534,40 0.036,41 26.575,42 6.862,43 11.375,44 7.194,45 16,46 9.073,47 12.678,48 12.678,49 12.678,50 3.943,51 13.184,52 11.457,53 11.457,54 15.023,55 7.904,56 30.239,57 1.2,59 6.389,60 8.535,61 9.607,62 10.775,63 16.059,64 3,65 18.334,66 20.9,67 6.398}
{0 CHEMBL300422,1 5.278,2 10.269,3 14.686,4 15.808,5 16.96,6 3.278,7 3.278,8 12.448,9 13.533,10 18.103,11 11.277,12 9.034,13 8.19,14 6.774,15 1.584,16 2.934,17 6.286,18 9.351,19 9.351,20 12.334,21 12.861,22 0.252,23 3,24 4.281,25 4.281,26 11.438,27 6.228,28 6,29 2.823,30 11.069,31 0.266,32 5.372,33 10.552,34 1.564,35 1.564,36 4.379,37 3.981,38 19.322,40 0.134,41 37.215,42 6.504,43 11.145,44 6.969,45 15,46 8.774,47 11.775,48 11.775,49 11.775,50 3.877,51 12.927,52 10.027,53 10.027,54 14.736,55 7.713,56 29.681,57 1.143,59 6.435,60 8.281,61 9.4,62 10.53,63 15.536,64 3,65 17.696,66 20.201,67 5.367}
{0 CHEMBL300549,1 5.407,2 10.57,3 15.165,4 16.334,5 17.527,6 3.407,7 3.407,8 12.837,9 13.97,10 18.714,11 11.624,12 9.289,13 8.415,14 6.936,15 1.668,16 3.126,17 6.464,18 10.363,19 10.363,20 12.812,21 13.309,22 0.218,23 4,24 4.426,25 4.426,26 11.872,27 6.577,28 15,29 2.888,30 11.422,31 0.232,32 5.465,33 10.938,34 1.418,35 1.418,36 4.446,37 4.189,38 20.534,40 0.053,41 26.586,42 6.862,43 11.375,44 7.194,45 21,46 9.073,47 12.678,48 12.678,49 12.678,50 3.943,51 13.184,52 11.457,53 11.457,54 15.023,55 7.904,56 30.239,57 1.2,59 6.392,60 8.535,61 9.607,62 10.775,63 16.059,64 3,65 18.334,66 20.9,67 6.301}
{0 CHEMBL300936,1 5.319,2 10.013,3 14.542,4 15.702,5 16.883,6 3.319,7 3.319,8 12.241,9 13.366,10 18.062,11 11.063,12 8.798,13 7.911,14 6.554,15 0.813,16 2.708,17 6.017,18 7.558,19 7.558,20 11.843,21 12.401,22 0.274,23 1,24 4.324,25 4.324,26 10.988,27 5.545,28 2,29 2.451,30 10.679,31 0.285,32 5.525,33 10.152,34 1.703,35 1.703,36 4.199,37 3.729,38 18.723,40 -0.073,41 12.401,42 5.711,43 10.848,44 6.706,45 12,46 8.464,47 11.698,48 11.698,49 11.698,50 3.597,51 12.612,52 8.073,53 8.073,54 14.411,55 7.479,56 29.539,57 1.203,59 5.8,60 8.106,61 9.131,62 10.138,63 15.117,64 1,65 17.356,66 19.823,67 4.456}
{0 CHEMBL301860,1 5.407,2 10.543,3 15.157,4 16.33,5 17.523,6 3.407,7 3.407,8 12.822,9 13.964,10 18.711,11 11.615,12 9.277,13 8.367,14 6.923,15 1.779,16 3.126,17 6.387,18 10.363,19 10.363,20 12.767,21 13.26,22 0.225,23 4,24 4.426,25 4.426,26 11.822,27 6.577,28 13,29 2.888,30 11.41,31 0.239,32 5.465,33 10.881,34 1.436,35 1.436,36 4.439,37 4.189,38 20.534,40 0.077,41 26.401,42 6.863,43 11.354,44 7.141,45 16,46 9.003,47 12.678,48 12.678,49 12.678,50 3.944,51 13.176,52 11.457,53 11.457,54 15.024,55 7.849,56 30.252,57 1.2,59 6.315,60 8.501,61 9.572,62 10.711,63 16.061,64 3,65 18.34,66 20.904,67 6.886}
{0 CHEMBL302304,1 5.28,2 10.395,3 14.77,4 15.882,5 17.029,6 3.28,7 3.28,8 12.551,9 13.622,10 18.165,11 11.384,12 9.158,13 8.341,14 6.911,15 2.187,16 2.938,17 6.463,18 9.418,19 9.418,20 12.496,21 13.026,22 0.237,23 4,24 4.285,25 4.285,26 11.605,27 6.253,28 12,29 2.866,30 11.203,31 0.248,32 5.375,33 10.724,34 1.561,35 1.561,36 4.517,37 3.989,38 19.376,40 0.074,41 52.073,42 6.517,43 11.301,44 7.143,45 18,46 8.959,47 11.805,48 11.805,49 11.805,50 3.908,51 13.074,52 10.087,53 10.087,54 14.874,55 7.892,56 29.763,57 1.183,59 6.667,60 8.444,61 9.567,62 10.705,63 15.638,64 4,65 17.781,66 20.279,67 7.301}
{0 CHEMBL302998,1 5.278,2 10.333,3 14.734,4 15.852,5 17,6 3.278,7 3.278,8 12.504,9 13.583,10 18.139,11 11.334,12 9.095,13 8.262,14 6.838,15 1.965,16 2.933,17 6.369,18 9.388,19 9.388,20 12.387,21 12.916,22 0.243,23 4,24 4.281,25 4.281,26 11.495,27 6.244,28 8,29 2.864,30 11.134,31 0.256,32 5.362,33 10.613,34 1.551,35 1.551,36 4.45,37 3.979,38 19.322,40 0.074,41 50.355,42 6.504,43 11.22,44 7.041,45 15,46 8.843,47 11.775,48 11.775,49 11.775,50 3.898,51 13.001,52 10.027,53 10.027,54 14.81,55 7.789,56 29.731,57 1.313,59 6.624,60 8.348,61 9.475,62 10.595,63 15.59,64 4,65 17.74,66 20.24,67 7.222}
{0 CHEMBL303205,1 5.278,2 10.407,3 14.79,4 15.905,5 17.047,6 3.278,7 3.278,8 12.57,9 13.649,10 18.182,11 11.414,12 9.195,13 8.337,14 6.962,15 2.212,16 2.936,17 6.431,18 10.024,19 10.024,20 12.49,21 13.015,22 0.262,23 4,24 4.281,25 4.281,26 11.589,27 6.504,28 14,29 2.882,30 11.347,31 0.277,32 5.394,33 10.708,34 1.682,35 1.682,36 4.604,37 4.123,38 19.322,40 -0.028,41 75.32,42 6.767,43 11.388,44 7.171,45 12,46 8.93,47 11.775,48 11.775,49 11.775,50 3.965,51 13.191,52 11.137,53 11.137,54 15.017,55 7.912,56 30.02,57 1.313,59 6.768,60 8.566,61 9.622,62 10.693,63 15.867,64 6,65 18.07,66 20.556,67 6.081}
{0 CHEMBL304175,1 5.282,2 10.7,3 15.216,4 16.361,5 17.524,6 3.282,7 3.282,8 12.935,9 14.053,10 18.683,11 11.761,12 9.478,13 8.55,14 7.179,15 2.208,16 3.273,17 6.571,18 10.086,19 10.086,20 12.512,21 13.042,22 0.244,23 5,24 4.287,25 4.287,26 11.62,27 6.517,28 17,29 2.939,30 11.396,31 0.255,32 5.378,33 10.742,34 1.606,35 1.606,36 4.748,37 4.281,38 19.376,40 0.031,41 63.693,42 6.996,43 11.461,44 7.228,45 15,46 8.977,47 11.805,48 11.805,49 11.805,50 3.988,51 13.272,52 11.337,53 11.337,54 15.11,55 7.978,56 30.246,57 1.173,59 6.735,60 8.634,61 9.689,62 10.743,63 15.927,64 5,65 18.14,66 20.631,67 8.398}
{0 CHEMBL304549,1 5.278,2 10.333,3 14.734,4 15.852,5 17,6 3.278,7 3.278,8 12.504,9 13.583,10 18.139,11 11.334,12 9.095,13 8.262,14 6.838,15 1.965,16 2.933,17 6.369,18 9.388,19 9.388,20 12.387,21 12.916,22 0.243,23 4,24 4.281,25 4.281,26 11.495,27 6.244,28 8,29 2.864,30 11.134,31 0.256,32 5.362,33 10.613,34 1.551,35 1.551,36 4.45,37 3.979,38 19.322,40 0.074,41 50.355,42 6.504,43 11.22,44 7.041,45 15,46 8.843,47 11.775,48 11.775,49 11.775,50 3.898,51 13.001,52 10.027,53 10.027,54 14.81,55 7.789,56 29.731,57 1.313,59 6.624,60 8.348,61 9.475,62 10.595,63 15.59,64 4,65 17.74,66 20.24,67 7.222}
{0 CHEMBL304626,1 5.28,2 10.336,3 14.744,4 15.864,5 17.012,6 3.28,7 3.28,8 12.511,9 13.595,10 18.152,11 11.347,12 9.109,13 8.256,14 6.852,15 2.042,16 2.937,17 6.348,18 9.418,19 9.418,20 12.404,21 12.931,22 0.259,23 4,24 4.284,25 4.284,26 11.508,27 6.253,28 10,29 2.866,30 11.149,31 0.273,32 5.375,33 10.622,34 1.634,35 1.634,36 4.45,37 3.987,38 19.369,40 0.015,41 50.556,42 6.516,43 11.228,44 7.043,45 12,46 8.844,47 11.803,48 11.803,49 11.803,50 3.908,51 13.013,52 10.08,53 10.08,54 14.823,55 7.789,56 29.751,57 1.142,59 6.548,60 8.359,61 9.48,62 10.599,63 15.611,64 4,65 17.765,66 20.266,67 7.796}
{0 CHEMBL305667,1 5.279,2 10.54,3 15.006,4 16.137,5 17.292,6 3.279,7 3.279,8 12.749,9 13.848,10 18.437,11 11.571,12 9.301,13 8.422,14 7.009,15 2.188,16 3.158,17 6.477,18 10.014,19 10.014,20 12.615,21 13.129,22 0.245,23 4,24 4.283,25 4.283,26 11.701,27 6.502,28 8,29 2.921,30 11.323,31 0.259,32 5.367,33 10.795,34 1.558,35 1.558,36 4.581,37 4.216,38 19.322,40 0.054,41 50.475,42 6.784,43 11.366,44 7.168,45 17,46 8.981,47 11.775,48 11.775,49 11.775,50 3.957,51 13.162,52 11.206,53 11.206,54 14.983,55 7.901,56 29.985,57 1.208,59 6.602,60 8.503,61 9.605,62 10.754,63 15.834,64 4,65 18.017,66 20.53,67 5.347}
{0 CHEMBL305718,1 5.278,2 10.407,3 14.79,4 15.905,5 17.047,6 3.278,7 3.278,8 12.57,9 13.649,10 18.182,11 11.414,12 9.195,13 8.337,14 6.962,15 2.212,16 2.936,17 6.431,18 10.024,19 10.024,20 12.49,21 13.015,22 0.262,23 4,24 4.281,25 4.281,26 11.589,27 6.504,28 14,29 2.882,30 11.347,31 0.277,32 5.394,33 10.708,34 1.682,35 1.682,36 4.604,37 4.123,38 19.322,40 -0.028,41 75.32,42 6.767,43 11.388,44 7.171,45 12,46 8.93,47 11.775,48 11.775,49 11.775,50 3.965,51 13.191,52 11.137,53 11.137,54 15.017,55 7.912,56 30.02,57 1.313,59 6.768,60 8.566,61 9.622,62 10.693,63 15.867,64 6,65 18.07,66 20.556,67 6.097}
{0 CHEMBL306170,1 5.955,2 11.409,3 16.653,4 17.995,5 19.347,6 3.955,7 3.955,8 13.996,9 15.312,10 20.702,11 12.668,12 10.077,13 8.955,14 7.534,15 2.792,16 3.278,17 6.749,18 10.029,19 10.029,20 12.961,21 13.451,22 0.234,23 4,24 4.974,25 4.974,26 12.009,27 6.64,28 8,29 2.926,30 12.084,31 0.245,32 6.059,33 11.067,34 1.523,35 1.523,36 4.939,37 4.281,38 26.666,40 0.13,41 51.329,42 6.99,43 11.837,44 7.442,45 24,46 9.186,47 17.182,48 17.182,49 17.182,50 3.964,51 13.775,52 11.775,53 11.775,54 15.756,55 8.15,56 32.438,57 1.329,59 6.735,60 9.009,61 9.955,62 11.017,63 17.324,64 4,65 20.011,66 22.847,67 6.509}
{0 CHEMBL306373,1 5.278,2 10.323,3 14.727,4 15.846,5 16.995,6 3.278,7 3.278,8 12.496,9 13.578,10 18.134,11 11.329,12 9.091,13 8.25,14 6.836,15 1.965,16 2.932,17 6.353,18 9.388,19 9.388,20 12.387,21 12.916,22 0.249,23 4,24 4.281,25 4.281,26 11.495,27 6.244,28 12,29 2.86,30 11.134,31 0.262,32 5.374,33 10.613,34 1.58,35 1.58,36 4.45,37 3.979,38 19.322,40 0.069,41 50.236,42 6.504,43 11.22,44 7.041,45 12,46 8.843,47 11.775,48 11.775,49 11.775,50 3.896,51 13.001,52 10.027,53 10.027,54 14.81,55 7.789,56 29.731,57 1.142,59 6.63,60 8.348,61 9.475,62 10.595,63 15.59,64 4,65 17.74,66 20.24,67 8}
{0 CHEMBL306427,1 5.278,2 10.392,3 14.795,4 15.913,5 17.059,6 3.278,7 3.278,8 12.566,9 13.648,10 18.196,11 11.401,12 9.164,13 8.312,14 6.909,15 2.063,16 2.952,17 6.402,18 9.674,19 9.674,20 12.453,21 12.978,22 0.249,23 4,24 4.281,25 4.281,26 11.554,27 6.311,28 8,29 2.901,30 11.181,31 0.262,32 5.365,33 10.666,34 1.58,35 1.58,36 4.517,37 4.015,38 19.322,40 0.03,41 50.121,42 6.504,43 11.264,44 7.083,45 13,46 8.883,47 11.775,48 11.775,49 11.775,50 3.938,51 13.046,52 10.034,53 10.034,54 14.852,55 7.827,56 29.759,57 1.181,59 6.598,60 8.398,61 9.518,62 10.632,63 15.631,64 4,65 17.779,66 20.277,67 8.699}
{0 CHEMBL306580,1 5.278,2 10.368,3 14.773,4 15.891,5 17.038,6 3.278,7 3.278,8 12.543,9 13.626,10 18.175,11 11.379,12 9.142,13 8.288,14 6.887,15 2.063,16 2.943,17 6.379,18 9.618,19 9.618,20 12.431,21 12.956,22 0.253,23 4,24 4.281,25 4.281,26 11.532,27 6.299,28 8,29 2.89,30 11.166,31 0.267,32 5.365,33 10.645,34 1.592,35 1.592,36 4.504,37 4.005,38 19.322,40 -0.007,41 49.845,42 6.504,43 11.25,44 7.067,45 13,46 8.864,47 11.775,48 11.775,49 11.775,50 3.932,51 13.032,52 10.032,53 10.032,54 14.839,55 7.812,56 29.752,57 1.148,59 6.651,60 8.384,61 9.503,62 10.617,63 15.62,64 4,65 17.768,66 20.268,67 8.523}
{0 CHEMBL306623,1 5.278,2 10.47,3 14.866,4 15.981,5 17.123,6 3.278,7 3.278,8 12.642,9 13.724,10 18.257,11 11.486,12 9.258,13 8.385,14 7.014,15 2.174,16 2.984,17 6.461,18 10.026,19 10.026,20 12.552,21 13.074,22 0.262,23 4,24 4.282,25 4.282,26 11.648,27 6.504,28 12,29 2.917,30 11.418,31 0.277,32 5.366,33 10.756,34 1.682,35 1.682,36 4.645,37 4.236,38 19.335,40 0.034,41 74.791,42 6.99,43 11.454,44 7.21,45 13,46 8.964,47 11.788,48 11.788,49 11.788,50 3.968,51 13.272,52 11.774,53 11.774,54 15.116,55 7.95,56 30.303,57 1.182,59 6.652,60 8.626,61 9.673,62 10.732,63 15.982,64 6,65 18.213,66 20.721,67 7.208}
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{0 CHEMBL307708,1 5.278,2 10.393,3 14.797,4 15.914,5 17.06,6 3.278,7 3.278,8 12.568,9 13.65,10 18.197,11 11.403,12 9.166,13 8.314,14 6.91,15 2.063,16 2.953,17 6.404,18 9.674,19 9.674,20 12.453,21 12.978,22 0.255,23 4,24 4.281,25 4.281,26 11.554,27 6.311,28 8,29 2.902,30 11.181,31 0.268,32 5.365,33 10.666,34 1.62,35 1.62,36 4.517,37 4.015,38 19.322,40 0.054,41 50.203,42 6.504,43 11.264,44 7.083,45 13,46 8.883,47 11.775,48 11.775,49 11.775,50 3.938,51 13.046,52 10.034,53 10.034,54 14.852,55 7.827,56 29.759,57 1.181,59 6.597,60 8.398,61 9.518,62 10.632,63 15.631,64 4,65 17.779,66 20.277,67 8.523}
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{0 CHEMBL309034,1 5.278,2 10.368,3 14.773,4 15.891,5 17.038,6 3.278,7 3.278,8 12.543,9 13.626,10 18.175,11 11.379,12 9.142,13 8.288,14 6.887,15 2.063,16 2.943,17 6.379,18 9.618,19 9.618,20 12.431,21 12.956,22 0.253,23 4,24 4.281,25 4.281,26 11.532,27 6.299,28 8,29 2.89,30 11.166,31 0.267,32 5.365,33 10.645,34 1.592,35 1.592,36 4.504,37 4.005,38 19.322,40 -0.007,41 49.845,42 6.504,43 11.25,44 7.067,45 13,46 8.864,47 11.775,48 11.775,49 11.775,50 3.932,51 13.032,52 10.032,53 10.032,54 14.839,55 7.812,56 29.752,57 1.148,59 6.651,60 8.384,61 9.503,62 10.617,63 15.62,64 4,65 17.768,66 20.268,67 8.398}
{0 CHEMBL309078,1 5.955,2 11.409,3 16.653,4 17.995,5 19.347,6 3.955,7 3.955,8 13.996,9 15.312,10 20.702,11 12.668,12 10.077,13 8.955,14 7.534,15 2.792,16 3.278,17 6.749,18 10.029,19 10.029,20 12.961,21 13.451,22 0.234,23 4,24 4.974,25 4.974,26 12.009,27 6.64,28 8,29 2.926,30 12.084,31 0.245,32 6.059,33 11.067,34 1.523,35 1.523,36 4.939,37 4.281,38 26.666,40 0.13,41 51.329,42 6.99,43 11.837,44 7.442,45 24,46 9.186,47 17.182,48 17.182,49 17.182,50 3.964,51 13.775,52 11.775,53 11.775,54 15.756,55 8.15,56 32.438,57 1.329,59 6.735,60 9.009,61 9.955,62 11.017,63 17.324,64 4,65 20.011,66 22.847,67 6.509}
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{0 CHEMBL311543,1 5.405,2 10.469,3 15.105,4 16.282,5 17.478,6 3.405,7 3.405,8 12.76,9 13.907,10 18.67,11 11.545,12 9.192,13 8.286,14 6.819,15 1.723,16 3.111,17 6.312,18 10.243,19 10.243,20 12.706,21 13.2,22 0.241,23 4,24 4.422,25 4.422,26 11.762,27 6.535,28 13,29 2.866,30 11.322,31 0.257,32 5.51,33 10.822,34 1.518,35 1.518,36 4.308,37 4.167,38 20.497,40 0.031,41 26.299,42 6.82,43 11.254,44 7.064,45 14,46 8.947,47 12.66,48 12.66,49 12.66,50 3.918,51 13.071,52 11.317,53 11.317,54 14.917,55 7.769,56 30.165,57 1.204,59 6.457,60 8.411,61 9.479,62 10.62,63 15.98,64 3,65 18.266,66 20.833,67 7.509}
{0 CHEMBL312067,1 5.278,2 10.464,3 14.867,4 15.984,5 17.128,6 3.278,7 3.278,8 12.639,9 13.722,10 18.263,11 11.476,12 9.24,13 8.38,14 6.983,15 2.143,16 3.002,17 6.462,18 9.859,19 9.859,20 12.507,21 13.031,22 0.254,23 5,24 4.282,25 4.282,26 11.607,27 6.376,28 10,29 2.918,30 11.238,31 0.268,32 5.365,33 10.716,34 1.629,35 1.629,36 4.586,37 4.054,38 19.322,40 0.041,41 62.729,42 6.505,43 11.325,44 7.135,45 13,46 8.931,47 11.775,48 11.775,49 11.775,50 3.95,51 13.109,52 10.047,53 10.047,54 14.917,55 7.88,56 29.811,57 1.18,59 6.658,60 8.455,61 9.575,62 10.68,63 15.684,64 5,65 17.826,66 20.321,67 6.886}
{0 CHEMBL315357,1 5.405,2 10.497,3 15.114,4 16.288,5 17.484,6 3.405,7 3.405,8 12.776,9 13.917,10 18.674,11 11.563,12 9.219,13 8.333,14 6.859,15 1.675,16 3.111,17 6.385,18 10.243,19 10.243,20 12.768,21 13.266,22 0.236,23 4,24 4.422,25 4.422,26 11.83,27 6.535,28 16,29 2.866,30 11.366,31 0.25,32 5.525,33 10.897,34 1.523,35 1.523,36 4.365,37 4.167,38 20.497,40 0.046,41 26.539,42 6.82,43 11.319,44 7.149,45 14,46 9.036,47 12.66,48 12.66,49 12.66,50 3.918,51 13.125,52 11.317,53 11.317,54 14.962,55 7.859,56 30.174,57 1.212,59 6.549,60 8.483,61 9.556,62 10.714,63 16.001,64 3,65 18.278,66 20.842,67 5.77}
{0 CHEMBL315389,1 5.405,2 10.681,3 15.279,4 16.445,5 17.631,6 3.405,7 3.405,8 12.955,9 14.091,10 18.812,11 11.751,12 9.418,13 8.508,14 7.065,15 2.161,16 3.111,17 6.529,18 11.317,19 11.317,20 12.849,21 13.348,22 0.25,23 4,24 4.422,25 4.422,26 11.913,27 6.82,28 15,29 3.063,30 11.617,31 0.268,32 5.517,33 10.984,34 1.64,35 1.64,36 4.576,37 4.291,38 20.497,40 0.019,41 52.504,42 7.187,43 11.533,44 7.295,45 18,46 9.129,47 12.66,48 12.66,49 12.66,50 4.167,51 13.376,52 12.405,53 12.405,54 15.249,55 8.006,56 30.695,57 1.205,59 6.637,60 8.724,61 9.735,62 10.834,63 16.345,64 5,65 18.683,66 21.245,67 5.721}
{0 CHEMBL316239,1 5.405,2 10.467,3 15.104,4 16.281,5 17.478,6 3.405,7 3.405,8 12.758,9 13.906,10 18.67,11 11.544,12 9.191,13 8.282,14 6.819,15 1.723,16 3.111,17 6.304,18 10.243,19 10.243,20 12.699,21 13.193,22 0.246,23 4,24 4.422,25 4.422,26 11.754,27 6.535,28 13,29 2.866,30 11.318,31 0.263,32 5.508,33 10.813,34 1.535,35 1.535,36 4.308,37 4.167,38 20.497,40 0.029,41 26.212,42 6.82,43 11.25,44 7.055,45 14,46 8.936,47 12.66,48 12.66,49 12.66,50 3.918,51 13.068,52 11.317,53 11.317,54 14.915,55 7.76,56 30.165,57 1.203,59 6.44,60 8.405,61 9.474,62 10.612,63 15.978,64 3,65 18.265,66 20.833,67 6.62}
{0 CHEMBL318971,1 5.081,2 9.563,3 13.795,4 14.865,5 15.976,6 3.081,7 3.081,8 11.648,9 12.674,10 17.068,11 10.495,12 8.322,13 7.588,14 6.128,15 1.292,16 2.756,17 5.803,18 7.249,19 7.249,20 11.827,21 12.361,22 0.203,23 1,24 4.169,25 4.169,26 10.937,27 5.491,28 3,29 2.303,30 10.533,31 0.206,32 5.259,33 10.069,34 1.265,35 1.265,36 3.801,37 3.772,38 18.655,40 -0.036,41 12.576,42 6.211,43 10.631,44 6.497,45 17,46 8.326,47 11.194,48 11.194,49 11.194,50 3.387,51 12.398,52 9.113,53 9.113,54 14.196,55 7.256,56 29.103,57 1.347,59 6.075,60 7.771,61 8.91,62 10.024,63 14.966,64 1,65 17.099,66 19.592,67 5}
{0 CHEMBL31965,1 5.039,2 9.561,3 13.656,4 14.692,5 15.785,6 3.039,7 3.039,8 11.573,9 12.553,10 16.851,11 10.432,12 8.322,13 7.661,14 6.191,15 0.847,16 2.628,17 5.935,18 8.306,19 8.306,20 12.077,21 12.615,22 0.287,23 1,24 4.109,25 4.109,26 11.197,27 5.947,28 5,29 2.514,30 10.626,31 0.301,32 5.212,33 10.325,34 1.772,35 1.772,36 3.918,37 3.767,38 17.491,39 3.4,40 0.107,41 12.051,42 6.08,43 10.813,44 6.732,45 3,46 8.584,47 10.55,48 10.55,49 10.55,50 3.624,51 12.54,52 8.858,53 8.858,54 14.293,55 7.495,56 28.775,57 1.193,58 2,59 6.05,60 7.986,61 9.125,62 10.342,63 14.865,64 2,65 16.873,66 19.301,67 5}
{0 CHEMBL328229,1 5.405,2 10.522,3 15.123,4 16.294,5 17.489,6 3.405,7 3.405,8 12.791,9 13.926,10 18.677,11 11.576,12 9.238,13 8.372,14 6.882,15 1.814,16 3.111,17 6.434,18 10.243,19 10.243,20 12.766,21 13.266,22 0.225,23 4,24 4.422,25 4.422,26 11.83,27 6.535,28 16,29 2.866,30 11.364,31 0.239,32 5.514,33 10.9,34 1.466,35 1.466,36 4.386,37 4.167,38 20.497,40 0.04,41 26.58,42 6.82,43 11.324,44 7.16,45 20,46 9.047,47 12.66,48 12.66,49 12.66,50 3.918,51 13.128,52 11.317,53 11.317,54 14.963,55 7.874,56 30.172,57 1.205,59 6.544,60 8.49,61 9.566,62 10.722,63 15.996,64 3,65 18.274,66 20.839,67 5.602}
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{0 CHEMBL367127,1 5.279,2 10.538,3 14.993,4 16.12,5 17.274,6 3.279,7 3.279,8 12.74,9 13.835,10 18.417,11 11.562,12 9.294,13 8.43,14 7.004,15 2.257,16 3.143,17 6.497,18 10.017,19 10.017,20 12.608,21 13.125,22 0.242,23 4,24 4.282,25 4.282,26 11.699,27 6.503,28 11,29 2.923,30 11.325,31 0.257,32 5.365,33 10.799,34 1.548,35 1.548,36 4.581,37 4.191,38 19.322,40 0.067,41 50.75,42 6.765,43 11.371,44 7.18,45 20,46 8.995,47 11.775,48 11.775,49 11.775,50 3.958,51 13.165,52 11.14,53 11.14,54 14.984,55 7.915,56 29.977,57 1.153,59 6.617,60 8.507,61 9.615,62 10.753,63 15.829,64 4,65 18.009,66 20.518,67 7.301}
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{0 CHEMBL377734,1 4.996,2 9.46,3 13.512,4 14.535,5 15.61,6 2.996,7 2.996,8 11.455,9 12.428,10 16.661,11 10.34,12 8.263,13 7.561,14 6.167,15 0.799,16 2.615,17 5.816,18 8.075,19 8.075,20 11.889,21 12.434,22 0.317,23 1,24 4.053,25 4.053,26 11.018,27 5.715,28 2,29 2.46,30 10.453,31 0.337,32 5.184,33 10.158,34 1.852,35 1.852,36 3.935,37 3.693,38 16.846,39 4.4,40 -0.147,41 12.107,42 5.93,43 10.678,44 6.592,45 2,46 8.431,47 10.026,48 10.026,49 10.026,50 3.649,51 12.398,52 8.259,53 8.259,54 14.141,55 7.358,56 28.486,57 0.945,58 2,59 5.872,60 7.882,61 8.991,62 10.143,63 14.612,64 1,65 16.557,66 18.939,67 4.398}
{0 CHEMBL378627,1 5.01,2 9.755,3 13.931,4 14.983,5 16.066,6 3.01,7 3.01,8 11.821,9 12.842,10 17.133,11 10.711,12 8.587,13 7.771,14 6.451,15 1.84,16 2.921,17 5.941,18 9.202,19 9.202,20 12.08,21 12.609,22 0.294,23 1,24 4.278,25 4.278,26 11.181,27 6.183,28 3,29 2.676,30 11.014,31 0.308,32 5.344,33 10.312,34 1.782,35 1.782,36 4.204,37 4.012,38 19.808,40 -0.073,41 36.575,42 6.486,43 11.044,44 6.81,45 4,46 8.546,47 12.298,48 12.298,49 12.298,50 3.801,51 12.86,52 10.099,53 10.099,54 14.706,55 7.552,56 30.004,57 1.063,59 6.295,60 8.241,61 9.267,62 10.333,63 15.604,64 3,65 17.873,66 20.397,67 5.081}
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{0 CHEMBL384304,1 5.193,2 10.119,3 14.546,4 15.665,5 16.804,6 3.193,7 3.193,8 12.311,9 13.404,10 17.936,11 11.154,12 8.91,13 8.011,14 6.65,15 1.347,16 3.08,17 6.069,18 9.202,19 9.202,20 12.121,21 12.65,22 0.331,23 1,24 4.249,25 4.249,26 11.226,27 6.261,28 2,29 2.703,30 11.074,31 0.347,32 5.318,33 10.349,34 1.968,35 1.968,36 4.27,37 4.226,38 19.141,39 3.9,40 -0.027,41 35.878,42 6.92,43 11.108,44 6.849,45 3,46 8.581,47 11.657,48 11.657,49 11.657,50 3.809,51 12.935,52 11.501,53 11.501,54 14.788,55 7.593,56 30.054,57 1.07,58 2,59 6.221,60 8.296,61 9.32,62 10.395,63 15.667,64 3,65 17.92,66 20.427,67 5}
{0 CHEMBL386051,1 5.179,2 9.803,3 14.135,4 15.234,5 16.372,6 3.179,7 3.179,8 11.937,9 12.992,10 17.494,11 10.767,12 8.555,13 7.78,14 6.329,15 1.222,16 2.743,17 5.941,18 8.007,19 8.007,20 12.218,21 12.736,22 0.306,23 2,24 4.258,25 4.258,26 11.31,27 5.799,28 9,29 2.573,30 10.892,31 0.327,32 5.334,33 10.412,34 1.798,35 1.798,36 3.979,37 3.892,38 19.318,39 4.4,40 0.168,41 13.003,42 6.527,43 10.952,44 6.783,45 14,46 8.612,47 11.619,48 11.619,49 11.619,50 3.67,51 12.734,52 10.134,53 10.134,54 14.542,55 7.52,56 29.498,57 1.091,58 2,59 5.833,60 8.09,61 9.207,62 10.418,63 15.363,64 2,65 17.514,66 20.034,67 5}
{0 CHEMBL399981,1 5.248,2 9.969,3 14.442,4 15.576,5 16.733,6 3.248,7 3.248,8 12.178,9 13.282,10 17.883,11 11,12 8.728,13 7.865,14 6.439,15 1.692,16 2.936,17 5.96,18 8.011,19 8.011,20 12.236,21 12.742,22 0.223,23 1,24 4.316,25 4.316,26 11.309,27 5.888,28 4,29 2.45,30 10.939,31 0.229,32 5.373,33 10.393,34 1.369,35 1.369,36 4.022,37 3.992,38 19.839,40 -0.056,41 12.934,42 6.66,43 10.915,44 6.718,45 8,46 8.559,47 12.134,48 12.134,49 12.134,50 3.513,51 12.725,52 10.538,53 10.538,54 14.563,55 7.441,56 29.733,57 1.295,59 6.219,60 8.048,61 9.146,62 10.251,63 15.543,64 1,65 17.788,66 20.334,67 9.469}
{0 CHEMBL401369,1 5.241,2 9.966,3 14.428,4 15.56,5 16.716,6 3.241,7 3.241,8 12.17,9 13.269,10 17.863,11 10.992,12 8.723,13 7.87,14 6.439,15 1.351,16 2.945,17 5.975,18 8.018,19 8.018,20 12.219,21 12.729,22 0.218,23 1,24 4.309,25 4.309,26 11.298,27 5.889,28 4,29 2.425,30 10.933,31 0.224,32 5.36,33 10.386,34 1.354,35 1.354,36 4.022,37 4.001,38 19.828,40 -0.074,41 13.023,42 6.662,43 10.919,44 6.725,45 9,46 8.564,47 12.12,48 12.12,49 12.12,50 3.491,51 12.726,52 10.548,53 10.548,54 14.562,55 7.453,56 29.727,57 1.349,59 6.274,60 8.052,61 9.153,62 10.256,63 15.534,64 1,65 17.781,66 20.325,67 7.602}
{0 CHEMBL402818,1 5.118,2 10.048,3 14.352,4 15.437,5 16.555,6 3.118,7 3.118,8 12.175,9 13.225,10 17.657,11 11.019,12 8.813,13 8.012,14 6.576,15 1.084,16 3.023,17 6.144,18 9.194,19 9.194,20 12.383,21 12.899,22 0.235,24 4.191,25 4.191,26 11.472,27 6.174,28 9,29 2.77,30 10.983,31 0.252,32 5.326,33 10.566,34 1.457,35 1.457,36 4.183,37 4.078,38 18.397,40 -0.024,42 6.617,43 11.051,44 6.903,45 15,46 8.754,47 11.116,48 11.116,49 11.116,50 3.811,51 12.826,52 10.481,53 10.481,54 14.626,55 7.634,56 29.442,57 1.208,59 5.857,60 8.209,61 9.314,62 10.49,63 15.4,65 17.516,66 19.991,67 7.208}
{0 CHEMBL417051,1 5.278,2 10.375,3 14.779,4 15.897,5 17.044,6 3.278,7 3.278,8 12.55,9 13.632,10 18.181,11 11.385,12 9.148,13 8.294,14 6.894,15 2.063,16 2.945,17 6.384,18 9.618,19 9.618,20 12.431,21 12.956,22 0.259,23 4,24 4.281,25 4.281,26 11.532,27 6.299,28 8,29 2.893,30 11.166,31 0.273,32 5.365,33 10.645,34 1.634,35 1.634,36 4.511,37 4.006,38 19.322,40 0.013,41 49.949,42 6.504,43 11.25,44 7.067,45 13,46 8.864,47 11.775,48 11.775,49 11.775,50 3.933,51 13.032,52 10.032,53 10.032,54 14.839,55 7.812,56 29.752,57 1.164,59 6.611,60 8.384,61 9.503,62 10.617,63 15.62,64 4,65 17.768,66 20.268,67 8.699}
{0 CHEMBL419866,1 5.405,2 10.501,3 15.116,4 16.29,5 17.485,6 3.405,7 3.405,8 12.779,9 13.92,10 18.675,11 11.567,12 9.226,13 8.338,14 6.868,15 1.717,16 3.111,17 6.388,18 10.243,19 10.243,20 12.766,21 13.263,22 0.231,23 4,24 4.422,25 4.422,26 11.827,27 6.535,28 18,29 2.866,30 11.365,31 0.244,32 5.519,33 10.892,34 1.481,35 1.481,36 4.365,37 4.167,38 20.497,40 0.049,41 26.505,42 6.82,43 11.316,44 7.143,45 14,46 9.029,47 12.66,48 12.66,49 12.66,50 3.918,51 13.124,52 11.317,53 11.317,54 14.961,55 7.851,56 30.174,57 1.211,59 6.518,60 8.479,61 9.551,62 10.691,63 16,64 3,65 18.278,66 20.842,67 6.456}
{0 CHEMBL421790,1 5.278,2 10.209,3 14.629,4 15.754,5 16.909,6 3.278,7 3.278,8 12.387,9 13.473,10 18.055,11 11.216,12 8.977,13 8.134,14 6.73,15 1.757,16 2.925,17 6.237,18 8.54,19 8.54,20 12.233,21 12.764,22 0.25,23 3,24 4.281,25 4.281,26 11.343,27 6.019,28 6,29 2.712,30 11.007,31 0.262,32 5.34,33 10.464,34 1.556,35 1.556,36 4.366,37 3.963,38 19.32,40 0.167,41 37.006,42 6.503,43 11.104,44 6.919,45 14,46 8.702,47 11.775,48 11.775,49 11.775,50 3.773,51 12.885,52 10.016,53 10.016,54 14.692,55 7.673,56 29.634,57 1.142,59 6.452,60 8.23,61 9.36,62 10.476,63 15.47,64 3,65 17.633,66 20.141,67 5.854}
{0 CHEMBL421866,1 5.278,2 10.393,3 14.797,4 15.914,5 17.06,6 3.278,7 3.278,8 12.568,9 13.65,10 18.197,11 11.403,12 9.166,13 8.314,14 6.91,15 2.063,16 2.953,17 6.404,18 9.674,19 9.674,20 12.453,21 12.978,22 0.255,23 4,24 4.281,25 4.281,26 11.554,27 6.311,28 8,29 2.902,30 11.181,31 0.268,32 5.365,33 10.666,34 1.62,35 1.62,36 4.517,37 4.015,38 19.322,40 0.054,41 50.203,42 6.504,43 11.264,44 7.083,45 13,46 8.883,47 11.775,48 11.775,49 11.775,50 3.938,51 13.046,52 10.034,53 10.034,54 14.852,55 7.827,56 29.759,57 1.181,59 6.597,60 8.398,61 9.518,62 10.632,63 15.631,64 4,65 17.779,66 20.277,67 8.523}
{0 CHEMBL422056,1 5.278,2 10.328,3 14.735,4 15.854,5 17.002,6 3.278,7 3.278,8 12.503,9 13.587,10 18.142,11 11.338,12 9.102,13 8.248,14 6.845,15 1.903,16 2.933,17 6.339,18 9.415,19 9.415,20 12.382,21 12.909,22 0.264,23 4,24 4.281,25 4.281,26 11.487,27 6.253,28 8,29 2.866,30 11.131,31 0.279,32 5.372,33 10.601,34 1.648,35 1.648,36 4.45,37 3.983,38 19.322,40 0.033,41 49.712,42 6.504,43 11.213,44 7.027,45 12,46 8.825,47 11.775,48 11.775,49 11.775,50 3.905,51 12.998,52 10.027,53 10.027,54 14.808,55 7.773,56 29.734,57 1.14,59 6.514,60 8.344,61 9.465,62 10.582,63 15.591,64 4,65 17.743,66 20.242,67 8.398}
{0 CHEMBL427118,1 5.278,2 10.337,3 14.743,4 15.862,5 17.01,6 3.278,7 3.278,8 12.512,9 13.595,10 18.149,11 11.346,12 9.108,13 8.257,14 6.849,15 1.903,16 2.935,17 6.348,18 9.415,19 9.415,20 12.382,21 12.909,22 0.251,23 4,24 4.281,25 4.281,26 11.487,27 6.253,28 8,29 2.871,30 11.131,31 0.266,32 5.364,33 10.601,34 1.576,35 1.576,36 4.45,37 3.984,38 19.322,40 0.028,41 49.781,42 6.504,43 11.213,44 7.027,45 13,46 8.825,47 11.775,48 11.775,49 11.775,50 3.908,51 12.998,52 10.027,53 10.027,54 14.808,55 7.773,56 29.734,57 1.178,59 6.527,60 8.344,61 9.465,62 10.582,63 15.591,64 4,65 17.743,66 20.242,67 9.222}
{0 CHEMBL428690,1 5.274,2 10.077,3 14.544,4 15.677,5 16.838,6 3.274,7 3.274,8 12.283,9 13.381,10 17.99,11 11.099,12 8.828,13 7.973,14 6.541,15 1.465,16 2.89,17 6.053,18 9.659,19 9.659,20 12.357,21 12.861,22 0.275,23 2,24 4.331,25 4.331,26 11.427,27 6.393,28 1,29 2.725,30 11.052,31 0.29,32 5.432,33 10.511,34 1.621,35 1.621,36 4.143,37 3.955,38 19.814,39 2.1,40 -0.115,41 12.769,42 6.511,43 11.045,44 6.843,45 12,46 8.672,47 12.191,48 12.191,49 12.191,50 3.805,51 12.851,52 10.125,53 10.125,54 14.684,55 7.565,56 29.796,57 1.128,58 1,59 6.187,60 8.171,61 9.276,62 10.486,63 15.627,64 2,65 17.847,66 20.393,67 4.347}
{0 CHEMBL431568,1 5.281,2 10.357,3 14.758,4 15.877,5 17.024,6 3.281,7 3.281,8 12.528,9 13.61,10 18.163,11 11.364,12 9.131,13 8.284,14 6.882,15 2.097,16 2.94,17 6.387,18 9.419,19 9.419,20 12.437,21 12.964,22 0.24,23 4,24 4.285,25 4.285,26 11.541,27 6.253,28 12,29 2.872,30 11.171,31 0.251,32 5.369,33 10.656,34 1.539,35 1.539,36 4.504,37 3.991,38 19.385,40 -0.037,41 51.334,42 6.519,43 11.257,44 7.081,45 14,46 8.881,47 11.808,48 11.808,49 11.808,50 3.912,51 13.037,52 10.094,53 10.094,54 14.843,55 7.828,56 29.757,57 1.178,59 6.593,60 8.39,61 9.514,62 10.629,63 15.624,64 4,65 17.772,66 20.275,67 6.585}
{0 CHEMBL431955,1 5.278,2 10.392,3 14.795,4 15.913,5 17.059,6 3.278,7 3.278,8 12.566,9 13.648,10 18.196,11 11.401,12 9.164,13 8.312,14 6.909,15 2.063,16 2.952,17 6.402,18 9.674,19 9.674,20 12.453,21 12.978,22 0.249,23 4,24 4.281,25 4.281,26 11.554,27 6.311,28 8,29 2.901,30 11.181,31 0.262,32 5.365,33 10.666,34 1.58,35 1.58,36 4.517,37 4.015,38 19.322,40 0.03,41 50.121,42 6.504,43 11.264,44 7.083,45 13,46 8.883,47 11.775,48 11.775,49 11.775,50 3.938,51 13.046,52 10.034,53 10.034,54 14.852,55 7.827,56 29.759,57 1.181,59 6.598,60 8.398,61 9.518,62 10.632,63 15.631,64 4,65 17.779,66 20.277,67 7.699}
{0 CHEMBL432130,1 5.405,2 10.478,3 15.108,4 16.284,5 17.48,6 3.405,7 3.405,8 12.765,9 13.911,10 18.671,11 11.553,12 9.205,13 8.302,14 6.845,15 1.779,16 3.111,17 6.336,18 10.243,19 10.243,20 12.721,21 13.215,22 0.237,23 4,24 4.422,25 4.422,26 11.777,27 6.535,28 16,29 2.866,30 11.336,31 0.251,32 5.512,33 10.84,34 1.502,35 1.502,36 4.365,37 4.167,38 20.497,40 0.022,41 26.371,42 6.82,43 11.278,44 7.093,45 14,46 8.969,47 12.66,48 12.66,49 12.66,50 3.918,51 13.091,52 11.317,53 11.317,54 14.933,55 7.8,56 30.167,57 1.204,59 6.486,60 8.435,61 9.508,62 10.641,63 15.986,64 3,65 18.269,66 20.836,67 7.284}
{0 CHEMBL432168,1 5.278,2 10.375,3 14.779,4 15.897,5 17.044,6 3.278,7 3.278,8 12.55,9 13.632,10 18.181,11 11.385,12 9.148,13 8.294,14 6.894,15 2.063,16 2.945,17 6.384,18 9.618,19 9.618,20 12.431,21 12.956,22 0.259,23 4,24 4.281,25 4.281,26 11.532,27 6.299,28 8,29 2.893,30 11.166,31 0.273,32 5.365,33 10.645,34 1.634,35 1.634,36 4.511,37 4.006,38 19.322,40 0.013,41 49.949,42 6.504,43 11.25,44 7.067,45 13,46 8.864,47 11.775,48 11.775,49 11.775,50 3.933,51 13.032,52 10.032,53 10.032,54 14.839,55 7.812,56 29.752,57 1.164,59 6.611,60 8.384,61 9.503,62 10.617,63 15.62,64 4,65 17.768,66 20.268,67 8.523}
{0 CHEMBL433101,1 5.29,2 10.617,3 15.162,4 16.313,5 17.483,6 3.29,7 3.29,8 12.867,9 13.991,10 18.647,11 11.682,12 9.38,13 8.456,14 7.062,15 2.187,16 3.268,17 6.472,18 10.012,19 10.012,20 12.502,21 13.025,22 0.25,23 4,24 4.409,25 4.409,26 11.599,27 6.502,28 8,29 2.917,30 11.468,31 0.263,32 5.494,33 10.709,34 1.606,35 1.606,36 4.617,37 4.279,38 20.864,40 0.078,41 50.724,42 6.99,43 11.423,44 7.162,45 13,46 8.92,47 13.289,48 13.289,49 13.289,50 3.952,51 13.263,52 11.775,53 11.775,54 15.134,55 7.898,56 30.649,57 1.156,59 6.697,60 8.589,61 9.627,62 10.698,63 16.209,64 4,65 18.577,66 21.158,67 7.699}
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{0 CHEMBL441897,1 5.352,2 10.217,3 14.802,4 15.967,5 17.151,6 3.352,7 3.352,8 12.483,9 13.62,10 18.331,11 11.292,12 8.979,13 8.05,14 6.658,15 1.737,16 2.984,17 6.069,18 9.092,19 9.092,20 12.48,21 12.969,22 0.257,23 1,24 4.413,25 4.413,26 11.527,27 6.228,28 4,29 2.62,30 11.15,31 0.27,32 5.47,33 10.583,34 1.518,35 1.518,36 4.215,37 4.05,38 20.448,40 -0.125,41 12.84,42 6.742,43 11.083,44 6.851,45 6,46 8.693,47 12.678,48 12.678,49 12.678,50 3.64,51 12.91,52 10.821,53 10.821,54 14.762,55 7.555,56 30.032,57 1.264,59 6.05,60 8.214,61 9.292,62 10.406,63 15.816,64 1,65 18.103,66 20.678,67 6.652}
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{0 CHEMBL445813,1 4.991,2 9.498,3 13.668,4 14.713,5 15.798,6 2.991,7 2.991,8 11.561,9 12.568,10 16.861,11 10.424,12 8.268,13 7.522,14 6.069,15 0.802,16 2.853,17 5.713,18 7.218,19 7.218,20 11.765,21 12.307,22 0.324,23 2,24 4.079,25 4.079,26 10.887,27 5.445,28 4,29 2.428,30 10.508,31 0.342,32 5.122,33 10.028,34 1.842,35 1.842,36 3.713,37 3.945,38 17.556,39 4.8,40 -0.29,41 24.886,42 6.457,43 10.623,44 6.482,45 8,46 8.295,47 10.64,48 10.64,49 10.64,50 3.486,51 12.39,52 9.962,53 9.962,54 14.187,55 7.236,56 29.013,57 1.072,58 2,59 5.752,60 7.777,61 8.898,62 10.025,63 14.902,64 2,65 17.016,66 19.464,67 5}
{0 CHEMBL45053,1 5.794,2 11.166,3 16.262,4 17.567,5 18.882,6 3.818,7 3.818,8 13.678,9 14.957,10 20.2,11 12.386,12 9.868,13 8.791,14 7.409,15 3.111,16 3.261,17 6.676,18 9.751,19 9.751,20 12.641,21 13.161,22 0.193,23 4,24 4.842,25 4.842,26 11.731,27 6.533,28 23,29 2.795,30 11.873,31 0.196,32 5.925,33 10.838,34 1.349,35 1.349,36 4.912,37 4.3,38 25.624,40 0.038,41 39.091,42 7.116,43 11.697,44 7.351,45 17,46 9.055,47 16.433,48 16.433,49 16.433,50 3.85,51 13.612,52 11.688,53 11.688,54 15.578,55 8.091,56 32.165,57 1.383,59 7.252,60 8.92,61 9.849,62 10.831,63 17.048,64 5,65 19.703,66 22.496,67 7.154}
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{0 CHEMBL46053,1 5.799,2 11.003,3 16.137,4 17.456,5 18.784,6 3.818,7 3.818,8 13.528,9 14.818,10 20.115,11 12.219,12 9.686,13 8.651,14 7.231,15 2.958,16 2.795,17 6.599,18 8.573,19 8.573,20 12.642,21 13.162,22 0.197,23 4,24 4.842,25 4.842,26 11.732,27 6.003,28 23,29 2.655,30 11.763,31 0.2,32 5.942,33 10.839,34 1.364,35 1.364,36 4.759,37 3.851,38 25.624,40 0.016,41 39.106,42 6.533,43 11.595,44 7.299,45 16,46 9.055,47 16.433,48 16.433,49 16.433,50 3.764,51 13.491,52 9.751,53 9.751,54 15.447,55 8.039,56 32.101,57 1.385,59 7.217,60 8.799,61 9.771,62 10.818,63 16.952,64 5,65 19.626,66 22.437,67 6.301}
{0 CHEMBL46252,1 5.799,2 11.003,3 16.137,4 17.456,5 18.784,6 3.818,7 3.818,8 13.528,9 14.818,10 20.115,11 12.219,12 9.686,13 8.651,14 7.231,15 2.958,16 2.795,17 6.599,18 8.573,19 8.573,20 12.642,21 13.162,22 0.197,23 4,24 4.842,25 4.842,26 11.732,27 6.003,28 23,29 2.655,30 11.763,31 0.2,32 5.942,33 10.839,34 1.364,35 1.364,36 4.759,37 3.851,38 25.624,40 0.016,41 39.106,42 6.533,43 11.595,44 7.299,45 16,46 9.055,47 16.433,48 16.433,49 16.433,50 3.764,51 13.491,52 9.751,53 9.751,54 15.447,55 8.039,56 32.101,57 1.385,59 7.217,60 8.799,61 9.771,62 10.818,63 16.952,64 5,65 19.626,66 22.437,67 7.629}
{0 CHEMBL464552,1 5.084,2 10.199,3 14.5,4 15.585,5 16.697,6 3.084,7 3.084,8 12.327,9 13.38,10 17.796,11 11.181,12 8.982,13 8.162,14 6.756,15 1.466,16 3.064,17 6.299,18 10.317,19 10.317,20 12.55,21 13.065,22 0.266,23 2,24 4.167,25 4.167,26 11.637,27 6.535,28 5,29 2.926,30 11.197,31 0.28,32 5.247,33 10.736,34 1.705,35 1.705,36 4.382,37 4.125,38 18.074,39 1.5,40 -0.22,41 25.216,42 6.721,43 11.254,44 7.091,45 5,46 8.928,47 10.944,48 10.944,49 10.944,50 4.004,51 13.034,52 10.873,53 10.873,54 14.841,55 7.822,56 29.704,57 1.098,58 1,59 6.317,60 8.401,61 9.509,62 10.664,63 15.638,64 2,65 17.773,66 20.245,67 5}
{0 CHEMBL467069,1 5.123,2 9.99,3 14.292,4 15.379,5 16.503,6 3.123,7 3.123,8 12.112,9 13.159,10 17.61,11 10.949,12 8.743,13 7.974,14 6.507,15 1.115,16 3.027,17 6.141,18 7.919,19 7.919,20 12.244,21 12.777,22 0.228,24 4.161,25 4.161,26 11.359,27 5.795,28 10,29 2.532,30 10.867,31 0.24,32 5.229,33 10.476,34 1.448,35 1.448,36 4.107,37 4.049,38 18.193,40 0.057,42 6.605,43 10.986,44 6.866,45 11,46 8.715,47 10.937,48 10.937,49 10.937,50 3.584,51 12.742,52 10.441,53 10.441,54 14.527,55 7.615,56 29.29,57 1.229,59 5.976,60 8.148,61 9.27,62 10.469,63 15.243,65 17.35,66 19.814,67 6.347}
{0 CHEMBL467321,1 5.106,2 9.886,3 14.146,4 15.221,5 16.337,6 3.106,7 3.106,8 11.987,9 13.018,10 17.433,11 10.824,12 8.628,13 7.89,14 6.396,15 1.01,16 2.955,17 6.078,18 8.022,19 8.022,20 12.195,21 12.729,22 0.232,24 4.147,25 4.147,26 11.31,27 5.806,28 7,29 2.543,30 10.791,31 0.246,32 5.215,33 10.43,34 1.462,35 1.462,36 4.003,37 3.986,38 18.125,40 0.036,42 6.494,43 10.905,44 6.808,45 10,46 8.672,47 10.946,48 10.946,49 10.946,50 3.596,51 12.655,52 10.151,53 10.151,54 14.433,55 7.555,56 29.165,57 1.192,59 5.982,60 8.079,61 9.199,62 10.414,63 15.158,65 17.266,66 19.722,67 6.027}
{0 CHEMBL475251,1 5.249,2 10.098,3 14.505,4 15.627,5 16.772,6 3.249,7 3.249,8 12.273,9 13.362,10 17.912,11 11.12,12 8.897,13 8.024,14 6.67,15 1.215,16 2.887,17 6.13,18 9.146,19 9.146,20 12.301,21 12.828,22 0.295,23 1,24 4.367,25 4.367,26 11.406,27 6.161,28 1,29 2.705,30 11.154,31 0.31,32 5.479,33 10.521,34 1.811,35 1.811,36 4.326,37 4.012,38 19.836,39 1.8,40 -0.017,41 12.141,42 6.524,43 11.194,44 6.974,45 2,46 8.743,47 12.355,48 12.355,49 12.355,50 3.848,51 13.005,52 10.264,53 10.264,54 14.844,55 7.714,56 30.098,57 1.068,58 1,59 6.123,60 8.392,61 9.424,62 10.565,63 15.716,64 1,65 17.977,66 20.489,67 5}
{0 CHEMBL477772,1 5.09,2 10.07,3 14.389,4 15.48,5 16.596,6 3.09,7 3.09,8 12.207,9 13.268,10 17.701,11 11.067,12 8.872,13 8.017,14 6.662,15 1.118,16 3.082,17 6.125,18 9.682,19 9.682,20 12.256,21 12.781,22 0.28,24 4.298,25 4.298,26 11.356,27 6.389,28 5,29 2.741,30 11.134,31 0.299,32 5.375,33 10.471,34 1.719,35 1.719,36 4.329,37 4.154,38 19.593,40 -0.078,41 23.56,42 6.671,43 11.173,44 6.934,45 8,46 8.688,47 12.181,48 12.181,49 12.181,50 3.878,51 12.992,52 10.671,53 10.671,54 14.838,55 7.673,56 30.105,57 1.185,59 5.83,60 8.374,61 9.393,62 10.47,63 15.71,64 2,65 17.963,66 20.477,67 5}
{0 CHEMBL477817,1 5.113,2 9.978,3 14.28,4 15.366,5 16.482,6 3.113,7 3.113,8 12.104,9 13.156,10 17.585,11 10.955,12 8.753,13 7.945,14 6.517,15 0.921,16 3.009,17 6.087,18 8.562,19 8.562,20 12.297,21 12.818,22 0.259,23 1,24 4.178,25 4.178,26 11.395,27 6.024,28 7,29 2.689,30 10.923,31 0.278,32 5.31,33 10.495,34 1.587,35 1.587,36 4.095,37 4.066,38 18.343,40 -0.083,41 12.335,42 6.613,43 11.004,44 6.851,45 9,46 8.699,47 11.064,48 11.064,49 11.064,50 3.762,51 12.78,52 10.469,53 10.469,54 14.581,55 7.587,56 29.395,57 1.211,59 5.76,60 8.161,61 9.266,62 10.415,63 15.336,64 2,65 17.455,66 19.924,67 4.292}
{0 CHEMBL483321,1 4.997,2 9.647,3 13.69,4 14.706,5 15.785,6 2.997,7 2.997,8 11.637,9 12.597,10 16.83,11 10.501,12 8.411,13 7.759,14 6.293,15 0.681,16 2.787,17 6.028,18 7.338,19 7.338,20 12.032,21 12.578,22 0.246,23 1,24 4.053,25 4.053,26 11.163,27 5.475,28 6,29 2.468,30 10.559,31 0.26,32 5.132,33 10.3,34 1.549,35 1.549,36 4.028,37 3.857,38 17.186,40 -0.076,41 11.491,42 6.104,43 10.779,44 6.725,45 11,46 8.578,47 10.341,48 10.341,49 10.341,50 3.542,51 12.487,52 8.927,53 8.927,54 14.222,55 7.493,56 28.61,57 1.129,59 5.905,60 7.962,61 9.107,62 10.328,63 14.742,64 2,65 16.724,66 19.136,67 5}
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{0 CHEMBL48636,1 5.278,2 10.337,3 14.743,4 15.862,5 17.01,6 3.278,7 3.278,8 12.512,9 13.595,10 18.149,11 11.346,12 9.108,13 8.257,14 6.849,15 1.903,16 2.935,17 6.348,18 9.415,19 9.415,20 12.382,21 12.909,22 0.251,23 4,24 4.281,25 4.281,26 11.487,27 6.253,28 8,29 2.871,30 11.131,31 0.266,32 5.364,33 10.601,34 1.576,35 1.576,36 4.45,37 3.984,38 19.322,40 0.028,41 49.781,42 6.504,43 11.213,44 7.027,45 13,46 8.825,47 11.775,48 11.775,49 11.775,50 3.908,51 12.998,52 10.027,53 10.027,54 14.808,55 7.773,56 29.734,57 1.178,59 6.527,60 8.344,61 9.465,62 10.582,63 15.591,64 4,65 17.743,66 20.242,67 9.111}
{0 CHEMBL48665,1 5.28,2 10.289,3 14.705,4 15.827,5 16.979,6 3.28,7 3.28,8 12.468,9 13.551,10 18.122,11 11.295,12 9.05,13 8.209,14 6.785,15 1.722,16 2.94,17 6.305,18 9.355,19 9.355,20 12.357,21 12.883,22 0.23,23 3,24 4.284,25 4.284,26 11.46,27 6.229,28 8,29 2.84,30 11.088,31 0.242,32 5.366,33 10.573,34 1.448,35 1.448,36 4.379,37 3.987,38 19.369,40 0.108,41 38.074,42 6.516,43 11.161,44 6.986,45 19,46 8.794,47 11.803,48 11.803,49 11.803,50 3.884,51 12.944,52 10.08,53 10.08,54 14.752,55 7.73,56 29.699,57 1.198,59 6.476,60 8.296,61 9.417,62 10.547,63 15.558,64 3,65 17.719,66 20.226,67 7.398}
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{0 CHEMBL491473,1 5.047,2 9.824,3 14.056,4 15.124,5 16.229,6 3.047,7 3.047,8 11.912,9 12.94,10 17.316,11 10.766,12 8.593,13 7.839,14 6.392,15 0.941,16 2.991,17 6.036,18 8.715,19 8.715,20 12.284,21 12.809,22 0.26,24 4.141,25 4.141,26 11.387,27 6.051,28 4,29 2.455,30 10.879,31 0.274,32 5.244,33 10.494,34 1.62,35 1.62,36 4.034,37 4.067,38 18.01,39 1.7,40 0.076,42 6.571,43 10.98,44 6.855,45 3,46 8.711,47 10.723,48 10.723,49 10.723,50 3.597,51 12.741,52 10.452,53 10.452,54 14.528,55 7.595,56 29.259,57 1.211,58 1,59 5.997,60 8.145,61 9.258,62 10.452,63 15.246,65 17.332,66 19.789,67 5}
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{0 CHEMBL49354,1 5.278,2 10.327,3 14.73,4 15.849,5 16.997,6 3.278,7 3.278,8 12.499,9 13.58,10 18.137,11 11.331,12 9.093,13 8.255,14 6.837,15 1.965,16 2.932,17 6.361,18 9.388,19 9.388,20 12.387,21 12.916,22 0.255,23 4,24 4.281,25 4.281,26 11.495,27 6.244,28 8,29 2.862,30 11.134,31 0.268,32 5.365,33 10.613,34 1.62,35 1.62,36 4.45,37 3.979,38 19.322,40 0.072,41 50.296,42 6.504,43 11.22,44 7.041,45 12,46 8.843,47 11.775,48 11.775,49 11.775,50 3.897,51 13.001,52 10.027,53 10.027,54 14.81,55 7.789,56 29.731,57 1.152,59 6.627,60 8.348,61 9.475,62 10.595,63 15.59,64 4,65 17.74,66 20.24,67 7.35}
{0 CHEMBL494089,1 5.139,2 10.057,3 14.414,4 15.517,5 16.643,6 3.185,7 3.185,8 12.212,9 13.285,10 17.762,11 11.067,12 8.853,13 7.987,14 6.613,15 1.49,16 2.955,17 6.08,18 9.889,19 9.889,20 12.334,21 12.842,22 0.266,24 4.315,25 4.315,26 11.409,27 6.393,28 8,29 2.763,30 11.079,31 0.279,32 5.397,33 10.498,34 1.633,35 1.633,36 4.218,37 4.058,38 19.91,40 -0.024,42 6.46,43 11.068,44 6.868,45 4,46 8.677,47 12.281,48 12.281,49 12.281,50 3.848,51 12.876,52 9.999,53 9.999,54 14.71,55 7.595,56 29.813,57 1.146,59 6.093,60 8.291,61 9.3,62 10.389,63 15.672,65 17.931,66 20.451,67 8.66}
{0 CHEMBL509032,1 5.028,2 9.928,3 14.021,4 15.05,5 16.127,6 3.028,7 3.028,8 11.949,9 12.934,10 17.179,11 10.829,12 8.723,13 7.995,14 6.59,15 1.722,16 2.863,17 6.218,18 9.113,19 9.113,20 12.453,21 12.985,22 0.253,24 4.389,25 4.389,26 11.566,27 6.164,28 7,29 2.7,30 11.371,31 0.262,32 5.487,33 10.684,34 1.669,35 1.669,36 4.315,37 3.966,38 21.688,39 1.2,40 0.034,41 25.817,42 6.301,43 11.384,44 7.146,45 5,46 8.919,47 13.626,48 13.626,49 13.626,50 3.829,51 13.213,52 9.609,53 9.609,54 15.079,55 7.892,56 30.736,57 1.331,58 1,59 6.38,60 8.566,61 9.603,62 10.715,63 16.09,64 2,65 18.478,66 21.081,67 5}
{0 CHEMBL513909,1 5.179,2 10.085,3 14.362,4 15.45,5 16.572,6 3.179,7 3.179,8 12.192,9 13.239,10 17.682,11 11.049,12 8.872,13 8.083,14 6.672,15 1.576,16 2.92,17 6.252,18 9.008,19 9.008,20 12.508,21 13.025,22 0.235,23 2,24 4.309,25 4.309,26 11.599,27 6.218,28 10,29 2.606,30 11.165,31 0.243,32 5.394,33 10.694,34 1.525,35 1.525,36 4.306,37 3.962,38 20.265,40 -0.001,41 26.043,42 6.265,43 11.215,44 7.048,45 6,46 8.888,47 12.265,48 12.265,49 12.265,50 3.685,51 12.998,52 9.475,53 9.475,54 14.808,55 7.784,56 29.789,57 1.313,59 6.381,60 8.353,61 9.47,62 10.659,63 15.661,64 2,65 17.843,66 20.386,67 5}
{0 CHEMBL521851,1 5.106,2 10.162,3 14.497,4 15.591,5 16.709,6 3.106,7 3.106,8 12.308,9 13.372,10 17.816,11 11.16,12 8.945,13 8.101,14 6.699,15 1.421,16 3.077,17 6.211,18 10.64,19 10.64,20 12.515,21 13.028,22 0.282,24 4.248,25 4.248,26 11.599,27 6.634,28 5,29 2.899,30 11.253,31 0.299,32 5.389,33 10.694,34 1.78,35 1.78,36 4.306,37 4.196,38 18.927,40 -0.064,41 23.689,42 6.793,43 11.262,44 7.06,45 5,46 8.879,47 11.657,48 11.657,49 11.657,50 4.021,51 13.076,52 11.247,53 11.247,54 14.919,55 7.785,56 30.109,57 1.224,59 5.882,60 8.474,61 9.491,62 10.631,63 15.815,64 2,65 18.05,66 20.542,67 5}
{0 CHEMBL522892,1 5.24,2 10.062,3 14.472,4 15.591,5 16.739,6 3.24,7 3.24,8 12.238,9 13.32,10 17.877,11 11.065,12 8.82,13 7.989,14 6.557,15 1.487,16 2.917,17 6.098,18 9.293,19 9.293,20 12.388,21 12.897,22 0.274,23 3,24 4.293,25 4.293,26 11.465,27 6.242,28 2,29 2.663,30 11.026,31 0.291,32 5.36,33 10.554,34 1.644,35 1.644,36 4.163,37 3.999,38 19.431,39 2,40 -0.15,41 12.657,42 6.446,43 11.057,44 6.882,45 5,46 8.726,47 11.831,48 11.831,49 11.831,50 3.746,51 12.847,52 10.011,53 10.011,54 14.664,55 7.607,56 29.651,57 1.151,58 1,59 5.946,60 8.203,61 9.304,62 10.511,63 15.525,64 2,65 17.7,66 20.213,67 5}
{0 CHEMBL525191,1 5.165,2 9.889,3 14.286,4 15.394,5 16.531,6 3.165,7 3.165,8 12.064,9 13.138,10 17.654,11 10.886,12 8.627,13 7.807,14 6.324,15 0.771,16 2.992,17 5.904,18 7.804,19 7.804,20 12.094,21 12.61,22 0.271,23 1,24 4.192,25 4.192,26 11.185,27 5.762,28 4,29 2.441,30 10.686,31 0.29,32 5.227,33 10.278,34 1.571,35 1.571,36 3.843,37 4.019,38 18.255,40 -0.073,42 6.521,43 10.731,44 6.594,45 14,46 8.468,47 11.05,48 11.05,49 11.05,50 3.454,51 12.509,52 10.25,53 10.25,54 14.314,55 7.322,56 29.18,57 1.066,59 5.524,60 7.904,61 8.995,62 10.159,63 15.137,64 1,65 17.286,66 19.757,67 5}
{0 CHEMBL52529,1 5.278,2 10.337,3 14.743,4 15.862,5 17.01,6 3.278,7 3.278,8 12.512,9 13.595,10 18.149,11 11.346,12 9.108,13 8.257,14 6.849,15 1.903,16 2.935,17 6.348,18 9.415,19 9.415,20 12.382,21 12.909,22 0.251,23 4,24 4.281,25 4.281,26 11.487,27 6.253,28 8,29 2.871,30 11.131,31 0.266,32 5.364,33 10.601,34 1.576,35 1.576,36 4.45,37 3.984,38 19.322,40 0.028,41 49.781,42 6.504,43 11.213,44 7.027,45 13,46 8.825,47 11.775,48 11.775,49 11.775,50 3.908,51 12.998,52 10.027,53 10.027,54 14.808,55 7.773,56 29.734,57 1.178,59 6.527,60 8.344,61 9.465,62 10.582,63 15.591,64 4,65 17.743,66 20.242,67 9.111}
{0 CHEMBL52654,1 5.4,2 10.464,3 15.084,4 16.258,5 17.452,6 3.4,7 3.4,8 12.747,9 13.889,10 18.641,11 11.535,12 9.189,13 8.285,14 6.822,15 1.456,16 3.1,17 6.306,18 9.941,19 9.941,20 12.673,21 13.167,22 0.239,23 4,24 4.416,25 4.416,26 11.73,27 6.451,28 12,29 2.841,30 11.3,31 0.255,32 5.455,33 10.79,34 1.481,35 1.481,36 4.316,37 4.156,38 20.464,40 0.084,41 26.058,42 6.828,43 11.235,44 7.038,45 15,46 8.914,47 12.636,48 12.636,49 12.636,50 3.879,51 13.053,52 11.33,53 11.33,54 14.9,55 7.744,56 30.148,57 1.196,59 6.189,60 8.39,61 9.458,62 10.617,63 15.96,64 3,65 18.243,66 20.81,67 7.398}
{0 CHEMBL535,1 5.22,2 10.084,3 14.58,4 15.718,5 16.874,6 3.22,7 3.22,8 12.309,9 13.42,10 18.022,11 11.131,12 8.85,13 7.96,14 6.556,15 1.07,16 3.113,17 6.031,18 7.519,19 7.519,20 12.154,21 12.673,22 0.262,23 3,24 4.245,25 4.245,26 11.247,27 5.705,28 6,29 2.375,30 10.853,31 0.273,32 5.284,33 10.348,34 1.584,35 1.584,36 4.139,37 4.136,38 18.419,39 1.8,40 -0.045,41 25.049,42 6.721,43 10.921,44 6.739,45 7,46 8.551,47 11.257,48 11.257,49 11.257,50 3.416,51 12.706,52 10.905,53 10.905,54 14.518,55 7.482,56 29.493,57 1.113,58 1,59 6.047,60 8.072,61 9.173,62 10.247,63 15.345,64 3,65 17.53,66 20.027,67 5}
{0 CHEMBL53596,1 5.407,2 10.51,3 15.141,4 16.317,5 17.513,6 3.407,7 3.407,8 12.799,9 13.945,10 18.703,11 11.587,12 9.237,13 8.325,14 6.87,15 1.654,16 3.126,17 6.34,18 10.362,19 10.362,20 12.733,21 13.225,22 0.234,23 4,24 4.426,25 4.426,26 11.786,27 6.577,28 13,29 2.887,30 11.365,31 0.249,32 5.465,33 10.843,34 1.466,35 1.466,36 4.373,37 4.189,38 20.534,40 0.064,41 26.263,42 6.862,43 11.296,44 7.089,45 15,46 8.96,47 12.678,48 12.678,49 12.678,50 3.942,51 13.118,52 11.457,53 11.457,54 14.967,55 7.794,56 30.227,57 1.199,59 6.249,60 8.447,61 9.514,62 10.665,63 16.033,64 3,65 18.319,66 20.888,67 7.301}
{0 CHEMBL54382,1 5.407,2 10.516,3 15.143,4 16.318,5 17.514,6 3.407,7 3.407,8 12.803,9 13.947,10 18.704,11 11.591,12 9.243,13 8.335,14 6.877,15 1.716,16 3.126,17 6.353,18 10.363,19 10.363,20 12.745,21 13.238,22 0.229,23 4,24 4.426,25 4.426,26 11.799,27 6.577,28 13,29 2.887,30 11.376,31 0.244,32 5.465,33 10.857,34 1.451,35 1.451,36 4.373,37 4.189,38 20.534,40 0.072,41 26.334,42 6.862,43 11.31,44 7.104,45 15,46 8.976,47 12.678,48 12.678,49 12.678,50 3.942,51 13.13,52 11.457,53 11.457,54 14.979,55 7.809,56 30.23,57 1.2,59 6.281,60 8.461,61 9.529,62 10.68,63 16.038,64 3,65 18.323,66 20.891,67 7.398}
{0 CHEMBL553,1 5.024,2 9.415,3 13.561,4 14.604,5 15.699,6 3.024,7 3.024,8 11.458,9 12.452,10 16.767,11 10.308,12 8.162,13 7.478,14 5.979,15 0.792,16 2.658,17 5.723,18 7.719,19 7.719,20 11.891,21 12.425,22 0.261,24 4.1,25 4.1,26 11.004,27 5.609,28 6,29 2.446,30 10.42,31 0.275,32 5.178,33 10.126,34 1.568,35 1.568,36 3.644,37 3.703,38 17.476,40 -0.007,42 6.058,43 10.558,44 6.491,45 8,46 8.374,47 10.539,48 10.539,49 10.539,50 3.548,51 12.291,52 8.765,53 8.765,54 14.053,55 7.245,56 28.626,57 1.065,59 5.839,60 7.736,61 8.869,62 10.116,63 14.709,65 16.752,66 19.187,67 5}
{0 CHEMBL55394,1 5.407,2 10.586,3 15.179,4 16.348,5 17.539,6 3.407,7 3.407,8 12.854,9 13.99,10 18.724,11 11.65,12 9.324,13 8.422,14 6.983,15 1.71,16 3.126,17 6.448,18 10.363,19 10.363,20 12.807,21 13.302,22 0.223,23 4,24 4.426,25 4.426,26 11.865,27 6.577,28 15,29 2.888,30 11.424,31 0.237,32 5.475,33 10.926,34 1.432,35 1.432,36 4.514,37 4.189,38 20.534,40 0.072,41 26.464,42 6.862,43 11.373,44 7.175,45 15,46 9.052,47 12.678,48 12.678,49 12.678,50 3.943,51 13.187,52 11.457,53 11.457,54 15.028,55 7.883,56 30.242,57 1.2,59 6.338,60 8.541,61 9.598,62 10.754,63 16.064,64 3,65 18.339,66 20.903,67 7.301}
{0 CHEMBL554,1 5.053,2 9.937,3 14.023,4 15.048,5 16.131,6 3.053,7 3.053,8 11.952,9 12.927,10 17.184,11 10.819,12 8.711,13 8.009,14 6.57,15 1.153,16 2.799,17 6.229,18 9.089,19 9.089,20 12.276,21 12.815,22 0.283,24 4.091,25 4.091,26 11.394,27 6.141,28 6,29 2.635,30 10.949,31 0.3,32 5.17,33 10.531,34 1.816,35 1.816,36 4.281,37 3.952,38 17.268,39 3,40 -0.061,41 22.593,42 6.394,43 11.105,44 6.991,45 11,46 8.795,47 10.419,48 10.419,49 10.419,50 3.843,51 12.85,52 9.951,53 9.951,54 14.619,55 7.747,56 29.152,57 1.209,58 2,59 6.078,60 8.347,61 9.397,62 10.538,63 15.235,64 2,65 17.304,66 19.683,67 5}
{0 CHEMBL55788,1 5.407,2 10.497,3 15.136,4 16.312,5 17.509,6 3.407,7 3.407,8 12.791,9 13.938,10 18.7,11 11.576,12 9.219,13 8.304,14 6.837,15 1.543,16 3.126,17 6.311,18 10.362,19 10.362,20 12.709,21 13.201,22 0.239,23 4,24 4.426,25 4.426,26 11.762,27 6.576,28 10,29 2.886,30 11.346,31 0.255,32 5.465,33 10.818,34 1.481,35 1.481,36 4.316,37 4.188,38 20.534,40 0.04,41 26.177,42 6.862,43 11.262,44 7.054,45 15,46 8.933,47 12.678,48 12.678,49 12.678,50 3.94,51 13.089,52 11.456,53 11.456,54 14.944,55 7.754,56 30.224,57 1.199,59 6.23,60 8.415,61 9.476,62 10.633,63 16.026,64 3,65 18.316,66 20.886,67 6.699}
{0 CHEMBL558752,1 4.998,2 10.007,3 14.142,4 15.179,5 16.254,6 2.998,7 2.998,8 12.054,9 13.056,10 17.308,11 10.938,12 8.815,13 8.036,14 6.661,15 1.518,16 2.892,17 6.208,18 10.796,19 10.796,20 12.436,21 12.96,22 0.303,24 4.188,25 4.188,26 11.534,27 6.694,28 5,29 2.872,30 11.355,31 0.325,32 5.281,33 10.651,34 1.859,35 1.859,36 4.369,37 4.173,38 18.803,39 11.3,40 -0.092,42 7.111,43 11.385,44 7.132,45 6,46 8.87,47 11.714,48 11.714,49 11.714,50 4.124,51 13.216,52 11.657,53 11.657,54 15.075,55 7.869,56 30.389,57 1.097,58 6,59 6.101,60 8.63,61 9.595,62 10.627,63 15.949,65 18.224,66 20.709,67 5}
{0 CHEMBL565612,1 5.375,2 10.369,3 14.942,4 16.106,5 17.293,6 3.375,7 3.375,8 12.626,9 13.755,10 18.474,11 11.422,12 9.101,13 8.222,14 6.764,15 1.601,16 3.019,17 6.277,18 9.55,19 9.55,20 12.623,21 13.123,22 0.253,23 4,24 4.391,25 4.391,26 11.689,27 6.323,28 13,29 2.79,30 11.243,31 0.271,32 5.466,33 10.759,34 1.568,35 1.568,36 4.294,37 4.07,38 20.276,40 0.065,41 26.127,42 6.661,43 11.21,44 7.029,45 12,46 8.901,47 12.545,48 12.545,49 12.545,50 3.838,51 13.015,52 10.735,53 10.735,54 14.85,55 7.742,56 30.012,57 1.208,59 6.223,60 8.362,61 9.445,62 10.637,63 15.851,64 3,65 18.107,66 20.663,67 8.215}
{0 CHEMBL565632,1 5.391,2 10.375,3 14.994,4 16.167,5 17.362,6 3.391,7 3.391,8 12.656,9 13.797,10 18.55,11 11.442,12 9.096,13 8.202,14 6.736,15 1.441,16 3.051,17 6.236,18 9.439,19 9.439,20 12.517,21 13.017,22 0.242,23 4,24 4.394,25 4.394,26 11.582,27 6.298,28 11,29 2.803,30 11.147,31 0.259,32 5.447,33 10.655,34 1.495,35 1.495,36 4.256,37 4.068,38 20.268,40 0.015,41 25.976,42 6.651,43 11.107,44 6.932,45 22,46 8.804,47 12.541,48 12.541,49 12.541,50 3.821,51 12.912,52 10.691,53 10.691,54 14.747,55 7.648,56 29.95,57 1.157,59 6.23,60 8.262,61 9.345,62 10.524,63 15.776,64 3,65 18.046,66 20.61,67 7.959}
{0 CHEMBL566424,1 5.389,2 10.348,3 14.978,4 16.153,5 17.348,6 3.389,7 3.389,8 12.637,9 13.782,10 18.538,11 11.425,12 9.076,13 8.166,14 6.711,15 1.417,16 3.052,17 6.192,18 9.752,19 9.752,20 12.556,21 13.052,22 0.253,23 4,24 4.406,25 4.406,26 11.615,27 6.397,28 12,29 2.77,30 11.197,31 0.27,32 5.507,33 10.679,34 1.553,35 1.553,36 4.224,37 4.111,38 20.396,40 0.046,41 25.884,42 6.756,43 11.133,44 6.94,45 17,46 8.812,47 12.602,48 12.602,49 12.602,50 3.834,51 12.95,52 11.069,53 11.069,54 14.797,55 7.65,56 30.054,57 1.192,59 6.111,60 8.29,61 9.359,62 10.497,63 15.862,64 3,65 18.15,66 20.716,67 6.533}
{0 CHEMBL566853,1 5.355,2 10.141,3 14.744,4 15.913,5 17.105,6 3.355,7 3.355,8 12.413,9 13.55,10 18.29,11 11.203,12 8.869,13 7.984,14 6.525,15 1.129,16 2.926,17 6.038,18 7.909,19 7.909,20 12.256,21 12.764,22 0.257,23 4,24 4.359,25 4.359,26 11.332,27 5.816,28 7,29 2.523,30 10.909,31 0.274,32 5.411,33 10.418,34 1.536,35 1.536,36 4.07,37 3.949,38 19.951,40 -0.013,41 25.196,42 6.49,43 10.895,44 6.732,45 14,46 8.592,47 12.332,48 12.332,49 12.332,50 3.569,51 12.691,52 10.093,53 10.093,54 14.519,55 7.458,56 29.702,57 1.118,59 6.007,60 8.057,61 9.143,62 10.286,63 15.523,64 3,65 17.795,66 20.351,67 7.328}
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{0 CHEMBL568580,1 5.393,2 10.442,3 15.038,4 16.207,5 17.399,6 3.393,7 3.393,8 12.711,9 13.845,10 18.584,11 11.5,12 9.165,13 8.281,14 6.812,15 1.601,16 3.066,17 6.319,18 9.55,19 9.55,20 12.623,21 13.123,22 0.236,23 4,24 4.397,25 4.397,26 11.689,27 6.323,28 11,29 2.818,30 11.243,31 0.253,32 5.464,33 10.759,34 1.475,35 1.475,36 4.324,37 4.087,38 20.276,40 0.079,41 26.23,42 6.661,43 11.21,44 7.029,45 22,46 8.901,47 12.545,48 12.545,49 12.545,50 3.849,51 13.015,52 10.735,53 10.735,54 14.85,55 7.742,56 30.012,57 1.248,59 6.237,60 8.362,61 9.445,62 10.637,63 15.851,64 3,65 18.107,66 20.663,67 7.602}
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{0 CHEMBL584483,1 5.396,2 10.406,3 15.037,4 16.212,5 17.408,6 3.396,7 3.396,8 12.695,9 13.838,10 18.598,11 11.477,12 9.122,13 8.224,14 6.747,15 1.431,16 3.078,17 6.249,18 9.719,19 9.719,20 12.55,21 13.048,22 0.229,23 4,24 4.405,25 4.405,26 11.612,27 6.387,28 14,29 2.831,30 11.198,31 0.244,32 5.44,33 10.68,34 1.425,35 1.425,36 4.25,37 4.112,38 20.385,40 0.05,41 26.056,42 6.751,43 11.137,44 6.948,45 24,46 8.82,47 12.595,48 12.595,49 12.595,50 3.848,51 12.952,52 11.05,53 11.05,54 14.798,55 7.66,56 30.047,57 1.275,59 6.226,60 8.289,61 9.365,62 10.537,63 15.858,64 3,65 18.143,66 20.709,67 6.457}
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{0 CHEMBL585281,1 5.388,2 10.373,3 14.999,4 16.172,5 17.366,6 3.388,7 3.388,8 12.66,9 13.804,10 18.554,11 11.447,12 9.098,13 8.19,14 6.729,15 1.417,16 3.065,17 6.214,18 9.752,19 9.752,20 12.556,21 13.052,22 0.25,23 4,24 4.406,25 4.406,26 11.615,27 6.397,28 12,29 2.815,30 11.197,31 0.267,32 5.445,33 10.679,34 1.538,35 1.538,36 4.233,37 4.116,38 20.396,40 0.086,41 25.794,42 6.756,43 11.133,44 6.94,45 12,46 8.812,47 12.602,48 12.602,49 12.602,50 3.849,51 12.95,52 11.069,53 11.069,54 14.797,55 7.65,56 30.054,57 1.185,59 6.148,60 8.29,61 9.359,62 10.497,63 15.862,64 3,65 18.15,66 20.716,67 6.502}
{0 CHEMBL585500,1 5.356,2 10.224,3 14.795,4 15.957,5 17.144,6 3.356,7 3.356,8 12.479,9 13.607,10 18.324,11 11.275,12 8.955,13 8.081,14 6.618,15 1.177,16 2.934,17 6.138,18 9.123,19 9.123,20 12.381,21 12.889,22 0.25,23 4,24 4.36,25 4.36,26 11.459,27 6.161,28 7,29 2.705,30 11.029,31 0.267,32 5.428,33 10.542,34 1.513,35 1.513,36 4.151,37 3.963,38 19.954,40 0.064,41 25.451,42 6.494,43 11.021,44 6.849,45 14,46 8.709,47 12.334,48 12.334,49 12.334,50 3.794,51 12.819,52 10.113,53 10.113,54 14.646,55 7.57,56 29.778,57 1.182,59 6.012,60 8.179,61 9.264,62 10.428,63 15.617,64 3,65 17.87,66 20.415,67 7.444}
{0 CHEMBL590109,1 5.214,2 10.143,3 14.547,4 15.66,5 16.803,6 3.214,7 3.214,8 12.319,9 13.397,10 17.933,11 11.144,12 8.89,13 8.063,14 6.605,15 1.157,16 3.028,17 6.164,18 9.381,19 9.381,20 12.562,21 13.064,22 0.254,24 4.273,25 4.273,26 11.631,27 6.228,28 8,29 2.762,30 11.118,31 0.276,32 5.387,33 10.703,34 1.556,35 1.556,36 4.164,37 4.116,38 18.989,40 -0.028,42 6.717,43 11.123,44 6.965,45 16,46 8.848,47 11.571,48 11.571,49 11.571,50 3.852,51 12.914,52 10.966,53 10.966,54 14.73,55 7.677,56 29.686,57 1.135,59 5.861,60 8.29,61 9.37,62 10.558,63 15.62,65 17.797,66 20.3,67 7.009}
{0 CHEMBL593619,1 5.097,2 9.75,3 14.045,4 15.128,5 16.246,6 3.097,7 3.097,8 11.871,9 12.917,10 17.346,11 10.71,12 8.499,13 7.729,14 6.248,15 0.726,16 2.939,17 5.893,18 7.421,19 7.421,20 11.963,21 12.499,22 0.232,24 4.134,25 4.134,26 11.082,27 5.66,28 6,29 2.327,30 10.611,31 0.245,32 5.201,33 10.204,34 1.399,35 1.399,36 3.819,37 3.972,38 17.872,40 0.046,42 6.491,43 10.721,44 6.6,45 6,46 8.452,47 10.631,48 10.631,49 10.631,50 3.444,51 12.483,52 10.125,53 10.125,54 14.274,55 7.349,56 29.041,57 1.223,59 5.69,60 7.886,61 9.002,62 10.202,63 14.989,64 1,65 17.087,66 19.539,67 6.26}
{0 CHEMBL593883,1 5.097,2 9.804,3 14.073,4 15.15,5 16.265,6 3.097,7 3.097,8 11.91,9 12.947,10 17.361,11 10.752,12 8.557,13 7.8,14 6.328,15 0.726,16 2.939,17 5.976,18 7.421,19 7.421,20 12.008,21 12.546,22 0.222,24 4.134,25 4.134,26 11.13,27 5.66,28 8,29 2.48,30 10.652,31 0.234,32 5.174,33 10.255,34 1.373,35 1.373,36 3.931,37 3.972,38 17.872,40 0.082,42 6.491,43 10.784,44 6.666,45 8,46 8.509,47 10.631,48 10.631,49 10.631,50 3.564,51 12.538,52 10.125,53 10.125,54 14.321,55 7.42,56 29.051,57 1.225,59 5.781,60 7.947,61 9.071,62 10.26,63 15.009,64 1,65 17.098,66 19.548,67 7}
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{0 CHEMBL59677,1 5.279,2 10.359,3 14.769,4 15.888,5 17.036,6 3.279,7 3.279,8 12.537,9 13.621,10 18.174,11 11.371,12 9.131,13 8.274,14 6.868,15 1.903,16 2.957,17 6.358,18 9.415,19 9.415,20 12.382,21 12.909,22 0.267,23 4,24 4.282,25 4.282,26 11.487,27 6.253,28 5,29 2.873,30 11.131,31 0.283,32 5.327,33 10.601,34 1.676,35 1.676,36 4.465,37 3.992,38 19.322,40 0.037,41 49.875,42 6.504,43 11.213,44 7.027,45 12,46 8.825,47 11.775,48 11.775,49 11.775,50 3.909,51 12.998,52 10.027,53 10.027,54 14.808,55 7.773,56 29.734,57 1.14,59 6.535,60 8.344,61 9.465,62 10.582,63 15.591,64 4,65 17.743,66 20.242,67 8.523}
{0 CHEMBL59687,1 5.279,2 10.358,3 14.763,4 15.882,5 17.03,6 3.279,7 3.279,8 12.532,9 13.614,10 18.169,11 11.364,12 9.123,13 8.281,14 6.861,15 1.965,16 2.955,17 6.379,18 9.388,19 9.388,20 12.387,21 12.916,22 0.258,23 4,24 4.282,25 4.282,26 11.495,27 6.244,28 5,29 2.868,30 11.134,31 0.271,32 5.32,33 10.613,34 1.644,35 1.644,36 4.465,37 3.987,38 19.322,40 0.075,41 50.459,42 6.504,43 11.22,44 7.041,45 12,46 8.843,47 11.775,48 11.775,49 11.775,50 3.9,51 13.001,52 10.027,53 10.027,54 14.81,55 7.789,56 29.731,57 1.156,59 6.65,60 8.348,61 9.475,62 10.595,63 15.59,64 4,65 17.74,66 20.24,67 7.301}
{0 CHEMBL59828,1 5.278,2 10.328,3 14.735,4 15.854,5 17.002,6 3.278,7 3.278,8 12.503,9 13.587,10 18.142,11 11.338,12 9.102,13 8.248,14 6.845,15 1.903,16 2.933,17 6.339,18 9.415,19 9.415,20 12.382,21 12.909,22 0.264,23 4,24 4.281,25 4.281,26 11.487,27 6.253,28 8,29 2.866,30 11.131,31 0.279,32 5.372,33 10.601,34 1.648,35 1.648,36 4.45,37 3.983,38 19.322,40 0.033,41 49.712,42 6.504,43 11.213,44 7.027,45 12,46 8.825,47 11.775,48 11.775,49 11.775,50 3.905,51 12.998,52 10.027,53 10.027,54 14.808,55 7.773,56 29.734,57 1.14,59 6.514,60 8.344,61 9.465,62 10.582,63 15.591,64 4,65 17.743,66 20.242,67 8.398}
{0 CHEMBL601719,1 4.952,2 9.669,3 13.767,4 14.791,5 15.862,6 2.952,7 2.952,8 11.697,9 12.681,10 16.905,11 10.571,12 8.451,13 7.721,14 6.288,15 1.039,16 2.88,17 5.925,18 8.943,19 8.943,20 12.119,21 12.651,22 0.297,24 4.095,25 4.095,26 11.232,27 6.112,28 5,29 2.668,30 10.815,31 0.312,32 5.171,33 10.35,34 1.778,35 1.778,36 3.965,37 3.994,38 18.081,39 5.8,40 0.073,42 6.323,43 10.935,44 6.772,45 7,46 8.585,47 10.939,48 10.939,49 10.939,50 3.767,51 12.707,52 9.687,53 9.687,54 14.503,55 7.521,56 29.267,57 1.171,58 3,59 5.803,60 8.079,61 9.2,62 10.345,63 15.186,65 17.27,66 19.721,67 5}
{0 CHEMBL60254,1 5.278,2 10.327,3 14.73,4 15.849,5 16.997,6 3.278,7 3.278,8 12.499,9 13.58,10 18.137,11 11.331,12 9.093,13 8.255,14 6.837,15 1.965,16 2.932,17 6.361,18 9.388,19 9.388,20 12.387,21 12.916,22 0.255,23 4,24 4.281,25 4.281,26 11.495,27 6.244,28 8,29 2.862,30 11.134,31 0.268,32 5.365,33 10.613,34 1.62,35 1.62,36 4.45,37 3.979,38 19.322,40 0.072,41 50.296,42 6.504,43 11.22,44 7.041,45 12,46 8.843,47 11.775,48 11.775,49 11.775,50 3.897,51 13.001,52 10.027,53 10.027,54 14.81,55 7.789,56 29.731,57 1.152,59 6.627,60 8.348,61 9.475,62 10.595,63 15.59,64 4,65 17.74,66 20.24,67 7.679}
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{0 CHEMBL607707,1 5.129,2 9.734,3 13.968,4 15.044,5 16.164,6 3.129,7 3.129,8 11.815,9 12.842,10 17.266,11 10.661,12 8.499,13 7.766,14 6.33,15 1.236,16 2.698,17 5.976,18 8.312,19 8.312,20 12.132,21 12.659,22 0.284,23 1,24 4.181,25 4.181,26 11.236,27 5.948,28 6,29 2.554,30 10.725,31 0.3,32 5.222,33 10.348,34 1.741,35 1.741,36 4.04,37 3.794,38 18.277,39 3.6,40 0.005,41 12.449,42 6.166,43 10.865,44 6.744,45 4,46 8.577,47 11.049,48 11.049,49 11.049,50 3.697,51 12.613,52 9.164,53 9.164,54 14.387,55 7.499,56 29.047,57 1.048,58 2,59 6.133,60 8.017,61 9.154,62 10.338,63 15.062,64 2,65 17.137,66 19.603,67 5}
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{0 CHEMBL63262,1 5.197,2 9.777,3 14.199,4 15.319,5 16.462,6 3.197,7 3.197,8 11.963,9 13.053,10 17.597,11 10.799,12 8.553,13 7.686,14 6.287,15 1.331,16 2.834,17 5.774,18 7.682,19 7.682,20 12.041,21 12.551,22 0.267,23 1,24 4.264,25 4.264,26 11.121,27 5.7,29 2.43,30 10.79,31 0.279,32 5.321,33 10.213,34 1.53,35 1.53,36 3.887,37 3.921,38 19.466,40 -0.103,42 6.588,43 10.779,44 6.569,45 5,46 8.389,47 11.839,48 11.839,49 11.839,50 3.501,51 12.589,52 10.287,53 10.287,54 14.426,55 7.292,56 29.559,57 1.257,59 5.928,60 7.905,61 9.006,62 10.103,63 15.37,64 1,65 17.597,66 20.126,67 5.666}
{0 CHEMBL66452,1 5.28,2 10.347,3 14.753,4 15.872,5 17.02,6 3.28,7 3.28,8 12.522,9 13.604,10 18.16,11 11.355,12 9.117,13 8.268,14 6.855,15 2.042,16 2.939,17 6.363,18 9.418,19 9.418,20 12.416,21 12.943,22 0.243,23 4,24 4.285,25 4.285,26 11.52,27 6.253,28 11,29 2.872,30 11.154,31 0.256,32 5.368,33 10.634,34 1.551,35 1.551,36 4.45,37 3.989,38 19.375,40 -0.014,41 50.995,42 6.517,43 11.232,44 7.052,45 13,46 8.857,47 11.805,48 11.805,49 11.805,50 3.911,51 13.016,52 10.086,53 10.086,54 14.825,55 7.797,56 29.753,57 1.178,59 6.573,60 8.365,61 9.486,62 10.607,63 15.615,64 4,65 17.767,66 20.269,67 7.284}
{0 CHEMBL66750,1 5.28,2 10.341,3 14.745,4 15.865,5 17.013,6 3.28,7 3.28,8 12.514,9 13.597,10 18.153,11 11.348,12 9.11,13 8.267,14 6.852,15 2.097,16 2.938,17 6.373,18 9.418,19 9.418,20 12.429,21 12.956,22 0.246,23 4,24 4.285,25 4.285,26 11.533,27 6.253,28 11,29 2.866,30 11.157,31 0.258,32 5.375,33 10.649,34 1.592,35 1.592,36 4.45,37 3.988,38 19.375,40 0.025,41 51.409,42 6.517,43 11.239,44 7.066,45 13,46 8.876,47 11.805,48 11.805,49 11.805,50 3.908,51 13.02,52 10.086,53 10.086,54 14.828,55 7.813,56 29.753,57 1.183,59 6.613,60 8.374,61 9.496,62 10.62,63 15.615,64 4,65 17.767,66 20.269,67 7.398}
{0 CHEMBL66923,1 5.28,2 10.345,3 14.752,4 15.871,5 17.019,6 3.28,7 3.28,8 12.52,9 13.603,10 18.159,11 11.354,12 9.116,13 8.265,14 6.855,15 2.042,16 2.938,17 6.357,18 9.418,19 9.418,20 12.404,21 12.931,22 0.247,23 4,24 4.284,25 4.284,26 11.508,27 6.253,28 10,29 2.872,30 11.149,31 0.261,32 5.367,33 10.622,34 1.564,35 1.564,36 4.45,37 3.988,38 19.369,40 0.007,41 50.625,42 6.516,43 11.228,44 7.043,45 13,46 8.844,47 11.803,48 11.803,49 11.803,50 3.91,51 13.013,52 10.08,53 10.08,54 14.823,55 7.789,56 29.751,57 1.178,59 6.561,60 8.359,61 9.48,62 10.599,63 15.611,64 4,65 17.765,66 20.266,67 6.398}
{0 CHEMBL67290,1 5.278,2 10.393,3 14.797,4 15.914,5 17.06,6 3.278,7 3.278,8 12.568,9 13.65,10 18.197,11 11.403,12 9.166,13 8.314,14 6.91,15 2.063,16 2.953,17 6.404,18 9.674,19 9.674,20 12.453,21 12.978,22 0.255,23 4,24 4.281,25 4.281,26 11.554,27 6.311,28 8,29 2.902,30 11.181,31 0.268,32 5.365,33 10.666,34 1.62,35 1.62,36 4.517,37 4.015,38 19.322,40 0.054,41 50.203,42 6.504,43 11.264,44 7.083,45 13,46 8.883,47 11.775,48 11.775,49 11.775,50 3.938,51 13.046,52 10.034,53 10.034,54 14.852,55 7.827,56 29.759,57 1.181,59 6.597,60 8.398,61 9.518,62 10.632,63 15.631,64 4,65 17.779,66 20.277,67 8.523}
{0 CHEMBL67442,1 5.278,2 10.328,3 14.732,4 15.85,5 16.999,6 3.278,7 3.278,8 12.501,9 13.582,10 18.138,11 11.332,12 9.094,13 8.253,14 6.837,15 1.917,16 2.933,17 6.35,18 9.393,19 9.393,20 12.384,21 12.912,22 0.259,23 4,24 4.281,25 4.281,26 11.49,27 6.245,28 8,29 2.863,30 11.133,31 0.273,32 5.356,33 10.606,34 1.634,35 1.634,36 4.45,37 3.98,38 19.322,40 0.05,41 50.009,42 6.504,43 11.216,44 7.034,45 12,46 8.834,47 11.775,48 11.775,49 11.775,50 3.899,51 12.999,52 10.027,53 10.027,54 14.808,55 7.781,56 29.732,57 1.142,59 6.58,60 8.346,61 9.47,62 10.612,63 15.59,64 4,65 17.74,66 20.241,67 7.072}
{0 CHEMBL67528,1 5.281,2 10.358,3 14.753,4 15.871,5 17.019,6 3.281,7 3.281,8 12.525,9 13.605,10 18.158,11 11.362,12 9.133,13 8.293,14 6.891,15 2.153,16 2.939,17 6.407,18 9.418,19 9.418,20 12.441,21 12.97,22 0.256,23 5,24 4.285,25 4.285,26 11.547,27 6.253,28 14,29 2.866,30 11.169,31 0.269,32 5.375,33 10.665,34 1.643,35 1.643,36 4.515,37 3.989,38 19.376,40 0.003,41 62.193,42 6.517,43 11.262,44 7.093,45 12,46 8.896,47 11.805,48 11.805,49 11.805,50 3.908,51 13.039,52 10.086,53 10.086,54 14.843,55 7.843,56 29.754,57 1.142,59 6.677,60 8.398,61 9.524,62 10.639,63 15.619,64 5,65 17.769,66 20.27,67 7.854}
{0 CHEMBL67716,1 5.278,2 10.368,3 14.773,4 15.891,5 17.038,6 3.278,7 3.278,8 12.543,9 13.626,10 18.175,11 11.379,12 9.142,13 8.288,14 6.887,15 2.063,16 2.943,17 6.379,18 9.618,19 9.618,20 12.431,21 12.956,22 0.253,23 4,24 4.281,25 4.281,26 11.532,27 6.299,28 8,29 2.89,30 11.166,31 0.267,32 5.365,33 10.645,34 1.592,35 1.592,36 4.504,37 4.005,38 19.322,40 -0.007,41 49.845,42 6.504,43 11.25,44 7.067,45 13,46 8.864,47 11.775,48 11.775,49 11.775,50 3.932,51 13.032,52 10.032,53 10.032,54 14.839,55 7.812,56 29.752,57 1.148,59 6.651,60 8.384,61 9.503,62 10.617,63 15.62,64 4,65 17.768,66 20.268,67 8.398}
{0 CHEMBL67788,1 5.278,2 10.319,3 14.724,4 15.844,5 16.993,6 3.278,7 3.278,8 12.493,9 13.575,10 18.132,11 11.326,12 9.09,13 8.245,14 6.835,15 1.965,16 2.932,17 6.347,18 9.388,19 9.388,20 12.387,21 12.916,22 0.261,23 4,24 4.281,25 4.281,26 11.495,27 6.244,28 8,29 2.858,30 11.134,31 0.275,32 5.394,33 10.613,34 1.654,35 1.654,36 4.45,37 3.979,38 19.322,40 0.061,41 50.335,42 6.504,43 11.22,44 7.041,45 13,46 8.843,47 11.775,48 11.775,49 11.775,50 3.895,51 13.001,52 10.027,53 10.027,54 14.81,55 7.789,56 29.731,57 1.159,59 6.602,60 8.348,61 9.475,62 10.595,63 15.59,64 4,65 17.74,66 20.24,67 7}
{0 CHEMBL68418,1 5.28,2 10.354,3 14.75,4 15.868,5 17.015,6 3.28,7 3.28,8 12.522,9 13.603,10 18.155,11 11.359,12 9.132,13 8.287,14 6.891,15 2.097,16 2.938,17 6.396,18 9.418,19 9.418,20 12.438,21 12.966,22 0.246,23 4,24 4.285,25 4.285,26 11.543,27 6.253,28 11,29 2.866,30 11.168,31 0.258,32 5.375,33 10.659,34 1.592,35 1.592,36 4.517,37 3.988,38 19.376,40 0.039,41 51.449,42 6.517,43 11.259,44 7.086,45 13,46 8.888,47 11.805,48 11.805,49 11.805,50 3.908,51 13.037,52 10.086,53 10.086,54 14.842,55 7.836,56 29.754,57 1.183,59 6.635,60 8.394,61 9.519,62 10.633,63 15.619,64 4,65 17.769,66 20.27,67 7.301}
{0 CHEMBL70078,1 5.278,2 10.323,3 14.727,4 15.846,5 16.995,6 3.278,7 3.278,8 12.496,9 13.578,10 18.134,11 11.329,12 9.091,13 8.25,14 6.836,15 1.965,16 2.932,17 6.353,18 9.388,19 9.388,20 12.387,21 12.916,22 0.249,23 4,24 4.281,25 4.281,26 11.495,27 6.244,28 12,29 2.86,30 11.134,31 0.262,32 5.374,33 10.613,34 1.58,35 1.58,36 4.45,37 3.979,38 19.322,40 0.069,41 50.236,42 6.504,43 11.22,44 7.041,45 12,46 8.843,47 11.775,48 11.775,49 11.775,50 3.896,51 13.001,52 10.027,53 10.027,54 14.81,55 7.789,56 29.731,57 1.142,59 6.63,60 8.348,61 9.475,62 10.595,63 15.59,64 4,65 17.74,66 20.24,67 8}
{0 CHEMBL71331,1 5.278,2 10.337,3 14.743,4 15.862,5 17.01,6 3.278,7 3.278,8 12.512,9 13.595,10 18.149,11 11.346,12 9.108,13 8.257,14 6.849,15 1.903,16 2.935,17 6.348,18 9.415,19 9.415,20 12.382,21 12.909,22 0.251,23 4,24 4.281,25 4.281,26 11.487,27 6.253,28 8,29 2.871,30 11.131,31 0.266,32 5.364,33 10.601,34 1.576,35 1.576,36 4.45,37 3.984,38 19.322,40 0.028,41 49.781,42 6.504,43 11.213,44 7.027,45 13,46 8.825,47 11.775,48 11.775,49 11.775,50 3.908,51 12.998,52 10.027,53 10.027,54 14.808,55 7.773,56 29.734,57 1.178,59 6.527,60 8.344,61 9.465,62 10.582,63 15.591,64 4,65 17.743,66 20.242,67 9}
{0 CHEMBL72480,1 5.386,2 10.759,3 15.354,4 16.521,5 17.709,6 3.386,7 3.386,8 13.029,9 14.165,10 18.892,11 11.828,12 9.504,13 8.59,14 7.168,15 2.348,16 3.278,17 6.607,18 10.02,19 10.02,20 12.856,21 13.356,22 0.236,23 4,24 4.419,25 4.419,26 11.921,27 6.503,28 12,29 2.925,30 11.532,31 0.248,32 5.505,33 10.994,34 1.53,35 1.53,36 4.697,37 4.281,38 20.434,40 0.102,41 51.234,42 6.99,43 11.522,44 7.309,45 24,46 9.141,47 12.434,48 12.434,49 12.434,50 3.962,51 13.334,52 11.775,53 11.775,54 15.17,55 8.028,56 30.308,57 1.313,59 6.677,60 8.66,61 9.747,62 10.909,63 16.122,64 4,65 18.357,66 20.911,67 5.721}
{0 CHEMBL7463,1 5.396,2 10.391,3 15.029,4 16.206,5 17.402,6 3.396,7 3.396,8 12.684,9 13.831,10 18.592,11 11.47,12 9.115,13 8.203,14 6.742,15 1.417,16 3.075,17 6.221,18 9.752,19 9.752,20 12.556,21 13.052,22 0.241,23 4,24 4.409,25 4.409,26 11.615,27 6.397,28 11,29 2.815,30 11.197,31 0.257,32 5.448,33 10.679,34 1.488,35 1.488,36 4.241,37 4.119,38 20.396,40 0.068,41 25.852,42 6.756,43 11.133,44 6.94,45 14,46 8.812,47 12.602,48 12.602,49 12.602,50 3.849,51 12.95,52 11.069,53 11.069,54 14.797,55 7.65,56 30.054,57 1.192,59 6.158,60 8.29,61 9.359,62 10.497,63 15.862,64 3,65 18.15,66 20.716,67 8}
{0 CHEMBL75004,1 5.278,2 10.392,3 14.795,4 15.913,5 17.059,6 3.278,7 3.278,8 12.566,9 13.648,10 18.196,11 11.401,12 9.164,13 8.312,14 6.909,15 2.063,16 2.952,17 6.402,18 9.674,19 9.674,20 12.453,21 12.978,22 0.249,23 4,24 4.281,25 4.281,26 11.554,27 6.311,28 8,29 2.901,30 11.181,31 0.262,32 5.365,33 10.666,34 1.58,35 1.58,36 4.517,37 4.015,38 19.322,40 0.03,41 50.121,42 6.504,43 11.264,44 7.083,45 13,46 8.883,47 11.775,48 11.775,49 11.775,50 3.938,51 13.046,52 10.034,53 10.034,54 14.852,55 7.827,56 29.759,57 1.181,59 6.598,60 8.398,61 9.518,62 10.632,63 15.631,64 4,65 17.779,66 20.277,67 7.699}
{0 CHEMBL75661,1 5.278,2 10.392,3 14.795,4 15.913,5 17.059,6 3.278,7 3.278,8 12.566,9 13.648,10 18.196,11 11.401,12 9.164,13 8.312,14 6.909,15 2.063,16 2.952,17 6.402,18 9.674,19 9.674,20 12.453,21 12.978,22 0.249,23 4,24 4.281,25 4.281,26 11.554,27 6.311,28 8,29 2.901,30 11.181,31 0.262,32 5.365,33 10.666,34 1.58,35 1.58,36 4.517,37 4.015,38 19.322,40 0.03,41 50.121,42 6.504,43 11.264,44 7.083,45 13,46 8.883,47 11.775,48 11.775,49 11.775,50 3.938,51 13.046,52 10.034,53 10.034,54 14.852,55 7.827,56 29.759,57 1.181,59 6.598,60 8.398,61 9.518,62 10.632,63 15.631,64 4,65 17.779,66 20.277,67 8.699}
{0 CHEMBL76537,1 5.278,2 10.319,3 14.724,4 15.844,5 16.993,6 3.278,7 3.278,8 12.493,9 13.575,10 18.132,11 11.326,12 9.09,13 8.245,14 6.835,15 1.965,16 2.932,17 6.347,18 9.388,19 9.388,20 12.387,21 12.916,22 0.261,23 4,24 4.281,25 4.281,26 11.495,27 6.244,28 8,29 2.858,30 11.134,31 0.275,32 5.394,33 10.613,34 1.654,35 1.654,36 4.45,37 3.979,38 19.322,40 0.061,41 50.335,42 6.504,43 11.22,44 7.041,45 13,46 8.843,47 11.775,48 11.775,49 11.775,50 3.895,51 13.001,52 10.027,53 10.027,54 14.81,55 7.789,56 29.731,57 1.159,59 6.602,60 8.348,61 9.475,62 10.595,63 15.59,64 4,65 17.74,66 20.24,67 7}
{0 CHEMBL76920,1 5.278,2 10.446,3 14.848,4 15.965,5 17.109,6 3.278,7 3.278,8 12.62,9 13.702,10 18.245,11 11.457,12 9.222,13 8.363,14 6.969,15 2.063,16 2.987,17 6.445,18 9.815,19 9.815,20 12.489,21 13.013,22 0.24,23 4,24 4.282,25 4.282,26 11.59,27 6.362,28 12,29 2.915,30 11.222,31 0.251,32 5.365,33 10.699,34 1.539,35 1.539,36 4.581,37 4.045,38 19.322,40 0.105,41 50.499,42 6.505,43 11.311,44 7.12,45 18,46 8.914,47 11.775,48 11.775,49 11.775,50 3.948,51 13.095,52 10.042,53 10.042,54 14.903,55 7.866,56 29.799,57 1.182,59 6.63,60 8.441,61 9.561,62 10.665,63 15.669,64 4,65 17.812,66 20.308,67 8.398}
{0 CHEMBL77399,1 5.278,2 10.451,3 14.853,4 15.969,5 17.114,6 3.278,7 3.278,8 12.625,9 13.707,10 18.249,11 11.463,12 9.227,13 8.369,14 6.972,15 2.143,16 2.99,17 6.452,18 9.859,19 9.859,20 12.507,21 13.031,22 0.249,23 5,24 4.282,25 4.282,26 11.607,27 6.376,28 12,29 2.916,30 11.238,31 0.262,32 5.365,33 10.716,34 1.589,35 1.589,36 4.578,37 4.051,38 19.322,40 0.022,41 62.577,42 6.505,43 11.325,44 7.135,45 13,46 8.931,47 11.775,48 11.775,49 11.775,50 3.95,51 13.109,52 10.047,53 10.047,54 14.917,55 7.88,56 29.811,57 1.179,59 6.653,60 8.455,61 9.575,62 10.68,63 15.684,64 5,65 17.826,66 20.321,67 7.046}
{0 CHEMBL77970,1 5.278,2 10.327,3 14.73,4 15.849,5 16.997,6 3.278,7 3.278,8 12.499,9 13.58,10 18.137,11 11.331,12 9.093,13 8.255,14 6.837,15 1.965,16 2.932,17 6.361,18 9.388,19 9.388,20 12.387,21 12.916,22 0.255,23 4,24 4.281,25 4.281,26 11.495,27 6.244,28 8,29 2.862,30 11.134,31 0.268,32 5.365,33 10.613,34 1.62,35 1.62,36 4.45,37 3.979,38 19.322,40 0.072,41 50.296,42 6.504,43 11.22,44 7.041,45 12,46 8.843,47 11.775,48 11.775,49 11.775,50 3.897,51 13.001,52 10.027,53 10.027,54 14.81,55 7.789,56 29.731,57 1.152,59 6.627,60 8.348,61 9.475,62 10.595,63 15.59,64 4,65 17.74,66 20.24,67 6.585}
{0 CHEMBL78129,1 5.278,2 10.44,3 14.838,4 15.954,5 17.1,6 3.278,7 3.278,8 12.61,9 13.69,10 18.236,11 11.443,12 9.206,13 8.367,14 6.952,15 2.132,16 2.985,17 6.466,18 10,19 10,20 12.564,21 13.086,22 0.248,23 4,24 4.282,25 4.282,26 11.661,27 6.496,28 12,29 2.91,30 11.274,31 0.261,32 5.368,33 10.768,34 1.6,35 1.6,36 4.564,37 4.067,38 19.322,40 0.093,41 50.965,42 6.558,43 11.347,44 7.166,45 13,46 8.977,47 11.775,48 11.775,49 11.775,50 3.947,51 13.13,52 10.414,53 10.414,54 14.939,55 7.907,56 29.86,57 1.223,59 6.686,60 8.476,61 9.599,62 10.735,63 15.732,64 4,65 17.882,66 20.381,67 7.585}
{0 CHEMBL80525,1 5.279,2 10.54,3 15.006,4 16.137,5 17.292,6 3.279,7 3.279,8 12.749,9 13.848,10 18.437,11 11.571,12 9.301,13 8.422,14 7.009,15 2.188,16 3.158,17 6.477,18 10.014,19 10.014,20 12.615,21 13.129,22 0.245,23 4,24 4.283,25 4.283,26 11.701,27 6.502,28 8,29 2.921,30 11.323,31 0.259,32 5.367,33 10.795,34 1.558,35 1.558,36 4.581,37 4.216,38 19.322,40 0.054,41 50.475,42 6.784,43 11.366,44 7.168,45 17,46 8.981,47 11.775,48 11.775,49 11.775,50 3.957,51 13.162,52 11.206,53 11.206,54 14.983,55 7.901,56 29.985,57 1.208,59 6.602,60 8.503,61 9.605,62 10.754,63 15.834,64 4,65 18.017,66 20.53,67 7.699}
{0 CHEMBL91829,1 5.405,2 10.478,3 15.108,4 16.284,5 17.48,6 3.405,7 3.405,8 12.765,9 13.911,10 18.671,11 11.553,12 9.205,13 8.302,14 6.845,15 1.779,16 3.111,17 6.336,18 10.243,19 10.243,20 12.721,21 13.215,22 0.237,23 4,24 4.422,25 4.422,26 11.777,27 6.535,28 16,29 2.866,30 11.336,31 0.251,32 5.512,33 10.84,34 1.502,35 1.502,36 4.365,37 4.167,38 20.497,40 0.022,41 26.371,42 6.82,43 11.278,44 7.093,45 14,46 8.969,47 12.66,48 12.66,49 12.66,50 3.918,51 13.091,52 11.317,53 11.317,54 14.933,55 7.8,56 30.167,57 1.204,59 6.486,60 8.435,61 9.508,62 10.641,63 15.986,64 3,65 18.269,66 20.836,67 5.745}
{0 CHEMBL91959,1 5.405,2 10.512,3 15.119,4 16.292,5 17.487,6 3.405,7 3.405,8 12.785,9 13.923,10 18.676,11 11.573,12 9.238,13 8.357,14 6.891,15 1.73,16 3.111,17 6.418,18 10.243,19 10.243,20 12.788,21 13.287,22 0.23,23 4,24 4.422,25 4.422,26 11.851,27 6.535,28 16,29 2.866,30 11.385,31 0.243,32 5.515,33 10.919,34 1.498,35 1.498,36 4.42,37 4.167,38 20.497,40 0.068,41 26.595,42 6.82,43 11.351,44 7.182,45 14,46 9.061,47 12.66,48 12.66,49 12.66,50 3.918,51 13.153,52 11.317,53 11.317,54 14.985,55 7.895,56 30.177,57 1.244,59 6.552,60 8.513,61 9.591,62 10.743,63 16.008,64 3,65 18.281,66 20.845,67 5.699}
{0 CHEMBL939,1 5.023,2 9.447,3 13.549,4 14.583,5 15.677,6 3.023,7 3.023,8 11.463,9 12.442,10 16.741,11 10.316,12 8.196,13 7.542,14 6.05,15 0.736,16 2.605,17 5.815,18 8.294,19 8.294,20 12.001,21 12.54,22 0.291,24 4.099,25 4.099,26 11.123,27 5.946,28 7,29 2.43,30 10.569,31 0.305,32 5.203,33 10.251,34 1.765,35 1.765,36 3.767,37 3.76,38 17.471,39 3.6,40 0.075,42 6.054,43 10.746,44 6.658,45 3,46 8.511,47 10.534,48 10.534,49 10.534,50 3.569,51 12.479,52 8.734,53 8.734,54 14.238,55 7.418,56 28.749,57 1.182,58 2,59 5.847,60 7.918,61 9.052,62 10.283,63 14.822,65 16.84,66 19.264,67 5}
{0 CHEMBL941,1 4.89,2 9.751,3 13.725,4 14.711,5 15.765,6 2.89,7 2.89,8 11.714,9 12.648,10 16.777,11 10.586,12 8.511,13 7.872,14 6.39,15 0.938,16 2.818,17 6.137,18 8.628,19 8.628,20 12.095,21 12.647,22 0.229,23 1,24 3.93,25 3.93,26 11.235,27 6.033,28 3,29 2.765,30 10.61,31 0.241,32 5.001,33 10.381,34 1.468,35 1.468,36 4.108,37 3.858,38 15.558,40 0.019,41 12.93,42 6.115,43 10.868,44 6.821,45 12,46 8.671,47 9.244,48 9.244,49 9.244,50 3.787,51 12.568,52 8.969,53 8.969,54 14.29,55 7.59,56 28.437,57 1.16,59 6.004,60 8.057,61 9.202,62 10.416,63 14.679,64 1,65 16.554,66 18.895,67 5}