@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL4282

@attribute molecule_id 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HEMBL440560,CHEMBL442718,CHEMBL442919,CHEMBL443620,CHEMBL443633,CHEMBL443661,CHEMBL443962,CHEMBL444136,CHEMBL444165,CHEMBL444400,CHEMBL444649,CHEMBL444730,CHEMBL445038,CHEMBL445180,CHEMBL445212,CHEMBL445464,CHEMBL445813,CHEMBL446134,CHEMBL446779,CHEMBL446829,CHEMBL446966,CHEMBL447044,CHEMBL447114,CHEMBL447168,CHEMBL447328,CHEMBL447348,CHEMBL447558,CHEMBL447602,CHEMBL447960,CHEMBL448003,CHEMBL448196,CHEMBL448803,CHEMBL448826,CHEMBL448926,CHEMBL448991,CHEMBL449200,CHEMBL449564,CHEMBL449678,CHEMBL449964,CHEMBL449989,CHEMBL450225,CHEMBL450266,CHEMBL450487,CHEMBL450545,CHEMBL450772,CHEMBL450786,CHEMBL451291,CHEMBL451401,CHEMBL451523,CHEMBL451961,CHEMBL451964,CHEMBL452598,CHEMBL452823,CHEMBL453288,CHEMBL453510,CHEMBL453586,CHEMBL453737,CHEMBL453745,CHEMBL453995,CHEMBL454210,CHEMBL454440,CHEMBL454859,CHEMBL455071,CHEMBL455226,CHEMBL456294,CHEMBL456936,CHEMBL458997,CHEMBL459729,CHEMBL460472,CHEMBL461139,CHEMBL461140,CHEMBL462120,CHEMBL463119,CHEMBL464351,CHEMBL464552,CHEMBL466154,CHEMBL467321,CHEMBL468280,CHEMBL469357,CHEMBL469523,CHEMBL469560,CHEMBL469561,CHEMBL469590,CHEMBL469591,CHEMBL469781,CHEMBL469802,CHEMBL470192,CHEMBL470200,CHEMBL470202,CHEMBL470409,CHEMBL470410,CHEMBL470596,CHEMBL470597,CHEMBL470598,CHEMBL470620,CHEMBL471034,CHEMBL471059,CHEMBL472291,CHEMBL474000,CHEMBL474390,CHEMBL474391,CHEMBL474425,CHEMBL474432,CHEMBL475251,CHEMBL475400,CHEMBL475401,CHEMBL475826,CHEMBL475840,CHEMBL476124,CHEMBL477772,CHEMBL481491,CHEMBL481545,CHEMBL482336,CHEMBL482536,CHEMBL482537,CHEMBL482767,CHEMBL482967,CHEMBL483158,CHEMBL483321,CHEMBL484390,CHEMBL484967,CHEMBL484968,CHEMBL485213,CHEMBL485214,CHEMBL485215,CHEMBL485556,CHEMBL486813,CHEMBL488428,CHEMBL488654,CHEMBL489058,CHEMBL489083,CHEMBL491473,CHEMBL491758,CHEMBL492251,CHEMBL493066,CHEMBL493067,CHEMBL493250,CHEMBL493251,CHEMBL493269,CHEMBL493359,CHEMBL493360,CHEMBL493874,CHEMBL493875,CHEMBL493911,CHEMBL494060,CHEMBL494088,CHEMBL494089,CHEMBL494662,CHEMBL494882,CHEMBL496690,CHEMBL497151,CHEMBL498051,CHEMBL498052,CHEMBL499554,CHEMBL499555,CHEMBL499683,CHEMBL499961,CHEMBL500993,CHEMBL501612,CHEMBL502113,CHEMBL502393,CHEMBL502426,CHEMBL502854,CHEMBL503270,CHEMBL503652,CHEMBL503810,CHEMBL503980,CHEMBL504251,CHEMBL504537,CHEMBL504547,CHEMBL504950,CHEMBL505490,CHEMBL505637,CHEMBL505758,CHEMBL505848,CHEMBL505896,CHEMBL506077,CHEMBL506153,CHEMBL506434,CHEMBL506827,CHEMBL507059,CHEMBL507204,CHEMBL507936,CHEMBL508098,CHEMBL508754,CHEMBL508794,CHEMBL508861,CHEMBL508928,CHEMBL50894,CHEMBL509032,CHEMBL509490,CHEMBL509747,CHEMBL510515,CHEMBL510540,CHEMBL512135,CHEMBL512148,CHEMBL512305,CHEMBL512480,CHEMBL512672,CHEMBL512858,CHEMBL513019,CHEMBL513216,CHEMBL513728,CHEMBL513846,CHEMBL513909,CHEMBL514499,CHEMBL514989,CHEMBL515982,CHEMBL516429,CHEMBL517163,CHEMBL517956,CHEMBL518060,CHEMBL519693,CHEMBL519697,CHEMBL520788,CHEMBL521179,CHEMBL521638,CHEMBL521642,CHEMBL521823,CHEMBL521851,CHEMBL522351,CHEMBL522892,CHEMBL522996,CHEMBL523057,CHEMBL523523,CHEMBL523586,CHEMBL523695,CHEMBL523823,CHEMBL523859,CHEMBL52387,CHEMBL524266,CHEMBL524998,CHEMBL525077,CHEMBL525191,CHEMBL526133,CHEMBL535,CHEMBL535331,CHEMBL539474,CHEMBL553,CHEMBL554,CHEMBL558752,CHEMBL560813,CHEMBL561708,CHEMBL562488,CHEMBL564795,CHEMBL564829,CHEMBL564972,CHEMBL565061,CHEMBL565612,CHEMBL569880,CHEMBL571040,CHEMBL572400,CHEMBL572417,CHEMBL572418,CHEMBL572629,CHEMBL572670,CHEMBL572859,CHEMBL572878,CHEMBL572881,CHEMBL572884,CHEMBL572905,CHEMBL572907,CHEMBL572908,CHEMBL573096,CHEMBL573133,CHEMBL573326,CHEMBL573334,CHEMBL573339,CHEMBL573355,CHEMBL573359,CHEMBL573393,CHEMBL573394,CHEMBL573592,CHEMBL573778,CHEMBL574087,CHEMBL574262,CHEMBL574268,CHEMBL574269,CHEMBL574289,CHEMBL574290,CHEMBL574476,CHEMBL574646,CHEMBL574738,CHEMBL574764,CHEMBL574774,CHEMBL574978,CHEMBL574979,CHEMBL574986,CHEMBL574995,CHEMBL575384,CHEMBL575385,CHEMBL575427,CHEMBL575428,CHEMBL575631,CHEMBL575646,CHEMBL575811,CHEMBL575824,CHEMBL575838,CHEMBL576135,CHEMBL576348,CHEMBL576372,CHEMBL576386,CHEMBL576565,CHEMBL576733,CHEMBL576761,CHEMBL576982,CHEMBL577134,CHEMBL577186,CHEMBL577375,CHEMBL577377,CHEMBL577379,CHEMBL577567,CHEMBL577792,CHEMBL577795,CHEMBL577797,CHEMBL578061,CHEMBL578418,CHEMBL579053,CHEMBL579246,CHEMBL581848,CHEMBL583144,CHEMBL583705,CHEMBL583982,CHEMBL584181,CHEMBL589630,CHEMBL590109,CHEMBL591325,CHEMBL592030,CHEMBL592898,CHEMBL592965,CHEMBL593142,CHEMBL593374,CHEMBL593375,CHEMBL593490,CHEMBL593573,CHEMBL593813,CHEMBL593946,CHEMBL594072,CHEMBL594309,CHEMBL594310,CHEMBL594411,CHEMBL594412,CHEMBL594517,CHEMBL594523,CHEMBL594748,CHEMBL594749,CHEMBL594750,CHEMBL594755,CHEMBL594933,CHEMBL595347,CHEMBL595349,CHEMBL595459,CHEMBL595476,CHEMBL595581,CHEMBL595582,CHEMBL595583,CHEMBL595684,CHEMBL595685,CHEMBL595708,CHEMBL595709,CHEMBL595786,CHEMBL595939,CHEMBL595944,CHEMBL596072,CHEMBL596073,CHEMBL596290,CHEMBL596379,CHEMBL596583,CHEMBL597414,CHEMBL597754,CHEMBL597793,CHEMBL597803,CHEMBL598194,CHEMBL598842,CHEMBL599111,CHEMBL599224,CHEMBL599428,CHEMBL599448,CHEMBL599518,CHEMBL599849,CHEMBL600795,CHEMBL601719,CHEMBL602471,CHEMBL602472,CHEMBL603097,CHEMBL603197,CHEMBL603463,CHEMBL603675,CHEMBL603852,CHEMBL604060,CHEMBL604684,CHEMBL604712,CHEMBL605410,CHEMBL605528,CHEMBL605732,CHEMBL605733,CHEMBL605838,CHEMBL606245,CHEMBL606467,CHEMBL607374,CHEMBL607707,CHEMBL608154,CHEMBL609039,CHEMBL611046,CHEMBL611079,CHEMBL611216,CHEMBL6246,CHEMBL7064,CHEMBL86755,CHEMBL91829,CHEMBL939,CHEMBL941,CHEMBL95692}
@attribute CATS2D_06_AP numeric
@attribute NaaNH numeric
@attribute SpDiam_EA.bo. numeric
@attribute Eig01_EA.bo. numeric
@attribute SM11_AEA.ri. numeric
@attribute SpMax_EA.bo. numeric
@attribute NsssCH numeric
@attribute CATS2D_02_PL numeric
@attribute C.002 numeric
@attribute NaaaC numeric
@attribute CATS2D_07_PL numeric
@attribute DECC numeric
@attribute CATS2D_06_PL numeric
@attribute Eig04_EA.ed. numeric
@attribute SM13_AEA.dm. numeric
@attribute CATS2D_09_PL numeric
@attribute IC2 numeric
@attribute N.066 numeric
@attribute nRNH2 numeric
@attribute CATS2D_07_AA numeric
@attribute Eig13_AEA.ed. numeric
@attribute Eig01_EA.dm. numeric
@attribute SpMax_EA.dm. numeric
@attribute SsssCH numeric
@attribute SaaNH numeric
@attribute CATS2D_03_AP numeric
@attribute SpMin5_Bh.e. numeric
@attribute SpMin1_Bh.s. numeric
@attribute MATS3e numeric
@attribute Infective.50 numeric
@attribute SpMax2_Bh.e. numeric
@attribute GATS6v numeric
@attribute P_VSA_LogP_2 numeric
@attribute Hypnotic.80 numeric
@attribute SpMin5_Bh.i. numeric
@attribute SM03_EA.bo. numeric
@attribute nCconj numeric
@attribute nCs numeric
@attribute CATS2D_08_PL numeric
@attribute Eig06_EA.ed. numeric
@attribute SM15_AEA.dm. numeric
@attribute SpMin4_Bh.v. numeric
@attribute SpMin5_Bh.v. numeric
@attribute Eig13_AEA.bo. numeric
@attribute GATS6p numeric
@attribute ATSC7m numeric
@attribute DLS_05 numeric
@attribute SAdon numeric
@attribute Eig02_EA numeric
@attribute SM10_AEA.bo. numeric
@attribute Eig01_AEA.bo. numeric
@attribute SpMax_AEA.bo. numeric
@attribute SpMax4_Bh.e. numeric
@attribute Eig07_AEA.bo. numeric
@attribute Eig09_EA.ed. numeric
@attribute SM04_AEA.ri. numeric
@attribute Eig01_EA.ri. numeric
@attribute SpMax_EA.ri. numeric
@attribute Eig03_AEA.bo. numeric
@attribute SpMax5_Bh.p. numeric
@attribute Eig09_AEA.ed. numeric
@attribute SM12_EA.dm. numeric
@attribute ATSC6m numeric
@attribute Eig15_AEA.ed. numeric
@attribute nPyrroles numeric
@attribute CATS2D_05_PL numeric
@attribute P_VSA_e_3 numeric
@attribute SpMin2_Bh.s. numeric
@attribute SpMin4_Bh.m. numeric
@attribute Eig02_AEA.dm. numeric
@attribute SpMax5_Bh.v. numeric
@attribute ATSC4p numeric
@attribute NssCH2 numeric
@attribute Eta_C numeric
@attribute ATSC8m numeric
@attribute Eig12_AEA.dm. numeric
@attribute SpMin2_Bh.v. numeric
@attribute ATSC6v numeric
@attribute SpMin4_Bh.i. numeric
@attribute Eig13_AEA.dm. numeric
@attribute RBF numeric
@attribute SpMin3_Bh.v. numeric
@attribute Eig09_AEA.dm. numeric
@attribute SpMin4_Bh.e. numeric
@attribute SpMax4_Bh.i. numeric
@attribute Eig11_EA.bo. numeric
@attribute ATSC4m numeric
@attribute Si numeric
@attribute Eig13_EA.ed. numeric
@attribute SM08_AEA.ri. numeric
@attribute Eig13_EA.bo. numeric
@attribute ATS4i numeric
@attribute ATS4e numeric
@attribute ATS3e numeric
@attribute ATSC7p numeric
@attribute ATS2e numeric
@attribute ATS2i numeric
@attribute MATS4i numeric
@attribute N.073 numeric
@attribute Eig12_AEA.ed. numeric
@attribute ATSC6p numeric
@attribute SpMin2_Bh.p. numeric
@attribute SpMax2_Bh.m. numeric
@attribute P_VSA_MR_7 numeric
@attribute Eig04_EA.bo. numeric
@attribute SM14_AEA.ri. numeric
@attribute SpMax7_Bh.e. numeric
@attribute SpMin4_Bh.p. numeric
@attribute Eig14_AEA.dm. numeric
@attribute Eta_L numeric
@attribute ATS6e numeric
@attribute ON1V numeric
@attribute nPyridines numeric
@attribute S2K numeric
@attribute SAtot numeric
@attribute ATSC3m numeric
@attribute ATSC7v numeric
@attribute Eig14_EA.ed. numeric
@attribute SM09_AEA.ri. numeric
@attribute SpMin5_Bh.m. numeric
@attribute ATS7i numeric
@attribute ATS3i numeric
@attribute SpMin6_Bh.s. numeric
@attribute SRW09 numeric
@attribute Eig12_EA.ri. numeric
@attribute Eig10_AEA.bo. numeric
@attribute P_VSA_MR_5 numeric
@attribute nBT numeric
@attribute SpMax4_Bh.v. numeric
@attribute SpMin8_Bh.v. numeric
@attribute P_VSA_s_5 numeric
@attribute Yindex numeric
@attribute TIC4 numeric
@attribute TIC3 numeric
@attribute SM06_EA.dm. numeric
@attribute Eig11_AEA.bo. numeric
@attribute SpDiam_EA.dm. numeric
@attribute ATS7p numeric
@attribute SpMax5_Bh.e. numeric
@attribute ATSC5v numeric
@attribute CATS2D_03_LL numeric
@attribute S3K numeric
@attribute SpMin8_Bh.e. numeric
@attribute ATSC3p numeric
@attribute SpMax2_Bh.v. numeric
@attribute VvdwZAZ numeric
@attribute SpMax7_Bh.i. numeric
@attribute PHI numeric
@attribute ATS7v numeric
@attribute ATS5e numeric
@attribute SpMin8_Bh.i. numeric
@attribute SpMin5_Bh.s. numeric
@attribute SsNH2 numeric
@attribute ATS2v numeric
@attribute SpMax5_Bh.i. numeric
@attribute SpMin8_Bh.p. numeric
@attribute SpMax4_Bh.p. numeric
@attribute ATS7e numeric
@attribute SpMAD_EA numeric
@attribute SpMin3_Bh.e. numeric
@attribute ATSC5p numeric
@attribute SpMax5_Bh.m. numeric
@attribute GATS2e numeric
@attribute SpMaxA_EA.bo. numeric
@attribute ATS4p numeric
@attribute Eig13_EA numeric
@attribute SM07_AEA.dm. numeric
@attribute CATS2D_01_DA numeric
@attribute ATS6i numeric
@attribute Eig13_EA.ri. numeric
@attribute Eig14_EA.ri. numeric
@attribute X5 numeric
@attribute Eig12_EA.bo. numeric
@attribute Sp numeric
@attribute SpMax3_Bh.v. numeric
@attribute ATSC3v numeric
@attribute ATS5i numeric
@attribute SM08_EA.bo. numeric
@attribute SM09_EA.bo. numeric
@attribute ATS1i numeric
@attribute C.006 numeric
@attribute VvdwMG numeric
@attribute Vx numeric
@attribute ATS6v numeric
@attribute ATS6p numeric
@attribute nR09 numeric
@attribute SM10_EA.dm. numeric
@attribute D.Dtr09 numeric
@attribute ATSC4v numeric
@attribute SM06_EA.ri. numeric
@attribute ATS8p numeric
@attribute X1Kup numeric
@attribute Psi_i_1 numeric
@attribute SpMin4_Bh.s. numeric
@attribute ATSC8p numeric
@attribute SpMin2_Bh.m. numeric
@attribute Eig11_EA.ri. numeric
@attribute Chi1_EA.bo. numeric
@attribute C.027 numeric
@attribute ATSC3i numeric
@attribute MATS6m numeric
@attribute SpMin7_Bh.m. numeric
@attribute Eig03_AEA.ri. numeric
@attribute X1MulPer numeric
@attribute PCD numeric
@attribute Eig12_AEA.ri. numeric
@attribute Eig02_AEA.ri. numeric
@attribute BID numeric
@attribute SpMin3_Bh.i. numeric
@attribute SpMin8_Bh.m. numeric
@attribute Eig14_AEA.ed. numeric
@attribute Eig10_EA.ed. numeric
@attribute SM05_AEA.ri. numeric
@attribute X1Per numeric
@attribute SpMax3_Bh.p. numeric
@attribute TIC5 numeric
@attribute Eig12_EA numeric
@attribute SM06_AEA.dm. numeric
@attribute Eta_alpha numeric
@attribute Xindex numeric
@attribute SpMax7_Bh.v. numeric
@attribute SaaaC numeric
@attribute Eig07_EA.bo. numeric
@attribute TIC2 numeric
@attribute C.031 numeric
@attribute SpMax1_Bh.e. numeric
@attribute Eta_C_A numeric
@attribute ATS5p numeric
@attribute X5sol numeric
@attribute ATS8v numeric
@attribute ATS1p numeric
@attribute P_VSA_MR_2 numeric
@attribute MPC03 numeric
@attribute nH numeric
@attribute SpMaxA_EA.ed. numeric
@attribute Eig03_EA.ed. numeric
@attribute SM12_AEA.dm. numeric
@attribute ATS1e numeric
@attribute SM08_EA.dm. numeric
@attribute Eig03_EA numeric
@attribute SM11_AEA.bo. numeric
@attribute CATS2D_07_DA numeric
@attribute SpMax1_Bh.s. numeric
@attribute Rperim numeric
@attribute ATS8e numeric
@attribute Eig01_AEA.ed. numeric
@attribute SpMax_AEA.ed. numeric
@attribute ISIZ numeric
@attribute nAT numeric
@attribute nCONN numeric
@attribute ATS1v numeric
@attribute Chi0_EA.bo. numeric
@attribute Eig11_AEA.dm. numeric
@attribute Psi_i_0 numeric
@attribute CATS2D_03_PL 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 MWC05 numeric
@attribute Eig11_AEA.ed. numeric
@attribute GATS2s numeric
@attribute Psi_e_A numeric
@attribute Psi_i_A numeric
@attribute nCsp3 numeric
@attribute C.008 numeric
@attribute SRW06 numeric
@attribute X1Mad numeric
@attribute Eig02_EA.ed. numeric
@attribute SM11_AEA.dm. numeric
@attribute Sv numeric
@attribute Uindex numeric
@attribute SpMax8_Bh.m. numeric
@attribute Eig12_EA.ed. numeric
@attribute SM07_AEA.ri. numeric
@attribute Eig06_AEA.dm. numeric
@attribute H.052 numeric
@attribute X4v numeric
@attribute X3 numeric
@attribute CSI numeric
@attribute O. numeric
@attribute Eig13_AEA.ri. numeric
@attribute SpMaxA_EA numeric
@attribute IDDM numeric
@attribute Chi0_EA.ri. numeric
@attribute Eig15_AEA.ri. numeric
@attribute nSK numeric
@attribute CATS2D_03_DP numeric
@attribute UNIP numeric
@attribute SpAD_AEA.bo. numeric
@attribute ATS4v numeric
@attribute P_VSA_m_2 numeric
@attribute SM06_AEA.bo. numeric
@attribute GGI10 numeric
@attribute X1 numeric
@attribute Eig07_EA.ri. numeric
@attribute SaaN numeric
@attribute S1K numeric
@attribute SpMaxA_AEA.ed. numeric
@attribute SpMaxA_AEA.bo. numeric
@attribute ATS3v numeric
@attribute IDM numeric
@attribute SpMax7_Bh.p. numeric
@attribute ATSC1v numeric
@attribute CID numeric
@attribute ATS3p numeric
@attribute H. numeric
@attribute SpMax6_Bh.m. numeric
@attribute ATSC2v numeric
@attribute Xt numeric
@attribute Eig11_EA numeric
@attribute SM05_AEA.dm. numeric
@attribute Eig08_AEA.dm. numeric
@attribute ATSC5m numeric
@attribute ATS2p numeric
@attribute ATS5v numeric
@attribute Eig10_EA.bo. numeric
@attribute Rbrid numeric
@attribute Eta_epsi_A numeric
@attribute Eig15_EA.ri. numeric
@attribute Se numeric
@attribute ATS8i numeric
@attribute X5v numeric
@attribute HDcpx numeric
@attribute Eig10_AEA.ri. numeric
@attribute P_VSA_LogP_5 numeric
@attribute RDCHI 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 ATSC8v numeric
@attribute ATSC1i numeric
@attribute SpMin5_Bh.p. numeric
@attribute ATS7m numeric
@attribute ATSC2p numeric
@attribute IVDM numeric
@attribute IC3 numeric
@attribute Eig15_EA.ed. numeric
@attribute SM10_AEA.ri. numeric
@attribute Eig10_EA.ri. numeric
@attribute X1sol numeric
@attribute IC4 numeric
@attribute SpMin6_Bh.p. numeric
@attribute Depressant.80 numeric
@attribute AECC numeric
@attribute TIC1 numeric
@attribute Eig04_AEA.ed. numeric
@attribute SpMax6_Bh.i. numeric
@attribute CATS2D_09_LL numeric
@attribute SpMax4_Bh.m. numeric
@attribute SpAD_AEA.ri. numeric
@attribute pXC50 numeric

@data
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{0 CHEMBL1081425,1 1,3 7.365,4 4.365,5 4.365,6 4.365,7 1,8 1,9 1,10 2,11 1,12 2.24,13 1,14 7.424,15 7.424,16 2,17 4.645,18 1,19 1,20 1,21 3.169,22 3.825,23 3.825,24 -0.236,27 1.357,28 1.276,29 0.02,31 3.962,32 1.137,33 37.537,35 1.318,36 4.934,38 2,39 2,40 5.555,41 5.555,42 1.607,43 1.54,44 2.118,45 1.25,46 25.155,47 0.5,48 50.908,49 3.016,50 3.016,51 4.456,52 4.456,53 3.601,54 3.118,55 3.781,56 3.781,57 2.943,58 2.943,59 4.173,60 3.246,61 4.211,62 16.1,63 25.419,64 2.801,66 3,67 84.479,68 1.25,69 1.58,70 3.028,71 3.244,72 12.207,73 2,74 24.134,75 18.189,76 0.821,77 2.042,78 10.48,79 1.445,80 0.651,81 0.115,82 1.837,83 1.528,84 1.474,85 3.66,86 1.5,87 33.9,88 55.669,89 1.491,90 1.491,91 0.927,92 5.085,93 4.848,94 4.739,95 8.455,96 4.533,97 4.678,98 -0.064,100 3.29,101 9.021,102 2.035,103 3.968,104 51.582,105 3.179,106 3.179,107 3.035,108 1.61,109 0.618,110 6.58,111 4.541,112 2.746,113 1,114 8.609,115 480.888,116 23.8,117 9.614,118 1.205,119 1.205,120 1.476,121 4.782,122 4.933,123 0.439,124 6.581,125 0.702,126 2.696,127 74.298,128 52,129 3.441,130 1.163,131 18.011,132 0.38,133 256.366,134 252.366,135 8.058,136 2.5,137 5.335,138 3.748,139 3.372,140 11.781,141 12,142 5.108,143 0.905,144 10.542,145 3.889,146 350.44,147 3.097,148 5.916,149 3.641,150 4.7,151 0.857,152 0.612,153 6.151,154 3.97,155 3.425,156 1.149,157 3.441,158 4.538,159 1.506,160 1.631,161 10.152,162 3.318,163 0.443,164 0.132,165 4.066,166 0.618,167 0.618,169 4.765,170 0.56,171 0.434,172 6.789,173 1.089,174 34.336,175 3.714,176 12.453,177 4.937,178 12.515,179 13.73,180 4.119,181 1,182 204.857,183 491.611,184 3.707,185 3.841,187 13.416,189 13.868,190 7.728,191 3.655,192 9.27,193 17.169,194 0.685,195 7.158,196 2.055,197 1,198 12.586,199 3,200 1.728,201 -0.122,202 1.249,203 3.677,204 9.047,205 4.183,206 1.695,207 3.983,208 3.44,209 1.574,210 1.181,211 3.127,212 2.932,213 2.932,214 7.453,215 3.773,216 256.366,217 0.755,218 0.755,219 14.29,220 0.245,221 2.923,222 2.177,223 2.308,224 227.611,226 4.09,227 0.804,228 3.936,229 7.18,230 3.581,231 3.622,232 68.423,233 4.078,234 19,235 0.353,236 8.686,237 8.686,238 4.007,239 10.734,240 2.751,241 2.751,243 8.513,244 21,245 4.376,246 7.111,247 7.111,248 275.121,249 49,251 3.595,252 17.453,253 1,254 20.68,255 1,256 16.316,257 16.316,258 16.316,259 16.316,260 16.316,261 7.643,262 3.414,263 0.381,264 8.086,265 2.586,266 4,267 1,268 7.055,269 13.401,270 9.623,271 9.623,272 33.164,273 47.553,274 2.778,275 1.78,276 1.78,277 2.207,278 2,279 3.962,280 10.704,281 920,283 1.538,284 0.1,285 4.88,286 20.572,287 0.875,288 30,289 1,290 153,291 50.511,292 3.953,293 216.393,294 10.325,295 0.182,296 14.381,297 1.612,298 8.601,299 20.616,300 0.215,301 0.135,302 4.028,303 8.463,304 2.929,305 4.975,306 4.134,307 4.12,308 38.8,309 3.258,310 8.54,311 0.213,312 1,313 1,314 1.618,315 28.452,316 4.012,317 3.816,318 1.774,319 1,320 0.651,321 -0.082,322 49.974,323 4.572,324 2.708,325 1.72,326 2.189,327 87.655,328 4.298,329 19.936,330 19.936,331 19.936,332 19.936,333 19.936,334 7.992,335 0.952,336 1.54,337 3.74,338 7.693,339 4.832,340 5.15,341 -0.212,342 -0.212,343 1.162,344 13.578,345 5.232,346 1.405,348 14.1,349 181.193,350 5.497,351 3.339,352 7,353 3.525,354 49.858,355 6.394}
{0 CHEMBL1081426,1 1,2 1,3 7.519,4 4.519,5 4.519,6 4.519,7 1,8 1,9 2,10 2,11 1,12 2.019,13 1,14 6.812,15 6.812,16 2,17 4.645,18 1,19 1,20 1,21 3.064,22 0.4,23 0.4,24 0.022,25 3.091,27 1.271,28 1.267,29 0.048,31 3.932,32 1.039,33 40.072,35 1.26,36 4.745,38 3,39 2,40 5.439,41 5.439,42 1.82,43 1.474,44 1.644,45 1.221,46 23.947,47 0.5,48 67.571,49 2.838,50 2.838,51 4.57,52 4.57,53 3.578,54 2.879,55 3.011,56 3.011,57 3.05,58 3.05,59 3.927,60 3.324,61 3.583,63 28.097,64 2.568,66 3,67 117.56,68 1.22,69 1.816,70 2.911,71 3.297,72 10.226,73 3,74 22.413,75 21.754,76 0.73,77 2.014,78 10.82,79 1.525,80 0.636,81 0.135,82 1.825,83 1.267,84 1.594,85 3.646,86 1.129,87 32.182,88 55.231,89 1.167,90 1.167,91 0.554,92 5.037,93 4.783,94 4.719,95 7.59,96 4.495,97 4.669,98 -0.015,99 1,100 3.247,101 8.312,102 2.004,103 4.016,104 68,105 3.057,106 3.057,107 3.009,108 1.815,109 0.258,110 6.512,111 4.581,112 3.011,114 8.155,115 467.803,116 26.372,117 9.829,118 0.383,119 0.383,120 1.396,121 4.719,122 4.949,123 0.435,124 7.402,125 0.605,126 2.5,127 69.135,128 52,129 3.42,130 1.185,131 34.674,132 0.425,133 254.366,134 251.611,135 0.008,136 2.237,137 0.8,138 3.707,139 3.448,140 12.27,141 11,142 4.176,143 0.916,144 9.69,145 3.858,146 322.27,147 3.097,148 5.462,149 3.557,150 4.677,151 0.848,152 0.59,153 6.237,154 3.898,155 3.517,156 1.156,157 3.425,158 4.466,159 1.482,160 1.61,161 9.158,162 3.348,163 0.757,164 0.151,165 4.031,166 0.488,167 0.488,168 1,169 4.826,170 0.427,171 0.233,172 6.323,173 0.969,174 33.773,175 3.651,176 13.122,177 4.924,178 12.543,179 13.828,180 4.13,181 1,182 198.594,183 476.329,184 3.684,185 3.827,186 1,188 117.589,189 13.497,190 7.579,191 3.594,192 9.051,193 15.956,194 0.976,195 6.829,196 2.023,197 0.803,198 11.13,200 1.445,201 -0.039,202 1.181,203 3.615,204 8.759,205 3.825,206 1.589,207 3.744,208 3.339,209 1.548,210 1.168,211 2.652,212 2.136,213 2.136,214 7.307,215 3.705,216 254.366,217 0.677,218 0.677,219 13.233,220 0.264,221 2.829,222 2.12,223 2.033,224 227.611,226 4.121,227 0.83,228 3.934,229 6.972,230 3.448,231 3.591,232 23.542,233 4.007,234 22,235 0.347,236 7.408,237 7.408,238 3.994,239 0.001,240 2.625,241 2.625,242 1,243 5.108,244 20,245 4.293,246 6.564,247 6.564,248 275.121,249 49,251 3.537,252 16.267,253 0.9,254 19.337,255 1,256 14.78,257 14.78,258 14.78,259 14.78,260 14.78,261 7.537,262 3.251,263 0.818,264 7.549,265 2.049,266 5,267 1,268 6.905,269 12.437,270 9.075,271 9.075,272 31.53,273 40.542,274 2.734,275 1.601,276 1.601,277 2.086,278 2,279 3.831,280 9.903,281 740,283 1.377,284 0.104,285 4.727,286 19.091,287 0.766,288 27,289 1,290 121,291 44.78,292 3.885,293 224.645,294 10.139,295 0.12,296 13.225,297 1.421,298 12.919,299 18.083,300 0.219,301 0.152,302 3.929,303 8.169,304 2.844,305 5.728,306 4.039,307 4.052,308 44.9,309 3.047,310 9.998,311 0.22,312 0.824,313 0.824,314 1.442,315 28.053,316 3.976,317 3.787,318 1.5,319 1,320 0.575,321 -0.199,322 48.756,323 4.531,324 2.542,325 1.694,326 2,327 28.252,328 4.082,329 18.679,330 18.679,331 18.679,332 18.679,333 18.679,334 8.432,335 0.796,336 1.495,337 3.634,338 7.241,339 4.706,340 5.135,341 -0.492,342 -0.492,343 1,344 13.633,345 5.191,346 1.471,347 1,348 12.481,349 181.902,350 5.307,351 3.29,352 7,353 3.46,354 44.439,355 6.432}
{0 CHEMBL1081437,1 1,2 1,3 7.536,4 4.536,5 4.536,6 4.536,7 2,8 1,9 3,10 2,11 1,12 2.313,13 1,14 7.88,15 7.88,16 2,17 4.815,18 1,19 1,20 1,21 3.298,22 3.825,23 3.825,24 0.277,25 3.092,27 1.299,28 1.275,29 0.03,31 3.964,32 1.073,33 42.606,35 1.286,36 5.103,38 4,39 2,40 6.772,41 6.772,42 1.639,43 1.486,44 2.204,45 1.195,46 26.606,47 0.5,48 67.571,49 3.208,50 3.208,51 4.609,52 4.609,53 3.731,54 3.236,55 4.556,56 4.556,57 3.152,58 3.152,59 4.236,60 3.429,61 4.533,62 16.1,63 28.905,64 3.136,66 3,67 117.56,68 1.204,69 1.566,70 3.331,71 3.422,72 11.578,73 4,74 28.846,75 25.633,76 1,77 2.018,78 11.47,79 1.373,80 0.829,81 0.123,82 1.832,83 1.662,84 1.426,85 3.788,86 1.606,87 35.47,88 60.666,89 1.792,90 1.792,91 1.069,92 5.162,93 4.927,94 4.819,95 8.875,96 4.639,97 4.795,98 -0.061,99 1,100 3.414,101 9.191,102 2.013,103 4.048,104 68,105 3.179,106 3.179,107 3.219,108 1.678,109 0.652,110 8,111 4.68,112 3.167,114 8.455,115 496.09,116 26.233,117 10.112,118 1.46,119 1.46,120 1.513,121 4.87,122 5.031,123 0.609,124 8.028,125 1,126 2.808,127 71.216,128 57,129 3.591,130 1.308,131 34.674,132 0.334,133 274.825,134 270.825,135 8.058,136 2.575,137 5.335,138 3.833,139 3.583,140 12.202,141 12,142 4.973,143 1.038,144 10.669,145 3.889,146 362.72,147 3.291,148 5.643,149 3.732,150 4.808,151 0.987,152 0.825,153 6.158,154 4.024,155 3.642,156 1.36,157 3.622,158 4.632,159 1.528,160 1.618,161 10.269,162 3.523,163 0.414,164 0.126,165 4.129,166 0.75,167 0.75,168 1,169 4.914,170 0.699,171 0.537,172 7.28,173 1.5,174 36.347,175 3.731,176 13.232,177 5.042,178 12.699,179 13.993,180 4.228,181 1,182 213.98,183 513.87,184 3.815,185 3.928,186 1,187 13.416,188 148.392,189 13.29,190 7.994,191 3.729,192 10.247,193 19.235,194 0.855,195 7.971,196 2.014,197 1.089,198 14.19,200 1.839,201 -0.008,202 1.297,203 3.809,204 10.045,205 3.957,206 2,207 4.171,208 3.502,209 1.557,210 1.181,211 3.241,212 3.936,213 3.936,214 8.229,215 3.77,216 274.825,217 1,218 1,219 15.09,220 0.215,221 3.012,222 2.154,223 2.3,224 255.173,226 4.152,227 0.901,228 4.025,229 7.665,230 3.653,231 3.685,232 68.423,233 4.205,234 21,235 0.324,236 9.214,237 9.214,238 4.106,239 10.734,240 2.889,241 2.889,242 1,243 8.513,244 23,245 4.502,246 7.111,247 7.111,248 303.58,249 53,251 3.665,252 19.062,253 1.169,254 22.335,255 1,256 17.787,257 17.787,258 17.787,259 17.787,260 17.787,261 7.82,262 3.998,263 0.359,264 8.034,265 2.534,266 7,267 1,268 7.186,269 14.283,270 11.013,271 11.013,272 35.207,273 46.196,274 2.809,275 2.275,276 2.275,277 2.408,278 2,279 4.333,280 11.572,281 1023,283 1.694,284 0.092,285 4.973,286 22.042,287 1.389,288 32,289 1,290 168,291 56.129,292 4.045,293 219.823,294 10.467,295 0.195,296 15.364,297 1.924,298 12.949,299 21.357,300 0.198,301 0.128,302 4.065,303 8.653,304 2.988,305 5.524,306 4.198,307 4.14,308 39.6,309 3.288,310 9.839,311 0.203,312 1.132,313 1.132,314 1.891,315 30.34,316 4.061,317 3.919,318 1.902,319 1,320 0.655,321 0.436,322 54.178,323 4.714,324 2.925,325 1.737,326 2.335,327 76.931,328 4.524,329 21.383,330 21.383,331 21.383,332 21.383,333 21.383,334 8.635,335 1.082,336 1.52,337 3.897,338 8.31,339 4.926,340 5.11,341 1.199,342 1.199,343 1.296,344 14.561,345 5.185,346 1.409,348 14.313,349 212.303,350 5.778,351 3.372,352 7,353 3.651,354 55.168,355 6.742}
{0 CHEMBL1081438,1 1,2 1,3 7.566,4 4.566,5 4.566,6 4.566,7 1,8 1,9 1,10 2,11 1,12 2.408,13 1,14 7.687,15 7.687,16 2,17 4.584,18 1,19 1,20 1,21 3.49,22 3.825,23 3.825,24 -0.387,25 3.064,27 1.306,28 1.277,29 0.027,31 3.965,32 1.034,33 37.537,35 1.283,36 5.112,38 2,39 2,40 6.769,41 6.769,42 1.831,43 1.544,44 2.52,45 1.082,46 25.762,47 0.5,48 67.571,49 3.186,50 3.186,51 4.622,52 4.622,53 3.758,54 3.247,55 4.298,56 4.298,57 3.126,58 3.126,59 4.245,60 3.425,61 4.446,62 16.1,63 33.479,64 3.247,66 3,67 117.56,68 1.211,69 1.813,70 3.187,71 3.419,72 12.766,73 2,74 29.65,75 30.774,76 1.186,77 2.042,78 11.76,79 1.553,80 1.054,81 0.117,82 1.958,83 1.747,84 1.615,85 3.807,86 1.853,87 37.135,88 63.666,89 2.538,90 2.538,91 1.529,92 5.22,93 4.986,94 4.874,95 9.671,96 4.67,97 4.81,98 -0.049,99 1,100 3.5,101 10.916,102 2.035,103 4.046,104 68,105 3.499,106 3.499,107 3.254,108 1.832,109 1,110 7.586,111 4.86,112 3.174,114 9.767,115 541.588,116 25.36,117 11.285,118 2.136,119 2.136,120 1.41,121 4.968,122 5.07,123 0.468,124 7.413,125 1.078,126 2.832,127 66.147,128 60,129 3.623,130 1.31,131 34.674,132 0.341,133 306.457,134 295.702,135 8.058,136 2.754,137 5.335,138 3.995,139 3.581,140 12.08,141 15,142 5.369,143 1.075,144 11.352,145 3.89,146 395.8,147 3.318,148 6.549,149 3.91,150 4.856,151 1.028,152 0.605,153 6.155,154 4.119,155 3.642,156 1.312,157 3.666,158 4.748,159 1.521,160 1.855,161 10.641,162 3.51,163 0.423,164 0.117,165 4.216,166 1.038,167 1.038,168 1,169 5.083,170 1.003,171 1,172 8.576,173 1.6,174 39.347,175 3.785,176 13.71,177 5.064,178 12.805,179 14.078,180 4.271,181 1,182 233.975,183 562.658,184 4.008,185 4.091,186 1,187 13.416,188 156.764,189 14.499,190 7.983,191 3.896,192 10.802,193 20.179,194 1.007,195 9.997,196 2.055,197 1.25,198 14.729,200 1.963,201 -0.186,202 1.23,203 3.789,204 10.571,205 4.979,206 2.093,207 4.166,208 3.588,209 1.827,210 1.205,211 3.29,212 3.928,213 3.928,214 8.716,215 3.806,216 306.457,217 1.113,218 1.113,219 16.59,220 0.216,221 3.051,222 1.914,223 2.565,224 256.683,226 4.143,227 0.847,228 4.143,229 8.585,230 3.8,231 3.757,232 68.423,233 4.29,234 21,235 0.3,236 9.199,237 9.199,238 4.154,239 10.734,240 2.875,241 2.875,242 1,243 8.513,244 26,245 4.686,246 7.116,247 7.116,248 325.212,249 56,251 3.739,252 20.471,253 1.319,254 24.146,255 1,256 19.304,257 19.304,258 19.304,259 19.304,260 19.304,261 7.86,262 3.999,263 0.381,264 8.026,265 2.526,266 4,267 1,268 7.235,269 15.783,270 10.974,271 10.974,272 38.207,273 52.625,274 2.887,275 2.564,276 2.564,277 2.378,278 2,279 4.589,280 12.824,281 1149,283 2.008,284 0.085,285 5.103,286 24.164,287 1.656,288 35,289 1,290 192,291 60.31,292 4.137,293 265.321,294 10.523,295 0.175,296 16.864,297 1.922,298 12.947,299 23.468,300 0.182,301 0.119,302 4.169,303 8.923,304 3.012,305 5.448,306 4.293,307 4.243,308 37.5,309 3.301,310 9.516,311 0.195,312 1.304,313 1.304,314 1.814,315 28.414,316 4.149,317 4.075,318 1.95,319 1,320 0.657,321 0.665,322 57.178,323 4.917,324 3.122,325 1.761,326 2.362,327 80.116,328 4.688,329 23.504,330 23.504,331 23.504,332 23.504,333 23.504,334 10.189,335 1.099,336 1.589,337 4.094,338 8.442,339 5.06,340 5.28,341 1.762,342 1.762,343 1.346,344 16.061,345 5.472,346 1.508,348 14.943,349 208.808,350 5.722,351 3.375,352 8,353 3.746,354 59.547,355 6.384}
{0 CHEMBL1081439,1 1,2 1,3 7.392,4 4.392,5 4.392,6 4.392,7 1,8 1,9 1,10 2,11 1,12 2,14 6.79,15 6.79,16 2,17 4.737,18 1,19 1,20 1,21 3.019,22 0.4,23 0.4,24 -0.102,25 2.929,27 1.271,28 1.265,29 -0.051,31 3.94,32 1.057,33 37.537,35 1.228,36 4.745,38 2,39 2,40 5.135,41 5.135,42 1.595,43 1.463,44 1.667,45 1.284,46 17.064,48 67.571,49 2.764,50 2.764,51 4.469,52 4.469,53 3.566,54 3.034,55 2.379,56 2.379,57 2.929,58 2.929,59 4.026,60 3.106,61 3.437,63 24.156,64 2.438,66 3,67 117.56,68 1.17,69 1.465,70 2.967,71 3.111,72 9.403,73 2,74 19.545,75 15.514,76 0.684,77 2.017,78 7.592,79 1.277,80 0.555,81 0.13,82 1.818,83 1.073,84 1.317,85 3.632,86 1.047,87 29.265,88 48.741,89 0.956,90 0.956,91 0.541,92 4.906,93 4.651,94 4.6,95 5.632,96 4.374,97 4.526,98 -0.032,99 1,100 3.124,101 6.727,102 2.012,103 3.996,104 68,105 3.011,106 3.011,107 2.927,108 1.643,109 0.388,110 5.757,111 4.398,112 2.403,114 7.481,115 418.483,116 21.589,117 6.971,118 0.122,119 0.122,120 1.379,121 4.504,122 4.813,123 0.405,124 7.273,125 0.451,126 2.5,127 64.678,128 46,129 3.404,130 1.107,131 34.674,132 0.412,133 219.329,134 219.329,135 0.008,136 2.192,137 0.8,138 3.473,139 3.278,140 9.257,141 8,142 4.084,143 0.886,144 8.562,145 3.863,146 293.74,147 2.997,148 4.912,149 3.381,150 4.464,151 0.821,152 0.456,153 6.15,154 3.822,155 3.348,156 1.077,157 3.41,158 4.263,159 1.489,160 1.603,161 7.425,162 3.227,163 0.697,164 0.151,165 3.868,166 0.384,167 0.384,168 1,169 4.63,170 0.366,171 0.05,172 5.987,173 0.626,174 30.188,175 3.636,176 10.399,177 4.701,178 12.432,179 13.667,180 4.02,181 1,182 180.607,183 432.442,184 3.511,185 3.614,186 1,188 115.326,189 11.418,190 7.471,191 3.4,192 8.136,193 15.025,194 0.582,195 5.373,196 2.014,197 0.648,198 10.715,199 1,200 1.406,201 -0.198,202 1.181,203 3.648,204 7.926,205 3.833,206 1.406,207 3.686,208 3.303,209 1.541,210 1.142,211 2.617,212 2.275,213 2.275,214 6.562,215 3.69,216 219.329,217 0.519,218 0.519,219 12.519,220 0.26,221 2.774,222 2.025,223 2.193,224 203.678,226 4.108,227 0.752,228 3.727,229 6.352,230 3.302,231 3.486,232 23.542,233 3.951,234 17,235 0.332,236 7.494,237 7.494,238 3.892,239 0.001,240 2.673,241 2.673,242 1,243 8.201,244 20,245 4.102,246 6.305,247 6.305,248 233.329,249 43,251 3.456,252 15.312,253 0.818,254 18.167,255 1,256 14.341,257 14.341,258 14.341,259 14.341,260 14.341,261 7.486,262 3.285,263 0.623,264 7.801,265 2.301,266 3,267 1,268 6.872,269 11.756,270 8.708,271 8.708,272 28.86,273 38.42,274 2.687,275 1.255,276 1.255,277 2.097,278 2,279 3.448,280 9.518,281 721,283 1.342,284 0.104,285 4.673,286 18.224,287 0.338,288 26,289 1,290 115,291 43.681,292 3.731,293 219.221,294 10.109,295 0.109,296 12.67,297 1.507,298 12.447,299 17.07,300 0.217,301 0.154,302 3.826,303 8.053,304 2.777,305 4.286,306 4.002,307 3.929,308 39.5,309 2.938,310 7.451,311 0.224,312 0.722,313 0.722,314 1.468,315 22.273,316 3.87,317 3.604,318 1.5,319 1,320 0.63,321 -0.564,322 43.502,323 4.317,324 2.29,325 1.683,326 2,327 44.276,328 4.034,329 17.756,330 17.756,331 17.756,332 17.756,333 17.756,334 5.923,335 0.787,336 1.483,337 3.531,338 6.055,339 4.65,340 5.101,341 -1.587,342 -1.587,343 1,344 12.684,345 5.101,346 1.333,347 1,348 12.5,349 168.068,350 5.304,351 3.108,352 6,353 3.47,354 43.19,355 6.434}
{0 CHEMBL1081451,1 1,2 1,3 7.392,4 4.392,5 4.392,6 4.392,7 1,8 1,9 1,10 2,11 2,12 2,14 6.79,15 6.79,16 2,17 4.737,18 1,19 1,20 1,21 3.019,22 0.4,23 0.4,24 -0.022,25 2.943,27 1.272,28 1.268,29 -0.034,31 3.936,32 1.072,33 37.537,35 1.228,36 4.745,38 2,39 2,40 5.135,41 5.135,42 1.595,43 1.461,44 1.667,45 1.313,46 18.5,48 67.571,49 2.764,50 2.764,51 4.469,52 4.469,53 3.564,54 3.034,55 2.379,56 2.379,57 2.929,58 2.929,59 4.026,60 3.108,61 3.437,63 25.942,64 2.438,66 3,67 117.56,68 1.17,69 1.465,70 2.981,71 3.113,72 9.846,73 2,74 20.302,75 19.312,76 0.688,77 2.017,78 7.944,79 1.278,80 0.562,81 0.13,82 1.814,83 1.073,84 1.317,85 3.628,86 1.047,87 31.329,88 48.345,89 0.956,90 0.956,91 0.541,92 4.896,93 4.646,94 4.593,95 5.873,96 4.369,97 4.518,98 -0.036,99 1,100 3.124,101 7.133,102 2.009,103 4,104 107.148,105 3.011,106 3.011,107 2.924,108 1.643,109 0.388,110 5.888,111 4.391,112 2.403,114 7.701,115 437.051,116 23.195,117 7.224,118 0.122,119 0.122,120 1.374,121 4.489,122 4.798,123 0.405,124 7.273,125 0.447,126 2.5,127 64.678,128 46,129 3.409,130 1.107,131 34.674,132 0.412,133 219.329,134 219.329,135 0.008,136 2.192,137 0.8,138 3.528,139 3.277,140 9.313,141 10,142 4.228,143 0.886,144 8.694,145 3.87,146 302.88,147 2.992,148 5.155,149 3.411,150 4.462,151 0.821,152 0.458,153 6.21,154 3.841,155 3.347,156 1.077,157 3.419,158 4.254,159 1.489,160 1.604,161 7.663,162 3.272,163 0.758,164 0.151,165 3.901,166 0.384,167 0.384,168 1,169 4.617,170 0.365,171 0.043,172 5.987,173 0.626,174 31.108,175 3.637,176 10.807,177 4.697,178 12.432,179 13.667,180 4.013,181 1,182 187.742,183 449.85,184 3.531,185 3.657,186 1,188 115.326,189 11.823,190 7.445,191 3.464,192 8.192,193 15.133,194 0.587,195 5.608,196 2.014,197 0.648,198 10.715,199 1,200 1.251,201 -0.202,202 1.181,203 3.643,204 7.926,205 3.833,206 1.402,207 3.684,208 3.303,209 1.543,210 1.136,211 2.617,212 2.275,213 2.275,214 6.562,215 3.691,216 219.329,217 0.519,218 0.519,219 12.948,220 0.26,221 2.781,222 2.057,223 2.193,224 203.678,226 4.108,227 0.781,228 3.749,229 6.879,230 3.331,231 3.514,232 23.542,233 3.951,234 17,235 0.332,236 7.494,237 7.494,238 3.889,239 0.001,240 2.673,241 2.673,242 1,243 5.122,244 20,245 4.087,246 6.305,247 6.305,248 233.329,249 43,251 3.47,252 15.312,253 0.821,254 18.307,255 1,256 14.341,257 14.341,258 14.341,259 14.341,260 14.341,261 7.486,262 3.285,263 0.753,264 7.652,265 2.152,266 3,267 1,268 6.872,269 11.565,270 8.708,271 8.708,272 29.304,273 38.42,274 2.713,275 1.255,276 1.255,277 2.099,278 2,279 3.574,280 9.518,281 721,283 1.341,284 0.104,285 4.673,286 18.298,287 0.335,288 26,289 1,290 115,291 43.681,292 3.747,293 213.601,294 10.109,295 0.109,296 12.67,297 1.507,298 12.519,299 17.403,300 0.217,301 0.154,302 3.85,303 8.053,304 2.789,305 4.219,306 4.002,307 3.977,308 39.5,309 3.195,310 7.457,311 0.224,312 0.722,313 0.722,314 1.469,315 22.14,316 3.907,317 3.616,318 1.5,319 1,320 0.62,321 -0.476,322 43.313,323 4.285,324 2.452,325 1.683,326 2,327 38.656,328 4.034,329 17.756,330 17.756,331 17.756,332 17.756,333 17.756,334 6.515,335 0.707,336 1.478,337 3.618,338 5.98,339 4.65,340 5.101,341 -1.587,342 -1.587,343 1,344 13.367,345 5.101,346 1.331,348 12.5,349 168.068,350 5.304,351 3.097,352 6,353 3.557,354 43.276,355 7.62}
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{0 CHEMBL1082017,3 7.072,4 4.072,5 4.072,6 4.072,7 1,8 1,9 3,11 1,12 2.348,13 1,14 7.425,15 7.425,16 2,17 4.702,18 1,19 1,21 3.266,22 3.825,23 3.825,24 -0.267,27 1.279,28 1.293,29 -0.031,31 3.955,32 1.136,33 60.617,35 1.234,36 4.924,38 4,39 2,40 5.796,41 5.796,42 1.704,43 1.506,44 1.935,45 1.296,46 26.602,47 0.5,48 68.919,49 3.031,50 3.031,51 4.439,52 4.439,53 3.61,54 3.228,55 4.393,56 4.393,57 2.952,58 2.952,59 4.124,60 3.317,61 4.429,62 16.1,63 29.4,64 2.806,66 3,67 85.704,68 1.274,69 1.714,70 3.618,71 3.312,72 12.81,73 4,74 27.201,75 23.103,76 1,77 2.042,78 11.149,79 1.515,80 0.845,81 0.109,82 1.833,83 1.863,84 1.549,85 3.668,86 1.5,87 36.924,88 59.294,89 1.644,90 1.644,91 0.835,92 5.173,93 4.938,94 4.855,95 9.094,96 4.619,97 4.768,98 -0.05,100 3.298,101 9.401,102 2.035,103 3.91,104 34.796,105 3.179,106 3.179,107 3.07,108 1.694,109 0.654,110 7.356,111 4.631,112 3.002,114 8.975,115 502.029,116 28.058,117 10.318,118 1.214,119 1.214,120 1.432,121 4.828,122 5.054,123 0.511,124 6.581,125 0.726,126 2.716,127 77.925,128 55,129 3.448,130 1.246,131 36.022,132 0.376,133 273.668,134 269.668,135 8.075,136 2.5,137 5.335,138 3.799,139 3.454,140 13.225,141 12,142 5.439,143 0.99,144 11.547,145 3.884,146 372.77,147 3.141,148 6.309,149 3.685,150 4.796,151 0.941,152 0.604,153 6.14,154 4.015,155 3.494,156 1.255,157 3.447,158 4.593,159 1.509,160 1.62,161 11.076,162 3.403,163 0.389,164 0.12,165 4.126,166 0.67,167 0.67,169 4.856,170 0.595,171 0.437,172 7.092,173 1.051,174 35.552,175 3.678,176 13.708,177 5.034,178 12.19,179 13.334,180 4.182,181 1,182 211.781,183 508.505,184 3.752,185 3.879,187 13.417,189 14.722,190 7.788,191 3.699,192 9.741,193 17.961,194 0.938,195 7.662,196 2.055,197 1,198 13.5,199 1,200 1.834,201 -0.152,202 1.222,203 3.711,204 9.525,205 3.198,206 1.724,207 4.001,208 3.471,209 1.561,210 1.181,211 3.139,212 3.702,213 3.702,214 7.809,215 3.723,216 273.668,217 0.762,218 0.762,219 14.624,220 0.243,221 2.876,223 2.291,224 244.507,226 4.038,227 0.877,228 3.997,229 7.483,230 3.634,231 3.651,232 93.567,233 4.111,234 21,235 0.343,236 8.779,237 8.779,238 4.066,239 10.738,240 2.786,241 2.786,242 1,243 8.513,244 21,245 4.493,246 7.111,247 7.111,248 296.423,249 52,251 3.627,252 18.288,253 1.011,254 21.4,255 1,256 16.799,257 16.799,258 16.799,259 16.799,260 16.799,261 7.686,262 3.414,263 0.377,264 8.169,265 2.669,266 6,267 1,268 7.098,269 13.735,270 9.665,271 9.665,272 34.405,273 49.972,274 2.828,275 1.805,276 1.805,277 2.43,278 2,279 4.269,280 11.039,281 988,282 1.9,283 1.571,284 0.097,285 4.926,286 20.986,287 0.895,288 31,289 1,290 162,291 52.068,292 4.018,293 200.617,294 10.317,295 0.199,296 14.775,297 1.892,298 4.391,299 21.79,300 0.209,301 0.131,302 4.085,303 8.556,304 2.865,305 5.465,306 4.164,307 4.173,308 40.4,309 3.275,310 9.986,311 0.211,312 1,313 1,314 1.89,315 31.563,316 4.058,317 3.878,318 1.791,319 1,320 0.653,321 -0.076,322 53.185,323 4.712,324 2.976,325 1.728,326 2.264,327 69.928,328 4.354,329 20.383,330 20.383,331 20.383,332 20.383,333 20.383,334 8.71,335 1.005,336 1.531,337 3.784,338 8.668,339 4.87,340 5.186,341 -0.195,342 -0.195,343 1.232,344 13.972,345 5.263,346 1.409,348 14.742,349 201.977,350 5.497,351 3.348,352 7,353 3.527,354 51.397,355 5.48}
{0 CHEMBL1082030,3 7.139,4 4.139,5 4.139,6 4.139,7 1,8 1,9 1,11 1,12 2.264,13 1,14 7.425,15 7.425,16 2,17 4.79,18 1,19 1,20 1,21 3.284,22 3.825,23 3.825,24 -0.296,27 1.277,28 1.275,29 0.015,31 3.955,32 1.108,33 55.426,35 1.229,36 4.924,37 2,38 2,39 2,40 5.698,41 5.698,42 1.602,43 1.501,44 2.184,45 1.259,46 23.417,47 0.5,48 68.796,49 3.086,50 3.086,51 4.456,52 4.456,53 3.6,54 3.236,55 3.97,56 3.97,57 3.062,58 3.062,59 4.181,60 3.136,61 4.29,62 16.1,63 25.218,64 2.805,66 3,67 102.245,68 1.169,69 1.513,70 3.593,71 3.165,72 11.825,73 2,74 25.744,75 20.113,76 1,77 2.041,78 9.354,79 1.42,80 0.807,81 0.115,82 1.833,83 1.811,84 1.442,85 3.658,86 1.5,87 33.34,88 55.962,89 1.723,90 1.723,91 1.029,92 5.089,93 4.864,94 4.755,95 8.074,96 4.547,97 4.687,98 -0.09,100 3.366,101 8.268,102 2.035,103 3.911,104 43.844,105 3.179,106 3.179,107 3.068,108 1.625,109 0.647,110 6.895,111 4.55,112 2.702,114 8.776,115 487.663,116 22.758,117 8.9,118 1.216,119 1.216,120 1.409,121 4.757,122 4.937,123 0.284,124 6.581,125 0.9,126 2.675,127 89.396,128 52,129 3.44,130 1.172,131 35.899,132 0.383,133 256.366,134 250.366,135 8.058,136 2.5,137 5.335,138 3.725,139 3.363,140 11.104,141 10,142 5.119,143 0.961,144 10.311,145 3.885,146 363.83,147 3.108,148 6.08,149 3.646,150 4.727,151 0.917,152 0.579,153 6.122,154 3.976,155 3.423,156 1.183,157 3.44,158 4.535,159 1.509,160 1.619,161 9.859,162 3.325,163 0.432,164 0.122,165 4.059,166 0.705,167 0.705,168 1,169 4.765,170 0.607,171 0.437,172 7.019,173 1.376,174 34.034,175 3.67,176 11.708,177 4.957,178 12.278,179 13.445,180 4.136,181 1,182 206.055,183 494.535,184 3.715,185 3.811,187 13.416,189 13.039,190 7.846,191 3.624,192 9.289,193 17.46,194 0.644,195 7.039,196 2.025,197 1,198 13.309,199 1,200 1.745,201 -0.054,202 1.191,203 3.741,204 9.092,205 3.536,206 1.905,207 4.076,208 3.471,209 1.558,210 1.181,211 3.139,212 3.289,213 3.289,214 7.475,215 3.714,216 256.366,217 0.909,218 0.909,219 14.524,220 0.246,221 2.912,223 2.299,224 234.714,226 4.035,227 0.83,228 3.92,229 7.404,230 3.567,231 3.604,232 93.567,233 4.127,234 18,235 0.343,236 9.012,237 9.012,238 4.023,239 10.734,240 2.818,241 2.818,242 1,243 8.513,244 21,245 4.426,246 7.111,247 7.111,248 275.121,249 49,251 3.594,252 18.221,253 1.274,254 21.051,255 1,256 16.783,257 16.783,258 16.783,259 16.783,260 16.783,261 7.697,262 3.414,263 0.404,264 8.234,265 2.734,266 4,267 1,268 7.102,269 13.681,270 10.184,271 10.184,272 33.373,273 49.952,274 2.793,275 2.123,276 2.123,277 2.412,278 2,279 3.971,280 11.177,281 953,282 2,283 1.581,284 0.097,285 4.928,286 21.055,287 0.912,288 31,289 1,290 160,291 52.399,292 3.974,293 221.565,294 10.351,295 0.215,296 14.792,297 1.904,298 4.341,299 21.478,300 0.209,301 0.131,302 4.045,303 8.56,304 2.898,305 4.572,306 4.163,307 4.113,308 36.7,309 3.263,310 8.079,311 0.211,312 1,313 1,314 1.9,315 28.562,316 4.001,317 3.827,318 1.716,319 1,320 0.683,321 -0.076,322 50.52,323 4.646,324 2.675,325 1.728,326 2.225,327 87.019,328 4.33,329 20.436,330 20.436,331 20.436,332 20.436,333 20.436,334 7.995,335 0.988,336 1.525,337 3.82,338 7.568,339 4.87,340 5.11,341 -0.194,342 -0.194,343 1.203,344 13.989,345 5.232,346 1.401,348 14.194,349 195.821,350 5.497,351 3.34,352 7,353 3.525,354 51.398,355 6}
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{0 CHEMBL1800268,1 3,3 6.626,4 3.626,5 3.626,6 3.626,7 7,8 3,9 11,11 5,12 3.293,13 3,14 8.906,15 8.906,16 11,17 5.042,18 8,19 8,20 1,21 4.656,22 2.02,23 2.02,24 -7.355,26 3,27 1.711,28 1.358,29 0.017,31 3.893,32 1.024,33 439.208,35 1.654,36 5.308,38 17,39 7,40 7.994,41 7.994,42 1.968,43 1.92,44 3.233,45 1.032,46 141.983,47 1,48 428.812,49 2.965,50 2.965,51 4.166,52 4.166,53 3.811,54 3.72,55 6.362,56 6.362,57 2.937,58 2.937,59 4.104,60 3.574,61 5.224,62 10.222,63 130.527,64 4.515,66 6,67 425.948,68 1.3,69 1.973,70 3.86,71 3.582,72 26.622,73 20,74 116.591,75 151.247,76 2.462,77 2.01,78 53.125,79 1.711,80 2.419,81 0.236,82 1.999,83 2.818,84 1.766,85 3.864,86 2.684,87 109.572,88 181.556,89 5.131,90 5.131,91 2.239,92 6.368,93 6.111,94 5.997,95 35.015,96 5.653,97 5.873,98 -0.009,100 4.659,101 32.276,102 2.011,103 3.816,105 3.253,106 3.253,107 3.702,108 1.966,109 2.374,110 21.02,111 6.28,112 9.204,114 37.107,115 1531.89,116 97.256,117 57.746,118 5.118,119 5.118,120 1.942,121 6.616,122 6.252,123 1.216,125 2.021,126 3.54,127 499.255,128 157,129 3.644,130 1.885,131 90.054,132 0.945,133 988.991,134 933.116,135 6.307,136 3.529,137 3.531,138 5.362,139 3.752,140 47.56,141 6,142 27.974,143 1.654,144 25.415,145 3.758,146 1023.89,147 3.768,148 33.715,149 5.289,150 6.169,151 1.582,152 1.227,153 50.781,154 4.777,155 3.808,156 1.876,157 3.633,158 6.366,159 1.423,160 1.797,161 28.371,162 3.666,163 0.59,164 0.05,165 5.109,166 2.035,167 2.035,169 6.528,170 1.97,171 1.866,172 12.512,173 2.644,174 93.319,175 3.688,176 41.634,177 6.408,178 11.732,179 12.716,180 5.268,181 9,182 564.832,183 1369.95,184 5.214,185 5.286,187 8.89,189 44.682,190 8.401,191 5.429,192 24.266,193 39.215,194 1.264,195 37.669,196 2.035,197 2.028,198 31.574,200 3.667,201 -0.035,202 1.905,203 3.915,204 23.76,205 0.829,206 3.132,207 3.943,208 4.305,209 1.745,210 1.852,211 4.649,212 5.647,213 5.647,214 19.869,215 3.677,216 1002.99,217 2.145,218 2.145,219 33.2,220 0.571,221 3.535,223 2.903,224 791.61,226 4.005,227 1.597,228 5.188,229 12.512,230 5.34,231 4.462,232 455.723,233 4.673,234 84,235 0.134,236 9.284,237 9.284,238 5.103,239 7.579,240 2.938,241 2.938,242 4,243 7.449,244 6,245 6.429,246 6.417,247 6.417,248 1145.26,249 157,251 4.443,252 44.593,253 2.815,254 50.3,255 1,256 35.78,257 35.78,258 35.78,259 35.78,260 35.78,261 8.248,262 4.793,263 0.533,264 8.155,265 2.655,266 30,267 6,268 7.685,269 32.927,270 9.453,271 9.453,272 88.203,273 447.234,274 3.556,275 5.183,276 5.183,277 3.591,278 14,279 7.283,280 21.454,281 3293,282 5.7,283 3.01,284 0.041,285 6.159,286 47.911,287 2.853,288 73,289 1,290 577,291 105.225,292 5.038,293 581.781,294 10.702,295 1.087,296 34.557,297 2.433,299 66.326,300 0.088,301 0.057,302 4.95,303 11.126,304 3.523,305 19.055,306 4.966,307 5.036,308 53.5,309 3.607,310 32.38,311 0.15,312 2.213,313 2.213,314 3.499,315 116.797,316 4.847,317 5.128,318 2.694,320 0.576,321 1.82,322 157.937,323 6.681,324 4.818,325 1.941,326 3.153,327 36.757,328 6.7,329 47.241,330 47.241,331 47.241,332 47.241,333 47.241,334 62.757,335 2.181,336 1.913,337 5.282,338 20.266,339 6.081,340 5.943,341 4.661,342 4.661,343 2.157,344 34.557,345 6.299,346 1.902,348 22.945,349 545.689,350 6.114,351 3.783,352 10,353 3.725,354 103.848,355 6.886}
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{0 CHEMBL1989518,1 1,3 6.726,4 3.726,5 3.726,6 3.726,11 1,12 1.519,13 1,14 3.159,15 3.159,16 1,17 4.173,18 1,19 1,21 1.555,22 0.86,23 0.86,26 1,27 0.886,28 1.078,29 0.063,31 3.816,32 1.118,33 39.595,34 1,35 0.821,36 3.726,37 2,39 1,40 2.432,41 2.432,42 1.426,43 1.163,44 0.5,45 1.105,46 12.058,48 32.897,49 2.502,50 2.502,51 4.112,52 4.112,53 3.26,54 2.433,55 0.439,56 0.439,57 2.641,58 2.641,59 3.426,60 2.735,61 2.481,62 0.283,63 11.692,64 1.029,66 1,67 66.468,68 0.988,69 1.437,70 2.544,71 2.715,72 5.207,73 2,74 9.813,75 10.425,76 -0.863,77 1.916,78 6.039,79 1.187,80 -1,81 0.147,82 1.766,83 0.598,84 1.241,85 3.317,86 -0.747,87 13.587,88 37.196,89 -2.347,90 -2.347,91 -1.448,92 4.346,93 4.11,94 4.212,95 4.109,96 4.031,97 4.203,98 -0.104,100 1.581,101 4.222,102 1.924,103 3.759,104 52.524,105 2.152,106 2.152,107 2.698,108 1.416,109 -1.081,110 3.561,111 3.986,112 1.808,113 2,114 6.647,115 332.376,116 15.093,117 6.089,118 -2.589,119 -2.589,120 1.181,121 4.233,122 4.427,123 0.114,125 -0.85,126 0.918,127 75.785,128 34,129 3.119,130 0.913,132 0.706,133 152.465,134 150.465,135 0.593,136 0.704,137 1.72,138 3.13,139 2.887,140 6.468,141 4,142 4.062,143 0.596,144 5.468,145 3.71,146 227.55,147 2.774,148 4.591,149 3.019,150 4.033,151 0.466,152 0.218,153 5.384,154 3.367,155 2.971,156 0.885,157 3.119,158 3.975,159 1.399,160 1.493,161 4.52,162 2.754,163 1.389,164 0.196,165 3.346,166 -1,167 -1,169 4.212,170 -0.946,171 -1.142,172 3.517,173 -1.313,174 22.04,175 3.317,176 7.532,177 4.272,178 11.263,179 12.083,180 3.706,181 2,182 134.164,183 319.12,184 3.149,185 3.253,187 0.366,189 7.312,190 6.709,191 2.861,192 5.661,193 9.44,194 0.445,195 3.175,196 1.89,197 -0.578,198 7.076,199 4,200 0.759,201 -0.149,202 0.97,203 3.04,204 5.546,205 2.778,206 0.109,207 3.487,208 2.958,209 1.419,210 0.937,211 1.11,212 -0.955,213 -0.955,214 4.647,215 3.312,216 152.465,217 -0.87,218 -0.87,219 8.533,220 0.419,221 2.511,223 1.428,224 137.71,226 3.953,227 0.545,228 3.281,229 3.517,230 2.756,231 3.112,232 11,233 3.332,234 15,235 0.409,236 5.902,237 5.902,238 3.58,239 0.469,240 2.093,241 2.093,243 5.04,244 12,245 3.793,246 5.607,247 5.607,248 166.465,249 33,251 3.093,252 10.98,253 -0.432,254 12.51,256 9.398,257 9.398,258 9.398,259 9.398,260 9.398,261 6.819,262 1.696,263 1.156,264 7.694,265 2.194,266 2,268 6.286,269 8.55,270 6.962,271 6.962,272 20.94,273 31.157,274 2.363,275 -1.997,276 -1.997,277 1.23,279 1.449,280 5.565,281 341,282 3,283 -0.049,284 0.143,285 4.139,286 12.85,287 -0.433,288 18,290 57,291 26.889,292 3.229,293 168.352,294 9.372,295 0.021,296 8.881,297 0.983,298 8.091,299 12.431,300 0.295,301 0.216,302 3.375,303 7.002,304 2.495,305 3.742,306 3.624,307 3.467,308 45.5,309 2.687,310 5.777,311 0.277,312 -0.634,313 -0.634,314 0.728,315 12.601,316 3.412,317 3.18,318 -0.51,320 0.578,321 -1.386,322 32.934,323 4.054,324 0.929,325 1.582,326 0.565,327 58.804,328 3.221,329 12.56,330 12.56,331 12.56,332 12.56,333 12.56,334 4.578,335 0.478,336 1.167,337 2.944,338 4.29,339 4.136,340 4.56,341 -3.788,342 -3.788,343 -0.393,344 8.881,345 4.62,346 1.062,348 9.167,349 109.181,350 3.646,351 2.925,353 3.155,354 26.533,355 5.4}
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{0 CHEMBL1999918,1 1,3 7.595,4 4.595,5 4.595,6 4.595,10 2,11 1,12 1.129,13 1,14 7.015,15 7.015,17 4.423,21 2.151,22 0.98,23 0.98,27 0.9,28 1.187,29 0.125,30 1,31 3.853,32 1.032,33 32.897,35 0.836,36 4.902,37 1,39 1,40 4.072,41 4.072,42 1.241,43 1.055,44 0.5,45 0.984,46 16.381,48 32.897,49 2.972,50 2.972,51 4.667,52 4.667,53 3.067,54 2.92,55 1.515,56 1.515,57 3.14,58 3.14,59 3.932,60 2.768,61 3.318,62 0.942,63 8.94,64 1.731,66 1,67 95.637,68 0.909,69 1.189,70 3.505,71 2.798,72 5.695,74 16.76,75 20.193,76 0.115,77 1.806,78 3.539,79 0.952,80 -0.364,81 0.067,82 1.68,83 1.29,84 0.977,85 3.131,86 -0.036,87 16.821,88 31.308,89 -2,90 -2,91 -1.272,92 4.243,93 4.128,94 4.157,95 4.828,96 3.938,97 4.012,98 -0.198,100 2.361,101 4.824,102 1.809,103 4.339,104 16.786,105 2.986,106 2.986,107 2.616,108 1.226,109 -0.536,110 4.506,111 3.984,112 1.497,113 1,114 5.338,115 324.409,116 17.023,117 3.582,118 -2.851,119 -2.851,120 1.057,121 3.924,122 4.239,124 6.862,125 -0.523,126 1.446,127 50.992,128 30,129 2.938,130 0.658,131 45.954,132 0.832,133 132.606,134 132.606,135 1.019,136 1.321,137 1.96,138 3.074,139 2.976,140 4.523,141 5,142 2.418,143 0.394,144 6.06,145 3.799,146 240.58,147 2.656,148 3.659,149 3,150 4.063,151 0.33,152 0.014,153 5.251,154 3.599,155 3.005,156 0.654,157 2.974,158 3.762,159 1.53,160 1.534,161 5.036,162 3.156,163 0.64,164 0.2,165 3.584,166 -1,167 -1,169 4.116,170 -0.777,171 -0.914,172 5.21,173 -0.872,174 22.387,175 3.314,176 4.26,177 4.222,178 12.694,179 14.051,180 3.562,182 142.49,183 339.435,184 3.321,185 3.345,186 1,187 0.967,188 76,189 4.305,190 7.55,191 2.712,192 5.828,193 11.642,194 0.227,195 3.601,196 1.759,197 -0.021,198 8.113,199 2,200 1.155,201 -0.004,202 0.779,203 3.527,204 5.618,205 3.327,206 0.282,207 3.895,208 3.105,209 1.538,210 0.598,211 2,212 0.626,213 0.626,214 4.586,215 3.314,216 132.606,217 -0.631,218 -0.631,219 10.871,220 0.417,221 2.519,222 1.299,223 2.104,224 123.851,226 4.108,227 0.798,228 3.448,229 6.06,230 2.591,231 3.234,232 25.145,233 3.871,234 7,235 0.495,236 8.152,237 8.152,238 3.495,239 0.993,240 2.574,241 2.574,243 8.239,244 15,245 3.36,246 6.859,247 6.859,248 134.606,249 28,251 3.205,252 11.656,253 0.267,254 14.011,255 2,256 11.275,257 11.275,258 11.275,259 11.275,260 11.275,261 7.427,262 2.758,263 0.602,264 8.337,265 2.837,268 6.767,269 8.617,270 9.717,271 9.717,272 21.844,273 31.972,274 2.537,275 -1.616,276 -1.616,277 1.835,279 3.243,280 8.299,281 344,282 3.6,283 0.051,284 0.141,285 4.365,286 14.199,287 -0.275,288 21,290 58,291 35.522,292 3.554,293 133.256,294 10.166,296 9.986,297 1.359,298 4.013,299 14.394,300 0.298,301 0.203,302 3.67,303 7.507,304 2.596,305 1.646,306 3.776,307 3.704,308 25,309 2.893,310 3.074,311 0.26,312 -0.027,313 -0.027,314 1.365,315 11.102,316 3.647,317 3.417,318 0.317,319 1,320 0.747,321 -1.02,322 29.396,323 3.504,324 2.212,325 1.637,326 1.026,327 48.336,328 3.162,329 13.776,330 13.776,331 13.776,332 13.776,333 13.776,334 2.418,335 0.507,336 1.074,337 3.807,338 3.6,339 4.289,340 4.736,341 -2.875,342 -2.875,343 0.181,344 10.133,345 4.736,346 1.018,348 7.762,349 108.241,350 5.61,351 2.981,353 3.446,354 35.216,355 5.2}
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{0 CHEMBL2002346,2 1,3 7.531,4 4.531,5 4.531,6 4.531,10 2,12 1.569,14 6.486,15 6.486,17 4.386,20 1,21 2.411,22 0.657,23 0.657,25 3.172,27 1.21,28 1.157,29 -0.065,30 1,31 3.919,32 0.877,33 2.106,34 1,35 1.134,36 4.559,40 3.516,41 3.516,42 1.627,43 1.459,44 0.938,45 0.862,46 12.494,48 34.796,49 2.654,50 2.654,51 4.594,52 4.594,53 3.376,54 2.901,55 2.431,56 2.431,57 3.088,58 3.088,59 3.889,60 3.051,61 3.477,62 0.013,63 14.743,64 2,65 1,67 85.153,68 1.081,69 1.572,70 2.832,71 3.052,72 6.113,73 1,74 12.873,75 12.065,76 0.484,77 1.992,78 6.821,79 1.338,80 -0.188,81 0.098,82 1.899,83 1,84 1.405,85 3.441,86 0.736,87 16.773,88 42.568,89 -0.978,90 -0.978,91 -0.511,92 4.637,93 4.409,94 4.418,95 4.458,96 4.227,97 4.387,98 -0.033,99 1,100 3.053,101 4.918,102 1.992,103 3.848,104 68.367,105 2.899,106 2.899,107 2.854,108 1.64,109 -0.589,110 4.128,111 4.243,112 2.163,113 1,114 6.091,115 358.55,116 16.048,117 6.094,118 -1.515,119 -1.515,120 1.453,121 4.345,122 4.624,123 0.277,124 6.843,125 0.452,126 2.5,127 41.029,128 41,129 3.229,130 1.006,131 34.796,132 0.517,133 189.421,134 186.666,135 0.149,136 1.972,137 1.315,138 3.416,139 3.241,140 8.521,141 5,142 2.882,143 0.762,144 6.275,145 3.844,146 255.52,147 2.925,148 3.646,149 3.334,150 4.362,151 0.687,152 0.488,154 3.692,155 3.326,156 0.983,157 3.224,158 4.117,159 1.487,160 1.735,161 6.069,162 3.108,163 0.937,164 0.174,165 3.699,166 -0.405,167 -0.405,169 4.485,170 -0.386,171 -0.581,172 5.912,173 0.694,174 26.836,175 3.629,176 8.547,177 4.609,178 12.487,179 13.75,180 3.886,181 1,182 158.557,183 378.638,184 3.437,185 3.501,186 1,187 0.03,188 86.441,189 8.393,190 7.468,191 3.299,192 7.337,193 13.229,194 0.668,195 4.372,196 1.971,197 0.567,198 9.141,199 1,200 1.083,201 0.046,202 1.174,203 3.478,204 7.198,205 4.159,206 1.422,207 3.608,208 3.188,209 1.686,210 1.032,211 2.296,212 2.136,213 2.136,214 5.988,215 3.605,216 189.421,217 0.482,218 0.482,219 11,220 0.299,221 2.688,222 1.917,223 2.071,224 166.666,226 4.124,227 0.56,228 3.609,229 5.912,230 3.193,231 3.356,233 3.871,234 15,235 0.419,236 7.047,237 7.047,238 3.762,239 0.067,240 2.493,241 2.493,242 1,243 5.106,244 21,245 4.032,246 6.71,247 6.71,248 199.421,249 38,251 3.347,252 13.638,253 0.789,254 16.239,256 12.892,257 12.892,258 12.892,259 12.892,260 12.892,261 7.387,262 3.107,263 0.914,264 7.565,265 2.065,266 1,268 6.76,269 11.062,270 8.011,271 8.011,272 25.741,273 31.966,274 2.661,275 1.157,276 1.157,277 1.547,279 2.558,280 8.525,281 519,283 0.551,284 0.121,285 4.496,286 16.517,287 0.134,288 23,290 82,291 38.836,292 3.614,293 205.526,294 10.013,295 0.036,296 11.399,297 1.393,298 12.996,299 13.77,300 0.258,301 0.177,302 3.717,303 7.726,304 2.661,305 3.728,306 3.895,307 3.785,308 39.5,309 2.798,310 6.224,311 0.233,312 0.604,313 0.604,314 1.222,315 16.849,316 3.726,317 3.521,318 1.5,319 1,320 0.595,321 -0.81,322 37.927,323 4.279,324 1.66,325 1.654,326 1.957,327 46.152,328 3.718,329 16.206,330 16.206,331 16.206,332 16.206,333 16.206,334 6.086,335 0.602,336 1.451,337 3.28,338 4.78,339 4.498,340 4.912,341 -1.976,342 -1.976,343 0.954,344 11.399,345 4.985,346 1.153,347 1,348 10.087,349 128.613,350 5.214,351 2.948,352 6,353 3.276,354 38.626,355 6}
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{0 CHEMBL2005828,3 7.626,4 4.626,5 4.626,6 4.626,8 1,10 2,12 2.025,13 2,14 6.976,15 6.976,17 4.351,21 2.966,22 1.656,23 1.656,27 1.269,28 1.156,29 -0.141,31 3.933,32 0.917,33 36.022,35 1.224,36 4.902,40 5.677,41 5.677,42 1.607,43 1.493,44 1.424,45 0.84,46 14.34,48 68.919,49 2.732,50 2.732,51 4.666,52 4.666,53 3.451,54 3.232,55 2.687,56 2.687,57 3.187,58 3.187,59 4.017,60 3.068,61 3.81,62 6.091,63 16.724,64 2.365,66 2,67 102.49,68 1.129,69 1.566,70 3.244,71 3.092,72 8.002,74 16.777,75 14.456,76 0.811,77 2.009,78 6.531,79 1.344,80 0.709,81 0.064,82 1.898,83 1.088,84 1.375,85 3.501,86 1.5,87 21.037,88 49.402,89 0.483,90 0.483,91 0.227,92 4.849,93 4.643,94 4.559,95 5.439,96 4.368,97 4.51,98 -0.161,100 3.314,101 5.269,102 2.003,103 3.873,104 33.571,105 3.083,106 3.083,107 2.997,108 1.645,109 0.418,110 4.799,111 4.371,112 2.4,114 7.193,115 423.814,116 17.043,117 7.412,118 -0.201,119 -0.201,120 1.452,121 4.472,122 4.728,123 0.218,124 6.862,125 0.721,126 2.5,127 57.873,128 47,129 3.236,130 1.107,131 36.022,132 0.438,133 213.46,134 207.46,135 3.244,136 2.5,137 2.912,138 3.529,139 3.292,140 9.242,141 10,142 3.673,143 0.886,144 6.987,145 3.853,146 305.06,147 3.102,148 4.587,149 3.452,150 4.594,151 0.821,152 0.427,153 5.941,154 3.824,155 3.347,156 1.062,157 3.196,158 4.251,159 1.493,160 1.742,161 7.317,162 3.223,163 0.587,164 0.154,165 3.878,166 0.194,167 0.194,169 4.583,170 0.185,171 -0.084,172 6.786,173 1.053,174 30.506,175 3.736,176 8.701,177 4.815,178 12.672,179 13.974,180 4.029,182 182.806,183 437.807,184 3.536,185 3.574,186 1,187 5.111,188 118.978,189 10.565,190 7.766,191 3.436,192 8.208,193 15.02,194 0.622,195 5.525,196 2.022,197 1,198 10.684,200 1.216,201 -0.18,202 1.181,203 3.593,204 8.009,205 4.097,206 1.715,207 3.703,208 3.339,209 1.707,210 1.181,211 2.513,212 2.275,213 2.275,214 6.686,215 3.722,216 215.46,217 0.745,218 0.745,219 12.667,220 0.27,221 2.733,222 1.118,223 2.455,224 191.46,226 4.11,227 0.621,228 3.727,229 6.786,230 3.354,231 3.462,232 34.652,233 4.025,234 17,235 0.383,236 7.625,237 7.625,238 3.913,239 4.156,240 2.61,241 2.61,242 1,243 7.431,244 21,245 4.217,246 6.884,247 6.884,248 240.215,249 44,250 1,251 3.472,252 15.515,253 1,254 18.582,255 1,256 14.814,257 14.814,258 14.814,259 14.814,260 14.814,261 7.571,262 3.414,263 0.517,264 7.815,265 2.315,266 1,268 6.946,269 12.605,270 8.077,271 8.077,272 29.697,273 40.577,274 2.687,275 1.811,276 1.811,277 2.24,279 2.774,280 9.905,281 739,282 4.5,283 1.151,284 0.108,285 4.726,286 18.56,287 0.594,288 27,290 120,291 45.212,292 3.824,293 236.137,294 10.243,295 0.087,296 13.097,297 1.784,298 8.077,299 17.218,300 0.229,301 0.156,302 3.896,303 8.167,304 2.735,305 4.06,306 4.038,307 3.931,308 38.6,309 2.967,310 7.339,311 0.222,312 1,313 1,314 1.539,315 21.991,316 3.838,317 3.68,318 1.5,319 1,320 0.626,321 -0.301,322 44.465,323 4.435,324 1.821,325 1.694,326 2,327 35.769,328 4.006,329 18.309,330 18.309,331 18.309,332 18.309,333 18.309,334 7.13,335 0.681,336 1.517,337 3.415,338 5.897,339 4.694,340 4.715,341 -0.754,342 -0.754,343 1,344 13.097,345 4.851,346 1.352,347 1,348 12.444,349 162.241,350 5.354,351 3.194,352 8,353 3.394,354 44.783,355 5.1}
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{0 CHEMBL2006010,3 7.576,4 4.576,5 4.576,6 4.576,10 2,12 1.538,14 7.421,15 7.421,17 4.379,21 2.727,22 3.825,23 3.825,27 1.062,28 1.215,29 0.006,31 3.909,32 1.044,33 36.022,35 1.023,36 4.977,40 5.144,41 5.144,42 1.49,43 1.316,44 1.176,45 0.944,46 10.767,48 36.022,49 3.174,50 3.174,51 4.62,52 4.62,53 3.395,54 2.994,55 2.673,56 2.673,57 3.017,58 3.017,59 3.971,60 2.969,61 3.646,62 16.1,63 16.053,64 2.362,67 69.593,68 0.968,69 1.374,70 3.575,71 3.019,72 5.976,74 18.758,75 7.95,76 0.614,77 1.972,78 4.663,79 1.204,80 0.51,81 0.054,82 1.627,83 1.489,84 1.25,85 3.438,86 0.348,87 11.145,88 40.186,89 -0.623,90 -0.623,91 -0.335,92 4.537,93 4.383,94 4.409,95 3.973,96 4.221,97 4.325,98 -0.15,100 2.795,101 5.559,102 1.994,103 3.887,104 111.868,105 3.14,106 3.14,107 2.761,108 1.513,109 0.51,110 4.894,111 4.233,112 1.861,113 2,114 7.177,115 397.813,116 12.983,117 3.367,118 -1.296,119 -1.296,120 1.155,121 4.177,122 4.553,123 0.087,125 0.026,126 2.563,127 57.729,128 37,129 3.183,130 0.81,131 36.022,132 0.594,133 174.77,134 172.77,135 8.065,136 1.563,137 5.335,138 3.251,139 3.262,140 4.523,141 5,142 4.137,143 0.648,144 5.62,145 3.79,146 293.24,147 2.827,148 5.122,149 3.285,150 4.341,151 0.608,152 0.181,154 3.696,155 3.31,156 0.782,157 3.129,158 4.036,159 1.509,160 1.47,161 5.541,162 3.387,163 0.441,164 0.163,165 3.657,166 -0.25,167 -0.25,169 4.408,170 -0.233,171 -0.428,172 6.016,173 0.037,174 25.813,175 3.416,176 4.711,177 4.506,178 12.614,179 13.929,180 3.808,182 167.155,183 399.618,184 3.38,185 3.355,187 13.417,189 5.177,190 7.577,191 3.262,192 7.01,193 13.546,194 0.328,195 3.871,196 1.928,197 0.182,198 10.465,199 1,200 1.204,201 -0.18,202 0.913,203 3.584,204 6.891,205 3.374,206 0.89,207 4.123,208 3.304,209 1.44,210 0.808,211 2.526,212 2.53,213 2.53,214 5.628,215 3.416,216 174.77,217 0.031,218 0.031,219 12.219,220 0.344,221 2.597,222 0.906,223 2.211,224 153.26,226 4.077,227 0.721,228 3.517,229 5.825,230 3.26,231 3.297,232 70.025,233 3.951,234 9,235 0.417,236 8.232,237 8.232,238 3.72,239 10.736,240 2.659,241 2.659,243 8.513,244 16,245 3.893,246 7.116,247 7.116,248 179.525,249 35,250 1,251 3.337,252 14.54,253 0.901,254 16.886,256 13.797,257 13.797,258 13.797,259 13.797,260 13.797,261 7.533,262 3.002,263 0.419,264 8.531,265 3.031,266 1,268 6.942,269 11.085,270 10.945,271 10.945,272 26.239,273 44.465,274 2.723,275 0.082,276 0.082,277 2.267,279 2.567,280 9.244,281 569,282 2.9,283 0.726,284 0.119,285 4.678,286 17.436,287 0.212,288 26,290 101,291 42.89,292 3.679,293 167.093,294 10.291,295 0.202,296 12.253,297 1.452,298 7.473,299 18.554,300 0.254,301 0.165,302 3.786,303 8.092,304 2.618,305 2.011,306 3.979,307 3.775,308 25.7,309 3.24,310 3.671,311 0.237,312 0.289,313 0.289,314 1.727,315 12.133,316 3.661,317 3.549,318 1.58,319 1,320 0.799,321 -0.697,322 37.338,323 4.046,324 1.704,325 1.689,326 2.048,327 71.16,328 3.667,329 16.764,330 16.764,331 16.764,332 16.764,333 16.764,334 3.493,335 0.742,336 1.401,337 3.769,338 4.611,339 4.592,340 4.936,341 -1.965,342 -1.965,343 1.006,344 11.619,345 4.993,346 1.111,348 10.385,349 129.609,350 5.506,351 3.041,352 3,353 3.443,354 42.45,355 5.1}
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{0 CHEMBL2006188,3 7.086,4 4.086,5 4.086,6 4.086,7 1,8 1,9 1,11 2,12 1.791,13 2,14 6.642,15 6.642,16 2,17 4.788,18 1,19 1,20 1,21 2.921,22 1.081,23 1.081,24 -0.163,27 1.461,28 1.23,29 -0.077,31 3.925,32 1.048,33 57.654,35 1.398,36 4.605,37 1,38 2,39 2,40 4.417,41 4.417,42 1.819,43 1.692,44 1.807,45 1.056,46 33.13,47 0.5,48 68.919,49 2.856,50 2.856,51 4.422,52 4.422,53 3.628,54 2.82,55 2.81,56 2.81,57 3.046,58 3.046,59 4.066,60 3.31,61 3.584,62 1.859,63 32.643,64 2.623,67 85.704,68 1.193,69 1.816,70 3.097,71 3.315,72 11.659,73 3,74 24.683,75 34.496,76 1,77 2.018,78 16.365,79 1.541,80 0.947,81 0.15,82 1.904,83 1.452,84 1.613,85 3.703,86 1.5,87 31.68,88 65.394,89 1.251,90 1.251,91 0.759,92 5.167,93 4.946,94 4.878,95 11.496,96 4.634,97 4.818,98 -0.055,100 3.247,101 11.515,102 2.012,103 3.866,104 34.796,105 2.859,106 2.859,107 3.165,108 1.812,109 0.935,110 6.675,111 4.962,112 3.376,113 1,114 10.768,115 559.638,116 29.416,117 16.681,118 0.621,119 0.621,120 1.718,121 5.212,122 5.099,123 0.57,125 0.895,126 2.554,127 84.574,128 60,129 3.444,130 1.315,131 36.022,132 0.585,133 314.253,134 312.253,135 1.616,136 2.5,137 2.162,138 4.161,139 3.493,140 17.348,141 11,142 5.823,143 1.073,144 10.735,145 3.855,146 389.16,147 3.278,148 7.831,149 4.051,150 5.013,151 0.999,152 0.822,153 5.629,154 3.96,155 3.555,156 1.331,157 3.453,158 4.972,159 1.448,160 1.736,161 12.163,162 3.381,163 1.027,164 0.128,165 4.192,166 0.71,167 0.71,169 5.189,170 0.667,171 0.366,172 6.528,173 1.205,174 38.069,175 3.659,176 15.364,177 5.253,178 12.068,179 13.15,180 4.261,181 2,182 224.702,183 540.033,184 4.07,185 4.173,187 1.758,189 16.526,190 7.718,191 4.131,192 9.928,193 16.747,194 0.874,195 12.033,196 2.029,197 0.983,198 12.315,199 2,200 1.557,201 -0.089,202 1.435,203 3.703,204 9.642,205 2.939,206 1.901,207 3.84,208 3.44,209 1.697,210 1.26,211 2.702,212 2.61,213 2.61,214 8.091,215 3.651,216 314.253,217 0.895,218 0.895,219 14.267,220 0.334,221 2.945,223 1.922,224 277.724,226 4.032,227 0.823,228 4.198,229 6.528,230 4.004,231 3.659,232 95,233 4.007,234 28,235 0.317,236 8.697,237 8.697,238 4.128,239 1.674,240 2.707,241 2.707,242 1,243 7.429,244 18,245 4.996,246 6.495,247 6.495,248 339.763,249 58,251 3.626,252 18.365,253 1.125,254 21.185,256 15.713,257 15.713,258 15.713,259 15.713,260 15.713,261 7.532,262 3.456,263 0.722,264 7.7,265 2.2,266 6,267 1,268 6.932,269 14.132,270 8.967,271 8.967,272 35.837,273 55.059,274 2.974,275 2.136,276 2.136,277 1.885,278 3,279 3.206,280 10.257,281 731,282 3.4,283 1.653,284 0.096,285 4.874,286 20.939,287 0.873,288 30,290 122,291 46.69,292 4.092,293 240.987,294 10.08,295 0.14,296 14.618,297 1.531,298 4.071,299 21.817,300 0.203,301 0.138,302 4.086,303 8.53,304 2.943,305 7.148,306 4.124,307 4.171,308 48.3,309 3.098,310 11.831,311 0.217,312 1,313 1,314 1.62,315 34.792,316 4.021,317 4.091,318 1.565,320 0.561,321 -0.089,322 57.665,323 5.256,324 2.148,325 1.733,326 2.066,327 49.837,328 4.118,329 20.568,330 20.568,331 20.568,332 20.568,333 20.568,334 17.456,335 0.832,336 1.68,337 3.954,338 8.418,339 4.843,340 5.384,341 -0.185,342 -0.185,343 1.061,344 14.618,345 5.418,346 1.491,348 11.633,349 206.319,350 5.273,351 3.301,352 11,353 3.469,354 46.23,355 5.8}
{0 CHEMBL2006237,2 1,3 7.567,4 4.567,5 4.567,6 4.567,8 1,9 1,10 2,11 1,12 2.126,14 7.151,15 7.151,16 1,17 4.427,20 1,21 3.151,22 0.98,23 0.98,25 3.228,27 1.361,28 1.34,29 -0.057,31 3.882,32 0.989,33 48.066,35 1.306,36 4.783,37 1,38 1,39 1,40 5.695,41 5.695,42 1.793,43 1.592,44 1.939,45 0.963,46 25.777,47 0.5,48 67.693,49 2.802,50 2.802,51 4.623,52 4.623,53 3.564,54 3.019,55 3.034,56 3.034,57 3.091,58 3.091,59 3.809,60 3.235,61 3.745,62 0.994,63 26.878,64 2.548,66 1,67 107.513,68 1.151,69 1.819,70 3.048,71 3.263,72 10.523,73 7,74 24.048,75 23.321,76 1,77 2.023,78 12.598,79 1.486,80 0.7,81 0.119,82 1.98,83 1.474,84 1.561,85 3.64,86 1.425,87 34.646,88 63.85,89 1.138,90 1.138,91 0.64,92 5.273,93 5,94 4.926,95 7.981,96 4.677,97 4.887,98 -0.095,99 1,100 3.414,101 7.862,102 2.028,103 3.807,104 51.582,105 2.856,106 2.856,107 3.203,108 1.775,109 0.587,110 6.898,111 4.75,112 3.365,113 1,114 8.908,115 503.407,116 31.325,117 12.597,118 1.128,119 1.128,120 1.548,121 4.983,122 5.167,123 0.671,124 6.862,125 0.948,126 2.5,127 78.329,128 59,129 3.382,130 1.419,131 34.796,132 0.415,133 292.457,134 282.457,135 1.199,136 2.429,137 1.96,138 3.846,139 3.452,140 15.455,141 1,142 4.755,143 1.126,144 9.657,145 3.756,146 354.39,147 3.297,148 6.092,149 3.731,150 4.928,151 1.054,152 0.825,153 5.456,154 3.951,155 3.506,156 1.376,157 3.388,158 4.705,159 1.489,160 1.795,161 9.669,162 3.362,163 0.98,164 0.143,165 4.11,166 0.501,167 0.501,169 5.018,170 0.472,171 0.41,172 7.11,173 1,174 36.108,175 3.658,176 15.051,177 5.221,178 12.519,179 13.84,180 4.271,181 6,182 210.773,183 506.047,184 3.776,185 3.888,186 1,187 1.046,188 122.605,189 16.725,190 7.655,191 3.787,192 9.849,193 17.099,194 0.967,195 6.974,196 2.007,197 0.965,198 12.836,200 1.63,201 -0.063,202 1.483,203 3.54,204 9.638,205 3.347,206 1.95,207 3.768,208 3.407,209 1.722,210 1.341,211 2.94,212 2.863,213 2.863,214 7.979,215 3.65,216 292.457,217 1,218 1,219 13.633,220 0.259,221 2.95,222 1.339,223 2.116,224 247.928,226 4.132,227 0.829,228 3.991,229 7.11,230 3.685,231 3.598,232 48.687,233 4.06,234 27,235 0.339,236 7.195,237 7.195,238 4.123,239 1.111,240 2.619,241 2.619,242 2,243 7.437,244 21,245 4.624,246 6.694,247 6.694,248 325.212,249 56,251 3.582,252 17.789,253 1.146,254 20.799,255 1,256 15.826,257 15.826,258 15.826,259 15.826,260 15.826,261 7.603,262 3.466,263 0.469,264 7.644,265 2.144,266 8,268 6.984,269 13.518,270 9.047,271 9.047,272 34.133,273 45.066,274 2.866,275 2.275,276 2.275,277 2.376,279 3.608,280 10.405,281 843,282 1.8,283 1.445,284 0.099,285 4.828,286 20.163,287 0.843,288 29,290 135,291 48.097,292 3.99,293 207.527,294 10.148,295 0.098,296 14.097,297 1.52,298 9.217,299 19.832,300 0.209,301 0.144,302 4.051,303 8.377,304 2.948,305 6.665,306 4.107,307 4.138,308 48.2,309 3.166,310 11.277,311 0.215,312 1,313 1,314 1.634,315 32.917,316 3.994,317 3.868,318 1.5,319 1,320 0.571,321 -0.105,322 55.876,323 4.877,324 2.571,325 1.714,326 2.218,327 31.121,328 4.215,329 19.723,330 19.723,331 19.723,332 19.723,333 19.723,334 11.121,335 0.899,336 1.624,337 3.656,338 7.129,339 4.8,340 5.044,341 -0.244,342 -0.244,343 1.21,344 14.097,345 5.222,346 1.492,348 13.345,349 197.196,350 5.412,351 3.336,352 2,353 3.438,354 47.673,355 5.1}
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{0 CHEMBL2006276,3 7.133,4 4.133,5 4.133,6 4.133,12 1.462,14 6.64,15 6.64,17 4.248,21 2.813,22 1.058,23 1.058,27 1.163,28 1.132,29 -0.051,30 1,31 3.876,32 1.072,33 18.011,34 1,35 1.099,36 4.677,37 1,40 5.313,41 5.313,42 1.546,43 1.418,44 1.385,45 1.079,46 17.937,48 54.032,49 2.854,50 2.854,51 4.491,52 4.491,53 3.356,54 2.891,55 2.943,56 2.943,57 3.076,58 3.076,59 3.948,60 2.972,61 3.591,62 1.663,63 19.221,64 2.265,67 70.818,68 1.069,69 1.573,70 3.177,71 2.983,72 7.757,74 15.487,75 14.843,76 0.679,77 1.985,78 10.176,79 1.199,80 0.298,81 0.068,82 1.907,83 1.35,84 1.241,85 3.396,86 0.768,87 20.71,88 45.903,89 0.241,90 0.241,91 0.146,92 4.838,93 4.646,94 4.57,95 6.601,96 4.315,97 4.452,98 0.037,99 2,100 2.987,101 7.639,102 1.993,103 3.823,104 16.786,105 3.02,106 3.02,107 2.931,108 1.547,109 0.183,110 4.444,111 4.514,112 2.231,113 1,114 6.551,115 391.692,116 17.481,117 8.814,118 -0.475,119 -0.475,120 1.33,121 4.641,122 4.735,123 0.297,124 5.38,125 0.128,126 2.5,127 72.127,128 44,129 3.155,130 1.107,131 54.032,132 0.599,133 206.905,134 202.905,135 1.534,136 1.86,137 2.117,138 3.603,139 3.224,140 10.098,141 1,142 3.073,143 0.87,144 6.811,145 3.783,146 290.3,147 3.018,148 4.097,149 3.511,150 4.633,151 0.798,152 0.331,154 3.762,155 3.286,156 1.062,157 3.117,158 4.411,159 1.476,160 1.783,161 8.049,162 3.063,163 1,164 0.148,165 3.917,166 0.118,167 0.118,169 4.728,170 0.112,171 -0.168,172 6.76,173 0.165,174 28.5,175 3.696,176 8.449,177 4.841,178 12.169,179 13.298,180 3.958,182 169.347,183 404.967,184 3.681,185 3.766,187 1.603,189 9.778,190 7.65,191 3.382,192 7.686,193 14.122,194 0.575,195 5.234,196 1.966,197 0.604,198 10.261,199 2,200 1.236,201 0.046,202 1.181,203 3.571,204 7.515,205 3.465,206 1.082,207 3.831,208 3.268,209 1.747,210 1.116,211 2.609,212 2.136,213 2.136,214 6.256,215 3.693,216 206.905,217 0.138,218 0.138,219 11.767,220 0.323,221 2.717,223 2.054,224 174.15,226 4.045,227 0.619,228 3.889,229 6.76,230 3.308,231 3.402,232 36.145,233 3.989,234 16,235 0.379,236 7.679,237 7.679,238 3.846,239 1.558,240 2.602,241 2.602,242 1,243 7.429,244 21,245 4.207,246 6.619,247 6.619,248 219.66,249 41,251 3.409,252 14.998,253 1,254 17.362,256 13.797,257 13.797,258 13.797,259 13.797,260 13.797,261 7.523,262 3.204,263 0.682,264 7.753,265 2.253,266 1,268 6.882,269 11.758,270 9.598,271 9.598,272 27.676,273 35.818,274 2.687,275 0.339,276 0.339,277 2.128,279 2.784,280 9.407,281 521,282 4.9,283 1.065,284 0.113,285 4.614,286 17.7,287 0.414,288 25,290 84,291 41.551,292 3.873,293 202.523,294 10.102,295 0.049,296 12.242,297 1.394,298 4.005,299 15.633,300 0.236,301 0.16,302 3.918,303 7.995,304 2.735,305 3.891,306 3.971,307 3.936,308 39,309 2.949,310 6.552,311 0.228,312 0.683,313 0.683,314 1.448,315 21.768,316 3.769,317 3.826,318 1.5,319 2,320 0.62,321 -0.543,322 41.363,323 4.432,324 1.916,325 1.683,326 1.984,327 87.329,328 3.681,329 17.317,330 17.317,331 17.317,332 17.317,333 17.317,334 6.705,335 0.621,336 1.44,337 3.451,338 5.428,339 4.592,340 4.949,341 -1.22,342 -1.22,343 0.983,344 12.242,345 5.046,346 1.292,347 1,348 9.48,349 134.566,350 5.304,351 3.142,352 4,353 3.299,354 41.257,355 5.1}
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{0 CHEMBL2012703,2 1,3 7.64,4 4.64,5 4.64,6 4.64,10 2,12 2.132,14 7.96,15 7.96,17 4.492,20 3,21 3.414,22 3.825,23 3.825,25 2.37,27 1.374,28 1.319,29 0.058,31 3.976,32 1.206,33 12.634,35 1.308,36 5.103,40 5.792,41 5.792,42 1.81,43 1.643,44 2.014,45 1.29,46 51.608,47 0.5,48 34.674,49 3.128,50 3.128,51 4.757,52 4.757,53 3.652,54 3.215,55 4.552,56 4.552,57 3.179,58 3.179,59 4.136,60 3.091,61 4.618,62 16.1,63 51.964,64 2.975,67 94.281,68 1.167,69 1.767,70 3.372,71 3.155,72 12.584,73 6,74 33.633,75 33.313,76 1.146,77 1.984,78 19.378,79 1.522,80 1.131,81 0.097,82 1.889,83 1.787,84 1.597,85 3.73,86 1.545,87 39.629,88 68.517,89 2.275,90 2.275,91 1,92 5.384,93 5.141,94 4.965,95 11.682,96 4.789,97 5.001,98 -0.022,99 1,100 3.484,101 13.653,102 2,103 4.026,104 107.393,105 3.043,106 3.043,107 3.183,108 1.81,109 0.843,110 7.819,111 5.186,112 3.435,114 9.629,115 555.972,116 31.547,117 15.499,118 1.612,119 1.612,120 1.593,121 5.403,122 5.174,123 0.72,124 6.88,125 0.984,126 2.586,127 62.097,128 62,129 3.446,130 1.429,131 34.674,132 0.485,133 296.056,134 286.056,135 8.058,136 2.531,137 5.335,138 4.07,139 3.409,140 19.561,141 2,142 5.194,143 1.153,144 10.235,145 3.889,146 392.66,147 3.255,148 7.009,149 3.98,150 5.197,151 1.064,152 0.825,154 4.039,155 3.469,156 1.376,157 3.442,158 5.123,159 1.53,160 1.647,161 13.339,162 3.437,163 0.631,164 0.129,165 4.304,166 1,167 1,168 1,169 5.439,170 0.965,171 0.58,172 8.412,173 1.133,174 38.091,175 3.532,176 14.674,177 5.45,178 12.767,179 14.133,180 4.337,181 6,182 228.426,183 549.12,184 4.169,185 4.28,186 1,187 13.416,188 144.242,189 18.233,190 7.927,191 3.944,192 10.371,193 18.764,194 0.926,195 9.88,196 1.939,197 0.987,198 14.817,200 1.939,201 -0.142,202 1.501,203 3.838,204 10.074,205 3.195,206 1.99,207 4.086,208 3.532,209 1.573,210 1.422,211 3.334,212 3.866,213 3.866,214 8.305,215 3.521,216 296.056,217 1.036,218 1.036,219 15.271,220 0.283,221 3.002,222 -0.015,223 2.25,224 265.037,226 4.108,227 1.019,228 4.334,229 8.082,230 3.843,231 3.633,232 44.88,233 4.248,234 26,235 0.357,236 10.264,237 10.264,238 4.197,239 10.734,240 2.959,241 2.959,242 2,243 8.513,244 21,245 4.851,246 7.356,247 7.356,248 347.076,249 59,251 3.643,252 19.649,253 1.228,254 22.905,256 17.765,257 17.765,258 17.765,259 17.765,260 17.765,261 7.843,262 3.828,263 0.339,264 8.036,265 2.536,266 10,268 7.2,269 14.398,270 10.577,271 10.577,272 36.943,273 54.479,274 3.036,275 2.346,276 2.346,277 2.613,279 4.251,280 11.759,281 889,283 1.967,284 0.096,285 5.014,286 22.518,287 1.281,288 33,290 153,291 55.686,292 4.236,293 189.436,294 10.445,295 0.306,296 15.647,297 1.742,298 11.515,299 24.022,300 0.204,301 0.132,302 4.185,303 8.78,304 3.011,305 6.359,306 4.221,307 4.235,308 44.1,309 3.371,310 10.627,311 0.208,312 1.069,313 1.069,314 1.888,315 44.854,316 4.038,317 4.236,318 1.6,319 1,320 0.646,321 0.308,322 60.396,323 5.114,324 3.053,325 1.752,326 2.317,327 97.064,328 4.228,329 21.54,330 21.54,331 21.54,332 21.54,333 21.54,334 13.333,335 1.115,336 1.73,337 4.053,338 7.47,339 4.943,340 4.848,341 0.843,342 0.843,343 1.286,344 14.724,345 5.018,346 1.521,348 12.636,349 217.818,350 5.818,351 3.368,352 2,353 3.55,354 55.475,355 7.131}
{0 CHEMBL201511,2 1,3 7.573,4 4.573,5 4.573,6 4.573,10 2,12 1.339,14 7.539,15 7.539,17 4.099,20 3,21 2.859,22 1.2,23 1.2,25 3.141,27 1.227,28 1.19,29 0.065,31 3.957,32 1.086,33 18.011,35 1.175,36 5.056,37 4,40 5.999,41 5.999,42 1.565,43 1.562,44 1.576,45 1.095,46 27.732,48 34.796,49 3.064,50 3.064,51 4.75,52 4.75,53 3.371,54 3.148,55 3.366,56 3.366,57 3.36,58 3.36,59 4.295,60 3.006,61 4.094,62 2.993,63 25.93,64 2.49,65 1,67 34.796,68 1.097,69 1.59,70 3.371,71 3.026,72 8.897,74 21.119,75 23.697,76 0.965,77 1.983,78 11.476,79 1.282,80 0.916,81 0.102,82 1.74,83 1.546,84 1.31,85 3.431,86 1.134,87 18.867,88 51.365,89 0.603,90 0.603,91 0.452,92 4.821,93 4.703,94 4.575,95 9.803,96 4.464,97 4.591,98 -0.24,99 1,100 3.145,101 9.893,102 1.993,103 3.925,105 2.901,106 2.901,107 3.175,108 1.615,109 0.783,110 5.409,111 4.845,112 2.458,114 7.243,115 447.576,116 16.467,117 12.541,118 0.399,119 0.399,120 1.572,121 5.011,122 4.68,123 0.565,124 7.627,125 0.495,126 2.527,127 34.796,128 49,129 3.225,130 1.344,131 34.796,132 0.672,133 213.555,134 206.8,135 2.295,136 2.171,137 2.4,138 3.907,139 3.303,140 11.139,141 9,142 2.955,143 1.097,144 7.917,145 3.879,146 329.27,147 3.252,148 4.77,149 3.868,150 4.88,151 1.019,152 0.577,154 3.883,155 3.355,156 1.337,157 3.215,158 4.803,159 1.512,160 1.599,161 10.096,162 3.144,163 1.095,164 0.148,165 4.073,166 0.396,167 0.396,169 5.004,170 0.342,171 0.259,172 7.803,173 0.739,174 31.375,175 3.591,176 8.759,177 5.037,178 12.835,179 14.182,180 4.048,182 186.932,183 447.874,184 4.005,185 4.024,186 1,187 2.703,188 102.633,189 10.144,190 8.077,191 3.718,192 8.367,193 15.613,194 0.584,195 8.008,196 1.961,197 0.859,198 11.33,200 1.092,201 -0.088,202 1.343,203 3.864,204 8.108,205 3.454,206 1.48,207 4.026,208 3.376,209 1.576,210 1.32,211 2.824,212 2.623,213 2.623,214 6.758,215 3.563,216 223.819,217 0.515,218 0.515,219 12.967,220 0.341,221 2.887,222 1.73,223 2.32,224 188.535,226 4.154,227 0.754,228 4.09,229 7.803,230 3.675,231 3.487,232 83.29,233 4.205,234 18,235 0.398,236 9.88,237 9.88,238 3.961,239 2.462,240 2.891,241 2.891,242 1,243 7.45,244 20,245 4.657,246 7.109,247 7.109,248 254.084,249 46,251 3.507,252 17,253 1.096,254 19.216,256 15.091,257 15.091,258 15.091,259 15.091,260 15.091,261 7.763,262 3.572,263 0.698,264 7.923,265 2.423,266 3,268 7.052,269 12.867,270 10.397,271 10.397,272 30.831,273 42.032,274 2.872,275 1.229,276 1.229,277 2.523,279 3.491,280 10.872,281 557,282 10.9,283 1.27,284 0.109,285 4.781,286 19.818,287 0.757,288 28,290 91,291 47.07,292 4.072,293 175.949,294 10.418,295 0.086,296 13.583,297 1.695,299 18.442,300 0.229,301 0.153,302 4.008,303 8.36,304 2.889,305 4.517,306 4.068,307 4.002,308 39.1,309 3.072,310 7.501,311 0.221,312 0.944,313 0.944,314 1.927,315 26.784,316 3.869,317 4.081,318 1.479,319 1,320 0.644,321 -0.233,322 46.909,323 4.852,324 2.3,325 1.719,326 2.029,327 80.831,328 3.719,329 19.248,330 19.248,331 19.248,332 19.248,333 19.248,334 9.517,335 0.628,336 1.558,337 3.957,338 6.809,339 4.723,340 4.496,341 -0.532,342 -0.532,343 1.01,344 13.583,345 4.642,346 1.519,347 1,348 9.25,349 166.129,350 5.761,351 3.304,353 3.271,354 46.599,355 4}
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{0 CHEMBL2035026,3 7.7,4 4.7,5 4.7,6 4.7,8 3,9 3,10 2,11 1,12 1.449,14 7.68,15 7.68,16 2,17 4.363,18 1,19 1,21 3.359,22 0.522,23 0.522,27 1.551,28 1.486,29 0.035,31 3.983,32 1.064,33 42.606,35 1.48,36 4.987,38 3,39 1,40 5.619,41 5.619,42 1.855,43 1.735,44 1.905,45 1.068,46 28.214,47 0.5,48 32.897,49 3.334,50 3.334,51 4.751,52 4.751,53 3.719,54 3.062,55 2.846,56 2.846,57 3.413,58 3.413,59 4.147,60 3.281,61 3.669,62 0.001,63 29.08,64 2.939,66 1,67 68.367,68 1.247,69 1.871,70 3.349,71 3.275,72 11.102,73 4,74 23.23,75 26.019,76 0.934,77 2.06,78 16.413,79 1.628,80 0.818,81 0.071,82 1.901,83 1.176,84 1.675,85 3.767,86 1.5,87 28.685,88 58.145,89 1.803,90 1.803,91 0.878,92 5.109,93 4.888,94 4.819,95 10.997,96 4.569,97 4.747,98 -0.038,99 1,100 3.368,101 11.456,102 2.054,103 3.912,104 33.571,105 3.385,106 3.385,107 2.942,108 1.843,109 0.301,110 6.668,111 4.896,112 3.408,113 1,114 6.664,115 468.606,116 26.666,117 15.81,118 0.446,119 0.446,120 1.722,121 5.092,122 5.037,123 0.394,124 6.843,125 0.836,126 2.5,127 75.898,128 56,129 3.614,130 1.107,132 0.55,133 259.668,134 252.913,135 0.039,136 2.5,137 1.043,138 4.124,139 3.449,140 16.687,141 16,142 2.809,143 0.886,144 10.397,145 3.898,146 335.96,147 3.029,148 4.119,149 3.978,150 4.927,151 0.821,152 0.823,153 6.505,154 3.998,155 3.526,156 1.062,157 3.621,158 4.847,159 1.506,160 1.775,161 11.605,162 3.312,163 0.997,164 0.147,165 4.252,166 0.781,167 0.781,169 5.124,170 0.738,171 0.272,172 7.661,173 1.119,174 35.637,175 3.748,176 14.868,177 5.159,178 12.853,179 14.196,180 4.175,181 1,182 201.923,183 484.452,184 4.116,185 4.236,186 1,187 0.003,188 111.845,189 15.91,190 8.265,191 3.937,192 9.917,193 17.681,194 1.029,195 10.127,196 2.065,197 1,198 11.978,199 1,200 1.564,201 -0.096,202 1.217,203 3.733,204 9.662,205 4.209,206 1.834,207 4.307,208 3.376,209 1.737,210 1.181,211 3.247,212 2.275,213 2.275,214 8.004,215 3.746,216 259.668,217 0.864,218 0.864,219 13.6,220 0.289,221 2.799,222 2.063,223 2.25,224 226.874,226 4.16,227 0.83,228 4.27,229 7.661,230 3.762,231 3.66,232 82.398,233 4.234,234 24,235 0.413,236 9.377,237 9.377,238 4.046,239 0.011,240 2.769,241 2.769,242 1,243 5.097,244 25,245 4.739,246 7.482,247 7.482,248 296.423,249 52,251 3.618,252 16.986,253 1,254 20.43,255 3,256 15.72,257 15.72,258 15.72,259 15.72,260 15.72,261 7.793,262 3.414,263 0.808,264 7.461,265 1.961,266 6,268 7.162,269 13.431,270 12.325,271 12.325,272 33.354,273 37.421,274 2.703,275 1.922,276 1.922,277 1.965,278 7,279 4.033,280 11.384,281 603,283 1.727,284 0.108,285 4.777,286 19.711,287 1,288 28,290 95,291 48.732,292 4.153,293 209.641,294 10.441,295 0.11,296 13.694,297 1.655,298 9.379,299 17.304,300 0.234,301 0.148,302 4.12,303 8.342,304 2.798,305 6.491,306 4.083,307 4.21,308 46.2,309 3.039,310 11.231,311 0.213,312 1,313 1,314 1.334,315 30.183,316 4.062,317 4.162,318 1.5,319 1,320 0.546,322 51.243,323 5.012,324 2.705,325 1.717,326 2,327 28.59,328 3.922,329 19.446,330 19.446,331 19.446,332 19.446,333 19.446,334 14.682,335 0.762,336 1.735,337 3.764,338 7.957,339 4.749,340 4.864,343 1,344 13.694,345 4.994,346 1.405,347 1,348 9.607,349 178.276,350 5.733,351 3.234,352 7,353 3.619,354 48.207,355 5.047}
{0 CHEMBL2035027,3 7.589,4 4.589,5 4.589,6 4.589,8 3,9 3,10 2,11 1,12 1.457,14 7.56,15 7.56,16 4,17 3.753,18 1,19 1,21 3.324,22 0.522,23 0.522,27 1.338,28 1.486,29 0.001,31 3.976,32 1.034,33 40.501,35 1.295,36 4.89,38 3,39 2,40 4.768,41 4.768,42 1.858,43 1.488,44 1.906,45 1.032,46 23.37,47 0.5,48 32.897,49 3.267,50 3.267,51 4.681,52 4.681,53 3.716,54 3.003,55 2.928,56 2.928,57 3.413,58 3.413,59 4.057,60 3.247,61 3.611,62 0.001,63 25.198,64 2.905,66 1,67 49.683,68 1.308,69 1.894,70 3.268,71 3.247,72 10.966,73 3,74 20.32,75 21.479,76 0.917,77 2.093,78 15.664,79 1.685,80 0.721,81 0.057,82 1.938,83 1.279,84 1.727,85 3.759,86 1.5,87 26.65,88 54.149,89 1.746,90 1.746,91 0.881,92 5.045,93 4.823,94 4.768,95 10.291,96 4.48,97 4.631,98 0.002,100 3.363,101 11.132,102 2.078,103 3.904,104 16.786,105 3.384,106 3.384,107 2.911,108 1.836,110 6.032,111 4.77,112 3.075,113 1,114 6.332,115 445.592,116 24.641,117 14.511,120 1.486,121 4.918,122 4.972,123 0.347,125 0.826,126 2.5,127 52.305,128 53,129 3.62,130 1.107,132 0.54,133 243.121,134 227.511,135 0.039,136 2.5,137 1.043,138 4.03,139 3.354,140 15.779,141 26,142 2.737,143 0.886,144 10.442,145 3.905,146 328.62,147 3.031,148 3.806,149 3.876,150 4.827,151 0.821,152 0.563,153 6.493,154 3.986,155 3.404,156 1.062,157 3.63,158 4.684,159 1.501,160 1.841,161 11.21,162 3.271,163 0.858,164 0.148,165 4.214,166 0.719,167 0.719,169 4.995,170 0.703,172 7.461,173 1.081,174 34.625,175 3.766,176 14.647,177 5.054,178 12.719,179 14.003,180 4.097,182 194.999,183 467.558,184 4.028,185 4.166,187 0.003,189 15.43,190 8.256,191 3.824,192 9.55,193 17.219,194 1.029,195 8.819,196 2.115,197 1,198 11.489,199 1,200 1.401,201 -0.053,202 1.203,203 3.643,204 9.315,205 4.556,206 1.824,207 4.259,208 3.341,209 1.812,210 1.181,211 3.247,212 2.275,213 2.275,214 7.709,215 3.775,216 245.121,217 0.843,218 0.843,219 13.3,220 0.286,221 2.746,222 2.388,223 2.209,224 183.896,226 4.137,227 0.753,228 4.218,229 7.461,230 3.662,231 3.663,232 47.084,233 4.174,234 22,235 0.426,236 8.733,237 8.733,238 3.98,239 0.011,240 2.647,241 2.647,242 1,243 5.054,244 26,245 4.563,246 7.482,247 7.482,248 275.121,249 49,251 3.609,252 16.186,253 1,254 19.743,255 3,256 15.309,257 15.309,258 15.309,259 15.309,260 15.309,261 7.725,262 3.414,263 0.833,264 7.441,265 1.941,266 4,268 7.122,269 13.15,270 11.886,271 11.886,272 32.311,273 35.569,274 2.687,275 1.899,276 1.899,277 1.745,278 4,279 3.909,280 10.88,281 583,283 1.699,284 0.112,285 4.725,286 18.851,287 0.903,288 27,290 91,291 47.146,292 4.101,293 210.17,294 10.377,295 0.078,296 13.245,297 1.533,298 4.848,299 16.23,300 0.241,301 0.151,302 4.111,303 8.23,304 2.753,305 6.125,306 4.052,307 4.214,308 44.9,309 2.961,310 10.69,311 0.215,312 1,313 1,314 1.318,315 26.893,316 4.063,317 4.098,318 1.5,319 1,320 0.537,321 -0.078,322 48.04,323 4.825,324 2.674,325 1.706,326 2,327 29.692,328 3.901,329 18.783,330 18.783,331 18.783,332 18.783,333 18.783,334 12.5,335 0.621,336 1.482,337 3.641,338 7.7,339 4.708,340 4.643,341 -0.213,342 -0.213,343 1,344 13.245,345 4.962,346 1.234,348 9.556,349 144.693,350 5.689,351 3.102,352 12,353 3.614,354 46.555,355 6.521}
{0 CHEMBL2035028,3 7.589,4 4.589,5 4.589,6 4.589,8 3,9 3,10 2,11 1,12 1.457,14 7.56,15 7.56,16 3,17 4.037,18 1,19 1,21 3.324,22 0.522,23 0.522,27 1.324,28 1.486,29 0.049,31 3.972,32 1.018,33 40.501,35 1.278,36 4.89,38 3,39 2,40 4.768,41 4.768,42 1.853,43 1.481,44 1.906,45 1.024,46 22.373,47 0.5,48 32.897,49 3.267,50 3.267,51 4.681,52 4.681,53 3.712,54 3.003,55 2.928,56 2.928,57 3.413,58 3.413,59 4.057,60 3.227,61 3.611,62 0.001,63 24.791,64 2.905,66 1,67 66.468,68 1.266,69 1.884,70 3.268,71 3.229,72 10.347,73 3,74 20.022,75 20.069,76 0.917,77 2.088,78 14.699,79 1.678,80 0.721,81 0.058,82 1.929,83 1.279,84 1.72,85 3.756,86 1.5,87 25.317,88 53.232,89 1.746,90 1.746,91 0.881,92 5.006,93 4.788,94 4.743,95 9.234,96 4.465,97 4.62,98 -0.029,100 3.363,101 10.461,102 2.076,103 3.901,104 33.571,105 3.384,106 3.384,107 2.909,108 1.833,110 5.951,111 4.754,112 2.997,113 2,114 6.296,115 440.272,116 23.773,117 12.997,120 1.478,121 4.877,122 4.948,123 0.325,125 0.825,126 2.5,127 63.497,128 52,129 3.614,130 1.107,132 0.54,133 238.078,134 231.323,135 0.039,136 2.5,137 1.043,138 3.965,139 3.345,140 15.056,141 21,142 2.718,143 0.886,144 9.777,145 3.897,146 322.32,147 3.026,148 3.771,149 3.83,150 4.808,151 0.821,152 0.534,153 6.484,154 3.961,155 3.398,156 1.062,157 3.623,158 4.642,159 1.501,160 1.821,161 10.729,162 3.264,163 0.899,164 0.148,165 4.182,166 0.719,167 0.719,169 4.983,170 0.686,172 7.461,173 1.081,174 33.87,175 3.746,176 13.64,177 5.035,178 12.719,179 14.003,180 4.086,182 192.201,183 460.731,184 3.994,185 4.12,187 0.003,189 14.491,190 8.237,191 3.767,192 9.394,193 17.027,194 0.981,195 7.833,196 2.099,197 1,198 11.489,199 2,200 1.418,201 -0.027,202 1.181,203 3.633,204 9.175,205 4.556,206 1.823,207 4.256,208 3.341,209 1.789,210 1.181,211 3.247,212 2.275,213 2.275,214 7.586,215 3.75,216 238.078,217 0.843,218 0.843,219 13.2,220 0.286,221 2.744,222 2.027,223 2.209,224 193.76,226 4.127,227 0.742,228 4.188,229 7.461,230 3.623,231 3.633,232 47.084,233 4.174,234 21,235 0.426,236 8.733,237 8.733,238 3.968,239 0.011,240 2.647,241 2.647,242 1,243 5.077,244 26,245 4.502,246 7.482,247 7.482,248 268.078,249 48,251 3.589,252 16.186,253 1,254 19.613,255 3,256 15.309,257 15.309,258 15.309,259 15.309,260 15.309,261 7.725,262 3.414,263 0.836,264 7.478,265 1.978,266 4,268 7.122,269 13.081,270 11.886,271 11.886,272 31.805,273 35.569,274 2.687,275 1.899,276 1.899,277 1.745,278 4,279 3.795,280 10.88,281 583,283 1.675,284 0.112,285 4.725,286 18.915,287 0.9,288 27,290 91,291 47.146,292 4.077,293 216.622,294 10.377,295 0.078,296 13.245,297 1.524,298 9.274,299 16.17,300 0.241,301 0.151,302 4.083,303 8.23,304 2.751,305 5.756,306 4.052,307 4.175,308 43.8,309 2.939,310 9.992,311 0.215,312 1,313 1,314 1.318,315 26.156,316 4.028,317 4.076,318 1.5,319 1,320 0.55,321 -0.077,322 47.258,323 4.758,324 2.572,325 1.706,326 2,327 38.311,328 3.901,329 18.783,330 18.783,331 18.783,332 18.783,333 18.783,334 11.082,335 0.648,336 1.477,337 3.647,338 7.269,339 4.708,340 4.819,341 -0.213,342 -0.213,343 1,344 13.245,345 4.96,346 1.233,347 1,348 9.556,349 150.899,350 5.689,351 3.074,352 9,353 3.611,354 46.557,355 6.726}
{0 CHEMBL2035029,3 7.589,4 4.589,5 4.589,6 4.589,8 3,9 3,10 2,11 1,12 1.457,14 7.56,15 7.56,16 4,17 4.038,18 1,19 1,21 3.324,22 0.522,23 0.522,27 1.264,28 1.486,29 -0.022,31 3.973,32 1.044,33 40.501,35 1.213,36 4.89,38 3,39 2,40 4.768,41 4.768,42 1.852,43 1.444,44 1.906,45 1.056,46 23.021,47 0.5,48 32.897,49 3.267,50 3.267,51 4.681,52 4.681,53 3.711,54 3.003,55 2.928,56 2.928,57 3.413,58 3.413,59 4.057,60 3.161,61 3.611,62 0.001,63 24.756,64 2.905,66 1,67 66.468,68 1.281,69 1.882,70 3.268,71 3.174,72 10.524,73 3,74 20.038,75 20.634,76 0.917,77 2.089,78 15.109,79 1.677,80 0.721,81 0.058,82 1.93,83 1.279,84 1.72,85 3.756,86 1.5,87 25.914,88 53.232,89 1.746,90 1.746,91 0.881,92 5.027,93 4.805,94 4.74,95 9.617,96 4.465,97 4.62,98 0.046,100 3.363,101 10.759,102 2.076,103 3.902,104 33.571,105 3.384,106 3.384,107 2.903,108 1.833,110 5.952,111 4.758,112 2.986,113 2,114 6.296,115 440.272,116 23.521,117 13.562,120 1.411,121 4.905,122 4.941,123 0.346,125 0.825,126 2.5,127 70.4,128 52,129 3.613,130 1.107,132 0.54,133 238.078,134 229.323,135 0.039,136 2.5,137 1.043,138 3.976,139 3.314,140 15.234,141 21,142 2.718,143 0.886,144 9.854,145 3.899,146 322.32,147 3.026,148 3.771,149 3.836,150 4.806,151 0.821,152 0.45,153 6.486,154 3.964,155 3.374,156 1.062,157 3.622,158 4.666,159 1.501,160 1.824,161 10.861,162 3.245,163 0.936,164 0.148,165 4.189,166 0.719,167 0.719,169 4.984,170 0.692,172 7.461,173 1.081,174 33.87,175 3.75,176 13.735,177 5.031,178 12.719,179 14.003,180 4.086,182 192.201,183 460.731,184 4.005,185 4.137,187 0.003,189 14.747,190 8.248,191 3.744,192 9.382,193 17.035,194 0.993,195 7.753,196 2.102,197 1,198 11.489,199 3,200 1.399,201 -0.031,202 1.191,203 3.639,204 9.16,205 4.556,206 1.824,207 4.258,208 3.341,209 1.793,210 1.181,211 3.247,212 2.275,213 2.275,214 7.575,215 3.755,216 238.078,217 0.843,218 0.843,219 13.2,220 0.286,221 2.724,222 2.215,223 2.209,224 193.839,226 4.13,227 0.742,228 4.196,229 7.461,230 3.605,231 3.633,232 47.084,233 4.174,234 21,235 0.426,236 8.733,237 8.733,238 3.968,239 0.011,240 2.647,241 2.647,242 1,243 5.069,244 26,245 4.516,246 7.482,247 7.482,248 268.078,249 48,251 3.589,252 16.186,253 1,254 19.613,255 3,256 15.309,257 15.309,258 15.309,259 15.309,260 15.309,261 7.725,262 3.414,263 0.856,264 7.478,265 1.978,266 4,268 7.122,269 13.076,270 11.886,271 11.886,272 31.805,273 35.569,274 2.687,275 1.899,276 1.899,277 1.745,278 4,279 3.809,280 10.88,281 583,283 1.684,284 0.112,285 4.725,286 18.916,287 0.9,288 27,290 91,291 47.146,292 4.083,293 216.622,294 10.377,295 0.078,296 13.245,297 1.5,298 9.059,299 16.17,300 0.241,301 0.151,302 4.091,303 8.23,304 2.735,305 5.756,306 4.052,307 4.184,308 43.8,309 2.959,310 9.977,311 0.215,312 1,313 1,314 1.318,315 26.004,316 4.032,317 4.081,318 1.5,319 1,320 0.55,321 -0.077,322 47.258,323 4.78,324 2.581,325 1.706,326 2,327 47.787,328 3.901,329 18.783,330 18.783,331 18.783,332 18.783,333 18.783,334 11.006,335 0.648,336 1.453,337 3.653,338 7.263,339 4.708,340 4.778,341 -0.213,342 -0.213,343 1,344 13.245,345 4.96,346 1.234,347 1,348 9.556,349 150.979,350 5.689,351 3.098,352 11,353 3.611,354 46.552,355 6.932}
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{0 CHEMBL210032,1 1,3 7.24,4 4.24,5 4.24,6 4.24,8 2,11 1,12 0.975,13 3,14 4.57,15 4.57,17 4.018,21 1.555,22 2.035,23 2.035,27 0.95,28 1.134,29 -0.292,30 1,31 3.773,32 1.177,33 18.011,34 1,35 0.886,36 4.388,40 2.854,41 2.854,42 1.275,43 1.252,44 0.5,45 1.189,46 12.784,48 50.908,49 2.514,50 2.514,51 4.526,52 4.526,53 3.148,54 2.597,55 -0.208,56 -0.208,57 3.068,58 3.068,59 3.753,60 2.829,61 2.682,62 9.429,63 11.89,64 1.114,66 2,67 98.753,68 0.89,69 1.216,70 3.534,71 2.839,72 4.819,74 10.447,75 11.235,76 -0.346,77 1.881,78 5.851,79 1.029,80 -0.772,81 0.063,82 1.696,83 0.804,84 1.08,85 3.209,86 -0.664,87 12.706,88 34.863,89 -2.28,90 -2.28,91 -1.486,92 4.385,93 4.178,94 4.18,95 4.225,96 3.95,97 4.103,98 0.029,100 1.856,101 4.387,102 1.881,103 3.707,104 16.786,105 2.49,106 2.49,107 2.835,108 1.289,109 -1,110 3.224,111 4.115,112 1.678,113 1,114 5.408,115 331.039,116 12.29,117 5.59,118 -2.347,119 -2.347,120 1.194,121 4.301,122 4.36,123 0.054,125 -0.912,126 0.977,127 60.652,128 32,129 2.995,130 0.869,131 34.612,132 1.018,133 138.825,134 136.07,135 5.291,136 0.903,137 4.069,138 3.157,139 3.013,140 4.886,141 5,142 2.833,143 0.457,144 4.397,145 3.682,146 233.27,147 2.919,148 3.675,149 3.052,150 4.134,151 0.344,152 0.218,153 5.832,154 3.407,155 3.117,156 0.864,157 2.976,158 4.057,159 1.461,160 1.455,161 3.853,162 2.904,163 0.489,164 0.212,165 3.496,166 -1,167 -1,169 4.321,170 -1,171 -1.094,172 4.03,173 -1.228,174 21.523,175 3.337,176 5.455,177 4.327,178 11.912,179 13.099,180 3.651,182 135.103,183 321.412,184 3.312,185 3.376,187 8.039,189 6.582,190 7.304,191 2.757,192 5.589,193 9.841,194 0.28,195 3.783,196 1.855,197 -0.466,198 7.14,200 0.841,201 -0.158,202 1.014,203 3.339,204 5.418,205 2.516,206 0.101,207 3.494,208 3.011,209 1.405,210 0.839,211 1.397,212 -0.897,213 -0.897,214 4.553,215 3.311,216 138.825,217 -0.94,218 -0.94,219 8.933,220 0.504,221 2.576,223 1.5,224 124.561,226 4.008,227 0.55,228 3.452,229 4.03,230 2.597,231 3.107,232 25.145,233 3.555,234 12,235 0.539,236 6.959,237 6.959,238 3.528,239 6.657,240 2.359,241 2.359,243 7.43,244 12,245 3.796,246 6.679,247 6.679,248 153.58,249 31,251 3.102,252 10.882,253 -0.044,254 12.726,256 9.826,257 9.826,258 9.826,259 9.826,260 9.826,261 7.104,262 2.247,263 0.475,264 8.079,265 2.579,266 1,268 6.5,269 8.827,270 7.528,271 7.528,272 20.908,273 33.31,274 2.289,275 -2,276 -2,277 1.781,279 1.732,280 6.123,281 274,282 3.2,283 0.028,284 0.157,285 4.217,286 12.747,287 -0.366,288 19,290 49,291 30.714,292 3.459,293 199.954,294 9.843,296 9.113,297 1,298 4.28,299 12.912,300 0.334,301 0.226,302 3.504,303 7.224,304 2.546,305 2.862,306 3.665,307 3.53,308 38.7,309 2.696,310 5.155,311 0.279,312 -0.483,313 -0.483,314 1,315 11.658,316 3.432,317 3.423,318 -0.481,320 0.622,321 -1.269,322 31.269,323 4.078,324 1.093,325 1.611,326 0.575,327 42.944,328 3.014,329 12.646,330 12.646,331 12.646,332 12.646,333 12.646,334 5.285,335 0.471,336 1.268,337 2.937,338 3.974,339 4.159,340 4.389,341 -3.7,342 -3.7,343 -0.354,344 9.113,345 4.478,346 1.062,348 7.105,349 113.051,350 4.559,351 2.925,352 1,353 3.105,354 29.236,355 5.093}
{0 CHEMBL210034,1 1,2 1,3 7.474,4 4.474,5 4.474,6 4.474,7 2,8 1,9 2,10 2,11 2,12 2.481,13 3,14 8.93,15 8.93,16 2,17 4.95,18 1,19 1,21 3.758,22 1.987,23 1.987,24 -0.412,25 3.306,26 1,27 1.689,28 1.396,31 4.071,32 0.997,33 60.569,35 1.64,36 5.215,38 3,39 2,40 6.844,41 6.844,42 1.904,43 1.862,44 2.835,45 1.012,46 45.097,47 0.5,48 67.693,49 3.072,50 3.072,51 4.648,52 4.648,53 3.829,54 3.508,55 5.205,56 5.205,57 3.526,58 3.526,59 4.276,60 3.518,61 4.8,62 8.273,63 48.044,64 3.52,65 1,66 2,67 84.479,68 1.259,69 1.911,70 3.186,71 3.511,72 19.868,73 3,74 38.502,75 39.067,76 1.546,77 2.032,78 25.809,79 1.721,80 1.502,81 0.114,82 2.018,83 1.977,84 1.753,85 3.86,86 2.068,87 50.68,88 82.64,89 3.049,90 3.049,91 1.964,92 5.655,93 5.403,94 5.23,95 16.931,96 4.927,97 5.086,98 -0.018,99 1,100 4.145,101 18.422,102 2.023,103 4.025,104 16.786,105 3.502,106 3.502,107 3.373,108 1.901,109 1.219,110 9.123,111 5.35,112 4.363,113 1,114 10.92,115 684.752,116 39.847,117 23.6,118 2.748,119 2.748,120 1.879,121 5.531,122 5.419,123 0.853,124 7.636,125 1.415,126 3.045,127 113.1,128 79,129 3.724,130 1.483,131 34.796,132 0.32,133 425.99,134 416.38,135 4.323,136 2.919,137 3.497,138 4.479,139 3.64,140 24.02,141 27,142 5.566,143 1.238,144 16.451,145 4.003,146 492.72,147 3.436,148 7.182,149 4.362,150 5.35,151 1.195,152 1.028,153 6.44,154 4.364,155 3.697,156 1.511,157 3.714,158 5.282,159 1.517,160 1.924,161 17.674,162 3.524,163 0.87,164 0.099,165 4.625,166 1.415,167 1.415,169 5.599,170 1.371,171 1.14,172 10.585,173 2.016,174 50.353,175 3.851,176 22.316,177 5.57,178 12.821,179 14.06,180 4.512,181 1,182 286.736,183 691.395,184 4.433,185 4.559,186 2,187 6.928,188 359.156,189 27.841,190 8.487,191 4.376,192 13.637,193 24.621,194 1.071,195 14.831,196 2.043,197 1.501,198 17.194,199 2,200 2.221,201 0.024,202 1.573,203 3.951,204 13.216,205 5.138,206 2.416,207 4.058,208 3.717,209 1.897,210 1.42,211 3.582,212 4.778,213 4.778,214 10.991,215 3.858,216 425.99,217 1.434,218 1.434,219 19.267,220 0.197,221 3.215,222 2.302,223 2.805,224 366.274,226 4.138,227 0.963,228 4.588,229 10.585,230 4.267,231 3.991,232 59.687,233 4.477,234 34,235 0.301,236 9.747,237 9.747,238 4.391,239 5.603,240 2.96,241 2.96,242 1,243 7.428,244 30,245 5.149,246 7.545,247 7.545,248 459.5,249 74,251 3.954,252 23.728,253 1.587,254 28.805,255 1,256 22.277,257 22.277,258 22.277,259 22.277,260 22.277,261 8.048,262 4.286,263 0.681,264 7.59,265 2.09,266 8,267 1,268 7.398,269 18.939,270 10.301,271 10.301,272 47.417,273 57.531,274 3.214,275 3.703,276 3.703,277 2.608,278 2,279 5.942,280 15.024,281 1437,282 2.7,283 2.393,284 0.078,285 5.293,286 27.407,287 2.05,288 40,290 223,291 69.11,292 4.502,293 295.474,294 10.652,295 0.211,296 19.37,297 2.174,298 4.434,299 26.308,300 0.168,301 0.103,302 4.499,303 9.325,304 3.209,305 9.135,306 4.431,307 4.599,308 45.9,309 3.463,310 16.237,311 0.181,312 1.546,313 1.546,314 2.4,315 47.292,316 4.424,317 4.474,318 2.229,319 2,320 0.559,321 1.041,322 73.316,323 5.381,324 3.92,325 1.797,326 2.56,327 72.381,328 5.038,329 27.126,330 27.126,331 27.126,332 27.126,333 27.126,334 20.447,335 1.033,336 1.847,337 4.24,338 12.049,339 5.258,340 5.627,341 2.552,342 2.552,343 1.548,344 19.37,345 5.757,346 1.79,348 16.125,349 273.336,350 6.105,351 3.639,352 16,353 3.775,354 68.149,355 8.229}
{0 CHEMBL210089,1 1,2 1,3 7.474,4 4.474,5 4.474,6 4.474,7 1,8 1,9 1,10 4,11 2,12 2.037,13 4,14 8.026,15 8.026,16 2,17 4.868,18 1,19 1,21 3.234,22 0.86,23 0.86,24 -0.174,25 3.283,26 1,27 1.39,28 1.271,29 0.168,31 4.082,32 1.015,33 40.024,35 1.339,36 5.047,38 2,39 2,40 5.254,41 5.254,42 1.849,43 1.616,44 2.16,45 1.011,46 32.048,47 0.5,48 49.683,49 3.03,50 3.03,51 4.527,52 4.527,53 3.624,54 3.118,55 3.924,56 3.924,57 3.03,58 3.03,59 4.25,60 3.273,61 4.224,62 0.283,63 27.742,64 3.053,65 1,66 2,67 83.254,68 1.256,69 1.823,70 3.155,71 3.277,72 11.563,73 2,74 23.731,75 23.336,76 1.21,77 2.029,78 12.33,79 1.625,80 0.988,81 0.107,82 1.925,83 1.593,84 1.678,85 3.687,86 1.919,87 30.66,88 57.883,89 1.646,90 1.646,91 0.994,92 5.097,93 4.878,94 4.819,95 9.833,96 4.562,97 4.701,98 -0.103,99 1,100 3.582,101 9.634,102 2.021,103 4.057,104 33.571,105 3.282,106 3.282,107 3.054,108 1.848,109 0.707,110 6.38,111 4.751,112 2.994,113 2,114 8.578,115 501.62,116 25.315,117 12.381,118 1.554,119 1.554,120 1.579,121 4.926,122 4.999,123 0.528,124 6.823,125 1.137,126 2.861,127 83.952,128 56,129 3.478,130 1.208,131 16.786,132 0.379,133 290.423,134 286.423,135 0.593,136 2.784,137 1.72,138 3.957,139 3.397,140 13.789,141 15,142 4.223,143 1.027,144 10.341,145 4.025,146 361.08,147 3.101,148 5.496,149 3.847,150 4.802,151 0.972,152 0.693,153 6.357,154 4.05,155 3.448,156 1.186,157 3.483,158 4.706,159 1.498,160 1.79,161 10.457,162 3.445,163 1.002,164 0.128,165 4.169,166 0.704,167 0.704,169 4.966,170 0.652,171 0.646,172 8.271,173 1.668,174 37.188,175 3.748,176 13.354,177 5.03,178 12.916,179 14.21,180 4.175,181 1,182 217.99,183 523.654,184 3.915,185 4.012,186 1,187 0.366,188 134.786,189 15.085,190 7.884,191 3.856,192 10.037,193 18.394,194 0.928,195 8.147,196 2.041,197 1.2,198 12.657,199 3,200 1.457,201 0.014,202 1.286,203 3.776,204 9.791,205 5.302,206 2.141,207 4.014,208 3.472,209 1.767,210 1.234,211 3.167,212 3.692,213 3.692,214 8.093,215 3.738,216 290.423,217 1.153,218 1.153,219 15.148,220 0.232,221 2.951,222 4.501,223 2.32,224 253.139,226 4.136,227 0.766,228 4.068,229 8.513,230 3.764,231 3.691,232 34.542,233 4.205,234 21,235 0.294,236 8.922,237 8.922,238 4.065,239 0.469,240 2.83,241 2.83,243 5.105,244 25,245 4.555,246 6.533,247 6.533,248 296.423,249 52,251 3.668,252 18.241,253 1.329,254 21.978,255 1,256 17.301,257 17.301,258 17.301,259 17.301,260 17.301,261 7.738,262 3.608,263 0.871,264 7.611,265 2.111,266 3,267 1,268 7.109,269 14.526,270 9.675,271 9.675,272 35.369,273 43.845,274 2.913,275 2.744,276 2.744,277 2.188,278 2,279 3.946,280 11.867,281 917,282 1.9,283 1.648,284 0.088,285 4.929,286 21.813,287 1.442,288 31,290 143,291 52.892,292 4.055,293 239.592,294 10.389,295 0.169,296 15.17,297 1.612,298 8.474,299 19.86,300 0.187,301 0.129,302 4.142,303 8.588,304 2.961,305 5.382,306 4.185,307 4.223,308 40.4,309 3.262,310 9.245,311 0.203,312 1.297,313 1.297,314 1.618,315 28.929,316 4.093,317 3.959,318 1.988,319 2,320 0.597,321 0.479,322 52.011,323 4.77,324 2.744,325 1.733,326 2.372,327 77.447,328 4.398,329 21.378,330 21.378,331 21.378,332 21.378,333 21.378,334 10.381,335 0.729,336 1.623,337 3.901,338 7.39,339 4.907,340 5.508,341 1.241,342 1.241,343 1.281,344 15.459,345 5.585,346 1.501,348 13.161,349 189.914,350 5.857,351 3.416,352 9,353 3.506,354 52.568,355 7.921}
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{0 CHEMBL211065,1 1,2 1,3 7.474,4 4.474,5 4.474,6 4.474,7 2,8 1,9 2,10 2,11 2,12 2.543,13 3,14 8.972,15 8.972,16 2,17 5.26,18 1,19 1,21 4.145,22 1.987,23 1.987,24 -0.474,25 3.304,26 1,27 1.656,28 1.379,29 -0.086,31 4.074,32 0.964,33 60.569,35 1.613,36 5.352,38 3,39 2,40 6.959,41 6.959,42 1.89,43 1.808,44 2.869,45 0.981,46 45.076,47 0.5,48 67.693,49 3.072,50 3.072,51 4.651,52 4.651,53 3.836,54 3.51,55 5.455,56 5.455,57 3.528,58 3.528,59 4.316,60 3.521,61 4.961,62 8.273,63 49.436,64 3.681,65 1,66 2,67 84.479,68 1.258,69 1.885,70 3.222,71 3.515,72 20.362,73 3,74 43.212,75 48.478,76 1.585,77 2.028,78 25.982,79 1.669,80 1.547,81 0.11,82 1.962,83 2.201,84 1.709,85 3.866,86 2.228,87 53.267,88 86.265,89 3.703,90 3.703,91 1.998,92 5.694,93 5.449,94 5.255,95 17.103,96 4.981,97 5.147,98 -0.07,99 1,100 4.285,101 18.434,102 2.019,103 4.029,104 16.786,105 3.757,106 3.757,107 3.374,108 1.886,109 1.546,110 9.668,111 5.371,112 4.564,113 1,114 10.94,115 708.445,116 41.443,117 23.678,118 3.27,119 3.27,120 1.849,121 5.526,122 5.432,123 0.862,124 7.984,125 1.501,126 3.131,127 130.751,128 82,129 3.726,130 1.603,131 34.796,132 0.319,133 447.523,134 445.523,135 4.323,136 3.045,137 3.497,138 4.525,139 3.644,140 24.517,141 21,142 5.603,143 1.371,144 16.566,145 4.002,146 504.15,147 3.436,148 7.329,149 4.413,150 5.401,151 1.305,152 0.978,153 6.443,154 4.386,155 3.7,156 1.615,157 3.713,158 5.3,159 1.534,160 1.819,161 18.089,162 3.529,163 0.881,164 0.097,165 4.649,166 1.433,167 1.433,169 5.616,170 1.371,171 1.247,172 10.504,173 2.02,174 51.569,175 3.847,176 22.06,177 5.623,178 12.921,179 14.193,180 4.553,181 1,182 293.659,183 708.289,184 4.449,185 4.565,186 2,187 6.928,188 372.092,189 28.427,190 8.565,191 4.463,192 13.934,193 25.144,194 1.07,195 17.891,196 2.041,197 1.522,198 17.657,199 2,200 2.249,201 0.074,202 1.615,203 3.97,204 13.413,205 4.983,206 2.518,207 4.058,208 3.741,209 1.785,210 1.573,211 4,212 5.202,213 5.202,214 11.168,215 3.835,216 447.523,217 1.546,218 1.546,219 19.6,220 0.197,221 3.215,222 2.294,223 2.806,224 404.994,226 4.14,227 1.054,228 4.589,229 10.504,230 4.34,231 4.003,232 69.194,233 4.522,234 36,235 0.295,236 9.762,237 9.762,238 4.434,239 5.603,240 2.977,241 2.977,242 1,243 7.428,244 29,245 5.328,246 7.545,247 7.545,248 482.543,249 77,251 3.972,252 24.02,253 1.795,254 29.474,255 1,256 22.728,257 22.728,258 22.728,259 22.728,260 22.728,261 8.1,262 4.706,263 0.658,264 7.608,265 2.108,266 10,267 1,268 7.442,269 19.113,270 10.301,271 10.301,272 48.659,273 59.696,274 3.216,275 3.869,276 3.869,277 2.836,278 2,279 6.006,280 15.681,281 1477,282 3.9,283 2.393,284 0.077,285 5.328,286 27.647,287 2.144,288 41,290 232,291 71.496,292 4.53,293 286.117,294 10.729,295 0.304,296 19.675,297 2.185,298 4.433,299 27.468,300 0.164,301 0.101,302 4.518,303 9.396,304 3.21,305 9.61,306 4.45,307 4.605,308 46.8,309 3.468,310 17.101,311 0.181,312 1.552,313 1.552,314 2.405,315 50.997,316 4.435,317 4.484,318 2.319,319 2,320 0.564,321 1.14,322 76.527,323 5.596,324 3.862,325 1.803,326 2.812,327 81.889,328 5.061,329 27.366,330 27.366,331 27.366,332 27.366,333 27.366,334 25.431,335 1.085,336 1.798,337 4.292,338 12.738,339 5.278,340 5.786,341 2.748,342 2.748,343 1.795,344 19.675,345 5.812,346 1.788,348 16.244,349 299.8,350 6.114,351 3.645,352 15,353 3.787,354 70.429,355 8}
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{0 CHEMBL2177818,1 1,3 7.669,4 4.669,5 4.669,6 4.669,8 1,9 1,10 2,11 3,12 1.945,13 3,14 7.551,15 7.551,16 1,17 4.299,20 1,21 3.414,22 1.987,23 1.987,27 1.424,28 1.202,29 -0.146,31 3.921,32 1.042,33 20.545,35 1.383,36 4.997,38 1,39 1,40 5.536,41 5.536,42 1.921,43 1.621,44 2.5,45 1.01,46 24.095,48 50.908,49 2.782,50 2.782,51 4.739,52 4.739,53 3.811,54 3.251,55 3.245,56 3.245,57 3.133,58 3.133,59 4.061,60 3.296,61 4.011,62 8.273,63 22.939,64 3.247,67 103.164,68 1.063,69 1.909,70 3.389,71 3.314,72 8.94,73 1,74 21.067,75 26.065,76 1.048,77 1.999,78 11.704,79 1.772,80 1,81 0.089,82 1.965,83 1.519,84 1.806,85 3.853,86 1.977,87 24.109,88 58.106,89 2.275,90 2.275,91 1.5,92 5.014,93 4.804,94 4.776,95 9.955,96 4.534,97 4.679,98 0.055,99 1,100 3.569,101 9.233,102 1.996,103 3.858,104 50.357,105 3.473,106 3.473,107 3.038,108 1.917,109 1,110 5.67,111 4.791,112 2.949,113 2,114 8.618,115 497.342,116 22.471,117 13.41,118 2.136,119 2.136,120 1.581,121 5.018,122 4.967,123 0.397,124 7.066,125 1,126 2.855,127 46.727,128 56,129 3.709,130 1.159,131 18.011,132 0.425,133 276.423,134 265.668,135 4.312,136 2.845,137 3.497,138 4.131,139 3.475,140 10.996,141 6,142 4.121,143 0.932,144 8.408,145 3.835,146 362.59,147 3.151,148 5.365,149 4.023,150 4.812,151 0.844,152 0.73,153 6.134,154 4.014,155 3.513,156 1.153,157 3.7,158 4.803,159 1.491,160 1.842,161 8.782,162 3.403,163 0.636,164 0.13,165 4.123,166 1,167 1,169 4.981,170 1,171 0.975,172 8.707,173 1.532,174 36.818,175 3.784,176 10.698,177 5.011,178 12.835,179 14.123,180 4.188,182 217.39,183 522.193,184 4.104,185 4.17,186 1,187 6.927,188 136.757,189 11.75,190 7.857,191 3.956,192 10.064,193 18.355,194 0.964,195 9.861,196 2.006,197 1.36,198 12.751,199 2,200 1.553,201 -0.163,202 1.239,203 3.688,204 9.871,205 5.203,206 2,207 3.752,208 3.502,209 1.807,210 1.181,211 3.379,212 2.993,213 2.993,214 8.193,215 3.788,216 276.423,217 1.026,218 1.026,219 15.233,220 0.248,221 2.814,222 1.484,223 2.533,224 223.562,226 4.151,227 0.658,228 4.142,229 8.707,230 3.816,231 3.667,232 25.145,233 4.234,234 20,235 0.337,236 7.901,237 7.901,238 4.07,239 5.601,240 2.702,241 2.702,242 1,243 7.429,244 27,245 4.756,246 7.046,247 7.046,248 296.423,249 52,251 3.661,252 18.672,253 1.417,254 22.344,255 1,256 17.836,257 17.836,258 17.836,259 17.836,260 17.836,261 7.783,262 3.582,263 0.608,264 7.719,265 2.219,266 1,268 7.13,269 15.234,270 9.267,271 9.267,272 35.531,273 45.784,274 2.833,275 2.63,276 2.63,277 2.369,279 3.619,280 11.891,281 899,282 1.9,283 2,284 0.093,285 4.967,286 22.457,287 1.512,288 32,290 140,291 54.3,292 4.078,293 272.089,294 10.414,295 0.165,296 15.687,297 1.732,298 13.482,299 19.921,300 0.196,301 0.132,302 4.093,303 8.691,304 2.807,305 4.956,306 4.214,307 4.131,308 38.5,309 3.216,310 8.596,311 0.201,312 1.378,313 1.378,314 1.538,315 24.409,316 4.039,317 4.105,318 2.006,319 1,320 0.607,321 0.536,322 52.123,323 5.018,324 2.478,325 1.745,326 2.381,327 34.023,328 4.382,329 22.137,330 22.137,331 22.137,332 22.137,333 22.137,334 13.688,335 0.799,336 1.64,337 3.908,338 6.746,339 4.954,340 5.109,341 1.474,342 1.474,343 1.37,344 15.687,345 5.316,346 1.436,348 12.625,349 174.204,350 5.563,351 3.341,352 4,353 3.756,354 53.683,355 5}
{0 CHEMBL2177819,1 1,3 7.669,4 4.669,5 4.669,6 4.669,8 1,10 2,11 3,12 1.93,13 3,14 7.837,15 7.837,17 4.323,21 3.414,22 1.081,23 1.081,27 1.388,28 1.194,29 -0.03,31 3.929,32 1.042,33 20.116,35 1.33,36 4.997,37 1,39 1,40 5.488,41 5.488,42 1.921,43 1.613,44 2.5,45 1.012,46 24.151,48 50.908,49 2.798,50 2.798,51 4.739,52 4.739,53 3.81,54 3.253,55 3.248,56 3.248,57 3.133,58 3.133,59 4.146,60 3.245,61 4.012,62 1.807,63 22.828,64 3.247,67 103.164,68 1.074,69 1.908,70 3.39,71 3.263,72 8.668,73 1,74 21.075,75 26.218,76 1.193,77 2.001,78 12.027,79 1.768,80 1.011,81 0.089,82 1.965,83 1.466,84 1.803,85 3.853,86 1.604,87 24.501,88 58.106,89 2.275,90 2.275,91 1.5,92 5.02,93 4.816,94 4.77,95 9.811,96 4.536,97 4.683,98 0.067,99 1,100 3.504,101 9.369,102 1.997,103 3.869,104 50.357,105 3.635,106 3.635,107 3.041,108 1.916,109 1,110 5.717,111 4.787,112 2.949,113 2,114 8.618,115 497.342,116 22.073,117 13.018,118 2.136,119 2.136,120 1.564,121 5.019,122 4.959,123 0.395,124 7.066,125 1,126 2.855,127 46.298,128 56,129 3.709,130 1.169,131 18.011,132 0.42,133 276.423,134 266.913,135 1.438,136 2.602,137 2.162,138 4.123,139 3.439,140 11.344,141 5,142 3.996,143 0.935,144 8.647,145 3.85,146 362.59,147 3.151,148 5.365,149 4.022,150 4.804,151 0.846,152 0.709,153 6.136,154 4.016,155 3.498,156 1.171,157 3.7,158 4.806,159 1.501,160 1.842,161 8.783,162 3.355,163 0.69,164 0.13,165 4.113,166 1,167 1,169 4.979,170 1,171 0.976,172 8.7,173 1.528,174 36.818,175 3.783,176 11.231,177 5.013,178 12.859,179 14.151,180 4.188,181 1,182 217.39,183 522.193,184 4.104,185 4.174,186 1,187 1.679,188 136.937,189 10.941,190 7.901,191 3.946,192 10.061,193 18.349,194 0.964,195 9.863,196 2.012,197 1.144,198 12.756,199 2,200 1.539,201 -0.131,202 1.242,203 3.743,204 9.871,205 5.203,206 2,207 3.801,208 3.502,209 1.807,210 1.181,211 3.379,212 2.984,213 2.984,214 8.195,215 3.786,216 276.423,217 1.025,218 1.025,219 15.233,220 0.246,221 2.867,222 1.501,223 2.529,224 224.807,226 4.151,227 0.659,228 4.137,229 8.7,230 3.796,231 3.667,232 25.145,233 4.248,234 20,235 0.337,236 8.548,237 8.548,238 4.07,239 1.555,240 2.774,241 2.774,243 7.429,244 27,245 4.757,246 7.046,247 7.046,248 296.423,249 52,251 3.661,252 18.788,253 1.324,254 22.344,255 1,256 17.797,257 17.797,258 17.797,259 17.797,260 17.797,261 7.789,262 3.581,263 0.618,264 7.719,265 2.219,266 1,268 7.135,269 15.253,270 9.267,271 9.267,272 35.531,273 45.81,274 2.871,275 2.613,276 2.613,277 2.181,279 3.581,280 12.18,281 901,282 1.9,283 2,284 0.093,285 4.968,286 22.511,287 1.587,288 32,290 141,291 54.591,292 4.072,293 272.089,294 10.425,295 0.169,296 15.704,297 1.744,298 13.494,299 19.921,300 0.196,301 0.132,302 4.097,303 8.689,304 2.865,305 4.956,306 4.214,307 4.134,308 38.5,309 3.221,310 8.469,311 0.201,312 1.167,313 1.167,314 1.56,315 24.402,316 4.04,317 4.092,318 2.006,319 1,320 0.607,321 0.595,322 52.123,323 5.023,324 2.477,325 1.744,326 2.38,327 34.452,328 4.383,329 22.19,330 22.19,331 22.19,332 22.19,333 22.19,334 13.869,335 0.799,336 1.63,337 3.909,338 6.67,339 4.954,340 5.133,341 1.548,342 1.548,343 1.36,344 15.704,345 5.316,346 1.437,348 12.656,349 174.204,350 5.778,351 3.342,352 2,353 3.756,354 54.05,355 5}
{0 CHEMBL2177820,1 1,3 7.669,4 4.669,5 4.669,6 4.669,7 1,8 1,9 5,10 2,11 3,12 1.93,13 3,14 7.837,15 7.837,17 4.514,21 3.414,22 1.909,23 1.909,24 0.166,27 1.413,28 1.485,29 0.01,31 3.911,32 1.014,33 32.789,35 1.354,36 4.945,38 5,39 1,40 5.488,41 5.488,42 1.925,43 1.646,44 2.23,45 0.996,46 29.752,47 0.5,48 50.908,49 2.798,50 2.798,51 4.739,52 4.739,53 3.809,54 3.017,55 3.248,56 3.248,57 3.133,58 3.133,59 4.034,60 3.261,61 4.012,62 7.782,63 28.58,64 3.247,67 103.164,68 1.192,69 1.908,70 3.39,71 3.277,72 11.051,73 6,74 26.597,75 30.803,76 1.193,77 2.046,78 14.944,79 1.767,80 1.011,81 0.081,82 1.965,83 1.466,84 1.803,85 3.853,86 1.537,87 34.524,88 65.351,89 2.275,90 2.275,91 1.208,92 5.264,93 5.022,94 4.995,95 11.266,96 4.7,97 4.875,98 0.085,99 1,100 3.504,101 10.767,102 2.03,103 3.825,104 50.357,105 3.12,106 3.12,107 3.111,108 1.922,109 1,110 7.634,111 4.892,112 3.692,113 2,114 9.096,115 530.075,116 32.365,117 16.143,118 2.136,119 2.136,120 1.608,121 5.15,122 5.224,123 0.825,124 7.066,125 1,126 2.855,127 58.97,128 62,129 3.707,130 1.329,131 18.011,132 0.42,133 305.763,134 296.253,135 4.046,136 2.525,137 3.31,138 4.193,139 3.465,140 14.774,141 5,142 4.268,143 1.076,144 11.436,145 3.804,146 381.41,147 3.206,148 5.871,149 4.072,150 4.949,151 1.007,152 0.844,153 6.15,154 4.082,155 3.525,156 1.318,157 3.699,158 4.92,159 1.501,160 1.842,161 10.249,162 3.36,163 0.64,164 0.13,165 4.217,166 1,167 1,169 5.102,170 1,171 0.976,172 8.7,173 1.5,174 39.103,175 3.751,176 16.512,177 5.186,178 12.77,179 14.093,180 4.292,181 1,182 226.173,183 543.621,184 4.143,185 4.227,186 1,187 6.511,188 136.937,189 15.82,190 7.901,191 4.037,192 11.005,193 19.405,194 0.964,195 11.177,196 2.046,197 1.144,198 13.733,199 2,200 1.82,201 -0.086,202 1.452,203 3.743,204 10.815,205 4.378,206 2,207 3.801,208 3.502,209 1.807,210 1.311,211 3.379,212 2.984,213 2.984,214 8.959,215 3.761,216 305.763,217 1.025,218 1.025,219 15.233,220 0.246,221 2.917,222 1.54,223 2.248,224 261.789,226 4.151,227 0.831,228 4.201,229 8.7,230 3.865,231 3.724,232 25.145,233 4.248,234 26,235 0.337,236 8.548,237 8.548,238 4.162,239 5.259,240 2.774,241 2.774,243 7.428,244 27,245 4.89,246 7.046,247 7.046,248 339.763,249 58,251 3.701,252 19.5,253 1.382,254 22.982,255 1,256 17.797,257 17.797,258 17.797,259 17.797,260 17.797,261 7.789,262 3.581,263 0.55,264 7.63,265 2.13,266 7,268 7.135,269 15.253,270 9.267,271 9.267,272 37.111,273 45.81,274 2.876,275 2.613,276 2.613,277 2.21,279 4.405,280 12.18,281 901,282 1.7,283 2,284 0.093,285 4.968,286 22.511,287 1.587,288 32,290 141,291 54.413,292 4.143,293 234.195,294 10.357,295 0.169,296 15.704,297 1.744,298 13.544,299 20.657,300 0.196,301 0.132,302 4.179,303 8.689,304 2.941,305 6.773,306 4.214,307 4.256,308 44.8,309 3.231,310 12.237,311 0.201,312 1.167,313 1.167,314 1.56,315 31.675,316 4.135,317 4.136,318 1.938,319 1,320 0.575,321 0.595,322 57.774,323 5.168,324 3.156,325 1.744,326 2.38,327 31.266,328 4.383,329 22.19,330 22.19,331 22.19,332 22.19,333 22.19,334 16.504,335 0.905,336 1.661,337 3.925,338 8.76,339 4.954,340 5.108,341 1.548,342 1.548,343 1.36,344 15.704,345 5.272,346 1.472,348 12.656,349 211.318,350 5.778,351 3.364,352 2,353 3.735,354 54.05,355 6.602}
{0 CHEMBL2177821,1 1,3 7.669,4 4.669,5 4.669,6 4.669,8 1,9 1,10 2,11 3,12 2.048,13 3,14 7.408,15 7.408,17 4.42,21 3.414,22 1.988,23 1.988,27 1.461,28 1.2,29 -0.1,31 3.929,32 1.078,33 22.651,35 1.412,36 4.997,38 1,39 1,40 5.531,41 5.531,42 1.926,43 1.681,44 2.5,45 1.058,46 27.34,48 50.908,49 2.779,50 2.779,51 4.739,52 4.739,53 3.812,54 3.277,55 3.249,56 3.249,57 3.133,58 3.133,59 4.028,60 3.325,61 4.013,62 8.282,63 24.475,64 3.247,67 103.164,68 1.156,69 1.909,70 3.39,71 3.347,72 9.817,73 2,74 22.758,75 27.525,76 1.197,77 2.017,78 12.471,79 1.77,80 1.013,81 0.102,82 1.965,83 1.558,84 1.805,85 3.856,86 1.999,87 27.139,88 61.521,89 2.275,90 2.275,91 1.5,92 5.098,93 4.881,94 4.835,95 10.624,96 4.595,97 4.748,98 0.027,99 1,100 3.579,101 9.702,102 2.006,103 3.858,104 50.357,105 3.476,106 3.476,107 3.096,108 1.924,109 1,110 6.109,111 4.834,112 3.136,113 2,114 9.232,115 523.419,116 24.617,117 14.385,118 2.136,119 2.136,120 1.641,121 5.1,122 5.029,123 0.644,124 7.066,125 1,126 2.858,127 48.832,128 59,129 3.709,130 1.289,131 18.011,132 0.396,133 295.975,134 285.22,135 4.318,136 2.855,137 3.499,138 4.153,139 3.529,140 12.887,141 7,142 4.475,143 0.947,144 9.322,145 3.854,146 379.89,147 3.171,148 5.838,149 4.044,150 4.88,151 0.869,152 0.757,153 6.144,154 4.054,155 3.577,156 1.282,157 3.7,158 4.875,159 1.49,160 1.842,161 9.666,162 3.451,163 0.682,164 0.126,165 4.172,166 1,167 1,169 5.022,170 1,171 0.983,172 8.866,173 1.536,174 38.58,175 3.789,176 12.265,177 5.1,178 12.833,179 14.121,180 4.239,181 1,182 226.983,183 545.598,184 4.133,185 4.2,186 1,187 6.934,188 144.336,189 13.133,190 7.874,191 3.992,192 10.518,193 19.014,194 0.964,195 10.285,196 2.035,197 1.36,198 13.208,199 2,200 1.627,201 -0.184,202 1.307,203 3.651,204 10.307,205 5.178,206 2,207 3.746,208 3.532,209 1.807,210 1.218,211 3.394,212 3.026,213 3.026,214 8.554,215 3.79,216 295.975,217 1.034,218 1.034,219 15.733,220 0.237,221 2.94,222 1.507,223 2.587,224 243.114,226 4.151,227 0.69,228 4.18,229 8.866,230 3.844,231 3.711,232 25.145,233 4.248,234 22,235 0.328,236 7.843,237 7.843,238 4.118,239 5.607,240 2.655,241 2.655,243 7.429,244 27,245 4.796,246 7.046,247 7.046,248 317.975,249 55,251 3.699,252 19.38,253 1.418,254 23.161,255 1,256 18.319,257 18.319,258 18.319,259 18.319,260 18.319,261 7.794,262 3.588,263 0.623,264 7.697,265 2.197,266 2,268 7.146,269 15.731,270 9.267,271 9.267,272 37.058,273 48.02,274 2.878,275 2.636,276 2.636,277 2.421,279 3.752,280 12.223,281 988,282 1.8,283 2,284 0.09,285 5.012,286 23.163,287 1.659,288 33,290 154,291 55.67,292 4.113,293 274.623,294 10.418,295 0.164,296 16.187,297 1.752,298 13.512,299 20.866,300 0.19,301 0.128,302 4.135,303 8.77,304 2.946,305 5.545,306 4.244,307 4.185,308 40,309 3.248,310 9.559,311 0.198,312 1.407,313 1.407,314 1.563,315 27.612,316 4.086,317 4.132,318 2.006,319 1,320 0.598,321 0.668,322 55.007,323 5.064,324 2.602,325 1.751,326 2.392,327 34.452,328 4.505,329 22.844,330 22.844,331 22.844,332 22.844,333 22.844,334 14.623,335 0.84,336 1.699,337 3.917,338 7.327,339 4.999,340 5.186,341 1.689,342 1.689,343 1.381,344 16.187,345 5.381,346 1.488,348 13.485,349 189.756,350 5.494,351 3.377,352 6,353 3.759,354 55.092,355 6.18}
{0 CHEMBL2177822,1 1,3 7.669,4 4.669,5 4.669,6 4.669,8 1,10 2,11 3,12 1.564,13 3,14 6.88,15 6.88,17 4.542,21 2.967,22 1.909,23 1.909,27 1.291,28 1.193,29 -0.192,31 3.871,32 1.149,33 20.116,35 1.235,36 4.902,39 1,40 5.051,41 5.051,42 1.752,43 1.497,44 1.79,45 1.139,46 22.409,48 50.908,49 2.779,50 2.779,51 4.739,52 4.739,53 3.584,54 3.004,55 2.983,56 2.983,57 3.133,58 3.133,59 4.024,60 3.171,61 3.62,62 7.782,63 19.119,64 2.312,67 103.164,68 0.994,69 1.737,70 3.39,71 3.183,72 7.282,73 1,74 17.953,75 22.637,76 1,77 1.965,78 10.264,79 1.451,80 0.603,81 0.083,82 1.932,83 1.418,84 1.507,85 3.634,86 1.5,87 20.853,88 50.69,89 1.124,90 1.124,91 0.601,92 4.858,93 4.648,94 4.606,95 8.374,96 4.399,97 4.564,98 0.097,99 1,100 3.39,101 7.862,102 1.976,103 3.808,104 50.357,105 3.039,106 3.039,107 3.032,108 1.762,109 0.347,110 4.977,111 4.629,112 2.525,113 2,114 7.177,115 432.059,116 19.444,117 11.596,118 -0.307,119 -0.307,120 1.485,121 4.908,122 4.798,123 0.381,124 7.066,125 0.656,126 2.525,127 55.123,128 48,129 3.378,130 1.107,131 18.011,132 0.589,133 230.379,134 226.379,135 4.046,136 2.5,137 3.31,138 3.917,139 3.327,140 10.65,141 2,142 3.396,143 0.915,144 6.729,145 3.793,146 307.27,147 3.146,148 4.57,149 3.807,150 4.672,151 0.837,152 0.635,153 6.088,154 3.825,155 3.384,156 1.104,157 3.354,158 4.678,159 1.504,160 1.807,161 7.676,162 3.249,163 0.683,164 0.156,165 3.965,166 0.463,167 0.463,169 4.812,170 0.436,171 -0.125,172 7.315,173 0.882,174 31.057,175 3.71,176 8.879,177 4.894,178 12.752,179 14.079,180 4.052,181 1,182 185.604,183 444.635,184 3.952,185 4.017,186 1,187 6.511,188 107.773,189 9.852,190 7.698,191 3.647,192 8.4,193 15.201,194 0.772,195 7.577,196 1.932,197 0.983,198 10.724,199 2,200 1.32,201 -0.212,202 1.219,203 3.598,204 8.196,205 4.363,206 1.646,207 3.745,208 3.341,209 1.771,210 1.181,211 2.674,212 2.636,213 2.636,214 6.819,215 3.701,216 230.379,217 0.688,218 0.688,219 12.733,220 0.317,221 2.791,222 1.517,223 2.24,224 204.379,226 4.15,227 0.665,228 4.003,229 7.315,230 3.491,231 3.478,232 25.145,233 4.06,234 18,235 0.405,236 7.841,237 7.841,238 3.925,239 5.259,240 2.613,241 2.613,243 7.43,244 21,245 4.556,246 7.046,247 7.046,248 247.133,249 45,251 3.477,252 15.648,253 1.013,254 18.741,255 1,256 14.836,257 14.836,258 14.836,259 14.836,260 14.836,261 7.62,262 3.414,263 0.564,264 7.772,265 2.272,266 2,268 6.957,269 12.663,270 9.267,271 9.267,272 30.004,273 40.03,274 2.692,275 1.635,276 1.635,277 1.928,279 2.934,280 9.847,281 599,282 2.2,283 1.408,284 0.111,285 4.717,286 18.724,287 0.588,288 27,290 92,291 45.594,292 3.918,293 230.347,294 10.269,295 0.147,296 13.131,297 1.437,298 13.402,299 17.194,300 0.235,301 0.158,302 3.91,303 8.22,304 2.779,305 4.395,306 4.039,307 3.939,308 40,309 2.939,310 7.615,311 0.222,312 1,313 1,314 1.466,315 21.981,316 3.842,317 3.955,318 1.536,319 1,320 0.61,321 -0.362,322 45.24,323 4.844,324 2.082,325 1.705,326 2,327 31.266,328 3.837,329 18.413,330 18.413,331 18.413,332 18.413,333 18.413,334 11.159,335 0.725,336 1.509,337 3.695,338 5.74,339 4.694,340 5.031,341 -0.881,342 -0.881,343 1,344 13.131,345 5.12,346 1.321,347 1,348 10.222,349 166.795,350 5.347,351 3.172,353 3.492,354 45.089,355 6.092}
{0 CHEMBL2177823,1 1,3 7.67,4 4.67,5 4.67,6 4.67,8 1,10 2,11 3,12 1.695,13 3,14 8.03,15 8.03,17 4.338,20 1,21 3.469,22 1.081,23 1.081,27 1.374,28 1.197,29 -0.03,31 3.928,32 1.04,33 20.116,35 1.315,36 4.997,37 1,39 1,40 5.428,41 5.428,42 1.92,43 1.605,44 2.5,45 1.044,46 26.479,48 50.908,49 2.803,50 2.803,51 4.741,52 4.741,53 3.81,54 3.238,55 3.248,56 3.248,57 3.136,58 3.136,59 4.147,60 3.231,61 4.008,62 1.807,63 23.733,64 3.247,67 103.164,68 1.074,69 1.907,70 3.393,71 3.25,72 8.676,73 1,74 21.37,75 26.689,76 1.267,77 2,78 12.652,79 1.767,80 1.048,81 0.089,82 1.965,83 1.466,84 1.802,85 3.853,86 1.759,87 24.527,88 58.106,89 2.511,90 2.511,91 1.5,92 5.02,93 4.817,94 4.77,95 10.299,96 4.536,97 4.683,98 0.056,99 1,100 3.533,101 9.823,102 1.996,103 3.869,104 50.357,105 3.653,106 3.653,107 3.04,108 1.915,109 1,110 5.717,111 4.836,112 2.949,113 2,114 8.618,115 497.342,116 22.073,117 13.705,118 2.136,119 2.136,120 1.563,121 5.109,122 4.959,123 0.437,124 7.066,125 1.109,126 2.855,127 46.298,128 56,129 3.709,130 1.19,131 18.011,132 0.459,133 284.423,134 271.668,135 1.438,136 2.679,137 2.162,138 4.201,139 3.432,140 10.927,141 5,142 3.996,143 0.974,144 8.647,145 3.85,146 362.59,147 3.151,148 5.365,149 4.109,150 4.81,151 0.913,152 0.702,153 6.155,154 4.016,155 3.492,156 1.186,157 3.7,158 4.892,159 1.501,160 1.842,161 8.574,162 3.347,163 0.69,164 0.13,165 4.116,166 1,167 1,169 5.024,170 1,171 0.952,172 8.726,173 1.58,174 36.818,175 3.782,176 11.231,177 5.013,178 12.863,179 14.156,180 4.188,181 1,182 217.39,183 522.193,184 4.163,185 4.227,186 1,187 1.679,188 127.244,189 10.977,190 7.903,191 4.056,192 10.061,193 18.349,194 0.963,195 10.563,196 2.012,197 1.2,198 12.762,199 2,200 1.539,201 -0.091,202 1.252,203 3.746,204 9.871,205 5.272,206 2.114,207 3.803,208 3.503,209 1.807,210 1.199,211 3.339,212 2.984,213 2.984,214 8.196,215 3.785,216 284.423,217 1.119,218 1.119,219 15.233,220 0.258,221 2.885,222 1.477,223 2.521,224 225.562,226 4.152,227 0.668,228 4.16,229 8.726,230 3.929,231 3.667,232 25.145,233 4.248,234 20,235 0.338,236 8.55,237 8.55,238 4.07,239 1.555,240 2.774,241 2.774,242 2,243 7.429,244 27,245 4.826,246 7.047,247 7.047,248 296.423,249 52,251 3.661,252 18.788,253 1.324,254 22.344,255 1,256 17.814,257 17.814,258 17.814,259 17.814,260 17.814,261 7.792,262 3.583,263 0.617,264 7.719,265 2.219,266 1,268 7.135,269 15.253,270 9.276,271 9.276,272 35.531,273 45.59,274 2.879,275 2.617,276 2.617,277 2.181,279 3.624,280 12.112,281 841,282 1.9,283 2,284 0.093,285 4.97,286 22.511,287 1.456,288 32,290 131,291 54.596,292 4.078,293 272.089,294 10.426,295 0.185,296 15.704,297 1.726,298 13.533,299 19.921,300 0.196,301 0.132,302 4.097,303 8.712,304 2.887,305 4.956,306 4.215,307 4.134,308 38.5,309 3.228,310 8.469,311 0.201,312 1.223,313 1.223,314 1.571,315 24.045,316 4.04,317 4.121,318 2.006,319 1,320 0.607,321 0.48,322 52.123,323 5.068,324 2.489,325 1.748,326 2.38,327 34.452,328 4.324,329 22.19,330 22.19,331 22.19,332 22.19,333 22.19,334 14.463,335 0.799,336 1.622,337 4.028,338 6.67,339 4.954,340 5.224,341 1.337,342 1.337,343 1.36,344 15.704,345 5.47,346 1.457,348 11.844,349 174.204,350 5.813,351 3.356,352 4,353 3.755,354 54.059,355 4.886}
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{0 CHEMBL2177827,1 1,3 7.692,4 4.692,5 4.692,6 4.692,8 1,9 1,10 2,11 3,12 2.259,13 3,14 7.882,15 7.882,16 3,17 4.487,20 2,21 3.986,22 1.987,23 1.987,27 1.741,28 1.206,29 -0.214,31 3.932,32 0.953,33 38.556,35 1.708,36 5.301,38 1,39 2,40 7.08,41 7.08,42 1.95,43 1.863,44 2.854,45 0.937,46 33.876,48 68.919,49 2.912,50 2.912,51 4.753,52 4.753,53 3.85,54 3.646,55 5.052,56 5.052,57 3.147,58 3.147,59 4.143,60 3.674,61 4.703,62 8.746,63 34.238,64 3.57,67 121.174,68 1.143,69 1.928,70 3.533,71 3.684,72 12.563,73 1,74 32.187,75 36.2,76 1.519,77 2.033,78 17.246,79 1.797,80 1.482,81 0.095,82 1.995,83 2.268,84 1.831,85 3.886,86 2.209,87 32.929,88 77.059,89 3.108,90 3.108,91 1.999,92 5.318,93 5.111,94 5.071,95 13.891,96 4.817,97 4.962,98 0.023,99 1,100 4.202,101 13.387,102 2.032,103 3.878,104 50.357,105 3.644,106 3.644,107 3.462,108 1.95,109 1.456,110 7.584,111 5.159,112 3.939,113 2,114 11.755,115 662.211,116 30.543,117 18.472,118 2.992,119 2.992,120 1.838,121 5.361,122 5.255,123 0.732,124 7.066,125 1.381,126 3.201,127 67.272,128 74,129 3.776,130 1.402,131 36.022,132 0.369,133 393.978,134 376.369,135 4.869,136 2.985,137 3.497,138 4.525,139 3.786,140 15.893,141 11,142 5.987,143 1.204,144 11.329,145 3.862,146 486.96,147 3.498,148 7.567,149 4.442,150 5.14,151 1.153,152 0.924,153 6.277,154 4.288,155 3.827,156 1.435,157 3.776,158 5.159,159 1.497,160 1.884,161 12.603,162 3.732,163 0.566,164 0.1,165 4.447,166 1.397,167 1.397,169 5.356,170 1.372,171 1.37,172 11.288,173 2.03,174 48.563,175 3.828,176 14.162,177 5.332,178 13.024,179 14.293,180 4.46,182 285.817,183 689.153,184 4.465,185 4.523,186 1,187 7.429,188 182.898,189 16.635,190 8.157,191 4.47,192 13.231,193 24.053,194 0.989,195 14.259,196 2.034,197 1.435,198 16.864,199 1,200 2.056,201 -0.058,202 1.58,203 3.739,204 12.92,205 5.319,206 2.392,207 3.892,208 3.765,209 1.852,210 1.326,211 3.603,212 4.729,213 4.729,214 10.736,215 3.827,216 396.733,217 1.414,218 1.414,219 19.967,220 0.213,221 3.293,222 1.312,223 2.993,224 309.637,226 4.169,227 0.766,228 4.486,229 11.288,230 4.374,231 3.939,232 50.29,233 4.489,234 27,235 0.259,236 8.992,237 8.992,238 4.343,239 6.132,240 2.762,241 2.762,242 2,243 7.431,244 33,245 5.162,246 7.052,247 7.052,248 421.488,249 69,251 3.93,252 24.365,253 1.537,254 29.281,255 1,256 23.291,257 23.291,258 23.291,259 23.291,260 23.291,261 8.052,262 4.499,263 0.544,264 7.766,265 2.266,266 2,268 7.404,269 19.848,270 9.508,271 9.508,272 46.847,273 61.404,274 3.204,275 3.748,276 3.748,277 2.661,279 4.784,280 15.307,281 1396,282 2.9,283 2.383,284 0.071,285 5.354,286 29.001,287 2.112,288 42,290 206,291 71.261,292 4.399,293 341.186,294 10.686,295 0.379,296 20.441,297 2.235,298 14.152,299 27.036,300 0.15,301 0.101,302 4.39,303 9.499,304 3.274,305 6.774,306 4.479,307 4.428,308 39.1,309 3.441,310 11.953,311 0.177,312 1.505,313 1.505,314 2.416,315 33.633,316 4.314,317 4.446,318 2.451,319 1,320 0.606,321 1.109,322 69.203,323 5.388,324 3.286,325 1.816,326 2.75,327 33.674,328 5.099,329 28.67,330 28.67,331 28.67,332 28.67,333 28.67,334 19.216,335 1.036,336 1.87,337 4.379,338 9.299,339 5.336,340 5.455,341 2.754,342 2.754,343 1.704,344 20.441,345 5.71,346 1.683,348 15.143,349 239.823,350 5.767,351 3.569,352 15,353 3.789,354 70.337,355 7.328}
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