@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL2808

@attribute molecule_id {CHEMBL1089231,CHEMBL1089232,CHEMBL1089233,CHEMBL1089900,CHEMBL1089901,CHEMBL1090916,CHEMBL1091034,CHEMBL1091976,CHEMBL1092952,CHEMBL1093258,CHEMBL1093259,CHEMBL1093260,CHEMBL1093499,CHEMBL1093523,CHEMBL1093532,CHEMBL1093554,CHEMBL1093828,CHEMBL1093840,CHEMBL1093915,CHEMBL1093916,CHEMBL1094741,CHEMBL1094742,CHEMBL1095714,CHEMBL1095715,CHEMBL1096719,CHEMBL1097140,CHEMBL1097158,CHEMBL1097159,CHEMBL1097160,CHEMBL1097799,CHEMBL1098401,CHEMBL1098402,CHEMBL1098403,CHEMBL1098831,CHEMBL1098832,CHEMBL1098850,CHEMBL1099133,CHEMBL1209109,CHEMBL1209170,CHEMBL1209173,CHEMBL1243244,CHEMBL158781,CHEMBL1671971,CHEMBL169046,CHEMBL169264,CHEMBL170154,CHEMBL171744,CHEMBL171804,CHEMBL172521,CHEMBL172618,CHEMBL173898,CHEMBL189228,CHEMBL189532,CHEMBL189938,CHEMBL190901,CHEMBL191263,CHEMBL191419,CHEMBL191965,CHEMBL192837,CHEMBL194192,CHEMBL194353,CHEMBL194409,CHEMBL194573,CHEMBL194642,CHEMBL194679,CHEMBL194733,CHEMBL194866,CHEMBL195184,CHEMBL196106,CHEMBL196145,CHEMBL196335,CHEMBL196340,CHEMBL197265,CHEMBL197522,CHEMBL199255,CHEMBL2012762,CHEMBL2012763,CHEMBL2012764,CHEMBL2012765,CHEMBL2012766,CHEMBL2012767,CHEMBL2012768,CHEMBL202902,CHEMBL202953,CHEMBL203454,CHEMBL203606,CHEMBL203682,CHEMBL203824,CHEMBL204282,CHEMBL205770,CHEMBL205937,CHEMBL206192,CHEMBL206445,CHEMBL206626,CHEMBL206674,CHEMBL206738,CHEMBL206861,CHEMBL207019,CHEMBL207093,CHEMBL207103,CHEMBL207142,CHEMBL207188,CHEMBL207236,CHEMBL207382,CHEMBL207442,CHEMBL207690,CHEMBL207907,CHEMBL208567,CHEMBL208711,CHEMBL208967,CHEMBL209563,CHEMBL210429,CHEMBL210454,CHEMBL210613,CHEMBL210768,CHEMBL210917,CHEMBL210973,CHEMBL210990,CHEMBL214074,CHEMBL214275,CHEMBL214324,CHEMBL214465,CHEMBL214546,CHEMBL214687,CHEMBL214719,CHEMBL214727,CHEMBL214741,CHEMBL214777,CHEMBL214832,CHEMBL214867,CHEMBL214915,CHEMBL214942,CHEMBL214948,CHEMBL215036,CHEMBL215042,CHEMBL215108,CHEMBL215129,CHEMBL215130,CHEMBL215154,CHEMBL215167,CHEMBL215327,CHEMBL215445,CHEMBL215585,CHEMBL215598,CHEMBL215647,CHEMBL215663,CHEMBL215775,CHEMBL215789,CHEMBL215904,CHEMBL215959,CHEMBL216055,CHEMBL216645,CHEMBL2169907,CHEMBL217118,CHEMBL2171827,CHEMBL2171828,CHEMBL2171829,CHEMBL2171901,CHEMBL2171902,CHEMBL2171903,CHEMBL2171904,CHEMBL2171905,CHEMBL2171906,CHEMBL2171907,CHEMBL2171908,CHEMBL2171909,CHEMBL2171910,CHEMBL2171911,CHEMBL2171912,CHEMBL2171913,CHEMBL2171914,CHEMBL2171915,CHEMBL2171916,CHEMBL2171917,CHEMBL217376,CHEMBL217704,CHEMBL2204435,CHEMBL225828,CHEMBL225878,CHEMBL225879,CHEMBL225884,CHEMBL225935,CHEMBL225936,CHEMBL225937,CHEMBL225994,CHEMBL225995,CHEMBL225996,CHEMBL226047,CHEMBL226049,CHEMBL226096,CHEMBL226097,CHEMBL226098,CHEMBL226138,CHEMBL226408,CHEMBL226461,CHEMBL226462,CHEMBL2326408,CHEMBL2326845,CHEMBL23296,CHEMBL233369,CHEMBL242620,CHEMBL242622,CHEMBL242840,CHEMBL242842,CHEMBL243063,CHEMBL243494,CHEMBL243531,CHEMBL243718,CHEMBL243719,CHEMBL243927,CHEMBL245943,CHEMBL246144,CHEMBL251331,CHEMBL251538,CHEMBL253311,CHEMBL253312,CHEMBL253398,CHEMBL253521,CHEMBL253730,CHEMBL253731,CHEMBL254333,CHEMBL254335,CHEMBL254539,CHEMBL254541,CHEMBL254542,CHEMBL254945,CHEMBL258490,CHEMBL258491,CHEMBL258527,CHEMBL258528,CHEMBL258706,CHEMBL260632,CHEMBL263089,CHEMBL269277,CHEMBL269442,CHEMBL275911,CHEMBL307429,CHEMBL329471,CHEMBL352837,CHEMBL353882,CHEMBL364012,CHEMBL364666,CHEMBL365544,CHEMBL365750,CHEMBL366950,CHEMBL370175,CHEMBL370285,CHEMBL371990,CHEMBL372612,CHEMBL374804,CHEMBL376568,CHEMBL376595,CHEMBL377218,CHEMBL378074,CHEMBL379225,CHEMBL380249,CHEMBL380612,CHEMBL380711,CHEMBL380851,CHEMBL381064,CHEMBL381478,CHEMBL381570,CHEMBL382789,CHEMBL382792,CHEMBL382942,CHEMBL383646,CHEMBL383657,CHEMBL383728,CHEMBL383944,CHEMBL383945,CHEMBL383959,CHEMBL384246,CHEMBL384298,CHEMBL385052,CHEMBL385411,CHEMBL385489,CHEMBL385544,CHEMBL385546,CHEMBL386174,CHEMBL386260,CHEMBL386530,CHEMBL386603,CHEMBL386772,CHEMBL387484,CHEMBL387653,CHEMBL387997,CHEMBL389859,CHEMBL392996,CHEMBL393966,CHEMBL395491,CHEMBL397564,CHEMBL397612,CHEMBL398680,CHEMBL400937,CHEMBL403418,CHEMBL403958,CHEMBL404036,CHEMBL404265,CHEMBL404468,CHEMBL404469,CHEMBL407178,CHEMBL409212,CHEMBL409652,CHEMBL410486,CHEMBL411246,CHEMBL411317,CHEMBL411912,CHEMBL421115,CHEMBL422904,CHEMBL424831,CHEMBL425099,CHEMBL426289,CHEMBL427031,CHEMBL427040,CHEMBL427183,CHEMBL427697,CHEMBL429324,CHEMBL429818,CHEMBL434302,CHEMBL44,CHEMBL442416,CHEMBL442437,CHEMBL445689,CHEMBL446208,CHEMBL448111,CHEMBL450200,CHEMBL450409,CHEMBL451889,CHEMBL453391,CHEMBL453616,CHEMBL453617,CHEMBL454408,CHEMBL454409,CHEMBL454410,CHEMBL454596,CHEMBL454622,CHEMBL454623,CHEMBL455204,CHEMBL455205,CHEMBL455206,CHEMBL455432,CHEMBL456237,CHEMBL457037,CHEMBL457452,CHEMBL457977,CHEMBL458597,CHEMBL459472,CHEMBL459473,CHEMBL459562,CHEMBL459563,CHEMBL459905,CHEMBL460108,CHEMBL460111,CHEMBL460197,CHEMBL460198,CHEMBL461890,CHEMBL461891,CHEMBL462446,CHEMBL462447,CHEMBL463906,CHEMBL464189,CHEMBL465148,CHEMBL470040,CHEMBL470041,CHEMBL471608,CHEMBL471641,CHEMBL480298,CHEMBL480493,CHEMBL486197,CHEMBL486198,CHEMBL486808,CHEMBL486955,CHEMBL487001,CHEMBL488173,CHEMBL488174,CHEMBL488802,CHEMBL492243,CHEMBL492421,CHEMBL492440,CHEMBL492563,CHEMBL492637,CHEMBL492798,CHEMBL492844,CHEMBL492845,CHEMBL493033,CHEMBL493241,CHEMBL493242,CHEMBL493468,CHEMBL494073,CHEMBL494471,CHEMBL494674,CHEMBL494676,CHEMBL494843,CHEMBL495020,CHEMBL495173,CHEMBL495196,CHEMBL495197,CHEMBL495494,CHEMBL499550,CHEMBL502579,CHEMBL505445,CHEMBL505520,CHEMBL505808,CHEMBL506838,CHEMBL507805,CHEMBL510874,CHEMBL511891,CHEMBL512490,CHEMBL513949,CHEMBL514428,CHEMBL515852,CHEMBL516464,CHEMBL516657,CHEMBL517015,CHEMBL517245,CHEMBL517246,CHEMBL518000,CHEMBL518033,CHEMBL518171,CHEMBL520370,CHEMBL520883,CHEMBL521375,CHEMBL521398,CHEMBL521811,CHEMBL521866,CHEMBL521981,CHEMBL522039,CHEMBL522159,CHEMBL522370,CHEMBL522668,CHEMBL523211,CHEMBL524014,CHEMBL541472,CHEMBL549418,CHEMBL550035,CHEMBL550568,CHEMBL550847,CHEMBL550983,CHEMBL551981,CHEMBL554508,CHEMBL555373,CHEMBL558495,CHEMBL558496,CHEMBL561449,CHEMBL564506,CHEMBL572477,CHEMBL572484,CHEMBL572488,CHEMBL572706,CHEMBL573382,CHEMBL573383,CHEMBL573399,CHEMBL573587,CHEMBL573591,CHEMBL573603,CHEMBL573648,CHEMBL573649,CHEMBL573651,CHEMBL573677,CHEMBL573678,CHEMBL573679,CHEMBL573680,CHEMBL574070,CHEMBL574082,CHEMBL574086,CHEMBL574107,CHEMBL574298,CHEMBL574310,CHEMBL574311,CHEMBL574341,CHEMBL574342,CHEMBL574787,CHEMBL575000,CHEMBL575001,CHEMBL575007,CHEMBL575008,CHEMBL575439,CHEMBL575661,CHEMBL575664,CHEMBL575856,CHEMBL575857,CHEMBL576137,CHEMBL576924,CHEMBL577149,CHEMBL577573,CHEMBL577578,CHEMBL577580,CHEMBL577605,CHEMBL577607,CHEMBL577802,CHEMBL58076,CHEMBL584364,CHEMBL584566,CHEMBL584567,CHEMBL584568,CHEMBL585552,CHEMBL589613,CHEMBL590098,CHEMBL59030,CHEMBL590350,CHEMBL590351,CHEMBL590584,CHEMBL590586,CHEMBL59082,CHEMBL590828,CHEMBL591582,CHEMBL591815,CHEMBL592506,CHEMBL592985,CHEMBL593241,CHEMBL593267,CHEMBL593471,CHEMBL593472,CHEMBL593473,CHEMBL59359,CHEMBL593739,CHEMBL593740,CHEMBL593814,CHEMBL593884,CHEMBL593960,CHEMBL594050,CHEMBL594062,CHEMBL594063,CHEMBL594174,CHEMBL594175,CHEMBL594176,CHEMBL594288,CHEMBL594367,CHEMBL594757,CHEMBL594884,CHEMBL594983,CHEMBL594984,CHEMBL594994,CHEMBL595006,CHEMBL595007,CHEMBL595011,CHEMBL595012,CHEMBL595045,CHEMBL595113,CHEMBL595118,CHEMBL595119,CHEMBL595124,CHEMBL595125,CHEMBL595222,CHEMBL595224,CHEMBL595248,CHEMBL595249,CHEMBL595344,CHEMBL595345,CHEMBL595454,CHEMBL595455,CHEMBL595482,CHEMBL595483,CHEMBL595580,CHEMBL595689,CHEMBL595782,CHEMBL595804,CHEMBL595915,CHEMBL595917,CHEMBL595936,CHEMBL595937,CHEMBL596047,CHEMBL596157,CHEMBL596158,CHEMBL596233,CHEMBL596262,CHEMBL596357,CHEMBL596381,CHEMBL596591,CHEMBL596592,CHEMBL596593,CHEMBL600244,CHEMBL60079,CHEMBL600851,CHEMBL602446,CHEMBL603636,CHEMBL603743,CHEMBL60393,CHEMBL603956,CHEMBL604259,CHEMBL604479,CHEMBL604582,CHEMBL604701,CHEMBL604703,CHEMBL604797,CHEMBL604905,CHEMBL604907,CHEMBL605107,CHEMBL605314,CHEMBL605723,CHEMBL605730,CHEMBL606044,CHEMBL606139,CHEMBL606143,CHEMBL606157,CHEMBL606539,CHEMBL606756,CHEMBL606862,CHEMBL607090,CHEMBL608531,CHEMBL61124,CHEMBL611465,CHEMBL611466,CHEMBL611467,CHEMBL611734,CHEMBL611735,CHEMBL612005,CHEMBL612006,CHEMBL612007,CHEMBL61528,CHEMBL61766,CHEMBL62135,CHEMBL62136,CHEMBL90590}
@attribute SpMin2_Bh.v. numeric
@attribute SpMin2_Bh.e. numeric
@attribute Eig05_EA.bo. numeric
@attribute SM15_AEA.ri. numeric
@attribute SpMax5_Bh.p. numeric
@attribute SpMin5_Bh.i. numeric
@attribute SpMin5_Bh.e. numeric
@attribute SpMax5_Bh.v. numeric
@attribute SpMin2_Bh.i. numeric
@attribute piPC02 numeric
@attribute SM02_EA.bo. numeric
@attribute Eig11_EA.bo. numeric
@attribute Eig11_AEA.bo. numeric
@attribute Eig04_EA numeric
@attribute SM12_AEA.bo. numeric
@attribute SpMax5_Bh.i. numeric
@attribute SpMax5_Bh.e. numeric
@attribute SM04_EA.bo. numeric
@attribute SpMax2_Bh.i. numeric
@attribute P_VSA_MR_5 numeric
@attribute piPC03 numeric
@attribute nAB numeric
@attribute nCar numeric
@attribute SM03_AEA.bo. numeric
@attribute piPC05 numeric
@attribute SpMax2_Bh.e. numeric
@attribute SpMin1_Bh.p. numeric
@attribute SpMin5_Bh.v. numeric
@attribute DBI numeric
@attribute Eig02_EA.bo. numeric
@attribute SM12_AEA.ri. numeric
@attribute MATS5i numeric
@attribute Eig13_AEA.bo. numeric
@attribute Eta_sh_y numeric
@attribute piPC06 numeric
@attribute MATS5p numeric
@attribute SM04_AEA.bo. numeric
@attribute IAC numeric
@attribute TIC0 numeric
@attribute SpAD_EA.bo. numeric
@attribute SM02_AEA.bo. numeric
@attribute X2 numeric
@attribute SpMax4_Bh.p. numeric
@attribute Eig13_AEA.ed. numeric
@attribute Eig11_EA.ri. numeric
@attribute SM03_EA.bo. numeric
@attribute GGI1 numeric
@attribute Eig03_EA.ri. numeric
@attribute ATSC1p numeric
@attribute Eig11_AEA.ri. numeric
@attribute Eig08_EA.bo. numeric
@attribute Ui numeric
@attribute Eig12_EA.ed. numeric
@attribute SM07_AEA.ri. numeric
@attribute SM06_EA.bo. numeric
@attribute PCR numeric
@attribute SpMax4_Bh.v. numeric
@attribute SpMin5_Bh.p. numeric
@attribute Eig13_EA.bo. numeric
@attribute SpMax2_Bh.p. numeric
@attribute Eig02_AEA.bo. numeric
@attribute ATSC6m numeric
@attribute X2v numeric
@attribute SpMax5_Bh.m. numeric
@attribute GGI10 numeric
@attribute piPC01 numeric
@attribute pXC50 numeric

@data
{1 2.047,2 1.967,3 3.208,4 3.208,5 3.192,6 1.295,7 1.373,8 3.215,9 1.946,10 4.527,11 5.215,12 1.562,13 2.56,14 2.658,15 2.658,16 3.508,17 3.435,18 7.502,19 4.003,20 44.397,21 5.173,22 23,23 20,24 6.373,25 6.443,26 3.98,27 2.145,28 1.642,29 3.808,30 4.011,31 4.011,32 0.005,33 2.331,34 0.347,35 6.809,36 -0.123,37 7.716,38 80.513,39 80.513,40 69.767,41 5.116,42 14.187,43 3.382,44 3.414,45 1.079,46 5.147,47 7.5,48 2.846,49 4.409,50 2.081,51 2.224,52 3.755,53 2.396,54 2.396,55 10.077,56 1.579,57 3.388,58 1.624,59 1.259,60 3.918,61 4.372,62 24.253,63 7.066,64 3.337,65 0.21,66 3.861,67 6}
{0 CHEMBL1089232,1 2.085,2 1.994,3 3.271,4 3.271,5 3.426,6 1.479,7 1.506,8 3.406,9 1.986,10 4.61,11 5.298,12 1.622,13 2.586,14 2.81,15 2.81,16 3.573,17 3.535,18 7.683,19 4.05,20 28.921,21 5.207,22 23,23 20,24 6.464,25 6.487,26 4.056,27 2.147,28 1.692,29 4.183,30 4.568,31 4.568,32 0.061,33 2.356,34 0.297,35 6.873,36 -0.021,37 7.844,38 89.789,39 89.789,40 73.999,41 5.175,42 15.295,43 3.567,44 3.414,45 1.089,46 5.447,47 9,48 2.86,49 5.36,50 2.093,51 2.298,52 3.858,53 2.439,54 2.439,55 10.382,56 1.587,57 3.524,58 1.641,59 1.296,60 3.995,61 4.698,62 25.812,63 9.437,64 3.468,65 0.268,66 3.902,67 6.783}
{0 CHEMBL1089233,1 2.081,2 1.989,3 3.27,4 3.27,5 3.267,6 1.312,7 1.354,8 3.278,9 1.978,10 4.57,11 5.257,12 1.574,13 2.55,14 2.789,15 2.789,16 3.474,17 3.43,18 7.639,19 4.048,20 23.852,21 5.156,22 23,23 20,24 6.418,25 6.407,26 4.051,27 2.139,28 1.517,29 4,30 4.519,31 4.519,32 0.045,33 2.234,34 0.283,35 6.763,36 0.015,37 7.795,38 81.668,39 81.668,40 70.947,41 5.128,42 14.565,43 3.553,44 3.386,45 1.048,46 5.387,47 8.5,48 2.798,49 4.584,50 2.049,51 2.288,52 3.858,53 2.275,54 2.275,55 10.333,56 1.592,57 3.501,58 1.541,59 1.117,60 3.983,61 4.669,62 21.269,63 8.819,64 3.427,65 0.198,66 3.861,67 6}
{0 CHEMBL1089900,1 2.083,2 1.992,3 3.271,4 3.271,5 3.346,6 1.396,7 1.438,8 3.339,9 1.984,10 4.6,11 5.288,12 1.5,13 2.5,14 2.821,15 2.821,16 3.515,17 3.473,18 7.677,19 4.048,20 26.386,21 5.19,22 23,23 20,24 6.453,25 6.446,26 4.055,27 2.145,28 1.63,29 4.062,30 4.565,31 4.565,32 0.03,33 2.338,34 0.307,35 6.841,36 -0.026,37 7.835,38 85.795,39 85.795,40 72.59,41 5.158,42 15.092,43 3.557,44 3.414,45 1,46 5.447,47 9,48 2.844,49 4.974,50 2,51 2.313,52 3.858,53 2.275,54 2.275,55 10.376,56 1.585,57 3.513,58 1.597,59 1.269,60 3.994,61 4.695,62 22.309,63 9.218,64 3.444,65 0.227,66 3.882,67 6}
{0 CHEMBL1089901,1 2.085,2 1.995,3 3.271,4 3.271,5 3.369,6 1.423,7 1.471,8 3.371,9 1.984,10 4.6,11 5.288,12 1.643,13 2.601,14 2.736,15 2.736,16 3.545,17 3.497,18 7.681,19 4.053,20 26.386,21 5.198,22 23,23 20,24 6.453,25 6.481,26 4.056,27 2.145,28 1.65,29 4.062,30 4.564,31 4.564,32 -0.004,33 2.333,34 0.307,35 6.831,36 -0.148,37 7.836,38 85.795,39 85.795,40 72.576,41 5.158,42 15.036,43 3.568,44 3.414,45 1.105,46 5.447,47 8.5,48 2.859,49 4.974,50 2.111,51 2.272,52 3.858,53 2.412,54 2.412,55 10.392,56 1.603,57 3.509,58 1.631,59 1.262,60 3.987,61 4.694,62 27.754,63 9.159,64 3.458,65 0.231,66 3.882,67 6}
{0 CHEMBL1090916,1 2.079,2 1.987,3 3.272,4 3.272,5 3.353,6 1.402,7 1.446,8 3.348,9 1.976,10 4.61,11 5.298,12 1.618,13 2.582,14 2.814,15 2.814,16 3.534,17 3.484,18 7.687,19 4.05,20 42.791,21 5.218,22 23,23 20,24 6.464,25 6.471,26 4.052,27 2.145,28 1.645,29 4.183,30 4.565,31 4.565,32 0.005,33 2.332,34 0.299,35 6.846,36 -0.098,37 7.845,38 91.582,39 91.582,40 73.608,41 5.175,42 15.081,43 3.54,44 3.414,45 1.092,46 5.447,47 9,48 2.906,49 4.943,50 2.095,51 2.3,52 3.858,53 2.402,54 2.402,55 10.393,56 1.585,57 3.494,58 1.627,59 1.26,60 3.985,61 4.695,62 27.066,63 9.028,64 3.449,65 0.26,66 3.902,67 6}
{0 CHEMBL1091034,1 2.078,2 1.972,3 3.305,4 3.305,5 3.58,6 1.558,7 1.554,8 3.524,9 1.98,10 4.7,11 5.389,12 1.806,13 2.721,14 2.839,15 2.839,16 3.661,17 3.656,18 7.76,19 4.041,20 5.73,21 5.185,22 24,23 24,24 6.553,25 6.233,26 4.065,27 2.091,28 1.736,29 4.583,30 4.668,31 4.668,32 0.002,33 2.5,34 0.246,35 6.385,36 0.024,37 7.927,38 104.652,39 104.652,40 82.312,41 5.278,42 16.751,43 3.843,44 3.478,45 1.208,46 5.557,47 10,48 2.731,49 6.299,50 2.221,51 2.649,52 4.087,53 2.584,54 2.584,55 10.483,56 1.44,57 3.811,58 1.693,59 1.5,60 4.066,61 4.807,62 44.694,63 12.68,64 3.681,65 0.264,66 4.025,67 8}
{0 CHEMBL1091976,1 2.085,2 1.986,3 3.429,4 3.429,5 3.592,6 1.563,7 1.558,8 3.531,9 1.993,10 4.727,11 5.416,12 1.881,13 2.78,14 2.843,15 2.843,16 3.668,17 3.667,18 7.798,19 4.046,20 14.555,21 5.226,22 24,23 24,24 6.583,25 6.252,26 4.069,27 2.093,28 1.741,29 4.637,30 4.668,31 4.668,32 0.055,33 2.59,34 0.266,35 6.419,36 0.081,37 7.964,38 108.458,39 108.458,40 84.005,41 5.303,42 17.178,43 3.843,44 3.588,45 1.325,46 5.608,47 10,48 2.763,49 6.684,50 2.339,51 2.481,52 4.087,53 3.035,54 3.035,55 10.531,56 1.442,57 3.812,58 1.697,59 1.621,60 4.074,61 4.807,62 46.492,63 13.065,64 3.716,65 0.298,66 4.043,67 7.9}
{0 CHEMBL1092952,1 2.039,2 1.921,3 3.449,4 3.449,5 3.552,6 1.531,7 1.538,8 3.505,9 1.915,10 4.707,11 5.396,12 1.837,13 2.748,14 2.843,15 2.843,16 3.681,17 3.668,18 7.781,19 4.056,20 16.248,21 5.199,22 23,23 21,24 6.566,25 6.184,26 4.07,27 2.085,28 1.786,29 4.637,30 4.668,31 4.668,32 -0.045,33 2.503,34 0.271,35 6.399,36 -0.02,37 7.949,38 112.183,39 112.183,40 82.312,41 5.282,42 16.925,43 3.841,44 3.479,45 1.226,46 5.608,47 10.5,48 2.75,49 6.247,50 2.237,51 2.481,52 4.044,53 2.925,54 2.925,55 10.514,56 1.431,57 3.806,58 1.775,59 1.5,60 4.037,61 4.807,62 44.9,63 12.655,64 3.731,65 0.281,66 4.016,67 7.1}
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{0 CHEMBL189228,1 1.996,2 1.889,3 2.766,4 2.766,5 2.985,6 1.228,7 1.248,8 3.005,9 1.86,10 4.363,11 5.05,12 1.5,13 2.5,14 2.342,15 2.342,16 3.326,17 3.265,18 7.199,19 3.912,20 3.124,21 4.954,22 18,23 18,24 6.21,25 6.048,26 3.885,27 2.019,28 1.491,29 2.55,30 3.633,31 3.633,32 0.001,33 1.779,34 0.331,35 6.175,36 0.04,37 7.514,38 68.228,39 68.228,40 62.258,41 5.007,42 11.864,43 3.521,44 3.244,45 1,46 4.691,47 4,48 2.558,49 3.971,50 2,51 1.921,52 3.7,53 2.136,54 2.136,55 9.618,56 1.353,57 3.539,58 1.515,59 0.675,60 3.808,61 4.06,62 21.591,63 6.251,64 3.123,65 0.074,66 3.784,67 6.561}
{0 CHEMBL189532,1 1.962,2 1.868,3 2.448,4 2.448,5 2.86,6 1.044,7 1.084,8 2.859,9 1.844,10 4.127,11 4.812,12 0.327,13 1.589,14 2.186,15 2.186,16 3.066,17 3.02,18 6.962,19 3.897,20 14.055,21 4.7,22 12,23 12,24 5.998,25 5.731,26 3.872,27 2.011,28 1.345,29 2.449,30 3.609,31 3.609,32 0.002,33 1,34 0.349,35 5.82,36 0.007,37 7.31,38 61.759,39 61.759,40 49.329,41 4.787,42 9.791,43 3.212,44 2.263,45 0.238,46 4.559,47 4,48 2.463,49 3.187,50 1.218,51 1.5,52 3.322,53 -0.5,54 -0.5,55 9.394,56 1.339,57 3.194,58 1.377,59 -0.429,60 3.819,61 4.009,62 16.916,63 5.539,64 3.149,65 0.025,66 3.555,67 6.14}
{0 CHEMBL189938,1 2.015,2 1.91,3 2.781,4 2.781,5 3.035,6 1.348,7 1.388,8 3.043,9 1.881,10 4.376,11 5.063,12 1.5,13 2.5,14 2.413,15 2.413,16 3.339,17 3.277,18 7.197,19 3.923,20 5.23,21 4.947,22 18,23 18,24 6.224,25 6.002,26 3.893,27 2.019,28 1.583,29 2.739,30 3.63,31 3.63,32 0.042,33 1.903,34 0.319,35 6.081,36 0.056,37 7.522,38 71.888,39 71.888,40 63.676,41 5.027,42 12.292,43 3.556,44 3.247,45 1,46 4.691,47 4.5,48 2.558,49 4.339,50 2,51 2.042,52 3.7,53 2.136,54 2.136,55 9.6,56 1.347,57 3.578,58 1.602,59 0.709,60 3.834,61 4.033,62 24.723,63 6.652,64 3.143,65 0.091,66 3.807,67 7.301}
{0 CHEMBL190901,1 2.014,2 1.91,3 2.733,4 2.733,5 3.027,6 1.348,7 1.388,8 3.023,9 1.881,10 4.363,11 5.05,12 1.5,13 2.5,14 2.407,15 2.407,16 3.241,17 3.174,18 7.187,19 3.922,20 5.23,21 4.925,22 18,23 18,24 6.21,25 5.986,26 3.891,27 2.012,28 1.553,29 2.55,30 3.61,31 3.61,32 0.055,33 1.897,34 0.322,35 6.042,36 0.052,37 7.51,38 69.605,39 69.605,40 62.514,41 5.007,42 12.123,43 3.558,44 3.247,45 1,46 4.691,47 4.5,48 2.502,49 3.644,50 2,51 2.042,52 3.7,53 2.136,54 2.136,55 9.589,56 1.35,57 3.578,58 1.573,59 0.578,60 3.835,61 4.011,62 21.074,63 6.866,64 3.349,65 0.091,66 3.784,67 6.886}
{0 CHEMBL191263,1 1.972,2 1.869,3 2.449,4 2.449,5 2.976,6 1.12,7 1.189,8 2.992,9 1.844,10 4.143,11 4.828,12 0.645,13 1.773,14 2.251,15 2.251,16 3.312,17 3.248,18 6.975,19 3.903,20 14.055,21 4.727,22 12,23 12,24 6.015,25 5.753,26 3.878,27 2.019,28 1.491,29 2.646,30 3.629,31 3.629,32 -0.009,33 1,34 0.345,35 5.868,36 0.007,37 7.326,38 63.953,39 63.953,40 50.492,41 4.812,42 9.96,43 3.213,44 2.45,45 0.499,46 4.559,47 4,48 2.491,49 3.781,50 1.46,51 1.5,52 3.322,53 0.302,54 0.302,55 9.406,56 1.336,57 3.196,58 1.477,59 -0.416,60 3.806,61 4.032,62 20.174,63 5.324,64 3.076,65 0.041,66 3.584,67 6.523}
{0 CHEMBL191419,1 1.972,2 1.869,3 2.447,4 2.447,5 2.915,6 1.116,7 1.187,8 2.906,9 1.844,10 4.127,11 4.812,12 0.338,13 1.735,14 2.238,15 2.238,16 3.22,17 3.128,18 6.966,19 3.902,20 3.124,21 4.71,22 12,23 12,24 5.998,25 5.733,26 3.878,27 2.019,28 1.491,29 2.449,30 3.629,31 3.629,32 0.016,33 0.917,34 0.361,35 5.834,36 0.006,37 7.31,38 60.317,39 60.317,40 49.133,41 4.787,42 9.747,43 3.005,44 2.43,45 0.265,46 4.559,47 4,48 2.474,49 3.431,50 1.269,51 1.5,52 3.322,53 0.121,54 0.121,55 9.399,56 1.346,57 3.024,58 1.477,59 -0.51,60 3.806,61 4.032,62 18.667,63 5.139,64 2.937,65 0.025,66 3.555,67 6.24}
{0 CHEMBL191965,1 2.163,2 2.065,3 3.197,4 3.197,5 3.335,6 1.428,7 1.459,8 3.356,9 2.039,10 4.691,11 5.38,12 2.223,13 3.171,14 3.21,15 3.21,16 3.568,17 3.549,18 7.516,19 4.084,20 78.297,21 5.179,22 12,23 12,24 6.718,25 6.174,26 4.057,27 2.159,28 1.698,29 5.568,30 4.148,31 4.148,32 -0.188,33 2.664,34 0.281,35 6.418,36 -0.178,37 8.099,38 119.053,39 119.053,40 90.915,41 5.464,42 21.378,43 3.691,44 4.422,45 1.812,46 5.472,47 14.5,48 3.26,49 10.034,50 2.845,51 2.79,52 3.459,53 4.491,54 4.491,55 9.975,56 1.25,57 3.686,58 1.707,59 1.695,60 4.002,61 4.84,62 89.391,63 15.062,64 3.474,65 0.413,66 4.111,67 8.699}
{0 CHEMBL192837,1 2.162,2 2.064,3 3.13,4 3.13,5 3.409,6 1.487,7 1.528,8 3.408,9 2.038,10 4.575,11 5.263,12 1.695,13 2.664,14 3.208,15 3.208,16 3.585,17 3.546,18 7.43,19 4.083,20 63.181,21 5.109,22 12,23 12,24 6.601,25 6.075,26 4.055,27 2.163,28 1.721,29 4.796,30 4.143,31 4.143,32 -0.142,33 2.525,34 0.265,35 6.237,36 -0.132,37 7.992,38 101.388,39 101.388,40 80.008,41 5.338,42 18.598,43 3.686,44 4.285,45 1.54,46 5.366,47 12.5,48 3.305,49 9.344,50 2.541,51 2.649,52 3.17,53 3.371,54 3.371,55 9.916,56 1.242,57 3.68,58 1.704,59 1.527,60 4.001,61 4.84,62 82.843,63 14.266,64 3.438,65 0.38,66 3.97,67 6.495}
{0 CHEMBL194192,1 1.919,2 1.786,3 2.151,4 2.151,5 3.263,6 1.35,7 1.402,8 3.25,9 1.757,10 3.98,11 4.663,12 0.177,13 1.316,14 2.096,15 2.096,16 3.458,17 3.401,18 6.771,19 3.826,20 37.45,21 4.469,22 6,23 6,24 6,25 5.38,26 3.801,27 2.152,28 1.612,29 3.873,30 3.689,31 3.689,32 -0.166,33 0.895,34 0.217,35 5.54,36 -0.162,37 7.362,38 64.823,39 64.823,40 45.497,41 4.775,42 10.677,43 3.285,44 2.703,45 0.157,46 4.677,47 6.5,48 2.505,49 5.746,50 1.146,51 1.526,52 2.585,53 -0.618,54 -0.618,55 9.232,56 1.183,57 3.278,58 1.588,59 -0.34,60 3.704,61 4.402,62 42.189,63 7.834,64 3.234,65 0.049,66 3.466,67 4.301}
{0 CHEMBL194353,1 2.11,2 1.995,3 2.826,4 2.826,5 3.319,6 1.406,7 1.465,8 3.321,9 1.962,10 4.317,11 5.004,12 1.5,13 2.5,14 2.445,15 2.445,16 3.554,17 3.492,18 7.102,19 4.028,20 63.112,21 4.84,22 12,23 12,24 6.309,25 5.736,26 3.993,27 2.156,28 1.692,29 4,30 3.846,31 3.846,32 -0.111,33 2.047,34 0.159,35 5.797,36 -0.111,37 7.668,38 83.295,39 83.295,40 64.288,41 5.094,42 14.344,43 3.647,44 3.425,45 1.179,46 4.879,47 7.5,48 3.243,49 7.776,50 2.18,51 1.832,52 3,53 2.23,54 2.23,55 9.542,56 1.223,57 3.631,58 1.68,59 1.011,60 3.933,61 4.573,62 58.715,63 11.327,64 3.371,65 0.161,66 3.784,67 6.735}
{0 CHEMBL194409,1 2.164,2 2.054,3 2.658,4 2.658,5 3.267,6 1.356,7 1.414,8 3.25,9 2.016,10 4.241,11 4.927,12 1.526,13 2.524,14 2.541,15 2.541,16 3.467,17 3.403,18 6.97,19 4.077,20 61.006,21 4.73,22 6,23 6,24 6.281,25 5.659,26 4.039,27 2.184,28 1.622,29 3.808,30 3.695,31 3.695,32 -0.098,33 1.732,34 0.343,35 5.819,36 -0.083,37 7.64,38 83.296,39 83.296,40 60.361,41 5.066,42 14.511,43 3.314,44 3.446,45 1.258,46 4.924,47 9,48 3.131,49 7.547,50 2.261,51 2,52 2.322,53 2.26,54 2.26,55 9.364,56 1.133,57 3.317,58 1.597,59 0.644,60 3.967,61 4.413,62 52.431,63 12.051,64 3.234,65 0.12,66 3.689,67 6.495}
{0 CHEMBL194573,1 2.102,2 1.99,3 2.935,4 2.935,5 3.318,6 1.404,7 1.458,8 3.326,9 1.961,10 4.369,11 5.056,12 1.51,13 2.511,14 2.447,15 2.447,16 3.549,17 3.5,18 7.166,19 4.026,20 61.006,21 4.902,22 12,23 12,24 6.366,25 5.795,26 3.995,27 2.156,28 1.679,29 4.243,30 3.977,31 3.977,32 -0.108,33 2.283,34 0.187,35 5.866,36 -0.108,37 7.73,38 87.093,39 87.093,40 67.272,41 5.142,42 14.813,43 3.646,44 3.486,45 1.212,46 4.966,47 8,48 3.243,49 7.564,50 2.214,51 1.903,52 3.17,53 2.403,54 2.403,55 9.62,56 1.222,57 3.632,58 1.673,59 1.197,60 3.932,61 4.704,62 59.68,63 11.229,64 3.397,65 0.173,66 3.829,67 6.574}
{0 CHEMBL194642,1 2.167,2 2.064,3 2.658,4 2.658,5 3.269,6 1.36,7 1.423,8 3.251,9 2.03,10 4.27,11 4.956,12 1.526,13 2.525,14 2.555,15 2.555,16 3.47,17 3.404,18 7.021,19 4.086,20 65.647,21 4.738,22 6,23 6,24 6.327,25 5.649,26 4.05,27 2.184,28 1.635,29 4.183,30 3.691,31 3.691,32 -0.17,33 1.717,34 0.265,35 5.816,36 -0.147,37 7.7,38 86.313,39 86.313,40 61.337,41 5.097,42 15.137,43 3.349,44 3.441,45 1.271,46 5.007,47 10.5,48 3.248,49 7.902,50 2.274,51 2,52 2.322,53 2.223,54 2.223,55 9.427,56 1.134,57 3.353,58 1.602,59 0.562,60 3.982,61 4.456,62 54.313,63 12.721,64 3.234,65 0.161,66 3.714,67 6.638}
{0 CHEMBL194679,1 2.169,2 2.065,3 2.717,4 2.717,5 3.269,6 1.359,7 1.424,8 3.247,9 2.03,10 4.284,11 4.97,12 1.526,13 2.589,14 2.631,15 2.631,16 3.467,17 3.396,18 7.028,19 4.085,20 63.541,21 4.769,22 6,23 6,24 6.344,25 5.629,26 4.05,27 2.182,28 1.631,29 4.359,30 3.742,31 3.742,32 -0.152,33 2.038,34 0.265,35 5.768,36 -0.13,37 7.718,38 84.592,39 84.592,40 62.365,41 5.115,42 14.964,43 3.347,44 3.409,45 1.342,46 4.997,47 10,48 3.243,49 7.629,50 2.341,51 2,52 2.585,53 2.874,54 2.874,55 9.441,56 1.135,57 3.362,58 1.597,59 0.982,60 3.982,61 4.605,62 52.022,63 12.418,64 3.229,65 0.124,66 3.738,67 5.824}
{0 CHEMBL194733,1 2.081,2 1.962,3 2.552,4 2.552,5 3.281,6 1.37,7 1.436,8 3.268,9 1.929,10 4.277,11 4.963,12 1.5,13 2.5,14 2.502,15 2.502,16 3.48,17 3.415,18 7.043,19 4.001,20 42.728,21 4.808,22 12,23 12,24 6.249,25 5.692,26 3.964,27 2.158,28 1.652,29 3.464,30 3.703,31 3.703,32 -0.172,33 2.013,34 0.231,35 5.742,36 -0.16,37 7.592,38 77.323,39 77.323,40 61.548,41 5.043,42 13.508,43 3.569,44 3.369,45 1,46 4.783,47 6.5,48 2.847,49 7.028,50 2,51 1.786,52 3,53 2.275,54 2.275,55 9.453,56 1.247,57 3.561,58 1.614,59 1,60 3.898,61 4.424,62 55.401,63 10.414,64 3.277,65 0.14,66 3.738,67 6.699}
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{0 CHEMBL202902,1 1.978,2 1.876,3 2.791,4 2.791,5 2.893,6 0.981,7 1.025,8 2.868,9 1.847,10 4.263,11 4.949,12 0.839,13 1.998,14 2.574,15 2.574,16 3.196,17 3.143,18 7.293,19 3.917,20 15.519,21 4.727,22 12,23 12,24 6.262,25 5.577,26 3.889,27 2.073,28 1.315,29 5.339,30 4.151,31 4.151,32 -0.098,33 0.881,34 0.159,35 5.758,36 -0.004,37 7.687,38 80.507,39 80.507,40 55.673,41 4.942,42 13.259,43 3.254,44 3.062,45 0.634,46 5.255,47 9.5,48 2.456,49 4.481,50 1.622,51 1.5,52 3.17,53 -1.287,54 -1.287,55 10.019,56 1.304,57 3.279,58 1.276,59 -0.964,60 3.811,61 4.94,62 23.222,63 7.508,64 3.216,65 0.194,66 3.611,67 7}
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{0 CHEMBL207236,1 2.018,2 1.9,3 2.466,4 2.466,5 3.208,6 1.293,7 1.33,8 3.233,9 1.866,10 4.259,11 4.945,12 1.208,13 2.249,14 2.357,15 2.357,16 3.479,17 3.426,18 7.19,19 3.961,20 33.643,21 4.865,22 16,23 13,24 6.122,25 5.965,26 3.92,27 2.048,28 1.575,29 4.243,30 3.635,31 3.635,32 -0.136,33 1.535,34 0.265,35 6.26,36 -0.195,37 7.448,38 84.258,39 84.258,40 56.851,41 4.905,42 12.327,43 3.433,44 2.878,45 0.957,46 4.832,47 5.5,48 2.638,49 5.14,50 1.964,51 1.64,52 3.17,53 1.429,54 1.429,55 9.804,56 1.401,57 3.42,58 1.648,59 0.455,60 3.837,61 4.267,62 32.619,63 6.657,64 3.304,65 0.136,66 3.664,67 6.429}
{0 CHEMBL207382,1 1.99,2 1.904,3 2.928,4 2.928,5 3.281,6 1.34,7 1.375,8 3.3,9 1.886,10 4.474,11 5.162,12 1.58,13 2.578,14 2.686,15 2.686,16 3.509,17 3.481,18 7.418,19 4.047,20 39.302,21 5.082,22 16,23 13,24 6.37,25 6.212,26 4.023,27 2.045,28 1.593,29 4.472,30 4.057,31 4.057,32 -0.165,33 2.157,34 0.364,35 6.567,36 -0.238,37 7.716,38 96.119,39 96.119,40 69.56,41 5.13,42 15.07,43 3.44,44 3.449,45 1.21,46 5.173,47 7.5,48 2.727,49 5.357,50 2.226,51 2.133,52 3.459,53 2.823,54 2.823,55 10.026,56 1.408,57 3.435,58 1.654,59 1.063,60 3.935,61 4.471,62 33.206,63 7.771,64 3.346,65 0.218,66 3.85,67 5.523}
{0 CHEMBL207442,1 2.032,2 1.93,3 2.903,4 2.903,5 3.248,6 1.34,7 1.372,8 3.272,9 1.902,10 4.379,11 5.066,12 1.4,13 2.412,14 2.447,15 2.447,16 3.502,17 3.469,18 7.296,19 3.988,20 36.178,21 4.943,22 16,23 13,24 6.261,25 6.056,26 3.955,27 2.051,28 1.61,29 4.743,30 3.73,31 3.73,32 -0.124,33 2.007,34 0.304,35 6.376,36 -0.171,37 7.59,38 97.582,39 97.582,40 64.039,41 5.037,42 14.352,43 3.439,44 3.158,45 1.114,46 5.017,47 7.5,48 2.727,49 5.706,50 2.141,51 1.881,52 3.322,53 2.345,54 2.345,55 9.886,56 1.412,57 3.429,58 1.656,59 0.874,60 3.878,61 4.267,62 36.742,63 7.562,64 3.363,65 0.169,66 3.784,67 5.585}
{0 CHEMBL207690,1 2.009,2 1.921,3 2.928,4 2.928,5 3.328,6 1.374,7 1.402,8 3.334,9 1.898,10 4.486,11 5.173,12 1.599,13 2.591,14 2.56,15 2.56,16 3.553,17 3.516,18 7.412,19 4.052,20 41.837,21 5.063,22 16,23 13,24 6.382,25 6.203,26 4.026,27 2.045,28 1.611,29 4.583,30 4.025,31 4.025,32 -0.159,33 2.185,34 0.352,35 6.551,36 -0.231,37 7.722,38 100.029,39 100.029,40 70.601,41 5.147,42 15.561,43 3.446,44 3.457,45 1.255,46 5.173,47 8,48 2.727,49 5.706,50 2.259,51 2.349,52 3.459,53 2.843,54 2.843,55 10.005,56 1.404,57 3.444,58 1.655,59 1.106,60 3.942,61 4.457,62 35.915,63 8.156,64 3.371,65 0.235,66 3.871,67 6.745}
{0 CHEMBL207907,1 2.038,2 1.952,3 2.928,4 2.928,5 3.378,6 1.486,7 1.521,8 3.372,9 1.938,10 4.538,11 5.226,12 1.492,13 2.493,14 2.461,15 2.461,16 3.6,17 3.547,18 7.534,19 4.111,20 40.611,21 5.168,22 20,23 15,24 6.386,25 6.329,26 4.099,27 2.062,28 1.714,29 4.637,30 4.501,31 4.501,32 -0.154,33 2.14,34 0.316,35 6.717,36 -0.22,37 7.727,38 100.128,39 100.128,40 72.525,41 5.147,42 15.364,43 3.454,44 3.25,45 1.21,46 5.223,47 7.5,48 2.727,49 5.946,50 2.221,51 2.465,52 3.585,53 2.684,54 2.684,55 10.199,56 1.504,57 3.455,58 1.72,59 0.998,60 3.992,61 4.548,62 35.882,63 8.196,64 3.405,65 0.193,66 3.892,67 6.086}
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{0 CHEMBL208711,1 2.033,2 1.932,3 2.928,4 2.928,5 3.283,6 1.38,7 1.445,8 3.292,9 1.904,10 4.391,11 5.078,12 1.429,13 2.437,14 2.514,15 2.514,16 3.54,17 3.487,18 7.303,19 3.993,20 47.109,21 4.957,22 16,23 13,24 6.275,25 6.069,26 3.958,27 2.053,28 1.698,29 4.848,30 3.699,31 3.699,32 -0.147,33 2.018,34 0.294,35 6.392,36 -0.2,37 7.601,38 101.237,39 101.237,40 65.104,41 5.056,42 14.531,43 3.445,44 3.169,45 1.098,46 5.017,47 7.5,48 2.727,49 6.049,50 2.124,51 1.88,52 3.322,53 2.275,54 2.275,55 9.888,56 1.402,57 3.439,58 1.683,59 0.883,60 3.88,61 4.267,62 41.195,63 7.717,64 3.358,65 0.206,66 3.807,67 6.959}
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{0 CHEMBL2171829,1 2.038,2 1.948,3 3.085,4 3.085,5 3.244,6 1.373,7 1.402,8 3.256,9 1.925,10 4.449,11 5.136,12 1.5,13 2.5,14 2.581,15 2.581,16 3.463,17 3.433,18 7.341,19 3.963,20 17.019,21 5.061,22 18,23 18,24 6.317,25 6.256,26 3.938,27 2.074,28 1.597,29 3.24,30 3.944,31 3.944,32 -0.098,33 2.043,34 0.41,35 6.598,36 -0.101,37 7.643,38 72.572,39 72.572,40 66.6,41 5.085,42 13.304,43 3.356,44 3.346,45 1,46 5.017,47 6.5,48 2.696,49 5.006,50 2,51 2.17,52 3.7,53 1.996,54 1.996,55 9.817,56 1.45,57 3.355,58 1.613,59 0.831,60 3.888,61 4.285,62 30.409,63 7.576,64 3.349,65 0.192,66 3.829,67 5.658}
{0 CHEMBL2171901,1 1.998,2 1.892,3 2.379,4 2.379,5 2.915,6 1.019,7 1.054,8 2.986,9 1.869,10 4.159,11 4.844,12 -0.588,13 1,14 2.48,15 2.48,16 3.257,17 3.215,18 7.085,19 3.892,20 3.124,21 4.771,22 12,23 12,24 6.025,25 5.897,26 3.869,27 2.094,28 1.377,29 2.646,30 3.934,31 3.934,32 -0.153,33 0.926,34 0.439,35 6.213,36 -0.241,37 7.364,38 52.691,39 52.691,40 48.978,41 4.779,42 9.334,43 3.227,44 2.222,45 -0.442,46 4.808,47 4,48 2.505,49 2.77,50 0.529,51 1.578,52 3.459,53 -1.39,54 -1.39,55 9.612,56 1.396,57 3.241,58 1.387,59 -1.203,60 3.766,61 4.262,62 18.298,63 4.847,64 3.116,66 3.526,67 5.215}
{0 CHEMBL2171902,1 1.981,2 1.875,3 2.305,4 2.305,5 2.807,6 0.905,7 0.96,8 2.805,9 1.853,10 4.025,11 4.71,12 -0.8,13 0.926,14 2.156,15 2.156,16 3.039,17 2.988,18 6.925,19 3.826,20 3.124,21 4.663,22 12,23 12,24 5.89,25 5.793,26 3.803,27 2.021,28 1.194,29 2,30 3.783,31 3.783,32 -0.154,33 0.605,34 0.43,35 6.004,36 -0.243,37 7.222,38 45.894,39 45.894,40 43.265,41 4.654,42 8.435,43 3.195,44 2,45 -0.589,46 4.59,47 3.5,48 2.505,49 2.861,50 0.445,51 1.105,52 3.17,53 -2.125,54 -2.125,55 9.426,56 1.387,57 3.207,58 1.194,59 -1.311,60 3.743,61 4.144,62 18.11,63 4.59,64 2.858,66 3.401,67 5.387}
{0 CHEMBL2171903,1 1.991,2 1.891,3 2.311,4 2.311,5 2.91,6 1,7 1.056,8 2.918,9 1.868,10 4.043,11 4.727,12 -0.597,13 0.926,14 2.258,15 2.258,16 3.16,17 3.112,18 6.939,19 3.845,20 3.124,21 4.691,22 12,23 12,24 5.909,25 5.82,26 3.82,27 2.033,28 1.344,29 2.236,30 3.79,31 3.79,32 -0.155,33 0.625,34 0.408,35 6.06,36 -0.202,37 7.238,38 49.435,39 49.435,40 44.47,41 4.682,42 8.605,43 3.227,44 2.121,45 -0.463,46 4.59,47 3.5,48 2.505,49 3.231,50 0.489,51 1.105,52 3.17,53 -1.384,54 -1.384,55 9.438,56 1.38,57 3.24,58 1.328,59 -1.187,60 3.767,61 4.153,62 19.545,63 4.898,64 2.98,66 3.434,67 5}
{0 CHEMBL2171904,1 1.988,2 1.888,3 2.342,4 2.342,5 2.905,6 0.988,7 0.999,8 2.943,9 1.867,10 4.111,11 4.796,12 -0.574,13 0.951,14 2.48,15 2.48,16 3.146,17 3.141,18 7.006,19 3.843,20 3.124,21 4.745,22 12,23 12,24 5.993,25 5.872,26 3.824,27 2.03,28 1.27,29 2.646,30 3.836,31 3.836,32 -0.15,33 0.664,34 0.444,35 6.165,36 -0.199,37 7.326,38 50.626,39 50.626,40 47.637,41 4.754,42 9.334,43 3.227,44 2.222,45 -0.443,46 4.705,47 4,48 2.506,49 3.01,50 0.538,51 1.537,52 3.322,53 -1.39,54 -1.39,55 9.509,56 1.386,57 3.241,58 1.31,59 -1.182,60 3.766,61 4.208,62 18.782,63 4.925,64 3.061,66 3.497,67 4.854}
{0 CHEMBL2171905,1 1.992,2 1.894,3 2.342,4 2.342,5 3.068,6 1.157,7 1.222,8 3.069,9 1.872,10 4.111,11 4.796,12 -0.574,13 0.951,14 2.48,15 2.48,16 3.286,17 3.227,18 7.006,19 3.853,20 11.95,21 4.745,22 12,23 12,24 5.993,25 5.872,26 3.832,27 2.036,28 1.451,29 2.646,30 3.836,31 3.836,32 -0.121,33 0.664,34 0.437,35 6.165,36 -0.162,37 7.326,38 50.455,39 50.455,40 47.637,41 4.754,42 9.334,43 3.231,44 2.222,45 -0.446,46 4.705,47 4,48 2.528,49 3.259,50 0.541,51 1.537,52 3.322,53 -1.39,54 -1.39,55 9.509,56 1.386,57 3.241,58 1.414,59 -1.182,60 3.776,61 4.208,62 20.006,63 5.176,64 3.097,66 3.497,67 5.31}
{0 CHEMBL2171906,1 1.883,2 1.779,3 2.791,4 2.791,5 2.862,6 0.93,7 0.981,8 2.849,9 1.758,10 4.234,11 4.92,12 0.59,13 1.878,14 2.552,15 2.552,16 3.196,17 3.143,18 7.164,19 3.847,20 18.643,21 4.82,22 12,23 12,24 6.237,25 5.945,26 3.826,27 2.123,28 1.194,29 4.637,30 4.081,31 4.081,32 -0.096,33 0.786,34 0.301,35 6.31,36 -0.095,37 7.64,38 67.699,39 67.699,40 54.764,41 4.934,42 12.87,43 3.134,44 3.034,45 0.446,46 5.066,47 8,48 2.517,49 3.792,50 1.461,51 1.643,52 3,53 -0.69,54 -0.69,55 9.723,56 1.345,57 3.168,58 1.276,59 -0.823,60 3.723,61 4.618,62 17.488,63 5.848,64 3.216,66 3.584,67 5.387}
{0 CHEMBL2171907,1 1.984,2 1.888,3 2.791,4 2.791,5 2.825,6 0.921,7 0.97,8 2.834,9 1.869,10 4.248,11 4.934,12 0.67,13 1.92,14 2.726,15 2.726,16 3.196,17 3.143,18 7.156,19 3.881,20 18.643,21 4.796,22 12,23 12,24 6.251,25 5.816,26 3.862,27 2.034,28 1.196,29 4.637,30 4.017,31 4.017,32 -0.089,33 0.91,34 0.293,35 6.133,36 -0.045,37 7.647,38 71.616,39 71.616,40 55.935,41 4.956,42 13.299,43 3.134,44 3.038,45 0.507,46 5.066,47 8.5,48 2.653,49 3.868,50 1.518,51 1.865,52 3,53 0.341,54 0.341,55 9.683,56 1.34,57 3.168,58 1.276,59 -0.61,60 3.784,61 4.499,62 17.854,63 5.851,64 3.216,65 0.074,66 3.611,67 5.377}
{0 CHEMBL2171908,1 1.958,2 1.871,3 2.791,4 2.791,5 3.117,6 1.194,7 1.243,8 3.135,9 1.852,10 4.263,11 4.949,12 0.765,13 1.955,14 2.791,15 2.791,16 3.356,17 3.296,18 7.16,19 3.909,20 23.712,21 4.804,22 12,23 12,24 6.264,25 5.77,26 3.889,27 2.104,28 1.477,29 4.637,30 3.992,31 3.992,32 -0.078,33 1.057,34 0.277,35 6.026,36 -0.108,37 7.656,38 76.506,39 76.506,40 57.417,41 4.977,42 13.64,43 3.235,44 3.189,45 0.636,46 5.066,47 8.5,48 2.767,49 4.511,50 1.637,51 1.989,52 3,53 1.278,54 1.278,55 9.683,56 1.335,57 3.239,58 1.472,59 -0.375,60 3.821,61 4.465,62 28.687,63 6.571,64 3.216,65 0.136,66 3.638,67 6.041}
{0 CHEMBL2171909,1 1.994,2 1.897,3 2.791,4 2.791,5 3.112,6 1.178,7 1.226,8 3.132,9 1.876,10 4.304,11 4.99,12 1.103,13 2.279,14 2.726,15 2.726,16 3.324,17 3.273,18 7.228,19 3.885,20 18.643,21 4.89,22 12,23 12,24 6.311,25 5.945,26 3.865,27 2.05,28 1.443,29 4.69,30 4.093,31 4.093,32 -0.068,33 0.926,34 0.318,35 6.272,36 -0.121,37 7.71,38 73.334,39 73.334,40 59.057,41 5.011,42 13.73,43 3.232,44 3.268,45 0.708,46 5.139,47 8.5,48 2.699,49 4.18,50 1.709,51 1.865,52 3.17,53 1.221,54 1.221,55 9.778,56 1.344,57 3.242,58 1.428,59 -0.575,60 3.787,61 4.609,62 22.85,63 6.326,64 3.216,65 0.074,66 3.664,67 5.77}
{0 CHEMBL2171910,1 1.985,2 1.88,3 2.111,4 2.111,5 2.806,6 0.904,7 0.96,8 2.799,9 1.854,10 3.97,11 4.654,12 -0.917,13 0.837,14 1.665,15 1.665,16 3.039,17 2.985,18 6.852,19 3.826,20 3.124,21 4.62,22 12,23 12,24 5.827,25 5.718,26 3.797,27 2.021,28 1.193,29 1.871,30 3.716,31 3.716,32 -0.148,33 0.581,34 0.389,35 5.898,36 -0.243,37 7.15,38 41.474,39 41.474,40 41.444,41 4.605,42 7.802,43 3.195,44 2,45 -0.627,46 4.443,47 2.5,48 2.505,49 2.73,50 0.365,51 1.104,52 3.17,53 -2.122,54 -2.122,55 9.347,56 1.394,57 3.201,58 1.193,59 -1.337,60 3.745,61 4.098,62 17.021,63 4.405,64 2.827,66 3.367,67 5}
{0 CHEMBL2171911,1 1.993,2 1.892,3 2.305,4 2.305,5 2.904,6 0.989,7 1.066,8 2.895,9 1.868,10 4.025,11 4.71,12 -0.8,13 0.926,14 2.156,15 2.156,16 3.13,17 3.056,18 6.925,19 3.845,20 11.95,21 4.663,22 12,23 12,24 5.89,25 5.793,26 3.817,27 2.033,28 1.342,29 2,30 3.783,31 3.783,32 -0.16,33 0.605,34 0.422,35 6.004,36 -0.212,37 7.222,38 44.884,39 44.884,40 43.265,41 4.654,42 8.435,43 3.227,44 2,45 -0.59,46 4.59,47 3.5,48 2.505,49 3.111,50 0.447,51 1.105,52 3.17,53 -2.125,54 -2.125,55 9.426,56 1.387,57 3.24,58 1.29,59 -1.311,60 3.768,61 4.144,62 18.627,63 4.909,64 2.91,66 3.401,67 5}
{0 CHEMBL2171912,1 1.996,2 1.897,3 2.311,4 2.311,5 3.07,6 1.16,7 1.232,8 3.059,9 1.873,10 4.043,11 4.727,12 -0.597,13 0.926,14 2.258,15 2.258,16 3.288,17 3.22,18 6.939,19 3.856,20 14.484,21 4.691,22 12,23 12,24 5.909,25 5.82,26 3.827,27 2.039,28 1.453,29 2.236,30 3.79,31 3.79,32 -0.128,33 0.625,34 0.401,35 6.06,36 -0.167,37 7.238,38 48.204,39 48.204,40 44.47,41 4.682,42 8.605,43 3.231,44 2.121,45 -0.477,46 4.59,47 3.5,48 2.505,49 3.487,50 0.508,51 1.105,52 3.17,53 -1.384,54 -1.384,55 9.438,56 1.38,57 3.241,58 1.415,59 -1.187,60 3.777,61 4.153,62 20.472,63 5.093,64 3.052,66 3.434,67 4.523}
{0 CHEMBL2171913,1 2.001,2 1.902,3 2.313,4 2.313,5 3.232,6 1.287,7 1.342,8 3.241,9 1.877,10 4.111,11 4.796,12 0.732,13 1.947,14 2.293,15 2.293,16 3.444,17 3.384,18 6.962,19 3.874,20 24.622,21 4.727,22 12,23 12,24 5.983,25 5.848,26 3.841,27 2.047,28 1.577,29 3,30 3.791,31 3.791,32 -0.082,33 0.926,34 0.332,35 6.1,36 -0.104,37 7.291,38 60.917,39 60.917,40 49.562,41 4.787,42 10.046,43 3.312,44 2.41,45 0.572,46 4.59,47 3.5,48 2.505,49 4.958,50 1.588,51 1.628,52 3.17,53 0.353,54 0.353,55 9.445,56 1.359,57 3.3,58 1.55,59 -0.44,60 3.785,61 4.154,62 27.86,63 6.55,64 3.252,65 0.074,66 3.555,67 5}
{0 CHEMBL2171914,1 2.011,2 1.902,3 2.313,4 2.313,5 3.38,6 1.481,7 1.549,8 3.361,9 1.877,10 4.205,11 4.89,12 1.106,13 2.341,14 2.294,15 2.294,16 3.591,17 3.519,18 6.995,19 3.892,20 39.829,21 4.779,22 12,23 12,24 6.083,25 5.865,26 3.848,27 2.048,28 1.769,29 3.873,30 3.791,31 3.791,32 -0.048,33 1.958,34 0.265,35 6.114,36 -0.058,37 7.366,38 79.072,39 79.072,40 57.193,41 4.927,42 12.167,43 3.55,44 3.051,45 1.016,46 4.59,47 3.5,48 2.505,49 7.101,50 2.017,51 1.746,52 3.17,53 1.769,54 1.769,55 9.455,56 1.337,57 3.529,58 1.733,59 0.764,60 3.787,61 4.154,62 38.093,63 8.672,64 3.375,65 0.111,66 3.714,67 4.523}
{0 CHEMBL2171915,1 1.999,2 1.903,3 2.324,4 2.324,5 3.115,6 1.198,7 1.261,8 3.111,9 1.879,10 4.078,11 4.762,12 -0.566,13 0.927,14 2.48,15 2.48,16 3.31,17 3.25,18 6.966,19 3.869,20 20.775,21 4.718,22 12,23 12,24 5.96,25 5.846,26 3.84,27 2.048,28 1.461,29 2.646,30 3.807,31 3.807,32 -0.102,33 0.642,34 0.43,35 6.114,36 -0.133,37 7.289,38 51.456,39 51.456,40 46.547,41 4.727,42 9.334,43 3.232,44 2.222,45 -0.444,46 4.649,47 4,48 2.506,49 3.86,50 0.534,51 1.389,52 3.17,53 -1.39,54 -1.39,55 9.465,56 1.374,57 3.242,58 1.425,59 -1,60 3.789,61 4.182,62 22.311,63 5.82,64 3.109,66 3.466,67 5.77}
{0 CHEMBL2171916,1 2.001,2 1.908,3 2.371,4 2.371,5 3.132,6 1.213,7 1.272,8 3.131,9 1.885,10 4.127,11 4.812,12 -0.555,13 0.927,14 2.566,15 2.566,16 3.317,17 3.261,18 7.037,19 3.886,20 29.6,21 4.745,22 12,23 12,24 6.051,25 5.872,26 3.857,27 2.058,28 1.464,29 3.162,30 3.87,31 3.87,32 -0.081,33 0.646,34 0.363,35 6.165,36 -0.106,37 7.407,38 54.652,39 54.652,40 48.602,41 4.787,42 10.393,43 3.233,44 2.233,45 -0.434,46 4.808,47 5.5,48 2.664,49 4.228,50 0.544,51 1.583,52 3.17,53 -1.392,54 -1.392,55 9.552,56 1.368,57 3.242,58 1.429,59 -1,60 3.804,61 4.405,62 24.153,63 6.87,64 3.131,66 3.497,67 5.268}
{0 CHEMBL2171917,1 2.036,2 1.946,3 3.086,4 3.086,5 3.232,6 1.294,7 1.337,8 3.243,9 1.923,10 4.437,11 5.124,12 1.475,13 2.529,14 2.586,15 2.586,16 3.437,17 3.384,18 7.347,19 3.957,20 14.484,21 5.08,22 18,23 18,24 6.304,25 6.269,26 3.935,27 2.071,28 1.55,29 3.082,30 3.975,31 3.975,32 -0.109,33 2.043,34 0.424,35 6.609,36 -0.114,37 7.636,38 69.103,39 69.103,40 65.703,41 5.066,42 12.824,43 3.335,44 3.346,45 0.994,46 5.017,47 6,48 2.745,49 4.628,50 2.005,51 1.998,52 3.7,53 1.957,54 1.957,55 9.844,56 1.457,57 3.328,58 1.529,59 0.83,60 3.883,61 4.32,62 28.958,63 7.194,64 3.289,65 0.134,66 3.807,67 4.523}
{0 CHEMBL217376,1 2.018,2 1.923,3 3.413,4 3.413,5 3.42,6 1.46,7 1.482,8 3.429,9 1.904,10 4.745,11 5.434,12 2.012,13 2.855,14 2.778,15 2.778,16 3.561,17 3.535,18 7.689,19 3.964,20 23.543,21 5.378,22 29,23 27,24 6.589,25 6.632,26 3.945,27 2.157,28 1.607,29 4.359,30 3.947,31 3.947,32 -0.113,33 2.667,34 0.332,35 6.964,36 -0.079,37 7.919,38 94.302,39 94.302,40 88.905,41 5.348,42 17.714,43 3.772,44 3.64,45 1.367,46 5.286,47 8,48 2.808,49 5.395,50 2.379,51 2.688,52 4.129,53 3.08,54 3.08,55 10.247,56 1.651,57 3.771,58 1.625,59 1.742,60 3.876,61 4.441,62 29.758,63 8.764,64 3.512,65 0.277,66 4.103,67 5.728}
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{0 CHEMBL243719,1 1.98,2 1.892,3 3,4 3,5 3.059,6 1.166,7 1.202,8 3.03,9 1.872,10 4.494,11 5.182,12 1.5,13 2.5,14 2.604,15 2.604,16 3.315,17 3.249,18 7.384,19 3.921,20 19.665,21 5.083,22 18,23 18,24 6.363,25 6.11,26 3.907,27 2.012,28 1.535,29 3.317,30 4.063,31 4.063,32 0.075,33 1.999,34 0.392,35 6.36,36 0.056,37 7.691,38 95.569,39 95.569,40 70.071,41 5.133,42 14.382,43 3.442,44 3.414,45 1.025,46 5.066,47 7,48 2.715,49 4.52,50 2.059,51 2.425,52 3.585,53 2.275,54 2.275,55 9.86,56 1.353,57 3.414,58 1.519,59 0.91,60 3.853,61 4.423,62 31.086,63 8.844,64 3.684,65 0.322,66 3.871,67 6.046}
{0 CHEMBL243927,1 1.981,2 1.891,3 3.125,4 3.125,5 3.026,6 1.173,7 1.212,8 3.047,9 1.87,10 4.538,11 5.226,12 1.5,13 2.5,14 2.699,15 2.699,16 3.324,17 3.27,18 7.446,19 3.932,20 19.665,21 5.146,22 18,23 18,24 6.411,25 6.193,26 3.919,27 2.022,28 1.539,29 3.536,30 4.072,31 4.072,32 0.137,33 1.998,34 0.428,35 6.427,36 0.063,37 7.747,38 100.482,39 100.482,40 73.491,41 5.179,42 14.941,43 3.437,44 3.414,45 1.024,46 5.147,47 7,48 2.733,49 5.301,50 2.057,51 2.366,52 3.585,53 2.275,54 2.275,55 9.952,56 1.347,57 3.414,58 1.523,59 0.91,60 3.827,61 4.47,62 34.562,63 8.251,64 3.266,65 0.392,66 3.912,67 6.155}
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{0 CHEMBL251331,1 2.028,2 1.932,3 3.347,4 3.347,5 3.549,6 1.587,7 1.622,8 3.504,9 1.913,10 4.721,11 5.409,12 2.066,13 2.928,14 2.983,15 2.983,16 3.653,17 3.646,18 7.766,19 4.074,20 49.849,21 5.294,22 22,23 20,24 6.602,25 6.455,26 4.083,27 2.036,28 1.809,29 4.743,30 4.648,31 4.648,32 0.171,33 2.745,34 0.336,35 6.832,36 0.166,37 7.978,38 107.751,39 107.751,40 83.908,41 5.321,42 17.962,43 3.561,44 3.971,45 1.499,46 5.574,47 10.5,48 2.959,49 6.5,50 2.501,51 2.481,52 3.907,53 3.76,54 3.76,55 10.471,56 1.503,57 3.556,58 1.792,59 1.841,60 4.041,61 4.725,62 31.079,63 11.816,64 3.603,65 0.363,66 4.025,67 6.244}
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{0 CHEMBL254539,1 2.045,2 1.953,3 3.403,4 3.403,5 3.556,6 1.606,7 1.64,8 3.551,9 1.931,10 4.828,11 5.517,12 2.233,13 3.039,14 2.911,15 2.911,16 3.678,17 3.646,18 7.74,19 3.991,20 34.903,21 5.421,22 29,23 27,24 6.699,25 6.651,26 3.968,27 2.156,28 1.781,29 5,30 3.833,31 3.833,32 -0.065,33 2.858,34 0.316,35 7.002,36 0.026,37 8.026,38 107.966,39 107.966,40 97.449,41 5.461,42 19.573,43 3.756,44 3.764,45 1.533,46 5.316,47 9,48 2.96,49 6.556,50 2.565,51 2.783,52 4.285,53 3.252,54 3.252,55 10.257,56 1.633,57 3.756,58 1.765,59 2.016,60 3.907,61 4.332,62 35.045,63 10.054,64 3.564,65 0.293,66 4.212,67 8.222}
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{0 CHEMBL258491,1 2.012,2 1.92,3 2.989,4 2.989,5 3.259,6 1.341,7 1.392,8 3.251,9 1.902,10 4.522,11 5.209,12 1.751,13 2.672,14 2.562,15 2.562,16 3.446,17 3.395,18 7.391,19 3.952,20 10.138,21 5.106,22 24,23 24,24 6.333,25 6.258,26 3.936,27 2.096,28 1.603,29 2.646,30 3.735,31 3.735,32 0.032,33 1.973,34 0.313,35 6.473,36 0.031,37 7.631,38 75.207,39 75.207,40 72.198,41 5.136,42 14.198,43 3.699,44 3.268,45 1.196,46 4.913,47 6.5,48 2.652,49 6.122,50 2.2,51 2.479,52 3.7,53 2.275,54 2.275,55 9.817,56 1.535,57 3.697,58 1.584,59 0.883,60 3.869,61 4.135,62 42.485,63 8.451,64 3.263,65 0.124,66 3.912,67 4.602}
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{0 CHEMBL260632,1 2.007,2 1.916,3 2.955,4 2.955,5 3.256,6 1.337,7 1.387,8 3.248,9 1.9,10 4.5,11 5.187,12 1.5,13 2.5,14 2.53,15 2.53,16 3.436,17 3.385,18 7.374,19 3.951,20 10.138,21 5.069,22 24,23 24,24 6.308,25 6.214,26 3.937,27 2.094,28 1.584,29 2.236,30 3.915,31 3.915,32 0.041,33 1.988,34 0.333,35 6.398,36 0.045,37 7.609,38 68.575,39 68.575,40 69.841,41 5.1,42 13.817,43 3.696,44 3.282,45 1,46 4.913,47 6.5,48 2.609,49 5.349,50 2,51 2.408,52 3.7,53 2.275,54 2.275,55 9.796,56 1.543,57 3.692,58 1.559,59 0.909,60 3.867,61 4.272,62 35.771,63 8.086,64 3.256,65 0.095,66 3.871,67 5.357}
{0 CHEMBL263089,1 1.986,2 1.892,3 2.791,4 2.791,5 3.217,6 1.322,7 1.377,8 3.202,9 1.869,10 4.277,11 4.963,12 1.286,13 2.314,14 2.646,15 2.646,16 3.492,17 3.411,18 7.132,19 3.93,20 37.81,21 4.787,22 12,23 12,24 6.314,25 5.667,26 3.907,27 2.084,28 1.607,29 5.874,30 4.05,31 4.05,32 -0.051,33 1.478,34 0.17,35 5.791,36 -0.135,37 7.711,38 95.561,39 95.561,40 60.003,41 5.037,42 14.439,43 3.346,44 3.247,45 1,46 5.047,47 10,48 2.545,49 5.768,50 2,51 1.734,52 3,53 2.136,54 2.136,55 9.633,56 1.268,57 3.383,58 1.635,59 0.371,60 3.835,61 4.809,62 53.293,63 7.068,64 3.229,65 0.293,66 3.714,67 6.523}
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{0 CHEMBL275911,1 2.016,2 1.863,3 2.39,4 2.39,5 3.304,6 1.396,7 1.465,8 3.286,9 1.82,10 4.025,11 4.71,12 0.966,13 1.996,14 2.572,15 2.572,16 3.511,17 3.444,18 6.637,19 3.944,20 69.471,21 4.407,24 6.14,25 5.017,26 3.903,27 2.148,28 1.688,29 4.472,30 3.61,31 3.61,32 -0.068,33 1.44,34 0.318,35 5.263,36 -0.064,37 7.497,38 81.26,39 81.26,40 51.967,41 4.934,42 13.541,43 3.461,44 3.175,45 0.946,46 4.745,47 8.5,48 2.74,49 8.537,50 1.949,51 1.626,52 1.585,53 1.542,54 1.542,55 8.932,56 1.057,57 3.446,58 1.645,59 0.273,60 3.822,61 4.567,62 57.247,63 12.021,64 3.271,65 0.186,66 3.555,67 6.745}
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{0 CHEMBL411246,1 2.011,2 1.92,3 2.956,4 2.956,5 3.256,6 1.336,7 1.388,8 3.247,9 1.902,10 4.5,11 5.187,12 1.742,13 2.665,14 2.548,15 2.548,16 3.436,17 3.384,18 7.374,19 3.951,20 10.138,21 5.069,22 24,23 24,24 6.308,25 6.214,26 3.935,27 2.094,28 1.584,29 2.236,30 3.735,31 3.735,32 0.023,33 1.959,34 0.333,35 6.408,36 0.022,37 7.609,38 68.575,39 68.575,40 69.795,41 5.1,42 13.838,43 3.696,44 3.268,45 1.186,46 4.913,47 6.5,48 2.645,49 5.349,50 2.189,51 2.479,52 3.7,53 2.275,54 2.275,55 9.8,56 1.543,57 3.692,58 1.559,59 0.87,60 3.868,61 4.135,62 37.309,63 8.086,64 3.253,65 0.082,66 3.871,67 5.076}
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{0 CHEMBL411912,1 2.013,2 1.921,3 2.859,4 2.859,5 3.256,6 1.336,7 1.388,8 3.247,9 1.902,10 4.466,11 5.153,12 1.639,13 2.595,14 2.519,15 2.519,16 3.435,17 3.383,18 7.328,19 3.951,20 10.138,21 5.04,22 24,23 24,24 6.267,25 6.175,26 3.934,27 2.094,28 1.585,29 2.121,30 3.734,31 3.734,32 0.03,33 1.952,34 0.307,35 6.335,36 0.028,37 7.56,38 64.119,39 64.119,40 67.896,41 5.069,42 13.204,43 3.697,44 3.237,45 1.115,46 4.808,47 5.5,48 2.635,49 5.209,50 2.116,51 2.091,52 3.7,53 2.275,54 2.275,55 9.746,56 1.548,57 3.69,58 1.558,59 0.863,60 3.869,61 4.135,62 36.175,63 7.902,64 3.253,65 0.074,66 3.85,67 5.495}
{0 CHEMBL421115,1 1.911,2 1.782,3 2.012,4 2.012,5 3.001,6 1.116,7 1.195,8 2.982,9 1.753,10 3.882,11 4.564,12 -0.346,13 0.757,14 2.096,15 2.096,16 3.257,17 3.178,18 6.722,19 3.818,20 30.323,21 4.385,22 6,23 6,24 5.901,25 5.328,26 3.791,27 2.152,28 1.473,29 3.317,30 3.672,31 3.672,32 -0.189,33 0.438,34 0.263,35 5.471,36 -0.179,37 7.289,38 54.128,39 54.128,40 39.858,41 4.64,42 9.435,43 3.264,44 2.337,45 -0.307,46 4.677,47 6.5,48 2.503,49 4.66,50 0.659,51 1.035,52 2.322,53 -2,54 -2,55 9.208,56 1.188,57 3.25,58 1.429,59 -1.18,60 3.7,61 4.389,62 33.863,63 6.926,64 2.984,66 3.296,67 4.301}
{0 CHEMBL422904,1 2.021,2 1.863,3 2.296,4 2.296,5 3.303,6 1.396,7 1.46,8 3.29,9 1.82,10 3.989,11 4.673,12 0.813,13 1.818,14 2.451,15 2.451,16 3.513,17 3.452,18 6.578,19 3.944,20 69.471,21 4.369,24 6.111,25 5.03,26 3.904,27 2.148,28 1.685,29 4.472,30 3.616,31 3.616,32 -0.071,33 1.269,34 0.318,35 5.263,36 -0.064,37 7.466,38 82.696,39 82.696,40 50.915,41 4.913,42 13.572,43 3.461,44 3.174,45 0.809,46 4.691,47 8.5,48 2.707,49 8.756,50 1.809,51 1.68,52 1,53 1.485,54 1.485,55 8.87,56 1.05,57 3.446,58 1.65,59 0.266,60 3.822,61 4.572,62 60.809,63 12.282,64 3.291,65 0.153,66 3.526,67 4.824}
{0 CHEMBL424831,1 1.961,2 1.808,3 2.656,4 2.656,5 3.266,6 1.378,7 1.44,8 3.25,9 1.772,10 4.135,11 4.82,12 1.034,13 2.077,14 2.538,15 2.538,16 3.465,17 3.403,18 6.89,19 4.043,20 58.472,21 4.627,22 6,23 6,24 6.166,25 5.509,26 3.999,27 2.154,28 1.659,29 3.674,30 3.694,31 3.694,32 -0.105,33 1.316,34 0.306,35 5.655,36 -0.101,37 7.529,38 75.909,39 75.909,40 54.083,41 4.945,42 12.852,43 3.302,44 3.239,45 0.922,46 4.832,47 8,48 2.982,49 6.663,50 1.924,51 1.649,52 2.322,53 1.595,54 1.595,55 9.313,56 1.15,57 3.301,58 1.625,59 0.186,60 3.911,61 4.409,62 47.333,63 10.376,64 3.234,65 0.074,66 3.584,67 5.509}
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{0 CHEMBL426289,1 1.927,2 1.787,3 2.148,4 2.148,5 3.265,6 1.354,7 1.408,8 3.25,9 1.758,10 3.998,11 4.682,12 0.213,13 1.458,14 2.096,15 2.096,16 3.463,17 3.403,18 6.778,19 3.829,20 39.985,21 4.48,22 6,23 6,24 6.017,25 5.384,26 3.803,27 2.152,28 1.617,29 4,30 3.689,31 3.689,32 -0.188,33 0.895,34 0.208,35 5.536,36 -0.181,37 7.374,38 67.906,39 67.906,40 46.581,41 4.8,42 11.03,43 3.293,44 2.792,45 0.186,46 4.677,47 6.5,48 2.505,49 6.097,50 1.167,51 1.527,52 2.585,53 0.097,54 0.097,55 9.234,56 1.18,57 3.292,58 1.594,59 -0.264,60 3.705,61 4.402,62 43.916,63 8.188,64 3.234,65 0.07,66 3.497,67 4.301}
{0 CHEMBL427031,1 1.988,2 1.9,3 2.791,4 2.791,5 3.03,6 1.073,7 1.121,8 3.05,9 1.881,10 4.344,11 5.03,12 0.952,13 2.342,14 2.697,15 2.697,16 3.237,17 3.183,18 7.381,19 3.947,20 46.578,21 4.852,22 12,23 12,24 6.372,25 5.769,26 3.933,27 2.073,28 1.361,29 5.477,30 4.167,31 4.167,32 -0.092,33 1,34 0.187,35 5.873,36 -0.028,37 7.792,38 84.889,39 84.889,40 59.958,41 5.05,42 13.983,43 3.332,44 3.055,45 0.652,46 5.323,47 10,48 2.613,49 4.405,50 1.639,51 1.759,52 3.459,53 0.704,54 0.704,55 10.105,56 1.346,57 3.354,58 1.311,59 -0.671,60 3.858,61 4.974,62 19.795,63 7.771,64 3.216,65 0.31,66 3.714,67 6.155}
{0 CHEMBL427040,1 2.037,2 1.948,3 2.928,4 2.928,5 3.254,6 1.344,7 1.378,8 3.277,9 1.925,10 4.416,11 5.103,12 1.407,13 2.418,14 2.586,15 2.586,16 3.508,17 3.473,18 7.35,19 4.006,20 45.003,21 4.984,22 16,23 13,24 6.303,25 6.1,26 3.975,27 2.057,28 1.616,29 4.796,30 3.921,31 3.921,32 -0.129,33 2.01,34 0.327,35 6.416,36 -0.161,37 7.639,38 101.237,39 101.237,40 66.064,41 5.069,42 14.869,43 3.441,44 3.162,45 1.14,46 5.103,47 8,48 2.727,49 6.049,50 2.169,51 1.941,52 3.322,53 2.513,54 2.513,55 9.95,56 1.406,57 3.433,58 1.658,59 0.876,60 3.904,61 4.289,62 39.993,63 8.003,64 3.363,65 0.21,66 3.807,67 5.886}
{0 CHEMBL427183,1 2.007,2 1.904,3 2.657,4 2.657,5 3.265,6 1.354,7 1.407,8 3.25,9 1.877,10 4.205,11 4.89,12 1.059,13 2.09,14 2.506,15 2.506,16 3.463,17 3.403,18 7.018,19 3.935,20 34.915,21 4.718,22 12,23 12,24 6.162,25 5.663,26 3.907,27 2.152,28 1.615,29 3.674,30 3.691,31 3.691,32 -0.159,33 1.315,34 0.231,35 5.704,36 -0.15,37 7.516,38 68.575,39 68.575,40 55.372,41 4.934,42 12.262,43 3.294,44 3.181,45 0.935,46 4.796,47 7,48 2.513,49 5.982,50 1.937,51 1.665,52 3,53 1.042,54 1.042,55 9.45,56 1.263,57 3.295,58 1.593,59 0.165,60 3.844,61 4.403,62 44.785,63 8.683,64 3.234,65 0.083,66 3.638,67 4.824}
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{0 CHEMBL429324,1 2.009,2 1.917,3 2.888,4 2.888,5 3.256,6 1.337,7 1.387,8 3.247,9 1.901,10 4.466,11 5.153,12 1.5,13 2.5,14 2.503,15 2.503,16 3.436,17 3.384,18 7.328,19 3.951,20 10.138,21 5.04,22 24,23 24,24 6.267,25 6.175,26 3.936,27 2.094,28 1.585,29 2.121,30 3.915,31 3.915,32 0.048,33 1.981,34 0.307,35 6.324,36 0.052,37 7.56,38 64.119,39 64.119,40 68.092,41 5.069,42 13.183,43 3.697,44 3.252,45 1,46 4.808,47 5.5,48 2.607,49 5.209,50 2,51 2.088,52 3.7,53 2.275,54 2.275,55 9.743,56 1.549,57 3.689,58 1.558,59 0.9,60 3.868,61 4.272,62 34.668,63 7.902,64 3.255,65 0.087,66 3.85,67 5.244}
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{0 CHEMBL434302,1 2.002,2 1.853,3 2.397,4 2.397,5 3.303,6 1.393,7 1.46,8 3.286,9 1.809,10 4.06,11 4.745,12 0.946,13 1.946,14 2.6,15 2.6,16 3.507,17 3.443,18 6.732,19 3.967,20 69.471,21 4.419,24 6.215,25 5.03,26 3.935,27 2.148,28 1.689,29 4.183,30 3.611,31 3.611,32 -0.073,33 1.274,34 0.282,35 5.283,36 -0.069,37 7.607,38 81.26,39 81.26,40 53.151,41 4.977,42 14.209,43 3.477,44 3.384,45 0.935,46 4.89,47 9.5,48 3.309,49 8.599,50 1.936,51 1.631,52 1,53 1.552,54 1.552,55 9.084,56 1.049,57 3.464,58 1.649,59 0.271,60 3.83,61 4.57,62 57.665,63 12.649,64 3.276,65 0.173,66 3.555,67 6.337}
{0 CHEMBL44,1 1.929,2 1.835,3 2.559,4 2.559,5 2.735,6 0.821,7 0.886,8 2.739,9 1.821,10 4.078,11 4.762,12 -0.414,13 1.07,14 2.114,15 2.114,16 2.925,17 2.902,18 6.99,19 3.869,21 4.677,22 12,23 12,24 5.926,25 5.764,26 3.854,27 2.065,28 1.107,29 2,30 3.79,31 3.79,32 0.103,33 0.5,34 0.436,35 6.032,36 0.108,37 7.257,38 43.774,39 43.774,40 44.434,41 4.682,42 9.012,43 2.813,44 2,45 -0.29,46 4.663,47 4.5,48 2.297,49 2.767,50 0.636,51 1.5,52 3.17,53 -1.225,54 -1.225,55 9.481,56 1.402,57 2.846,58 1.075,59 -0.933,60 3.783,61 4.183,62 8.745,63 4.363,64 2.829,65 0.041,66 3.434,67 4.509}
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{0 CHEMBL492243,1 1.95,2 1.869,3 2.791,4 2.791,5 3.114,6 1.191,7 1.258,8 3.113,9 1.858,10 4.263,11 4.949,12 1.111,13 2.15,14 2.791,15 2.791,16 3.373,17 3.297,18 7.14,19 3.913,20 33.625,21 4.732,22 12,23 12,24 6.261,25 5.625,26 3.902,27 2.063,28 1.51,29 5.292,30 4.068,31 4.068,32 -0.061,33 1.245,34 0.239,35 5.791,36 -0.055,37 7.642,38 95.534,39 95.534,40 58.335,41 4.984,42 14.625,43 3.368,44 3.174,45 0.853,46 5.075,47 10,48 2.622,49 5.156,50 1.872,51 1.837,52 2.807,53 1.18,54 1.18,55 9.644,56 1.295,57 3.405,58 1.498,59 0.161,60 3.841,61 4.386,62 31.064,63 7.767,64 3.47,65 0.426,66 3.664,67 6.051}
{0 CHEMBL492421,1 1.954,2 1.872,3 2.791,4 2.791,5 3.135,6 1.225,7 1.28,8 3.144,9 1.86,10 4.277,11 4.963,12 1.129,13 2.163,14 2.791,15 2.791,16 3.406,17 3.346,18 7.151,19 3.917,20 33.625,21 4.758,22 12,23 12,24 6.274,25 5.639,26 3.906,27 2.064,28 1.557,29 5.385,30 4.077,31 4.077,32 -0.069,33 1.266,34 0.231,35 5.843,36 -0.178,37 7.653,38 99.593,39 99.593,40 59.362,41 5.004,42 14.816,43 3.369,44 3.268,45 0.859,46 5.075,47 10,48 2.624,49 5.503,50 1.882,51 1.842,52 2.807,53 1.794,54 1.794,55 9.655,56 1.29,57 3.406,58 1.557,59 0.225,60 3.843,61 4.391,62 33.247,63 7.935,64 3.47,65 0.364,66 3.689,67 6.77}
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{0 CHEMBL61124,1 2.02,2 1.913,3 2.872,4 2.872,5 3.491,6 1.579,7 1.641,8 3.491,9 1.891,10 4.554,11 5.242,12 1.908,13 2.781,14 2.415,15 2.415,16 3.725,17 3.663,18 7.311,19 3.958,20 52,21 5.03,22 24,23 24,24 6.39,25 6.035,26 3.934,27 2.078,28 1.85,29 4.528,30 3.729,31 3.729,32 -0.061,33 2.5,34 0.264,35 5.998,36 -0.028,37 7.655,38 106.755,39 106.755,40 79.025,41 5.226,42 16.435,43 3.753,44 3.473,45 1.317,46 4.783,47 7,48 2.68,49 7.268,50 2.317,51 2.39,52 3.807,53 2.88,54 2.88,55 9.637,56 1.309,57 3.743,58 1.838,59 1.5,60 3.863,61 4.233,62 51.979,63 9.559,64 3.537,65 0.301,66 4.025,67 6.438}
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{0 CHEMBL611734,1 2.059,2 1.952,3 3.427,4 3.427,5 3.57,6 1.548,7 1.536,8 3.507,9 1.94,10 4.743,11 5.432,12 2.068,13 2.901,14 2.7,15 2.7,16 3.628,17 3.634,18 7.792,19 4.04,20 13.518,21 5.343,22 28,23 25,24 6.585,25 6.632,26 4.068,27 2.098,28 1.722,29 4.243,30 4.665,31 4.665,32 -0.026,33 2.609,34 0.288,35 7.039,36 0.018,37 7.954,38 97.372,39 97.372,40 85.209,41 5.308,42 17.23,43 3.766,44 3.497,45 1.38,46 5.503,47 9,48 2.849,49 5.519,50 2.409,51 2.518,52 4.087,53 2.766,54 2.766,55 10.486,56 1.636,57 3.766,58 1.668,59 1.652,60 4.041,61 4.805,62 22.814,63 10.181,64 3.666,65 0.29,66 4.043,67 6.244}
{0 CHEMBL611735,1 2.059,2 1.95,3 3.438,4 3.438,5 3.57,6 1.55,7 1.538,8 3.508,9 1.934,10 4.751,11 5.44,12 2.074,13 2.911,14 2.687,15 2.687,16 3.629,17 3.635,18 7.788,19 4.04,20 16.053,21 5.328,22 28,23 25,24 6.595,25 6.571,26 4.067,27 2.097,28 1.724,29 4.359,30 4.665,31 4.665,32 -0.07,33 2.651,34 0.28,35 6.927,36 -0.018,37 7.959,38 101.409,39 101.409,40 86.139,41 5.323,42 17.668,43 3.769,44 3.551,45 1.384,46 5.503,47 9.5,48 2.846,49 5.903,50 2.425,51 2.577,52 4.087,53 3.022,54 3.022,55 10.469,56 1.63,57 3.768,58 1.672,59 1.72,60 4.032,61 4.792,62 27.879,63 10.575,64 3.668,65 0.343,66 4.06,67 7.699}
{0 CHEMBL612005,1 2.058,2 1.945,3 3.339,4 3.339,5 3.57,6 1.525,7 1.577,8 3.508,9 1.926,10 4.666,11 5.354,12 1.984,13 2.842,14 2.688,15 2.688,16 3.629,17 3.635,18 7.699,19 4.04,20 28.029,21 5.233,22 22,23 19,24 6.536,25 6.465,26 4.067,27 2.096,28 1.793,29 4.359,30 4.665,31 4.665,32 -0.106,33 2.608,34 0.284,35 6.855,36 -0.031,37 7.903,38 107.898,39 107.898,40 80.69,41 5.27,42 17.314,43 3.666,44 3.493,45 1.364,46 5.472,47 9.5,48 2.845,49 6.303,50 2.382,51 2.397,52 3.807,53 2.701,54 2.701,55 10.403,56 1.544,57 3.664,58 1.751,59 1.652,60 4.023,61 4.791,62 30.884,63 10.896,64 3.666,65 0.299,66 3.989,67 6.554}
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