"molecule_id","CATS2D_08_DA","Eig12_AEA.bo.","Eig13_AEA.dm.","Eig14_AEA.dm.","GATS5v","GATS8m","PHI","SpMin7_Bh.m.","CATS2D_07_AL","CATS2D_09_DL","GATS2m","GATS7e","GATS7s","MATS2m","MATS2v","RBF","SpMin2_Bh.m.","SpMin2_Bh.s.","SpMin2_Bh.v.","SpMin3_Bh.e.","SpMin3_Bh.i.","SpMin3_Bh.m.","SpMin3_Bh.s.","SpMin3_Bh.v.","SpMin4_Bh.e.","SpMin4_Bh.m.","SpMin4_Bh.s.","SpMin5_Bh.m.","SpMin5_Bh.s.","SpMin6_Bh.m.","SpMin6_Bh.s.","SpMin7_Bh.s.","GATS2e","MATS8e","nCs","D.Dtr06","D.Dtr09","LOC","S2K","SssNH","MCD","PCD","TIE","Uindex","CATS2D_01_LL","CATS2D_03_DL","CATS2D_04_DL","CATS2D_07_DL","Eta_B_A","P_VSA_MR_1","SpMin2_Bh.e.","SpMin4_Bh.i.","SpMin5_Bh.e.","SpMin6_Bh.e.","SpMin6_Bh.v.","SpMin5_Bh.v.","Eta_betaS_A","MATS1i","MATS2e","MATS2s","MATS5v","SpMin1_Bh.i.","CATS2D_05_DA","GATS8e","BIC0","CATS2D_06_AL","CATS2D_06_LL","CATS2D_08_LL","CATS2D_09_LL","Eta_C_A","GATS2i","H.052","P_VSA_e_1","P_VSA_LogP_2","P_VSA_LogP_7","P_VSA_m_1","P_VSA_MR_2","P_VSA_p_1","P_VSA_s_2","P_VSA_s_3","P_VSA_v_1","S3K","SpMaxA_EA.ed.","GATS6i","AAC","AECC","ALOGP","ALOGP2","AMR","AMW","ARR","ATS1e","ATS1i","ATS1m","ATS1p","ATS1s","ATS1v","ATS2e","ATS2i","ATS2m","ATS2p","ATS2s","ATS2v","ATS3e","ATS3i","ATS3m","ATS3p","ATS3s","ATS3v","ATS4e","ATS4i","ATS4m","ATS4p","ATS4s","ATS4v","ATS5e","ATS5i","ATS5m","ATS5p","ATS5s","ATS5v","ATS6e","ATS6i","ATS6m","ATS6p","ATS6s","ATS6v","ATS7e","ATS7i","ATS7m","ATS7p","ATS7s","ATS7v","ATS8e","ATS8i","ATS8m","ATS8p","ATS8s","ATS8v","ATSC1e","ATSC1i","ATSC1m","ATSC1p","ATSC1s","ATSC1v","ATSC2e","ATSC2i","ATSC2m","ATSC2p","ATSC2s","ATSC2v","ATSC3e","ATSC3i","ATSC3m","ATSC3p","ATSC3s","ATSC3v","ATSC4e","ATSC4i","ATSC4m","ATSC4p","ATSC4s","ATSC4v","ATSC5e","ATSC5i","ATSC5m","ATSC5p","ATSC5s","ATSC5v","ATSC6e","ATSC6i","ATSC6m","ATSC6p","ATSC6s","ATSC6v","ATSC7e","ATSC7i","ATSC7m","ATSC7p","ATSC7s","ATSC7v","ATSC8e","ATSC8i","ATSC8m","ATSC8p","ATSC8s","ATSC8v","BAC","BBI","BIC1","BIC2","BIC3","BIC4","BIC5","BID","BLI","BLTA96","BLTD48","BLTF96","C.","C.001","C.002","C.003","C.006","C.008","C.009","C.028","C.029","C.030","C.038","C.040","C.041","C.042","C.043","CATS2D_00_DD","CATS2D_00_DP","CATS2D_00_PP","CATS2D_01_AN","CATS2D_01_DN","CATS2D_01_NL","CATS2D_02_AA","CATS2D_02_AL","CATS2D_02_AP","CATS2D_02_DA","CATS2D_02_DD","CATS2D_02_DL","CATS2D_02_DP","CATS2D_02_LL","CATS2D_02_PL","CATS2D_02_PP","CATS2D_03_AA","CATS2D_03_AL","CATS2D_03_AN","CATS2D_03_AP","CATS2D_03_DA","CATS2D_03_DD","CATS2D_03_DN","CATS2D_03_DP","CATS2D_03_LL","CATS2D_03_PL","CATS2D_04_AA","CATS2D_04_AL","CATS2D_04_AP","CATS2D_04_DA","CATS2D_04_DD","CATS2D_04_LL","CATS2D_04_PL","CATS2D_05_AA","CATS2D_05_AL","CATS2D_05_AN","CATS2D_05_AP","CATS2D_05_DD","CATS2D_05_DL","CATS2D_05_DN","CATS2D_05_LL","CATS2D_05_NL","CATS2D_05_PL","CATS2D_06_AA","CATS2D_06_AN","CATS2D_06_AP","CATS2D_06_DA","CATS2D_06_DD","CATS2D_06_DL","CATS2D_06_DN","CATS2D_06_DP","CATS2D_06_NN","CATS2D_06_PL","CATS2D_07_AA","CATS2D_07_AN","CATS2D_07_DA","CATS2D_07_DD","CATS2D_07_DN","CATS2D_07_DP","CATS2D_07_LL","CATS2D_07_NL","CATS2D_07_PN","CATS2D_07_PP","CATS2D_08_AA","CATS2D_08_AL","CATS2D_08_AN","CATS2D_08_AP","CATS2D_08_DD","CATS2D_08_DL","CATS2D_08_DN","CATS2D_08_DP","CATS2D_08_NL","CATS2D_08_PL","CATS2D_09_AA","CATS2D_09_AL","CATS2D_09_AN","CATS2D_09_AP","CATS2D_09_DA","CATS2D_09_DD","CATS2D_09_DN","CATS2D_09_DP","CATS2D_09_NL","CATS2D_09_PL","CENT","Chi0_AEA.bo.","Chi0_AEA.dm.","Chi0_AEA.ed.","Chi0_AEA.ri.","Chi0_EA","Chi0_EA.bo.","Chi0_EA.dm.","Chi0_EA.ed.","Chi0_EA.ri.","Chi1_AEA.bo.","Chi1_AEA.dm.","Chi1_AEA.ed.","Chi1_AEA.ri.","Chi1_EA","Chi1_EA.bo.","Chi1_EA.dm.","Chi1_EA.ed.","Chi1_EA.ri.","CIC0","CIC1","CIC2","CIC3","CIC4","CIC5","CID","CSI","DBI","D.Dtr05","DECC","DELS","DLS_02","DLS_03","DLS_cons","Dz","ECC","Eig01_AEA.bo.","Eig01_AEA.dm.","Eig01_AEA.ed.","Eig01_AEA.ri.","Eig01_EA","Eig01_EA.bo.","Eig01_EA.dm.","Eig01_EA.ed.","Eig01_EA.ri.","Eig02_AEA.bo.","pXC50"
{1 21,2 3.638,3 2.293,4 2.24,5 1.026,6 0.941,7 33.891,8 1.697,9 9,10 8,11 0.902,12 1.106,13 1.177,14 0.039,15 -0.14,16 0.25,17 1.982,18 1.304,19 1.989,20 1.753,21 1.698,22 1.961,23 1.287,24 1.957,25 1.72,26 1.942,27 1.272,28 1.928,29 1.262,30 1.92,31 1.256,32 0.866,33 0.494,34 0.177,35 18,38 3.318,39 36.411,40 12.902,42 0.584,43 1719.34,44 743.311,45 6,46 12,47 18,48 5,49 0.028,50 211.88,51 1.789,52 1.661,53 1.698,54 1.685,55 1.9,56 1.91,57 0.649,58 -0.141,59 0.265,60 0.21,61 0.016,62 1.766,63 11,64 0.918,65 0.226,66 5,67 10,68 4,69 8,70 1.513,71 1.371,72 24,73 494.386,74 560.766,75 494.386,76 494.386,77 476.059,78 494.386,79 494.386,80 78.876,81 494.386,82 32.666,83 0.141,84 1.008,85 1.641,86 20.582,87 -6.74,88 45.432,89 246.228,90 6.775,92 5.008,93 5.188,94 4.405,95 4.299,96 6.21,97 4.304,98 5.519,99 5.744,100 4.713,101 4.668,102 6.742,103 4.61,104 5.848,105 6.113,106 4.776,107 4.84,108 6.957,109 4.768,110 5.946,111 6.204,112 4.842,113 4.926,114 7.038,115 4.859,116 6.033,117 6.289,118 4.99,119 5,120 7.294,121 4.935,122 6.099,123 6.354,124 5.04,125 5.075,126 7.274,127 5.005,128 6.164,129 6.42,130 5.145,131 5.153,132 7.322,133 5.092,134 6.26,135 6.514,136 5.278,137 5.226,138 7.613,139 5.17,140 0.484,141 1.875,142 34.212,143 8.962,144 86.789,145 15.607,146 1.242,147 2.487,148 58.479,149 16.511,150 191.027,151 27.028,152 2.06,153 2.809,154 84.49,155 18.347,156 293.708,157 33.062,158 2.003,159 2.993,160 93.1,161 20.399,162 327.406,163 36.41,164 2.794,165 3.221,166 102.35,167 22.844,168 499.89,169 40.076,170 2.906,171 3.481,172 109.296,173 25.135,174 447.476,175 43.11,176 2.623,177 3.783,178 115.753,179 27.037,180 418.198,181 46.608,182 3.679,183 4.058,184 128.609,185 28.5,186 637.462,187 50.007,188 625,189 83,190 0.43,191 0.539,192 0.584,193 0.62,194 0.654,195 4.221,196 0.971,197 2.4,198 2.13,199 1.7,200 25.5,202 12,204 6,205 6,211 6,212 6,215 13,216 13,217 13,218 1,219 1,222 6,223 12,224 18,225 6,226 6,227 12,229 1,230 6,232 12,234 1,235 6,236 6,238 1,240 1,242 11,247 12,248 5,249 5,250 1,251 1,253 17,254 1,255 5,256 1,257 13,258 6,260 1,261 11,262 5,263 10,265 1,267 1,268 5,269 1,271 12,272 2,273 14,274 5,276 2,277 2,278 4,279 14,280 1,281 13,282 12,283 4,284 1,285 12,286 1,287 1,288 5,289 14,291 11,292 19,293 4,295 1,296 1,297 1,298 16086,299 42.572,300 42.572,301 42.572,302 42.572,303 42.572,304 39.403,305 55.796,306 26.373,307 43.604,308 32.528,309 32.528,310 32.528,311 32.528,312 32.528,313 28.023,314 52.843,315 12.619,316 34.066,317 5.499,318 4.02,319 3.231,320 2.903,321 2.646,322 2.398,323 4.874,324 2665,325 9.11,327 2.765,328 136.141,329 0.17,330 0.33,331 0.36,332 153,333 1379,334 4.122,335 3.864,336 6.225,337 3.95,338 2.966,339 3.292,340 2.376,341 9.281,342 2.908,343 4.062,344 4.301}
{0 CHEMBL414907,1 22,2 3.645,3 2.814,4 2.814,5 1.023,6 0.939,7 40.571,8 1.92,9 13,10 13,11 0.912,12 1.097,13 1.169,14 0.033,15 -0.147,16 0.256,17 1.995,18 1.317,19 1.998,20 1.771,21 1.717,22 1.979,23 1.305,24 1.973,25 1.744,26 1.959,27 1.29,28 1.941,29 1.276,30 1.928,31 1.264,32 1.257,33 0.493,34 0.158,35 22,38 3.456,39 43.544,40 18.406,42 0.552,43 2380.45,44 975.266,45 9,46 14,47 20,48 6,49 0.027,50 341.362,51 1.798,52 1.686,53 1.718,54 1.697,55 1.91,56 1.926,57 0.644,58 -0.146,59 0.257,60 0.199,61 0.014,62 1.768,63 12,64 0.928,65 0.219,66 7,67 13,68 7,69 10,70 1.62,71 1.372,72 26,73 647.411,74 576.134,75 647.411,76 647.411,77 549.891,78 647.411,79 647.411,80 100.529,81 647.411,82 39.661,83 0.121,84 1.011,85 1.637,86 23.423,87 -6.177,88 38.159,89 287.131,90 6.731,92 5.159,93 5.333,94 4.555,95 4.47,96 6.335,97 4.467,98 5.686,99 5.91,100 4.858,101 4.837,102 6.882,103 4.772,104 6.014,105 6.28,106 4.913,107 5.006,108 7.091,109 4.927,110 6.098,111 6.355,112 4.995,113 5.091,114 7.174,115 5.02,116 6.192,117 6.445,118 5.144,119 5.168,120 7.443,121 5.1,122 6.259,123 6.512,124 5.191,125 5.246,126 7.406,127 5.173,128 6.33,129 6.583,130 5.308,131 5.33,132 7.475,133 5.266,134 6.429,135 6.679,136 5.445,137 5.411,138 7.754,139 5.352,140 0.487,141 2.226,142 39.807,143 11.166,144 85.566,145 18.807,146 1.403,147 2.989,148 69.259,149 19.97,150 207.718,151 32.356,152 2.353,153 3.395,154 99.864,155 22.41,156 330.445,157 39.546,158 2.179,159 3.63,160 108.174,161 24.939,162 354.226,163 43.397,164 3.179,165 3.918,166 119.797,167 27.781,168 566.738,169 47.669,170 3.225,171 4.246,172 128.081,173 30.463,174 493.332,175 51.321,176 3.018,177 4.641,178 136.54,179 33.158,180 468.622,181 55.845,182 4.138,183 5.043,184 151.872,185 35.093,186 711.866,187 60.282,188 784,189 96,190 0.419,191 0.561,192 0.628,193 0.65,194 0.673,195 4.371,196 0.991,197 2.3,198 2.04,199 1.61,200 26.7,201 1,202 16,204 7,205 6,211 8,212 6,215 12,216 12,217 12,218 1,219 1,222 8,223 12,224 20,225 6,226 9,227 12,228 2,230 6,232 13,235 6,236 6,239 1,242 14,246 2,247 12,248 6,249 9,250 1,253 20,254 1,255 8,256 1,257 12,258 6,261 11,262 5,263 11,268 6,269 1,270 1,271 13,272 2,273 12,274 9,276 2,278 5,279 18,280 1,281 12,282 12,283 6,284 1,285 12,286 1,288 6,289 17,291 12,292 22,293 4,296 1,297 2,298 24524,299 49.831,300 49.831,301 49.831,302 49.831,303 49.831,304 46.3,305 64.112,306 31.114,307 50.901,308 38.004,309 38.004,310 38.004,311 38.004,312 38.004,313 32.894,314 59.872,315 14.943,316 39.573,317 5.73,318 4.233,319 3.17,320 2.67,321 2.509,322 2.333,323 5.028,324 3546,325 9.798,327 3.218,328 159.394,329 0.17,330 0.33,331 0.36,332 177.5,333 1827,334 4.125,335 3.866,336 6.23,337 3.953,338 2.97,339 3.295,340 2.376,341 9.298,342 2.911,343 4.073,344 4.301}
{0 CHEMBL605688,1 6,2 2.802,3 1.964,4 1.854,5 1.038,6 0.997,7 16.486,8 1.665,9 6,10 9,11 0.895,12 1.111,13 1.193,14 0.007,15 -0.119,16 0.224,17 1.973,18 1.304,19 1.965,20 1.75,21 1.694,22 1.937,23 1.274,24 1.956,25 1.702,26 1.848,27 1.132,28 1.769,29 0.992,30 1.71,31 0.903,32 0.85,33 0.69,34 0.032,35 13,36 183.844,37 277.79,38 3.061,39 20.233,40 12.917,41 0.28,42 2.048,43 258.217,44 126.422,45 5,46 8,47 8,48 5,49 0.028,50 235.422,51 1.797,52 1.64,53 1.604,54 1.531,55 1.774,56 1.812,57 0.685,58 -0.211,59 0.129,60 0.111,61 -0.03,62 1.751,63 6,64 0.983,65 0.256,66 4,67 4,68 3,69 2,70 1.175,71 1.311,72 10,73 353.133,74 146.42,75 317.82,76 353.133,77 260.974,78 353.133,79 353.133,80 51.603,81 353.133,82 12.552,83 0.225,84 0.988,85 1.731,86 20.6,87 -2.981,88 8.885,89 175.395,90 7.363,91 0.192,92 4.663,93 4.81,94 4.161,95 3.991,96 5.866,97 4.02,98 5.202,99 5.388,100 4.523,101 4.392,102 6.429,103 4.378,104 5.543,105 5.777,106 4.613,107 4.542,108 6.751,109 4.505,110 5.604,111 5.844,112 4.607,113 4.576,114 6.783,115 4.538,116 5.609,117 5.844,118 4.617,119 4.581,120 6.908,121 4.536,122 5.616,123 5.853,124 4.584,125 4.579,126 6.811,127 4.53,128 5.625,129 5.863,130 4.6,131 4.58,132 6.853,133 4.529,134 5.627,135 5.875,136 4.564,137 4.564,138 6.961,139 4.501,140 0.42,141 1.377,142 21.574,143 6.543,144 66.061,145 10.23,146 1.061,147 1.976,148 39.614,149 12.058,150 141.508,151 18.341,152 2.042,153 2.215,154 61.408,155 14.234,156 259.251,157 23.789,158 2.016,159 2.249,160 66.09,161 15.068,162 273.042,163 24.97,164 2.216,165 2.234,166 66.321,167 15.619,168 346.082,169 25.513,170 2.124,171 2.22,172 67.115,173 15.587,174 293.17,175 25.511,176 2.121,177 2.223,178 67.811,179 16.248,180 298.656,181 26.118,182 2.19,183 2.175,184 68.281,185 15.825,186 370.404,187 26.333,188 183,189 70,190 0.589,191 0.766,192 0.857,193 0.89,194 0.899,195 3.934,196 0.923,197 -0.03,198 -0.18,199 -0.37,200 29.2,202 8,204 3,205 5,206 1,207 1,208 1,209 1,211 4,212 2,213 1,214 1,215 3,216 3,217 3,218 1,219 1,221 4,222 1,223 1,224 5,225 6,226 6,227 4,228 2,231 3,232 3,234 1,235 7,236 3,239 1,241 3,242 6,243 2,244 4,245 1,246 1,247 2,248 3,249 6,252 3,253 8,254 2,255 3,256 1,257 2,258 1,260 1,261 6,262 3,263 4,268 2,269 1,270 6,271 6,272 2,273 3,274 4,275 1,276 1,278 1,279 5,281 2,282 6,283 7,284 1,285 3,286 1,288 2,289 4,291 3,292 8,293 2,295 1,296 1,297 1,298 6782,299 32.622,300 32.622,301 32.622,302 32.622,303 32.622,304 30.433,305 39.34,306 19.62,307 33.465,308 25.596,309 25.596,310 25.596,311 25.596,312 25.596,313 22.089,314 40.462,315 9.311,316 26.977,317 4.854,318 2.601,319 1.398,320 0.781,321 0.562,322 0.5,323 4.609,324 2126,325 6.633,326 331.996,327 2.848,328 98.664,329 0.33,330 0.33,331 0.38,332 115,333 1030,334 4.643,335 3.866,336 6.947,337 4.243,338 3.316,339 4.581,340 2.376,341 11.682,342 3.07,343 4.226,344 4.456}
{0 CHEMBL610874,1 18,2 3.549,3 2.758,4 2.758,5 1.034,6 0.965,7 38.206,8 1.926,9 14,10 25,11 0.92,12 1.15,13 1.211,14 0.003,15 -0.15,16 0.263,17 1.998,18 1.322,19 1.999,20 1.797,21 1.746,22 1.982,23 1.311,24 1.975,25 1.772,26 1.963,27 1.297,28 1.946,29 1.283,30 1.934,31 1.272,32 1.266,33 0.618,34 0.097,35 25,36 405.26,37 611.73,38 3.608,39 44.076,40 33.818,41 0.149,42 1.889,43 962.543,44 364.615,45 9,46 20,47 20,48 9,49 0.027,50 376.675,51 1.798,52 1.717,53 1.744,54 1.718,55 1.931,56 1.951,57 0.673,58 -0.183,59 0.182,60 0.147,61 -0.006,62 1.768,63 10,64 0.956,65 0.219,66 8,67 12,68 7,69 10,70 1.597,71 1.357,72 26,73 682.724,74 378.751,75 647.411,76 682.724,77 549.891,78 682.724,79 682.724,80 106.717,81 682.724,82 31.575,83 0.122,84 1.004,85 1.689,86 28.979,87 -6.403,88 41.001,89 336.925,90 7.084,91 0.104,92 5.315,93 5.479,94 4.769,95 4.628,96 6.507,97 4.645,98 5.848,99 6.051,100 5.114,101 5.027,102 7.06,103 4.992,104 6.211,105 6.463,106 5.205,107 5.206,108 7.354,109 5.149,110 6.296,111 6.549,112 5.252,113 5.274,114 7.423,115 5.221,116 6.341,117 6.583,118 5.346,119 5.326,120 7.621,121 5.274,122 6.402,123 6.644,124 5.379,125 5.393,126 7.567,127 5.335,128 6.477,129 6.72,130 5.472,131 5.466,132 7.664,133 5.413,134 6.555,135 6.8,136 5.561,137 5.532,138 7.892,139 5.474,140 0.701,141 2.641,142 43.983,143 12.373,144 115.76,145 20.529,146 1.804,147 3.699,148 78.46,149 23.252,150 248.298,151 36.64,152 3.409,153 4.219,154 120.995,155 27.346,156 456.112,157 47.418,158 3.367,159 4.432,160 132.426,161 29.785,162 496.159,163 51.257,164 4.143,165 4.659,166 138.475,167 32.192,168 693.777,169 54.24,170 4.15,171 4.981,172 147.032,173 34.666,174 592.808,175 57.697,176 4.199,177 5.369,178 158.143,179 37.726,180 615.207,181 62.626,182 5.052,183 5.729,184 171.275,185 40.117,186 885.043,187 67.736,188 795,189 126,190 0.483,191 0.624,192 0.698,193 0.729,194 0.749,195 4.555,196 0.948,197 2.86,198 2.56,199 2.09,200 27.7,202 16,204 7,205 9,206 1,207 1,208 1,209 1,211 8,212 6,213 1,214 1,215 7,216 7,217 7,218 1,219 1,221 4,222 1,223 1,224 9,225 18,226 14,227 12,228 2,231 3,232 7,234 1,235 11,236 7,239 1,241 3,242 14,243 2,244 4,245 1,246 1,247 6,248 7,249 10,252 7,253 20,254 2,255 7,256 1,257 6,258 1,260 1,261 14,262 11,263 12,268 2,269 1,270 10,271 14,272 2,273 7,274 8,276 1,278 5,279 9,281 6,282 18,283 19,284 2,285 7,286 1,288 2,289 8,291 7,292 24,293 10,295 1,296 1,297 1,298 41226,299 60.831,300 60.831,301 60.831,302 60.831,303 60.831,304 57.292,305 78.964,306 37.058,307 62.366,308 47.306,309 47.306,310 47.306,311 47.306,312 47.306,313 41.465,314 80.839,315 17.675,316 49.71,317 5.866,318 3.834,319 2.746,320 2.172,321 1.932,322 1.778,323 5.228,324 5530,325 10,326 722.539,327 4.405,328 201.303,329 0.17,330 0.33,331 0.36,332 215,333 2724,334 4.643,335 3.866,336 6.947,337 4.243,338 3.316,339 4.581,340 2.376,341 11.682,342 3.07,343 4.226,344 5.921}
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{0 CHEMBL611123,1 21,2 3.549,3 2.758,4 2.758,5 1.036,6 0.952,7 35.195,8 1.848,9 11,10 20,11 0.901,12 1.133,13 1.194,14 0.01,15 -0.142,16 0.258,17 1.985,18 1.312,19 1.995,20 1.792,21 1.741,22 1.966,23 1.298,24 1.965,25 1.758,26 1.948,27 1.284,28 1.934,29 1.273,30 1.926,31 1.266,32 1.132,33 0.63,34 0.137,35 21,36 376.735,37 569.046,38 3.424,39 40.876,40 32.929,41 0.156,42 1.91,43 896.477,44 337.384,45 6,46 18,47 18,48 5,49 0.029,50 306.049,51 1.797,52 1.704,53 1.725,54 1.7,55 1.918,56 1.937,57 0.681,58 -0.208,59 0.173,60 0.143,61 -0.006,62 1.767,63 11,64 0.932,65 0.225,66 5,67 10,68 4,69 8,70 1.551,71 1.355,72 24,73 588.555,74 368.613,75 553.242,76 588.555,77 526.349,78 588.555,79 588.555,80 96.579,81 588.555,82 28.959,83 0.127,84 0.993,85 1.715,86 25.933,87 -7.672,88 58.853,89 318.419,90 7.248,91 0.109,92 5.257,93 5.42,94 4.728,95 4.557,96 6.475,97 4.585,98 5.781,99 5.98,100 5.081,101 4.955,102 7.028,103 4.933,104 6.141,105 6.387,106 5.176,107 5.137,108 7.326,109 5.093,110 6.233,111 6.481,112 5.222,113 5.211,114 7.39,115 5.17,116 6.283,117 6.52,118 5.328,119 5.265,120 7.612,121 5.224,122 6.346,123 6.585,124 5.362,125 5.332,126 7.551,127 5.286,128 6.419,129 6.658,130 5.464,131 5.402,132 7.653,133 5.367,134 6.498,135 6.736,136 5.564,137 5.47,138 7.908,139 5.431,140 0.759,141 2.467,142 40.428,143 11.001,144 122.759,145 18.468,146 1.832,147 3.437,148 71.991,149 21.015,150 248.114,151 33.191,152 3.479,153 3.914,154 112.29,155 24.812,156 462.244,157 43.064,158 3.442,159 4.125,160 123.979,161 27.235,162 506.662,163 47.042,164 4.252,165 4.345,166 130.032,167 29.588,168 715.385,169 50.154,170 4.346,171 4.654,172 138.707,173 31.899,174 609.25,175 53.322,176 4.312,177 5.009,178 148.794,179 34.187,180 638.879,181 57.469,182 5.369,183 5.35,184 161.271,185 36.63,186 932.076,187 62.07,188 791,189 122,190 0.499,191 0.635,192 0.693,193 0.714,194 0.735,195 4.512,196 0.924,197 3.48,198 3.16,199 2.62,200 27.3,202 12,204 7,205 9,206 1,207 1,208 1,209 1,211 8,212 6,213 1,214 1,215 7,216 7,217 7,218 1,219 1,221 4,223 1,224 9,225 18,226 12,227 12,231 3,232 6,234 1,235 12,236 8,241 3,242 12,243 2,244 4,245 1,247 6,248 8,249 6,252 7,253 18,254 2,255 5,256 1,257 6,258 2,260 1,261 16,262 12,263 11,268 2,269 1,270 10,271 14,272 2,273 7,274 5,276 1,278 7,279 7,281 6,282 20,283 15,284 2,285 7,286 1,288 2,289 5,291 7,292 25,293 11,295 1,296 1,298 34594,299 58.002,300 58.002,301 58.002,302 58.002,303 58.002,304 54.464,305 75.513,306 35.072,307 59.528,308 45.306,309 45.306,310 45.306,311 45.306,312 45.306,313 39.465,314 77.763,315 16.7,316 47.7,317 5.744,318 3.659,319 2.616,320 2.18,321 2.019,322 1.854,323 5.184,324 4734,325 9.798,326 675.822,327 3.714,328 200.308,329 0.17,330 0.33,331 0.36,332 207,333 2334,334 4.643,335 3.873,336 6.948,337 4.243,338 3.316,339 4.581,340 2.376,341 11.682,342 3.071,343 4.228,344 4.174}
{0 CHEMBL611125,1 20,2 3.549,3 2.758,4 2.758,5 1.04,6 0.952,7 36.693,8 1.911,9 11,10 21,11 0.911,12 1.116,13 1.163,14 0.007,15 -0.146,16 0.261,17 1.988,18 1.313,19 1.997,20 1.795,21 1.743,22 1.969,23 1.299,24 1.968,25 1.762,26 1.951,27 1.285,28 1.936,29 1.273,30 1.927,31 1.266,32 1.22,33 0.623,34 0.125,35 23,36 391.255,37 590.772,38 3.518,39 42.47,40 33.513,41 0.152,42 1.899,43 930.786,44 350.846,45 7,46 20,47 18,48 9,49 0.028,50 329.591,51 1.797,52 1.708,53 1.73,54 1.704,55 1.92,56 1.941,57 0.677,58 -0.195,59 0.178,60 0.145,61 -0.011,62 1.767,63 11,64 0.923,65 0.222,66 7,67 11,68 6,69 9,70 1.574,71 1.356,72 26,73 635.64,74 373.682,75 600.326,76 635.64,77 549.891,78 635.64,79 635.64,80 101.648,81 635.64,82 30.259,83 0.124,84 1.01,85 1.702,86 27.38,87 -7.316,88 53.518,89 327.723,90 7.163,91 0.106,92 5.286,93 5.45,94 4.749,95 4.593,96 6.491,97 4.616,98 5.815,99 6.016,100 5.098,101 4.992,102 7.044,103 4.963,104 6.177,105 6.426,106 5.19,107 5.171,108 7.338,109 5.121,110 6.265,111 6.515,112 5.237,113 5.242,114 7.408,115 5.195,116 6.311,117 6.55,118 5.334,119 5.297,120 7.612,121 5.25,122 6.374,123 6.615,124 5.365,125 5.366,126 7.552,127 5.313,128 6.453,129 6.694,130 5.467,131 5.439,132 7.664,133 5.391,134 6.531,135 6.776,136 5.558,137 5.503,138 7.891,139 5.451,140 0.73,141 2.554,142 42.212,143 11.687,144 119.255,145 19.5,146 1.818,147 3.568,148 75.248,149 22.134,150 248.35,151 34.92,152 3.43,153 4.065,154 116.702,155 25.955,156 459.005,157 45.163,158 3.42,159 4.276,160 128.252,161 28.399,162 503.582,163 49.006,164 4.212,165 4.505,166 134.135,167 31.055,168 699.531,169 52.165,170 4.164,171 4.828,172 142.692,173 33.504,174 596.043,175 55.736,176 4.27,177 5.206,178 154.142,179 36.263,180 637.208,181 60.627,182 5.243,183 5.547,184 167.32,185 38.519,186 897.443,187 65.364,188 793,189 124,190 0.491,191 0.63,192 0.696,193 0.722,194 0.743,195 4.533,196 0.936,197 3.17,198 2.86,199 2.35,200 27.5,202 14,204 7,205 9,206 1,207 1,208 1,209 1,211 8,212 6,213 1,214 1,215 7,216 7,217 7,218 1,219 1,221 4,222 1,223 1,224 9,225 18,226 14,227 12,231 3,232 7,234 1,235 11,236 7,241 3,242 13,243 2,244 4,245 1,246 1,247 6,248 7,249 9,252 8,253 18,254 2,255 7,256 1,257 6,258 1,260 1,261 14,262 11,263 12,268 3,269 1,270 10,271 13,272 2,273 7,274 6,276 1,278 6,279 7,281 6,282 19,283 18,284 2,285 7,286 1,288 1,289 8,291 7,292 24,293 11,295 1,296 1,297 1,298 37844,299 59.416,300 59.416,301 59.416,302 59.416,303 59.416,304 55.878,305 78.964,306 36.058,307 60.951,308 46.306,309 46.306,310 46.306,311 46.306,312 46.306,313 40.465,314 82.757,315 17.175,316 48.71,317 5.806,318 3.745,319 2.676,320 2.176,321 1.974,322 1.815,323 5.207,324 5112,325 9.899,326 699.607,327 4.114,328 200.788,329 0.17,330 0.33,331 0.36,332 211,333 2519,334 4.643,335 3.866,336 6.947,337 4.243,338 3.316,339 4.581,340 2.376,341 11.682,342 3.07,343 4.226,344 4.721}
{0 CHEMBL611127,1 27,2 3.653,3 3.362,4 3.052,5 1.028,6 0.932,7 41.94,8 1.897,9 12,10 23,11 0.871,12 1.126,13 1.179,14 0.021,15 -0.132,16 0.261,17 1.986,18 1.312,19 1.997,20 1.795,21 1.744,22 1.967,23 1.298,24 1.97,25 1.765,26 1.949,27 1.284,28 1.935,29 1.273,30 1.927,31 1.266,32 1.155,33 0.587,34 0.161,35 22,36 470.564,37 710.175,38 3.641,39 48.254,40 36.425,41 0.131,42 1.862,43 1343.03,44 457.09,45 6,46 19,47 18,48 6,49 0.03,50 364.904,51 1.797,52 1.718,53 1.744,54 1.724,55 1.934,56 1.948,57 0.675,58 -0.187,59 0.18,60 0.15,61 0.003,62 1.768,63 11,64 0.893,65 0.223,66 10,67 11,68 7,69 9,70 1.64,71 1.367,72 27,73 682.724,74 406.74,75 647.411,76 682.724,77 747.609,78 682.724,79 682.724,80 109.913,81 682.724,82 33.861,83 0.107,84 1.042,85 1.749,86 31.972,87 -9.517,88 90.568,89 370.427,90 7.414,91 0.092,92 5.41,93 5.564,94 4.897,95 4.713,96 6.654,97 4.747,98 5.935,99 6.126,100 5.259,101 5.113,102 7.23,103 5.099,104 6.304,105 6.539,106 5.375,107 5.299,108 7.522,109 5.271,110 6.411,111 6.644,112 5.444,113 5.372,114 7.706,115 5.346,116 6.447,117 6.676,118 5.505,119 5.432,120 7.78,121 5.402,122 6.517,123 6.745,124 5.583,125 5.505,126 7.825,127 5.473,128 6.606,129 6.834,130 5.667,131 5.572,132 7.901,133 5.549,134 6.67,135 6.897,136 5.769,137 5.63,138 8.152,139 5.605,140 1.002,141 2.867,142 45.682,143 13.25,144 162.325,145 21.194,146 2.364,147 4.047,148 82.226,149 24.769,150 344.93,151 38.341,152 4.231,153 4.645,154 130.718,155 29.206,156 596.162,157 49.752,158 5.19,159 4.897,160 148.471,161 32.394,162 787.706,163 54.372,164 5.268,165 5.187,166 152.429,167 35.34,168 897.844,169 58.29,170 5.617,171 5.568,172 163.115,173 38.497,174 887.948,175 62.923,176 6.101,177 5.96,178 179.667,179 40.965,180 923.657,181 67.322,182 7.243,183 6.323,184 191.253,185 43.513,186 1284.2,187 72.322,188 1216,189 146,190 0.492,191 0.642,192 0.713,193 0.741,194 0.762,195 4.683,196 0.914,197 -1.38,198 -1.46,199 -1.52,200 27.8,201 1,202 12,203 2,204 8,205 10,206 1,207 1,208 1,209 1,211 12,212 6,213 1,214 1,215 7,216 7,217 7,218 3,219 3,220 2,221 4,222 4,223 1,224 13,225 18,226 19,227 12,231 3,232 7,233 2,234 1,235 12,236 8,237 4,241 5,242 15,243 2,244 12,245 7,246 2,247 6,248 8,249 8,250 2,252 7,253 19,254 2,255 6,256 4,257 6,258 5,259 2,260 1,261 19,262 12,263 19,264 1,266 1,268 5,269 4,270 14,271 15,272 7,273 7,274 6,276 1,278 8,279 9,280 1,281 6,282 25,283 17,284 3,285 7,286 2,288 4,289 10,290 2,291 7,292 29,293 13,294 1,295 1,296 3,298 56243,299 68.468,300 68.468,301 68.468,302 68.468,303 68.468,304 64.33,305 88.973,306 40.968,307 70.077,308 53.577,309 53.577,310 53.577,311 53.577,312 53.577,313 46.675,314 90.356,315 19.371,316 56.048,317 5.931,318 3.819,319 2.644,320 2.082,321 1.87,322 1.705,323 5.353,324 6931,325 10.954,326 837.06,327 4.834,328 263.872,329 0.17,330 0.17,331 0.34,332 248,333 3421,334 4.643,335 3.975,336 6.948,337 4.243,338 3.316,339 4.581,340 2.453,341 11.682,342 3.072,343 4.23,344 4.301}