@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL4915

@attribute molecule_id {CHEMBL203050,CHEMBL221186,CHEMBL2313334,CHEMBL2313335,CHEMBL2313338,CHEMBL2313626,CHEMBL2313627,CHEMBL443156,CHEMBL444662,CHEMBL457221,CHEMBL457430,CHEMBL458489,CHEMBL502001,CHEMBL503116,CHEMBL505576,CHEMBL509180,CHEMBL509915,CHEMBL516152,CHEMBL52011}
@attribute GATS4i numeric
@attribute MATS2e numeric
@attribute MATS4i numeric
@attribute GATS2s numeric
@attribute CATS2D_08_AL numeric
@attribute MATS4p numeric
@attribute MATS7i numeric
@attribute GATS8m numeric
@attribute MATS6m numeric
@attribute SdssC numeric
@attribute GATS1s numeric
@attribute GATS7e numeric
@attribute AAC numeric
@attribute AECC 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.005 numeric
@attribute C.006 numeric
@attribute C.008 numeric
@attribute C.009 numeric
@attribute C.024 numeric
@attribute C.025 numeric
@attribute C.026 numeric
@attribute C.028 numeric
@attribute C.033 numeric
@attribute C.040 numeric
@attribute CATS2D_01_AA numeric
@attribute CATS2D_01_AP numeric
@attribute CATS2D_01_LL numeric
@attribute CATS2D_01_PN numeric
@attribute CATS2D_02_AA numeric
@attribute CATS2D_02_AL numeric
@attribute CATS2D_02_AN 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_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_DD numeric
@attribute CATS2D_04_DL numeric
@attribute CATS2D_04_LL numeric
@attribute CATS2D_04_NL numeric
@attribute CATS2D_05_AA numeric
@attribute CATS2D_05_AL numeric
@attribute CATS2D_05_AP numeric
@attribute CATS2D_05_DA numeric
@attribute CATS2D_05_DD numeric
@attribute CATS2D_05_DL numeric
@attribute CATS2D_05_LL numeric
@attribute CATS2D_06_AA numeric
@attribute CATS2D_06_AL numeric
@attribute CATS2D_06_AN numeric
@attribute CATS2D_06_DA numeric
@attribute CATS2D_06_DD numeric
@attribute CATS2D_06_DL numeric
@attribute CATS2D_06_LL numeric
@attribute CATS2D_07_AA numeric
@attribute CATS2D_07_AL numeric
@attribute CATS2D_07_AP numeric
@attribute CATS2D_07_DA numeric
@attribute CATS2D_07_DD numeric
@attribute CATS2D_07_DL numeric
@attribute CATS2D_07_LL numeric
@attribute CATS2D_08_AA numeric
@attribute CATS2D_08_AN numeric
@attribute CATS2D_08_AP numeric
@attribute CATS2D_08_DA numeric
@attribute CATS2D_08_DD numeric
@attribute CATS2D_08_DL numeric
@attribute CATS2D_08_DP numeric
@attribute CATS2D_08_LL numeric
@attribute CATS2D_09_AA numeric
@attribute CATS2D_09_AL numeric
@attribute CATS2D_09_AN numeric
@attribute CATS2D_09_DA numeric
@attribute CATS2D_09_DD numeric
@attribute CATS2D_09_DL numeric
@attribute CATS2D_09_DN numeric
@attribute CATS2D_09_DP numeric
@attribute CATS2D_09_LL 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 cRo5 numeric
@attribute CSI numeric
@attribute DBI numeric
@attribute D.Dtr05 numeric
@attribute D.Dtr06 numeric
@attribute D.Dtr09 numeric
@attribute D.Dtr10 numeric
@attribute DECC numeric
@attribute DELS numeric
@attribute DLS_01 numeric
@attribute DLS_02 numeric
@attribute DLS_03 numeric
@attribute DLS_04 numeric
@attribute DLS_05 numeric
@attribute DLS_06 numeric
@attribute DLS_07 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 Eig04_EA.ri. numeric
@attribute Eig05_AEA.bo. numeric
@attribute Eig05_AEA.dm. numeric
@attribute Eig05_AEA.ed. numeric
@attribute Eig05_AEA.ri. numeric
@attribute Eig05_EA numeric
@attribute Eig05_EA.bo. numeric
@attribute Eig05_EA.dm. numeric
@attribute Eig05_EA.ed. numeric
@attribute Eig05_EA.ri. numeric
@attribute Eig06_AEA.bo. numeric
@attribute Eig06_AEA.dm. numeric
@attribute Eig06_AEA.ed. numeric
@attribute Eig06_AEA.ri. numeric
@attribute Eig06_EA numeric
@attribute Eig06_EA.bo. numeric
@attribute Eig06_EA.dm. numeric
@attribute Eig06_EA.ed. numeric
@attribute Eig06_EA.ri. numeric
@attribute Eig07_AEA.bo. numeric
@attribute Eig07_AEA.dm. numeric
@attribute Eig07_AEA.ed. numeric
@attribute Eig07_AEA.ri. numeric
@attribute Eig07_EA numeric
@attribute Eig07_EA.bo. numeric
@attribute Eig07_EA.dm. numeric
@attribute Eig07_EA.ed. numeric
@attribute Eig07_EA.ri. numeric
@attribute Eig08_AEA.bo. numeric
@attribute Eig08_AEA.dm. numeric
@attribute Eig08_AEA.ed. numeric
@attribute Eig08_AEA.ri. numeric
@attribute Eig08_EA numeric
@attribute Eig08_EA.bo. numeric
@attribute Eig08_EA.dm. numeric
@attribute Eig08_EA.ed. numeric
@attribute Eig08_EA.ri. numeric
@attribute Eig09_AEA.bo. numeric
@attribute Eig09_AEA.dm. numeric
@attribute Eig09_AEA.ed. numeric
@attribute Eig09_AEA.ri. numeric
@attribute Eig09_EA numeric
@attribute Eig09_EA.bo. numeric
@attribute Eig09_EA.dm. numeric
@attribute Eig09_EA.ed. numeric
@attribute Eig09_EA.ri. numeric
@attribute Eig10_AEA.bo. numeric
@attribute Eig10_AEA.dm. numeric
@attribute Eig10_AEA.ed. numeric
@attribute Eig10_AEA.ri. numeric
@attribute Eig10_EA numeric
@attribute Eig10_EA.bo. numeric
@attribute Eig10_EA.dm. numeric
@attribute Eig10_EA.ed. numeric
@attribute Eig10_EA.ri. numeric
@attribute pXC50 numeric

@data
{1 1.025,2 -0.127,3 -0.023,4 0.92,5 3,6 -0.022,7 -0.1,8 0.975,9 -0.05,11 1.012,12 1.093,13 1.601,14 12.229,15 -1.638,16 2.683,17 116.338,18 8.2,19 0.289,20 4.288,21 4.349,22 3.995,23 3.735,24 5.459,25 3.743,26 4.871,27 4.955,28 4.394,29 4.164,30 6.145,31 4.173,32 5.277,33 5.405,34 4.65,35 4.366,36 6.723,37 4.36,38 5.364,39 5.512,40 4.594,41 4.367,42 6.779,43 4.347,44 5.348,45 5.511,46 4.535,47 4.313,48 6.75,49 4.297,50 5.309,51 5.467,52 4.475,53 4.274,54 6.807,55 4.267,56 5.283,57 5.457,58 4.387,59 4.25,60 6.619,61 4.231,62 5.283,63 5.471,64 4.323,65 4.167,66 6.687,67 4.13,68 0.467,69 0.835,70 15.346,71 7.063,72 84.368,73 7.088,74 1.087,75 1.364,76 27.701,77 11.549,78 167.293,79 12.117,80 2.54,81 1.798,82 49.554,83 15.705,84 303.428,85 17.704,86 2.665,87 1.875,88 56.882,89 16.537,90 366.391,91 18.77,92 2.642,93 1.806,94 58.915,95 15.91,96 366.948,97 18.499,98 2.65,99 1.725,100 52.203,101 14.87,102 375.943,103 17.636,104 2.144,105 1.709,106 50.186,107 14.662,108 313.795,109 17.907,110 2.545,111 1.619,112 52.567,113 14.088,114 351.294,115 17.585,116 86,117 57,118 0.258,119 0.537,120 0.692,121 0.836,122 0.901,123 0.939,124 3.589,125 0.983,126 0.98,127 0.78,128 0.48,129 34.9,133 2,134 8,135 2,136 7,137 2,138 1,144 9,146 2,151 12,152 3,153 4,154 7,155 3,157 10,160 6,161 7,162 2,164 4,166 1,167 6,169 5,170 2,171 2,172 1,173 2,174 6,176 5,177 3,178 4,181 6,183 1,184 3,185 6,187 2,190 2,191 4,192 6,196 4,198 2,199 4,200 5,204 1995,205 22.996,206 22.996,207 22.996,208 22.996,209 22.996,210 21.489,211 15.54,212 12.808,213 23.66,214 18.474,215 18.474,216 18.474,217 18.474,218 18.474,219 16.136,220 16.099,221 5.796,222 19.798,223 4.377,224 2.645,225 1.689,226 0.792,227 0.393,228 0.159,229 4.273,231 914,232 3.937,234 453.329,236 177.667,237 2.121,238 93.634,239 0.25,240 0.33,241 0.5,242 0.6,243 1,244 0.33,245 0.5,246 0.5,247 82,248 428,249 4.957,250 5.385,251 7.734,252 4.436,253 3.573,254 4.79,255 3.379,256 13.962,257 3.086,258 4.355,259 3.618,260 6.706,261 4.122,262 3.175,263 4.249,264 1.392,265 10.701,266 2.992,267 4.183,268 3.478,269 6.614,270 3.971,271 3.027,272 3.192,273 0.751,274 10.309,275 2.879,276 4.047,277 3.096,278 6.176,279 3.813,280 2.833,281 3.07,282 0.532,283 9.142,284 2.701,285 3.43,286 2.819,287 5.898,288 3.35,289 2.4,290 2.624,292 7.835,293 2.272,294 3.314,295 2.702,296 5.778,297 3.193,298 2.259,299 2.427,301 7.376,302 2.094,303 3.199,304 2.594,305 5.362,306 2.979,307 2.055,308 2.39,310 6.229,311 1.886,312 3.118,313 2.571,314 5.251,315 2.845,316 1.922,317 2.248,319 6.042,320 1.762,321 3.049,322 1.934,323 4.63,324 2.618,325 1.618,326 2.057,328 4.552,329 1.618,330 2.874,331 1.618,332 4.402,333 2.509,334 1.548,335 2.014,337 4.174,338 1.472,339 4.398}
{0 CHEMBL221186,1 0.912,2 -0.069,3 0.051,4 0.652,5 24,6 0.126,7 -0.041,8 1.041,9 0.272,10 -1.009,11 0.603,12 1.754,13 1.496,14 18.647,15 5.48,16 30.035,17 268.693,18 6.695,19 0.333,20 5.001,21 5.134,22 4.459,23 4.452,24 6.034,25 4.424,26 5.573,27 5.785,28 4.768,29 4.828,30 6.543,31 4.779,32 5.802,33 5.994,34 4.906,35 5.049,36 6.847,37 4.964,38 6.019,39 6.264,40 4.947,41 5.146,42 6.89,43 5.044,44 6.011,45 6.228,46 5.101,47 5.234,48 6.981,49 5.155,50 6.14,51 6.359,52 5.309,53 5.348,54 7.178,55 5.289,56 6.183,57 6.342,58 5.338,59 5.44,60 7.325,61 5.388,62 6.342,63 6.556,64 5.345,65 5.52,66 7.288,67 5.436,68 0.06,69 1.983,70 32.736,71 12.581,72 19.335,73 17.993,74 0.875,75 3.036,76 61.652,77 19.35,78 68.341,79 28.869,80 1.325,81 3.671,82 77.061,83 27.849,84 140.597,85 38.91,86 1.118,87 4.129,88 97.213,89 33.342,90 126.917,91 47.668,92 1.094,93 4.432,94 95.138,95 33.4,96 120.6,97 47.579,98 1.457,99 4.907,100 108.861,101 38.479,102 146.572,103 54.214,104 1.364,105 5.33,106 113.54,107 39.416,108 239.05,109 53.348,110 1.713,111 5.886,112 134.191,113 46.413,114 181.397,115 64.752,116 257,117 96,118 0.204,119 0.432,120 0.551,121 0.578,122 0.578,123 0.578,124 4.236,125 0.969,126 -2.54,127 -2.56,128 -2.5,129 37.1,131 4,132 8,133 12,136 12,137 8,138 4,141 4,144 24,147 8,149 4,151 28,152 4,153 16,154 8,157 32,160 12,164 32,166 4,167 16,171 8,172 32,173 8,174 32,178 16,179 36,181 28,185 12,186 40,192 8,194 30,195 8,196 40,198 8,200 16,203 16,204 11304,205 45.103,206 45.103,207 45.103,208 45.103,209 45.103,210 41.476,211 65.683,212 27.336,213 46.13,214 35.591,215 35.591,216 35.591,217 35.591,218 35.591,219 29.779,220 83.649,221 13.093,222 37.107,223 5.633,224 3.966,225 3.093,226 2.9,227 2.9,228 2.9,229 4.93,231 2616,232 7.071,234 559.493,237 2.803,238 77.583,239 0.5,240 0.5,241 0.5,242 0.8,243 1,244 0.33,246 0.52,247 148,248 1268,249 4.484,250 3.623,251 6.618,252 4.129,253 3.151,254 4.141,255 2.03,256 10.628,257 3.08,258 4.381,259 3.614,260 6.521,261 4.012,262 3.037,263 4.031,264 2.03,265 10.277,266 2.959,267 4.381,268 3.614,269 6.521,270 4.012,271 3.037,272 4.031,273 2.03,274 10.277,275 2.959,276 4.232,277 3.61,278 6.39,279 3.822,280 2.858,281 3.883,282 2.03,283 9.778,284 2.754,285 3.655,286 3.431,287 5.473,288 3.371,289 2.387,290 2.845,291 0.892,292 7.146,293 2.34,294 3.654,295 3.316,296 5.191,297 3.37,298 2.386,299 2.826,300 0.892,301 6.229,302 2.339,303 3.654,304 3.316,305 5.191,306 3.37,307 2.386,308 2.826,309 0.892,310 6.229,311 2.339,312 3.65,313 3.102,314 5.043,315 3.361,316 2.375,317 2.826,318 0.892,319 6.114,320 2.333,321 3.568,322 2.698,323 5.037,324 3.303,325 2.303,326 2.824,327 0.8,328 6.094,329 2.303,330 3.296,331 2.578,332 5.034,333 3.103,334 2.179,335 2.549,336 0.8,337 6.026,338 2.005,339 5.301}
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{0 CHEMBL516152,1 1.054,2 -0.079,3 -0.034,4 0.869,5 7,6 -0.034,7 -0.01,8 0.976,9 -0.042,10 -1.074,11 0.922,12 1.092,13 1.598,14 12.487,15 -1.816,16 3.296,17 131.913,18 7.543,19 0.262,20 4.412,21 4.503,22 3.945,23 3.805,24 5.578,25 3.833,26 4.989,27 5.115,28 4.35,29 4.215,30 6.146,31 4.23,32 5.338,33 5.498,34 4.574,35 4.418,36 6.585,37 4.423,38 5.465,39 5.64,40 4.594,41 4.469,42 6.702,43 4.469,44 5.528,45 5.705,46 4.631,47 4.483,48 6.912,49 4.478,50 5.538,51 5.735,52 4.547,53 4.488,54 6.81,55 4.461,56 5.531,57 5.734,58 4.528,59 4.503,60 6.729,61 4.469,62 5.541,63 5.745,64 4.56,65 4.481,66 6.841,67 4.452,68 0.361,69 0.971,70 15.876,71 6.937,72 51.611,73 8.351,74 1.085,75 1.534,76 31.517,77 11.159,78 112.028,79 14.041,80 2.086,81 1.964,82 48.297,83 14.409,84 207.757,85 19.168,86 2.227,87 2.115,88 56.262,89 15.761,90 249.641,91 21.253,92 2.838,93 2.167,94 61.252,95 16.388,96 334.98,97 22.452,98 2.577,99 2.18,100 62.586,101 16.915,102 306.773,103 23.405,104 2.223,105 2.2,106 61.617,107 17.356,108 280.025,109 24.032,110 2.385,111 2.188,112 62.353,113 17.27,114 296.729,115 24.22,116 99,117 60,118 0.25,119 0.569,120 0.761,121 0.867,122 0.911,123 0.936,124 3.693,125 0.893,126 0.44,127 0.27,128 0.03,129 35.6,130 1,132 1,133 2,134 8,135 2,136 7,137 3,141 2,144 11,146 2,147 2,149 2,150 2,151 14,152 1,153 2,154 8,155 3,156 2,157 12,160 3,161 6,162 2,163 3,164 6,166 4,167 5,169 7,170 2,171 6,172 2,173 3,174 4,176 3,177 3,178 5,180 1,181 4,183 2,184 3,185 7,187 1,190 4,191 4,192 9,195 1,196 7,198 3,199 4,200 7,204 2958,205 26.093,206 26.093,207 26.093,208 26.093,209 26.093,210 24.508,211 23.192,212 14.985,213 26.434,214 20.46,215 20.46,216 20.46,217 20.46,218 20.46,219 18.074,220 27.207,221 6.764,222 21.157,223 4.592,224 2.554,225 1.333,226 0.654,227 0.377,228 0.212,229 4.381,231 1028,232 4.301,234 489.435,236 186.421,237 1.988,238 83.932,239 0.25,240 0.5,241 0.5,242 0.6,243 1,244 0.33,245 0.5,246 0.53,247 90,248 487,249 4.551,250 3.673,251 6.8,252 4.202,253 3.245,254 4.468,255 1.907,256 11.146,257 3.134,258 4.242,259 3.62,260 6.732,261 4.135,262 3.164,263 3.294,264 1.392,265 10.88,266 3.068,267 4.149,268 3.51,269 6.642,270 4.059,271 3.074,272 3.222,273 1.392,274 10.596,275 2.984,276 3.793,277 3.404,278 6.016,279 3.513,280 2.553,281 3.097,282 1.058,283 8.494,284 2.449,285 3.624,286 2.953,287 5.796,288 3.414,289 2.42,290 2.726,291 0.532,292 7.585,293 2.395,294 3.405,295 2.864,296 5.674,297 3.296,298 2.339,299 2.435,300 0.532,301 7.462,302 2.229,303 3.288,304 2.668,305 5.343,306 3.118,307 2.136,308 2.427,309 0.149,310 6.508,311 2.1,312 3.139,313 2.554,314 5.257,315 2.996,316 2.028,317 2.312,319 6.198,320 1.938,321 3.118,322 2.51,323 4.643,324 2.938,325 1.98,326 2.225,328 4.987,329 1.87,330 3.043,331 1.85,332 4.498,333 2.618,334 1.618,335 2.054,337 4.224,338 1.618,339 4.602}
{0 CHEMBL52011,1 1.081,2 -0.242,3 -0.022,4 1.031,6 -0.028,7 0.009,8 0.813,9 -0.053,11 1.182,12 1.03,13 1.617,14 8.13,15 -3.516,16 12.359,17 74.511,18 7.965,20 3.956,21 4.024,22 3.538,23 3.276,24 5.171,25 3.301,26 4.534,27 4.626,28 4.019,29 3.72,30 5.705,31 3.73,32 4.955,33 5.095,34 4.306,35 3.935,36 6.441,37 3.918,38 5.011,39 5.178,40 4.175,41 3.928,42 6.407,43 3.856,44 4.891,45 5.082,46 3.982,47 3.763,48 6.192,49 3.689,50 4.735,51 4.925,52 3.739,53 3.588,54 6.087,55 3.564,56 4.713,57 4.892,58 3.71,59 3.517,60 6.118,61 3.528,62 4.68,63 4.876,64 3.56,65 3.428,66 6.165,67 3.411,68 0.481,69 0.548,70 11.021,71 4.642,72 79.716,73 5.145,74 0.884,75 0.873,76 24.063,77 7.619,78 134.215,79 8.904,80 2.114,81 1.099,82 40.243,83 10.075,84 274.489,85 12.609,86 2.195,87 1.1,88 47.919,89 10.624,90 293.772,91 13.348,92 1.792,93 0.938,94 46.336,95 8.986,96 244.674,97 12.071,98 1.61,99 0.788,100 32.823,101 7.091,102 221.527,103 10.082,104 1.723,105 0.733,106 28.434,107 6.177,108 224.239,109 9.151,110 1.607,111 0.675,112 27.873,113 5.818,114 252.051,115 8.977,116 69,117 35,118 0.293,119 0.466,120 0.618,121 0.731,122 0.785,123 0.801,124 3.189,125 1.003,126 2.76,127 2.47,128 2,129 26.7,133 2,134 8,135 2,147 2,154 6,155 4,156 2,159 1,161 2,162 4,163 2,169 2,170 2,171 4,176 2,177 3,183 4,184 2,191 5,199 4,204 656,205 14.861,206 14.861,207 14.861,208 14.861,209 14.861,210 14.861,211 11.231,212 8.19,213 15.471,214 11.54,215 11.54,216 11.54,217 11.54,218 11.54,219 11.54,220 10.323,221 3.608,222 12.81,223 3.874,224 2.918,225 2.078,226 1.456,227 1.156,228 1.067,229 3.837,230 1,231 376,232 2.828,234 157.033,237 1.104,238 65.013,239 0.75,240 0.5,241 0.83,242 0.8,243 1,244 0.67,245 0.5,246 0.72,247 56,248 187,249 4.195,250 4.683,251 6.692,252 4.107,253 3.195,254 3.195,255 3.679,256 10.621,257 2.912,258 4.107,259 3.652,260 6.633,261 4.037,262 3.107,263 3.107,264 1.217,265 10.363,266 2.879,267 3.482,268 3.246,269 5.907,270 3.377,271 2.482,272 2.482,273 0.487,274 8.037,275 2.21,276 3.303,277 2.947,278 5.759,279 3.234,280 2.303,281 2.303,283 7.411,284 2.128,285 3.104,286 2.601,287 5.329,288 2.982,289 2.104,290 2.104,292 6.365,293 1.812,294 2.921,295 2.59,296 5.156,297 2.792,298 1.921,299 1.921,301 5.846,302 1.656,303 2,304 1.905,305 3.913,306 1.854,307 1,308 1,310 2.432,311 0.84,312 1.816,313 1.634,314 3.581,315 1.677,316 0.816,317 0.816,319 1.694,320 0.693,321 1.376,322 1.299,323 3.075,324 1.192,325 0.376,326 0.376,328 0.717,329 0.303,330 1.292,331 1.163,332 3.071,333 1.115,334 0.292,335 0.292,337 0.655,338 0.239,339 4.364}