@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL228

@attribute molecule_id 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65,CHEMBL569476,CHEMBL569513,CHEMBL569699,CHEMBL569700,CHEMBL570317,CHEMBL570593,CHEMBL570781,CHEMBL570856,CHEMBL571443,CHEMBL571464,CHEMBL571536,CHEMBL571893,CHEMBL572163,CHEMBL572350,CHEMBL572917,CHEMBL572927,CHEMBL572951,CHEMBL573361,CHEMBL573521,CHEMBL573531,CHEMBL573532,CHEMBL573667,CHEMBL573766,CHEMBL573769,CHEMBL573831,CHEMBL573844,CHEMBL573897,CHEMBL573898,CHEMBL573971,CHEMBL573972,CHEMBL573973,CHEMBL574004,CHEMBL574008,CHEMBL574020,CHEMBL574081,CHEMBL574126,CHEMBL574127,CHEMBL574231,CHEMBL574317,CHEMBL574347,CHEMBL574348,CHEMBL574403,CHEMBL574427,CHEMBL574428,CHEMBL574543,CHEMBL574544,CHEMBL574546,CHEMBL574629,CHEMBL574920,CHEMBL574921,CHEMBL575077,CHEMBL575131,CHEMBL575132,CHEMBL575133,CHEMBL575199,CHEMBL575206,CHEMBL575270,CHEMBL575289,CHEMBL575290,CHEMBL575535,CHEMBL575546,CHEMBL575648,CHEMBL575699,CHEMBL575700,CHEMBL575714,CHEMBL575753,CHEMBL575854,CHEMBL575899,CHEMBL575930,CHEMBL576036,CHEMBL576063,CHEMBL576145,CHEMBL576170,CHEMBL576542,CHEMBL576622,CHEMBL576758,CHEMBL576821,CHEMBL577138,CHEMBL577272,CHEMBL577283,CHEMBL577497,CHEMBL577501,CHEMBL577504,CHEMBL577565,CHEMBL577570,CHEMBL577597,CHEMBL577598,CHEMBL577612,CHEMBL577825,CHEMBL578158,CHEMBL578219,CHEMBL578346,CHEMBL578419,CHEMBL578610,CHEMBL578611,CHEMBL578612,CHEMBL578815,CHEMBL578841,CHEMBL579056,CHEMBL579244,CHEMBL579254,CHEMBL580143,CHEMBL582894,CHEMBL582928,CHEMBL583113,CHEMBL583332,CHEMBL583411,CHEMBL583750,CHEMBL583751,CHEMBL583752,CHEMBL584152,CHEMBL584173,CHEMBL585708,CHEMBL588119,CHEMBL589086,CHEMBL589141,CHEMBL589177,CHEMBL589178,CHEMBL589179,CHEMBL589250,CHEMBL589494,CHEMBL59,CHEMBL590472,CHEMBL590487,CHEMBL591514,CHEMBL591561,CHEMBL591829,CHEMBL591830,CHEMBL591928,CHEMBL592028,CHEMBL592029,CHEMBL592167,CHEMBL592374,CHEMBL592375,CHEMBL592696,CHEMBL592697,CHEMBL592776,CHEMBL592854,CHEMBL592939,CHEMBL592951,CHEMBL592953,CHEMBL593281,CHEMBL593475,CHEMBL593865,CHEMBL594219,CHEMBL594357,CHEMBL594388,CHEMBL594585,CHEMBL594788,CHEMBL594807,CHEMBL594829,CHEMBL595055,CHEMBL595063,CHEMBL595190,CHEMBL595301,CHEMBL595449,CHEMBL595539,CHEMBL595540,CHEMBL595622,CHEMBL595638,CHEMBL595674,CHEMBL595677,CHEMBL595744,CHEMBL595751,CHEMBL595766,CHEMBL595767,CHEMBL596001,CHEMBL596175,CHEMBL596185,CHEMBL596297,CHEMBL596613,CHEMBL596614,CHEMBL596615,CHEMBL596714,CHEMBL596715,CHEMBL596775,CHEMBL596784,CHEMBL596795,CHEMBL596796,CHEMBL596805,CHEMBL596806,CHEMBL596809,CHEMBL596987,CHEMBL596989,CHEMBL597000,CHEMBL597031,CHEMBL597134,CHEMBL597135,CHEMBL597190,CHEMBL597530,CHEMBL597531,CHEMBL597608,CHEMBL597967,CHEMBL597968,CHEMBL598026,CHEMBL598042,CHEMBL598168,CHEMBL598202,CHEMBL598215,CHEMBL598216,CHEMBL598228,CHEMBL598346,CHEMBL598560,CHEMBL598561,CHEMBL598562,CHEMBL598614,CHEMBL598644,CHEMBL598767,CHEMBL598825,CHEMBL599028,CHEMBL599230,CHEMBL599233,CHEMBL599240,CHEMBL599241,CHEMBL599242,CHEMBL599371,CHEMBL599592,CHEMBL599593,CHEMBL599608,CHEMBL599609,CHEMBL599638,CHEMBL599639,CHEMBL599684,CHEMBL599798,CHEMBL599813,CHEMBL599845,CHEMBL599846,CHEMBL600220,CHEMBL600263,CHEMBL600424,CHEMBL600645,CHEMBL600674,CHEMBL600854,CHEMBL600890,CHEMBL601503,CHEMBL601879,CHEMBL601880,CHEMBL602235,CHEMBL602323,CHEMBL602550,CHEMBL603109,CHEMBL603480,CHEMBL603495,CHEMBL603540,CHEMBL603620,CHEMBL603835,CHEMBL603920,CHEMBL604063,CHEMBL605119,CHEMBL605209,CHEMBL605213,CHEMBL605292,CHEMBL605501,CHEMBL605502,CHEMBL605535,CHEMBL605919,CHEMBL605938,CHEMBL605990,CHEMBL606120,CHEMBL606149,CHEMBL606174,CHEMBL606244,CHEMBL606809,CHEMBL606864,CHEMBL606928,CHEMBL606929,CHEMBL606930,CHEMBL607377,CHEMBL607378,CHEMBL607419,CHEMBL607430,CHEMBL607431,CHEMBL607546,CHEMBL607547,CHEMBL607548,CHEMBL607871,CHEMBL608148,CHEMBL608151,CHEMBL608430,CHEMBL608703,CHEMBL608704,CHEMBL60889,CHEMBL609023,CHEMBL609904,CHEMBL609908,CHEMBL610163,CHEMBL610220,CHEMBL610514,CHEMBL610766,CHEMBL610795,CHEMBL610897,CHEMBL611063,CHEMBL611367,CHEMBL611379,CHEMBL611677,CHEMBL611959,CHEMBL611960,CHEMBL611961,CHEMBL611962,CHEMBL611963,CHEMBL611990,CHEMBL612,CHEMBL612232,CHEMBL621,CHEMBL623,CHEMBL629,CHEMBL6310,CHEMBL633,CHEMBL636,CHEMBL637,CHEMBL63703,CHEMBL641,CHEMBL643,CHEMBL6437,CHEMBL6467,CHEMBL66068,CHEMBL66112,CHEMBL67024,CHEMBL67078,CHEMBL67203,CHEMBL6731,CHEMBL67387,CHEMBL691,CHEMBL69380,CHEMBL7002,CHEMBL707,CHEMBL708,CHEMBL71,CHEMBL7143,CHEMBL715,CHEMBL716,CHEMBL72,CHEMBL723,CHEMBL726,CHEMBL728,CHEMBL7318,CHEMBL75342,CHEMBL76747,CHEMBL77867,CHEMBL781,CHEMBL78405,CHEMBL79151,CHEMBL796,CHEMBL808,CHEMBL809,CHEMBL81,CHEMBL81525,CHEMBL83,CHEMBL83617,CHEMBL83729,CHEMBL841,CHEMBL84680,CHEMBL85,CHEMBL85882,CHEMBL86590,CHEMBL86654,CHEMBL86710,CHEMBL86760,CHEMBL87031,CHEMBL87567,CHEMBL88246,CHEMBL88563,CHEMBL88792,CHEMBL88915,CHEMBL89208,CHEMBL89245,CHEMBL894,CHEMBL89469,CHEMBL89476,CHEMBL89662,CHEMBL89709,CHEMBL89754,CHEMBL89756,CHEMBL89906,CHEMBL900,CHEMBL90903,CHEMBL90997,CHEMBL91,CHEMBL91157,CHEMBL91184,CHEMBL91418,CHEMBL926,CHEMBL92860,CHEMBL941,CHEMBL95218,CHEMBL954,CHEMBL9831,CHEMBL98541,CHEMBL98646,CHEMBL98889,CHEMBL990,CHEMBL99653,CHEMBL99868,CHEMBL99916,CHEMBL99946}
@attribute piPC09 numeric
@attribute MPC09 numeric
@attribute MPC10 numeric
@attribute SM14_EA.dm. numeric
@attribute SM12_EA.dm. numeric
@attribute Eig01_EA.ed. numeric
@attribute SM10_AEA.dm. numeric
@attribute SpMax_EA.ed. numeric
@attribute MWC07 numeric
@attribute MWC08 numeric
@attribute MWC09 numeric
@attribute TWC numeric
@attribute SM06_EA.dm. numeric
@attribute MWC10 numeric
@attribute nN numeric
@attribute P_VSA_LogP_5 numeric
@attribute P_VSA_LogP_2 numeric
@attribute GGI8 numeric
@attribute Eig06_EA.ed. numeric
@attribute SM15_AEA.dm. numeric
@attribute Yindex numeric
@attribute SM14_EA.ed. numeric
@attribute Eig01_AEA.dm. numeric
@attribute SpMax_AEA.dm. numeric
@attribute SpDiam_AEA.dm. numeric
@attribute SpDiam_EA.ed. numeric
@attribute SM15_EA.ed. numeric
@attribute Eig01_AEA.ri. numeric
@attribute SpMax_AEA.ri. numeric
@attribute SM13_EA.ed. numeric
@attribute P_VSA_i_4 numeric
@attribute GNar numeric
@attribute SM08_EA.bo. numeric
@attribute Eig12_EA.ed. numeric
@attribute SM07_AEA.ri. numeric
@attribute IC1 numeric
@attribute Eig01_AEA.ed. numeric
@attribute SpMax_AEA.ed. numeric
@attribute piPC06 numeric
@attribute HVcpx numeric
@attribute SM02_EA.dm. numeric
@attribute C.006 numeric
@attribute SM05_AEA.ed. numeric
@attribute SM07_AEA.ed. numeric
@attribute Eig04_EA.bo. numeric
@attribute SM14_AEA.ri. numeric
@attribute SM08_EA.dm. numeric
@attribute Psi_i_0 numeric
@attribute SM11_EA.ed. numeric
@attribute SM06_AEA.ed. numeric
@attribute SM06_EA numeric
@attribute SM10_EA.dm. numeric
@attribute SM04_AEA.ed. numeric
@attribute SM12_EA.ed. numeric
@attribute SM15_EA.dm. numeric
@attribute SM13_EA.dm. numeric
@attribute Chi0_AEA.bo. numeric
@attribute Chi0_AEA.dm. numeric
@attribute Chi0_AEA.ed. numeric
@attribute Chi0_AEA.ri. numeric
@attribute Chi0_EA numeric
@attribute SM10_EA.ed. numeric
@attribute C.026 numeric
@attribute Eig05_EA.ri. numeric
@attribute MCD numeric
@attribute Eig01_EA.dm. numeric
@attribute SpMax_EA.dm. numeric
@attribute SM03_EA.ed. numeric
@attribute MSD numeric
@attribute SM08_EA.ed. numeric
@attribute Eig04_EA numeric
@attribute SM12_AEA.bo. numeric
@attribute SpDiam_EA.ri. numeric
@attribute Eig02_EA.ri. numeric
@attribute PDI numeric
@attribute SM04_AEA.bo. numeric
@attribute X3 numeric
@attribute SpAD_EA.dm. numeric
@attribute SM09_EA.ed. numeric
@attribute Eig15_EA.dm. numeric
@attribute PW5 numeric
@attribute SpMax4_Bh.m. numeric
@attribute X1Mad numeric
@attribute nCbH numeric
@attribute SpMax2_Bh.m. numeric
@attribute SpDiam_EA.dm. numeric
@attribute Eta_alpha numeric
@attribute Eig10_EA.ri. numeric
@attribute Eig06_AEA.ed. numeric
@attribute SpMin5_Bh.i. numeric
@attribute Wap numeric
@attribute SM05_EA.dm. numeric
@attribute Xindex numeric
@attribute X1MulPer numeric
@attribute X3v numeric
@attribute Vindex numeric
@attribute MDDD numeric
@attribute Eig10_AEA.ri. numeric
@attribute SM05_EA numeric
@attribute Eig07_AEA.bo. numeric
@attribute Eig05_EA numeric
@attribute SM13_AEA.bo. numeric
@attribute Eig14_EA.dm. numeric
@attribute X1Per numeric
@attribute ATS1v numeric
@attribute MPC03 numeric
@attribute Eig02_EA.ed. numeric
@attribute SM11_AEA.dm. numeric
@attribute MPC05 numeric
@attribute CATS2D_06_LL numeric
@attribute piPC03 numeric
@attribute Eig12_EA.ri. numeric
@attribute Chi1_EA.ed. numeric
@attribute C.017 numeric
@attribute nR.Ct numeric
@attribute CSI numeric
@attribute SM07_EA.dm. numeric
@attribute NRS numeric
@attribute X1sol numeric
@attribute ATS8v numeric
@attribute Eig06_EA.bo. numeric
@attribute Eig11_AEA.bo. numeric
@attribute Eig11_EA.ri. numeric
@attribute nCar numeric
@attribute SpMax5_Bh.p. numeric
@attribute Eig09_EA.bo. numeric
@attribute SpMaxA_AEA.ri. numeric
@attribute piPC02 numeric
@attribute SM02_EA.bo. numeric
@attribute SM02_EA.ri. numeric
@attribute SpAD_EA.bo. numeric
@attribute Eig12_AEA.bo. numeric
@attribute SpMin2_Bh.v. numeric
@attribute SpMax5_Bh.v. numeric
@attribute SM11_EA.dm. numeric
@attribute Eig12_AEA.dm. numeric
@attribute nCb. numeric
@attribute ZM2Mad numeric
@attribute RDCHI numeric
@attribute CID numeric
@attribute SpDiam_AEA.bo. numeric
@attribute Eig05_AEA.bo. numeric
@attribute Eig08_EA.ed. numeric
@attribute SM03_AEA.ri. numeric
@attribute SaaaC numeric
@attribute Eig11_AEA.ri. numeric
@attribute piPC04 numeric
@attribute Chi1_AEA.bo. numeric
@attribute Chi1_AEA.dm. numeric
@attribute Chi1_AEA.ed. numeric
@attribute Chi1_AEA.ri. numeric
@attribute Chi1_EA numeric
@attribute UNIP numeric
@attribute SpMin4_Bh.p. numeric
@attribute NaasC numeric
@attribute Eig05_EA.bo. numeric
@attribute SM15_AEA.ri. numeric
@attribute piID numeric
@attribute SpMin8_Bh.m. numeric
@attribute SpMax6_Bh.p. numeric
@attribute ON1 numeric
@attribute SM15_AEA.ed. numeric
@attribute SM15_EA.bo. numeric
@attribute P_VSA_LogP_4 numeric
@attribute ATS8p numeric
@attribute Eig13_AEA.ri. numeric
@attribute MWC05 numeric
@attribute SM10_EA.bo. numeric
@attribute Eig01_EA numeric
@attribute SM09_AEA.bo. numeric
@attribute SpMax_EA numeric
@attribute Sp numeric
@attribute SpMax2_Bh.v. numeric
@attribute SpDiam_EA numeric
@attribute Eig13_EA.ed. numeric
@attribute SM08_AEA.ri. numeric
@attribute Eig09_EA.ri. numeric
@attribute Eig10_EA numeric
@attribute SM04_AEA.dm. numeric
@attribute Eig02_EA.dm. numeric
@attribute Eig06_EA.ri. numeric
@attribute SM06_EA.bo. numeric
@attribute SM04_EA.bo. numeric
@attribute SM02_AEA.bo. numeric
@attribute SpMin6_Bh.i. numeric
@attribute Eig05_AEA.ri. numeric
@attribute CATS2D_06_AA numeric
@attribute NaaaC numeric
@attribute P_VSA_s_5 numeric
@attribute Eig06_AEA.ri. numeric
@attribute Eig05_EA.ed. numeric
@attribute SM14_AEA.dm. numeric
@attribute SM13_EA.bo. numeric
@attribute AECC numeric
@attribute SpMin7_Bh.m. numeric
@attribute Eta_betaS numeric
@attribute SpMin3_Bh.i. numeric
@attribute Eig09_AEA.ed. numeric
@attribute MPC08 numeric
@attribute S0K numeric
@attribute Eig07_EA.bo. numeric
@attribute PCR numeric
@attribute X2sol numeric
@attribute Eig06_AEA.bo. numeric
@attribute Eig14_EA numeric
@attribute SM08_AEA.dm. numeric
@attribute Eig12_EA.bo. numeric
@attribute SM05_EA.ri. numeric
@attribute Eig10_AEA.bo. numeric
@attribute HNar numeric
@attribute pXC50 numeric

@data
{1 5.999,2 4.174,3 3.951,4 7.91,5 6.88,6 11.521,7 11.521,8 11.521,9 9.035,10 9.943,11 10.847,12 12.274,13 3.808,14 11.757,16 20.557,17 10.138,18 0.02,19 2.713,20 2.713,21 0.959,22 34.229,23 3.768,24 3.768,25 5.768,26 18.758,27 36.667,28 4.238,29 4.238,30 31.783,32 2.12,33 11.478,34 -2.347,35 -2.347,36 3.001,37 6.887,38 6.887,39 5.426,40 2.674,41 1.888,43 10.422,44 14.025,45 2.31,46 2.31,47 4.825,48 13.252,49 26.901,50 12.208,51 7.577,52 5.851,53 8.678,54 29.353,57 12.439,58 12.439,59 12.439,60 12.439,61 12.439,62 24.493,64 1.653,65 0.778,66 1.674,67 1.674,68 7.252,69 4.017,70 19.672,71 1.809,72 1.809,73 5.233,74 2.555,75 0.967,76 6.977,77 6.782,78 3.349,79 22.025,81 0.114,82 3.035,83 8.572,84 5,85 3.729,86 3.349,87 8.667,88 -0.179,89 3.575,90 1.028,91 4486,93 0.446,94 6.42,95 4.295,96 0.307,97 9.556,98 0.853,99 6.089,100 2.5,101 1.694,102 1.694,104 5.319,105 3.214,106 3.689,107 8.048,108 8.048,109 4.234,110 8,111 4.314,112 -0.945,113 3.422,114 2,115 2,116 245,118 2,119 8.792,120 2.182,121 1.567,122 0.753,123 -0.473,124 6,125 2.855,126 0.376,127 0.212,128 3.773,129 4.454,130 4.029,131 36.464,132 0.5,133 1.874,134 2.837,136 -0.403,137 1,138 119.651,139 2.992,140 3.639,141 5.492,142 2.887,143 1.673,144 1.673,146 0.529,147 4.817,148 9.826,149 9.826,150 9.826,151 9.826,152 9.826,153 42,154 1.593,155 1,156 1.882,157 1.882,158 7.929,159 0.99,160 2.735,161 4.028,162 29.061,163 20.947,164 32.336,165 2.567,167 7.229,168 14.139,169 3.239,170 3.239,171 3.239,172 23.762,173 3.744,174 5.239,175 -2.452,176 -2.452,177 0.316,178 -0.177,179 -0.177,181 1.133,182 8.912,183 6.521,184 4.505,185 0.821,186 2.678,190 2.138,191 4.227,192 4.227,193 18.17,194 6.333,195 1.117,196 10.75,197 1.542,198 3.146,199 4.277,200 71.059,201 1.5,202 1.222,203 7.7,204 2.586,205 -1.334,206 -1.334,207 -1.192,208 6.075,209 1.162,210 2,211 5}
{0 CHEMBL100879,1 6.833,2 5.429,3 5.497,4 13.19,5 11.405,6 11.375,7 11.375,8 11.375,9 9.612,10 10.509,11 11.407,12 12.83,13 6.06,14 12.308,15 3,16 91.968,17 17.227,18 0.28,19 6.485,20 6.485,21 0.358,22 34.142,23 4.141,24 4.141,25 6.141,26 18.818,27 36.549,28 4.226,29 4.226,30 31.726,31 25.648,32 2.15,33 12.088,34 2.225,35 2.225,36 3.426,37 6.838,38 6.838,39 6.076,40 3.809,41 3.015,42 7,43 10.994,44 14.545,45 2.888,46 2.888,47 7.836,48 24.102,49 26.923,50 12.756,51 8.156,52 9.62,53 9.27,54 29.338,55 0.264,56 0.314,57 22.911,58 22.911,59 22.911,60 22.911,61 22.911,62 24.571,63 3,64 2.245,65 0.727,66 2.442,67 2.442,68 7.789,69 8.507,70 19.868,71 2.638,72 2.638,73 5.152,74 2.723,75 0.973,76 7.556,77 12.786,78 14.884,79 22.146,81 0.099,82 3.617,83 14.84,84 2,85 3.994,86 4.883,87 15.867,88 1.309,89 5.221,90 1.402,91 69642,92 0.581,93 0.224,94 10.884,95 7.74,96 0.138,97 43.019,98 2.353,99 6.673,100 3.225,101 2.415,102 2.415,104 8.963,105 3.747,106 4.29,107 9.432,108 9.432,109 4.787,111 4.895,112 0.897,113 6.159,114 1,115 1,116 1070,117 0.515,118 3,119 16.611,120 3.92,121 2.549,122 2.372,123 0.965,124 10,125 3.373,126 1.793,127 0.114,128 4.353,129 5.04,130 4.521,131 65.969,132 2.124,133 2.009,134 3.354,135 0.373,136 1.205,137 4,138 253.041,139 4.538,140 4.241,141 5.542,142 3.584,143 4.346,144 4.346,146 1.967,147 5.4,148 18.14,149 18.14,150 18.14,151 18.14,152 18.14,153 169,154 1.731,155 5,156 2.709,157 2.709,158 11.206,159 1.513,160 3.041,161 7.333,162 29.305,163 21.663,164 2.757,165 4.084,166 1.829,167 7.828,168 14.768,169 3.258,170 3.258,171 3.258,172 42.142,173 3.868,174 5.258,175 2.142,176 2.142,177 1.337,178 1.424,179 1.424,180 0.916,181 1.968,182 9.513,183 7.119,184 5.086,185 1.241,186 3.348,187 3,190 3.069,191 7.342,192 7.342,193 18.861,194 14.697,195 1.565,196 22.25,197 1.661,198 4.3,199 5.293,200 162.465,201 2.362,202 1.315,203 14.779,204 3.355,205 0.618,206 0.618,207 1.045,208 6.404,209 2.461,210 2.041,211 7.131}
{0 CHEMBL100941,1 5.822,2 4.466,3 4.331,4 12.512,5 10.734,6 11.534,7 11.534,8 11.534,9 9.173,10 10.084,11 10.99,12 12.417,13 5.486,14 11.902,16 21.187,17 10.138,18 0.097,19 3.891,20 3.891,21 0.887,22 34.255,23 3.858,24 3.858,25 5.858,26 18.8,27 36.692,28 4.243,29 4.243,30 31.811,32 2.048,33 11.356,34 -1.465,35 -1.465,36 3.034,37 6.889,38 6.889,39 5.318,40 2.821,41 2.402,43 10.617,44 14.211,45 2.579,46 2.579,47 7.208,48 14.556,49 26.937,50 12.401,51 7.757,52 8.963,53 8.869,54 29.385,55 13.391,56 11.599,57 13.386,58 13.386,59 13.386,60 13.386,61 13.386,62 24.538,63 2,64 1.72,65 0.7,66 2.443,67 2.443,68 7.438,69 4.408,70 19.741,71 2.321,72 2.321,73 5.235,74 2.601,75 0.941,76 7.065,77 7.771,78 5.458,79 22.075,81 0.108,82 3.4,83 8.808,84 3,85 3.89,86 4.174,87 10.095,88 0.066,89 4.422,90 1.069,91 6006,92 4.269,93 0.429,94 6.881,95 5.695,96 0.291,97 11.72,98 0.915,99 6.33,100 2.584,101 1.765,102 1.765,104 5.636,105 3.298,106 3.807,107 8.551,108 8.551,109 4.344,110 7,111 4.28,112 -0.398,113 3.518,116 304,117 6.158,118 2,119 10.174,120 2.715,121 1.858,122 1.054,123 -0.183,124 6,125 2.874,126 0.402,127 0.193,128 3.818,129 4.5,130 4.084,131 38.592,132 0.746,133 1.857,134 2.858,135 9.802,136 -0.065,137 3,138 161.881,139 3.099,140 3.732,141 5.373,142 2.865,143 1.691,144 1.691,146 0.813,147 4.717,148 10.76,149 10.76,150 10.76,151 10.76,152 10.76,153 51,154 1.594,155 3,156 1.95,157 1.95,158 7.88,159 0.868,160 2.794,161 4.389,162 29.155,163 20.542,164 32.336,165 2.988,166 0.149,167 7.362,168 13.939,169 3.246,170 3.246,171 3.246,172 26.239,173 3.772,174 5.246,175 -2.202,176 -2.202,177 0.33,178 0.104,179 0.104,180 0.286,181 1.296,182 8.86,183 6.528,184 4.58,185 0.828,186 2.75,190 2.342,191 5.123,192 5.123,193 17.844,194 7.15,195 1.095,196 12.25,197 1.557,198 3.221,199 4.522,200 86.439,201 1.582,202 1.172,203 9.571,204 2.821,205 -1.279,206 -1.279,207 -0.574,208 6.149,209 1.372,210 1.875,211 6.745}
{0 CHEMBL101055,1 5.063,2 3.611,3 3.135,4 0.252,5 0.334,6 13.559,7 13.559,8 13.559,9 8.951,10 9.845,11 10.724,12 12.148,13 0.732,14 11.619,15 1,16 22.553,17 14.778,18 0.033,19 2.766,20 2.766,21 1.058,22 36.501,23 3.706,24 3.706,25 5.706,26 21.404,27 39.106,28 4.455,29 4.455,30 33.893,31 3.124,32 1.955,33 11.147,34 -1.909,35 -1.909,36 2.837,37 7.553,38 7.553,39 4.979,40 2.81,41 1.235,42 1,43 10.633,44 14.434,45 2.168,46 2.168,47 0.57,48 14.808,49 28.68,50 12.513,51 7.869,52 0.438,53 8.811,54 31.289,55 0.035,56 0.054,57 13.223,58 13.223,59 13.223,60 13.223,61 13.223,62 26.083,63 1,64 1.564,65 0.6,66 0.86,67 0.86,68 7.74,69 4.493,70 20.893,71 2,72 2,73 5.378,74 2.581,75 0.873,76 6.949,77 6.586,78 3.32,79 23.468,81 0.111,82 3.143,83 9.215,84 4,85 3.701,86 1.72,87 9.567,88 -0.312,89 3.732,90 1.102,91 2507,92 0.268,93 0.511,94 7.15,95 4.412,96 0.346,97 12.68,98 0.623,99 6.431,100 2,101 1.584,102 1.584,104 6.02,105 3.313,106 3.611,107 8.212,108 8.212,109 4.06,110 6,111 4.082,112 -0.723,113 3.63,116 288,117 0.188,118 2,119 9.549,120 3.165,121 1.586,122 0.667,123 -0.519,124 6,125 2.951,126 0.479,127 0.212,128 3.676,129 4.357,130 4.006,131 35.265,132 0.582,133 1.958,134 2.955,135 0.082,136 -0.402,137 2,138 122.314,139 3.058,140 3.712,141 5.523,142 2.709,143 2.137,144 2.137,146 0.422,147 4.539,148 10.298,149 10.298,150 10.298,151 10.298,152 10.298,153 50,154 1.536,155 2,156 1.785,157 1.785,158 7.148,159 1.293,160 2.941,161 4.528,162 30.358,163 20.133,165 3.458,167 7.186,168 13.687,169 3.484,170 3.484,171 3.484,172 28.813,173 3.7,174 5.484,175 -2,176 -2,177 0.366,178 -0.331,179 -0.331,180 0.8,181 1.228,182 8.679,183 6.358,184 4.472,185 1.064,186 2.574,187 1,190 2.236,191 3.376,192 3.376,193 17.488,194 7.1,195 1.417,196 12,197 1.489,198 2.772,199 3.85,200 80.439,201 1,202 1.174,203 8.652,204 2.581,205 -1,206 -1,207 -0.969,208 6.238,209 0.739,210 1.805,211 7.056}
{0 CHEMBL101250,1 6.051,2 4.997,3 4.92,4 0.043,5 0.066,6 13.933,7 13.933,8 13.933,9 9.447,10 10.41,11 11.362,12 12.808,13 0.239,14 12.326,15 1,16 9.495,17 9.709,18 0.083,19 4.731,20 4.731,21 0.844,22 36.889,23 3.805,24 3.805,25 5.805,26 21.997,27 39.52,28 4.587,29 4.587,30 34.257,31 3.124,32 2.159,33 11.27,34 -2.627,35 -2.627,36 3.016,37 7.619,38 7.619,39 5.365,40 2.681,41 0.673,42 1,43 10.99,44 14.776,45 2.757,46 2.757,47 0.156,48 14.532,49 29.001,50 12.868,51 8.207,52 0.102,53 9.155,54 31.633,55 0.035,56 0.054,57 12.626,58 12.626,59 12.626,60 12.626,61 12.626,62 26.391,64 1.87,65 0.842,66 0.8,67 0.8,68 8.036,69 4.104,70 21.187,71 2.279,72 2.279,73 5.501,74 2.747,75 0.926,76 7.163,77 7.854,78 1.6,79 23.756,81 0.121,82 3.161,83 8.908,84 4,85 3.794,86 1.2,87 9.233,88 -0.138,89 4.743,90 1.129,91 10992,92 0.268,93 0.398,94 7.297,95 5.791,96 0.272,97 10.127,98 0.842,99 6.781,100 2.5,101 1.915,102 1.915,104 5.984,105 3.331,106 3.932,107 9.666,108 9.666,109 4.635,110 8,111 4.28,112 -0.769,113 3.359,116 288,117 0.188,118 2,119 9.06,120 2.64,121 1.738,122 0.838,123 -0.263,124 6,125 2.895,126 0.249,127 0.209,128 3.818,129 4.5,130 4.214,131 38.895,132 0.5,133 1.864,134 2.869,135 0.082,136 -0.473,137 2,138 148.045,139 3.056,140 3.705,141 5.63,142 2.93,143 2.275,144 2.275,146 0.713,147 4.77,148 10.873,149 10.873,150 10.873,151 10.873,152 10.873,153 46,154 1.707,155 2,156 1.937,157 1.937,158 8.262,159 1.155,160 2.757,161 3.847,162 30.583,163 20.154,165 2.906,167 7.542,168 13.784,169 3.62,170 3.62,171 3.62,172 26.836,173 3.789,174 5.62,175 -3,176 -3,177 0.234,178 -0.141,179 -0.141,181 1.508,182 8.826,183 6.518,184 4.61,185 0.844,186 2.894,190 2.518,191 6.11,192 6.11,193 17.544,194 6.684,195 1.181,196 12,197 1.6,198 3.414,199 4.997,200 76.711,201 1.5,202 1.146,203 9.303,204 2.715,205 -1,206 -1,207 -0.838,208 6.618,209 0.96,210 1.983,211 6.833}
{0 CHEMBL101361,1 6.916,2 5.468,3 5.545,4 13.19,5 11.405,6 11.375,7 11.375,8 11.375,9 9.692,10 10.589,11 11.486,12 12.909,13 6.061,14 12.386,15 3,16 111.397,17 17.227,18 0.296,19 6.515,20 6.515,21 0.34,22 34.249,23 4.141,24 4.141,25 6.141,26 18.818,27 36.646,28 4.226,29 4.226,30 31.843,31 25.648,32 2.12,33 12.236,34 2.77,35 2.77,36 3.246,37 6.838,38 6.838,39 6.178,40 3.889,41 3.085,42 7,43 11.092,44 14.658,45 2.89,46 2.89,47 7.836,48 26.087,49 27.057,50 12.862,51 8.247,52 9.62,53 9.361,54 29.463,55 0.264,56 0.314,57 24.988,58 24.988,59 24.988,60 24.988,61 24.988,62 24.711,63 4,64 2.255,65 0.694,66 2.442,67 2.442,68 7.901,69 9.156,70 20.015,71 2.649,72 2.649,73 5.152,74 2.924,75 0.959,76 7.636,77 13.804,78 16.604,79 22.293,81 0.106,82 3.611,83 16.625,84 6,85 3.897,86 4.883,87 16.867,88 1.341,89 5.234,90 1.458,91 97420,92 0.581,93 0.216,94 11.835,95 7.357,96 0.132,97 47.938,98 2.393,99 6.758,100 3.255,101 2.421,102 2.421,104 9.792,105 3.818,106 4.369,107 9.898,108 9.898,109 4.89,111 4.984,112 1.136,113 6.602,114 1,115 1,116 1227,117 0.515,118 3,119 17.605,120 4.053,121 2.61,122 2.627,123 1.311,124 12,125 3.397,126 2.085,127 0.106,128 4.431,129 5.118,130 4.617,131 71.086,132 2.452,133 2.023,134 3.39,135 0.373,136 1.678,137 6,138 254.658,139 4.726,140 4.324,141 5.542,142 3.613,143 5.62,144 5.62,146 2.356,147 5.496,148 19.544,149 19.544,150 19.544,151 19.544,152 19.544,153 202,154 1.769,155 6,156 2.837,157 2.837,158 11.906,159 1.566,160 3.046,161 8.111,162 29.462,163 21.848,164 2.757,165 4.185,166 1.967,167 7.907,168 14.935,169 3.258,170 3.258,171 3.258,172 45.472,173 3.883,174 5.258,175 2.275,176 2.275,177 1.437,178 1.492,179 1.492,180 0.916,181 2.053,182 9.636,183 7.216,184 5.159,185 1.223,186 3.355,187 4,190 3.123,191 7.355,192 7.355,193 19.037,194 15.611,195 1.572,196 24.25,197 1.728,198 4.543,199 5.338,200 182.117,201 2.374,202 1.358,203 15.268,204 3.482,205 0.919,206 0.919,207 1.449,208 6.535,209 2.796,210 2,211 7.292}
{0 CHEMBL101411,1 6.885,2 5.438,3 5.513,4 13.19,5 11.405,6 11.375,7 11.375,8 11.375,9 9.607,10 10.501,11 11.396,12 12.819,13 6.06,14 12.295,15 3,16 95.469,17 17.227,18 0.333,19 6.483,20 6.483,21 0.337,22 34.127,23 4.141,24 4.141,25 6.141,26 18.818,27 36.537,28 4.226,29 4.226,30 31.707,31 25.648,32 2.145,33 12.085,34 2.275,35 2.275,36 3.426,37 6.838,38 6.838,39 6.143,40 3.914,41 3.015,42 7,43 10.965,44 14.492,45 2.888,46 2.888,47 7.836,48 24.564,49 26.892,50 12.714,51 8.135,52 9.62,53 9.254,54 29.313,55 0.264,56 0.314,57 23.566,58 23.566,59 23.566,60 23.566,61 23.566,62 24.532,63 4,64 2.25,65 0.735,66 2.442,67 2.442,68 7.751,69 9.037,70 19.816,71 2.609,72 2.609,73 5.152,74 2.723,75 0.972,76 7.572,77 12.911,78 14.884,79 22.1,81 0.105,82 3.622,83 15.504,84 6,85 3.979,86 4.883,87 16.248,88 1.314,89 5.219,90 1.399,91 84391,92 0.581,93 0.216,94 11.138,95 6.965,96 0.132,97 47.574,98 2.36,99 6.635,100 3.278,101 2.418,102 2.418,104 9.147,105 3.758,106 4.29,107 9.432,108 9.432,109 4.836,110 1,111 4.916,112 1,113 6.399,116 1203,117 0.515,118 3,119 16.928,120 3.953,121 2.64,122 2.5,123 1.109,124 12,125 3.339,126 1.808,127 0.111,128 4.382,129 5.069,130 4.547,131 67.732,132 2.446,133 2.017,134 3.33,135 0.373,136 1.511,137 6,138 247.426,139 4.662,140 4.271,141 5.542,142 3.595,143 5.682,144 5.682,146 2.128,147 5.424,148 18.645,149 18.645,150 18.645,151 18.645,152 18.645,153 185,154 1.762,155 6,156 2.824,157 2.824,158 11.697,159 1.513,160 3.031,161 7.556,162 29.232,163 21.616,164 2.757,165 4.094,166 1.967,167 7.831,168 14.749,169 3.258,170 3.258,171 3.258,172 42.353,173 3.871,174 5.258,175 2.275,176 2.275,177 1.347,178 1.431,179 1.431,180 0.916,181 1.98,182 9.527,183 7.145,184 5.112,185 1.208,186 3.352,187 3,190 3.088,191 7.149,192 7.149,193 18.81,194 16.059,195 1.554,196 23,197 1.727,198 4.543,199 5.293,200 164.974,201 2.391,202 1.352,203 15.062,204 3.483,205 0.915,206 0.915,207 1.432,208 6.357,209 2.66,210 2.04,211 8.886}
{0 CHEMBL101596,1 6.828,2 5.429,3 5.505,4 13.19,5 11.405,6 11.375,7 11.375,8 11.375,9 9.605,10 10.504,11 11.4,12 12.825,13 6.062,14 12.303,15 3,16 95.154,17 17.227,18 0.305,19 6.609,20 6.609,21 0.361,22 34.129,23 4.141,24 4.141,25 6.141,26 18.818,27 36.539,28 4.226,29 4.226,30 31.71,31 25.648,32 2.15,33 12.048,34 2.275,35 2.275,36 3.414,37 6.838,38 6.838,39 6.08,40 3.805,41 3.059,42 7,43 10.963,44 14.496,45 2.897,46 2.897,47 7.836,48 24.102,49 26.897,50 12.716,51 8.133,52 9.62,53 9.249,54 29.317,55 0.684,56 0.653,57 22.859,58 22.859,59 22.859,60 22.859,61 22.859,62 24.54,63 3,64 2.26,65 0.727,66 2.442,67 2.442,68 7.751,69 8.456,70 19.828,71 2.583,72 2.583,73 5.152,74 2.724,75 0.973,76 7.554,77 12.497,78 15.886,79 22.109,81 0.1,82 3.628,83 14.817,84 2,85 3.994,86 4.883,87 15.867,88 1.304,89 5.249,90 1.339,91 69427,92 0.581,93 0.226,94 10.839,95 7.3,96 0.139,97 42.788,98 2.347,99 6.648,100 3.223,101 2.421,102 2.421,104 8.944,105 3.747,106 4.277,107 9.432,108 9.432,109 4.787,111 4.88,112 0.94,113 6.218,114 1,115 1,116 1068,117 0.58,118 3,119 16.64,120 3.925,121 2.572,122 2.446,123 0.965,124 10,125 3.401,126 1.788,127 0.114,128 4.353,129 5.04,130 4.528,131 65.918,132 2.124,133 2.011,134 3.377,135 0.623,136 1.181,137 4,138 248.867,139 4.536,140 4.241,141 5.542,142 3.633,143 4.984,144 4.984,146 1.985,147 5.407,148 18.178,149 18.178,150 18.178,151 18.178,152 18.178,153 168,154 1.731,155 5,156 2.861,157 2.861,158 11.191,159 1.513,160 3.032,161 7.306,162 29.241,163 21.604,164 2.757,165 4.095,166 1.836,167 7.821,168 14.716,169 3.258,170 3.258,171 3.258,172 42.142,173 3.863,174 5.258,175 2.197,176 2.197,177 1.332,178 1.419,179 1.419,180 1.012,181 2.077,182 9.49,183 7.112,184 5.086,185 1.272,186 3.358,187 3,190 3.155,191 7.21,192 7.21,193 18.8,194 14.667,195 1.557,196 22.25,197 1.66,198 4.53,199 5.293,200 162.465,201 2.352,202 1.313,203 14.822,204 3.456,205 0.618,206 0.618,207 1.045,208 6.417,209 2.525,210 2.041,211 8.721}
{0 CHEMBL101899,1 4.892,2 3.434,3 2.833,4 0.043,5 0.066,6 13.559,7 13.559,8 13.559,9 8.908,10 9.804,11 10.68,12 12.105,13 0.239,14 11.577,15 1,16 9.81,17 14.778,18 0.02,19 2.712,20 2.712,21 1.1,22 36.5,23 3.706,24 3.706,25 5.706,26 21.402,27 39.106,28 4.455,29 4.455,30 33.892,31 3.124,32 1.952,33 11.117,34 -2,35 -2,36 2.861,37 7.553,38 7.553,39 4.873,40 2.695,41 0.673,42 1,43 10.605,44 14.413,45 2.16,46 2.16,47 0.156,48 14.06,49 28.679,50 12.489,51 7.845,52 0.102,53 8.78,54 31.288,55 0.035,56 0.054,57 12.353,58 12.353,59 12.353,60 12.353,61 12.353,62 26.081,63 1,64 1.528,65 0.632,66 0.8,67 0.8,68 7.716,69 4.276,70 20.89,71 1.946,72 1.946,73 5.377,74 2.513,75 0.884,76 6.927,77 6.162,78 1.6,79 23.466,81 0.111,82 3.292,83 8.526,84 4,85 3.768,86 1.2,87 9.448,88 -0.312,89 3.732,90 1.064,91 2146,92 0.268,93 0.52,94 6.808,95 4.402,96 0.355,97 11.341,98 0.471,99 6.415,100 2,101 1.575,102 1.575,104 5.693,105 3.271,106 3.555,107 8.114,108 8.114,109 4.007,110 8,111 4.03,112 -0.9,113 3.484,116 246,117 0.188,118 2,119 9.299,120 2.809,121 1.586,122 0.661,123 -0.544,124 6,125 2.941,126 -0.331,127 0.223,128 3.651,129 4.331,130 3.952,131 34.093,132 0.199,133 1.949,134 2.91,135 0.082,136 -0.6,137 2,138 124.415,139 2.968,140 3.661,141 5.522,142 2.692,143 2.136,144 2.136,146 0.303,147 4.49,148 9.871,149 9.871,150 9.871,151 9.871,152 9.871,153 45,154 1.476,155 2,156 1.764,157 1.764,158 7.007,159 1.103,160 2.799,161 4.194,162 30.355,163 20.084,165 3.228,166 -0.048,167 7.143,168 13.653,169 3.484,170 3.484,171 3.484,172 27.455,173 3.703,174 5.484,175 -2.508,176 -2.508,177 -0.254,178 -0.395,179 -0.395,181 1.159,182 8.653,183 6.334,184 4.437,185 0.849,186 2.559,190 2.194,191 3.355,192 3.355,193 17.444,194 6.368,195 1.293,196 11.25,197 1.487,198 2.75,199 3.714,200 74.711,201 1,202 1.173,203 8.891,204 2.581,205 -1,206 -1,207 -1,208 6.184,209 0.681,210 1.795,211 6.535}
{0 CHEMBL101905,1 6.051,2 4.89,3 4.804,4 0.903,5 0.914,6 12.21,7 12.21,8 12.21,9 9.316,10 10.259,11 11.2,12 12.639,13 0.992,14 12.146,15 1,16 12.681,17 25.476,18 0.083,19 4.614,20 4.614,21 0.826,22 35.055,23 3.666,24 3.666,25 5.666,26 19.832,27 37.549,28 4.364,29 4.364,30 32.555,31 3.124,32 2.217,33 11.154,34 -2.258,35 -2.258,36 2.904,37 7.07,38 7.07,39 5.365,40 2.697,41 1.232,42 1,43 10.7,44 14.347,45 2.601,46 2.601,47 0.955,48 13.874,49 27.569,50 12.51,51 7.86,52 0.931,53 8.929,54 30.071,55 0.666,56 0.624,57 12.309,58 12.309,59 12.309,60 12.309,61 12.309,62 25.107,64 1.701,65 0.889,66 1.012,67 1.012,68 7.567,69 4.055,70 20.187,71 2.222,72 2.222,73 5.31,74 2.687,75 0.999,76 7.056,77 7.557,78 3.18,79 22.593,81 0.119,82 3.16,83 8.646,84 4,85 3.792,86 1.925,87 8.9,88 -0.185,89 4.626,90 1.124,91 9636,92 0.393,93 0.396,94 6.981,95 5.427,96 0.27,97 9.321,98 0.809,99 6.399,100 2.5,101 1.729,102 1.729,104 5.737,105 3.289,106 3.871,107 9.253,108 9.253,109 4.533,110 9,111 4.28,112 -0.824,113 3.315,114 1,115 1,116 273,117 0.458,118 2,119 8.737,120 2.525,121 1.737,122 0.958,123 -0.312,124 6,125 2.894,126 0.248,127 0.208,128 3.795,129 4.477,130 4.141,131 38.017,132 0.5,133 1.853,134 2.868,135 0.576,136 -0.603,137 2,138 135.497,139 3.043,140 3.66,141 5.453,142 2.864,143 2.275,144 2.275,146 0.671,147 4.77,148 10.37,149 10.37,150 10.37,151 10.37,152 10.37,153 43,154 1.683,155 2,156 1.856,157 1.856,158 8.261,159 1.075,160 2.742,161 3.75,162 29.535,163 19.956,165 2.802,167 7.44,168 13.644,169 3.39,170 3.39,171 3.39,172 25.62,173 3.79,174 5.39,175 -3,176 -3,177 0.233,178 -0.186,179 -0.186,180 0.578,181 1.501,182 8.739,183 6.467,184 4.57,185 0.821,186 2.714,190 2.513,191 5.269,192 5.269,193 17.359,194 6.611,195 1.181,196 11.25,197 1.598,198 3.318,199 4.875,200 71.059,201 1.5,202 1.165,203 8.375,204 2.714,205 -1.273,206 -1.273,207 -1.032,208 6.292,209 1,210 2.077,211 7.481}
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{0 CHEMBL2012102,1 6.857,2 4.934,3 4.997,4 12.512,5 10.734,6 11.523,7 11.523,8 11.523,9 9.378,10 10.286,11 11.19,12 12.616,13 5.49,14 12.099,15 1,16 19.27,17 7.604,18 0.191,19 5.114,20 5.114,21 0.599,22 34.351,23 3.875,24 3.875,25 5.875,26 18.769,27 36.774,28 4.225,29 4.225,30 31.921,31 1.899,32 2.135,33 11.779,34 0.607,35 0.607,36 3.259,37 6.887,38 6.887,39 5.811,40 3.084,41 2.527,43 10.799,44 14.402,45 2.692,46 2.692,47 7.209,48 17.53,49 27.08,50 12.587,51 7.949,52 8.963,53 9.05,54 29.511,55 13.391,56 11.599,57 16.455,58 16.455,59 16.455,60 16.455,61 16.455,62 24.697,64 1.99,65 0.792,66 2.443,67 2.443,68 7.63,69 5.56,70 19.929,71 2.398,72 2.398,73 5.185,74 2.903,75 0.972,76 7.293,77 9.482,78 7.178,79 22.253,81 0.102,82 3.395,83 11.22,84 4,85 3.872,86 4.174,87 11.4,88 0.833,89 4.833,90 1.378,91 15165,92 4.269,93 0.324,94 8.271,95 5.543,96 0.211,97 18.938,98 1.832,99 6.494,100 2.641,101 2.059,102 2.059,104 6.805,105 3.463,106 4.025,107 9.951,108 9.951,109 4.511,110 6,111 4.631,112 0.318,113 4.37,116 469,117 6.158,118 3,119 11.669,120 3.288,121 1.858,122 1.698,123 0.627,124 10,125 3.069,126 1.5,127 0.156,128 4.09,129 4.775,130 4.306,131 49.998,132 1.491,133 1.884,134 3.059,135 9.802,136 0.894,137 2,138 171.634,139 3.584,140 3.924,141 5.404,142 3.395,143 2.677,144 2.677,146 1.613,147 5.154,148 13.248,149 13.248,150 13.248,151 13.248,152 13.248,153 80,154 1.744,155 3,156 2.571,157 2.571,158 9.393,159 1.214,160 2.872,161 5.25,162 29.359,163 21.192,164 43.336,165 3.425,166 0.853,167 7.57,168 14.419,169 3.242,170 3.242,171 3.242,172 30.745,173 3.824,174 5.242,175 -0.377,176 -0.377,177 1,178 0.854,179 0.854,180 0.86,181 1.677,182 9.232,183 6.85,184 4.81,185 1.188,186 3.028,190 2.724,191 5.89,192 5.89,193 18.432,194 8.875,195 1.23,196 15.5,197 1.555,198 3.414,199 4.852,200 99.284,201 1.654,202 1.27,203 10.548,204 2.865,205 -0.309,206 -0.309,207 0.381,208 6.35,209 2.289,210 2,211 6.403}
{0 CHEMBL2012103,1 6.787,2 4.875,3 4.883,4 12.512,5 10.734,6 11.523,7 11.523,8 11.523,9 9.31,10 10.215,11 11.117,12 12.542,13 5.49,14 12.024,15 1,16 26.418,17 7.604,18 0.191,19 4.717,20 4.717,21 0.613,22 34.264,23 3.875,24 3.875,25 5.875,26 18.766,27 36.696,28 4.224,29 4.224,30 31.827,31 16.786,32 2.168,33 11.557,34 0.605,35 0.605,36 3.479,37 6.887,38 6.887,39 5.764,40 3.074,41 2.527,43 10.699,44 14.284,45 2.62,46 2.62,47 7.209,48 16.725,49 26.969,50 12.477,51 7.854,52 8.963,53 8.96,54 29.408,55 13.391,56 11.599,57 15.955,58 15.955,59 15.955,60 15.955,61 15.955,62 24.578,64 1.733,65 0.826,66 2.443,67 2.443,68 7.519,69 5.386,70 19.8,71 2.394,72 2.394,73 5.183,74 2.717,75 0.978,76 7.224,77 9.016,78 7.178,79 22.128,81 0.102,82 3.395,83 10.377,84 4,85 3.93,86 4.174,87 11.233,88 0.625,89 4.596,90 1.203,91 13031,92 4.269,93 0.329,94 7.716,95 5.805,96 0.215,97 17.875,98 1.609,99 6.382,100 2.631,101 1.877,102 1.877,104 6.307,105 3.417,106 3.97,107 9.07,108 9.07,109 4.466,110 5,111 4.571,112 0.317,113 4.324,116 448,117 6.158,118 3,119 11.712,120 3.172,121 1.858,122 1.698,123 0.485,124 9,125 3.068,126 1.209,127 0.162,128 4.039,129 4.723,130 4.222,131 47.898,132 1.491,133 1.845,134 3.056,135 9.802,136 0.618,137 2,138 181.453,139 3.543,140 3.886,141 5.358,142 3.278,143 2.275,144 2.275,146 1.416,147 5.087,148 12.781,149 12.781,150 12.781,151 12.781,152 12.781,153 73,154 1.577,155 3,156 2.537,157 2.537,158 9.204,159 1.181,160 2.871,161 5.056,162 29.212,163 20.686,164 72.822,165 3.366,166 0.85,167 7.509,168 14.121,169 3.242,170 3.242,171 3.242,172 28.87,173 3.784,174 5.242,175 -0.388,176 -0.388,177 0.787,178 0.682,179 0.682,180 0.86,181 1.646,182 9.082,183 6.761,184 4.769,185 1.152,186 2.809,190 2.708,191 5.224,192 5.224,193 17.998,194 8.783,195 1.214,196 14.75,197 1.554,198 3.33,199 4.787,200 100.042,201 1.643,202 1.265,203 10.604,204 2.865,205 -0.352,206 -0.352,207 0.381,208 6.206,209 2.118,210 2.06,211 6.893}
{0 CHEMBL2012104,1 6.787,2 4.875,3 4.883,4 12.512,5 10.734,6 11.523,7 11.523,8 11.523,9 9.31,10 10.215,11 11.117,12 12.542,13 5.49,14 12.024,16 26.878,17 7.604,18 0.191,19 4.717,20 4.717,21 0.613,22 34.264,23 3.875,24 3.875,25 5.875,26 18.766,27 36.696,28 4.224,29 4.224,30 31.827,32 2.168,33 11.557,34 0.605,35 0.605,36 3.286,37 6.887,38 6.887,39 5.764,40 3.074,41 2.527,43 10.699,44 14.284,45 2.62,46 2.62,47 7.209,48 16.65,49 26.969,50 12.477,51 7.854,52 8.963,53 8.96,54 29.408,55 13.391,56 11.599,57 15.955,58 15.955,59 15.955,60 15.955,61 15.955,62 24.578,64 1.864,65 0.826,66 2.443,67 2.443,68 7.519,69 5.386,70 19.8,71 2.394,72 2.394,73 5.185,74 2.859,75 0.971,76 7.224,77 9.016,78 7.178,79 22.128,81 0.102,82 3.395,83 10.784,84 4,85 3.845,86 4.174,87 10.833,88 0.628,89 4.596,90 1.22,91 13031,92 4.269,93 0.329,94 7.858,95 5.109,96 0.215,97 17.875,98 1.618,99 6.382,100 2.631,101 1.877,102 1.877,104 6.427,105 3.41,106 3.97,107 9.07,108 9.07,109 4.466,110 6,111 4.571,112 0.318,113 4.324,116 448,117 6.158,118 3,119 11.258,120 3.16,121 1.858,122 1.698,123 0.618,124 10,125 3.067,126 1.209,127 0.162,128 4.039,129 4.723,130 4.275,131 47.898,132 1.491,133 1.855,134 3.057,135 9.802,136 0.618,137 2,138 164.624,139 3.543,140 3.886,141 5.358,142 3.278,143 2.275,144 2.275,146 1.613,147 5.087,148 12.781,149 12.781,150 12.781,151 12.781,152 12.781,153 73,154 1.587,155 3,156 2.537,157 2.537,158 9.204,159 1.181,160 2.871,161 5.056,162 29.212,163 20.686,164 43.336,165 3.276,166 0.851,167 7.509,168 14.121,169 3.242,170 3.242,171 3.242,172 28.432,173 3.792,174 5.242,175 -0.388,176 -0.388,177 0.854,178 0.682,179 0.682,180 0.86,181 1.671,182 9.082,183 6.761,184 4.769,185 1.176,186 2.871,190 2.717,191 5.224,192 5.224,193 17.998,194 8.783,195 1.214,196 14.75,197 1.554,198 3.33,199 4.787,200 100.042,201 1.643,202 1.265,203 10.021,204 2.865,205 -0.352,206 -0.352,207 0.381,208 6.293,209 2.118,210 2.06,211 7.523}
{0 CHEMBL2012105,1 6.857,2 4.934,3 4.997,4 12.512,5 10.734,6 11.523,7 11.523,8 11.523,9 9.378,10 10.286,11 11.19,12 12.616,13 5.49,14 12.099,15 1,16 19.27,17 7.604,18 0.191,19 5.114,20 5.114,21 0.599,22 34.351,23 3.875,24 3.875,25 5.875,26 18.769,27 36.774,28 4.225,29 4.225,30 31.921,31 1.899,32 2.135,33 11.779,34 0.607,35 0.607,36 3.259,37 6.887,38 6.887,39 5.811,40 3.084,41 2.527,43 10.799,44 14.402,45 2.692,46 2.692,47 7.209,48 17.53,49 27.08,50 12.587,51 7.949,52 8.963,53 9.05,54 29.511,55 13.391,56 11.599,57 16.455,58 16.455,59 16.455,60 16.455,61 16.455,62 24.697,64 1.99,65 0.792,66 2.443,67 2.443,68 7.63,69 5.56,70 19.929,71 2.398,72 2.398,73 5.185,74 2.903,75 0.972,76 7.293,77 9.482,78 7.178,79 22.253,81 0.102,82 3.395,83 11.22,84 4,85 3.872,86 4.174,87 11.4,88 0.833,89 4.833,90 1.378,91 15165,92 4.269,93 0.324,94 8.271,95 5.543,96 0.211,97 18.938,98 1.832,99 6.494,100 2.641,101 2.059,102 2.059,104 6.805,105 3.463,106 4.025,107 9.951,108 9.951,109 4.511,110 6,111 4.631,112 0.318,113 4.37,116 469,117 6.158,118 3,119 11.669,120 3.288,121 1.858,122 1.698,123 0.627,124 10,125 3.069,126 1.5,127 0.156,128 4.09,129 4.775,130 4.306,131 49.998,132 1.491,133 1.884,134 3.059,135 9.802,136 0.894,137 2,138 171.634,139 3.584,140 3.924,141 5.404,142 3.395,143 2.677,144 2.677,146 1.613,147 5.154,148 13.248,149 13.248,150 13.248,151 13.248,152 13.248,153 80,154 1.744,155 3,156 2.571,157 2.571,158 9.393,159 1.214,160 2.872,161 5.25,162 29.359,163 21.192,164 43.336,165 3.425,166 0.853,167 7.57,168 14.419,169 3.242,170 3.242,171 3.242,172 30.745,173 3.824,174 5.242,175 -0.377,176 -0.377,177 1,178 0.854,179 0.854,180 0.86,181 1.677,182 9.232,183 6.85,184 4.81,185 1.188,186 3.028,190 2.724,191 5.89,192 5.89,193 18.432,194 8.875,195 1.23,196 15.5,197 1.555,198 3.414,199 4.852,200 99.284,201 1.654,202 1.27,203 10.548,204 2.865,205 -0.309,206 -0.309,207 0.381,208 6.35,209 2.289,210 2,211 6.247}
{0 CHEMBL2012106,1 6.721,2 4.86,3 4.883,4 12.512,5 10.734,6 11.536,7 11.536,8 11.536,9 9.321,10 10.229,11 11.133,12 12.559,13 5.49,14 12.042,16 26.878,17 7.604,18 0.153,19 4.688,20 4.688,21 0.675,22 34.287,23 3.876,24 3.876,25 5.876,26 18.811,27 36.718,28 4.229,29 4.229,30 31.848,32 2.168,33 11.57,34 0.592,35 0.592,36 3.286,37 6.89,38 6.89,39 5.769,40 3.002,41 2.527,43 10.7,44 14.288,45 2.605,46 2.605,47 7.209,48 16.65,49 26.989,50 12.48,51 7.857,52 8.963,53 8.96,54 29.429,55 13.391,56 11.599,57 15.955,58 15.955,59 15.955,60 15.955,61 15.955,62 24.599,64 1.849,65 0.826,66 2.443,67 2.443,68 7.519,69 5.023,70 19.819,71 2.39,72 2.39,73 5.192,74 2.865,75 0.971,76 7.224,77 8.954,78 7.178,79 22.146,81 0.105,82 3.395,83 10.784,84 4,85 3.84,86 4.174,87 10.833,88 0.628,89 4.612,90 1.22,91 13031,92 4.269,93 0.345,94 7.857,95 5.085,96 0.229,97 15.388,98 1.618,99 6.382,100 2.764,101 1.865,102 1.865,104 6.428,105 3.41,106 3.97,107 9.205,108 9.205,109 4.489,110 8,111 4.571,112 0.314,113 4.356,116 406,117 6.158,118 3,119 11.258,120 3.311,121 1.866,122 1.695,123 0.618,124 10,125 3.073,126 1.171,127 0.163,128 4.039,129 4.723,130 4.275,131 47.944,132 1.49,133 1.853,134 3.063,135 9.802,136 0.618,137 2,138 164.624,139 3.493,140 3.886,141 5.38,142 3.237,143 2.563,144 2.563,146 1.613,147 5.101,148 12.797,149 12.797,150 12.797,151 12.797,152 12.797,153 68,154 1.587,155 3,156 2.476,157 2.476,158 9.26,159 1.214,160 2.872,161 5.056,162 29.223,163 20.761,164 43.336,165 3.434,166 0.845,167 7.514,168 14.148,169 3.246,170 3.246,171 3.246,172 28.432,173 3.786,174 5.246,175 -0.412,176 -0.412,177 0.79,178 0.683,179 0.683,180 0.86,181 1.665,182 9.085,183 6.761,184 4.769,185 1.184,186 2.857,190 2.711,191 5.244,192 5.244,193 18.054,194 8,195 1.215,196 14.75,197 1.554,198 3.287,199 4.804,200 104.042,201 1.851,202 1.272,203 10.033,204 2.865,205 -0.463,206 -0.463,207 0.376,208 6.293,209 2.118,210 2.06,211 7.114}
{0 CHEMBL2012107,1 6.721,2 4.86,3 4.883,4 12.512,5 10.734,6 11.536,7 11.536,8 11.536,9 9.321,10 10.229,11 11.133,12 12.559,13 5.49,14 12.042,16 17.371,17 7.604,18 0.153,19 4.688,20 4.688,21 0.675,22 34.287,23 3.876,24 3.876,25 5.876,26 18.811,27 36.718,28 4.229,29 4.229,30 31.848,32 2.168,33 11.57,34 0.592,35 0.592,36 3.286,37 6.89,38 6.89,39 5.769,40 3.002,41 2.527,43 10.7,44 14.288,45 2.605,46 2.605,47 7.209,48 16.854,49 26.989,50 12.48,51 7.857,52 8.963,53 8.96,54 29.429,55 13.391,56 11.599,57 15.955,58 15.955,59 15.955,60 15.955,61 15.955,62 24.599,64 1.768,65 0.826,66 2.443,67 2.443,68 7.519,69 5.023,70 19.819,71 2.39,72 2.39,73 5.189,74 2.761,75 0.981,76 7.224,77 8.954,78 7.178,79 22.146,81 0.105,82 3.395,83 10.427,84 4,85 3.928,86 4.174,87 11.333,88 0.628,89 4.612,90 1.278,91 13031,92 4.269,93 0.345,94 7.857,95 6.004,96 0.229,97 15.388,98 1.613,99 6.382,100 2.764,101 1.865,102 1.865,104 6.428,105 3.441,106 3.97,107 9.205,108 9.205,109 4.489,110 10,111 4.571,112 0.314,113 4.356,116 406,117 6.158,118 3,119 11.712,120 3.389,121 1.866,122 1.695,123 0.506,124 10,125 3.074,126 1.171,127 0.163,128 4.039,129 4.723,130 4.235,131 47.944,132 1.49,133 1.849,134 3.063,135 9.802,136 0.618,137 2,138 179.343,139 3.493,140 3.886,141 5.38,142 3.237,143 2.563,144 2.563,146 1.462,147 5.101,148 12.797,149 12.797,150 12.797,151 12.797,152 12.797,153 68,154 1.579,155 3,156 2.476,157 2.476,158 9.26,159 1.211,160 2.872,161 5.056,162 29.223,163 20.761,164 43.336,165 3.581,166 0.845,167 7.514,168 14.148,169 3.246,170 3.246,171 3.246,172 29.625,173 3.81,174 5.246,175 -0.412,176 -0.412,177 0.738,178 0.683,179 0.683,180 0.86,181 1.654,182 9.085,183 6.761,184 4.769,185 1.188,186 2.821,190 2.705,191 5.244,192 5.244,193 18.054,194 8,195 1.214,196 14.25,197 1.554,198 3.287,199 4.804,200 104.042,201 1.851,202 1.272,203 10.616,204 2.865,205 -0.463,206 -0.463,207 0.376,208 6.223,209 2.118,210 2.06,211 6.542}
{0 CHEMBL2012108,1 6.818,2 4.942,3 4.97,4 12.512,5 10.734,6 11.538,7 11.538,8 11.538,9 9.388,10 10.299,11 11.206,12 12.632,13 5.49,14 12.118,15 1,16 19.27,17 7.604,18 0.26,19 5.065,20 5.065,21 0.663,22 34.375,23 3.876,24 3.876,25 5.876,26 18.824,27 36.799,28 4.231,29 4.231,30 31.944,31 1.899,32 2.135,33 11.789,34 0.592,35 0.592,36 3.259,37 6.89,38 6.89,39 5.826,40 3.015,41 2.527,43 10.801,44 14.405,45 2.63,46 2.63,47 7.209,48 17.53,49 27.101,50 12.589,51 7.951,52 8.963,53 9.051,54 29.534,55 13.391,56 11.599,57 16.455,58 16.455,59 16.455,60 16.455,61 16.455,62 24.717,64 1.957,65 0.792,66 2.443,67 2.443,68 7.63,69 5.167,70 19.947,71 2.399,72 2.399,73 5.192,74 2.906,75 0.972,76 7.293,77 9.421,78 7.178,79 22.27,81 0.105,82 3.395,83 11.22,84 4,85 3.867,86 4.174,87 11.4,88 0.769,89 4.822,90 1.386,91 15165,92 4.269,93 0.341,94 8.271,95 5.519,96 0.226,97 16.438,98 1.767,99 6.494,100 2.779,101 2.021,102 2.021,104 6.807,105 3.463,106 4.025,107 9.999,108 9.999,109 4.533,110 8,111 4.631,112 0.314,113 4.403,116 425,117 6.158,118 3,119 11.669,120 3.509,121 1.878,122 1.695,123 0.628,124 10,125 3.074,126 1.436,127 0.157,128 4.09,129 4.775,130 4.306,131 50.046,132 1.49,133 1.879,134 3.064,135 9.802,136 0.788,137 2,138 171.634,139 3.532,140 3.924,141 5.427,142 3.333,143 2.722,144 2.722,146 1.613,147 5.167,148 13.265,149 13.265,150 13.265,151 13.265,152 13.265,153 74,154 1.747,155 3,156 2.537,157 2.537,158 9.451,159 1.214,160 2.872,161 5.25,162 29.369,163 21.24,164 43.336,165 3.663,166 0.845,167 7.574,168 14.439,169 3.248,170 3.248,171 3.248,172 30.745,173 3.817,174 5.248,175 -0.412,176 -0.412,177 1.095,178 0.785,179 0.785,180 0.86,181 1.672,182 9.235,183 6.85,184 4.81,185 1.19,186 2.992,190 2.72,191 5.87,192 5.87,193 18.47,194 8.083,195 1.226,196 15.5,197 1.554,198 3.479,199 4.868,200 103.284,201 1.854,202 1.278,203 10.56,204 2.865,205 -0.446,206 -0.446,207 0.376,208 6.35,209 2.272,210 2,211 6.848}
{0 CHEMBL2012109,1 6.721,2 4.86,3 4.883,4 12.512,5 10.734,6 11.536,7 11.536,8 11.536,9 9.321,10 10.229,11 11.133,12 12.559,13 5.49,14 12.042,15 1,16 26.418,17 7.604,18 0.153,19 4.688,20 4.688,21 0.675,22 34.287,23 3.876,24 3.876,25 5.876,26 18.811,27 36.718,28 4.228,29 4.228,30 31.848,31 16.786,32 2.168,33 11.57,34 0.592,35 0.592,36 3.479,37 6.89,38 6.89,39 5.769,40 3.002,41 2.527,43 10.7,44 14.288,45 2.605,46 2.605,47 7.209,48 16.725,49 26.989,50 12.48,51 7.857,52 8.963,53 8.96,54 29.429,55 13.391,56 11.599,57 15.955,58 15.955,59 15.955,60 15.955,61 15.955,62 24.599,64 1.736,65 0.826,66 2.443,67 2.443,68 7.519,69 5.023,70 19.819,71 2.39,72 2.39,73 5.188,74 2.736,75 0.978,76 7.224,77 8.954,78 7.178,79 22.146,81 0.105,82 3.395,83 10.377,84 4,85 3.927,86 4.174,87 11.233,88 0.628,89 4.612,90 1.199,91 13031,92 4.269,93 0.345,94 7.716,95 5.781,96 0.229,97 15.388,98 1.613,99 6.382,100 2.764,101 1.865,102 1.865,104 6.308,105 3.417,106 3.97,107 9.205,108 9.205,109 4.489,110 6,111 4.571,112 0.314,113 4.356,116 406,117 6.158,118 3,119 11.712,120 3.314,121 1.866,122 1.695,123 0.485,124 9,125 3.073,126 1.171,127 0.163,128 4.039,129 4.723,130 4.222,131 47.944,132 1.49,133 1.845,134 3.063,135 9.802,136 0.618,137 2,138 181.453,139 3.493,140 3.886,141 5.38,142 3.237,143 2.563,144 2.563,146 1.415,147 5.101,148 12.797,149 12.797,150 12.797,151 12.797,152 12.797,153 68,154 1.576,155 3,156 2.476,157 2.476,158 9.26,159 1.188,160 2.872,161 5.056,162 29.223,163 20.761,164 72.822,165 3.49,166 0.845,167 7.514,168 14.148,169 3.246,170 3.246,171 3.246,172 28.87,173 3.778,174 5.246,175 -0.412,176 -0.412,177 0.724,178 0.683,179 0.683,180 0.86,181 1.642,182 9.085,183 6.761,184 4.769,185 1.163,186 2.805,190 2.701,191 5.244,192 5.244,193 18.054,194 8,195 1.214,196 14.75,197 1.553,198 3.287,199 4.804,200 104.042,201 1.851,202 1.272,203 10.616,204 2.865,205 -0.463,206 -0.463,207 0.376,208 6.206,209 2.118,210 2.06,211 6}
{0 CHEMBL2012110,1 6.719,2 4.875,3 4.942,4 12.512,5 10.734,6 11.565,7 11.565,8 11.565,9 9.317,10 10.237,11 11.155,12 12.584,13 5.49,14 12.076,16 23.08,17 7.604,18 0.072,19 4.312,20 4.312,21 0.742,22 34.338,23 3.876,24 3.876,25 5.876,26 18.9,27 36.77,28 4.248,29 4.248,30 31.899,32 2.185,33 12.114,34 -0.425,35 -0.425,36 3.232,37 6.896,38 6.896,39 5.979,40 2.864,41 2.527,43 10.69,44 14.288,45 2.581,46 2.581,47 7.209,48 15.236,49 27.037,50 12.476,51 7.853,52 8.963,53 8.943,54 29.479,55 13.391,56 11.599,57 14.541,58 14.541,59 14.541,60 14.541,61 14.541,62 24.645,64 1.678,65 0.81,66 2.443,67 2.443,68 7.519,69 4.573,70 19.858,71 2.289,72 2.289,73 5.216,74 2.901,75 0.979,76 7.2,77 8.41,78 7.178,79 22.189,81 0.113,82 3.312,83 9.799,84 4,85 3.839,86 4.174,87 9.833,88 0.347,89 4.414,90 1.18,91 12398,92 4.269,93 0.365,94 7.229,95 4.775,96 0.246,97 13.016,98 1.347,99 6.382,100 2.865,101 1.764,102 1.764,104 5.888,105 3.323,106 3.932,107 9.491,108 9.491,109 4.511,110 6,111 4.594,112 -0.18,113 3.937,116 338,117 6.158,118 2,119 10.258,120 3.06,121 2.094,122 1.489,123 0.309,124 8,125 2.973,126 0.687,127 0.177,128 4.012,129 4.696,130 4.218,131 44.983,132 1.082,133 1.973,134 2.953,135 9.802,136 0.347,137 2,138 157.621,139 3.308,140 3.803,141 5.512,142 3.032,143 2.838,144 2.838,145 1.949,146 1.244,147 5.186,148 11.814,149 11.814,150 11.814,151 11.814,152 11.814,153 56,154 1.594,155 1,156 2.298,157 2.298,158 9.324,159 1.122,160 2.864,161 4.556,162 29.25,163 22.285,164 43.336,165 3.203,166 0.43,167 7.485,168 14.968,169 3.263,170 3.263,171 3.263,172 25.671,173 3.803,174 5.263,175 -1.614,176 -1.614,177 0.626,178 0.351,179 0.351,180 0.86,181 1.532,182 9.375,183 6.853,184 4.705,185 0.918,186 2.724,188 2,190 2.532,191 5.095,192 5.095,193 19.326,194 7.238,195 1.154,196 13.75,197 1.557,198 3.284,199 4.905,200 92.239,201 1.857,202 1.285,203 9.338,204 2.924,205 -0.843,206 -0.843,207 -0.208,208 6.293,209 1.692,210 2.066,211 6}
{0 CHEMBL2012111,1 6.719,2 4.875,3 4.942,4 12.512,5 10.734,6 11.565,7 11.565,8 11.565,9 9.317,10 10.237,11 11.155,12 12.584,13 5.49,14 12.076,16 13.573,17 7.604,18 0.072,19 4.312,20 4.312,21 0.742,22 34.338,23 3.876,24 3.876,25 5.876,26 18.9,27 36.77,28 4.23,29 4.23,30 31.899,32 2.185,33 12.114,34 -0.425,35 -0.425,36 3.232,37 6.896,38 6.896,39 5.979,40 2.864,41 2.527,43 10.69,44 14.288,45 2.581,46 2.581,47 7.209,48 15.44,49 27.037,50 12.476,51 7.853,52 8.963,53 8.943,54 29.479,55 13.391,56 11.599,57 14.541,58 14.541,59 14.541,60 14.541,61 14.541,62 24.645,64 1.672,65 0.81,66 2.443,67 2.443,68 7.519,69 4.573,70 19.858,71 2.289,72 2.289,73 5.157,74 2.77,75 0.99,76 7.2,77 8.41,78 7.178,79 22.189,81 0.113,82 3.392,83 9.46,84 4,85 3.849,86 4.174,87 10.333,88 0.316,89 4.414,90 1.181,91 12398,92 4.269,93 0.365,94 7.229,95 6.023,96 0.246,97 13.016,98 1.272,99 6.382,100 2.865,101 1.764,102 1.764,104 5.888,105 3.357,106 3.932,107 9.491,108 9.491,109 4.511,110 6,111 4.594,112 -0.18,113 3.937,116 338,117 6.158,118 2,119 10.667,120 3.06,121 2.094,122 1.489,123 0.304,124 8,125 2.991,126 0.687,127 0.176,128 4.012,129 4.696,130 4.166,131 44.983,132 1.082,133 1.96,134 2.959,135 9.802,136 0.347,137 2,138 176.354,139 3.308,140 3.803,141 5.512,142 3.032,143 2.838,144 2.838,145 2.551,146 1.235,147 5.186,148 11.814,149 11.814,150 11.814,151 11.814,152 11.814,153 56,154 1.583,155 1,156 2.298,157 2.298,158 9.324,159 1.09,160 2.865,161 4.556,162 29.25,163 22.285,164 43.336,165 3.203,166 0.411,167 7.485,168 14.968,169 3.263,170 3.263,171 3.263,172 26.864,173 3.805,174 5.263,175 -1.614,176 -1.614,177 0.622,178 0.351,179 0.351,180 0.86,181 1.494,182 9.375,183 6.853,184 4.705,185 0.945,186 2.722,188 2,190 2.504,191 5.095,192 5.095,193 19.326,194 7.238,195 1.15,196 13.25,197 1.557,198 3.284,199 4.905,200 92.239,201 1.857,202 1.285,203 9.98,204 2.924,205 -0.843,206 -0.843,207 -0.208,208 6.158,209 1.692,210 2.066,211 8}
{0 CHEMBL2012112,1 6.719,2 4.875,3 4.942,4 12.512,5 10.734,6 11.565,7 11.565,8 11.565,9 9.317,10 10.237,11 11.155,12 12.584,13 5.49,14 12.076,16 13.573,17 7.604,18 0.072,19 4.312,20 4.312,21 0.742,22 34.338,23 3.876,24 3.876,25 5.876,26 18.9,27 36.77,28 4.23,29 4.23,30 31.899,32 2.185,33 12.114,34 -0.425,35 -0.425,36 3.232,37 6.896,38 6.896,39 5.979,40 2.864,41 2.527,43 10.69,44 14.288,45 2.581,46 2.581,47 7.209,48 15.44,49 27.037,50 12.476,51 7.853,52 8.963,53 8.943,54 29.479,55 13.391,56 11.599,57 14.541,58 14.541,59 14.541,60 14.541,61 14.541,62 24.645,64 1.672,65 0.81,66 2.443,67 2.443,68 7.519,69 4.573,70 19.858,71 2.289,72 2.289,73 5.157,74 2.77,75 0.99,76 7.2,77 8.41,78 7.178,79 22.189,81 0.113,82 3.392,83 9.46,84 4,85 3.849,86 4.174,87 10.333,88 0.316,89 4.414,90 1.181,91 12398,92 4.269,93 0.365,94 7.229,95 6.023,96 0.246,97 13.016,98 1.272,99 6.382,100 2.865,101 1.764,102 1.764,104 5.888,105 3.357,106 3.932,107 9.491,108 9.491,109 4.511,110 6,111 4.594,112 -0.18,113 3.937,116 338,117 6.158,118 2,119 10.667,120 3.06,121 2.094,122 1.489,123 0.304,124 8,125 2.991,126 0.687,127 0.176,128 4.012,129 4.696,130 4.166,131 44.983,132 1.082,133 1.96,134 2.959,135 9.802,136 0.347,137 2,138 176.354,139 3.308,140 3.803,141 5.512,142 3.032,143 2.838,144 2.838,145 2.551,146 1.235,147 5.186,148 11.814,149 11.814,150 11.814,151 11.814,152 11.814,153 56,154 1.583,155 1,156 2.298,157 2.298,158 9.324,159 1.09,160 2.865,161 4.556,162 29.25,163 22.285,164 43.336,165 3.203,166 0.411,167 7.485,168 14.968,169 3.263,170 3.263,171 3.263,172 26.864,173 3.805,174 5.263,175 -1.614,176 -1.614,177 0.622,178 0.351,179 0.351,180 0.86,181 1.494,182 9.375,183 6.853,184 4.705,185 0.945,186 2.722,188 2,190 2.504,191 5.095,192 5.095,193 19.326,194 7.238,195 1.15,196 13.25,197 1.557,198 3.284,199 4.905,200 92.239,201 1.857,202 1.285,203 9.98,204 2.924,205 -0.843,206 -0.843,207 -0.208,208 6.158,209 1.692,210 2.066,211 7.102}
{0 CHEMBL2012113,1 6.719,2 4.875,3 4.942,4 12.512,5 10.734,6 11.565,7 11.565,8 11.565,9 9.317,10 10.237,11 11.155,12 12.584,13 5.49,14 12.076,15 1,16 30.358,17 7.604,18 0.072,19 4.312,20 4.312,21 0.742,22 34.338,23 3.876,24 3.876,25 5.876,26 18.9,27 36.77,28 4.241,29 4.241,30 31.899,31 16.786,32 2.185,33 12.114,34 -0.425,35 -0.425,36 3.32,37 6.896,38 6.896,39 5.979,40 2.864,41 2.527,43 10.69,44 14.288,45 2.581,46 2.581,47 7.209,48 15.334,49 27.037,50 12.476,51 7.853,52 8.963,53 8.943,54 29.479,55 13.391,56 11.599,57 14.541,58 14.541,59 14.541,60 14.541,61 14.541,62 24.645,64 1.676,65 0.81,66 2.443,67 2.443,68 7.519,69 4.573,70 19.858,71 2.289,72 2.289,73 5.191,74 2.859,75 0.993,76 7.2,77 8.41,78 7.178,79 22.189,81 0.113,82 3.325,83 9.856,84 4,85 3.84,86 4.174,87 9.9,88 0.338,89 4.414,90 1.182,91 12398,92 4.269,93 0.365,94 7.319,95 4.915,96 0.246,97 13.016,98 1.321,99 6.382,100 2.865,101 1.764,102 1.764,104 5.977,105 3.333,106 3.932,107 9.491,108 9.491,109 4.511,110 6,111 4.594,112 -0.18,113 3.937,116 338,117 6.158,118 2,119 10.258,120 3.069,121 2.094,122 1.489,123 0.309,124 8,125 2.979,126 0.687,127 0.177,128 4.012,129 4.696,130 4.2,131 44.983,132 1.082,133 1.986,134 2.959,135 9.802,136 0.347,137 2,138 155.301,139 3.308,140 3.803,141 5.512,142 3.032,143 2.838,144 2.838,145 2.31,146 1.243,147 5.186,148 11.814,149 11.814,150 11.814,151 11.814,152 11.814,153 56,154 1.624,155 1,156 2.298,157 2.298,158 9.324,159 1.145,160 2.864,161 4.556,162 29.25,163 22.285,164 43.336,165 3.221,166 0.424,167 7.485,168 14.968,169 3.263,170 3.263,171 3.263,172 26.222,173 3.804,174 5.263,175 -1.614,176 -1.614,177 0.625,178 0.351,179 0.351,180 0.86,181 1.508,182 9.375,183 6.853,184 4.705,185 0.964,186 2.723,188 2,189 16.786,190 2.516,191 5.095,192 5.095,193 19.326,194 7.238,195 1.214,196 13.75,197 1.557,198 3.284,199 4.905,200 92.239,201 1.857,202 1.285,203 9.338,204 2.924,205 -0.843,206 -0.843,207 -0.208,208 6.246,209 1.692,210 2.066,211 6}
{0 CHEMBL2012114,1 6.719,2 4.875,3 4.942,4 12.512,5 10.734,6 11.565,7 11.565,8 11.565,9 9.317,10 10.237,11 11.155,12 12.584,13 5.49,14 12.076,15 1,16 30.358,17 7.604,18 0.072,19 4.312,20 4.312,21 0.742,22 34.338,23 3.876,24 3.876,25 5.876,26 18.9,27 36.77,28 4.241,29 4.241,30 31.899,31 16.786,32 2.185,33 12.114,34 -0.425,35 -0.425,36 3.32,37 6.896,38 6.896,39 5.979,40 2.864,41 2.527,43 10.69,44 14.288,45 2.581,46 2.581,47 7.209,48 15.334,49 27.037,50 12.476,51 7.853,52 8.963,53 8.943,54 29.479,55 13.391,56 11.599,57 14.541,58 14.541,59 14.541,60 14.541,61 14.541,62 24.645,64 1.676,65 0.81,66 2.443,67 2.443,68 7.519,69 4.573,70 19.858,71 2.289,72 2.289,73 5.191,74 2.859,75 0.993,76 7.2,77 8.41,78 7.178,79 22.189,81 0.113,82 3.325,83 9.856,84 4,85 3.84,86 4.174,87 9.9,88 0.338,89 4.414,90 1.182,91 12398,92 4.269,93 0.365,94 7.319,95 4.915,96 0.246,97 13.016,98 1.321,99 6.382,100 2.865,101 1.764,102 1.764,104 5.977,105 3.333,106 3.932,107 9.491,108 9.491,109 4.511,110 6,111 4.594,112 -0.18,113 3.937,116 338,117 6.158,118 2,119 10.258,120 3.069,121 2.094,122 1.489,123 0.309,124 8,125 2.979,126 0.687,127 0.177,128 4.012,129 4.696,130 4.2,131 44.983,132 1.082,133 1.986,134 2.959,135 9.802,136 0.347,137 2,138 155.301,139 3.308,140 3.803,141 5.512,142 3.032,143 2.838,144 2.838,145 2.31,146 1.243,147 5.186,148 11.814,149 11.814,150 11.814,151 11.814,152 11.814,153 56,154 1.624,155 1,156 2.298,157 2.298,158 9.324,159 1.145,160 2.864,161 4.556,162 29.25,163 22.285,164 43.336,165 3.221,166 0.424,167 7.485,168 14.968,169 3.263,170 3.263,171 3.263,172 26.222,173 3.804,174 5.263,175 -1.614,176 -1.614,177 0.625,178 0.351,179 0.351,180 0.86,181 1.508,182 9.375,183 6.853,184 4.705,185 0.964,186 2.723,188 2,189 16.786,190 2.516,191 5.095,192 5.095,193 19.326,194 7.238,195 1.214,196 13.75,197 1.557,198 3.284,199 4.905,200 92.239,201 1.857,202 1.285,203 9.338,204 2.924,205 -0.843,206 -0.843,207 -0.208,208 6.246,209 1.692,210 2.066,211 6.255}
{0 CHEMBL2012115,1 6.719,2 4.875,3 4.942,4 12.512,5 10.734,6 11.565,7 11.565,8 11.565,9 9.317,10 10.237,11 11.155,12 12.584,13 5.49,14 12.076,15 1,16 30.358,17 7.604,18 0.072,19 4.312,20 4.312,21 0.742,22 34.338,23 3.876,24 3.876,25 5.876,26 18.9,27 36.77,28 4.241,29 4.241,30 31.899,31 16.786,32 2.185,33 12.114,34 -0.425,35 -0.425,36 3.32,37 6.896,38 6.896,39 5.979,40 2.864,41 2.527,43 10.69,44 14.288,45 2.581,46 2.581,47 7.209,48 15.334,49 27.037,50 12.476,51 7.853,52 8.963,53 8.943,54 29.479,55 13.391,56 11.599,57 14.541,58 14.541,59 14.541,60 14.541,61 14.541,62 24.645,64 1.676,65 0.81,66 2.443,67 2.443,68 7.519,69 4.573,70 19.858,71 2.289,72 2.289,73 5.191,74 2.859,75 0.993,76 7.2,77 8.41,78 7.178,79 22.189,81 0.113,82 3.325,83 9.856,84 4,85 3.84,86 4.174,87 9.9,88 0.338,89 4.414,90 1.182,91 12398,92 4.269,93 0.365,94 7.319,95 4.915,96 0.246,97 13.016,98 1.321,99 6.382,100 2.865,101 1.764,102 1.764,104 5.977,105 3.333,106 3.932,107 9.491,108 9.491,109 4.511,110 6,111 4.594,112 -0.18,113 3.937,116 338,117 6.158,118 2,119 10.258,120 3.069,121 2.094,122 1.489,123 0.309,124 8,125 2.979,126 0.687,127 0.177,128 4.012,129 4.696,130 4.2,131 44.983,132 1.082,133 1.986,134 2.959,135 9.802,136 0.347,137 2,138 155.301,139 3.308,140 3.803,141 5.512,142 3.032,143 2.838,144 2.838,145 2.31,146 1.243,147 5.186,148 11.814,149 11.814,150 11.814,151 11.814,152 11.814,153 56,154 1.624,155 1,156 2.298,157 2.298,158 9.324,159 1.145,160 2.864,161 4.556,162 29.25,163 22.285,164 43.336,165 3.221,166 0.424,167 7.485,168 14.968,169 3.263,170 3.263,171 3.263,172 26.222,173 3.804,174 5.263,175 -1.614,176 -1.614,177 0.625,178 0.351,179 0.351,180 0.86,181 1.508,182 9.375,183 6.853,184 4.705,185 0.964,186 2.723,188 2,189 16.786,190 2.516,191 5.095,192 5.095,193 19.326,194 7.238,195 1.214,196 13.75,197 1.557,198 3.284,199 4.905,200 92.239,201 1.857,202 1.285,203 9.338,204 2.924,205 -0.843,206 -0.843,207 -0.208,208 6.246,209 1.692,210 2.066,211 6}
{0 CHEMBL2012116,1 6.697,2 4.868,3 4.92,4 12.512,5 10.734,6 11.54,7 11.54,8 11.54,9 9.325,10 10.235,11 11.142,12 12.569,13 5.49,14 12.054,16 14.185,17 7.604,18 0.165,19 4.656,20 4.656,21 0.639,22 34.294,23 3.876,24 3.876,25 5.876,26 18.823,27 36.725,28 4.22,29 4.22,30 31.855,32 2.168,33 11.595,34 0.565,35 0.565,36 3.19,37 6.891,38 6.891,39 5.759,40 3.07,41 2.527,43 10.7,44 14.288,45 2.601,46 2.601,47 7.209,48 16.854,49 26.996,50 12.48,51 7.861,52 8.963,53 8.96,54 29.436,55 13.391,56 11.599,57 15.955,58 15.955,59 15.955,60 15.955,61 15.955,62 24.605,64 1.79,65 0.826,66 2.443,67 2.443,68 7.519,69 5.238,70 19.825,71 2.385,72 2.385,73 5.15,74 2.733,75 0.981,76 7.224,77 8.963,78 7.178,79 22.152,81 0.108,82 3.396,83 10.46,84 5,85 3.845,86 4.174,87 11.333,88 0.629,89 4.62,90 1.259,91 14004,92 4.269,93 0.336,94 7.876,95 6.281,96 0.221,97 17.089,98 1.616,99 6.382,100 2.738,101 1.859,102 1.859,104 6.442,105 3.441,106 3.97,107 9.25,108 9.25,109 4.5,110 9,111 4.571,112 0.299,113 4.38,116 442,117 6.158,118 3,119 11.667,120 3.357,121 1.859,122 1.688,123 0.557,124 10,125 3.046,126 1.255,127 0.162,128 4.039,129 4.723,130 4.226,131 48.104,132 1.487,133 1.968,134 3.03,135 9.802,136 0.681,137 1,138 184.354,139 3.524,140 3.887,141 5.399,142 3.21,143 2.453,144 2.453,146 1.529,147 5.101,148 12.797,149 12.797,150 12.797,151 12.797,152 12.797,153 71,154 1.587,155 3,156 2.428,157 2.428,158 9.359,159 1.181,160 2.869,161 5.056,162 29.227,163 20.85,164 43.336,165 3.494,166 0.837,167 7.515,168 14.188,169 3.251,170 3.251,171 3.251,172 29.625,173 3.812,174 5.251,175 -0.432,176 -0.432,177 0.905,178 0.691,179 0.691,180 0.86,181 1.656,182 9.096,183 6.761,184 4.769,185 1.174,186 2.828,190 2.705,191 5.259,192 5.259,193 18.123,194 8.696,195 1.214,196 14.25,197 1.557,198 3.282,199 4.828,200 100.042,201 1.804,202 1.277,203 10.675,204 2.865,205 -0.565,206 -0.565,207 0.363,208 6.158,209 2.152,210 2.06,211 7.108}
{0 CHEMBL2012117,1 6.697,2 4.868,3 4.92,4 12.512,5 10.734,6 11.54,7 11.54,8 11.54,9 9.325,10 10.235,11 11.142,12 12.569,13 5.49,14 12.054,16 23.693,17 7.604,18 0.165,19 4.656,20 4.656,21 0.639,22 34.294,23 3.876,24 3.876,25 5.876,26 18.823,27 36.725,28 4.235,29 4.235,30 31.855,32 2.168,33 11.595,34 0.565,35 0.565,36 3.19,37 6.891,38 6.891,39 5.759,40 3.07,41 2.527,43 10.7,44 14.288,45 2.601,46 2.601,47 7.209,48 16.65,49 26.996,50 12.48,51 7.861,52 8.963,53 8.96,54 29.436,55 13.391,56 11.599,57 15.955,58 15.955,59 15.955,60 15.955,61 15.955,62 24.605,64 1.841,65 0.826,66 2.443,67 2.443,68 7.519,69 5.238,70 19.825,71 2.385,72 2.385,73 5.199,74 2.87,75 0.971,76 7.224,77 8.963,78 7.178,79 22.152,81 0.108,82 3.394,83 10.799,84 5,85 3.831,86 4.174,87 10.833,88 0.676,89 4.62,90 1.22,91 14004,92 4.269,93 0.336,94 7.876,95 5.015,96 0.221,97 17.089,98 1.675,99 6.382,100 2.738,101 1.859,102 1.859,104 6.442,105 3.41,106 3.97,107 9.25,108 9.25,109 4.5,110 9,111 4.571,112 0.302,113 4.38,116 442,117 6.158,118 3,119 11.258,120 3.357,121 1.859,122 1.688,123 0.608,124 10,125 3.044,126 1.255,127 0.163,128 4.039,129 4.723,130 4.275,131 48.104,132 1.487,133 1.971,134 3.029,135 9.802,136 0.681,137 1,138 165.621,139 3.524,140 3.887,141 5.399,142 3.21,143 2.453,144 2.453,146 1.592,147 5.101,148 12.797,149 12.797,150 12.797,151 12.797,152 12.797,153 71,154 1.592,155 3,156 2.428,157 2.428,158 9.359,159 1.181,160 2.869,161 5.056,162 29.227,163 20.85,164 43.336,165 3.494,166 0.839,167 7.515,168 14.188,169 3.251,170 3.251,171 3.251,172 28.432,173 3.812,174 5.251,175 -0.432,176 -0.432,177 0.942,178 0.691,179 0.691,180 0.86,181 1.663,182 9.096,183 6.761,184 4.769,185 1.159,186 2.85,190 2.708,191 5.259,192 5.259,193 18.123,194 8.696,195 1.214,196 14.75,197 1.557,198 3.282,199 4.828,200 98.042,201 1.804,202 1.277,203 10.033,204 2.865,205 -0.565,206 -0.565,207 0.363,208 6.293,209 2.152,210 2.06,211 6.194}
{0 CHEMBL2012118,1 5.001,2 3.97,3 3.738,4 12.512,5 10.734,6 11.522,7 11.522,8 11.522,9 9.02,10 9.931,11 10.838,12 12.265,13 5.49,14 11.751,16 11,17 7.604,19 2.155,20 2.155,21 1.017,22 34.23,23 3.875,24 3.875,25 5.778,26 18.764,27 36.668,28 4.212,29 4.212,30 31.783,32 2.127,33 10.789,34 -2.928,35 -2.928,36 3.117,37 6.887,38 6.887,39 4.89,40 2.552,41 2.527,43 10.414,44 14.023,45 2.033,46 2.033,47 7.209,48 12.477,49 26.902,50 12.204,51 7.567,52 8.963,53 8.666,54 29.354,55 13.391,56 11.599,57 11.732,58 11.732,59 11.732,60 11.732,61 11.732,62 24.494,64 1.551,65 0.765,66 2.443,67 2.443,68 7.252,69 3.79,70 19.673,71 1.798,72 1.798,73 5.112,74 2.353,75 0.946,76 6.844,77 6.532,78 7.178,79 22.026,81 0.105,82 3.016,83 7.46,85 3.827,86 4.174,87 8.333,88 -0.183,89 3.446,90 1.174,91 3658,92 4.269,93 0.461,94 5.842,95 4.877,96 0.32,97 8.443,98 0.836,99 6.111,100 2.118,101 1.654,102 1.654,104 4.755,105 3.143,106 3.664,107 8.059,108 8.059,109 4.143,110 2,111 4.067,112 -1.235,113 3.172,116 210,117 6.158,118 2,119 8.746,120 1.503,121 1.166,122 0.466,123 -0.58,124 4,125 2.868,126 0.358,127 0.222,128 3.618,129 4.297,130 3.893,131 32.882,132 -0.043,133 1.804,134 2.853,135 9.802,136 -0.4,138 138.343,139 2.9,140 3.581,141 5.335,142 2.864,143 1.372,144 1.372,146 0.34,147 4.512,148 9.326,149 9.326,150 9.326,151 9.326,152 9.326,153 38,154 1.552,155 1,156 1.856,157 1.856,158 7.188,159 0.633,160 2.434,161 3.778,162 29.063,163 19.534,164 43.336,165 1.938,166 -0.416,167 7.206,168 13.244,169 3.24,170 3.24,171 3.24,172 22.102,173 3.683,174 5.24,175 -3.167,176 -3.167,177 0.295,178 -0.184,179 -0.184,180 0.86,181 0.862,182 8.423,183 6.216,184 4.422,185 0.833,186 2.603,190 1.872,191 4.243,192 4.243,193 16.978,194 5.706,195 1.006,196 10.75,197 1.414,198 3,199 4.19,200 69.487,201 0.927,202 1.132,203 7.929,204 2.242,205 -1.506,206 -1.506,207 -1.463,208 5.898,209 1.067,210 2,211 6}
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{0 CHEMBL621,1 5.746,2 4.489,3 4.564,4 7.514,5 6.458,6 10.729,7 10.729,8 10.729,9 9.257,10 10.132,11 11.003,12 12.419,13 3.44,14 11.88,15 5,16 29.169,17 30.342,18 0.167,19 5.071,20 5.071,21 0.411,22 33.333,23 3.87,24 3.87,25 5.87,26 17.714,27 35.685,28 4.105,29 4.105,30 30.971,31 29.038,32 2.148,33 11.429,34 1.748,35 1.748,36 3.386,37 6.681,38 6.681,39 5.479,40 3.549,41 2.206,42 6,43 10.643,44 14.161,45 2.68,46 2.68,47 4.397,48 18.748,49 26.268,50 12.388,51 7.826,52 5.414,53 8.938,54 28.633,55 8.02,56 6.94,57 17.861,58 17.861,59 17.861,60 17.861,61 17.861,62 23.959,63 2,64 1.891,65 0.808,66 1.708,67 1.708,68 7.387,69 7.285,70 19.336,71 2.234,72 2.234,73 4.969,74 2.714,75 0.995,76 7.292,77 9.715,78 8.53,79 21.577,81 0.099,82 3.437,83 11.879,84 4,85 3.9,86 2.984,87 12.548,88 1.012,89 4.816,90 1.127,91 20214,92 2.542,93 0.261,94 8.699,95 5.113,96 0.16,97 25.077,98 2.016,99 6.312,100 2.819,101 2.167,102 2.167,104 7.134,105 3.474,106 3.989,107 9.159,108 9.159,109 4.419,110 2,111 4.567,112 0.732,113 5.05,116 690,117 3.646,118 3,119 12.992,120 3.428,121 2.223,122 2.053,123 0.965,124 6,125 3.055,126 1.514,127 0.142,128 4.086,129 4.771,130 4.271,131 51.989,132 2,133 1.921,134 3.087,135 5.853,136 1.059,137 2,138 188.183,139 4,140 4.005,141 5.398,142 3.367,143 3.055,144 3.055,146 1.967,147 5.031,148 14.326,149 14.326,150 14.326,151 14.326,152 14.326,153 117,154 1.777,155 2,156 2.451,157 2.451,158 9.58,159 1.131,160 2.941,161 5.694,162 28.836,163 20.332,164 27.473,165 3.532,166 1.046,167 7.516,168 13.939,169 3.163,170 3.163,171 3.163,172 32.194,173 3.778,174 5.163,175 0.211,176 0.211,177 1.131,178 1.039,179 1.039,180 0.8,181 1.665,182 9.007,183 6.744,184 4.864,185 1.064,186 3.063,187 2,190 2.701,191 6.015,192 6.015,193 17.706,194 12,195 1.22,196 18,197 1.68,198 3.545,199 4.522,200 118.211,201 1.863,202 1.28,203 11.715,204 3.158,205 -0.326,206 -0.326,207 0.95,208 5.925,209 2.464,210 2.053,211 6.854}
{0 CHEMBL623,1 5.785,2 4.71,3 4.812,4 7.724,5 6.649,6 10.71,7 10.71,8 10.71,9 9.376,10 10.238,11 11.095,12 12.508,13 3.655,14 11.959,15 5,16 45.412,17 30.527,18 0.294,19 6.015,20 6.015,21 0.367,22 33.312,23 3.887,24 3.887,25 5.887,26 17.676,27 35.661,28 4.095,29 4.095,30 30.953,31 29.038,32 2.097,33 11.603,34 2.275,35 2.275,36 3.242,37 6.678,38 6.678,39 5.348,40 3.881,41 2.512,42 8,43 10.757,44 14.247,45 2.794,46 2.794,47 4.583,48 23.92,49 26.258,50 12.487,51 7.943,52 5.595,53 9.068,54 28.618,55 8.245,56 7.147,57 22.714,58 22.714,59 22.714,60 22.714,61 22.714,62 23.955,63 3,64 2.043,65 0.697,66 1.733,67 1.733,68 7.483,69 9.021,70 19.347,71 2.491,72 2.491,73 4.959,74 2.714,75 0.966,76 7.439,77 11.751,78 11.726,79 21.579,81 0.095,82 3.69,83 15.175,84 9,85 3.867,86 3.009,87 15.881,88 1.188,89 5.026,90 1.491,91 30819,92 2.816,93 0.237,94 11.306,95 6.267,96 0.144,97 44.964,98 2.215,99 6.415,100 3.02,101 2.209,102 2.209,104 9.314,105 3.722,106 4.143,107 9.159,108 9.159,109 4.511,110 1,111 4.727,112 1,113 6.417,116 1103,117 3.874,118 4,119 16.424,120 3.965,121 2.441,122 2.5,123 1.083,124 12,125 3.338,126 1.847,127 0.114,128 4.277,129 4.963,130 4.45,131 63.338,132 2.379,133 1.987,134 3.325,135 6.05,136 1.173,137 3,138 223.561,139 4.638,140 4.229,141 5.363,142 3.394,143 3.863,144 3.863,146 2.092,147 5.152,148 17.72,149 17.72,150 17.72,151 17.72,152 17.72,153 179,154 1.848,155 3,156 2.493,157 2.493,158 9.883,159 1.352,160 3.237,161 7.444,162 28.854,163 20.342,164 27.473,165 4.061,166 1.967,167 7.664,168 14.082,169 3.155,170 3.155,171 3.155,172 42.455,173 3.811,174 5.155,175 2.214,176 2.214,177 1.336,178 1.239,179 1.239,180 1.283,181 1.887,182 9.198,183 6.939,184 5.037,185 1.355,186 3.128,187 2,190 3.051,191 6.784,192 6.784,193 17.748,194 15.455,195 1.513,196 22,197 1.68,198 3.751,199 4.615,200 156.465,201 2.126,202 1.269,203 14.274,204 3.349,205 0.956,206 0.956,207 1.335,208 6.031,209 2.528,210 2,211 6.619}
{0 CHEMBL629,1 6.951,2 4.635,3 4.615,4 0.043,5 0.066,6 11.218,7 11.218,8 11.218,9 9.04,10 9.929,11 10.817,12 12.238,13 0.239,14 11.709,15 1,16 19.052,17 9.709,18 0.17,19 3.393,20 3.393,21 0.826,22 33.877,23 3.274,24 3.274,25 5.274,26 18.569,27 36.283,28 4.188,29 4.188,30 31.461,31 3.124,32 2.102,33 11.88,34 -0.755,35 -0.755,36 2.81,37 6.798,38 6.798,39 5.896,40 2.871,41 0.673,42 1,43 10.416,44 13.996,45 2.214,46 2.214,47 0.156,48 15.624,49 26.644,50 12.189,51 7.571,52 0.102,53 8.691,54 29.066,55 0.035,56 0.054,57 14.397,58 14.397,59 14.397,60 14.397,61 14.397,62 24.274,64 1.556,65 0.714,66 0.8,67 0.8,68 7.222,69 4.72,70 19.52,71 2.114,72 2.114,73 5.188,74 2.639,75 0.993,76 7.111,77 7.263,78 1.6,79 21.834,81 0.106,82 3.249,83 10.133,84 8,85 3.728,86 1.2,87 10.4,88 0.461,89 3.917,90 1.304,91 9194,92 0.268,93 0.41,94 7.424,95 4.204,96 0.276,97 14.571,98 1.457,99 6.043,100 2.736,101 1.557,102 1.557,104 6.235,105 3.379,106 3.738,107 8.722,108 8.722,109 4.29,110 9,111 4.57,112 -0.317,113 4.162,114 1,115 1,116 331,117 0.188,118 1,119 10.254,120 3.351,121 2.03,122 1.102,123 -0.184,124 12,125 3.214,126 0.908,127 0.182,128 3.989,129 4.673,130 4.122,131 43.803,132 0.901,133 2.01,134 3.201,135 0.082,136 -0.067,137 4,138 127.832,139 3.273,140 3.79,141 5.366,142 2.974,143 2.756,144 2.756,146 0.816,147 5.146,148 11.386,149 11.386,150 11.386,151 11.386,152 11.386,153 56,154 1.569,155 4,156 2.157,157 2.157,158 9.759,159 1.16,160 2.856,161 4.694,162 28.94,163 21.519,165 3.564,166 0.162,167 7.274,168 14.591,169 3.188,170 3.188,171 3.188,172 29.381,173 3.74,174 5.188,175 -2,176 -2,177 0.74,178 0.465,179 0.465,181 1.414,182 9.26,183 6.811,184 4.644,185 0.963,186 2.556,190 2.414,191 3.625,192 3.625,193 18.694,194 7.381,195 1.304,196 12.25,197 1.588,198 3.159,199 4.615,200 72.239,201 1.839,202 1.401,203 8.983,204 2.867,205 -0.873,206 -0.873,207 -0.355,208 6.005,209 1.711,210 2,211 8.78}
{0 CHEMBL6310,1 6.491,2 4.043,3 3.892,4 0.221,5 0.293,6 11.099,7 11.099,8 11.099,9 8.892,10 9.801,11 10.707,12 12.133,13 0.678,14 11.617,15 2,16 38.787,17 6.746,18 0.031,19 2.726,20 2.726,21 0.978,22 33.703,23 3.344,24 3.344,25 5.344,26 18.142,27 36.105,28 4.191,29 4.191,30 31.293,31 34.796,32 2.186,33 12.346,34 -3.515,35 -3.515,36 3.477,37 6.756,38 6.756,39 6.042,40 2.681,41 1.207,42 2,43 10.25,44 13.83,45 2.468,46 2.468,47 0.512,48 10.95,49 26.482,50 12.026,51 7.431,52 0.387,53 8.515,54 28.899,57 10.525,58 10.525,59 10.525,60 10.525,61 10.525,62 24.108,63 1,64 1.292,65 0.867,66 0.86,67 0.86,68 7.066,69 3.707,70 19.352,71 1.762,72 1.762,73 5.15,74 2.397,75 1.041,76 6.903,77 5.85,78 3.035,79 21.673,81 0.114,82 2.988,83 7.089,84 3,85 3.557,86 1.72,87 7.133,88 -0.679,89 3.599,90 0.885,91 3979,93 0.466,94 5.045,95 3.055,96 0.32,97 7.547,98 0.266,99 5.916,100 1.706,101 1.366,102 1.366,104 4.173,105 2.997,106 3.555,107 7.561,108 7.561,109 4.111,111 4.473,112 -1.156,113 2.866,116 205,118 1,119 7.381,120 1.796,121 1.33,122 0.246,123 -0.878,124 8,125 2.765,126 -0.709,127 0.247,128 3.79,129 4.472,130 3.818,131 33.471,132 0.117,133 1.96,134 2.751,136 -1.032,137 3,138 105.516,139 2.782,140 3.476,141 5.585,142 2.494,143 0.529,144 0.529,145 2.523,146 0.04,147 5.143,148 8.353,149 8.353,150 8.353,151 8.353,152 8.353,153 35,154 1.424,155 3,156 1.493,157 1.493,158 8.499,159 0.709,160 2.712,161 3.333,162 28.748,163 22.874,165 1.96,166 -0.685,167 7.084,168 15.315,169 3.209,170 3.209,171 3.209,172 19.034,173 3.515,174 5.209,175 -4.12,176 -4.12,177 -0.549,178 -0.703,179 -0.703,180 0.657,181 1.076,182 9.475,183 6.797,184 4.363,185 0.793,186 2.313,188 2,189 34.796,190 2.083,191 3.044,192 3.044,193 19.829,194 6.2,195 0.955,196 10,197 1.177,198 2.281,199 4.344,200 58.603,201 0.598,202 1.333,203 6.455,204 2.356,205 -1.87,206 -1.87,207 -1.571,208 5.79,209 0.655,210 2.093,211 5}
{0 CHEMBL633,1 7.44,2 4.949,3 5.011,4 0.252,5 0.334,6 11.826,7 11.826,8 11.826,9 9.461,10 10.364,11 11.265,12 12.691,13 0.732,14 12.172,15 1,16 41.138,17 18.513,18 0.383,19 5.327,20 5.327,21 0.591,22 34.671,23 3.673,24 3.673,25 5.673,26 19.266,27 37.123,28 4.301,29 4.301,30 32.213,31 3.124,32 1.993,33 12.729,34 1.26,35 1.26,36 3.364,37 6.974,38 6.974,39 6.476,40 3.522,41 1.235,42 4,43 10.903,44 14.506,45 2.878,46 2.878,47 0.57,48 22.579,49 27.315,50 12.691,51 8.048,52 0.438,53 9.156,54 29.775,55 0.035,56 0.054,57 21.077,58 21.077,59 21.077,60 21.077,61 21.077,62 24.905,63 3,64 2.148,65 0.484,66 0.86,67 0.86,68 7.719,69 7.229,70 20.087,71 2.435,72 2.435,73 5.314,74 2.753,75 0.977,76 7.512,77 11.007,78 3.32,79 22.433,81 0.099,82 3.744,83 13.231,84 6,85 10.692,86 1.72,87 17.186,88 1.135,89 4.917,90 1.411,91 18978,92 0.268,93 0.339,94 10.451,95 7.064,96 0.216,97 36.01,98 2.27,99 6.581,100 3.166,101 2.178,102 2.178,104 8.711,105 3.705,106 4.127,107 9.876,108 9.876,109 4.595,110 15,111 4.986,112 0.6,113 5.71,116 792,117 0.188,118 2,119 16.726,120 4.193,121 2.462,122 2.322,123 1.041,124 14,125 3.536,126 1.744,127 0.13,128 4.353,129 5.04,130 4.394,131 61.632,132 1.948,133 1.964,134 3.308,135 0.082,136 1.034,137 6,138 318.334,139 4.09,140 4.151,141 5.608,142 3.439,143 3.498,144 3.498,145 1.667,146 2.072,147 5.606,148 16.098,149 16.098,150 16.098,151 16.098,152 16.098,153 132,154 1.865,155 6,156 2.481,157 2.481,158 10.736,159 1.327,160 3.367,161 7.194,162 29.511,163 23.13,164 30.278,165 4.591,166 1.463,167 7.673,168 15.65,169 3.297,170 3.297,171 3.297,172 44.108,173 3.872,174 5.297,175 0.791,176 0.791,177 1.225,178 1.289,179 1.289,180 0.8,181 1.734,182 9.911,183 7.295,184 4.99,185 1.256,186 3.174,187 1,188 2,190 2.744,191 6.64,192 6.64,193 20.108,194 12.29,195 1.626,196 18.5,197 1.682,198 3.722,199 4.942,200 143.58,201 2.433,202 1.423,203 14.971,204 3.232,205 0.327,206 0.327,207 0.651,208 6.35,209 2.431,210 1.842,211 5.775}
{0 CHEMBL636,1 4.66,2 3.045,3 2.639,4 11.116,5 9.549,6 9.308,7 9.308,8 9.308,9 8.563,10 9.404,11 10.234,12 11.642,13 4.96,14 11.076,15 2,16 22.553,17 5.23,18 0.144,19 2.534,20 2.534,21 1.149,22 31.388,23 3.773,24 3.773,25 5.773,26 15.845,27 33.586,28 3.914,29 3.914,30 29.159,31 6.249,32 1.817,33 10.98,34 -2.614,35 -2.614,36 2.877,37 6.301,38 6.301,39 4.854,40 3.024,41 2.458,42 1,43 10.156,44 13.648,45 2.112,46 2.112,47 6.459,48 12.697,49 24.739,50 11.892,51 7.286,52 7.994,53 8.45,54 26.982,55 11.862,56 10.263,57 11.491,58 11.491,59 11.491,60 11.491,61 11.491,62 22.602,63 1,64 1.248,65 0.333,66 2.208,67 2.208,68 6.862,69 4.878,70 18.264,71 1.787,72 1.787,73 4.853,74 2.515,75 0.881,76 6.798,77 5.939,78 8.163,79 20.324,80 -0.4,81 0.068,82 3.066,83 8.032,84 4,85 3.582,86 3.912,87 8.467,88 -0.763,89 3.494,90 1.092,91 1461,92 3.668,93 0.627,94 5.67,95 3.106,96 0.408,97 12.519,98 0.233,99 5.916,100 1.738,101 1.298,102 1.298,103 -0.4,104 4.879,105 3.113,106 3.367,107 8.126,108 8.126,109 3.497,110 2,111 3.994,112 -0.985,113 3.044,116 272,117 5.372,118 1,119 8.452,120 2.94,121 1.424,122 0.481,123 -0.9,124 6,125 2.953,126 -0.318,127 0.217,128 3.597,129 4.277,130 3.787,131 31.424,133 1.873,134 2.938,135 8.654,136 -0.661,137 2,138 104.31,139 2.879,140 3.581,141 5.061,142 2.658,143 0.239,144 0.239,146 -0.001,147 4.39,148 8.736,149 8.736,150 8.736,151 8.736,152 8.736,153 52,154 1.484,155 2,156 1.719,157 1.719,158 6.902,159 1.092,160 2.762,161 4.167,162 28.003,163 19.832,164 25.145,165 3.108,166 -0.365,167 6.897,168 13.479,169 2.948,170 2.948,171 2.948,172 24.534,173 3.458,174 4.948,175 -2.851,176 -2.851,177 -0.233,178 -0.766,179 -0.766,180 0.916,181 1.118,182 8.558,183 6.275,184 4.35,185 0.885,186 2.268,190 2.129,191 2.951,192 2.951,193 17.206,194 7.889,195 1.151,196 11.25,197 1.471,198 2,199 3.401,200 69.059,201 0.674,202 1.223,203 7.494,204 2.5,205 -1.407,206 -1.407,207 -1.338,208 5.639,209 0.627,210 1.636,211 6}
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{0 CHEMBL715,1 7.346,2 5.094,3 5.056,4 1.073,5 1.068,6 11.066,7 11.066,8 11.066,9 9.272,10 10.179,11 11.082,12 12.508,13 1.139,14 11.991,15 4,16 50.674,17 8.423,18 0.21,19 4.9,20 4.9,21 0.745,22 33.719,23 3.467,24 3.467,25 5.467,26 18.288,27 36.105,28 4.146,29 4.146,30 31.322,31 41.045,32 2.176,33 11.984,34 -0.521,35 -0.521,36 3.38,37 6.742,38 6.742,39 6.104,40 2.927,41 1.543,42 4,43 10.625,44 14.174,45 2.444,46 2.444,47 1.094,48 16.226,49 26.552,50 12.386,51 7.794,52 1.073,53 8.903,54 28.952,55 0.858,56 0.8,57 15.033,58 15.033,59 15.033,60 15.033,61 15.033,62 24.213,63 2,64 1.732,65 0.909,66 1.032,67 1.032,68 7.413,69 4.656,70 19.527,71 2.273,72 2.273,73 5.011,74 2.653,75 1.032,76 7.248,77 8.448,78 5.507,79 21.797,81 0.116,82 3.255,83 9.883,84 4,85 3.838,86 1.954,87 10.933,88 0.646,89 4.696,90 1.078,91 15168,92 0.612,93 0.364,94 7.343,95 5.244,96 0.246,97 14.463,98 1.632,99 6.312,100 2.861,101 1.885,102 1.885,104 6.082,105 3.373,106 3.912,107 8.92,108 8.92,109 4.522,110 4,111 4.65,112 -0.197,113 4.239,116 377,117 0.644,118 2,119 11.112,120 3.269,121 2.078,122 1.349,123 0.112,124 10,125 2.941,126 1.032,127 0.166,128 4.073,129 4.758,130 4.156,131 47.389,132 1.001,133 1.971,134 2.91,135 0.743,136 0.044,137 2,138 176.118,139 3.369,140 3.849,141 5.541,142 3.19,143 3.058,144 3.058,146 1.058,147 5.247,148 12.38,149 12.38,150 12.38,151 12.38,152 12.38,153 60,154 1.582,155 5,156 2.363,157 2.363,158 9.992,159 1.139,160 2.908,161 4.694,162 28.94,163 21.663,164 2.328,165 3.535,166 0.509,167 7.468,168 14.703,169 3.208,170 3.208,171 3.208,172 28.762,173 3.736,174 5.208,175 -1.145,176 -1.145,177 0.965,178 0.711,179 0.711,180 0.8,181 1.542,182 9.359,183 6.905,184 4.743,185 1.064,186 2.813,189 18.011,190 2.593,191 5.301,192 5.301,193 18.837,194 7.727,195 1.206,196 15,197 1.542,198 3.58,199 5.004,200 94.107,201 1.94,202 1.352,203 10.689,204 2.908,205 -0.735,206 -0.735,207 -0.244,208 5.967,209 2,210 2.063,211 4.824}
{0 CHEMBL716,1 7.37,2 5.187,3 5.257,4 15.838,5 13.675,6 10.973,7 10.973,8 10.973,9 9.3,10 10.189,11 11.08,12 12.5,13 7.187,14 11.973,15 3,16 32.078,17 19.713,18 0.183,19 3.641,20 3.641,21 0.531,22 33.604,23 4.592,24 4.592,25 6.592,26 18.154,27 35.981,28 4.115,29 4.115,30 31.216,31 23.034,32 2.165,33 11.869,34 1.848,35 1.848,36 3.193,37 6.721,38 6.721,39 6.119,40 3.399,41 3.146,42 8,43 10.616,44 14.153,45 2.508,46 2.508,47 9.348,48 19.735,49 26.464,50 12.369,51 7.787,52 11.511,53 8.909,54 28.854,55 0.858,56 0.8,57 18.991,58 18.991,59 18.991,60 18.991,61 18.991,62 24.134,63 3,64 1.599,65 0.778,66 2.95,67 2.95,68 7.38,69 6.512,70 19.467,71 2.334,72 2.334,73 4.984,74 2.594,75 0.971,76 7.277,77 9.728,78 12.327,79 21.728,81 0.107,82 3.451,83 12.398,84 8,85 3.742,86 5.9,87 13.2,88 0.985,89 4.203,90 1.248,91 27756,92 0.612,93 0.301,94 9.156,95 6.04,96 0.193,97 27.868,98 1.998,99 6.217,100 2.85,101 1.784,102 1.784,104 7.492,105 3.558,106 4.007,107 8.912,108 8.912,109 4.595,110 7,111 4.696,112 0.787,113 5.595,116 691,117 0.644,118 2,119 13.756,120 3.59,121 2.067,122 2.037,123 0.965,124 12,125 3.146,126 1.708,127 0.137,128 4.143,129 4.828,130 4.26,131 53.443,132 2,133 1.962,134 3.153,135 0.743,136 1.067,137 4,138 199.531,139 3.942,140 4.047,141 5.501,142 2.99,143 3.224,144 3.224,146 1.967,147 5.251,148 14.845,149 14.845,150 14.845,151 14.845,152 14.845,153 100,154 1.785,155 4,156 2.172,157 2.172,158 10.648,159 1.136,160 3.026,161 6.111,162 28.899,163 21.372,164 13.328,165 3.798,166 1.15,167 7.535,168 14.539,169 3.176,170 3.176,171 3.176,172 34.949,173 3.731,174 5.176,175 0.511,176 0.511,177 1.245,178 1.068,179 1.068,180 1.032,181 1.474,182 9.294,183 6.897,184 4.86,185 1.065,186 2.683,187 1,190 2.561,191 5.067,192 5.067,193 18.579,194 11.667,195 1.289,196 17.75,197 1.689,198 3.601,199 5.075,200 124.382,201 1.952,202 1.364,203 11.921,204 2.932,205 0.08,206 0.08,207 1,208 5.864,209 2.38,210 2.104,211 4.745}
{0 CHEMBL72,1 6.766,2 4.575,3 4.554,4 0.043,5 0.067,6 11.218,7 11.218,8 11.218,9 9.005,10 9.896,11 10.788,12 12.208,13 0.246,14 11.681,15 2,16 15.009,17 11.815,18 0.097,19 3.117,20 3.117,21 0.871,22 33.877,23 3.427,24 3.427,25 5.427,26 18.569,27 36.283,28 4.149,29 4.149,30 31.461,31 21.135,32 2.138,33 11.679,34 -0.709,35 -0.709,36 2.914,37 6.798,38 6.798,39 5.704,40 2.831,41 0.824,42 2,43 10.36,44 13.96,45 2.156,46 2.156,47 0.157,48 14.884,49 26.644,50 12.144,51 7.515,52 0.102,53 8.626,54 29.066,55 0.035,56 0.054,57 14.113,58 14.113,59 14.113,60 14.113,61 14.113,62 24.273,63 2,64 1.51,65 0.75,66 0.8,67 0.8,68 7.168,69 4.475,70 19.518,71 1.664,72 1.664,73 5.067,74 2.621,75 0.998,76 6.99,77 7.085,78 2.4,79 21.833,81 0.114,82 3.185,83 9.714,84 8,85 3.728,86 1.2,87 9.8,88 0.334,89 3.648,90 1.178,91 8253,92 0.268,93 0.423,94 7.215,95 4.037,96 0.286,97 13.19,98 1.311,99 5.943,100 2.694,101 1.532,102 1.532,104 6.025,105 3.315,106 3.714,107 8.722,108 8.722,109 4.277,110 9,111 4.46,112 -0.382,113 4.135,116 314,117 0.188,118 1,119 9.898,120 3.023,121 1.839,122 1.102,123 -0.181,124 12,125 3.059,126 0.805,127 0.189,128 3.892,129 4.575,130 4.03,131 40.544,132 0.73,133 2.01,134 3.062,135 0.082,136 -0.2,137 4,138 124.496,139 3.203,140 3.748,141 5.366,142 2.867,143 2.147,144 2.147,146 0.804,147 5.009,148 10.868,149 10.868,150 10.868,151 10.868,152 10.868,153 51,154 1.554,155 4,156 2.03,157 2.03,158 9.334,159 1.094,160 2.813,161 4.611,162 28.937,163 21.071,165 3.279,166 0.155,167 7.232,168 14.333,169 3.188,170 3.188,171 3.188,172 27.625,173 3.74,174 5.188,175 -1.961,176 -1.961,177 0.683,178 0.347,179 0.347,180 0.4,181 1.414,182 9.102,183 6.681,184 4.564,185 0.92,186 2.52,189 18.011,190 2.414,191 3.516,192 3.516,193 18.314,194 7.3,195 1.16,196 12.25,197 1.559,198 3.138,199 4.554,200 72.439,201 1.705,202 1.355,203 8.154,204 2.736,205 -0.875,206 -0.875,207 -0.426,208 5.778,209 1.469,210 2.069,211 6.61}
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