@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL3372

@attribute molecule_id {CHEMBL1744087,CHEMBL193400,CHEMBL1935588,CHEMBL1935589,CHEMBL1935590,CHEMBL1935592,CHEMBL1935593,CHEMBL1935594,CHEMBL1935597,CHEMBL1935598,CHEMBL1935599,CHEMBL1935600,CHEMBL1935601,CHEMBL1949760,CHEMBL1949761,CHEMBL1949762,CHEMBL1949763,CHEMBL1949764,CHEMBL1949765,CHEMBL1949768,CHEMBL1949772,CHEMBL1949773,CHEMBL1949930,CHEMBL222301,CHEMBL313714,CHEMBL361875,CHEMBL363466,CHEMBL418854,CHEMBL439849,CHEMBL506736,CHEMBL589390,CHEMBL61861}
@attribute PW4 numeric
@attribute AECC numeric
@attribute Eta_alpha_A numeric
@attribute IDE numeric
@attribute MDDD numeric
@attribute MSD numeric
@attribute MATS1e numeric
@attribute GATS2p numeric
@attribute GATS2v numeric
@attribute RBF numeric
@attribute SpMaxA_EA.bo. numeric
@attribute GATS4e numeric
@attribute SpMin1_Bh.e. numeric
@attribute SpMin1_Bh.i. numeric
@attribute AAC numeric
@attribute ALOGP numeric
@attribute ALOGP2 numeric
@attribute AMR numeric
@attribute AMW numeric
@attribute ARR numeric
@attribute ATS1e numeric
@attribute ATS1i numeric
@attribute ATS1m numeric
@attribute ATS1p numeric
@attribute ATS1s numeric
@attribute ATS1v numeric
@attribute ATS2e numeric
@attribute ATS2i numeric
@attribute ATS2m numeric
@attribute ATS2p numeric
@attribute ATS2s numeric
@attribute ATS2v numeric
@attribute ATS3e numeric
@attribute ATS3i numeric
@attribute ATS3m numeric
@attribute ATS3p numeric
@attribute ATS3s numeric
@attribute ATS3v numeric
@attribute ATS4e numeric
@attribute ATS4i numeric
@attribute ATS4m numeric
@attribute ATS4p numeric
@attribute ATS4s numeric
@attribute ATS4v numeric
@attribute ATS5e numeric
@attribute ATS5i numeric
@attribute ATS5m numeric
@attribute ATS5p numeric
@attribute ATS5s numeric
@attribute ATS5v numeric
@attribute ATS6e numeric
@attribute ATS6i numeric
@attribute ATS6m numeric
@attribute ATS6p numeric
@attribute ATS6s numeric
@attribute ATS6v numeric
@attribute ATS7e numeric
@attribute ATS7i numeric
@attribute ATS7m numeric
@attribute ATS7p numeric
@attribute ATS7s numeric
@attribute ATS7v numeric
@attribute ATS8e numeric
@attribute ATS8i numeric
@attribute ATS8m numeric
@attribute ATS8p numeric
@attribute ATS8s numeric
@attribute ATS8v numeric
@attribute ATSC1e numeric
@attribute ATSC1i numeric
@attribute ATSC1m numeric
@attribute ATSC1p numeric
@attribute ATSC1s numeric
@attribute ATSC1v numeric
@attribute ATSC2e numeric
@attribute ATSC2i numeric
@attribute ATSC2m numeric
@attribute ATSC2p numeric
@attribute ATSC2s numeric
@attribute ATSC2v numeric
@attribute ATSC3e numeric
@attribute ATSC3i numeric
@attribute ATSC3m numeric
@attribute ATSC3p numeric
@attribute ATSC3s numeric
@attribute ATSC3v numeric
@attribute ATSC4e numeric
@attribute ATSC4i numeric
@attribute ATSC4m numeric
@attribute ATSC4p numeric
@attribute ATSC4s numeric
@attribute ATSC4v numeric
@attribute ATSC5e numeric
@attribute ATSC5i numeric
@attribute ATSC5m numeric
@attribute ATSC5p numeric
@attribute ATSC5s numeric
@attribute ATSC5v numeric
@attribute ATSC6e numeric
@attribute ATSC6i numeric
@attribute ATSC6m numeric
@attribute ATSC6p numeric
@attribute ATSC6s numeric
@attribute ATSC6v numeric
@attribute ATSC7e numeric
@attribute ATSC7i numeric
@attribute ATSC7m numeric
@attribute ATSC7p numeric
@attribute ATSC7s numeric
@attribute ATSC7v numeric
@attribute ATSC8e numeric
@attribute ATSC8i numeric
@attribute ATSC8m numeric
@attribute ATSC8p numeric
@attribute ATSC8s numeric
@attribute ATSC8v numeric
@attribute BAC numeric
@attribute BBI numeric
@attribute BIC0 numeric
@attribute BIC1 numeric
@attribute BIC2 numeric
@attribute BIC3 numeric
@attribute BIC4 numeric
@attribute BIC5 numeric
@attribute BID numeric
@attribute BLI numeric
@attribute BLTA96 numeric
@attribute BLTD48 numeric
@attribute BLTF96 numeric
@attribute C. numeric
@attribute C.001 numeric
@attribute C.002 numeric
@attribute C.003 numeric
@attribute C.004 numeric
@attribute C.005 numeric
@attribute C.006 numeric
@attribute C.008 numeric
@attribute C.009 numeric
@attribute C.011 numeric
@attribute C.013 numeric
@attribute C.016 numeric
@attribute C.017 numeric
@attribute C.024 numeric
@attribute C.025 numeric
@attribute C.026 numeric
@attribute C.027 numeric
@attribute C.028 numeric
@attribute C.033 numeric
@attribute C.034 numeric
@attribute C.040 numeric
@attribute C.042 numeric
@attribute CATS2D_00_DD numeric
@attribute CATS2D_00_DP numeric
@attribute CATS2D_00_PP numeric
@attribute CATS2D_01_AA numeric
@attribute CATS2D_01_AN numeric
@attribute CATS2D_01_DN numeric
@attribute CATS2D_01_LL numeric
@attribute CATS2D_02_AA numeric
@attribute CATS2D_02_AL numeric
@attribute CATS2D_02_AN numeric
@attribute CATS2D_02_AP numeric
@attribute CATS2D_02_DA numeric
@attribute CATS2D_02_DL numeric
@attribute CATS2D_02_LL numeric
@attribute CATS2D_03_AA numeric
@attribute CATS2D_03_AL numeric
@attribute CATS2D_03_AP numeric
@attribute CATS2D_03_DA numeric
@attribute CATS2D_03_DD numeric
@attribute CATS2D_03_DL numeric
@attribute CATS2D_03_LL numeric
@attribute CATS2D_03_PL numeric
@attribute CATS2D_04_AA numeric
@attribute CATS2D_04_AL numeric
@attribute CATS2D_04_DA numeric
@attribute CATS2D_04_DL numeric
@attribute CATS2D_04_LL numeric
@attribute CATS2D_04_NL numeric
@attribute CATS2D_04_PL numeric
@attribute CATS2D_05_AA numeric
@attribute CATS2D_05_AL numeric
@attribute CATS2D_05_DA numeric
@attribute CATS2D_05_DL numeric
@attribute CATS2D_05_LL numeric
@attribute CATS2D_05_PL numeric
@attribute CATS2D_06_AA numeric
@attribute CATS2D_06_AL numeric
@attribute CATS2D_06_AN numeric
@attribute CATS2D_06_DA numeric
@attribute CATS2D_06_DL numeric
@attribute CATS2D_06_LL numeric
@attribute CATS2D_06_NL numeric
@attribute CATS2D_06_PL numeric
@attribute CATS2D_07_AA numeric
@attribute CATS2D_07_AL numeric
@attribute CATS2D_07_AP numeric
@attribute CATS2D_07_DA numeric
@attribute CATS2D_07_DL numeric
@attribute CATS2D_07_LL numeric
@attribute CATS2D_07_NL numeric
@attribute CATS2D_08_AA numeric
@attribute CATS2D_08_AL numeric
@attribute CATS2D_08_DA numeric
@attribute CATS2D_08_DL numeric
@attribute CATS2D_08_LL numeric
@attribute CATS2D_08_NL numeric
@attribute CATS2D_09_AA numeric
@attribute CATS2D_09_AL numeric
@attribute CATS2D_09_DA numeric
@attribute CATS2D_09_DL numeric
@attribute CATS2D_09_LL numeric
@attribute CATS2D_09_NL numeric
@attribute CENT 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 Chi0_EA.bo. numeric
@attribute Chi0_EA.dm. numeric
@attribute Chi0_EA.ed. numeric
@attribute Chi0_EA.ri. 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 Chi1_EA.bo. numeric
@attribute Chi1_EA.dm. numeric
@attribute Chi1_EA.ed. numeric
@attribute Chi1_EA.ri. numeric
@attribute CIC0 numeric
@attribute CIC1 numeric
@attribute CIC2 numeric
@attribute CIC3 numeric
@attribute CIC4 numeric
@attribute CIC5 numeric
@attribute CID numeric
@attribute Cl.089 numeric
@attribute CMC.50 numeric
@attribute CMC.80 numeric
@attribute CSI numeric
@attribute DBI numeric
@attribute D.Dtr03 numeric
@attribute D.Dtr05 numeric
@attribute D.Dtr06 numeric
@attribute D.Dtr09 numeric
@attribute D.Dtr10 numeric
@attribute DECC numeric
@attribute DELS numeric
@attribute Depressant.50 numeric
@attribute Depressant.80 numeric
@attribute DLS_01 numeric
@attribute DLS_02 numeric
@attribute DLS_03 numeric
@attribute DLS_04 numeric
@attribute DLS_05 numeric
@attribute DLS_cons numeric
@attribute Dz numeric
@attribute ECC numeric
@attribute Eig01_AEA.bo. numeric
@attribute Eig01_AEA.dm. numeric
@attribute Eig01_AEA.ed. numeric
@attribute Eig01_AEA.ri. numeric
@attribute Eig01_EA numeric
@attribute Eig01_EA.bo. numeric
@attribute Eig01_EA.dm. numeric
@attribute Eig01_EA.ed. numeric
@attribute Eig01_EA.ri. numeric
@attribute Eig02_AEA.bo. numeric
@attribute Eig02_AEA.dm. numeric
@attribute Eig02_AEA.ed. numeric
@attribute Eig02_AEA.ri. numeric
@attribute Eig02_EA numeric
@attribute Eig02_EA.bo. numeric
@attribute Eig02_EA.dm. numeric
@attribute Eig02_EA.ed. numeric
@attribute Eig02_EA.ri. numeric
@attribute Eig03_AEA.bo. numeric
@attribute Eig03_AEA.dm. numeric
@attribute Eig03_AEA.ed. numeric
@attribute Eig03_AEA.ri. numeric
@attribute Eig03_EA numeric
@attribute Eig03_EA.bo. numeric
@attribute Eig03_EA.dm. numeric
@attribute Eig03_EA.ed. numeric
@attribute Eig03_EA.ri. numeric
@attribute Eig04_AEA.bo. numeric
@attribute Eig04_AEA.dm. numeric
@attribute Eig04_AEA.ed. numeric
@attribute Eig04_AEA.ri. numeric
@attribute Eig04_EA numeric
@attribute Eig04_EA.bo. numeric
@attribute Eig04_EA.dm. numeric
@attribute Eig04_EA.ed. numeric
@attribute pXC50 numeric

@data
{1 0.179,2 11.32,3 0.465,4 3.624,5 26.128,6 6.583,7 -0.023,8 0.974,9 0.955,10 0.093,11 0.145,12 0.883,13 1.951,14 1.936,15 1.497,16 1.059,17 1.122,18 96.185,19 6.794,20 0.214,21 4.044,22 4.157,23 3.546,24 3.482,25 4.974,26 3.475,27 4.664,28 4.841,29 3.86,30 3.872,31 5.556,32 3.847,33 4.894,34 5.104,35 3.893,36 4.021,37 5.762,38 3.937,39 4.899,40 5.156,41 3.713,42 3.964,43 5.645,44 3.837,45 4.778,46 5.016,47 3.653,48 3.883,49 5.55,50 3.773,51 4.731,52 4.959,53 3.672,54 3.85,55 5.544,56 3.747,57 4.716,58 4.948,59 3.641,60 3.798,61 5.562,62 3.702,63 4.555,64 4.774,65 3.456,66 3.713,67 5.36,68 3.596,69 0.021,70 0.713,71 12.317,72 4.904,73 4.076,74 6.632,75 0.363,76 1.14,77 24.895,78 7.651,79 23.048,80 10.732,81 0.71,82 1.345,83 31.793,84 10.196,85 39.576,86 14.494,87 0.483,88 1.291,89 31.91,90 10.592,91 29.94,92 15.36,93 0.363,94 1.157,95 28.082,96 9.634,97 27.297,98 13.6,99 0.382,100 1.129,101 26.625,102 9.098,103 27.243,104 12.97,105 0.572,106 1.08,107 26.799,108 8.54,109 34.582,110 12.21,111 0.224,112 0.986,113 21.966,114 7.722,115 19.739,116 11.045,118 37,119 0.256,120 0.543,121 0.756,122 0.843,123 0.861,124 0.861,125 3.267,126 0.974,127 -2.07,128 -2.12,129 -2.11,130 37.3,136 10,137 1,141 1,142 1,143 3,144 1,145 2,158 5,160 4,165 4,166 3,167 6,169 1,172 3,174 1,175 4,176 1,178 2,182 4,185 1,187 1,188 4,191 1,195 2,196 4,198 1,199 2,203 2,205 2,209 1,211 1,214 926,215 17.568,216 17.568,217 17.568,218 17.568,219 17.568,220 16.609,221 24.445,222 10.808,223 18.262,224 13.898,225 13.898,226 13.898,227 13.898,228 13.898,229 12.378,230 30.267,231 5.212,232 14.993,233 4.175,234 2.49,235 1.245,236 0.735,237 0.627,238 0.627,239 3.975,242 1,243 625,244 2.449,247 279.921,249 105.406,250 2.093,251 21.397,254 1,255 1,256 1,257 1,258 1,259 1,260 55,261 283,262 4.418,263 3.374,264 6.521,265 4.022,266 3.064,267 4.073,268 1.287,269 10.266,270 2.934,271 3.839,272 3.062,273 5.599,274 3.57,275 2.631,276 3.11,277 0.907,278 7.727,279 2.475,280 3.528,281 2.926,282 5.36,283 3.432,284 2.514,285 2.576,286 0.86,287 7.003,288 2.299,289 3.412,290 2.658,291 5.22,292 3.183,293 2.238,294 2.468,295 0.86,296 6.482,297 5.523}
{0 CHEMBL193400,1 0.2,2 9.231,3 0.505,4 3.322,5 20.686,6 5.518,7 0.064,8 0.741,9 0.8,10 0.065,11 0.172,12 1.249,13 2,14 2.007,15 1.861,16 4.393,17 19.3,18 105.254,19 9.543,20 0.552,21 3.892,22 3.981,23 3.816,24 3.537,25 4.925,26 3.487,27 4.459,28 4.598,29 4.185,30 3.965,31 5.719,32 3.899,33 4.727,34 4.903,35 4.315,36 4.14,37 5.86,38 4.035,39 4.765,40 4.928,41 4.365,42 4.141,43 5.994,44 4.046,45 4.742,46 4.898,47 4.282,48 4.091,49 6.043,50 3.998,51 4.679,52 4.871,53 4.084,54 4.006,55 5.763,56 3.863,57 4.551,58 4.767,59 3.972,60 3.824,61 5.692,62 3.674,63 4.333,64 4.536,65 3.635,66 3.547,67 5.478,68 3.417,69 0.109,70 0.649,71 7.795,72 4.037,73 15.594,74 4.343,75 0.401,76 1.088,77 13.877,78 6.743,79 44.32,80 7.633,81 0.454,82 1.339,83 30.595,84 10.748,85 38.32,86 11.801,87 0.521,88 1.307,89 33.291,90 11.337,91 63.474,92 11.78,93 0.707,94 1.2,95 34.353,96 10.656,97 85.391,98 11.588,99 0.55,100 1.178,101 31.439,102 10.072,103 52.392,104 11.786,105 0.51,106 1.046,107 31.318,108 9.891,109 61.071,110 11.295,111 0.461,112 0.797,113 26.312,114 7.751,115 64.737,116 7.979,117 17,118 43,119 0.32,120 0.607,121 0.712,122 0.83,123 0.846,124 0.846,125 3.306,126 1.08,127 -4.02,128 -3.97,129 -3.76,130 41.9,136 4,143 7,144 1,145 4,148 1,149 1,158 4,159 3,160 4,165 7,167 10,169 1,172 6,174 1,175 10,178 3,182 9,184 1,185 6,187 2,191 3,192 5,196 4,198 1,199 1,200 7,203 1,206 4,209 2,210 2,212 1,214 908,215 17.394,216 17.394,217 17.394,218 17.394,219 17.394,220 15.253,221 16.361,222 10.056,223 18.022,224 14.301,225 14.301,226 14.301,227 14.301,228 14.301,229 10.989,230 19.016,231 4.736,232 15.436,233 3.565,234 1.899,235 1.294,236 0.605,237 0.512,238 0.512,239 3.997,240 2,242 1,243 522,244 3.162,246 51.767,247 213.335,248 97.319,250 1.479,251 34.753,254 1,255 1,256 1,257 0.8,258 0.5,259 0.9,260 56.167,261 240,262 5.031,263 4.723,264 7.739,265 4.511,266 3.579,267 4.986,268 0.8,269 14.015,270 3.323,271 4.573,272 3.445,273 6.897,274 4.117,275 3.174,276 4.433,277 0.4,278 11.488,279 2.974,280 3.953,281 2.915,282 6.156,283 3.528,284 2.599,285 3.497,287 8.717,288 2.397,289 3.762,290 2.78,291 5.414,292 3.272,293 2.353,294 3.235,296 6.63,297 7.9}
{0 CHEMBL1935588,1 0.195,2 8.455,3 0.488,4 3.165,5 14.215,6 4.97,7 0.076,8 0.904,9 0.892,10 0.05,11 0.196,12 1.582,13 2.041,14 2.059,15 1.619,16 3.14,17 9.86,18 84.866,19 8.47,20 0.64,21 3.744,22 3.818,23 3.604,24 3.418,25 4.78,26 3.364,27 4.298,28 4.412,29 3.933,30 3.828,31 5.576,32 3.769,33 4.547,34 4.702,35 3.992,36 3.945,37 5.716,38 3.854,39 4.574,40 4.733,41 3.843,42 3.851,43 5.805,44 3.763,45 4.37,46 4.534,47 3.689,48 3.692,49 5.563,50 3.601,51 4.307,52 4.493,53 3.566,54 3.596,55 5.503,56 3.485,57 4.168,58 4.37,59 3.311,60 3.408,61 5.217,62 3.292,63 4.017,64 4.2,65 3.041,66 3.166,67 5.246,68 3.089,69 0.073,70 0.503,71 8.59,72 3.993,73 14.074,74 4.126,75 0.203,76 0.853,77 13.434,78 6.537,79 40.983,80 7.232,81 0.268,82 1.088,83 23.914,84 9.621,85 33.047,86 10.34,87 0.4,88 1.061,89 24.344,90 9.405,91 63.144,92 9.573,93 0.281,94 0.873,95 18.645,96 7.54,97 46.181,98 8.164,99 0.368,100 0.844,101 18.185,102 7.199,103 46.625,104 8.384,105 0.22,106 0.74,107 19.031,108 6.673,109 39.585,110 7.507,111 0.367,112 0.591,113 13.247,114 4.792,115 52.105,116 5.205,117 5,118 37,119 0.287,120 0.6,121 0.715,122 0.82,123 0.846,124 0.846,125 3.148,126 1.044,127 -3.57,128 -3.54,129 -3.38,130 45.9,132 1,136 2,143 8,144 2,145 2,149 2,158 8,159 1,160 3,164 1,165 8,167 11,169 1,171 1,172 6,175 8,177 1,178 6,182 4,184 2,185 9,187 2,188 2,191 1,192 8,196 2,200 6,203 2,204 2,206 3,209 1,211 2,212 1,214 558,215 14.979,216 14.979,217 14.979,218 14.979,219 14.979,220 12.911,221 12.686,222 8.726,223 15.334,224 12.358,225 12.358,226 12.358,227 12.358,228 12.358,229 9.105,230 13.418,231 4.133,232 12.952,233 3.59,234 1.825,235 1.176,236 0.581,237 0.432,238 0.432,239 3.846,241 1,242 1,243 416,244 3,246 32.804,247 152.574,248 129.96,250 1.273,251 29.032,252 1,253 1,254 1,255 1,256 1,257 0.6,258 0.5,259 0.87,260 47.5,261 186,262 4.979,263 5.351,264 7.669,265 4.396,266 3.522,267 4.892,268 2.95,269 13.63,270 3.216,271 4.612,272 3.351,273 6.754,274 4.165,275 3.179,276 4.534,277 0.657,278 11.088,279 2.958,280 3.729,281 3.079,282 5.669,283 3.32,284 2.338,285 3.231,287 7.286,288 2.291,289 3.548,290 2.402,291 5.454,292 3.078,293 2.099,294 2.976,296 6.32,297 6.807}
{0 CHEMBL1935589,1 0.195,2 8.545,3 0.488,4 3.209,5 15.364,6 5.093,7 0.076,8 0.904,9 0.892,10 0.05,11 0.196,12 1.539,13 2.039,14 2.057,15 1.619,16 3.14,17 9.86,18 84.866,19 8.47,20 0.64,21 3.744,22 3.818,23 3.604,24 3.418,25 4.78,26 3.364,27 4.298,28 4.412,29 3.933,30 3.828,31 5.576,32 3.769,33 4.547,34 4.702,35 3.992,36 3.945,37 5.714,38 3.854,39 4.575,40 4.733,41 3.861,42 3.836,43 5.808,44 3.757,45 4.383,46 4.546,47 3.632,48 3.651,49 5.671,50 3.563,51 4.246,52 4.459,53 3.425,54 3.513,55 5.299,56 3.395,57 4.033,58 4.234,59 3.312,60 3.318,61 5.01,62 3.194,63 3.94,64 4.094,65 3.1,66 3.129,67 5.26,68 3.072,69 0.073,70 0.503,71 8.59,72 3.993,73 14.074,74 4.126,75 0.203,76 0.853,77 13.434,78 6.537,79 40.983,80 7.232,81 0.268,82 1.088,83 23.914,84 9.621,85 32.926,86 10.34,87 0.399,88 1.06,89 24.791,90 9.387,91 63.419,92 9.545,93 0.481,94 0.863,95 18.317,96 7.36,97 62.761,98 8.046,99 0.169,100 0.793,101 15.741,102 6.574,103 27.392,104 8.105,105 0.175,106 0.663,107 17.742,108 6.128,109 25.117,110 6.764,111 0.366,112 0.555,113 14.003,114 4.694,115 53.782,116 4.496,117 5,118 37,119 0.287,120 0.6,121 0.715,122 0.82,123 0.846,124 0.846,125 3.148,126 1.044,127 -3.57,128 -3.54,129 -3.38,130 45.9,132 1,136 2,143 8,144 2,145 2,149 2,158 8,159 1,160 3,164 1,165 9,167 10,169 1,171 1,172 6,175 7,177 1,178 6,181 2,182 4,184 2,185 6,188 4,191 1,192 6,196 4,200 5,203 1,204 2,206 5,211 2,212 3,214 550,215 14.979,216 14.979,217 14.979,218 14.979,219 14.979,220 12.911,221 12.686,222 8.724,223 15.334,224 12.358,225 12.358,226 12.358,227 12.358,228 12.358,229 9.105,230 13.418,231 4.128,232 12.952,233 3.59,234 1.825,235 1.176,236 0.581,237 0.432,238 0.432,239 3.846,241 1,242 1,243 421,244 3,246 33.146,247 154.389,248 131.211,250 1.364,251 28.858,252 1,253 1,254 1,255 1,256 1,257 0.6,258 0.5,259 0.87,260 47.5,261 188,262 4.978,263 5.351,264 7.668,265 4.393,266 3.52,267 4.89,268 2.95,269 13.627,270 3.212,271 4.614,272 3.347,273 6.752,274 4.17,275 3.182,276 4.537,277 0.657,278 11.079,279 2.964,280 3.744,281 3.088,282 5.695,283 3.33,284 2.349,285 3.249,287 7.375,288 2.299,289 3.53,290 2.395,291 5.434,292 3.059,293 2.08,294 2.954,296 6.245,297 8.009}
{0 CHEMBL1935590,1 0.192,2 8.652,3 0.479,4 3.257,5 16.431,6 5.27,7 0.035,8 0.904,9 0.879,10 0.05,11 0.188,12 1.247,13 2.037,14 2.056,15 1.762,16 3.345,17 11.192,18 85.082,19 8.956,20 0.615,21 3.756,22 3.826,23 3.644,24 3.416,25 4.861,26 3.377,27 4.311,28 4.42,29 3.99,30 3.825,31 5.67,32 3.787,33 4.568,34 4.716,35 4.051,36 3.942,37 5.834,38 3.875,39 4.59,40 4.742,41 3.973,42 3.832,43 5.871,44 3.778,45 4.412,46 4.562,47 3.771,48 3.647,49 6.005,50 3.592,51 4.26,52 4.466,53 3.518,54 3.509,55 5.422,56 3.421,57 4.068,58 4.256,59 3.424,60 3.312,61 5.233,62 3.233,63 3.973,64 4.113,65 3.251,66 3.124,67 5.457,68 3.106,69 0.11,70 0.577,71 7.525,72 4.029,73 18.919,74 3.832,75 0.302,76 0.967,77 12.02,78 6.596,79 46.844,80 6.759,81 0.47,82 1.238,83 23.349,84 9.705,85 46.207,86 9.623,87 0.607,88 1.189,89 24.419,90 9.478,91 88.574,92 8.906,93 0.832,94 0.993,95 17.881,96 7.429,97 126.129,98 7.61,99 0.294,100 0.863,101 15.396,102 6.607,103 36.845,104 7.82,105 0.33,106 0.79,107 18.128,108 6.195,109 46.616,110 6.194,111 0.574,112 0.642,113 14.033,114 4.74,115 78.225,116 4.112,117 10,118 39,119 0.312,120 0.641,121 0.771,122 0.875,123 0.885,124 0.885,125 3.19,126 1.015,127 -3.96,128 -3.91,129 -3.71,130 45.9,132 1,136 2,143 7,144 2,145 3,149 2,158 6,159 1,160 3,164 1,165 8,167 10,169 1,171 1,172 5,175 5,177 1,178 6,181 2,182 4,184 2,185 4,188 4,191 1,192 5,196 3,200 4,203 1,204 2,206 4,211 2,212 2,214 639,215 15.427,216 15.427,217 15.427,218 15.427,219 15.427,220 13.334,221 14.314,222 8.849,223 15.844,224 12.841,225 12.841,226 12.841,227 12.841,228 12.841,229 9.516,230 14.555,231 4.189,232 13.554,233 3.447,234 1.59,235 0.855,236 0.27,237 0.216,238 0.216,239 3.885,241 1,242 1,243 442,244 3.082,246 35.539,247 164.391,248 140.21,250 1.406,251 39.291,253 1,254 1,255 1,256 1,257 0.6,258 0.5,259 0.87,260 51,261 199,262 4.981,263 5.351,264 7.67,265 4.396,266 3.524,267 4.893,268 2.95,269 13.638,270 3.213,271 4.615,272 3.349,273 6.752,274 4.171,275 3.182,276 4.539,277 0.657,278 11.079,279 2.972,280 3.891,281 3.136,282 5.719,283 3.428,284 2.472,285 3.466,287 7.454,288 2.358,289 3.643,290 2.781,291 5.476,292 3.23,293 2.257,294 3.06,296 6.726,297 8.161}
{0 CHEMBL1935592,1 0.193,2 9.292,3 0.482,4 3.332,5 18.375,6 5.503,7 0.046,8 0.831,9 0.806,10 0.068,11 0.181,12 1.336,13 2.037,14 2.057,15 1.637,16 3.124,17 9.757,18 91.329,19 8.376,20 0.593,21 3.846,22 3.919,23 3.678,24 3.472,25 4.903,26 3.429,27 4.403,28 4.524,29 4.006,30 3.873,31 5.666,32 3.829,33 4.612,34 4.752,35 4.08,36 4.008,37 5.796,38 3.934,39 4.679,40 4.83,41 4.005,42 3.944,43 5.887,44 3.872,45 4.563,46 4.73,47 3.845,48 3.804,49 5.873,50 3.712,51 4.427,52 4.628,53 3.635,54 3.675,55 5.535,56 3.566,57 4.289,58 4.475,59 3.499,60 3.479,61 5.393,62 3.39,63 4.131,64 4.272,65 3.328,66 3.333,67 5.438,68 3.28,69 0.091,70 0.564,71 9.563,72 4.495,73 14.932,74 4.621,75 0.316,76 0.94,77 16.13,78 7.326,79 47.186,80 7.909,81 0.35,82 1.151,83 24.868,84 10.059,85 34.921,86 10.618,87 0.489,88 1.167,89 26.686,90 10.161,91 65.607,92 10.58,93 0.721,94 1.026,95 22.761,96 8.913,97 78.008,98 10.094,99 0.249,100 0.949,101 21.814,102 8.323,103 34.406,104 9.715,105 0.394,106 0.797,107 21.976,108 7.165,109 53.753,110 7.484,111 0.49,112 0.658,113 15.746,114 5.496,115 57.51,116 5.616,117 11,118 40,119 0.284,120 0.627,121 0.777,122 0.868,123 0.877,124 0.877,125 3.229,126 1.024,127 -3.29,128 -3.28,129 -3.14,130 43.9,132 1,135 1,136 2,143 7,144 2,145 3,149 2,158 6,159 1,160 5,164 1,165 8,167 11,169 1,171 1,172 5,175 6,177 1,178 6,181 4,182 4,184 2,185 4,188 6,191 1,192 5,196 4,200 4,202 1,203 2,204 2,206 4,209 1,211 2,212 2,214 740,215 16.297,216 16.297,217 16.297,218 16.297,219 16.297,220 14.257,221 17,222 9.351,223 16.83,224 13.268,225 13.268,226 13.268,227 13.268,228 13.268,229 9.939,230 18.697,231 4.336,232 14.048,233 3.721,234 1.752,235 0.888,236 0.36,237 0.311,238 0.311,239 3.926,241 1,242 1,243 493,244 3.24,246 38.075,247 175.051,248 149.714,250 1.483,251 32.989,253 1,254 1,255 1,256 1,257 0.8,258 0.5,259 0.9,260 52.5,261 223,262 4.981,263 5.351,264 7.67,265 4.397,266 3.524,267 4.893,268 2.95,269 13.639,270 3.213,271 4.615,272 3.348,273 6.752,274 4.171,275 3.183,276 4.539,277 0.86,278 11.079,279 2.974,280 3.928,281 3.124,282 5.733,283 3.482,284 2.53,285 3.495,286 0.657,287 7.555,288 2.403,289 3.653,290 2.734,291 5.507,292 3.253,293 2.276,294 3.068,296 7.02,297 7.469}
{0 CHEMBL1935593,1 0.188,2 8.75,3 0.489,4 3.265,5 17.688,6 5.335,7 0.086,8 0.88,9 0.832,10 0.043,11 0.181,12 1.642,13 2.039,14 2.057,15 1.562,16 3.723,17 13.857,18 93.922,19 7.941,20 0.593,21 3.872,22 3.958,23 3.665,24 3.528,25 4.884,26 3.464,27 4.441,28 4.575,29 4.035,30 3.951,31 5.659,32 3.889,33 4.725,34 4.884,35 4.128,36 4.114,37 5.869,38 4.024,39 4.865,40 5.053,41 4.009,42 4.074,43 5.992,44 3.976,45 4.683,46 4.88,47 3.769,48 3.923,49 5.834,50 3.797,51 4.524,52 4.758,53 3.577,54 3.768,55 5.509,56 3.626,57 4.364,58 4.606,59 3.514,60 3.596,61 5.214,62 3.418,63 4.147,64 4.304,65 3.411,66 3.396,67 5.456,68 3.312,69 0.063,70 0.587,71 10.847,72 4.748,73 14.212,74 5.308,75 0.168,76 1.002,77 17.66,78 7.933,79 43.798,80 9.417,81 0.225,82 1.337,83 28.096,84 10.948,85 35.713,86 12.462,87 0.491,88 1.397,89 34.344,90 12.372,91 74.99,92 13.801,93 0.469,94 1.178,95 25.809,96 10.229,97 66.878,98 12.472,99 0.153,100 1.042,101 21.686,102 8.852,103 31.588,104 11.525,105 0.169,106 0.905,107 22.813,108 8.324,109 30.693,110 10.15,111 0.31,112 0.723,113 22.391,114 6.971,115 47.097,116 6.817,117 17,118 42,119 0.269,120 0.585,121 0.698,122 0.786,123 0.808,124 0.808,125 3.23,126 1.054,127 -4.04,128 -3.99,129 -3.78,130 44.2,131 2,132 1,136 1,139 1,143 8,144 2,145 2,149 2,158 8,159 1,160 3,164 3,165 10,167 12,169 1,171 1,172 8,175 7,177 1,178 10,181 2,182 4,184 2,185 10,188 4,191 1,192 8,196 4,200 5,203 5,204 2,206 5,211 2,212 7,214 642,215 15.797,216 15.797,217 15.797,218 15.797,219 15.797,220 13.767,221 14.611,222 8.902,223 16.154,224 13.314,225 13.314,226 13.314,227 13.314,228 13.314,229 10.105,230 19.239,231 4.18,232 13.92,233 3.865,234 2.028,235 1.373,236 0.861,237 0.733,238 0.733,239 3.921,241 1,242 1,243 463,244 3.464,246 35.897,247 170.422,248 143.94,250 1.438,251 30.459,253 1,254 1,255 1,256 1,257 0.8,258 0.5,259 0.9,260 51.5,261 210,262 4.979,263 5.351,264 7.668,265 4.494,266 3.538,267 4.891,268 2.95,269 13.629,270 3.453,271 4.741,272 3.768,273 7.447,274 4.369,275 3.475,276 4.573,277 0.657,278 13.123,279 3.022,280 4.187,281 3.159,282 6.515,283 3.883,284 2.897,285 3.505,287 10.144,288 2.829,289 3.657,290 2.932,291 5.62,292 3.2,293 2.226,294 3.145,296 6.932,297 7.387}
{0 CHEMBL1935594,1 0.186,2 8.84,3 0.481,4 3.31,5 18.925,6 5.518,7 0.044,8 0.88,9 0.816,10 0.043,11 0.175,12 1.282,13 2.037,14 2.056,15 1.693,16 3.928,17 15.429,18 94.138,19 8.359,20 0.571,21 3.882,22 3.965,23 3.703,24 3.526,25 4.957,26 3.476,27 4.453,28 4.582,29 4.087,30 3.949,31 5.746,32 3.905,33 4.742,34 4.895,35 4.179,36 4.111,37 5.972,38 4.041,39 4.877,40 5.06,41 4.106,42 4.07,43 6.045,44 3.994,45 4.705,46 4.892,47 3.891,48 3.92,49 6.125,50 3.82,51 4.535,52 4.764,53 3.658,54 3.765,55 5.61,56 3.646,57 4.389,58 4.621,59 3.606,60 3.591,61 5.4,62 3.45,63 4.174,64 4.319,65 3.524,66 3.392,67 5.622,68 3.34,69 0.093,70 0.661,71 9.86,72 4.784,73 17.047,74 5.011,75 0.257,76 1.116,77 16.553,78 7.99,79 51.474,80 8.966,81 0.407,82 1.485,83 27.439,84 11.035,85 45.382,86 11.701,87 0.716,88 1.511,89 34.647,90 12.455,91 99.928,92 13.197,93 0.841,94 1.299,95 25.81,96 10.292,97 136.054,98 12.061,99 0.275,100 1.108,101 21.604,102 8.884,103 40.687,104 11.254,105 0.329,106 1.023,107 23.365,108 8.389,109 51.459,110 9.623,111 0.521,112 0.807,113 23.003,114 7.01,115 66.701,116 6.475,117 26,118 44,119 0.292,120 0.62,121 0.746,122 0.832,123 0.84,124 0.84,125 3.268,126 1.027,127 -4.42,128 -4.35,129 -4.1,130 44.2,131 2,132 1,136 1,139 1,143 7,144 2,145 3,149 2,158 6,159 1,160 3,164 3,165 9,167 12,169 1,171 1,172 7,175 5,177 1,178 10,181 2,182 4,184 2,185 8,188 4,191 1,192 7,196 3,200 4,203 5,204 2,206 4,211 2,212 6,214 753,215 16.245,216 16.245,217 16.245,218 16.245,219 16.245,220 14.19,221 16.238,222 9.027,223 16.664,224 13.797,225 13.797,226 13.797,227 13.797,228 13.797,229 10.515,230 20.375,231 4.241,232 14.521,233 3.733,234 1.826,235 1.097,236 0.593,237 0.547,238 0.547,239 3.957,241 1,242 1,243 484,244 3.536,246 38.289,247 180.424,248 152.939,250 1.459,251 40.907,253 1,254 1,255 1,256 1,257 0.8,258 0.5,259 0.9,260 55,261 221,262 4.982,263 5.351,264 7.67,265 4.495,266 3.54,267 4.895,268 2.95,269 13.641,270 3.453,271 4.742,272 3.768,273 7.447,274 4.374,275 3.477,276 4.574,277 0.657,278 13.124,279 3.027,280 4.189,281 3.191,282 6.516,283 3.884,284 2.899,285 3.539,287 10.144,288 2.833,289 3.87,290 2.964,291 5.663,292 3.396,293 2.447,294 3.394,296 7.172,297 7.721}
{0 CHEMBL1935597,1 0.187,2 9.519,3 0.466,4 3.395,5 21.679,6 5.813,7 0.011,8 0.874,9 0.842,10 0.043,11 0.163,12 1.276,13 2.037,14 2.056,15 1.84,16 4.092,17 16.747,18 93.951,19 9.196,20 0.533,21 3.903,22 3.977,23 3.774,24 3.522,25 5.062,26 3.5,27 4.49,28 4.606,29 4.179,30 3.944,31 6,32 3.931,33 4.77,34 4.912,35 4.314,36 4.106,37 6.156,38 4.078,39 4.931,40 5.094,41 4.273,42 4.062,43 6.34,44 4.046,45 4.749,46 4.919,47 4.068,48 3.91,49 6.308,50 3.878,51 4.577,52 4.789,53 3.813,54 3.757,55 5.867,56 3.695,57 4.438,58 4.65,59 3.769,60 3.581,61 5.702,62 3.509,63 4.205,64 4.338,65 3.742,66 3.383,67 5.679,68 3.378,69 0.2,70 0.823,71 7.789,72 4.858,73 39.421,74 4.44,75 0.717,76 1.498,77 14.481,78 8.147,79 128.949,80 7.868,81 0.831,82 1.783,83 25.107,84 11.138,85 91.496,86 10.759,87 1.586,88 1.902,89 34.235,90 12.686,91 225.867,92 11.165,93 1.283,94 1.637,95 24.758,96 10.475,97 206.939,98 10.518,99 0.738,100 1.369,101 21.503,102 9.026,103 101.824,104 10.114,105 0.759,106 1.26,107 23.77,108 8.517,109 117.474,110 8.572,111 0.736,112 0.963,113 23.9,114 7.14,115 120.479,116 5.697,117 38,118 47,119 0.317,120 0.657,121 0.789,122 0.875,123 0.883,124 0.883,125 3.341,126 0.981,127 -4.65,128 -4.57,129 -4.3,130 44.2,131 1,132 1,136 1,138 1,139 1,143 7,144 2,145 3,149 2,158 6,159 1,160 3,164 2,165 8,167 11,169 1,171 1,172 6,175 5,177 1,178 8,181 2,182 4,184 2,185 6,188 4,191 1,192 6,196 3,200 4,203 3,204 2,206 4,211 2,212 4,214 927,215 17.529,216 17.529,217 17.529,218 17.529,219 17.529,220 15.474,221 17.398,222 9.69,223 18.093,224 14.731,225 14.731,226 14.731,227 14.731,228 14.731,229 11.454,230 20.199,231 4.486,232 15.687,233 3.587,234 1.612,235 0.847,236 0.343,237 0.297,238 0.297,239 4.028,242 1,243 556,244 3.937,246 41.608,247 197.878,248 167.477,250 1.536,251 61.191,254 1,255 1,256 1,257 0.8,258 0.5,259 0.9,260 62,261 257,262 4.983,263 5.351,264 7.842,265 4.585,266 3.617,267 4.895,268 2.95,269 14.448,270 3.512,271 4.789,272 3.997,273 7.67,274 4.383,275 3.514,276 4.579,277 1.51,278 13.637,279 3.043,280 4.299,281 3.239,282 6.639,283 3.955,284 2.975,285 3.615,286 0.657,287 10.532,288 2.875,289 3.875,290 3.094,291 5.698,292 3.4,293 2.451,294 3.428,296 7.23,297 6.738}
{0 CHEMBL1935598,1 0.196,2 10.037,3 0.476,4 3.432,5 22.494,6 5.899,7 0.026,8 0.826,9 0.786,10 0.08,11 0.163,12 1.25,13 2.037,14 2.056,15 1.706,16 3.448,17 11.891,18 100.434,19 8.287,20 0.533,21 3.972,22 4.052,23 3.77,24 3.574,25 5.054,26 3.535,27 4.548,28 4.677,29 4.133,30 3.988,31 5.813,32 3.953,33 4.801,34 4.947,35 4.258,36 4.161,37 6.024,38 4.102,39 4.979,40 5.154,41 4.231,42 4.151,43 6.147,44 4.093,45 4.855,46 5.031,47 4.05,48 4.054,49 6.237,50 3.973,51 4.785,52 5.022,53 3.819,54 3.945,55 5.802,56 3.828,57 4.603,58 4.834,59 3.75,60 3.773,61 5.588,62 3.636,63 4.389,64 4.56,65 3.691,66 3.578,67 5.712,68 3.508,69 0.116,70 0.717,71 10.823,72 5.262,73 18.477,74 5.483,75 0.411,76 1.191,77 19.201,78 8.652,79 59.672,80 9.424,81 0.493,82 1.555,83 28.737,84 11.636,85 48.707,86 12.425,87 0.959,88 1.629,89 38.009,90 13.23,91 109.854,92 14.145,93 0.97,94 1.481,95 29.159,96 11.417,97 141.199,98 13.277,99 0.506,100 1.343,101 29.088,102 11.1,103 57.367,104 14.115,105 0.455,106 1.203,107 27.905,108 9.99,109 59.448,110 11.742,111 0.615,112 0.956,113 26.981,114 8.311,115 75.646,116 8.441,117 28,118 46,119 0.289,120 0.629,121 0.792,122 0.87,123 0.877,124 0.877,125 3.341,126 1.014,127 -3.86,128 -3.82,129 -3.63,130 42.6,131 1,132 1,135 1,136 2,139 1,143 7,144 2,145 3,149 2,158 6,159 1,160 3,164 2,165 8,167 12,169 2,171 1,172 6,174 1,175 6,177 1,178 8,181 2,182 6,184 2,185 6,188 6,191 1,192 6,196 4,200 4,203 3,204 2,206 4,208 2,211 2,212 4,214 948,215 17.874,216 17.874,217 17.874,218 17.874,219 17.874,220 15.82,221 18.151,222 10.131,223 18.46,224 14.74,225 14.74,226 14.74,227 14.74,228 14.74,229 11.461,230 21.456,231 4.63,232 15.638,233 3.848,234 1.837,235 0.876,236 0.415,237 0.373,238 0.373,239 4.031,241 1,242 1,243 586,244 3.808,246 41.851,247 198.491,248 168.251,250 1.523,251 45.036,254 1,255 1,256 1,257 0.8,258 0.5,259 0.9,260 60,261 271,262 4.982,263 5.351,264 7.67,265 4.526,266 3.557,267 4.895,268 2.95,269 13.728,270 3.479,271 4.757,272 3.817,273 7.584,274 4.378,275 3.499,276 4.576,277 0.86,278 13.623,279 3.034,280 4.229,281 3.196,282 6.565,283 3.913,284 2.928,285 3.562,286 0.657,287 10.351,288 2.854,289 3.872,290 2.99,291 5.671,292 3.397,293 2.448,294 3.409,296 7.196,297 6.947}
{0 CHEMBL1935599,1 0.199,2 10.107,3 0.477,4 3.454,5 23.122,6 5.992,7 0.027,8 0.917,9 0.892,10 0.038,11 0.153,12 1.137,13 2.038,14 2.056,15 1.696,16 3.043,17 9.259,18 103.448,19 8.364,20 0.5,21 4.009,22 4.087,23 3.815,24 3.628,25 5.049,26 3.592,27 4.609,28 4.73,29 4.192,30 4.068,31 5.844,32 4.03,33 4.913,34 5.079,35 4.299,36 4.243,37 6.051,38 4.176,39 5.006,40 5.18,41 4.266,42 4.223,43 6.142,44 4.156,45 4.941,46 5.132,47 4.103,48 4.124,49 6.261,50 4.037,51 4.775,52 4.998,53 3.872,54 3.989,55 5.783,56 3.877,57 4.613,58 4.84,59 3.794,60 3.81,61 5.599,62 3.681,63 4.442,64 4.614,65 3.751,66 3.63,67 5.72,68 3.55,69 0.115,70 0.735,71 10.789,72 5.379,73 19.465,74 5.574,75 0.382,76 1.262,77 19.122,78 9.168,79 57.595,80 9.957,81 0.575,82 1.699,83 32.995,84 12.955,85 61.449,86 14.089,87 0.814,88 1.741,89 36.992,90 13.633,91 99.017,92 14.722,93 1.146,94 1.577,95 33.205,96 12.747,97 153.421,98 14.984,99 0.409,100 1.37,101 27.057,102 11.141,103 49.648,104 14.062,105 0.45,106 1.231,107 27.885,108 10.165,109 57.167,110 11.866,111 0.634,112 1.007,113 27.058,114 8.782,115 77.374,116 8.794,117 10,118 49,119 0.285,120 0.622,121 0.764,122 0.84,123 0.847,124 0.847,125 3.376,126 1.019,127 -4.08,128 -4.03,129 -3.81,130 43.8,132 3,136 3,139 1,143 7,144 2,145 3,149 2,158 6,159 1,160 5,164 3,165 9,167 12,169 1,171 1,172 7,175 5,176 1,177 1,178 10,181 3,182 5,184 2,185 8,188 6,191 1,192 7,196 5,200 4,203 6,204 2,206 4,211 2,212 6,214 1044,215 18.918,216 18.918,217 18.918,218 18.918,219 18.918,220 16.863,221 20.552,222 10.75,223 19.483,224 15.774,225 15.774,226 15.774,227 15.774,228 15.774,229 12.499,230 25.939,231 5.022,232 16.7,233 3.889,234 1.882,235 1.034,236 0.583,237 0.542,238 0.542,239 4.085,242 1,243 634,244 3.536,246 42.347,247 266.876,248 168.477,250 1.543,251 46.439,254 1,255 1,256 1,257 0.8,258 0.5,259 0.9,260 62,261 283,262 4.983,263 5.351,264 7.728,265 4.567,266 3.588,267 4.895,268 2.95,269 14.383,270 3.524,271 4.775,272 3.844,273 7.669,274 4.381,275 3.51,276 4.578,277 0.86,278 13.637,279 3.046,280 4.27,281 3.199,282 6.602,283 3.943,284 2.955,285 3.591,286 0.657,287 10.5,288 2.88,289 3.874,290 3.001,291 5.679,292 3.399,293 2.45,294 3.421,296 7.216,297 7.854}
{0 CHEMBL1935600,1 0.201,2 9.519,3 0.476,4 3.398,5 21.449,6 5.81,7 0.022,8 0.893,9 0.865,10 0.041,11 0.158,12 1.198,13 2.037,14 2.056,15 1.725,16 2.981,17 8.883,18 98.582,19 8.61,20 0.516,21 3.955,22 4.027,23 3.789,24 3.58,25 5.015,26 3.549,27 4.551,28 4.663,29 4.171,30 4.022,31 5.815,32 3.991,33 4.832,34 4.989,35 4.257,36 4.168,37 6.017,38 4.106,39 4.915,40 5.08,41 4.226,42 4.121,43 6.099,44 4.072,45 4.793,46 4.961,47 4.033,48 4.01,49 6.188,50 3.939,51 4.646,52 4.863,53 3.784,54 3.87,55 5.701,56 3.765,57 4.496,58 4.713,59 3.735,60 3.696,61 5.515,62 3.579,63 4.293,64 4.447,65 3.695,66 3.504,67 5.627,68 3.442,69 0.126,70 0.694,71 9.638,72 5.006,73 20.301,74 4.989,75 0.407,76 1.192,77 16.998,78 8.501,79 57.898,80 8.876,81 0.592,82 1.583,83 29.497,84 11.923,85 56.502,86 12.563,87 0.91,88 1.569,89 34.083,90 12.512,91 103.349,92 12.764,93 1.007,94 1.391,95 26.855,96 10.902,97 143.471,98 12.088,99 0.418,100 1.217,101 23.425,102 9.758,103 47.097,104 12.066,105 0.461,106 1.112,107 24.975,108 9.078,109 56.886,110 10.21,111 0.61,112 0.891,113 24.423,114 7.698,115 76.702,116 7.232,117 10,118 48,119 0.293,120 0.637,121 0.784,122 0.881,123 0.888,124 0.888,125 3.341,126 1.004,127 -3.86,128 -3.82,129 -3.63,130 44.4,132 2,136 3,139 1,143 7,144 2,145 3,149 2,158 6,159 1,160 4,164 2,165 8,167 11,169 2,171 1,172 6,174 1,175 6,177 1,178 8,181 2,182 6,184 2,185 6,188 6,191 1,192 6,196 4,200 4,203 3,204 2,206 4,208 2,211 2,212 4,214 921,215 18.211,216 18.211,217 18.211,218 18.211,219 18.211,220 16.156,221 19.229,222 10.25,223 18.752,224 15.274,225 15.274,226 15.274,227 15.274,228 15.274,229 11.999,230 23.656,231 4.772,232 16.174,233 3.767,234 1.745,235 0.881,236 0.311,237 0.267,238 0.267,239 4.049,241 1,242 1,243 580,244 3.536,246 93.654,247 192.23,248 162.202,250 1.536,251 45.977,254 1,255 1,256 1,257 0.8,258 0.5,259 0.9,260 60,261 257,262 4.983,263 5.351,264 7.73,265 4.569,266 3.593,267 4.895,268 2.95,269 14.386,270 3.519,271 4.778,272 3.864,273 7.669,274 4.382,275 3.511,276 4.578,277 0.86,278 13.637,279 3.045,280 4.275,281 3.202,282 6.603,283 3.944,284 2.958,285 3.595,286 0.657,287 10.502,288 2.878,289 3.874,290 3.012,291 5.679,292 3.399,293 2.45,294 3.422,296 7.217,297 6.881}
{0 CHEMBL1935601,1 0.199,2 10.107,3 0.477,4 3.454,5 23.122,6 5.992,7 0.027,8 0.917,9 0.892,10 0.038,11 0.153,12 1.213,13 2.038,14 2.056,15 1.696,16 3.561,17 12.677,18 103.226,19 8.364,20 0.5,21 4.009,22 4.087,23 3.815,24 3.628,25 5.049,26 3.592,27 4.609,28 4.73,29 4.192,30 4.068,31 5.842,32 4.03,33 4.913,34 5.079,35 4.308,36 4.236,37 6.064,38 4.171,39 5.012,40 5.187,41 4.268,42 4.197,43 6.155,44 4.138,45 4.887,46 5.066,47 4.098,48 4.091,49 6.236,50 4.017,51 4.763,52 4.98,53 3.866,54 3.986,55 5.783,56 3.877,57 4.632,58 4.859,59 3.797,60 3.827,61 5.603,62 3.694,63 4.435,64 4.609,65 3.756,66 3.64,67 5.698,68 3.559,69 0.115,70 0.735,71 10.789,72 5.379,73 19.465,74 5.574,75 0.382,76 1.262,77 19.122,78 9.168,79 57.925,80 9.957,81 0.578,82 1.696,83 32.845,84 12.974,85 59.581,86 14.191,87 0.933,88 1.711,89 38.31,90 13.67,91 105.956,92 14.582,93 1.02,94 1.521,95 30.473,96 11.853,97 146.08,98 13.607,99 0.437,100 1.352,101 26.613,102 10.928,103 50.248,104 13.616,105 0.452,106 1.252,107 28.256,108 10.357,109 57.803,110 12.136,111 0.619,112 1.01,113 27.309,114 8.78,115 77.021,116 8.951,117 10,118 49,119 0.285,120 0.622,121 0.778,122 0.882,123 0.889,124 0.889,125 3.376,126 1.019,127 -4.08,128 -4.03,129 -3.81,130 43.8,132 3,136 3,139 1,143 7,144 2,145 3,149 2,158 7,159 1,160 4,164 2,165 8,167 12,169 2,171 2,172 6,174 1,175 7,177 1,178 9,181 2,182 6,184 2,185 8,188 6,191 1,192 8,196 4,200 5,203 3,204 2,206 4,208 2,209 2,211 2,212 4,214 1044,215 18.918,216 18.918,217 18.918,218 18.918,219 18.918,220 16.863,221 19.229,222 10.75,223 19.459,224 15.774,225 15.774,226 15.774,227 15.774,228 15.774,229 12.499,230 22.619,231 5.022,232 16.682,233 3.889,234 1.882,235 0.951,236 0.333,237 0.292,238 0.292,239 4.085,242 1,243 634,244 3.536,246 42.347,247 266.876,248 168.477,250 1.543,251 46.667,254 1,255 1,256 1,257 0.8,258 0.5,259 0.9,260 62,261 283,262 4.983,263 5.351,264 7.728,265 4.565,266 3.588,267 4.895,268 2.95,269 14.383,270 3.517,271 4.775,272 3.856,273 7.669,274 4.381,275 3.51,276 4.578,277 0.86,278 13.637,279 3.044,280 4.27,281 3.201,282 6.602,283 3.941,284 2.955,285 3.591,286 0.657,287 10.5,288 2.877,289 3.874,290 3.007,291 5.679,292 3.399,293 2.45,294 3.421,296 7.216,297 7.595}
{0 CHEMBL1949760,1 0.201,2 8.609,3 0.479,4 3.227,5 15.955,6 5.185,7 0.039,8 0.947,9 0.946,10 0.048,11 0.188,12 1.161,13 2.022,14 2.043,15 1.741,16 2.736,17 7.484,18 84.713,19 8.549,20 0.462,21 3.799,22 3.877,23 3.648,24 3.441,25 4.854,26 3.395,27 4.388,28 4.506,29 4,30 3.87,31 5.674,32 3.82,33 4.698,34 4.87,35 4.129,36 4.012,37 5.869,38 3.934,39 4.73,40 4.907,41 4.013,42 3.9,43 6.184,44 3.837,45 4.507,46 4.693,47 3.719,48 3.702,49 5.813,50 3.622,51 4.313,52 4.517,53 3.538,54 3.549,55 5.439,56 3.45,57 4.174,58 4.362,59 3.456,60 3.366,61 5.397,62 3.274,63 4.03,64 4.182,65 3.24,66 3.188,67 5.363,68 3.153,69 0.102,70 0.618,71 8.84,72 4.401,73 19.606,74 4.46,75 0.304,76 1.049,77 14.622,78 7.386,79 52.191,80 7.925,81 0.493,82 1.415,83 28.446,84 11.065,85 56.934,86 11.706,87 0.86,88 1.375,89 29.739,90 10.704,91 144.758,92 11.124,93 0.638,94 1.053,95 21.781,96 8.371,97 79.815,98 9.315,99 0.327,100 0.963,101 18.967,102 7.31,103 53.867,104 8.17,105 0.474,106 0.794,107 20.043,108 6.55,109 64.258,110 6.819,111 0.431,112 0.656,113 14.83,114 5.013,115 68.139,116 4.875,117 10,118 39,119 0.308,120 0.622,121 0.775,122 0.882,123 0.9,124 0.9,125 3.19,126 1.046,127 -4.3,128 -4.24,129 -4,130 43.6,132 1,133 1,136 2,137 1,143 7,144 1,145 4,158 7,159 1,160 3,164 1,165 7,167 8,169 1,171 1,172 5,175 7,177 1,178 4,181 2,182 4,184 2,185 5,188 3,191 1,192 5,196 4,200 4,203 1,204 2,206 4,211 1,212 3,214 630,215 15.479,216 15.479,217 15.479,218 15.479,219 15.479,220 13.789,221 17.928,222 8.895,223 15.984,224 12.829,225 12.829,226 12.829,227 12.829,228 12.829,229 10.217,230 21.279,231 4.186,232 13.726,233 3.545,234 1.777,235 0.914,236 0.308,237 0.205,238 0.205,239 3.885,241 1,242 1,243 440,244 3.082,246 35.132,247 163.286,248 138.615,250 1.365,251 40.717,253 1,254 1,255 1,256 1,257 0.8,258 0.5,259 0.9,260 51,261 198,262 4.998,263 5.36,264 7.721,265 4.42,266 3.55,267 4.895,268 2.95,269 13.884,270 3.131,271 4.4,272 3.526,273 6.753,274 4.148,275 3.186,276 3.93,277 0.86,278 11.084,279 2.985,280 3.91,281 3.265,282 5.969,283 3.461,284 2.514,285 3.453,286 0.4,287 7.944,288 2.367,289 3.493,290 2.542,291 5.556,292 3.181,293 2.221,294 2.681,296 6.985,297 6.839}
{0 CHEMBL1949761,1 0.201,2 8.609,3 0.498,4 3.227,5 15.955,6 5.185,7 0.057,8 0.874,9 0.901,10 0.048,11 0.188,12 1.247,13 2.023,14 2.045,15 1.741,16 3.195,17 10.205,18 89.302,19 8.971,20 0.462,21 3.795,22 3.869,23 3.683,24 3.47,25 4.802,26 3.41,27 4.384,28 4.498,29 4.049,30 3.907,31 5.624,32 3.84,33 4.691,34 4.858,35 4.229,36 4.077,37 5.802,38 3.963,39 4.719,40 4.886,41 4.126,42 3.966,43 6.012,44 3.874,45 4.501,46 4.681,47 3.786,48 3.755,49 5.754,50 3.649,51 4.304,52 4.498,53 3.621,54 3.619,55 5.338,56 3.485,57 4.165,58 4.345,59 3.555,60 3.422,61 5.282,62 3.307,63 4.023,64 4.17,65 3.342,66 3.261,67 5.313,68 3.19,69 0.087,70 0.532,71 8.174,72 4.183,73 16.246,74 4.393,75 0.263,76 0.918,77 13.894,78 7.136,79 46.876,80 7.915,81 0.407,82 1.212,83 31.809,84 11.292,85 44.636,86 12.18,87 0.652,88 1.169,89 33.158,90 11.145,91 91.301,92 11.614,93 0.572,94 0.942,95 22.873,96 8.61,97 70.712,98 9.644,99 0.25,100 0.813,101 21.108,102 7.551,103 39.915,104 8.698,105 0.366,106 0.7,107 22.013,108 6.869,109 46.954,110 7.094,111 0.398,112 0.579,113 15.215,114 5.208,115 57.793,116 5.03,117 10,118 39,119 0.308,120 0.622,121 0.775,122 0.882,123 0.9,124 0.9,125 3.19,126 1.09,127 -4.42,128 -4.35,129 -4.1,130 43.6,132 1,133 1,136 2,137 1,143 7,144 1,145 4,158 7,159 1,160 3,164 1,165 8,167 8,169 1,171 1,172 7,175 9,177 1,178 5,181 2,182 4,184 2,185 7,188 3,191 1,192 6,196 5,200 5,203 1,204 2,206 5,211 1,212 4,214 630,215 15.479,216 15.479,217 15.479,218 15.479,219 15.479,220 13.789,221 17.912,222 8.895,223 16.047,224 12.829,225 12.829,226 12.829,227 12.829,228 12.829,229 10.217,230 21.268,231 4.186,232 13.86,233 3.545,234 1.777,235 0.914,236 0.308,237 0.205,238 0.205,239 3.885,240 1,241 1,242 1,243 440,244 3.082,246 35.132,247 163.286,248 138.615,250 1.365,251 33.68,253 1,254 1,255 1,256 1,257 0.8,258 0.5,259 0.9,260 49.833,261 198,262 4.998,263 5.36,264 7.721,265 4.417,266 3.55,267 4.895,268 2.95,269 13.884,270 3.128,271 4.4,272 3.526,273 6.753,274 4.147,275 3.186,276 3.93,277 0.86,278 11.084,279 2.968,280 3.91,281 3.272,282 5.969,283 3.44,284 2.514,285 3.453,286 0.4,287 7.944,288 2.312,289 3.493,290 2.557,291 5.556,292 3.172,293 2.221,294 2.681,296 6.985,297 6.686}
{0 CHEMBL1949762,1 0.205,2 10.071,3 0.49,4 3.45,5 23.398,6 5.973,7 0.089,8 0.943,9 0.949,10 0.057,11 0.153,12 1.347,13 2.058,14 2.072,15 1.512,16 4.049,17 16.391,18 109.633,19 7.99,20 0.563,21 4.006,22 4.091,23 3.789,24 3.684,25 5.013,26 3.624,27 4.575,28 4.697,29 4.131,30 4.112,31 5.758,32 4.042,33 4.881,34 5.059,35 4.24,36 4.279,37 5.929,38 4.171,39 4.922,40 5.099,41 4.219,42 4.245,43 6.055,44 4.141,45 4.84,46 5.012,47 4.134,48 4.171,49 6.077,50 4.066,51 4.768,52 4.957,53 3.98,54 4.084,55 5.885,56 3.965,57 4.657,58 4.851,59 3.811,60 3.918,61 5.765,62 3.803,63 4.517,64 4.7,65 3.604,66 3.749,67 5.687,68 3.662,69 0.06,70 0.643,71 11.669,72 5.225,73 14.885,74 5.903,75 0.174,76 1.113,77 18.988,78 8.796,79 43.818,80 10.367,81 0.241,82 1.517,83 32.443,84 13.237,85 39.88,86 15.471,87 0.309,88 1.541,89 35.045,90 13.659,91 60.963,92 15.366,93 0.464,94 1.406,95 31.683,96 12.537,97 75.764,98 14.266,99 0.215,100 1.345,101 30.288,102 11.881,103 58.792,104 13.747,105 0.283,106 1.19,107 29.403,108 10.694,109 59.589,110 12.059,111 0.391,112 0.999,113 22.956,114 8.504,115 65.171,116 9.631,117 5,118 47,119 0.252,120 0.534,121 0.686,122 0.823,123 0.872,124 0.881,125 3.376,126 1.035,127 -5.05,128 -4.95,129 -4.63,130 46.9,132 1,133 1,136 2,137 1,143 12,144 3,145 3,158 15,159 1,160 3,164 1,165 18,167 10,169 1,171 1,172 15,175 9,177 1,178 14,181 2,182 8,184 2,185 15,188 8,191 1,192 15,196 7,200 13,203 3,204 2,206 12,209 2,211 2,212 9,214 1164,215 19.256,216 19.256,217 19.256,218 19.256,219 19.256,220 16.929,221 17.223,222 11.299,223 19.707,224 15.833,225 15.833,226 15.833,227 15.833,228 15.833,229 12.292,230 21.02,231 5.355,232 16.611,233 4.103,234 2.409,235 1.498,236 0.676,237 0.383,238 0.327,239 4.088,242 1,243 637,244 3.162,246 45.24,247 279.12,248 175.983,250 1.51,251 32.727,254 1,255 1,256 1,257 0.8,258 0.5,259 0.9,260 59.5,261 282,262 5.007,263 5.358,264 7.735,265 4.444,266 3.565,267 4.905,268 2.95,269 13.982,270 3.155,271 4.408,272 3.524,273 6.755,274 4.155,275 3.19,276 3.969,277 0.86,278 11.089,279 3.063,280 4.195,281 3.218,282 6.381,283 3.794,284 2.815,285 3.775,286 0.4,287 9.581,288 2.709,289 3.614,290 2.624,291 5.63,292 3.27,293 2.299,294 3.082,296 7.264,297 6.866}
{0 CHEMBL1949763,1 0.192,2 8.652,3 0.479,4 3.257,5 16.431,6 5.27,7 0.039,8 0.947,9 0.946,10 0.048,11 0.187,12 1.138,13 2.023,14 2.044,15 1.741,16 2.736,17 7.484,18 84.713,19 8.549,20 0.462,21 3.799,22 3.877,23 3.648,24 3.441,25 4.853,26 3.395,27 4.388,28 4.506,29 4,30 3.87,31 5.683,32 3.82,33 4.698,34 4.871,35 4.065,36 4.013,37 5.879,38 3.927,39 4.713,40 4.897,41 3.984,42 3.901,43 5.915,44 3.825,45 4.516,46 4.697,47 3.777,48 3.702,49 6.033,50 3.627,51 4.3,52 4.508,53 3.531,54 3.55,55 5.387,56 3.443,57 4.179,58 4.367,59 3.444,60 3.364,61 5.376,62 3.282,63 4.041,64 4.189,65 3.264,66 3.188,67 5.475,68 3.152,69 0.102,70 0.618,71 8.84,72 4.401,73 19.584,74 4.46,75 0.304,76 1.049,77 14.622,78 7.386,79 51.426,80 7.925,81 0.5,82 1.377,83 28.123,84 11.025,85 55.73,86 11.752,87 0.625,88 1.313,89 29.691,90 10.695,91 92.68,92 11.244,93 0.852,94 1.072,95 22.012,96 8.382,97 132.61,98 9.405,99 0.272,100 0.904,101 18.663,102 7.271,103 43.589,104 8.478,105 0.398,106 0.835,107 20.114,108 6.573,109 61.428,110 6.556,111 0.562,112 0.675,113 15.062,114 5.029,115 76.169,116 4.83,117 10,118 39,119 0.308,120 0.622,121 0.775,122 0.891,123 0.9,124 0.9,125 3.19,126 1.045,127 -4.3,128 -4.24,129 -4,130 43.6,132 1,133 1,136 2,137 1,143 7,144 1,145 4,158 6,159 1,160 3,164 1,165 8,167 10,169 1,171 1,172 5,175 5,177 1,178 6,181 2,182 4,184 2,185 4,188 4,191 1,192 5,196 3,200 4,203 1,204 2,206 4,211 2,212 2,214 639,215 15.427,216 15.427,217 15.427,218 15.427,219 15.427,220 13.764,221 18.851,222 8.849,223 15.952,224 12.841,225 12.841,226 12.841,227 12.841,228 12.841,229 10.235,230 22.156,231 4.189,232 13.754,233 3.545,234 1.777,235 0.914,236 0.256,237 0.205,238 0.205,239 3.885,241 1,242 1,243 442,244 3.082,246 35.539,247 164.391,248 140.21,250 1.406,251 39.715,253 1,254 1,255 1,256 1,257 0.8,258 0.5,259 0.9,260 51,261 199,262 4.977,263 5.351,264 7.67,265 4.394,266 3.524,267 4.872,268 2.95,269 13.638,270 3.127,271 4.396,272 3.521,273 6.752,274 4.143,275 3.182,276 3.919,277 0.86,278 11.079,279 2.958,280 3.878,281 3.141,282 5.719,283 3.425,284 2.472,285 3.432,286 0.4,287 7.454,288 2.343,289 3.522,290 2.779,291 5.476,292 3.215,293 2.257,294 2.731,296 6.726,297 7.284}
{0 CHEMBL1949764,1 0.192,2 8.652,3 0.498,4 3.257,5 16.431,6 5.27,7 0.057,8 0.874,9 0.901,10 0.048,11 0.187,12 1.299,13 2.024,14 2.045,15 1.741,16 3.195,17 10.205,18 89.302,19 8.971,20 0.462,21 3.795,22 3.869,23 3.683,24 3.47,25 4.801,26 3.41,27 4.384,28 4.498,29 4.049,30 3.907,31 5.628,32 3.84,33 4.691,34 4.857,35 4.115,36 4.058,37 5.815,38 3.949,39 4.708,40 4.888,41 4.075,42 3.956,43 5.873,44 3.848,45 4.506,46 4.68,47 3.889,48 3.753,49 5.864,50 3.658,51 4.295,52 4.499,53 3.608,54 3.602,55 5.314,56 3.471,57 4.168,58 4.344,59 3.534,60 3.448,61 5.268,62 3.324,63 4.03,64 4.168,65 3.383,66 3.256,67 5.369,68 3.189,69 0.087,70 0.532,71 8.174,72 4.183,73 16.244,74 4.393,75 0.263,76 0.918,77 13.894,78 7.136,79 46.957,80 7.915,81 0.409,82 1.218,83 29.865,84 11.182,85 44.958,86 12.18,87 0.535,88 1.181,89 32.907,90 11.105,91 75.192,92 11.614,93 0.682,94 0.937,95 24.288,96 8.655,97 85.945,98 9.644,99 0.225,100 0.824,101 19.064,102 7.427,103 37.608,104 8.698,105 0.326,106 0.694,107 22.523,108 6.935,109 45.836,110 7.095,111 0.464,112 0.574,113 16.749,114 5.267,115 60.385,116 5.03,117 10,118 39,119 0.308,120 0.622,121 0.775,122 0.891,123 0.9,124 0.9,125 3.19,126 1.089,127 -4.42,128 -4.35,129 -4.1,130 43.6,132 1,133 1,136 2,137 1,143 7,144 1,145 4,158 6,159 1,160 3,164 1,165 10,167 10,169 1,171 1,172 6,175 5,177 1,178 7,181 2,182 6,184 2,185 4,188 4,191 1,192 7,196 3,200 5,203 2,204 2,206 5,211 2,212 3,214 639,215 15.427,216 15.427,217 15.427,218 15.427,219 15.427,220 13.764,221 18.824,222 8.849,223 16.026,224 12.841,225 12.841,226 12.841,227 12.841,228 12.841,229 10.235,230 22.128,231 4.189,232 13.901,233 3.545,234 1.777,235 0.914,236 0.256,237 0.205,238 0.205,239 3.885,240 1,241 1,242 1,243 442,244 3.082,246 35.539,247 164.391,248 140.21,250 1.406,251 33.237,253 1,254 1,255 1,256 1,257 0.8,258 0.5,259 0.9,260 49.833,261 199,262 4.977,263 5.351,264 7.67,265 4.393,266 3.524,267 4.872,268 2.95,269 13.638,270 3.126,271 4.396,272 3.521,273 6.752,274 4.143,275 3.182,276 3.919,277 0.86,278 11.079,279 2.955,280 3.878,281 3.145,282 5.719,283 3.402,284 2.472,285 3.432,286 0.4,287 7.454,288 2.294,289 3.522,290 2.799,291 5.476,292 3.202,293 2.257,294 2.731,296 6.726,297 7.398}
{0 CHEMBL1949765,1 0.192,2 8.652,3 0.488,4 3.257,5 16.431,6 5.27,7 0.086,8 0.909,9 0.908,10 0.044,11 0.187,12 1.343,13 2.033,14 2.051,15 1.57,16 3.016,17 9.099,18 89.538,19 7.844,20 0.462,21 3.851,22 3.939,23 3.639,24 3.498,25 4.821,26 3.433,27 4.444,28 4.58,29 3.983,30 3.929,31 5.627,32 3.857,33 4.732,34 4.907,35 4.052,36 4.086,37 5.815,38 3.974,39 4.796,40 4.999,41 3.953,42 4.001,43 5.898,44 3.885,45 4.584,46 4.774,47 3.749,48 3.819,49 5.795,50 3.701,51 4.452,52 4.667,53 3.525,54 3.658,55 5.5,56 3.53,57 4.237,58 4.426,59 3.419,60 3.498,61 5.268,62 3.371,63 4.195,64 4.383,65 3.23,66 3.355,67 5.388,68 3.261,69 0.063,70 0.585,71 10.977,72 4.736,73 14.112,74 5.339,75 0.2,76 1.005,77 18.202,78 8.002,79 43.483,80 9.483,81 0.254,82 1.312,83 29.563,84 11.528,85 40.683,86 13.341,87 0.386,88 1.319,89 32.224,90 11.687,91 65.011,92 13.578,93 0.447,94 1.075,95 26.679,96 9.739,97 63.141,98 11.311,99 0.265,100 0.948,101 22.651,102 8.21,103 54.767,104 9.785,105 0.212,106 0.782,107 20.417,108 7.025,109 35.667,110 7.943,111 0.338,112 0.708,113 17.84,114 6.087,115 53.063,116 6.973,117 10,118 39,119 0.274,120 0.587,121 0.765,122 0.872,123 0.888,124 0.888,125 3.19,126 1.081,127 -4.15,128 -4.1,129 -3.87,130 42.9,131 1,132 1,133 1,136 2,137 1,143 7,144 2,145 3,158 9,159 1,160 3,164 1,165 11,167 10,169 1,171 1,172 7,175 7,177 1,178 7,181 2,182 6,184 2,185 6,188 4,191 1,192 8,196 4,200 6,203 2,204 2,206 6,211 2,212 4,214 639,215 15.427,216 15.427,217 15.427,218 15.427,219 15.427,220 13.764,221 19.648,222 8.849,223 15.89,224 12.841,225 12.841,226 12.841,227 12.841,228 12.841,229 10.235,230 23.197,231 4.189,232 13.632,233 3.822,234 2.032,235 1.01,236 0.399,237 0.304,238 0.304,239 3.885,241 1,242 1,243 442,244 3.082,246 35.539,247 164.391,248 140.21,250 1.406,251 29.938,252 1,253 1,254 1,255 1,256 1,257 0.8,258 0.5,259 0.9,260 49.5,261 199,262 4.977,263 5.351,264 7.67,265 4.394,266 3.524,267 4.872,268 2.95,269 13.638,270 3.127,271 4.396,272 3.521,273 6.752,274 4.143,275 3.182,276 3.919,277 0.86,278 11.079,279 2.963,280 3.878,281 3.111,282 5.719,283 3.457,284 2.472,285 3.432,286 0.4,287 7.454,288 2.426,289 3.522,290 2.487,291 5.476,292 3.229,293 2.257,294 2.731,296 6.726,297 6.614}
{0 CHEMBL1949768,1 0.187,2 10.077,3 0.483,4 3.471,5 22.337,6 6.002,7 0.063,8 0.962,9 0.927,10 0.077,11 0.168,12 1.21,13 2.024,14 2.045,15 1.564,16 3.24,17 10.498,18 100.126,19 7.623,20 0.414,21 3.997,22 4.088,23 3.739,24 3.597,25 4.969,26 3.539,27 4.595,28 4.738,29 4.087,30 4.011,31 5.76,32 3.949,33 4.887,34 5.068,35 4.144,36 4.163,37 5.952,38 4.066,39 4.901,40 5.1,41 4.089,42 4.11,43 5.99,44 4.012,45 4.759,46 4.94,47 3.952,48 4.008,49 5.99,50 3.894,51 4.69,52 4.918,53 3.836,54 3.93,55 5.622,56 3.776,57 4.579,58 4.76,59 3.749,60 3.776,61 5.713,62 3.658,63 4.524,64 4.693,65 3.52,66 3.618,67 5.825,68 3.551,69 0.07,70 0.683,71 12.988,72 5.559,73 15.385,74 6.362,75 0.248,76 1.15,77 22.22,78 9.293,79 49.213,80 11.07,81 0.457,82 1.463,83 35.477,84 12.829,85 53.491,86 14.836,87 0.463,88 1.441,89 35.954,90 12.619,91 67.711,92 15.096,93 0.674,94 1.256,95 28.569,96 10.958,97 81.344,98 13.461,99 0.21,100 1.225,101 29.834,102 11.102,103 43.9,104 13.65,105 0.365,106 1.07,107 32.882,108 10.192,109 57.846,110 10.916,111 0.714,112 0.912,113 24.649,114 7.651,115 99.666,116 8.561,117 19,118 43,119 0.265,120 0.564,121 0.746,122 0.842,123 0.862,124 0.862,125 3.305,126 1.082,127 -4.09,128 -4.04,129 -3.82,130 40.8,131 2,132 1,133 1,136 2,137 2,143 7,144 1,145 4,158 6,159 1,160 7,164 1,165 9,167 11,169 1,171 1,172 5,175 6,177 1,178 10,181 4,182 4,184 2,185 6,188 6,191 1,192 7,196 8,200 4,202 1,203 2,204 2,206 8,209 1,211 2,212 4,214 954,215 17.289,216 17.289,217 17.289,218 17.289,219 17.289,220 15.679,221 23.693,222 10.001,223 17.909,224 14.341,225 14.341,226 14.341,227 14.341,228 14.341,229 11.763,230 29.788,231 4.751,232 15.383,233 4.051,234 2.284,235 1.207,236 0.643,237 0.521,238 0.521,239 3.999,241 1,242 1,243 574,244 3.674,246 43.402,247 197.438,248 169.625,250 1.627,251 35.174,253 1,254 1,255 1,256 1,257 0.8,258 0.5,259 0.9,260 56.5,261 262,262 4.977,263 5.351,264 7.67,265 4.394,266 3.524,267 4.872,268 2.95,269 13.64,270 3.127,271 4.397,272 3.521,273 6.752,274 4.143,275 3.183,276 3.92,277 0.86,278 11.079,279 2.961,280 3.943,281 3.148,282 5.743,283 3.537,284 2.603,285 3.475,286 0.86,287 7.678,288 2.427,289 3.541,290 2.914,291 5.531,292 3.263,293 2.304,294 2.75,295 0.4,296 7.174,297 6.807}
{0 CHEMBL1949772,1 0.187,2 9.217,3 0.488,4 3.301,5 17.009,6 5.366,7 0.086,8 0.909,9 0.908,10 0.044,11 0.187,12 1.349,13 2.032,14 2.05,15 1.57,16 3.016,17 9.099,18 89.538,19 7.844,20 0.462,21 3.851,22 3.939,23 3.639,24 3.498,25 4.821,26 3.433,27 4.444,28 4.58,29 3.983,30 3.929,31 5.626,32 3.857,33 4.732,34 4.907,35 4.052,36 4.086,37 5.817,38 3.974,39 4.796,40 4.998,41 3.906,42 3.987,43 5.914,44 3.871,45 4.578,46 4.789,47 3.709,48 3.778,49 5.731,50 3.654,51 4.33,52 4.529,53 3.561,54 3.638,55 5.345,56 3.504,57 4.301,58 4.491,59 3.428,60 3.481,61 5.428,62 3.369,63 4.112,64 4.264,65 3.22,66 3.345,67 5.357,68 3.261,69 0.063,70 0.585,71 10.977,72 4.736,73 14.112,74 5.339,75 0.2,76 1.005,77 18.202,78 8.002,79 43.413,80 9.483,81 0.254,82 1.312,83 29.563,84 11.528,85 40.669,86 13.341,87 0.387,88 1.317,89 32.546,90 11.683,91 68.515,92 13.583,93 0.482,94 1.042,95 24.264,96 9.137,97 63.967,98 11.137,99 0.11,100 0.892,101 21.988,102 8.097,103 28.881,104 9.409,105 0.337,106 0.8,107 22.396,108 7.162,109 57.417,110 7.717,111 0.331,112 0.658,113 15.845,114 5.525,115 50.52,116 6.081,117 10,118 39,119 0.274,120 0.587,121 0.742,122 0.821,123 0.844,124 0.855,125 3.189,126 1.081,127 -4.15,128 -4.1,129 -3.87,130 42.9,131 1,132 1,133 1,136 2,137 1,143 7,144 2,145 3,158 9,159 1,160 3,164 1,165 11,167 10,169 1,171 1,172 8,175 7,177 1,178 6,181 2,182 4,184 2,185 6,188 6,191 1,192 6,196 4,200 7,203 1,204 2,206 6,209 1,211 2,212 4,214 648,215 15.427,216 15.427,217 15.427,218 15.427,219 15.427,220 13.764,221 19.648,222 8.81,223 15.89,224 12.824,225 12.824,226 12.824,227 12.824,228 12.824,229 10.229,230 22.491,231 4.167,232 13.619,233 3.822,234 2.032,235 1.141,236 0.691,237 0.56,238 0.494,239 3.885,241 1,242 1,243 472,244 3.082,246 35.997,247 165.677,248 142.045,250 1.463,251 29.763,252 1,253 1,254 1,255 1,256 1,257 0.8,258 0.5,259 0.9,260 49.5,261 212,262 4.975,263 5.351,264 7.668,265 4.391,266 3.521,267 4.869,268 2.95,269 13.628,270 3.126,271 4.396,272 3.521,273 6.752,274 4.142,275 3.182,276 3.917,277 0.86,278 11.079,279 2.957,280 3.869,281 3.099,282 5.701,283 3.447,284 2.46,285 3.426,286 0.4,287 7.394,288 2.423,289 3.536,290 2.519,291 5.45,292 3.244,293 2.271,294 2.759,296 6.539,297 6.627}
{0 CHEMBL1949773,1 0.194,2 8.75,3 0.471,4 3.29,5 17.646,6 5.41,7 0.019,8 0.947,9 0.934,10 0.048,11 0.181,12 0.894,13 2.021,14 2.043,15 1.828,16 2.941,17 8.651,18 84.93,19 9.01,20 0.444,21 3.81,22 3.884,23 3.686,24 3.439,25 4.928,26 3.408,27 4.401,28 4.514,29 4.053,30 3.867,31 5.768,32 3.837,33 4.716,34 4.882,35 4.119,36 4.01,37 5.969,38 3.946,39 4.73,40 4.906,41 4.12,42 3.897,43 6.09,44 3.848,45 4.541,46 4.711,47 3.898,48 3.699,49 6.277,50 3.654,51 4.314,52 4.515,53 3.615,54 3.547,55 5.5,56 3.467,57 4.209,58 4.386,59 3.543,60 3.358,61 5.536,62 3.318,63 4.07,64 4.206,65 3.393,66 3.184,67 5.638,68 3.184,69 0.153,70 0.697,71 7.775,72 4.438,73 28.304,74 4.171,75 0.43,76 1.172,77 13.152,78 7.446,79 63.304,80 7.453,81 0.751,82 1.513,83 27.589,84 11.102,85 89.862,86 11.068,87 0.97,88 1.547,89 29.452,90 10.782,91 156.391,92 10.819,93 1.195,94 1.176,95 21.721,96 8.441,97 197.881,98 9.029,99 0.416,100 0.984,101 18.426,102 7.304,103 58.962,104 8.205,105 0.591,106 0.956,107 20.308,108 6.637,109 92.053,110 5.968,111 0.765,112 0.755,113 14.905,114 5.073,115 101.992,116 4.449,117 17,118 41,119 0.324,120 0.641,121 0.775,122 0.864,123 0.864,124 0.864,125 3.23,126 1.018,127 -4.42,128 -4.35,129 -4.1,130 43.6,132 1,133 1,136 2,137 1,143 6,144 1,145 5,158 4,159 1,160 3,164 1,165 8,167 10,169 1,171 1,172 4,175 3,177 1,178 6,181 2,182 4,184 2,185 2,188 4,191 1,192 4,196 2,200 3,203 1,204 2,206 3,211 2,212 1,214 726,215 15.875,216 15.875,217 15.875,218 15.875,219 15.875,220 14.187,221 20.478,222 9.03,223 16.462,224 13.341,225 13.341,226 13.341,227 13.341,228 13.341,229 10.652,230 23.955,231 4.298,232 14.365,233 3.458,234 1.667,235 0.911,236 0.41,237 0.41,238 0.41,239 3.922,241 1,242 1,243 463,244 3.162,246 37.931,247 174.393,248 149.208,250 1.438,251 50.245,253 1,254 1,255 1,256 1,257 0.8,258 0.5,259 0.9,260 54.5,261 210,262 4.98,263 5.352,264 7.672,265 4.398,266 3.528,267 4.876,268 2.95,269 13.651,270 3.128,271 4.398,272 3.522,273 6.752,274 4.144,275 3.183,276 3.928,277 0.86,278 11.08,279 2.967,280 4.021,281 3.212,282 5.763,283 3.554,284 2.612,285 3.615,286 0.4,287 7.689,288 2.441,289 3.532,290 2.864,291 5.529,292 3.241,293 2.278,294 2.741,296 7.076,297 5.661}
{0 CHEMBL1949930,1 0.188,2 10.179,3 0.479,4 3.497,5 25.128,6 6.161,7 0.042,8 0.908,9 0.865,10 0.089,11 0.157,12 1.016,13 2.022,14 2.045,15 1.578,16 3.224,17 10.392,18 106.59,19 7.614,20 0.387,21 4.077,22 4.166,23 3.804,24 3.641,25 5.072,26 3.594,27 4.675,28 4.82,29 4.15,30 4.048,31 5.836,32 4,33 4.934,34 5.103,35 4.219,36 4.214,37 6.013,38 4.131,39 4.979,40 5.169,41 4.228,42 4.193,43 6.069,44 4.105,45 4.892,46 5.069,47 4.151,48 4.119,49 6.154,50 4.019,51 4.836,52 5.035,53 4.051,54 4.061,55 5.859,56 3.943,57 4.802,58 4.959,59 3.934,60 3.954,61 5.996,62 3.867,63 4.762,64 4.939,65 3.701,66 3.859,67 6,68 3.766,69 0.086,70 0.736,71 13.927,72 5.989,73 16.45,74 6.807,75 0.36,76 1.217,77 24.55,78 9.853,79 55.041,80 11.617,81 0.545,82 1.52,83 36.635,84 13.212,85 54.692,86 15.208,87 0.617,88 1.546,89 38.303,90 13.395,91 70.182,92 16.235,93 0.918,94 1.41,95 33.14,96 12.396,97 97.943,98 15.153,99 0.361,100 1.385,101 36.231,102 12.657,103 54.673,104 14.741,105 0.686,106 1.26,107 38.795,108 11.544,109 88.998,110 12.053,111 0.87,112 1.162,113 30.094,114 9.86,115 109.132,116 11.79,117 31,118 46,119 0.263,120 0.56,121 0.758,122 0.838,123 0.853,124 0.859,125 3.375,126 1.063,127 -3.54,128 -3.52,129 -3.36,130 39.6,131 2,132 1,133 1,135 1,136 2,137 2,143 6,144 1,145 5,158 4,159 1,160 9,164 1,165 9,167 10,169 1,171 1,172 4,174 1,175 5,177 1,178 10,181 6,182 4,184 2,185 2,188 10,191 1,192 6,196 8,200 3,202 2,203 3,204 2,206 7,209 2,211 2,212 3,214 1198,215 18.607,216 18.607,217 18.607,218 18.607,219 18.607,220 17.024,221 28.006,222 10.694,223 19.406,224 15.268,225 15.268,226 15.268,227 15.268,228 15.268,229 12.602,230 36.229,231 5.023,232 16.491,233 4.15,234 2.37,235 1.18,236 0.698,237 0.609,238 0.571,239 4.067,242 1,243 618,244 3.873,246 48.33,247 218.1,248 188.128,250 1.62,251 39.728,254 1,255 1,256 1,257 1,258 0.5,259 0.93,260 61.5,261 285,262 4.981,263 5.352,264 7.672,265 4.4,266 3.529,267 4.877,268 2.95,269 13.653,270 3.128,271 4.399,272 3.522,273 6.752,274 4.145,275 3.184,276 3.931,277 0.86,278 11.08,279 2.974,280 4.081,281 3.201,282 5.832,283 3.654,284 2.715,285 3.658,286 0.86,287 8.166,288 2.534,289 3.542,290 2.922,291 5.589,292 3.263,293 2.308,294 2.751,295 0.86,296 7.245,297 7.415}
{0 CHEMBL222301,1 0.183,2 11.607,3 0.479,4 3.635,5 26.796,6 6.71,7 -0.02,8 0.952,9 0.946,10 0.1,11 0.133,12 1.289,13 1.957,14 1.928,15 1.347,16 3.358,17 11.278,18 110.803,19 6.659,20 0.387,21 4.118,22 4.234,23 3.592,24 3.677,25 5.116,26 3.63,27 4.685,28 4.864,29 3.943,30 4.084,31 5.63,32 4.012,33 4.986,34 5.182,35 4.082,36 4.287,37 5.937,38 4.191,39 5.169,40 5.401,41 4.003,42 4.321,43 6.11,44 4.187,45 5.165,46 5.426,47 3.913,48 4.269,49 6.011,50 4.111,51 5.061,52 5.332,53 3.793,54 4.15,55 5.855,56 3.993,57 4.956,58 5.216,59 3.71,60 4.04,61 5.818,62 3.898,63 4.865,64 5.114,65 3.536,66 3.959,67 5.745,68 3.802,69 0.049,70 0.76,71 13.203,72 5.936,73 11.557,74 7.894,75 0.285,76 1.274,77 24.397,78 9.696,79 30.843,80 13.321,81 0.226,82 1.656,83 33.155,84 13.158,85 37.939,86 18.015,87 0.476,88 1.856,89 41.035,90 15.268,91 73.793,92 20.999,93 0.47,94 1.841,95 40.857,96 15.209,97 62.549,98 21.503,99 0.328,100 1.671,101 36.76,102 13.445,103 46.295,104 19.259,105 0.355,106 1.486,107 33.378,108 11.824,109 48.527,110 16.674,111 0.388,112 1.316,113 30.585,114 11.174,115 57.258,116 15.3,117 19,118 46,119 0.222,120 0.522,121 0.692,122 0.783,123 0.818,124 0.818,125 3.375,126 0.981,127 -4.75,128 -4.67,129 -4.39,130 42.1,131 1,132 3,133 1,134 1,135 1,136 3,139 1,143 9,144 3,150 1,158 17,159 1,160 5,164 3,165 21,167 8,171 2,172 18,175 6,176 1,177 2,178 12,181 2,182 8,184 1,185 9,188 6,191 1,192 5,196 8,199 2,200 8,203 1,205 1,206 11,209 2,210 2,211 2,212 11,214 1180,215 18.865,216 18.865,217 18.865,218 18.865,219 18.865,220 17.299,221 25.096,222 10.778,223 19.164,224 15.158,225 15.158,226 15.158,227 15.158,228 15.158,229 12.853,230 34.474,231 4.931,232 15.517,233 4.486,234 2.667,235 1.637,236 1.084,237 0.869,238 0.869,239 4.059,242 1,243 705,244 3.674,245 56.968,247 303.936,250 1.663,251 26.176,254 1,255 1,256 1,257 1,258 1,259 1,260 59.5,261 325,262 4.901,263 4.312,264 8.311,265 4.829,266 3.83,267 4.12,268 2.491,269 16.522,270 3.823,271 4.529,272 3.8,273 7.471,274 4.408,275 3.44,276 3.818,277 0.8,278 13.186,279 3.322,280 3.877,281 3.158,282 5.671,283 3.487,284 2.506,285 3.383,286 0.765,287 7.373,288 2.476,289 3.564,290 2.776,291 5.454,292 3.365,293 2.414,294 2.818,295 0.473,296 6.662,297 5}
{0 CHEMBL313714,1 0.182,2 15.647,3 0.471,4 4.106,5 41.796,6 9.135,7 -0.017,8 1.043,9 1.024,10 0.13,11 0.119,12 0.738,13 1.961,14 1.936,15 1.541,16 2.974,17 8.845,18 133.836,19 7.117,20 0.553,21 4.275,22 4.41,23 3.805,24 3.784,25 5.325,26 3.761,27 4.838,28 5.027,29 4.145,30 4.212,31 5.812,32 4.158,33 5.136,34 5.378,35 4.149,36 4.369,37 6.028,38 4.261,39 5.222,40 5.484,41 4.077,42 4.393,43 6.05,44 4.251,45 5.248,46 5.53,47 4.037,48 4.355,49 6.02,50 4.201,51 5.196,52 5.472,53 4.024,54 4.285,55 6.05,56 4.15,57 5.121,58 5.395,59 3.949,60 4.206,61 6.064,62 4.067,63 5.019,64 5.311,65 3.752,66 4.088,67 5.801,68 3.935,69 0.067,70 1.074,71 14.416,72 5.803,73 13.584,74 8.028,75 0.241,76 1.74,77 27.074,78 9.758,79 29.339,80 13.929,81 0.386,82 2.099,83 38.65,84 13.593,85 49.475,86 19.758,87 0.377,88 2.124,89 42.784,90 15.215,91 53.871,92 22.299,93 0.37,94 2.023,95 44.735,96 15.702,97 54.906,98 23.379,99 0.526,100 1.987,101 42.995,102 14.169,103 62.482,104 20.976,105 0.65,106 1.889,107 40.113,108 13.135,109 89.636,110 19.308,111 0.406,112 1.712,113 36.179,114 11.552,115 45.883,116 17.421,117 6,118 52,119 0.244,120 0.6,121 0.78,122 0.838,123 0.852,124 0.852,125 3.56,126 0.947,127 -4.96,128 -4.86,129 -4.56,130 40,132 4,136 4,137 2,143 7,144 3,145 2,148 1,149 1,151 2,155 1,158 9,159 2,160 5,164 6,165 10,167 3,170 1,171 6,172 7,175 6,176 1,177 5,178 7,182 6,183 1,184 4,185 8,188 5,190 1,191 1,192 7,196 5,198 3,199 1,200 2,202 1,203 5,205 3,206 3,211 2,212 5,214 2126,215 23.61,216 23.61,217 23.61,218 23.61,219 23.61,220 21.17,221 30.118,222 14.001,223 24.09,224 18.717,225 18.717,226 18.717,227 18.717,228 18.717,229 15.103,230 40.778,231 6.588,232 19.546,233 4.482,234 2.238,235 1.099,236 0.731,237 0.646,238 0.646,239 4.27,243 1180,244 3.536,246 188.135,247 357.05,248 161.154,250 2.415,251 27.607,254 1,255 0.83,256 0.83,257 0.8,258 0.5,259 0.85,260 73.5,261 532,262 4.568,263 3.199,264 6.566,265 4.099,266 3.118,267 4.518,268 0.8,269 10.431,270 3.062,271 4.132,272 3.195,273 6.162,274 3.865,275 2.891,276 3.731,277 0.657,278 9.13,279 2.816,280 4.129,281 2.903,282 6.095,283 3.69,284 2.753,285 3.675,287 8.884,288 2.578,289 3.698,290 2.876,291 5.481,292 3.569,293 2.617,294 2.898,296 7.345,297 5}
{0 CHEMBL361875,1 0.214,2 9.519,3 0.484,4 3.412,5 24.93,6 5.939,7 0.054,8 0.917,9 0.922,10 0.129,11 0.149,12 0.874,13 2.042,14 2.022,15 1.265,16 6.015,17 36.18,18 113.543,19 6.126,20 0.414,21 4.141,22 4.271,23 3.544,24 3.67,25 5.067,26 3.606,27 4.729,28 4.937,29 3.85,30 4.061,31 5.528,32 3.969,33 4.969,34 5.201,35 4.021,36 4.265,37 5.724,38 4.156,39 5.102,40 5.327,41 4.094,42 4.393,43 5.877,44 4.265,45 5.268,46 5.512,47 4.103,48 4.495,49 6.004,50 4.336,51 5.362,52 5.633,53 3.971,54 4.47,55 6.071,56 4.281,57 5.273,58 5.573,59 3.658,60 4.315,61 5.913,62 4.08,63 5.042,64 5.369,65 3.346,66 4.031,67 5.619,68 3.767,69 0.067,70 0.793,71 14.743,72 6.269,73 11.428,74 8.694,75 0.229,76 1.304,77 26.467,78 10.009,79 21.002,80 14.266,81 0.241,82 1.648,83 33.192,84 12.771,85 23.734,86 18.43,87 0.367,88 1.864,89 37.964,90 15.016,91 31.287,92 21.419,93 0.279,94 2.112,95 44.088,96 18.12,97 34.015,98 25.565,99 0.404,100 2.191,101 48.328,102 18.905,103 43.498,104 26.827,105 0.353,106 1.962,107 43.489,108 17.101,109 38.95,110 24.626,111 0.326,112 1.541,113 33.988,114 13.43,115 29.139,116 19.734,117 38,118 39,119 0.208,120 0.477,121 0.713,122 0.776,123 0.781,124 0.781,125 3.341,126 1.065,127 -5.76,128 -5.62,129 -5.24,130 40,131 2,132 5,135 2,136 2,137 1,143 6,144 4,145 2,158 14,160 8,165 17,167 8,172 16,174 1,175 8,178 17,182 8,185 19,188 8,192 18,200 11,202 2,203 2,206 8,209 1,212 4,214 1056,215 18.878,216 18.878,217 18.878,218 18.878,219 18.878,220 17.437,221 22.182,222 11.364,223 19.331,224 14.126,225 14.126,226 14.126,227 14.126,228 14.126,229 11.838,230 26.113,231 4.978,232 14.678,233 4.642,234 3.003,235 1.567,236 1.184,237 1.15,238 1.15,239 4.025,243 533,244 3.536,247 211.899,249 111.548,250 1.72,251 12.703,254 0.75,255 0.83,256 1,257 1,258 1,259 0.94,260 56.5,261 257,262 4.597,263 3.412,264 6.946,265 4.243,266 3.256,267 4.308,268 0.86,269 11.761,270 3.215,271 4.18,272 3.177,273 6.328,274 3.886,275 2.922,276 3.758,277 0.86,278 9.613,279 2.82,280 3.77,281 2.913,282 6.071,283 3.6,284 2.647,285 2.827,286 0.8,287 8.753,288 2.515,289 3.355,290 2.555,291 5.164,292 2.972,293 2.061,294 2.604,296 6.02,297 6.046}
{0 CHEMBL363466,1 0.204,2 7.957,3 0.481,4 3.134,5 16.045,6 4.982,7 0.041,8 0.724,9 0.759,10 0.08,11 0.172,12 0.717,13 2.041,14 2.021,15 1.324,16 4.27,17 18.233,18 94.998,19 6.489,20 0.48,21 3.938,22 4.059,23 3.399,24 3.472,25 4.928,26 3.425,27 4.506,28 4.704,29 3.721,30 3.868,31 5.365,32 3.802,33 4.698,34 4.885,35 3.88,36 4.091,37 5.55,38 3.998,39 4.904,40 5.125,41 3.902,42 4.188,43 5.736,44 4.06,45 5,46 5.251,47 3.863,48 4.19,49 5.789,50 4.047,51 4.929,52 5.165,53 3.704,54 4.078,55 5.748,56 3.93,57 4.816,58 5.076,59 3.337,60 3.913,61 5.551,62 3.711,63 4.678,64 5.003,65 2.919,66 3.621,67 5.273,68 3.346,69 0.043,70 0.637,71 11.367,72 4.889,73 10.306,74 6.629,75 0.22,76 1.044,77 20.902,78 7.758,79 19.28,80 10.764,81 0.155,82 1.287,83 24.791,84 10.277,85 18.322,86 14.184,87 0.291,88 1.506,89 30.694,90 12.572,91 29.046,92 17.526,93 0.238,94 1.59,95 33.928,96 13.527,97 31.933,98 18.955,99 0.325,100 1.445,101 32.116,102 12.139,103 35.398,104 16.746,105 0.274,106 1.285,107 28.46,108 10.915,109 30.155,110 15.382,111 0.279,112 1.083,113 24.667,114 9.335,115 23.774,116 13.827,117 26,118 35,119 0.228,120 0.511,121 0.716,122 0.779,123 0.786,124 0.786,125 3.19,126 0.977,127 -4.89,128 -4.8,129 -4.5,130 41.7,132 3,135 4,137 1,143 6,144 4,145 2,158 12,160 6,165 17,167 6,172 16,174 1,175 8,178 12,182 8,185 9,188 8,192 9,200 3,202 2,203 2,209 1,214 691,215 15.723,216 15.723,217 15.723,218 15.723,219 15.723,220 14.283,221 19.02,222 9.127,223 16.176,224 12.192,225 12.192,226 12.192,227 12.192,228 12.192,229 9.904,230 22.577,231 4.077,232 12.71,233 4.261,234 2.619,235 1.428,236 1.063,237 1.021,238 1.021,239 3.87,242 1,243 383,244 2.915,247 167.771,249 86.915,250 1.353,251 10.973,253 1,254 1,255 1,256 1,257 1,258 1,259 1,260 48.5,261 183,262 4.597,263 3.409,264 6.946,265 4.242,266 3.255,267 4.308,268 0.86,269 11.76,270 3.214,271 4.176,272 3.14,273 6.304,274 3.86,275 2.889,276 3.758,277 0.86,278 9.494,279 2.805,280 3.665,281 2.816,282 5.875,283 3.508,284 2.557,285 2.749,286 0.8,287 8.002,288 2.429,289 3.355,290 2.555,291 5.164,292 2.972,293 2.061,294 2.604,296 6.02,297 6}
{0 CHEMBL418854,1 0.185,2 12.821,3 0.483,4 3.848,5 28.985,6 7.791,7 -0.016,8 0.961,9 0.949,10 0.103,11 0.126,12 0.954,13 1.93,14 1.894,15 1.541,16 4.256,17 18.116,18 111.445,19 7.327,20 0.387,21 4.104,22 4.217,23 3.665,24 3.617,25 5.083,26 3.59,27 4.694,28 4.866,29 4.02,30 4.017,31 5.613,32 3.968,33 4.98,34 5.193,35 4.096,36 4.178,37 5.853,38 4.084,39 5.018,40 5.26,41 3.97,42 4.148,43 5.823,44 4.02,45 5.005,46 5.266,47 3.837,48 4.116,49 5.748,50 3.96,51 4.956,52 5.227,53 3.69,54 4.053,55 5.635,56 3.864,57 4.876,58 5.161,59 3.565,60 3.897,61 5.573,62 3.712,63 4.702,64 4.976,65 3.474,66 3.737,67 5.434,68 3.582,69 0.01,70 0.755,71 12.202,72 5.38,73 7.491,74 7.061,75 0.223,76 1.238,77 24.85,78 8.897,79 24.24,80 11.86,81 0.549,82 1.534,83 36.454,84 12.068,85 39.251,86 16.464,87 0.503,88 1.58,89 38.144,90 12.453,91 39.403,92 17.425,93 0.506,94 1.546,95 37.392,96 12.574,97 38.783,98 17.687,99 0.31,100 1.425,101 36.089,102 12.728,103 30.694,104 17.895,105 0.402,106 1.26,107 36.823,108 11.287,109 34.858,110 16.04,111 0.464,112 1.069,113 28.791,114 9.108,115 31.227,116 12.787,117 6,118 42,119 0.257,120 0.541,121 0.756,122 0.858,123 0.87,124 0.87,125 3.374,126 0.995,127 -4.1,128 -4.04,129 -3.83,130 40,132 2,133 1,135 1,136 5,137 1,143 7,145 5,158 6,160 6,164 1,165 6,166 2,167 8,169 1,171 2,172 3,175 4,176 1,178 2,182 4,183 1,184 1,185 5,188 4,191 1,192 4,196 2,199 3,200 2,202 1,204 1,205 2,206 3,208 1,211 1,212 4,214 1198,215 19.386,216 19.386,217 19.386,218 19.386,219 19.386,220 17.883,221 27.454,222 11.552,223 20.088,224 15.263,225 15.263,226 15.263,227 15.263,228 15.263,229 12.987,230 34.842,231 5.418,232 16.383,233 4.241,234 2.537,235 1.244,236 0.632,237 0.559,238 0.559,239 4.077,240 1,242 1,243 787,244 2.828,247 355.818,249 138.502,250 2.061,251 20.933,254 1,255 1,256 1,257 1,258 1,259 1,260 60.333,261 359,262 4.294,263 3.351,264 6.498,265 3.964,266 3.018,267 3.911,268 0.86,269 10.161,270 2.852,271 4.283,272 3.279,273 6.212,274 3.885,275 2.96,276 3.862,277 0.86,278 9.341,279 2.723,280 3.586,281 2.851,282 5.413,283 3.505,284 2.525,285 2.824,286 0.86,287 7.101,288 2.477,289 3.54,290 2.67,291 5.268,292 3.287,293 2.362,294 2.622,295 0.8,296 6.731,297 6.301}
{0 CHEMBL439849,1 0.182,2 15.636,3 0.475,4 4.109,5 40.241,6 9.154,7 -0.054,8 0.984,9 0.934,10 0.109,11 0.122,12 0.855,13 1.957,14 1.936,15 1.504,16 4.536,17 20.577,18 129.229,19 7.36,20 0.541,21 4.197,22 4.32,23 3.761,24 3.749,25 5.287,26 3.729,27 4.751,28 4.926,29 4.124,30 4.168,31 5.778,32 4.124,33 5.031,34 5.248,35 4.146,36 4.32,37 6.015,38 4.228,39 5.1,40 5.341,41 4.01,42 4.324,43 5.975,44 4.19,45 5.087,46 5.369,47 3.894,48 4.234,49 5.884,50 4.076,51 4.987,52 5.253,53 3.836,54 4.127,55 5.867,56 3.985,57 4.918,58 5.194,59 3.699,60 4.012,61 5.742,62 3.864,63 4.744,64 4.995,65 3.689,66 3.923,67 5.602,68 3.807,69 0.035,70 0.901,71 12.369,72 5.286,73 11.821,74 7.031,75 0.194,76 1.481,77 23.591,78 9.042,79 25.878,80 12.417,81 0.465,82 1.822,83 33.629,84 12.497,85 51.958,86 17.403,87 0.293,88 1.896,89 36.724,90 13.954,91 44.548,92 19.733,93 0.3,94 1.821,95 37.839,96 14.027,97 43.029,98 20.706,99 0.27,100 1.661,101 33.863,102 12.266,103 48.109,104 17.796,105 0.428,106 1.516,107 32.502,108 11.143,109 51.307,110 16.142,111 0.301,112 1.313,113 26.369,114 9.217,115 33.291,116 13.213,117 14,118 52,119 0.24,120 0.602,121 0.759,122 0.863,123 0.863,124 0.863,125 3.531,126 0.925,127 -3.02,128 -3.02,129 -2.91,130 43.3,132 3,136 5,143 7,144 4,145 1,148 1,149 3,150 2,152 1,153 1,154 1,158 11,160 7,162 1,163 1,164 3,165 11,166 2,167 8,168 1,169 1,171 4,172 10,173 1,175 5,177 3,178 6,180 1,181 1,182 7,184 3,185 4,186 2,188 6,190 1,191 1,192 3,194 1,195 1,196 4,197 1,198 2,200 3,202 1,203 4,206 4,209 2,212 5,214 1978,215 22.695,216 22.695,217 22.695,218 22.695,219 22.695,220 20.245,221 23.475,222 13.269,223 22.968,224 18.219,225 18.219,226 18.219,227 18.219,228 18.219,229 14.29,230 26.469,231 6.244,232 18.663,233 4.403,234 2.134,235 1.148,236 0.5,237 0.5,238 0.5,239 4.242,242 1,243 1145,244 3.606,246 172.559,247 309.632,248 309.587,250 2.479,251 25.469,254 1,255 1,256 1,257 0.8,258 0.5,259 0.9,260 70.5,261 516,262 4.555,263 4.058,264 6.546,265 4.079,266 3.091,267 4.508,268 2.035,269 10.359,270 3.068,271 4.526,272 3.515,273 6.377,274 4.077,275 3.084,276 4.458,277 0.98,278 9.886,279 3.054,280 4.02,281 3.172,282 6.095,283 3.756,284 2.804,285 3.415,286 0.8,287 8.903,288 2.67,289 3.886,290 3.148,291 5.678,292 3.441,293 2.471,294 3.259,295 0.8,296 7.344,297 5.523}
{0 CHEMBL506736,1 0.183,2 9.348,3 0.479,4 3.365,5 17.312,6 5.646,7 -0.007,8 1.06,9 1.01,10 0.082,11 0.162,12 1.016,13 1.98,14 1.955,15 1.374,16 4.622,17 21.36,18 92.23,19 6.669,20 0.48,21 3.916,22 4.041,23 3.388,24 3.48,25 4.913,26 3.429,27 4.486,28 4.672,29 3.73,30 3.874,31 5.442,32 3.798,33 4.781,34 5.006,35 3.797,36 4.028,37 5.688,38 3.923,39 4.813,40 5.042,41 3.712,42 4.033,43 5.674,44 3.899,45 4.851,46 5.103,47 3.693,48 4.034,49 5.749,50 3.881,51 4.841,52 5.111,53 3.529,54 3.96,55 5.662,56 3.79,57 4.709,58 5.001,59 3.391,60 3.801,61 5.494,62 3.625,63 4.496,64 4.772,65 3.261,66 3.648,67 5.356,68 3.48,69 0.035,70 0.692,71 10.754,72 4.899,73 7.054,74 6.498,75 0.119,76 1.136,77 19.891,78 8.191,79 20.062,80 11.058,81 0.251,82 1.432,83 27.629,84 10.781,85 35.198,86 14.475,87 0.238,88 1.425,89 28.38,90 11.377,91 34.6,92 15.352,93 0.375,94 1.467,95 29.755,96 11.813,97 47.962,98 16.237,99 0.286,100 1.425,101 29.634,102 11.333,103 40.43,104 15.712,105 0.283,106 1.214,107 25.937,108 9.731,109 33.667,110 13.884,111 0.147,112 1.089,113 20.751,114 8.351,115 27.398,116 11.508,117 10,118 34,119 0.238,120 0.548,121 0.765,122 0.837,123 0.852,124 0.852,125 3.188,126 1.005,127 -5.45,128 -5.32,129 -4.97,130 42.6,131 2,132 2,133 1,136 2,137 1,143 7,144 3,145 2,158 12,160 4,164 2,165 15,167 5,171 1,172 14,175 3,177 1,178 11,182 3,184 2,185 13,191 2,192 12,198 1,199 1,200 13,206 9,211 2,212 4,214 717,215 15.552,216 15.552,217 15.552,218 15.552,219 15.552,220 14.021,221 20.525,222 9.315,223 15.813,224 12.333,225 12.333,226 12.333,227 12.333,228 12.333,229 10.094,230 26.428,231 4.417,232 12.767,233 4.18,234 2.384,235 1.131,236 0.713,237 0.628,238 0.628,239 3.869,242 1,243 459,244 2.646,247 228.903,250 1.493,251 18.715,253 1,254 0.75,255 1,256 1,257 1,258 0.5,259 0.89,260 49,261 215,262 4.408,263 3.404,264 6.62,265 4.084,266 3.1,267 4.039,268 1.151,269 10.484,270 3.056,271 4.13,272 3.186,273 6.079,274 3.803,275 2.832,276 3.699,277 0.4,278 8.802,279 2.745,280 3.658,281 2.852,282 5.694,283 3.427,284 2.461,285 2.873,287 7.568,288 2.377,289 3.436,290 2.6,291 5,292 3.119,293 2.179,294 2.664,296 5.885,297 6.815}
{0 CHEMBL589390,1 0.188,2 9.458,3 0.488,4 3.335,5 19.75,6 5.55,7 0.113,8 0.81,9 0.809,10 0.058,11 0.175,12 0.968,13 1.969,14 1.945,15 1.266,16 4.006,17 16.045,18 100.408,19 6.52,20 0.593,21 3.967,22 4.103,23 3.448,24 3.541,25 4.905,26 3.486,27 4.545,28 4.757,29 3.814,30 3.96,31 5.381,32 3.886,33 4.762,34 4.972,35 3.861,36 4.14,37 5.58,38 4.025,39 4.931,40 5.194,41 3.746,42 4.165,43 5.627,44 3.998,45 4.854,46 5.125,47 3.672,48 4.078,49 5.532,50 3.91,51 4.792,52 5.053,53 3.614,54 4.032,55 5.505,56 3.869,57 4.773,58 5.055,59 3.513,60 3.962,61 5.485,62 3.782,63 4.687,64 4.983,65 3.304,66 3.808,67 5.401,68 3.607,69 0.055,70 0.716,71 11.493,72 4.656,73 8.461,74 6.742,75 0.16,76 1.211,77 21.219,78 7.601,79 15.254,80 11.385,81 0.179,82 1.471,83 26.249,84 9.965,85 20.221,86 14.701,87 0.225,88 1.62,89 31.312,90 12.241,91 22.354,92 17.971,93 0.196,94 1.479,95 28.914,96 11.525,97 19.661,98 16.858,99 0.183,100 1.411,101 27.223,102 10.467,103 18.942,104 15.458,105 0.165,106 1.342,107 26.717,108 10.504,109 20.968,110 15.466,111 0.159,112 1.208,113 24.625,114 9.435,115 22.897,116 14.01,117 10,118 39,119 0.214,120 0.541,121 0.771,122 0.86,123 0.867,124 0.867,125 3.229,126 0.98,127 -4.11,128 -4.05,129 -3.83,130 42.9,131 2,132 2,135 1,136 3,143 5,144 4,146 1,147 1,149 2,158 9,160 10,165 11,167 6,172 9,174 1,175 3,178 9,181 1,182 4,185 9,188 3,192 8,196 6,200 8,203 3,206 4,208 1,209 2,212 6,214 826,215 16.24,216 16.24,217 16.24,218 16.24,219 16.24,220 14.261,221 18.453,222 9.434,223 16.51,224 13.335,225 13.335,226 13.335,227 13.335,228 13.335,229 10.301,230 16.535,231 4.528,232 13.773,233 4.349,234 2.42,235 1.059,236 0.536,237 0.495,238 0.495,239 3.928,241 1,242 1,243 500,244 2.55,246 39.049,247 162.631,248 145.814,250 1.292,251 8.196,253 1,254 1,255 1,256 1,257 0.8,258 0.5,259 0.9,260 49.5,261 227,262 4.769,263 3.502,264 7.054,265 4.327,266 3.358,267 4.731,268 0.916,269 12.178,270 3.257,271 4.013,272 2.817,273 5.76,274 3.602,275 2.622,276 3.615,277 0.172,278 7.651,279 2.571,280 3.833,281 2.753,282 5.745,283 3.475,284 2.501,285 3.312,287 7.598,288 2.445,289 3.6,290 2.574,291 5.405,292 3.296,293 2.352,294 2.918,296 7.102,297 6.924}
{0 CHEMBL61861,1 0.147,2 10.231,3 0.452,4 3.541,5 25.598,6 6.475,7 -0.046,8 1,9 0.984,10 0.17,11 0.142,12 0.91,13 1.937,14 1.914,15 1.683,16 4.239,17 17.967,18 91.897,19 7.987,20 0.444,21 3.918,22 4.021,23 3.505,24 3.403,25 5.127,26 3.41,27 4.469,28 4.628,29 3.925,30 3.742,31 6.152,32 3.741,33 4.683,34 4.866,35 3.861,36 3.877,37 5.89,38 3.83,39 4.812,40 5.046,41 3.829,42 3.864,43 5.988,44 3.807,45 4.763,46 4.984,47 3.737,48 3.853,49 5.908,50 3.787,51 4.726,52 4.949,53 3.759,54 3.886,55 5.853,56 3.793,57 4.68,58 4.9,59 3.746,60 3.912,61 5.766,62 3.81,63 4.726,64 4.964,65 3.732,66 3.846,67 5.888,68 3.758,69 0.172,70 0.813,71 8.312,72 4.635,73 32.681,74 5.173,75 0.973,76 1.58,77 18.13,78 7.133,79 160.658,80 8.367,81 0.681,82 1.388,83 23.031,84 9.215,85 71.914,86 11.185,87 0.919,88 1.513,89 29.851,90 10.234,91 111.429,92 12.683,93 0.925,94 1.347,95 28.148,96 9.644,97 150.059,98 11.853,99 1.019,100 1.178,101 26.52,102 9.274,103 105.249,104 12.612,105 0.638,106 1.295,107 23.456,108 9.457,109 77.429,110 12.814,111 0.632,112 1.431,113 26.091,114 9.896,115 86.913,116 12.792,117 45,118 37,119 0.292,120 0.593,121 0.738,122 0.815,123 0.841,124 0.841,125 3.304,126 0.894,127 -4.93,128 -4.83,129 -4.53,130 41.3,132 1,135 1,136 2,137 1,140 1,143 9,144 2,145 1,150 1,156 1,157 1,158 10,160 5,161 1,163 1,165 11,166 1,167 4,169 1,172 7,174 1,175 4,178 6,179 1,182 4,184 1,185 9,188 4,189 1,192 10,193 1,195 1,196 4,198 1,199 1,200 8,201 2,203 3,205 2,206 4,207 4,209 4,211 4,212 1,213 3,214 1216,215 16.679,216 16.679,217 16.679,218 16.679,219 16.679,220 15.06,221 19.343,222 9.972,223 17.156,224 13.345,225 13.345,226 13.345,227 13.345,228 13.345,229 10.989,230 22.722,231 4.769,232 14.215,233 3.84,234 2.109,235 1.278,236 0.832,237 0.685,238 0.685,239 3.963,242 1,243 536,244 4.528,247 203.015,250 1.574,251 45.947,253 1,254 1,255 1,256 1,257 1,258 1,259 1,260 60,261 266,262 4.44,263 4.46,264 7.111,265 4.171,266 3.314,267 3.837,268 3.825,269 11.657,270 2.874,271 4.101,272 3.627,273 6.165,274 3.837,275 2.879,276 3.554,277 2.376,278 9.166,279 2.759,280 3.785,281 3.309,282 5.337,283 3.43,284 2.483,285 3.155,286 1.151,287 6.931,288 2.345,289 3.656,290 2.677,291 5.202,292 3.365,293 2.416,294 2.793,295 0.823,296 6.544,297 5}