@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL4477

@attribute molecule_id {CHEMBL1075626,CHEMBL1076333,CHEMBL1079374,CHEMBL1204390,CHEMBL140197,CHEMBL143210,CHEMBL143267,CHEMBL1730632,CHEMBL174216,CHEMBL174218,CHEMBL174382,CHEMBL174588,CHEMBL175377,CHEMBL175446,CHEMBL175463,CHEMBL175610,CHEMBL175643,CHEMBL175699,CHEMBL175700,CHEMBL175997,CHEMBL176068,CHEMBL176174,CHEMBL176279,CHEMBL177043,CHEMBL177347,CHEMBL177514,CHEMBL177519,CHEMBL177585,CHEMBL177586,CHEMBL177691,CHEMBL177736,CHEMBL177866,CHEMBL178022,CHEMBL1783858,CHEMBL1783859,CHEMBL1783860,CHEMBL1783861,CHEMBL1783862,CHEMBL1783863,CHEMBL1783864,CHEMBL1783865,CHEMBL1783866,CHEMBL1783867,CHEMBL1783868,CHEMBL1783869,CHEMBL1783870,CHEMBL1783871,CHEMBL1783872,CHEMBL1783873,CHEMBL1783874,CHEMBL1783875,CHEMBL1783876,CHEMBL1784048,CHEMBL1784049,CHEMBL1784050,CHEMBL1784051,CHEMBL1784052,CHEMBL1784053,CHEMBL1784054,CHEMBL1784055,CHEMBL1784056,CHEMBL1784057,CHEMBL1784058,CHEMBL1784059,CHEMBL1784060,CHEMBL1784061,CHEMBL1784062,CHEMBL1784063,CHEMBL1784064,CHEMBL1784065,CHEMBL1784066,CHEMBL1784067,CHEMBL1784068,CHEMBL1784069,CHEMBL1784070,CHEMBL1784071,CHEMBL1784072,CHEMBL1784073,CHEMBL1784074,CHEMBL1784075,CHEMBL1784076,CHEMBL1784077,CHEMBL1784078,CHEMBL178592,CHEMBL178690,CHEMBL178741,CHEMBL178742,CHEMBL180011,CHEMBL180021,CHEMBL186453,CHEMBL188906,CHEMBL194787,CHEMBL1951658,CHEMBL1951659,CHEMBL1951660,CHEMBL1951661,CHEMBL1951662,CHEMBL1951663,CHEMBL1951664,CHEMBL1951665,CHEMBL1951666,CHEMBL1951667,CHEMBL1951668,CHEMBL1951669,CHEMBL1951670,CHEMBL1951671,CHEMBL1951672,CHEMBL1951673,CHEMBL1951674,CHEMBL1951675,CHEMBL1951676,CHEMBL1951677,CHEMBL1951678,CHEMBL1951679,CHEMBL1951680,CHEMBL1951681,CHEMBL1951682,CHEMBL1951683,CHEMBL1951684,CHEMBL1951685,CHEMBL1951686,CHEMBL1951687,CHEMBL1951688,CHEMBL1951689,CHEMBL1951690,CHEMBL1951872,CHEMBL1951873,CHEMBL1951874,CHEMBL1951875,CHEMBL1951876,CHEMBL1951877,CHEMBL1951878,CHEMBL1951879,CHEMBL1951880,CHEMBL1951881,CHEMBL1951882,CHEMBL1951883,CHEMBL1951884,CHEMBL1951885,CHEMBL1951886,CHEMBL1951887,CHEMBL1951888,CHEMBL1951889,CHEMBL1951890,CHEMBL197110,CHEMBL198310,CHEMBL2011870,CHEMBL2063722,CHEMBL2063723,CHEMBL2063724,CHEMBL2112047,CHEMBL2112048,CHEMBL2112963,CHEMBL2112964,CHEMBL2112965,CHEMBL2112966,CHEMBL2112967,CHEMBL213760,CHEMBL215240,CHEMBL2179629,CHEMBL2179631,CHEMBL2179646,CHEMBL2181519,CHEMBL2181520,CHEMBL2181521,CHEMBL2205377,CHEMBL2205915,CHEMBL223399,CHEMBL223496,CHEMBL223543,CHEMBL223819,CHEMBL223868,CHEMBL224084,CHEMBL224088,CHEMBL224135,CHEMBL224315,CHEMBL224322,CHEMBL224356,CHEMBL224375,CHEMBL224615,CHEMBL224617,CHEMBL224672,CHEMBL224673,CHEMBL224898,CHEMBL225032,CHEMBL225124,CHEMBL225125,CHEMBL225126,CHEMBL225201,CHEMBL225438,CHEMBL225439,CHEMBL225589,CHEMBL225590,CHEMBL231842,CHEMBL231843,CHEMBL232012,CHEMBL232013,CHEMBL232052,CHEMBL233851,CHEMBL2338567,CHEMBL2338579,CHEMBL2338582,CHEMBL2338587,CHEMBL2338590,CHEMBL234061,CHEMBL234062,CHEMBL234063,CHEMBL234959,CHEMBL234960,CHEMBL235767,CHEMBL235975,CHEMBL235977,CHEMBL236177,CHEMBL236178,CHEMBL236180,CHEMBL236994,CHEMBL238077,CHEMBL238079,CHEMBL238090,CHEMBL238262,CHEMBL238263,CHEMBL241327,CHEMBL241699,CHEMBL243020,CHEMBL243043,CHEMBL245176,CHEMBL245187,CHEMBL245188,CHEMBL245819,CHEMBL245820,CHEMBL246023,CHEMBL246024,CHEMBL246025,CHEMBL246026,CHEMBL246244,CHEMBL246245,CHEMBL246249,CHEMBL246250,CHEMBL246251,CHEMBL246252,CHEMBL246449,CHEMBL246455,CHEMBL246456,CHEMBL246890,CHEMBL247092,CHEMBL247475,CHEMBL247476,CHEMBL247485,CHEMBL247487,CHEMBL247862,CHEMBL252332,CHEMBL252333,CHEMBL252334,CHEMBL252531,CHEMBL252543,CHEMBL252735,CHEMBL252736,CHEMBL252940,CHEMBL252941,CHEMBL252942,CHEMBL252943,CHEMBL253142,CHEMBL253143,CHEMBL253145,CHEMBL253146,CHEMBL253345,CHEMBL253347,CHEMBL253348,CHEMBL253349,CHEMBL253568,CHEMBL254221,CHEMBL254428,CHEMBL254429,CHEMBL260122,CHEMBL260328,CHEMBL265023,CHEMBL278949,CHEMBL279956,CHEMBL280563,CHEMBL284193,CHEMBL284895,CHEMBL293665,CHEMBL294550,CHEMBL302153,CHEMBL302781,CHEMBL30285,CHEMBL303018,CHEMBL304824,CHEMBL304866,CHEMBL308641,CHEMBL314690,CHEMBL322887,CHEMBL334160,CHEMBL33567,CHEMBL343994,CHEMBL34453,CHEMBL353547,CHEMBL360728,CHEMBL366448,CHEMBL367027,CHEMBL367189,CHEMBL367227,CHEMBL368317,CHEMBL369459,CHEMBL374167,CHEMBL374815,CHEMBL375439,CHEMBL376372,CHEMBL385336,CHEMBL385776,CHEMBL386408,CHEMBL386565,CHEMBL386935,CHEMBL387687,CHEMBL387976,CHEMBL388087,CHEMBL388668,CHEMBL388669,CHEMBL388827,CHEMBL389655,CHEMBL389870,CHEMBL389897,CHEMBL390391,CHEMBL391879,CHEMBL392164,CHEMBL39221,CHEMBL393029,CHEMBL393237,CHEMBL393507,CHEMBL393681,CHEMBL393705,CHEMBL39372,CHEMBL393922,CHEMBL393923,CHEMBL394810,CHEMBL394914,CHEMBL395256,CHEMBL396712,CHEMBL396956,CHEMBL397048,CHEMBL397215,CHEMBL397639,CHEMBL397640,CHEMBL398706,CHEMBL398724,CHEMBL399160,CHEMBL399161,CHEMBL399640,CHEMBL400104,CHEMBL400105,CHEMBL400505,CHEMBL40086,CHEMBL401096,CHEMBL401270,CHEMBL401330,CHEMBL401331,CHEMBL408899,CHEMBL421402,CHEMBL426018,CHEMBL426190,CHEMBL427870,CHEMBL428040,CHEMBL428909,CHEMBL429122,CHEMBL429635,CHEMBL432038,CHEMBL43412,CHEMBL437169,CHEMBL441844,CHEMBL443489,CHEMBL444629,CHEMBL447113,CHEMBL449616,CHEMBL455415,CHEMBL462007,CHEMBL469381,CHEMBL469382,CHEMBL469383,CHEMBL469386,CHEMBL469588,CHEMBL470205,CHEMBL470396,CHEMBL471242,CHEMBL471434,CHEMBL471435,CHEMBL471666,CHEMBL471866,CHEMBL471875,CHEMBL472489,CHEMBL472490,CHEMBL477396,CHEMBL479804,CHEMBL479805,CHEMBL482080,CHEMBL492378,CHEMBL492570,CHEMBL492979,CHEMBL494766,CHEMBL494960,CHEMBL494961,CHEMBL494966,CHEMBL494967,CHEMBL495150,CHEMBL496897,CHEMBL497918,CHEMBL497919,CHEMBL500042,CHEMBL509066,CHEMBL510310,CHEMBL511266,CHEMBL511838,CHEMBL512178,CHEMBL512523,CHEMBL513012,CHEMBL513018,CHEMBL513032,CHEMBL513761,CHEMBL521982,CHEMBL522161,CHEMBL522875,CHEMBL525546,CHEMBL537963,CHEMBL538307,CHEMBL538445,CHEMBL549371,CHEMBL549507,CHEMBL550398,CHEMBL550523,CHEMBL550599,CHEMBL550803,CHEMBL551469,CHEMBL554700,CHEMBL555029,CHEMBL556070,CHEMBL556293,CHEMBL556430,CHEMBL556667,CHEMBL556707,CHEMBL557044,CHEMBL557722,CHEMBL557769,CHEMBL558321,CHEMBL558521,CHEMBL558629,CHEMBL559243,CHEMBL559310,CHEMBL560273,CHEMBL561189,CHEMBL561391,CHEMBL561590,CHEMBL561997,CHEMBL562193,CHEMBL562551,CHEMBL563092,CHEMBL564000,CHEMBL564089,CHEMBL564104,CHEMBL564327,CHEMBL564597,CHEMBL565004,CHEMBL566581,CHEMBL572128,CHEMBL575060,CHEMBL579062,CHEMBL61505,CHEMBL63161,CHEMBL63393,CHEMBL63539,CHEMBL66728,CHEMBL66794,CHEMBL67071,CHEMBL67075,CHEMBL67143,CHEMBL67197,CHEMBL67472,CHEMBL67737,CHEMBL67769,CHEMBL67833,CHEMBL68250,CHEMBL68305,CHEMBL68471,CHEMBL76232,CHEMBL94990}
@attribute ATSC2i numeric
@attribute SpMax6_Bh.i. numeric
@attribute ATSC1i numeric
@attribute MAXDP numeric
@attribute H.049 numeric
@attribute Infective.80 numeric
@attribute CATS2D_01_AN numeric
@attribute CATS2D_01_DN numeric
@attribute ATSC3i numeric
@attribute SpMax6_Bh.e. numeric
@attribute SaaN numeric
@attribute O.057 numeric
@attribute N.075 numeric
@attribute NaaN numeric
@attribute CMC.80 numeric
@attribute Inflammat.80 numeric
@attribute SpMax6_Bh.m. numeric
@attribute NaaaC numeric
@attribute Hypertens.80 numeric
@attribute CATS2D_02_DN numeric
@attribute nRCOOH numeric
@attribute SAdon numeric
@attribute Eig15_AEA.ri. numeric
@attribute CATS2D_02_NL numeric
@attribute Eig13_AEA.bo. numeric
@attribute ATSC4i numeric
@attribute Eig14_AEA.ri. numeric
@attribute SpMax6_Bh.v. numeric
@attribute SpMax7_Bh.i. numeric
@attribute SsssN numeric
@attribute IAC numeric
@attribute TIC0 numeric
@attribute P_VSA_e_5 numeric
@attribute SpMin8_Bh.i. numeric
@attribute CATS2D_02_PN numeric
@attribute CATS2D_03_AP numeric
@attribute CATS2D_05_AA numeric
@attribute NsssN numeric
@attribute Rbrid numeric
@attribute SpMin6_Bh.e. numeric
@attribute NaaS numeric
@attribute SaaS numeric
@attribute MATS1m numeric
@attribute SpMin6_Bh.i. numeric
@attribute nThiophenes numeric
@attribute SpMax8_Bh.v. numeric
@attribute CATS2D_03_DP numeric
@attribute Eig13_AEA.ri. numeric
@attribute ATS1i numeric
@attribute MATS1p numeric
@attribute X0 numeric
@attribute SpMin8_Bh.e. numeric
@attribute nCIR numeric
@attribute ATS1e numeric
@attribute nArCONR2 numeric
@attribute TIC1 numeric
@attribute SpMax5_Bh.m. numeric
@attribute SpMin4_Bh.m. numeric
@attribute SpMax8_Bh.p. numeric
@attribute Eta_betaS numeric
@attribute TIC2 numeric
@attribute N.066 numeric
@attribute nRNH2 numeric
@attribute ATSC7i numeric
@attribute NsOH numeric
@attribute SsOH numeric
@attribute ATS2e numeric
@attribute MATS1s numeric
@attribute SpMax5_Bh.p. numeric
@attribute SpMax5_Bh.i. numeric
@attribute Dz numeric
@attribute X0sol numeric
@attribute C.043 numeric
@attribute MATS1e numeric
@attribute P_VSA_i_1 numeric
@attribute nBT numeric
@attribute SpMax1_Bh.v. numeric
@attribute P_VSA_s_6 numeric
@attribute SpMin8_Bh.p. numeric
@attribute ATS8v numeric
@attribute H.050 numeric
@attribute nHDon numeric
@attribute Eta_L numeric
@attribute nS numeric
@attribute S.107 numeric
@attribute SpMax5_Bh.e. numeric
@attribute ATS7v numeric
@attribute MATS2i numeric
@attribute SdssC numeric
@attribute Eig02_AEA.bo. numeric
@attribute SpMin7_Bh.e. numeric
@attribute Eig14_AEA.bo. numeric
@attribute Eta_betaS_A numeric
@attribute MATS4s numeric
@attribute SpMax7_Bh.e. numeric
@attribute CATS2D_00_DD numeric
@attribute CATS2D_00_DP numeric
@attribute CATS2D_00_PP numeric
@attribute NsNH2 numeric
@attribute SsNH2 numeric
@attribute Eig15_AEA.ed. numeric
@attribute ATSC6p numeric
@attribute SpMin2_Bh.v. numeric
@attribute SpMin7_Bh.s. numeric
@attribute CATS2D_05_DN numeric
@attribute SM02_EA.ed. numeric
@attribute P_VSA_MR_7 numeric
@attribute CATS2D_03_NL numeric
@attribute SpMin4_Bh.e. numeric
@attribute SpMax1_Bh.e. numeric
@attribute SpMin7_Bh.i. numeric
@attribute Psi_e_1 numeric
@attribute IC1 numeric
@attribute N.072 numeric
@attribute P_VSA_m_2 numeric
@attribute ATS2i numeric
@attribute ATSC8i numeric
@attribute Eig07_AEA.ri. numeric
@attribute Eig07_EA.ri. numeric
@attribute SM03_AEA.ed. numeric
@attribute SpMax6_Bh.p. numeric
@attribute ATS1v numeric
@attribute X2 numeric
@attribute X2A numeric
@attribute SpMin4_Bh.s. numeric
@attribute P_VSA_m_3 numeric
@attribute D.Dtr09 numeric
@attribute SM15_EA.bo. numeric
@attribute SpDiam_EA.bo. numeric
@attribute RCI numeric
@attribute RFD numeric
@attribute SpMin6_Bh.s. numeric
@attribute SpMin8_Bh.m. numeric
@attribute DLS_02 numeric
@attribute piPC06 numeric
@attribute X2sol numeric
@attribute piPC05 numeric
@attribute SM10_EA.bo. numeric
@attribute SM12_EA.bo. numeric
@attribute SM13_EA.bo. numeric
@attribute SM14_EA.bo. numeric
@attribute ATSC4p numeric
@attribute ON1V numeric
@attribute Eig15_AEA.bo. numeric
@attribute Rperim numeric
@attribute SpMaxA_EA.ri. numeric
@attribute SpMin6_Bh.m. numeric
@attribute SM11_EA.bo. numeric
@attribute Eig01_EA.bo. numeric
@attribute SM11_AEA.ri. numeric
@attribute SpMax_EA.bo. numeric
@attribute SM06_EA.bo. numeric
@attribute nCIC numeric
@attribute ICR numeric
@attribute SM09_EA.bo. numeric
@attribute SM08_EA.bo. numeric
@attribute ATS5m numeric
@attribute SpMin5_Bh.e. numeric
@attribute SpMin7_Bh.p. numeric
@attribute piPC09 numeric
@attribute piPC10 numeric
@attribute piPC07 numeric
@attribute piPC08 numeric
@attribute C.027 numeric
@attribute MDDD numeric
@attribute piPC04 numeric
@attribute IC2 numeric
@attribute ATSC3s numeric
@attribute CATS2D_05_AN numeric
@attribute Neoplastic.80 numeric
@attribute Se numeric
@attribute ATS3e numeric
@attribute ATSC5p numeric
@attribute SpAD_AEA.dm. numeric
@attribute MATS5e numeric
@attribute MWC04 numeric
@attribute nR09 numeric
@attribute MATS1i numeric
@attribute SpMin5_Bh.s. numeric
@attribute Eig03_AEA.ed. numeric
@attribute X5A numeric
@attribute SpDiam_EA.dm. numeric
@attribute SpMax3_Bh.i. numeric
@attribute SpMin6_Bh.p. numeric
@attribute SM05_EA.bo. numeric
@attribute ATS1s numeric
@attribute X4A numeric
@attribute SpMax3_Bh.v. numeric
@attribute GATS8i numeric
@attribute JGI8 numeric
@attribute SsssCH numeric
@attribute CATS2D_05_AP numeric
@attribute GATS8p numeric
@attribute nROH numeric
@attribute Eig05_EA.ri. numeric
@attribute MATS4e numeric
@attribute SM07_EA.bo. numeric
@attribute Eig04_EA.bo. numeric
@attribute SM14_AEA.ri. numeric
@attribute SM04_EA.bo. numeric
@attribute ATS6i numeric
@attribute Eig05_EA numeric
@attribute SM13_AEA.bo. numeric
@attribute CATS2D_02_AA numeric
@attribute GGI6 numeric
@attribute SpMin2_Bh.m. numeric
@attribute MPC09 numeric
@attribute Eig01_AEA.bo. numeric
@attribute SpMax_AEA.bo. numeric
@attribute MPC10 numeric
@attribute ATS5i numeric
@attribute SM06_AEA.bo. numeric
@attribute Eig09_EA.ed. numeric
@attribute SM04_AEA.ri. numeric
@attribute ATS8m numeric
@attribute HNar numeric
@attribute ISIZ numeric
@attribute nAT numeric
@attribute SpMax3_Bh.e. numeric
@attribute JGI9 numeric
@attribute NdO numeric
@attribute SpMin7_Bh.v. numeric
@attribute ATSC8m numeric
@attribute CATS2D_06_DD numeric
@attribute Si 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 MCD numeric
@attribute piPC03 numeric
@attribute SpMax3_Bh.m. numeric
@attribute ATSC3p numeric
@attribute CATS2D_04_NL numeric
@attribute GNar numeric
@attribute CATS2D_03_PL numeric
@attribute SpMin3_Bh.s. numeric
@attribute SpMin5_Bh.v. numeric
@attribute NaasC numeric
@attribute Chi0_EA.ed. numeric
@attribute Eig07_AEA.dm. numeric
@attribute SM05_AEA.bo. numeric
@attribute P_VSA_p_2 numeric
@attribute X0A numeric
@attribute Eig11_EA.bo. numeric
@attribute Hy numeric
@attribute CATS2D_08_AL numeric
@attribute GGI10 numeric
@attribute Eig02_AEA.ri. numeric
@attribute O.058 numeric
@attribute Chi0_EA.dm. numeric
@attribute piID numeric
@attribute Eig12_AEA.bo. numeric
@attribute MPC08 numeric
@attribute Eig05_AEA.ri. numeric
@attribute PW4 numeric
@attribute Eig02_EA numeric
@attribute SM10_AEA.bo. numeric
@attribute SpMin7_Bh.m. numeric
@attribute Eig11_AEA.dm. numeric
@attribute GGI2 numeric
@attribute JGI10 numeric
@attribute P_VSA_LogP_5 numeric
@attribute ATS5e numeric
@attribute SpMin6_Bh.v. numeric
@attribute Eig03_EA numeric
@attribute SM11_AEA.bo. numeric
@attribute X1 numeric
@attribute Eig10_EA.ed. numeric
@attribute SM05_AEA.ri. numeric
@attribute TIC3 numeric
@attribute Eig10_AEA.dm. numeric
@attribute pXC50 numeric

@data
{1 0.605,2 2.911,3 0.376,4 1.917,5 1,6 1,9 0.724,10 2.854,11 8.5,13 2,14 2,15 1,17 2.887,18 2,22 18.011,23 -0.408,25 0.588,26 0.709,27 -0.226,28 2.723,29 2.669,31 48.019,32 48.019,34 0.286,39 1,40 0.855,43 -0.003,44 0.803,46 2.197,48 0.108,49 3.56,50 0.003,51 13.242,52 0.385,53 4,54 3.466,56 88.954,57 3.083,58 1.216,59 2.185,60 12.25,61 114.954,64 0.442,67 3.908,68 -0.139,69 2.858,70 2.918,71 39.583,72 14.742,74 -0.083,76 30,77 3.989,78 72.72,79 0.682,80 2.812,81 1,82 1,83 3.773,86 2.872,87 3.124,88 0.012,90 4.044,91 0.593,92 0.269,93 0.645,94 -0.071,95 2.631,101 1.54,102 3.496,103 1.951,106 6.201,107 72.72,109 1.034,110 4.066,111 0.55,112 2.897,113 3.177,115 142.892,116 4.024,117 0.318,118 2.17,119 1.127,120 6.956,121 2.734,122 3.146,123 8.407,124 0.29,125 0.223,128 22.486,129 7.464,130 1.125,131 0.125,132 0.158,133 0.722,134 0.83,135 6.124,136 9.631,137 5.912,138 15.17,139 18.078,140 19.513,141 21.021,142 4.815,143 1.555,144 0.135,145 16,146 0.141,147 1.028,148 16.547,149 4.464,150 4.464,151 4.464,152 9.593,153 3,154 2.249,155 13.586,156 12.327,157 3.655,158 0.874,159 0.741,160 7.325,161 7.347,162 6.483,163 6.911,165 10.953,166 5.31,167 4.106,168 16.085,171 28.393,172 4.129,173 4.432,174 31.575,175 0.17,176 6.323,178 -0.104,179 0.193,180 5.168,181 0.077,182 0.8,183 3.468,184 0.982,185 7.644,186 4.659,187 0.118,188 3.278,189 0.964,190 0.012,193 1.629,195 1.556,196 -0.057,197 10.625,198 2.825,199 2.825,200 7.037,201 3.943,202 1.804,203 1.804,204 1,205 0.304,206 1.943,207 4.331,208 4.526,209 4.526,210 4.159,211 4.116,212 9.864,213 0.372,214 0.372,215 3.583,216 2,217 134.606,218 28,219 3.418,220 0.008,222 0.777,223 18.453,225 30.941,226 12.878,227 12.878,228 12.878,229 12.878,230 12.878,231 0.842,232 4.684,233 3.753,234 5.133,236 2.113,238 0.458,239 1.07,240 4,241 7.669,242 1.266,243 8.492,244 51.582,245 0.697,246 -0.529,247 -0.249,248 2,250 3.587,252 12.732,253 10.029,254 0.837,255 4.263,256 2.718,257 0.183,258 2.647,259 2.647,260 0.804,261 0.047,262 1.778,264 40.659,265 3.926,266 1.03,267 2.261,268 2.261,269 9.22,270 -0.684,271 -0.684,272 134.606,273 0.183,274 6.02}
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{0 CHEMBL1730632,1 1.077,2 3.015,3 0.623,4 5.922,5 1,6 1,9 1.406,10 3.015,11 4.002,13 1,14 1,15 1,16 1,17 3.145,19 1,22 18.011,23 0.716,25 2.011,26 1.245,27 1.229,28 2.824,29 2.922,30 1.216,31 74.467,32 74.467,33 75.435,34 0.824,38 1,39 3,40 1.157,43 0.02,44 1.122,46 2.716,48 1.644,49 4.016,50 0.005,51 19.413,52 0.868,53 8,54 3.924,56 161.911,57 3.393,58 1.754,59 2.722,60 18.75,61 200.705,64 0.852,67 4.485,68 -0.012,69 3.078,70 3.31,71 60.833,72 19.913,74 -0.041,76 48,77 4.015,78 131.369,79 1.02,80 3.422,81 1,82 1,83 6.566,86 3.285,87 3.65,88 -0.151,89 -0.729,90 4.255,91 1.107,92 1.686,93 0.67,94 0.038,95 2.88,101 2.789,102 6.64,103 1.936,104 0.256,106 6.911,107 74.887,109 1.543,110 4.107,111 1.087,112 4.878,113 3.68,114 2,115 151.197,116 4.603,117 0.781,118 2.709,119 1.702,120 7.621,121 2.8,122 3.547,123 12.715,124 0.265,125 0.944,126 75.435,127 111.689,128 21.261,129 7.023,130 1.227,131 0.273,132 0.413,133 1.105,134 1,135 6.019,136 13.086,137 5.875,138 14.601,139 17.257,140 18.539,141 19.944,142 9.14,143 2.705,144 1.137,145 21,146 0.108,147 1.362,148 15.824,149 4.023,150 4.023,151 4.023,152 9.471,153 5,154 2.914,155 13.114,156 11.994,157 4.079,158 1.267,159 1.332,160 6.953,161 7.213,162 6.385,163 6.668,164 1,165 26.071,166 5.429,167 4.561,168 73.124,170 1,171 44.796,172 4.81,173 7.619,174 52.591,175 -0.255,176 6.911,177 1,178 -0.09,179 0.522,180 6.052,181 0.065,182 3.493,183 3.872,184 1.367,185 7.669,186 5.09,187 0.103,188 3.752,189 0.978,190 0.013,191 -0.261,193 1.245,195 2.255,196 -0.034,197 10.404,198 3.008,199 3.008,200 7.102,201 4.542,202 2.214,203 2.214,204 2,205 0.573,206 1.922,207 5.347,208 4.624,209 4.624,210 5.389,211 4.715,212 10.304,213 3.883,214 3.883,215 3.475,216 2,217 240.215,218 44,219 3.839,220 0.009,221 3,222 1.322,223 22.129,225 48.974,226 18.999,227 18.999,228 18.999,229 18.999,230 18.999,231 0.786,232 4.883,233 3.824,234 9.867,236 2.155,238 1.085,239 1.487,240 4,241 10.845,242 2.163,243 8.922,244 113.355,245 0.693,246 1.5,247 -0.323,248 1,249 0.161,250 3.923,251 3,252 21.724,253 10.487,254 2.5,255 5.273,256 3.236,257 0.212,258 2.968,259 2.968,260 1.222,261 1.323,262 3.333,263 0.008,264 20.818,265 4.579,266 1.339,267 2.804,268 2.804,269 13.542,270 3.309,271 3.309,272 220.215,273 1.753,274 5.853}
{0 CHEMBL174216,1 1.23,2 3.289,3 0.718,4 5.91,6 1,9 1.573,10 3.215,11 4.829,13 1,14 1,15 1,16 1,17 3.037,18 2,19 1,23 0.4,25 1.133,26 1.611,27 0.656,28 2.992,29 3.206,30 2.228,31 70.844,32 70.844,33 36.145,34 0.992,38 1,39 2,40 1.201,43 0.077,44 1.119,46 2.86,48 0.83,49 4.135,50 -0.045,51 17.389,52 1.065,53 7,54 4.012,56 163.577,57 3.098,58 1.61,59 2.867,60 16,61 230.565,64 1.069,67 4.627,68 0.018,69 3.076,70 3.345,71 53,72 17.389,74 0.024,76 54,77 4.047,78 52.93,79 1.274,80 3.456,83 7.239,86 3.259,87 3.624,88 0.119,89 0.284,90 4.215,91 1.153,92 1.089,93 0.64,94 -0.159,95 3.111,101 2.369,102 10.402,103 2.043,104 0.62,106 6.613,107 16.786,109 1.363,110 4.116,111 1.064,112 4.038,113 3.207,115 112.957,116 4.817,117 0.927,118 2.521,119 1.499,120 7.358,121 2.995,122 3.52,123 10.945,124 0.274,125 0.825,126 36.145,128 22.463,129 7.454,130 1.2,131 0.2,132 0.712,133 1.37,134 1,135 6.383,136 10.945,137 5.974,138 15.158,139 18.061,140 19.503,141 20.998,142 12.009,143 3.388,144 0.653,145 20,146 0.111,147 1.513,148 16.552,149 4.454,150 4.454,151 4.454,152 9.578,153 4,154 2.923,155 13.615,156 12.314,157 3.665,158 1.25,159 1.376,160 7.644,161 7.642,162 6.828,163 7.247,165 22.064,166 5.334,167 4.521,168 29.523,170 1,171 50.461,172 4.924,173 11.481,174 43.559,175 -0.06,176 6.676,178 -0.145,179 0.809,180 6.021,181 0.07,182 2.555,183 3.789,184 1.433,185 7.756,186 4.959,187 0.113,188 3.616,189 0.921,190 0.01,191 0.467,193 0.908,195 1.91,196 -0.19,197 10.688,198 2.607,199 2.607,200 7.033,201 5.018,202 1.992,203 1.992,204 1,205 0.544,206 2.07,207 5.136,208 4.549,209 4.549,210 5.142,211 5.116,212 10.06,213 2.356,214 2.356,215 3.305,216 2,217 289.294,218 51,219 3.737,220 0.009,221 1,222 1.429,223 21.053,225 57.398,226 17.11,227 17.11,228 17.11,229 17.11,230 17.11,231 0.8,232 4.76,233 3.634,234 11.849,236 2.13,238 1.144,239 1.539,240 3,241 9.848,242 1.849,243 8.68,244 56.055,245 0.696,246 0.832,247 -0.83,248 6,249 0.091,250 3.961,251 1,252 19.071,253 10.058,254 1.499,255 4.977,256 2.954,257 0.185,258 2.962,259 2.962,260 1.483,261 1,262 3.333,263 0.006,264 14.213,265 4.862,266 1.451,267 2.646,268 2.646,269 12.152,270 2.275,271 2.275,272 253.784,273 1.093,274 8.097}
{0 CHEMBL174218,1 1.074,2 3.12,3 0.597,4 5.881,6 1,9 1.406,10 3.049,11 4.671,13 1,14 1,15 1,17 2.893,18 2,23 0.141,25 0.904,26 1.311,27 0.238,28 2.913,29 3.054,31 56.653,32 56.653,33 25.145,34 0.838,39 3,40 1.219,43 0.066,44 1.153,46 2.642,48 0.471,49 3.999,50 0.048,51 15.267,52 0.902,53 6,54 3.878,56 140.423,57 3.038,58 1.78,59 2.665,60 13.25,61 199.624,64 0.944,67 4.495,68 0.007,69 3.057,70 3.288,71 45.5,72 15.267,74 0.02,76 48,77 4.05,78 41.93,79 1.109,80 3.299,83 6.758,86 3.224,87 3.472,88 -0.042,89 0.368,90 4.256,91 1.074,92 0.548,93 0.602,94 -0.088,95 2.978,101 2.21,102 8.935,103 1.945,104 0.45,106 6.586,107 16.786,109 1.539,110 4.116,111 1.01,112 3.644,113 3.121,115 103.992,116 4.678,117 0.807,118 2.488,119 1.489,120 7.319,121 2.93,122 3.443,123 9.908,124 0.268,125 1.025,126 25.145,128 22.418,129 7.441,130 1.294,131 0.353,132 0.73,133 1.146,134 1,135 6.255,136 9.908,137 5.897,138 15.127,139 18.023,140 19.462,141 20.955,142 10.549,143 3.26,144 0.354,145 16,146 0.128,147 1.509,148 16.517,149 4.441,150 4.441,151 4.441,152 9.559,153 4,154 2.534,155 13.586,156 12.29,157 3.504,158 1.339,159 1.246,160 7.377,161 7.318,162 6.653,163 7.033,165 15.149,166 5.295,167 4.436,168 26.797,171 44.149,172 4.806,173 9.332,174 39.637,175 -0.162,176 6.619,178 0.013,179 0.83,180 5.891,181 0.068,182 2.555,183 3.685,184 1.426,185 7.749,186 4.796,187 0.108,188 3.551,189 1.124,190 0.01,191 1.742,193 1.063,195 1.847,196 -0.081,197 10.669,198 2.863,199 2.863,200 7.01,201 4.795,202 1.856,203 1.856,205 0.458,206 1.985,207 4.868,208 4.524,209 4.524,210 4.898,211 4.869,212 10.045,213 2.041,214 2.041,215 3.079,216 2,217 247.133,218 45,219 3.644,220 0.01,221 1,222 1.288,223 16.376,225 50.275,226 14.989,227 14.989,228 14.989,229 14.989,230 14.989,231 0.773,232 4.716,233 3.555,234 11.198,236 2.148,238 1.212,239 1.594,240 3,241 8.465,242 1.774,243 8.655,244 41.93,245 0.694,246 0.501,247 -0.896,248 5,249 0.085,250 4.002,251 1,252 9.349,253 9.611,254 1.225,255 4.754,256 2.851,257 0.198,258 3.017,259 3.017,260 1.357,261 0.504,262 2.889,263 0.011,264 13.845,265 4.632,266 1.456,267 2.638,268 2.638,269 10.652,270 1.414,271 1.414,272 223.624,273 0.649,274 7.886}
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{0 CHEMBL1783858,1 1.027,2 3.135,3 0.633,4 6.016,5 2,6 1,9 1.199,10 3.083,11 4.401,13 1,14 1,15 1,16 1,17 3.048,18 2,19 1,22 18.011,23 0.451,25 1.679,26 1.25,27 0.942,28 2.898,29 3.067,30 1.536,31 71.767,32 71.767,33 36.145,34 0.821,37 3,38 1,39 2,40 1.026,41 1,42 1.355,43 0.064,44 1.002,45 1,46 2.715,48 1.196,49 3.966,50 -0.029,51 18.096,52 0.886,53 7,54 3.867,55 1,56 168.039,57 3.31,58 1.613,59 2.735,60 17.5,61 202.113,64 0.884,67 4.35,68 -0.083,69 3.068,70 3.308,71 56,72 18.449,73 1,74 -0.058,75 31.278,76 45,77 4.053,78 85.483,79 1.062,80 3.368,81 1,82 1,83 5.248,84 1,85 1,86 3.248,87 3.514,88 0.086,89 -0.113,90 4.261,91 0.938,92 1.45,93 0.673,94 0.041,95 2.99,101 2.507,102 7.911,103 1.977,104 0.218,106 6.691,107 44.273,109 1.565,110 4.113,111 0.874,112 4.092,113 4.001,114 1,115 180.452,116 4.49,117 0.781,118 2.426,119 1.393,120 7.412,121 2.914,122 3.45,123 11.023,124 0.269,125 0.727,126 36.145,127 159.62,128 23.263,129 7.702,130 1.211,131 0.211,132 0.274,133 1.063,134 1,135 6.669,136 11.639,137 6.262,138 15.667,139 18.684,140 20.191,141 21.736,142 7.962,143 2.317,144 0.95,145 19,146 0.109,147 1.267,148 17.131,149 4.702,150 4.702,151 4.702,152 9.892,153 4,154 2.917,155 14.086,156 12.718,157 3.919,158 1.192,159 1.128,160 7.895,161 8.278,162 7.135,163 7.609,164 1,165 24.882,166 5.672,167 4.812,168 21.696,170 1,171 42.44,172 4.515,173 8.95,174 45.223,175 0.095,176 6.735,177 2,178 -0.189,179 0.571,180 5.888,181 0.067,182 2.38,183 3.691,184 1.24,185 8.013,186 5.058,187 0.106,188 3.492,189 1.112,190 0.008,193 1.166,195 1.84,196 0.044,197 11.054,198 2.928,199 2.928,200 7.28,201 4.651,202 2.021,203 2.021,204 2,205 0.751,206 1.947,207 5.298,208 4.754,209 4.754,210 5.403,211 4.777,212 10.248,213 2.737,214 2.737,215 3.428,216 2,217 226.477,218 42,219 3.637,220 0.007,221 1,222 1.128,223 14.649,225 46.823,226 18.085,227 18.085,228 18.085,229 18.085,230 18.085,231 0.731,232 5.005,233 3.603,234 7.183,236 2.124,238 0.84,239 1.515,240 5,241 10.676,242 1.833,243 8.848,244 90.851,245 0.696,246 1.02,247 -0.294,248 5,249 0.095,250 3.914,251 1,252 25.932,253 11.519,254 1.809,255 5.247,256 2.926,257 0.2,258 2.958,259 2.958,260 1.181,261 1.03,262 3.111,263 0.008,264 52.919,265 4.579,266 1.259,267 2.552,268 2.552,269 12.724,270 2.275,271 2.275,272 209.722,273 1.269,274 8.959}
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{0 CHEMBL186453,1 0.95,2 2.93,3 0.562,4 6.391,6 1,7 2,8 2,9 1.19,10 2.88,12 2,15 1,16 1,17 3.129,19 1,20 1,21 2,22 118.264,23 -0.003,24 3,25 0.696,26 1.174,27 -0.002,28 2.764,29 2.921,31 73.905,32 73.905,33 146.656,34 0.46,35 1,36 2,39 1,40 0.867,43 -0.031,44 0.824,46 2.416,47 1,48 0.273,49 3.861,50 0.147,51 17.861,52 0.556,53 4,54 3.789,56 154.26,57 3.369,58 1.378,59 2.367,60 15.5,61 176.666,62 1,63 1,64 0.766,65 2,66 18.42,67 4.327,68 -0.117,69 2.895,70 3.162,71 55.667,72 17.939,74 -0.132,76 40,77 4.016,78 272.811,79 0.956,80 3.357,81 4,82 4,83 6.383,86 3.146,87 3.425,88 -0.138,89 -3.161,90 4.359,91 0.733,92 0.443,93 0.646,94 -0.213,95 2.867,96 1,97 1,98 1,99 1,100 5.888,101 2.366,102 6.777,103 1.844,105 2,106 7.022,107 78.297,108 3,109 1.237,110 4.113,111 0.73,112 4.701,113 4.059,115 80.459,116 4.422,117 0.629,118 2.306,119 1.233,120 7.708,121 2.79,122 3.342,123 11.269,124 0.268,125 0.579,126 161.617,128 21.658,129 7.136,130 1.167,131 0.167,132 0.161,133 0.944,134 1,135 5.26,136 11.417,137 5.237,138 14.763,139 17.511,140 18.872,141 20.279,142 9.389,143 2.047,144 0.435,145 12,146 0.152,147 1.081,148 16.095,149 4.136,150 4.136,151 4.136,152 9.401,153 3,154 2.642,155 13.327,156 12.049,157 3.846,158 1.114,159 1.012,160 5.642,161 5.964,162 5.213,163 5.306,165 19.583,166 4.847,167 4.649,168 218.742,169 3,170 1,171 39.967,172 4.684,173 8.287,174 43.253,175 0.051,176 6.808,178 0.136,179 0.399,180 5.951,181 0.06,182 4.19,183 3.509,184 1.199,185 7.799,186 5.064,187 0.095,188 3.301,189 0.966,190 0.018,191 -3.267,192 1,193 0.983,194 2,195 1.889,196 -0.203,197 10.567,198 2.825,199 2.825,200 6.9,201 4.604,202 1.994,203 1.994,205 0.558,206 1.809,207 4.595,208 5.082,209 5.082,210 4.691,211 4.83,212 10.448,213 2.248,214 2.248,215 3.734,216 1.694,217 199.421,218 38,219 3.505,220 0.013,221 2,222 1.054,223 19.962,224 1,225 43.095,226 15.114,227 15.114,228 15.114,229 15.114,230 15.114,231 0.5,232 4.491,233 3.495,234 9.007,236 1.925,237 2,238 0.982,239 1.347,240 3,241 8.151,242 2.149,243 8.962,244 179.554,245 0.744,246 0.129,247 1.901,248 2,249 0.12,250 4.246,251 2,252 17.822,253 8.198,254 0.882,255 4.5,256 2.973,257 0.181,258 3.282,259 3.282,260 1.001,261 0.694,262 5.778,263 0.011,264 10.187,265 4.639,266 1.13,267 2.828,268 2.828,269 11.129,270 1.439,271 1.439,272 189.421,273 1.091,274 4.015}
{0 CHEMBL188906,1 1.069,2 3.206,3 0.635,4 5.799,6 1,9 1.369,10 3.119,11 4.653,13 1,14 1,15 1,16 1,17 2.929,18 2,19 1,23 0.141,25 0.904,26 1.412,27 0.401,28 2.923,29 3.188,31 63.543,32 63.543,33 36.145,34 0.987,39 1,40 1.153,43 0.057,44 1.064,46 2.862,48 0.472,49 4.05,50 -0.017,51 16.397,52 1.052,53 4,54 3.929,56 151.84,57 3.078,58 1.662,59 2.868,60 13.75,61 215.814,64 0.961,67 4.523,68 -0.006,69 3.082,70 3.361,71 48.5,72 16.397,74 0.021,76 50,77 4.04,78 52.93,79 1.231,80 3.384,83 6.685,86 3.281,87 3.511,88 0.007,89 0.278,90 4.173,91 1.111,92 0.573,93 0.598,94 -0.163,95 3.111,101 2,102 9.876,103 2.036,104 0.552,106 6.46,107 16.786,109 1.357,110 4.102,111 1.038,112 3.618,113 3.163,115 114.875,116 4.713,117 0.835,118 2.166,119 1.163,120 7.216,121 2.941,122 3.442,123 9.758,124 0.279,125 0.825,126 36.145,128 22.411,129 7.441,130 1.125,131 0.125,132 0.725,133 1.339,134 1,135 6.223,136 9.758,137 5.858,138 15.11,139 18.012,140 19.452,141 20.947,142 11.346,143 3.288,144 0.506,145 16,146 0.124,147 1.513,148 16.502,149 4.441,150 4.441,151 4.441,152 9.53,153 3,154 2.773,155 13.565,156 12.268,157 3.541,158 1.274,159 1.35,160 7.298,161 7.161,162 6.62,163 6.98,165 18.998,166 5.227,167 4.496,168 30.069,170 1,171 47.36,172 4.801,173 11.202,174 38.588,175 -0.059,176 6.526,178 -0.057,179 0.804,180 5.8,181 0.073,182 2.555,183 3.681,184 1.376,185 7.705,186 4.897,187 0.117,188 3.538,189 1.055,190 0.01,191 0.47,193 1.027,195 1.868,196 -0.175,197 10.638,198 2.598,199 2.598,200 6.977,201 4.961,202 1.921,203 1.921,205 0.545,206 2.065,207 4.644,208 4.52,209 4.52,210 4.605,211 5.102,212 9.967,213 2.275,214 2.275,215 3.211,216 1.89,217 268.078,218 48,219 3.639,220 0.01,221 1,222 1.375,223 18.491,225 53.9,226 15.618,227 15.618,228 15.618,229 15.618,230 15.618,231 0.696,232 4.67,233 3.543,234 10.727,236 2.041,238 1.029,239 1.562,240 3,241 8.965,242 1.778,243 8.587,244 52.93,245 0.713,246 0.447,247 -0.858,248 6,249 0.083,250 3.901,251 1,252 13.662,253 9.356,254 1.225,255 4.575,256 2.897,257 0.18,258 2.9,259 2.9,260 1.422,261 0.506,262 3.111,263 0.008,264 13.845,265 4.834,266 1.429,267 2.532,268 2.532,269 11.118,270 0.8,271 0.8,272 231.814,273 1,274 9.06}
{0 CHEMBL194787,1 0.581,2 2.735,3 0.349,4 3.863,7 2,8 2,9 0.666,10 2.625,12 2,17 2.407,20 1,21 2,22 118.264,23 -0.915,24 3,25 -0.433,26 0.512,27 -0.883,28 2.19,29 2.255,31 45.267,32 45.267,33 146.875,35 1,36 1,37 1,39 1,40 0.439,43 -0.048,44 0.346,46 1.52,47 1,48 -0.563,49 3.48,50 0.22,51 11.215,53 3,54 3.396,56 90.587,57 2.603,58 1.09,59 1.481,60 10,61 104.096,62 1,63 1,64 0.071,65 2,66 17.655,67 3.926,68 -0.142,69 2.414,70 2.924,71 36,72 11.215,74 -0.144,76 26,77 3.866,78 199.172,79 0.42,80 0.638,81 4,82 4,83 4.021,86 2.835,87 1.581,88 -0.198,89 -2.448,90 4.201,91 0.261,92 -0.813,93 0.667,94 -0.248,95 2.143,96 1,97 1,98 1,99 1,100 5.627,101 1,102 1.163,103 1.749,105 1,106 6.358,108 2,109 0.81,110 3.995,111 0.131,112 2.663,113 3.623,115 61.943,116 4.034,117 0.022,118 1.133,119 0.144,120 7.077,121 2.137,122 2.833,123 7.126,124 0.285,126 146.875,128 20.003,129 6.195,130 1.25,131 0.25,133 0.335,134 1,135 4.554,136 7.126,137 4.29,138 13.564,139 16.132,140 17.413,141 18.713,142 3.799,143 1.308,144 -0.891,145 8,146 0.215,147 0.786,148 14.827,149 3.721,150 3.721,151 3.721,152 8.532,153 2,154 1.99,155 12.243,156 11.02,157 2.968,158 0.597,159 0.636,160 4.159,161 2.944,162 4.625,163 4.431,165 7.813,166 4.094,167 4.164,168 120.48,169 1,170 1,171 26.375,172 4.295,173 2.371,174 28.248,175 -0.155,176 6.221,178 0.242,180 5.508,181 0.066,182 4.883,183 3.198,184 0.956,185 7.04,186 4.743,187 0.102,188 2.937,191 -1.027,192 1,193 0.023,194 2,195 1.284,196 -0.166,197 9.655,198 1.762,199 1.762,200 6.184,201 3.579,202 1.323,203 1.323,205 0.243,206 1.763,207 3.045,208 4.574,209 4.574,210 1.609,211 4.113,212 9.753,213 -2,214 -2,215 0.38,216 1.682,217 116.096,218 25,219 3.21,221 2,222 0.694,223 2.35,224 1,225 28.704,226 9.369,227 9.369,228 9.369,229 9.369,230 9.369,231 0.533,232 3.85,233 3.153,234 4.465,235 1,236 1.903,237 1,238 0.224,239 1.098,241 5.118,242 0.815,243 8.328,244 199.172,245 0.748,246 -1.44,247 2.415,250 3.937,251 2,252 13.185,253 6.402,254 -0.211,255 3.526,256 2.307,257 0.172,258 2.96,259 2.96,260 0.693,261 -0.52,262 2.889,264 30.619,265 3.926,266 0.882,267 2.191,268 2.191,269 6.938,270 -2.142,271 -2.142,272 110.096,273 -0.266,274 4.298}
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{0 CHEMBL2063723,1 1.305,2 3.388,3 0.849,4 5.748,5 1,6 1,9 1.4,10 3.329,11 13.019,13 3,14 3,15 1,16 1,17 3.26,19 1,22 18.011,23 0.778,25 1.799,26 1.43,27 1.112,28 3.134,29 3.034,30 1.486,31 91.138,32 91.138,33 36.145,34 0.867,37 2,38 1,40 1.244,41 1,42 1.356,43 0.062,44 1.21,46 2.715,48 1.386,49 4.145,50 -0.07,51 20.803,52 0.935,53 3,54 4.029,55 1,56 195.975,57 3.407,58 1.713,59 2.735,60 19.25,61 247.419,64 1.198,67 4.548,68 -0.064,69 3.273,70 3.561,71 64,72 20.449,74 -0.047,75 31.278,76 53,77 3.895,78 101.462,79 1.19,80 3.601,81 1,82 1,83 6.495,84 1,85 1,86 3.502,87 3.677,88 0.056,89 -0.201,90 4.232,91 0.96,92 1.434,93 0.664,94 -0.055,95 2.985,101 2.493,102 9.867,103 1.975,104 0.464,106 6.572,107 68.367,109 1.494,110 3.992,111 0.944,112 4.422,113 3.843,114 1,115 195.726,116 4.729,117 1.013,118 2.513,119 1.447,120 7.338,121 3.124,122 3.533,123 12.397,124 0.295,125 0.861,126 51.105,128 21.322,129 7.026,130 1,132 0.469,133 1.181,134 1,135 6.087,136 12.594,137 5.827,138 14.647,139 17.31,140 18.59,141 20.003,142 9.601,143 2.962,144 1.076,145 17,146 0.095,147 1.417,148 15.862,149 4.026,150 4.026,151 4.026,152 9.493,153 3,154 3.254,155 13.134,156 12.031,157 4.022,158 1.411,159 1.239,160 6.975,161 7.254,162 6.43,163 6.698,165 34.143,166 5.373,167 4.851,168 54.938,170 1,171 51.705,172 4.709,173 9.636,174 47.882,175 -0.028,176 6.681,178 -0.228,179 0.752,180 5.701,181 0.077,182 2.293,183 3.772,184 1.38,185 7.609,186 5.187,187 0.121,188 3.578,189 0.991,190 0.011,191 0.251,193 1.09,195 2.041,196 -0.07,197 10.393,198 3.119,199 3.119,200 7.093,201 4.968,202 2.227,203 2.227,204 3,205 0.693,206 1.947,207 4.635,208 4.396,209 4.396,210 4.673,211 4.901,212 10.097,213 2.623,214 2.623,215 3.75,216 1.871,217 289.294,218 51,219 3.723,220 0.007,221 1,222 1.308,223 19.917,225 57.907,226 19.438,227 19.438,228 19.438,229 19.438,230 19.438,231 0.586,232 4.831,233 3.785,234 8.481,236 2.013,238 0.93,239 1.665,240 6,241 11.681,242 2.007,243 8.742,244 107.636,245 0.717,246 1.412,247 -0.268,248 3,249 0.135,250 3.848,251 1,252 22.586,253 10.408,254 2.176,255 4.615,256 3.154,257 0.169,258 2.88,259 2.88,260 1.315,261 1.192,262 3.111,263 0.006,264 34.062,265 4.703,266 1.389,267 2.604,268 2.604,269 13.974,270 2.465,271 2.465,272 255.029,273 1.205,274 6.61}
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{0 CHEMBL2112963,1 1.031,2 3.206,3 0.617,4 5.802,6 1,9 1.344,10 3.123,11 4.41,13 1,14 1,15 1,16 1,17 2.979,18 2,19 1,23 0.399,25 1.175,26 1.385,27 0.471,28 2.938,29 3.181,31 65.538,32 65.538,33 36.145,34 0.986,39 1,40 1.153,43 0.049,44 1.064,46 2.865,48 0.614,49 4.009,50 -0.019,51 17.104,52 1.044,53 4,54 3.896,56 155.025,57 3.172,58 1.61,59 2.868,60 14.5,61 206.574,64 0.941,67 4.475,68 0.05,69 3.086,70 3.353,71 51,72 17.104,74 0.009,76 48,77 4.041,78 83.99,79 1.207,80 3.383,83 6.557,86 3.286,87 3.51,88 -0.014,89 0.217,90 4.202,91 1.078,92 0.904,93 0.604,94 -0.126,95 3.111,101 2.2,102 8.635,103 2.033,104 0.527,106 6.491,107 16.786,109 1.347,110 4.101,111 1.015,112 3.786,113 3.37,115 153.711,116 4.651,117 0.83,118 2.249,119 1.245,120 7.244,121 2.941,122 3.441,123 9.95,124 0.276,125 0.825,126 36.145,128 22.465,129 7.454,130 1.125,131 0.125,132 0.564,133 1.213,134 1,135 6.363,136 9.95,137 5.953,138 15.158,139 18.061,140 19.503,141 20.999,142 10.665,143 3.15,144 0.557,145 16,146 0.119,147 1.509,148 16.551,149 4.454,150 4.454,151 4.454,152 9.577,153 3,154 2.907,155 13.611,156 12.314,157 3.624,158 1.244,159 1.312,160 7.555,161 7.442,162 6.787,163 7.172,165 21.222,166 5.319,167 4.491,168 39.182,170 1,171 45.694,172 4.771,173 9.941,174 42.483,175 -0.096,176 6.561,178 -0.056,179 0.798,180 5.869,181 0.073,182 4.069,183 3.678,184 1.376,185 7.735,186 4.968,187 0.117,188 3.542,189 0.999,190 0.01,191 0.386,193 0.991,195 1.868,196 -0.168,197 10.679,198 2.605,199 2.605,200 7.026,201 4.843,202 1.921,203 1.921,205 0.566,206 2.06,207 4.745,208 4.538,209 4.538,210 4.7,211 5.003,212 10.06,213 2.275,214 2.275,215 3.247,216 1.895,217 254.084,218 46,219 3.639,220 0.009,221 1,222 1.326,223 18.028,225 51.567,226 16.489,227 16.489,228 16.489,229 16.489,230 16.489,231 0.667,232 4.751,233 3.562,234 10.468,236 2.04,238 1.022,239 1.495,240 3,241 9.488,242 1.9,243 8.683,244 83.99,245 0.713,246 0.483,247 -0.823,248 5,249 0.083,250 3.914,251 1,252 14.723,253 9.621,254 1.499,255 4.654,256 2.897,257 0.187,258 2.912,259 2.912,260 1.371,261 1,262 3.111,263 0.007,264 44.904,265 4.754,266 1.429,267 2.55,268 2.55,269 11.656,270 0.929,271 0.929,272 222.574,273 1.093,274 7.959}
{0 CHEMBL2112964,1 1.117,2 3.206,3 0.668,4 5.75,6 1,9 1.407,10 3.111,11 3.986,13 1,14 1,15 1,17 2.882,18 2,23 0.083,25 0.904,26 1.478,27 0.4,28 2.91,29 3.125,31 66.315,32 66.315,33 36.145,34 0.871,39 1,40 1.153,43 0.047,44 1.064,46 2.777,48 0.472,49 3.995,50 -0.018,51 16.397,52 0.937,53 4,54 3.881,56 148.075,57 3.049,58 1.609,59 2.776,60 14,61 199.624,64 0.911,67 4.473,68 -0.004,69 3.009,70 3.299,71 50,72 15.527,76 47,77 4.033,78 67.89,79 1.137,80 3.335,83 6.529,86 3.225,87 3.464,88 0.057,89 0.184,90 4.173,91 1.058,92 0.573,93 0.609,94 -0.134,95 3.057,101 2,102 8.461,103 2.032,104 0.515,106 6.46,107 16.786,109 1.338,110 4.098,111 0.988,112 3.719,113 3.291,115 111.985,116 4.65,117 0.844,118 2.14,119 1.123,120 7.216,121 2.941,122 3.405,123 9.758,124 0.279,125 0.825,126 51.105,128 22.411,129 7.441,130 1.125,131 0.125,132 0.56,133 1.163,134 1,135 6.223,136 9.229,137 5.858,138 15.11,139 18.012,140 19.452,141 20.947,142 10.484,143 3.073,144 0.506,145 16,146 0.124,147 1.482,148 16.502,149 4.441,150 4.441,151 4.441,152 9.53,153 3,154 2.773,155 13.565,156 12.268,157 3.557,158 1.198,159 1.274,160 7.298,161 7.161,162 6.62,163 6.98,165 18.998,166 5.227,167 4.436,168 37.682,170 1,171 44.989,172 4.761,173 9.707,174 38.78,175 -0.119,176 6.526,178 -0.045,179 0.797,180 5.8,181 0.073,182 2.555,183 3.664,184 1.376,185 7.705,186 4.926,187 0.117,188 3.512,189 0.915,190 0.01,191 0.354,193 0.987,195 1.868,196 -0.168,197 10.638,198 2.598,199 2.598,200 6.977,201 4.786,202 1.921,203 1.921,205 0.545,206 2.057,207 4.644,208 4.52,209 4.52,210 4.605,211 4.971,212 9.967,213 2.275,214 2.275,215 3.255,216 1.89,217 247.133,218 45,219 3.623,220 0.01,221 1,222 1.304,223 18.463,225 50.824,226 15.618,227 15.618,228 15.618,229 15.618,230 15.618,231 0.696,232 4.67,233 3.538,234 10.411,236 2.041,238 1.02,239 1.462,240 3,241 8.965,242 1.813,243 8.587,244 52.93,245 0.713,246 0.447,247 -0.815,248 5,249 0.083,250 3.892,251 1,252 13.082,253 9.356,254 1.225,255 4.575,256 2.897,257 0.18,258 2.9,259 2.9,260 1.363,261 0.517,262 3.111,263 0.008,264 26.048,265 4.718,266 1.429,267 2.532,268 2.532,269 11.118,270 0.8,271 0.8,272 215.624,273 1,274 8.398}
{0 CHEMBL2112965,1 1.171,2 3.273,3 0.671,4 5.987,9 1.497,10 3.204,11 4.901,13 1,14 1,17 3.043,18 2,23 0.679,25 1.652,26 1.6,27 1.324,28 2.994,29 3.206,31 74.285,32 74.285,33 36.145,34 1.064,39 1,40 1.299,41 1,42 1.689,43 0.077,44 1.284,45 1,46 2.874,48 1.425,49 4.131,50 0.035,51 18.803,52 1.153,53 5,54 4.025,56 178.103,57 3.26,58 1.649,59 2.88,60 16.25,61 243.303,64 1.335,67 4.601,68 -0.001,69 3.193,70 3.431,71 56.5,72 19.156,74 0.019,75 31.278,76 55,77 4.061,78 52.93,79 1.29,80 3.574,83 7.678,84 1,85 1,86 3.388,87 3.798,88 -0.006,89 0.27,90 4.256,91 1.159,92 1.499,93 0.602,94 -0.159,95 3.111,101 2.639,102 13.655,103 2.034,104 0.563,106 6.65,107 16.786,109 1.442,110 4.118,111 1.094,112 4.31,113 3.425,115 134.01,116 4.764,117 1.07,118 2.617,119 1.578,120 7.394,121 3.008,122 3.601,123 11.49,124 0.274,125 0.825,126 36.145,128 22.581,129 7.474,130 1.095,131 0.095,132 0.752,133 1.356,134 1,135 6.556,136 11.987,137 6.092,138 15.29,139 18.185,140 19.624,141 21.117,142 12.376,143 3.489,144 1.135,145 21,146 0.104,147 1.513,148 16.68,149 4.474,150 4.474,151 4.474,152 9.734,153 4,154 2.985,155 13.749,156 12.458,157 3.949,158 1.332,159 1.376,160 7.943,161 8.111,162 7.038,163 7.493,165 26.326,166 5.521,167 4.679,168 31.527,171 51.436,172 4.87,173 13.13,174 46.065,175 -0.087,176 6.725,178 -0.015,179 0.807,180 6.042,181 0.07,182 2.555,183 3.816,184 1.395,185 7.882,186 5.019,187 0.113,188 3.732,189 0.949,190 0.011,191 0.44,193 0.932,195 2.101,196 -0.169,197 10.826,198 2.998,199 2.998,200 7.194,201 5.1,202 2.171,203 2.171,205 0.64,206 2.062,207 5.1,208 4.566,209 4.566,210 5.136,211 5.132,212 10.163,213 2.372,214 2.372,215 3.441,216 2,217 296.423,218 52,219 3.803,220 0.01,221 1,222 1.429,223 24.585,225 57.82,226 18.687,227 18.687,228 18.687,229 18.687,230 18.687,231 0.778,232 4.921,233 3.77,234 12.181,236 2.12,238 1.029,239 1.576,240 4,241 10.869,242 1.842,243 8.781,244 52.93,245 0.696,246 0.994,247 -0.843,248 6,249 0.116,250 3.974,251 1,252 12.805,253 10.6,254 2,255 4.963,256 3.14,257 0.19,258 2.965,259 2.965,260 1.445,261 1,262 3.333,263 0.006,264 17.031,265 4.904,266 1.436,267 2.667,268 2.667,269 13.19,270 2.275,271 2.275,272 264.913,273 1.093,274 6.08}
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{0 CHEMBL2179646,1 1.152,2 3.257,3 0.65,4 5.852,7 1,8 1,9 1.54,10 3.262,12 1,17 3.271,22 42.683,23 1.609,24 1,25 2.319,26 1.57,27 1.618,28 3.064,29 3.037,30 2.041,31 78.506,32 78.506,33 92.973,34 1.029,38 1,39 1,40 1.2,43 0.018,44 1.145,46 2.838,48 1.961,49 4.166,50 0.055,51 21.535,52 1.052,53 6,54 4.073,55 1,56 173.578,57 3.337,58 1.851,59 2.849,60 19.25,61 218.751,64 1.251,65 1,66 9.365,67 4.623,68 -0.041,69 3.191,70 3.387,71 65.833,72 22.035,74 -0.039,76 57,77 4.038,78 132.122,79 1.202,80 3.797,81 1,82 1,83 7.411,86 3.346,87 3.942,88 0.024,89 -0.886,90 4.411,91 1.13,92 1.754,93 0.621,94 0.036,95 2.997,101 3,102 11.561,103 1.961,104 0.321,106 6.893,107 39.149,108 3,109 1.647,110 4.094,111 1.129,112 5.143,113 3.275,114 1,115 141.545,116 4.759,117 1.095,118 2.814,119 1.74,120 7.627,121 3.029,122 3.695,123 13.945,124 0.273,125 1.126,126 92.973,127 123.243,128 22.038,129 7.164,130 1.077,131 0.077,132 0.682,133 1.194,134 0.83,135 6.549,136 14.316,137 6.206,138 15.134,139 17.886,140 19.229,141 20.666,142 12.982,143 3.413,144 1.618,145 26,146 0.091,147 1.461,148 16.423,149 4.164,150 4.164,151 4.164,152 9.8,153 5,154 2.967,155 13.617,156 12.426,157 4.02,158 1.577,159 1.416,160 7.851,161 8.262,162 7.035,163 7.436,165 31.536,166 5.645,167 4.127,168 39.073,171 53.127,172 4.928,173 12.441,174 55.821,175 -0.08,176 6.932,177 1,178 0.007,179 0.932,180 6.233,181 0.069,182 2.873,183 3.882,184 1.426,185 7.96,186 5.184,187 0.11,188 3.743,189 0.988,190 0.011,191 0.375,193 0.954,194 1,195 2.441,196 0.042,197 10.804,198 3.303,199 3.303,200 7.326,201 5.018,202 2.464,203 2.464,204 1,205 0.616,206 1.967,207 5.371,208 4.519,209 4.519,210 5.493,211 5.098,212 10.385,213 4.446,214 4.446,215 3.776,216 2,217 303.58,218 53,219 3.842,220 0.008,221 2,222 1.351,223 24.113,225 58.638,226 21.016,227 21.016,228 21.016,229 21.016,230 21.016,231 0.839,232 5.067,233 3.797,234 12.537,235 2,236 2.14,238 1.211,239 1.793,240 8,241 12.1,242 2.457,243 9,244 96.098,245 0.695,246 1.588,247 -0.425,248 6,249 0.197,250 4.029,251 2,252 15.726,253 11.979,254 2.532,255 5.257,256 3.458,257 0.195,258 3.046,259 3.046,260 1.248,261 1.391,262 4.222,263 0.008,264 25.8,265 4.899,266 1.439,267 2.866,268 2.866,269 15.008,270 3.383,271 3.383,272 261.215,273 1.425,274 4.523}
{0 CHEMBL2181519,1 1.128,2 3.214,3 0.717,4 5.64,5 1,6 1,9 1.276,10 3.142,11 13,13 3,14 3,15 1,16 1,17 3.049,19 1,22 18.011,23 0.428,25 1.794,26 1.342,27 0.778,28 2.955,29 3.009,30 1.49,31 75.854,32 75.854,33 25.145,34 0.821,37 2,38 1,40 1.13,41 1,42 1.364,43 0.059,44 1.094,46 2.617,48 1.293,49 4.019,50 -0.037,51 19.389,52 0.934,53 3,54 3.902,55 1,56 173.898,57 3.383,58 1.668,59 2.618,60 17.75,61 209.259,64 1.061,67 4.387,68 -0.024,69 3.216,70 3.422,71 58,72 19.742,74 -0.052,75 31.278,76 47,77 3.906,78 106.561,79 1.101,80 3.512,81 1,82 1,83 5.55,84 1,85 1,86 3.382,87 3.595,88 0.082,89 -0.19,90 4.24,91 0.956,92 1.076,93 0.657,94 -0.093,95 2.874,101 2.393,102 8.135,103 1.976,104 0.237,106 6.547,107 68.367,109 1.49,110 3.993,111 0.893,112 4.111,113 3.864,114 1,115 228.266,116 4.563,117 0.922,118 2.494,119 1.439,120 7.311,121 2.948,122 3.461,123 11.663,124 0.292,125 0.755,126 25.145,128 21.357,129 7.026,130 1,132 0.464,133 1.181,134 1,135 6.137,136 12.214,137 5.844,138 14.681,139 17.345,140 18.626,141 20.038,142 8.838,143 2.628,144 1.018,145 17,146 0.101,147 1.315,148 15.898,149 4.026,150 4.026,151 4.026,152 9.524,153 3,154 3.087,155 13.168,156 12.064,157 3.904,158 1.246,159 1.239,160 6.968,161 7.273,162 6.504,163 6.667,165 27.416,166 5.396,167 4.65,168 28.447,170 1,171 45.316,172 4.568,173 7.599,174 47.006,175 -0.111,176 6.637,178 -0.23,179 0.469,180 5.7,181 0.075,182 4.069,183 3.773,184 1.311,185 7.631,186 5.117,187 0.12,188 3.579,189 1.174,190 0.01,191 0.259,193 1.153,195 2.069,196 -0.085,197 10.424,198 3.198,199 3.198,200 7.116,201 4.739,202 2.213,203 2.213,204 3,205 0.633,206 1.947,207 4.533,208 4.397,209 4.397,210 4.595,211 4.72,212 10.154,213 2.49,214 2.49,215 3.607,216 1.862,217 247.133,218 45,219 3.723,220 0.008,221 1,222 1.293,223 15.692,225 50.61,226 18.024,227 18.024,228 18.024,229 18.024,230 18.024,231 0.63,232 4.863,233 3.785,234 7.359,236 2.014,238 0.861,239 1.389,240 6,241 10.551,242 2.004,243 8.796,244 127.696,245 0.718,246 1.038,247 -0.272,248 2,249 0.135,250 3.848,251 1,252 20.948,253 10.408,254 2.175,255 4.511,256 3.16,257 0.171,258 2.879,259 2.879,260 1.239,261 1,262 3.111,263 0.007,264 52.063,265 4.528,266 1.308,267 2.598,268 2.598,269 12.974,270 2.275,271 2.275,272 216.869,273 1.204,274 7.377}
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{0 CHEMBL243043,1 0.868,2 3.1,3 0.529,4 4.877,6 1,9 1.069,10 3.051,15 1,16 1,17 2.939,18 2,19 1,22 34.796,23 0.117,25 0.861,26 1.029,27 0.244,28 2.879,29 2.925,31 56.363,32 56.363,33 36.145,34 0.78,39 2,40 0.987,43 0.047,44 0.939,46 2.714,48 0.529,49 3.867,50 0.033,51 14.941,52 0.813,53 7,54 3.761,56 131.911,57 3.016,58 1.466,59 2.708,60 14.25,61 162.666,64 0.68,67 4.284,68 -0.049,69 2.963,70 3.19,71 47,72 14.941,74 -0.057,76 41,77 4.079,78 36.145,79 1.035,80 3.147,81 2,82 2,83 4.706,86 3.137,87 3.25,88 -0.07,89 -0.024,90 3.985,91 0.886,92 0.679,93 0.648,94 -0.163,95 2.864,101 2.209,102 5.627,103 1.984,104 0.218,106 6.447,109 1.243,110 4.159,111 0.821,112 3.529,113 3.471,114 1,115 143.632,116 4.423,117 0.613,118 2.364,119 1.338,120 7.185,121 2.858,122 3.342,123 9.656,124 0.276,125 0.612,126 36.145,127 131.59,128 22.974,129 7.619,130 1.211,131 0.211,132 0.293,133 1.022,134 1,135 6.321,136 9.656,137 6.015,138 15.449,139 18.438,140 19.928,141 21.462,142 7.482,143 2.285,144 0.566,145 19,146 0.128,147 1.2,148 16.892,149 4.619,150 4.619,151 4.619,152 9.723,153 4,154 2.704,155 13.866,156 12.525,157 3.396,158 1.134,159 1.062,160 7.292,161 7.507,162 6.718,163 7.151,165 17.769,166 5.45,167 4.281,168 25.67,170 1,171 38.043,172 4.522,173 6.797,174 39.031,175 0.029,176 6.544,177 2,178 0.007,179 0.534,180 5.39,181 0.072,182 2.302,183 3.699,184 1.235,185 7.825,186 4.855,187 0.111,188 3.517,189 0.953,190 0.009,193 0.95,195 1.852,196 -0.175,197 10.851,198 2.888,199 2.888,200 7.129,201 4.401,202 1.892,203 1.892,205 0.213,206 2.006,207 4.82,208 4.679,209 4.679,210 4.844,211 4.581,212 10.038,213 2.136,214 2.136,215 2.995,216 2.129,217 199.421,218 38,219 3.656,220 0.006,221 1,222 1.107,223 11.996,225 42.322,226 15.292,227 15.292,228 15.292,229 15.292,230 15.292,231 0.864,232 4.823,233 3.582,234 7.721,236 2.205,238 1.05,239 1.37,240 4,241 9.107,242 1.577,243 8.65,244 70.941,245 0.679,246 0.609,247 0.259,249 0.054,250 3.607,251 1,252 15.29,253 10.504,254 1.161,255 4.828,256 2.875,257 0.19,258 2.635,259 2.635,260 1.181,261 0.965,262 2.222,263 0.005,264 41.973,265 4.355,266 1.221,267 2.499,268 2.499,269 10.81,270 1.749,271 1.749,272 182.666,273 1,274 6.983}
{0 CHEMBL245176,1 1.489,2 3.304,3 0.827,4 5.935,6 1,9 2.026,10 3.228,15 1,16 1,17 3.039,18 2,19 1,22 52.807,23 1,25 1.721,26 2.035,27 1,28 3.073,29 3.304,31 78.796,32 78.796,33 50.29,34 1.017,39 8,40 1.262,43 0.063,44 1.192,46 2.91,48 1.425,49 4.246,50 0.097,51 18.88,52 1.076,53 13,54 4.119,56 183.207,57 3.167,58 1.692,59 2.876,60 18.5,61 235.181,64 1.078,67 4.765,68 0.011,69 3.12,70 3.356,71 59.5,72 18.88,74 -0.048,76 60,77 4.092,78 50.29,79 1.31,80 3.709,81 3,82 3,83 8.956,86 3.292,87 3.723,88 0.017,89 -0.03,90 4.448,91 1.248,92 1.149,93 0.661,94 -0.016,95 3.228,101 3.195,102 9.484,103 2.037,104 0.55,106 6.982,109 1.47,110 4.171,111 1.192,112 4.877,113 3.331,114 2,115 126.443,116 4.936,117 1.103,118 3,119 2,120 7.689,121 3.096,122 3.661,123 13.402,124 0.263,125 1.045,126 50.29,127 179.619,128 23.006,129 7.625,130 1.522,131 0.696,132 0.947,133 1.312,134 0.83,135 6.476,136 13.402,137 6.061,138 15.484,139 18.471,140 19.967,141 21.492,142 15.532,143 3.715,144 1,145 19,146 0.104,147 1.562,148 16.942,149 4.625,150 4.625,151 4.625,152 9.768,153 6,154 2.727,155 13.94,156 12.564,157 3.757,158 1.262,159 1.445,160 7.367,161 7.458,162 6.868,163 7.256,165 21.638,166 5.514,167 4.276,168 35.564,170 1,171 54.563,172 5.16,173 11.412,174 53.989,175 0.007,176 6.963,177 2,178 0.059,179 0.947,180 6.081,181 0.065,182 2.117,183 3.745,184 1.445,185 8.014,186 5.04,187 0.103,188 3.571,189 0.834,190 0.011,191 2.7,193 0.944,195 2.39,196 -0.048,197 10.966,198 3.132,199 3.132,200 7.198,201 5.067,202 2.395,203 2.395,205 0.495,206 2.038,207 5.278,208 4.685,209 4.685,210 5.352,211 5.194,212 10.378,213 4.108,214 4.108,215 3.568,216 2.14,217 317.975,218 55,219 3.706,220 0.005,221 2,222 1.47,223 23.515,224 1,225 61.896,226 19.135,227 19.135,228 19.135,229 19.135,230 19.135,231 0.821,232 4.91,233 3.646,234 15.628,236 2.255,238 1.086,239 1.489,240 3,241 10.755,242 2,243 8.972,244 103.097,245 0.674,246 1.472,247 0.847,249 0.149,250 4.252,251 2,252 13.684,253 10.72,254 1.979,255 5.384,256 3.397,257 0.204,258 3.265,259 3.265,260 1.43,261 1.48,262 3.111,263 0.006,264 25.73,265 4.927,266 1.489,267 2.771,268 2.771,269 13.584,270 3.539,271 3.539,272 259.936,273 1.56,274 6.506}
{0 CHEMBL245187,1 1.501,2 3.304,3 0.845,4 5.818,6 1,9 2.005,10 3.228,15 1,16 1,17 3.039,18 2,19 1,22 70.818,23 0.983,25 1.308,26 1.913,27 1,28 3.073,29 3.304,31 80.445,32 80.445,33 50.29,34 1.008,39 8,40 1.262,43 0.058,44 1.192,46 2.909,48 1,49 4.242,50 0.096,51 18.88,52 1.067,53 13,54 4.111,56 188.279,57 3.131,58 1.582,59 2.875,60 19,61 237.97,64 1.07,67 4.747,69 3.096,70 3.337,71 60,72 18.88,74 -0.072,76 59,77 4.085,78 50.29,79 1.31,80 3.676,81 4,82 4,83 8.657,86 3.258,87 3.662,88 -0.039,89 -0.144,90 4.465,91 1.218,92 1,93 0.679,94 0.052,95 3.228,101 3.199,102 8.079,103 2.034,104 0.541,106 6.974,109 1.394,110 4.167,111 1.149,112 4.871,113 3.487,114 3,115 141.491,116 4.917,117 1.066,118 3,119 2,120 7.678,121 3.096,122 3.64,123 13.537,124 0.265,125 0.947,126 50.29,127 180.329,128 22.98,129 7.619,130 1.522,131 0.696,132 0.924,133 1.268,134 0.83,135 6.426,136 13.537,137 6.035,138 15.452,139 18.442,140 19.939,141 21.466,142 14.389,143 3.59,144 1,145 19,146 0.103,147 1.562,148 16.911,149 4.619,150 4.619,151 4.619,152 9.74,153 6,154 2.727,155 13.905,156 12.531,157 3.779,158 1.262,159 1.445,160 7.279,161 7.466,162 6.814,163 7.217,165 21.51,166 5.518,167 4.407,168 42.404,170 1,171 53.781,172 5.143,173 9.44,174 53.548,175 -0.203,176 6.963,177 2,178 0.035,179 0.947,180 5.943,181 0.064,182 2.912,183 3.737,184 1.445,185 7.986,186 5.056,187 0.104,188 3.54,189 0.893,190 0.012,191 2.418,193 0.94,195 2.266,196 0.036,197 10.93,198 2.984,199 2.984,200 7.186,201 4.984,202 2.317,203 2.317,205 0.559,206 2.032,207 5.231,208 4.68,209 4.68,210 5.384,211 5.16,212 10.366,213 5.199,214 5.199,215 3.526,216 2.14,217 310.764,218 54,219 3.688,220 0.006,221 2,222 1.46,223 22.051,225 60.979,226 19.083,227 19.083,228 19.083,229 19.083,230 19.083,231 0.821,232 4.88,233 3.622,234 14.086,236 2.255,238 1.067,239 1.489,240 3,241 10.8,242 2.103,243 8.965,244 121.108,245 0.674,246 1.479,247 1.627,249 0.149,250 4.245,251 2,252 21.049,253 10.72,254 2.012,255 5.403,256 3.3,257 0.21,258 3.26,259 3.26,260 1.424,261 1.499,262 2.444,263 0.006,264 25.301,265 4.906,266 1.489,267 2.662,268 2.662,269 13.567,270 3.758,271 3.758,272 256.725,273 1.598,274 5.332}
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