@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL298

@attribute molecule_id {CHEMBL100502,CHEMBL100509,CHEMBL100538,CHEMBL100548,CHEMBL100609,CHEMBL100618,CHEMBL100685,CHEMBL100776,CHEMBL101063,CHEMBL101125,CHEMBL101208,CHEMBL101456,CHEMBL101528,CHEMBL101752,CHEMBL101803,CHEMBL101854,CHEMBL102461,CHEMBL102526,CHEMBL102537,CHEMBL102633,CHEMBL102703,CHEMBL102862,CHEMBL102867,CHEMBL102879,CHEMBL103119,CHEMBL103229,CHEMBL103276,CHEMBL103312,CHEMBL103457,CHEMBL103485,CHEMBL103750,CHEMBL103791,CHEMBL103968,CHEMBL104598,CHEMBL104958,CHEMBL105132,CHEMBL105153,CHEMBL105273,CHEMBL105303,CHEMBL105404,CHEMBL105527,CHEMBL105618,CHEMBL106722,CHEMBL107694,CHEMBL1082723,CHEMBL108300,CHEMBL108924,CHEMBL111808,CHEMBL111837,CHEMBL112054,CHEMBL1121,CHEMBL112387,CHEMBL112612,CHEMBL112622,CHEMBL112682,CHEMBL113041,CHEMBL114913,CHEMBL114916,CHEMBL114926,CHEMBL114980,CHEMBL114997,CHEMBL115093,CHEMBL115121,CHEMBL115456,CHEMBL115656,CHEMBL1161950,CHEMBL1171596,CHEMBL1172244,CHEMBL1172246,CHEMBL1172249,CHEMBL1172250,CHEMBL1172251,CHEMBL1172252,CHEMBL1172253,CHEMBL1172428,CHEMBL1172429,CHEMBL118189,CHEMBL118610,CHEMBL118622,CHEMBL118954,CHEMBL119608,CHEMBL119960,CHEMBL119992,CHEMBL120015,CHEMBL120021,CHEMBL120031,CHEMBL120150,CHEMBL120168,CHEMBL120257,CHEMBL120296,CHEMBL120335,CHEMBL120363,CHEMBL120401,CHEMBL120452,CHEMBL120528,CHEMBL120632,CHEMBL120657,CHEMBL120793,CHEMBL120827,CHEMBL121021,CHEMBL121028,CHEMBL121267,CHEMBL121331,CHEMBL121624,CHEMBL121703,CHEMBL122012,CHEMBL122872,CHEMBL122934,CHEMBL123056,CHEMBL123852,CHEMBL123951,CHEMBL123981,CHEMBL124004,CHEMBL124015,CHEMBL1242923,CHEMBL1242950,CHEMBL124306,CHEMBL124340,CHEMBL124396,CHEMBL124611,CHEMBL124822,CHEMBL124944,CHEMBL124993,CHEMBL125253,CHEMBL125863,CHEMBL125874,CHEMBL125925,CHEMBL126002,CHEMBL126421,CHEMBL126865,CHEMBL126957,CHEMBL127397,CHEMBL127521,CHEMBL127687,CHEMBL127969,CHEMBL128007,CHEMBL128031,CHEMBL129070,CHEMBL13095,CHEMBL132314,CHEMBL132603,CHEMBL132699,CHEMBL1328,CHEMBL132875,CHEMBL133087,CHEMBL134340,CHEMBL134618,CHEMBL134657,CHEMBL134750,CHEMBL134987,CHEMBL135060,CHEMBL135166,CHEMBL135167,CHEMBL135218,CHEMBL135289,CHEMBL135290,CHEMBL135364,CHEMBL135371,CHEMBL135405,CHEMBL135433,CHEMBL135447,CHEMBL135538,CHEMBL135618,CHEMBL135638,CHEMBL135702,CHEMBL135715,CHEMBL135901,CHEMBL135988,CHEMBL136038,CHEMBL136408,CHEMBL136412,CHEMBL136436,CHEMBL136608,CHEMBL136919,CHEMBL136966,CHEMBL136975,CHEMBL136990,CHEMBL137043,CHEMBL137066,CHEMBL137208,CHEMBL137213,CHEMBL137238,CHEMBL137240,CHEMBL137398,CHEMBL137516,CHEMBL137520,CHEMBL137535,CHEMBL137567,CHEMBL137684,CHEMBL137714,CHEMBL137726,CHEMBL137748,CHEMBL137779,CHEMBL137810,CHEMBL138122,CHEMBL138592,CHEMBL139514,CHEMBL139520,CHEMBL139615,CHEMBL140365,CHEMBL140479,CHEMBL140495,CHEMBL140516,CHEMBL140620,CHEMBL140749,CHEMBL140850,CHEMBL140974,CHEMBL140984,CHEMBL141048,CHEMBL141051,CHEMBL141354,CHEMBL141365,CHEMBL141629,CHEMBL141786,CHEMBL147186,CHEMBL14724,CHEMBL149034,CHEMBL151276,CHEMBL151619,CHEMBL151729,CHEMBL151888,CHEMBL155017,CHEMBL155406,CHEMBL156415,CHEMBL156559,CHEMBL156642,CHEMBL156814,CHEMBL157658,CHEMBL157722,CHEMBL158078,CHEMBL158362,CHEMBL158538,CHEMBL158846,CHEMBL158961,CHEMBL15905,CHEMBL160485,CHEMBL160753,CHEMBL1628582,CHEMBL1628621,CHEMBL163049,CHEMBL163610,CHEMBL165869,CHEMBL166089,CHEMBL166941,CHEMBL168253,CHEMBL168263,CHEMBL168386,CHEMBL168852,CHEMBL168855,CHEMBL168903,CHEMBL16900,CHEMBL169054,CHEMBL169126,CHEMBL169362,CHEMBL169438,CHEMBL169440,CHEMBL169453,CHEMBL169466,CHEMBL169567,CHEMBL169661,CHEMBL169675,CHEMBL169703,CHEMBL169767,CHEMBL169794,CHEMBL169807,CHEMBL16992,CHEMBL169931,CHEMBL169953,CHEMBL170068,CHEMBL170275,CHEMBL170293,CHEMBL170777,CHEMBL171108,CHEMBL171227,CHEMBL171531,CHEMBL171593,CHEMBL171594,CHEMBL171651,CHEMBL171722,CHEMBL17189,CHEMBL171940,CHEMBL17249,CHEMBL17284,CHEMBL17292,CHEMBL17534,CHEMBL1773877,CHEMBL1774043,CHEMBL177799,CHEMBL1806526,CHEMBL1806527,CHEMBL1806528,CHEMBL1806529,CHEMBL1806530,CHEMBL1806531,CHEMBL1806532,CHEMBL1806772,CHEMBL1807149,CHEMBL1807150,CHEMBL1807151,CHEMBL189634,CHEMBL1907660,CHEMBL1907661,CHEMBL1907662,CHEMBL1907665,CHEMBL1907666,CHEMBL1907667,CHEMBL1907711,CHEMBL1907712,CHEMBL1907713,CHEMBL1907714,CHEMBL1907715,CHEMBL1907716,CHEMBL1907717,CHEMBL1907718,CHEMBL1907719,CHEMBL1907720,CHEMBL1907721,CHEMBL1907722,CHEMBL1907723,CHEMBL1907724,CHEMBL1907725,CHEMBL1907726,CHEMBL1907727,CHEMBL1907728,CHEMBL1907729,CHEMBL1907730,CHEMBL1907731,CHEMBL1907732,CHEMBL1907733,CHEMBL1907734,CHEMBL1907735,CHEMBL1907736,CHEMBL1907737,CHEMBL1907738,CHEMBL1907739,CHEMBL1907740,CHEMBL1907741,CHEMBL1907742,CHEMBL1907743,CHEMBL1907744,CHEMBL1907838,CHEMBL1907839,CHEMBL1907840,CHEMBL1907841,CHEMBL1907842,CHEMBL1907843,CHEMBL1907844,CHEMBL1907845,CHEMBL1907846,CHEMBL1907847,CHEMBL1907848,CHEMBL1907849,CHEMBL1907850,CHEMBL1907851,CHEMBL1907852,CHEMBL1907853,CHEMBL1907855,CHEMBL1907856,CHEMBL1907927,CHEMBL1907929,CHEMBL1907930,CHEMBL1907931,CHEMBL1907932,CHEMBL1917058,CHEMBL1917060,CHEMBL1933100,CHEMBL1933103,CHEMBL1933104,CHEMBL196143,CHEMBL20223,CHEMBL202680,CHEMBL202861,CHEMBL2028898,CHEMBL203530,CHEMBL20408,CHEMBL204154,CHEMBL204683,CHEMBL20514,CHEM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@attribute Eig01_AEA.dm. numeric
@attribute SpDiam_AEA.dm. numeric
@attribute SpMax_AEA.dm. numeric
@attribute nCONN numeric
@attribute SM05_EA.dm. numeric
@attribute SM03_EA.dm. numeric
@attribute SM07_EA.dm. numeric
@attribute CATS2D_05_DA numeric
@attribute MATS2e numeric
@attribute Eig01_EA.ed. numeric
@attribute SM10_AEA.dm. numeric
@attribute SpMax_EA.ed. numeric
@attribute SM15_AEA.ed. numeric
@attribute Eig03_EA.dm. numeric
@attribute Eig01_AEA.ed. numeric
@attribute SpMax_AEA.ed. numeric
@attribute MATS7v numeric
@attribute SM06_EA.dm. numeric
@attribute nCrt numeric
@attribute SpMin1_Bh.s. numeric
@attribute Eig05_EA.dm. numeric
@attribute Eig01_AEA.ri. numeric
@attribute SpMax_AEA.ri. numeric
@attribute Eig01_EA.dm. numeric
@attribute SpMax_EA.dm. numeric
@attribute Eig01_EA numeric
@attribute SM09_AEA.bo. numeric
@attribute SpDiam_EA numeric
@attribute SpMax_EA numeric
@attribute P_VSA_LogP_4 numeric
@attribute SM08_EA.dm. numeric
@attribute SM15_EA.dm. numeric
@attribute SpMax4_Bh.p. numeric
@attribute ATSC5s numeric
@attribute P_VSA_v_2 numeric
@attribute Eig09_AEA.dm. numeric
@attribute GATS2s numeric
@attribute Eig08_AEA.dm. numeric
@attribute SpMax1_Bh.s. numeric
@attribute SM12_EA.dm. numeric
@attribute Eig01_EA.bo. numeric
@attribute SM11_AEA.ri. numeric
@attribute SpDiam_EA.bo. numeric
@attribute SpMax_EA.bo. numeric
@attribute TPSA.NO. numeric
@attribute Eig05_AEA.dm. numeric
@attribute SM15_EA.ed. numeric
@attribute D.Dtr07 numeric
@attribute nR11 numeric
@attribute P_VSA_p_2 numeric
@attribute D.Dtr11 numeric
@attribute SM10_EA.dm. numeric
@attribute Eig07_EA.dm. numeric
@attribute P_VSA_e_5 numeric
@attribute SM04_EA.dm. numeric
@attribute SM14_EA.dm. numeric
@attribute P_VSA_m_3 numeric
@attribute SM13_EA.dm. numeric
@attribute nDB numeric
@attribute CATS2D_02_DD numeric
@attribute Eig02_AEA.dm. numeric
@attribute ATSC5e numeric
@attribute ATS5s numeric
@attribute Eig03_AEA.dm. numeric
@attribute SpMin7_Bh.s. numeric
@attribute Eig05_EA numeric
@attribute SM13_AEA.bo. numeric
@attribute SpMax4_Bh.i. numeric
@attribute S3K numeric
@attribute Eig01_EA.ri. numeric
@attribute SpDiam_EA.ri. numeric
@attribute SpMax_EA.ri. numeric
@attribute ON0 numeric
@attribute X0sol numeric
@attribute C.003 numeric
@attribute SpMax4_Bh.v. numeric
@attribute S2K numeric
@attribute SAacc numeric
@attribute Eig06_EA.dm. numeric
@attribute nHAcc numeric
@attribute PHI numeric
@attribute S1K numeric
@attribute MAXDN numeric
@attribute SpDiam_EA.ed. numeric
@attribute Eig06_AEA.ri. numeric
@attribute P_VSA_e_3 numeric
@attribute Eig04_EA.dm. numeric
@attribute SpMax4_Bh.m. numeric
@attribute SM09_EA.dm. numeric
@attribute SpDiam_AEA.ed. numeric
@attribute Eig02_EA.dm. numeric
@attribute SpMin4_Bh.m. numeric
@attribute SpMin6_Bh.p. numeric
@attribute SpMax4_Bh.s. numeric
@attribute CIC5 numeric
@attribute SpDiam_AEA.ri. numeric
@attribute SdO numeric
@attribute SpMin4_Bh.e. numeric
@attribute Eig11_AEA.ed. numeric
@attribute Eig06_EA numeric
@attribute SM14_AEA.bo. numeric
@attribute TIE numeric
@attribute Eig04_AEA.dm. numeric
@attribute SAtot numeric
@attribute ATS8s numeric
@attribute TPSA.Tot. numeric
@attribute Eig07_AEA.ri. numeric
@attribute X0v numeric
@attribute Eta_epsi numeric
@attribute IAC numeric
@attribute TIC0 numeric
@attribute SM02_EA.dm. numeric
@attribute CATS2D_02_AA numeric
@attribute VvdwMG numeric
@attribute Vx numeric
@attribute Eig10_AEA.dm. numeric
@attribute SM11_EA.dm. numeric
@attribute GATS3v numeric
@attribute Eig06_AEA.dm. numeric
@attribute DBI numeric
@attribute ATS6s numeric
@attribute MPC08 numeric
@attribute ATSC2s numeric
@attribute Eig07_EA numeric
@attribute SM15_AEA.bo. numeric
@attribute C.041 numeric
@attribute ATS5e numeric
@attribute Eig08_EA numeric
@attribute SM02_AEA.dm. numeric
@attribute SpAD_EA.dm. numeric
@attribute SPI numeric
@attribute MPC07 numeric
@attribute Uindex numeric
@attribute SM14_EA.ed. numeric
@attribute Eig07_EA.ri. numeric
@attribute ATSC3s numeric
@attribute P_VSA_i_4 numeric
@attribute RFD numeric
@attribute Eta_L numeric
@attribute VvdwZAZ numeric
@attribute LPRS numeric
@attribute SIC4 numeric
@attribute SpDiam_AEA.bo. numeric
@attribute Eig11_AEA.dm. numeric
@attribute P_VSA_LogP_2 numeric
@attribute Eig08_EA.ed. numeric
@attribute SM03_AEA.ri. numeric
@attribute SpMin8_Bh.v. numeric
@attribute ATSC2e numeric
@attribute Eig12_AEA.dm. numeric
@attribute SssssC numeric
@attribute Eig08_AEA.ri. numeric
@attribute SIC5 numeric
@attribute SMTIV numeric
@attribute MPC09 numeric
@attribute ATS4s numeric
@attribute SpMax7_Bh.v. numeric
@attribute SsssN numeric
@attribute Eig08_AEA.ed. numeric
@attribute Eig03_AEA.ed. numeric
@attribute ATSC5m numeric
@attribute O. numeric
@attribute CATS2D_04_AA numeric
@attribute Eig08_AEA.bo. numeric
@attribute SM15_EA.bo. numeric
@attribute SpDiam_EA.dm. numeric
@attribute MATS4v numeric
@attribute CATS2D_08_DL numeric
@attribute SssNH numeric
@attribute SpMax4_Bh.e. numeric
@attribute SRW09 numeric
@attribute SAdon numeric
@attribute ATS2s numeric
@attribute Eig14_EA numeric
@attribute SM08_AEA.dm. numeric
@attribute ATSC1i numeric
@attribute UNIP numeric
@attribute MATS7p numeric
@attribute Psi_i_s numeric
@attribute SdssC numeric
@attribute SpMin4_Bh.i. numeric
@attribute Eig06_EA.ed. numeric
@attribute SM15_AEA.dm. numeric
@attribute GATS1i numeric
@attribute ATSC8s numeric
@attribute CATS2D_08_AL numeric
@attribute CATS2D_05_AA numeric
@attribute nHet numeric
@attribute SpMAD_EA.dm. numeric
@attribute MPC10 numeric
@attribute ATSC8m numeric
@attribute SM14_EA.bo. numeric
@attribute SpMax5_Bh.s. numeric
@attribute Eig07_AEA.dm. numeric
@attribute Eta_B numeric
@attribute Eig09_EA numeric
@attribute SM03_AEA.dm. numeric
@attribute Eig07_EA.ed. numeric
@attribute SM02_AEA.ri. numeric
@attribute SpMax1_Bh.p. numeric
@attribute ATS3s numeric
@attribute Chi0_EA.dm. numeric
@attribute GATS7p numeric
@attribute Eig05_AEA.ri. numeric
@attribute O.058 numeric
@attribute Eig04_AEA.ed. numeric
@attribute CENT numeric
@attribute pXC50 numeric

@data
{1 3.92,2 5.92,3 3.92,4 1,5 3.686,6 2.2,7 5.137,8 2,9 0.186,10 11.598,11 11.598,12 11.598,13 29.383,14 1.058,15 6.908,16 6.908,17 -0.063,18 4.769,20 1.295,21 0.757,22 4.227,23 4.227,24 2.062,25 2.062,26 3.27,27 3.27,28 5.27,29 3.27,30 57.322,31 6.045,32 10.883,33 3.478,34 103.975,35 112.47,36 1.971,37 0.519,38 2.226,39 7.434,40 8.781,41 4.075,42 4.075,43 7.075,44 4.075,45 80.28,46 2.814,47 36.825,48 102.298,49 1,50 112.47,51 171.388,52 7.393,53 0.24,54 50.29,55 3.64,56 10.193,57 50.29,58 9.445,59 3,60 1,61 3.535,62 0.769,63 6.42,64 3.332,65 0.794,66 2.36,67 2.36,68 3.702,69 6.101,70 3.128,71 5.128,72 3.128,73 18.167,74 24.786,76 3.486,77 11.805,78 112.47,79 0.474,80 8,81 8.556,82 25.368,83 2.345,84 19.211,85 3.201,86 62.18,87 0.8,88 3.579,89 6.576,90 6.678,91 1.653,92 1.893,93 1.716,94 4.742,95 0.595,96 5.295,97 26.644,98 1.645,99 3.567,100 2.243,101 2.243,102 72.473,103 2.887,104 655.869,105 6.35,106 80.28,107 2.906,108 20.958,109 39.233,110 104.623,111 104.623,112 2.848,113 2,114 262.602,115 632.508,116 1.625,117 8.01,118 0.95,119 2.698,120 3.742,121 6.384,122 5.209,123 34.944,124 1.943,125 1.943,126 1,127 5.323,128 1.768,129 1.768,130 14.243,131 17.806,132 5.081,133 59.096,134 34.395,135 1.873,136 54.681,137 62.18,138 0.087,139 9.117,140 464.24,141 186.704,142 0.903,143 5.537,144 1.33,145 57.278,146 4.926,147 4.926,148 1.434,149 0.461,150 1.315,152 2.738,153 0.903,154 23345,155 5.283,156 6.29,157 3.101,158 6.265,159 4.667,160 5.951,161 48.072,162 2.8,163 2,164 3.006,165 21.292,166 3.584,167 0.037,168 4,169 5.731,170 3.653,171 5.46,172 36.022,173 5.876,174 1,175 1,176 1.076,177 144,178 -0.046,179 75,180 0.093,181 1.582,182 6.298,183 6.298,184 1.599,185 99.715,186 13,187 4,188 8,189 0.375,190 5.361,191 48.246,192 19.957,193 4.493,194 2.273,195 0.763,196 1.475,197 1.475,198 5.605,199 5.605,200 3.921,201 6.161,202 31.715,203 0.97,204 3.31,205 2,206 5.643,207 2384,208 7.738}
{0 CHEMBL100509,1 4.104,2 6.104,3 4.104,5 4.596,6 2.776,7 6.299,9 0.22,10 13.181,11 13.181,12 13.181,13 30.408,14 1.768,15 7.307,16 7.307,17 -0.072,18 5.841,19 3,20 1.719,21 0.716,22 4.475,23 4.475,24 2.309,25 2.309,26 3.484,27 3.484,28 5.484,29 3.484,30 84.844,31 7.348,32 12.891,33 3.604,34 161.945,35 113.818,36 2.309,37 0.43,38 2.535,39 7.446,40 10.498,41 4.001,42 4.001,43 7.001,44 4.001,45 82.19,46 3.068,47 38.861,48 121.874,49 1,50 113.818,51 203.021,52 8.907,53 0.352,54 86.435,55 4.427,56 12.109,57 86.435,58 11.251,59 3,61 3.652,62 1.214,63 6.713,64 3.578,65 0.947,66 2.66,67 2.66,68 3.786,69 6.049,70 3.457,71 5.457,72 3.457,73 21.75,74 29.595,75 4,76 3.588,77 11.749,78 113.818,79 0.506,80 8,81 8.21,82 29.349,83 2.706,84 20.786,85 3.464,86 27.384,87 0.8,88 3.612,89 7.962,90 6.985,91 2.174,92 1.971,93 1.677,94 4.829,95 1.129,96 5.571,97 41.872,98 1.751,99 4.681,100 2.479,101 2.479,102 100.36,103 3.416,104 781.867,105 6.786,106 82.19,107 3.335,108 25.344,109 47.267,110 123.47,111 123.47,112 3.254,113 3,114 309.365,115 746.611,116 2.106,117 9.609,118 1.171,119 3.011,120 4.796,121 6.662,122 5.756,123 48.546,124 2.402,125 2.402,126 1,127 5.581,128 2.182,129 2.182,130 17.437,131 23.387,132 5.609,133 61.044,134 36.306,135 2.22,136 58.179,137 27.384,138 0.519,139 12.332,140 556.2,141 234.709,142 0.817,143 5.565,144 2,145 46.213,146 6.076,147 6.076,148 1.527,149 0.536,150 2,151 0.061,152 3.18,153 0.824,154 35931,155 5.835,156 6.647,157 3.218,158 5.438,159 5.061,160 6.267,161 63,162 4.7,163 4,164 3.334,165 21.206,166 4.012,167 0.121,168 3,169 2.689,170 3.723,171 5.533,172 18.011,173 6.079,174 1.3,175 1.3,176 1.249,177 184,178 -0.076,179 90.083,180 -1.614,181 1.694,182 7.853,183 7.853,184 1.452,185 154.958,186 24,187 8,188 8,189 0.371,190 6.016,191 73.491,192 19.9,193 4.739,194 2.556,195 1.326,196 2,197 2,198 6.993,199 6.993,200 4.019,201 6.424,202 28.311,203 1.072,204 3.625,205 3,206 6.218,207 3750,208 8.12}
{0 CHEMBL100538,1 3.941,2 5.941,3 3.941,5 5.43,6 3.633,7 7.081,8 7,9 0.194,10 10.564,11 10.564,12 10.564,13 29.361,14 2.021,15 6.664,16 6.664,17 -0.046,18 6.531,20 1.335,21 1.938,22 4.118,23 4.118,24 2.341,25 2.341,26 3.141,27 3.141,28 5.141,29 3.141,30 286.724,31 8.02,32 13.603,33 3.574,34 409.315,35 368.22,36 2.727,37 0.456,38 3.134,39 7.479,40 11.166,41 4.474,42 4.474,43 7.474,44 4.474,45 241.09,46 3.604,47 35.939,50 368.22,52 9.571,53 1.89,54 261.381,55 5.14,56 12.791,57 261.381,58 11.956,59 7,61 3.821,62 2.22,63 7.126,64 3.685,65 0.941,66 2.594,67 2.594,68 3.805,69 12.464,70 3.071,71 5.071,72 3.071,73 28.333,74 36.794,76 3.595,77 19.7,78 351.435,79 1.906,80 14,81 15.772,82 40.031,83 3.068,84 17.973,85 3.372,86 106.839,87 1.983,88 3.695,89 8.701,90 6.522,91 2.341,92 1.893,93 1.805,94 7.432,95 0.378,96 5.17,97 88.96,98 1.713,99 4.545,100 2.369,101 2.369,102 278.885,103 3.64,104 960.243,105 7.301,106 241.09,107 3.347,108 28.016,109 57.5,110 152.352,111 152.352,112 3.929,113 1,114 360.071,115 870.332,116 2.492,117 10.323,118 1.04,119 3.525,120 7,121 6.984,122 5.069,123 125.581,124 2.332,125 2.332,127 5.659,128 2.078,129 2.078,130 31.442,131 34.552,132 4.963,133 124.82,134 33.62,135 2.351,136 205.056,137 106.839,138 0.133,139 12.403,140 652.43,141 299.792,142 0.936,143 5.514,144 2.264,145 110.33,146 6.021,147 6.021,148 1.713,149 0.746,150 2.098,152 3.084,153 0.942,154 74510,155 5.037,156 6.789,157 3.416,158 1.138,159 5.093,160 6.164,161 67.785,162 9.6,164 3.457,165 22.52,166 3.925,167 -0.035,168 12,169 7.511,170 3.766,171 6.823,172 189.082,173 6.389,174 1.489,175 1.489,176 1.342,177 278,178 -0.049,179 136.667,180 -6.557,181 1.669,182 6.622,183 6.622,184 1.365,185 499.567,186 14,187 7,188 15,189 0.605,190 5.05,191 86.81,192 21.053,193 7.427,194 3.498,195 1.374,196 2.047,197 2.047,198 6.197,199 6.197,200 4.05,201 6.634,202 27.948,203 1.032,204 3.589,205 7,206 6.003,207 6598,208 5.523}
{0 CHEMBL100548,1 4.102,2 6.102,3 4.102,4 1,5 4.287,6 2.566,7 5.928,8 4,9 0.221,10 13.181,11 13.181,12 13.181,13 30.381,14 1.652,15 7.307,16 7.307,17 -0.099,18 5.457,19 3,20 1.719,21 0.506,22 4.475,23 4.475,24 2.3,25 2.3,26 3.484,27 3.484,28 5.484,29 3.484,30 84.844,31 6.928,32 12.51,33 3.604,34 145.075,35 117.705,36 2.106,37 0.447,38 2.309,39 7.445,40 10.081,41 4.001,42 4.001,43 7.001,44 4.001,45 81.75,46 3.063,47 38.86,48 110.128,49 1,50 117.705,51 182.755,52 8.48,53 0.067,54 75.435,55 4.121,56 11.709,57 75.435,58 10.854,59 3,60 1,61 3.581,62 1.007,63 6.624,64 3.535,65 0.947,66 2.558,67 2.558,68 3.786,69 5.384,70 3.457,71 5.457,72 3.457,73 19.583,74 27.148,75 4,76 3.588,77 10.707,78 117.705,79 0.259,80 7,81 7.283,82 26.53,83 2.623,84 20.786,85 3.464,86 42.27,87 0.708,88 3.608,89 7.563,90 7.109,91 1.768,92 1.971,93 1.595,94 4.777,95 1.108,96 5.535,97 41.498,98 1.751,99 4.523,100 2.478,101 2.478,102 89.325,103 3.414,104 711.852,105 6.706,106 81.75,107 3.181,108 23.066,109 43.2,110 112.367,111 112.367,112 3.053,113 2,114 286.184,115 690.05,116 2,117 9.204,118 1.146,119 2.556,120 4.416,121 6.602,122 5.73,123 38.482,124 2.183,125 2.183,126 1,127 5.485,128 2.063,129 2.063,130 14.522,131 18.374,132 5.565,133 54.537,134 36.304,135 2.176,136 58.225,137 42.27,138 0.519,139 11.634,140 512.81,141 212.049,142 0.808,143 5.565,144 2,145 64.223,146 6.076,147 6.076,148 1.489,149 0.394,150 1.872,151 0.088,152 3.065,153 0.824,154 28965,155 5.796,156 6.564,157 3.133,158 3.573,159 5.061,160 6.267,161 56.873,162 3.8,163 3,164 3.204,165 21.04,166 3.993,167 0.142,168 9,169 5.552,170 3.723,171 5.533,172 36.022,173 5.981,174 1.095,175 1.095,176 1.159,177 160,178 -0.086,179 83.417,180 -1.264,181 1.694,182 7.362,183 7.362,184 1.351,185 135.826,186 22,187 4,188 7,189 0.33,190 5.976,191 69.489,192 19.741,193 4.736,194 2.535,195 1.131,196 2,197 2,198 6.076,199 6.076,200 4.018,201 6.364,202 23.603,203 1.072,204 3.538,205 3,206 6.218,207 2926,208 8.86}
{0 CHEMBL100609,1 3.869,2 5.869,3 3.869,4 1,5 5.25,6 3.476,7 6.867,8 8,9 0.219,10 10.339,11 10.339,12 10.339,13 29.438,14 2,15 6.543,16 6.543,17 -0.028,18 6.402,20 1.343,21 1.928,22 4.089,23 4.089,24 2.341,25 2.341,26 3.139,27 3.139,28 5.139,29 3.139,30 238.426,31 7.837,32 13.243,33 3.688,34 419.328,35 398.445,36 3.128,37 0.471,38 3.168,39 7.476,40 10.882,41 4.474,42 4.474,43 7.474,44 4.474,45 272.17,46 3.6,47 35.857,50 398.445,52 9.337,53 1.656,54 240.698,55 5.065,56 12.462,57 240.698,58 11.633,59 7,60 1,61 3.817,62 2.586,63 7.22,64 3.728,65 1.044,66 2.844,67 2.844,68 3.895,69 16.247,70 3.048,71 5.048,72 3.048,73 33.917,74 44.528,76 3.701,77 23.632,78 381.659,79 1.9,80 17,81 18.739,82 48.369,83 3.099,84 17.14,85 3.703,86 157.747,87 1.967,88 3.78,89 8.453,90 6.344,91 2.189,92 1.983,93 1.891,94 7.43,95 0.539,96 5.163,97 91.671,98 1.794,99 4.889,100 2.71,101 2.71,102 301.104,103 3.655,104 1153.14,105 7.335,106 272.17,107 3.554,108 34.541,109 69.767,110 185.919,111 185.919,112 3.92,113 1,114 438.219,115 1061.01,116 3.029,117 10.037,118 1.094,119 3.555,120 7.55,121 7.071,122 5.182,123 128.614,124 2.556,125 2.556,126 2,127 5.797,128 2.363,129 2.363,130 32.536,131 41.346,132 5.094,133 143.194,134 33.565,135 2.543,136 198.828,137 157.747,138 0.095,139 14.647,140 790.44,141 388.317,142 0.916,143 5.513,144 2.727,145 158.275,146 6.615,147 6.615,148 1.756,149 0.989,150 2.329,151 -0.902,152 3.366,153 0.921,154 128985,155 5.187,156 6.932,157 3.493,159 5.262,160 6.216,161 78.627,162 8.7,164 3.697,165 22.599,166 4.044,167 0.031,168 10,169 15.595,170 3.854,171 6.823,172 200.431,173 6.57,174 1.546,175 1.546,176 1.653,177 377,178 -0.034,179 158.25,180 -6.396,181 1.745,182 8.384,183 8.384,184 1.376,185 483.575,186 14,187 7,188 18,189 0.508,190 5.236,191 95.55,192 21.149,193 7.429,194 3.519,195 1.737,196 2.29,197 2.29,198 7.919,199 7.919,200 4.051,201 6.794,202 41.052,203 0.996,204 3.823,205 7,206 6.153,207 13253,208 5.42}
{0 CHEMBL100618,1 4.099,2 6.099,3 4.099,4 1,5 4.291,6 2.595,7 5.929,8 4,9 0.204,10 11.851,11 11.851,12 11.851,13 29.577,14 1.652,15 6.992,16 6.992,17 -0.102,18 5.458,20 1.324,21 0.708,22 4.279,23 4.279,24 2.3,25 2.3,26 3.316,27 3.316,28 5.316,29 3.316,30 84.844,31 6.929,32 12.51,33 3.603,34 152.664,35 120.829,36 2.085,37 0.495,38 2.227,39 7.445,40 10.081,41 3.997,42 3.997,43 6.997,44 3.997,45 84.99,46 2.998,47 37.132,48 110.055,49 1,50 120.829,51 183.231,52 8.48,53 0.259,54 75.435,55 4.129,56 11.709,57 75.435,58 10.854,59 3,60 1,61 3.543,62 1.058,63 6.594,64 3.535,65 0.781,66 2.402,67 2.402,68 3.773,69 7.167,70 3.19,71 5.19,72 3.19,73 20.333,74 26.405,75 2,76 3.587,77 12.488,78 120.829,79 0.506,80 8,81 9.662,82 27.854,83 2.659,84 19.401,85 3.209,86 45.394,87 0.8,88 3.58,89 7.563,90 6.671,91 1.768,92 1.957,93 1.689,94 4.775,95 1.447,96 5.345,97 40.557,98 1.728,99 3.759,100 2.212,101 2.212,102 111.297,103 3.079,104 718.256,105 6.553,106 84.99,107 3.16,108 22.246,109 41.2,110 110.06,111 110.06,112 3.098,113 2,114 276.789,115 667.126,116 1.874,117 9.204,118 1.056,119 2.406,120 4.743,121 6.524,122 5.069,123 39.359,124 2.161,125 2.161,126 1,127 5.414,128 1.968,129 1.968,130 16.122,131 24.218,132 5.024,133 73.106,134 34.679,135 2.156,136 58.182,137 45.394,138 0.118,139 9.319,140 491.69,141 193.318,142 0.768,143 5.487,144 1.697,145 51.551,146 5.131,147 5.131,148 1.528,149 0.442,150 1.488,152 2.954,153 0.768,154 24475,155 5.142,156 6.498,157 3.128,158 5.234,159 4.654,160 6.23,161 53.771,162 4,163 3,164 3.187,165 21.12,166 3.993,167 0.087,168 4,169 5.459,170 3.714,171 5.533,172 36.022,173 5.915,174 0.946,175 0.946,176 1.092,177 147,178 -0.094,179 81.667,180 -1.439,181 1.668,182 5.481,183 5.481,184 1.598,185 130.974,186 12,187 4,188 8,189 0.424,190 5.176,191 59.026,192 19.81,193 4.733,194 2.372,195 1.094,196 1.591,197 1.591,198 5.186,199 5.186,200 3.906,201 6.259,202 30.12,203 1.089,204 3.364,205 3,206 5.98,207 2624,208 8.59}
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{0 CHEMBL101125,1 4.109,2 6.109,3 4.109,4 1,5 4.287,6 2.566,7 5.928,8 4,9 0.216,10 12.219,11 12.219,12 12.219,13 29.739,14 1.652,15 7.085,16 7.085,17 -0.124,18 5.457,20 1.318,21 0.506,22 4.321,23 4.321,24 2.3,25 2.3,26 3.361,27 3.361,28 5.361,29 3.361,30 84.844,31 6.928,32 12.51,33 3.607,34 141.711,35 117.705,36 1.994,37 0.52,38 2.235,39 7.445,40 10.081,41 4.092,42 4.092,43 7.092,44 4.092,45 81.75,46 2.815,47 37.595,48 100.805,49 1,50 117.705,51 167.242,52 8.48,53 0.067,54 75.435,55 4.121,56 11.709,57 75.435,58 10.854,59 3,60 1,61 3.571,62 0.948,63 6.554,64 3.536,65 0.469,66 2.294,67 2.294,68 3.779,69 5.733,70 3.223,71 5.223,72 3.223,73 18.5,74 25.449,75 1,76 3.591,77 11.041,78 117.705,79 0.259,80 7,81 7.863,82 24.927,83 2.766,84 19.896,85 3.126,86 42.27,87 0.708,88 3.692,89 7.563,90 6.887,91 1.768,92 1.913,93 1.546,94 4.937,95 0.637,96 5.382,97 40.521,98 1.741,99 3.667,100 2.146,101 2.146,102 89.53,103 3.176,104 624.826,105 6.459,106 81.75,107 3.064,108 20.328,109 37.186,110 99.641,111 99.641,112 3.053,113 2,114 252.56,115 608.007,116 1.849,117 9.204,118 0.929,119 2.542,120 3.873,121 6.522,122 5.313,123 32.697,124 2.088,125 2.088,126 1,127 5.194,128 2.016,129 2.016,130 14.522,131 18.775,132 5.198,133 58.739,134 35.111,135 2.041,136 63.602,137 42.27,138 0.087,139 7.766,140 447.42,141 184.037,142 0.877,143 5.536,144 1.523,145 46.91,146 5.143,147 5.143,148 1.308,149 0.317,150 1.519,152 2.962,153 0.893,154 24570,155 5.384,156 6.406,157 3.069,158 3.016,159 4.668,160 6.279,161 40,162 4.8,163 3,164 3.195,165 21.34,166 3.993,167 0.118,168 4,169 5.296,170 3.722,171 5.533,172 36.022,173 5.863,174 1,175 1,176 0.887,177 133,178 -0.121,179 83.111,180 -1.718,181 1.685,182 5.816,183 5.816,184 1.331,185 117.739,186 15,187 4,188 8,189 0.382,190 5.451,191 52.166,192 20.021,193 4.773,194 2.534,195 0.912,196 1.448,197 1.448,198 5.401,199 5.401,200 3.939,201 6.193,202 26.786,203 1.101,204 3.262,205 3,206 5.486,207 2233,208 6.02}
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{0 CHEMBL101456,1 4.104,2 6.104,3 4.104,4 1,5 4.287,6 2.566,7 5.928,8 4,9 0.199,10 13.214,11 13.214,12 13.214,13 30.839,14 1.652,15 7.317,16 7.317,17 -0.071,18 5.457,19 6,20 1.72,21 0.506,22 4.488,23 4.488,24 2.3,25 2.3,26 3.501,27 3.501,28 5.501,29 3.501,30 84.844,31 6.928,32 12.51,33 3.82,34 139.271,35 117.705,36 2.535,37 0.416,38 2.536,39 7.445,40 10.081,41 4.005,42 4.005,43 7.005,44 4.005,45 81.75,46 3.386,47 39.46,48 121.948,49 1,50 117.705,51 202.545,52 8.48,53 0.067,54 75.435,55 4.121,56 11.709,57 75.435,58 10.854,59 3,60 1,61 3.603,62 1.021,63 6.723,64 3.542,65 0.947,66 2.664,67 2.664,68 3.932,69 5.061,70 3.465,71 5.465,72 3.465,73 21,74 30.338,75 6,76 3.817,77 10.672,78 117.705,79 0.259,80 7,81 6.766,82 28.528,83 2.607,84 20.834,85 3.539,86 42.27,87 0.708,88 3.831,89 7.563,90 7.119,91 1.768,92 1.996,93 1.595,94 4.779,95 2.023,96 5.549,97 42.979,98 1.887,99 5.061,100 2.558,101 2.558,102 91.924,103 3.45,104 777.501,105 6.906,106 81.75,107 3.529,108 26.256,109 49.2,110 125.949,111 125.949,112 3.053,113 2,114 321.558,115 776.362,116 2.152,117 9.204,118 1.22,119 3.049,120 4.472,121 6.743,122 6.142,123 38.742,124 2.53,125 2.53,126 1,127 5.657,128 2.421,129 2.421,130 14.522,131 14.971,132 5.945,133 53.14,134 36.894,135 2.499,136 53.939,137 42.27,138 0.703,139 14.675,140 579.53,141 254.18,142 0.682,143 5.586,144 2,145 76.896,146 7.362,147 7.362,148 1.489,149 0.423,150 2,151 0.18,152 3.402,153 0.689,154 40952,155 6.223,156 6.702,157 3.23,158 3.848,159 5.48,160 6.953,161 66.95,162 3.3,163 3,164 3.493,165 21.134,166 3.993,167 0.16,168 14,169 5.749,170 3.897,171 5.533,172 36.022,173 6.113,174 1.57,175 1.57,176 1.342,177 198,178 -0.073,179 90.833,180 -1.109,181 1.856,182 7.892,183 7.892,184 1.263,185 145.632,186 28,187 4,188 7,189 0.274,190 6.454,191 84.908,192 19.838,193 4.737,194 2.57,195 1.363,196 2.064,197 2.064,198 7.811,199 7.811,200 4.046,201 6.522,202 23.603,203 1.053,204 3.635,205 3,206 6.266,207 4136,208 7.46}
{0 CHEMBL101528,1 3.92,2 5.92,3 3.92,4 1,5 3.686,6 2.2,7 5.137,8 2,9 0.176,10 11.598,11 11.598,12 11.598,13 29.374,14 1.058,15 6.908,16 6.908,17 -0.07,18 4.769,20 1.295,21 0.757,22 4.227,23 4.227,24 2.062,25 2.062,26 3.27,27 3.27,28 5.27,29 3.27,30 57.322,31 6.045,32 10.883,33 3.477,34 101.091,35 112.47,36 1.971,37 0.517,38 2.137,39 7.434,40 8.781,41 4.075,42 4.075,43 7.075,44 4.075,45 80.28,46 2.738,47 36.824,48 94.19,49 1,50 112.47,51 157.493,52 7.393,53 0.24,54 50.29,55 3.64,56 10.193,57 50.29,58 9.445,59 3,60 1,61 3.535,62 0.753,63 6.36,64 3.332,65 0.647,66 2.351,67 2.351,68 3.698,69 5.439,70 3.128,71 5.128,72 3.128,73 17.167,74 23.372,76 3.485,77 10.471,78 112.47,79 0.474,80 8,81 7.435,82 23.432,83 2.344,84 19.211,85 3.166,86 62.18,87 0.8,88 3.575,89 6.576,90 6.666,91 1.653,92 1.893,93 1.538,94 4.752,95 0.589,96 5.294,97 26.401,98 1.644,99 3.567,100 2.194,101 2.194,102 64.824,103 2.886,104 603.716,105 6.264,106 80.28,107 2.853,108 19.544,109 36.633,110 97.848,111 97.848,112 2.848,113 2,114 243.417,115 585.698,116 1.625,117 8.01,118 0.993,119 2.695,120 3.464,121 6.321,122 5.17,123 33.324,124 1.904,125 1.904,126 1,127 5.237,128 1.726,129 1.726,130 14.243,131 16.965,132 5.03,133 53.868,134 34.393,135 1.812,136 52.037,137 62.18,138 0.087,139 8.02,140 429.64,141 171.787,142 0.902,143 5.537,144 1.33,145 52.209,146 4.743,147 4.743,148 1.429,149 0.44,150 1.24,152 2.708,153 0.902,154 20063,155 5.252,156 6.239,157 3.024,158 6.244,159 4.581,160 5.951,161 43.871,162 3.1,163 2,164 3.003,165 21.276,166 3.584,167 0.03,168 3,169 5.641,170 3.648,171 5.46,172 36.022,173 5.823,174 0.713,175 0.713,176 1,177 127,178 -0.039,179 72,180 0.071,181 1.581,182 5.976,183 5.976,184 1.604,185 92.086,186 12,187 4,188 8,189 0.396,190 5.323,191 44.375,192 19.941,193 4.494,194 2.248,195 0.801,196 1.475,197 1.475,198 5.474,199 5.474,200 3.917,201 6.108,202 30.502,203 0.966,204 3.29,205 2,206 5.58,207 1961,208 8.009}
{0 CHEMBL101752,1 3.855,2 5.855,3 3.855,4 1,5 4.543,6 2.774,7 6.208,8 3,9 0.209,10 9.796,11 9.796,12 9.796,13 28.659,14 1.653,15 6.425,16 6.425,17 0.033,18 5.659,19 1,20 1.419,21 0.602,22 4.021,23 4.021,24 2.341,25 2.341,26 3.026,27 3.026,28 5.026,29 3.026,30 154.011,31 7.159,32 12.842,33 3.559,34 162.911,35 182.409,36 2.084,37 0.453,38 2.147,39 7.475,40 10.364,41 3.716,42 3.716,43 6.716,44 3.716,45 115.81,46 2.736,47 34.783,50 182.409,52 8.739,53 0.036,54 143.263,55 4.304,56 12.017,57 143.263,58 11.171,59 4,60 1,61 3.715,62 1.047,63 6.387,64 3.593,65 0.614,66 2.223,67 2.223,68 3.759,69 7.243,70 3.034,71 5.034,72 3.034,73 17.833,74 23.794,75 1,76 3.561,77 11.735,78 182.409,79 0.254,80 8,81 8.757,82 24.626,83 2.708,84 16.67,85 3.187,86 39.146,87 1.277,88 3.6,89 7.857,90 6.227,91 1.988,92 1.89,93 1.506,94 7.423,95 0.593,96 5.068,97 49.36,98 1.683,99 3.478,100 2.184,101 2.184,102 107.542,103 3.528,104 621.07,105 6.194,106 115.81,107 2.914,108 18.621,109 36.833,110 95.818,111 95.818,112 3.213,113 1,114 239.489,115 576.113,116 1.837,117 9.51,118 1.065,119 2.516,120 4.637,121 6.316,122 4.533,123 59.523,124 1.942,125 1.942,126 1,127 5.114,128 1.712,129 1.712,130 16.301,131 18.842,132 4.5,133 64.114,134 32.528,135 1.879,136 93.197,137 39.146,139 8.045,140 432.73,141 177.084,142 0.9,143 5.245,144 1.323,145 53.495,146 4.608,147 4.608,148 1.407,149 0.404,150 1.24,152 2.714,153 0.9,154 25727,155 4.575,156 6.294,157 2.998,158 1.605,159 4.527,160 5.595,161 39.532,162 8.1,164 3.048,165 20.344,166 3.925,167 -0.046,168 4,169 5.312,170 3.711,172 78.705,173 5.913,174 0.671,175 0.671,176 0.872,177 151,178 0.015,179 84.333,180 -1.874,181 1.637,182 5.672,183 5.672,184 1.313,185 130.756,186 11,187 3,188 8,189 0.466,190 4.644,191 37.079,192 19.145,193 6.351,194 2.224,195 0.843,196 1.482,197 1.482,198 5.079,199 5.079,200 3.901,201 6.16,202 26.752,203 0.927,204 3.221,205 4,206 5.363,207 2237,208 5.699}
{0 CHEMBL101803,1 3.853,2 5.853,3 3.853,4 1,5 3.523,6 2.029,7 4.918,8 2,9 0.196,10 9.795,11 9.795,12 9.795,13 28.655,14 1.277,15 6.425,16 6.425,17 -0.01,18 4.667,19 1,20 1.42,21 0.254,22 4.02,23 4.02,24 1.988,25 1.988,26 3.025,27 3.025,28 5.025,29 3.025,30 85.273,31 5.84,32 10.353,33 3.589,34 130.157,35 114.581,36 1.839,37 0.506,38 2.101,39 7.435,40 8.385,41 3.716,42 3.716,43 6.716,44 3.716,45 78.51,46 2.519,47 34.781,50 114.581,52 7.089,54 75.435,55 3.62,56 9.71,57 75.435,58 8.995,59 3,60 1,61 3.715,62 0.847,63 6.314,64 3.528,65 0.616,66 2.206,67 2.206,68 3.78,69 6.925,70 3.034,71 5.034,72 3.034,73 17,74 22.924,75 1,76 3.578,77 11.824,78 114.581,79 0.036,80 6,81 8.869,82 24.002,83 2.042,84 16.666,85 2.967,86 39.146,87 0.602,88 3.589,89 6.284,90 6.286,91 1.653,92 1.96,93 1.523,94 4.763,95 0.669,96 5.067,97 38.462,98 1.727,99 3.414,100 1.995,101 1.995,102 90.053,103 2.736,104 622.547,105 6.055,106 78.51,107 2.743,108 18.973,109 35.8,110 93.268,111 93.268,112 2.791,113 1,114 244.016,115 587.159,116 1.418,117 7.64,118 1.019,119 2.229,120 4.416,121 6.124,122 4.5,123 31.386,124 1.742,125 1.742,126 1,127 5.15,128 1.533,129 1.533,130 11.62,131 16.837,132 4.454,133 61.175,134 32.526,135 1.733,136 57.551,137 39.146,139 8.587,140 435.09,141 170.345,142 0.889,143 5.245,144 1.323,145 56.03,146 3.357,147 3.357,148 1.41,149 0.31,150 1.24,152 2.546,153 0.889,154 21804,155 4.533,156 6.249,157 3.022,158 1.794,159 3.952,160 5.595,161 41.501,162 4.6,164 2.828,165 20.339,166 3.466,167 -0.026,168 2,169 5.691,170 3.719,172 36.022,173 5.783,174 0.617,175 0.617,176 0.914,177 147,178 0.022,179 73.167,180 -0.293,181 1.668,182 5.626,183 5.626,184 1.348,185 79.007,186 9,187 3,188 6,189 0.342,190 4.585,191 38.702,192 19.139,193 4.723,194 2.149,195 0.698,196 1.377,197 1.377,198 4.662,199 4.662,200 3.902,201 6.095,202 23.61,203 0.909,204 3.204,205 3,206 5.36,207 2002,208 5.319}
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{0 CHEMBL120015,1 4.121,2 6.121,3 4.121,4 1,5 4.291,6 2.595,7 5.929,8 4,9 0.183,10 12.745,11 12.745,12 12.745,13 30.22,14 1.652,15 7.214,16 7.214,17 -0.04,18 5.458,19 4,20 1.71,21 0.708,22 4.398,23 4.398,24 2.3,25 2.3,26 3.434,27 3.434,28 5.434,29 3.434,30 84.844,31 6.929,32 12.51,33 3.759,34 154.452,35 120.829,36 2.344,37 0.469,38 2.406,39 7.445,40 10.081,41 4.06,42 4.06,43 7.06,44 4.06,45 84.99,46 3.022,47 38.343,48 114.047,49 1,50 120.829,51 191.966,52 8.48,53 0.259,54 75.435,55 4.129,56 11.709,57 75.435,58 10.854,59 3,60 1,61 3.618,62 0.92,63 6.737,64 3.541,65 0.939,66 2.695,67 2.695,68 3.854,69 4.973,70 3.31,71 5.31,72 3.31,73 20.667,74 28.957,75 4,76 3.752,77 10.961,78 120.829,79 0.506,80 8,81 7.134,82 27.334,83 2.716,84 20.572,85 3.368,86 45.394,87 0.8,88 3.75,89 7.563,90 7.016,91 1.768,92 1.953,93 1.684,94 4.812,95 0.855,96 5.464,97 42.525,98 1.829,99 4.805,100 2.405,101 2.405,102 88.576,103 3.244,104 712.943,105 6.704,106 84.99,107 3.285,108 24.072,109 44.8,110 115.911,111 115.911,112 3.098,113 2,114 295.988,115 713.97,116 2,117 9.204,118 1.054,119 2.998,120 3.937,121 6.716,122 5.966,123 38.158,124 2.297,125 2.297,126 1,127 5.524,128 2.02,129 2.02,130 16.122,131 19.401,132 5.796,133 55.666,134 35.825,135 2.262,136 62.046,137 45.394,138 0.424,139 10.824,140 527.23,141 232.992,142 0.852,143 5.607,144 2,145 54.943,146 6.298,147 6.298,148 1.489,149 0.381,150 1.855,152 3.02,153 0.864,154 36420,155 6.109,156 6.605,157 3.151,158 5.446,159 5.242,160 6.303,161 56.515,162 3.8,163 3,164 3.333,165 21.385,166 3.993,167 0.116,168 9,169 5.646,170 3.822,171 5.533,172 36.022,173 6.036,174 1.32,175 1.32,176 1.181,177 176,178 -0.065,179 90.833,180 -1.427,181 1.799,182 7.31,183 7.31,184 1.34,185 158.862,186 16,187 4,188 8,189 0.336,190 6.306,191 62.618,192 20.078,193 4.759,194 2.594,195 1.148,196 2,197 2,198 6.974,199 6.974,200 4.019,201 6.394,202 33.282,203 1.028,204 3.673,205 3,206 6.194,207 3624,208 8.63}
{0 CHEMBL120021,1 4.111,2 6.111,3 4.111,4 1,5 4.291,6 2.595,7 5.929,8 4,9 0.18,10 13.186,11 13.186,12 13.186,13 30.5,14 1.652,15 7.309,16 7.309,17 -0.049,18 5.458,19 3,20 1.719,21 0.708,22 4.476,23 4.476,24 2.3,25 2.3,26 3.487,27 3.487,28 5.487,29 3.487,30 84.844,31 6.929,32 12.51,33 3.763,34 148.29,35 120.829,36 2.406,37 0.466,38 2.514,39 7.445,40 10.081,41 4.05,42 4.05,43 7.05,44 4.05,45 84.99,46 3.102,47 38.956,48 120.64,49 1,50 120.829,51 201.904,52 8.48,53 0.259,54 75.435,55 4.129,56 11.709,57 75.435,58 10.854,59 3,60 1,61 3.6,62 0.931,63 6.717,64 3.541,65 0.947,66 2.699,67 2.699,68 3.86,69 5.393,70 3.457,71 5.457,72 3.457,73 21.25,74 29.717,75 3,76 3.757,77 11.205,78 120.829,79 0.506,80 8,81 7.368,82 28.275,83 2.724,84 20.865,85 3.512,86 45.394,87 0.8,88 3.757,89 7.563,90 7.111,91 1.768,92 1.958,93 1.689,94 4.812,95 0.946,96 5.542,97 42.39,98 1.835,99 4.807,100 2.515,101 2.515,102 91.132,103 3.421,104 741.126,105 6.744,106 84.99,107 3.364,108 24.831,109 46.1,110 119.299,111 119.299,112 3.098,113 2,114 305.58,115 737.375,116 2,117 9.204,118 1.138,119 2.999,120 4.301,121 6.693,122 5.869,123 39.753,124 2.402,125 2.402,126 1,127 5.535,128 2.146,129 2.146,130 16.122,131 19.764,132 5.707,133 57.634,134 36.403,135 2.298,136 58.528,137 45.394,138 0.424,139 11.213,140 544.53,141 241.06,142 0.84,143 5.594,144 2,145 59.583,146 6.35,147 6.35,148 1.489,149 0.404,150 1.998,151 0.044,152 3.135,153 0.851,154 39093,155 5.966,156 6.63,157 3.224,158 5.351,159 5.313,160 6.42,161 57.866,162 3.7,163 3,164 3.482,165 21.397,166 3.993,167 0.137,168 10,169 5.627,170 3.827,171 5.533,172 36.022,173 6.059,174 1.32,175 1.32,176 1.22,177 187,178 -0.076,179 92.417,180 -1.464,181 1.805,182 7.878,183 7.878,184 1.345,185 157.262,186 18,187 4,188 8,189 0.329,190 6.157,191 65.698,192 20.095,193 4.759,194 2.605,195 1.234,196 2,197 2,198 7,199 7,200 4.023,201 6.421,202 31.701,203 1.049,204 3.678,205 3,206 6.264,207 3915,208 8.95}
{0 CHEMBL120031,1 4.111,2 6.111,3 4.111,4 1,5 4.287,6 2.566,7 5.928,8 4,9 0.229,10 13.186,11 13.186,12 13.186,13 30.48,14 1.652,15 7.309,16 7.309,17 -0.093,18 5.457,19 3,20 1.719,21 0.506,22 4.476,23 4.476,24 2.3,25 2.3,26 3.487,27 3.487,28 5.487,29 3.487,30 84.844,31 6.928,32 12.51,33 3.763,34 143.943,35 117.705,36 2.142,37 0.457,38 2.514,39 7.445,40 10.081,41 4.05,42 4.05,43 7.05,44 4.05,45 81.75,46 3.101,47 38.955,48 112.69,49 1,50 117.705,51 188.228,52 8.48,53 0.067,54 75.435,55 4.121,56 11.709,57 75.435,58 10.854,59 3,60 1,61 3.6,62 0.911,63 6.668,64 3.541,65 0.947,66 2.639,67 2.639,68 3.86,69 4.98,70 3.457,71 5.457,72 3.457,73 19.917,74 28.139,75 3,76 3.757,77 10.42,78 117.705,79 0.259,80 7,81 6.718,82 26.433,83 2.707,84 20.865,85 3.512,86 42.27,87 0.708,88 3.757,89 7.563,90 7.111,91 1.768,92 1.958,93 1.604,94 4.81,95 0.841,96 5.539,97 42.069,98 1.835,99 4.635,100 2.515,101 2.515,102 85.344,103 3.421,104 695.149,105 6.671,106 81.75,107 3.221,108 23.384,109 43.4,110 110.697,111 110.697,112 3.053,113 2,114 289.193,115 697.392,116 2,117 9.204,118 1.131,119 2.734,120 3.937,121 6.646,122 5.858,123 37.133,124 2.229,125 2.229,126 1,127 5.453,128 2.135,129 2.135,130 14.522,131 16.779,132 5.673,133 53.667,134 36.401,135 2.196,136 58.173,137 42.27,138 0.424,139 10.84,140 516.23,141 225.755,142 0.853,143 5.594,144 2,145 59.583,146 6.076,147 6.076,148 1.489,149 0.344,150 1.998,151 0.052,152 3.127,153 0.866,154 34089,155 5.945,156 6.578,157 3.132,158 3.408,159 5.061,160 6.42,161 52.812,162 3.9,163 3,164 3.481,165 21.35,166 3.993,167 0.162,168 10,169 5.584,170 3.827,171 5.533,172 36.022,173 6.009,174 1.289,175 1.289,176 1.116,177 171,178 -0.083,179 88.417,180 -1.437,181 1.805,182 7.668,183 7.668,184 1.24,185 137.215,186 22,187 4,188 7,189 0.309,190 6.136,191 61.92,192 20.05,193 4.752,194 2.605,195 1.144,196 2,197 2,198 6.395,199 6.395,200 4.023,201 6.378,202 27.61,203 1.04,204 3.628,205 3,206 6.264,207 3305,208 8.81}
{0 CHEMBL120150,1 5.061,2 7.061,3 5.061,5 5.2,6 3.381,7 7.014,8 5,9 0.248,10 10.569,11 10.569,12 10.569,13 29.576,14 2.019,15 6.664,16 6.664,17 -0.048,18 8.061,20 1.335,21 1.934,22 4.124,23 4.124,24 3.339,25 3.339,26 3.158,27 3.158,28 5.158,29 3.158,30 262.299,31 10.363,32 16.192,33 3.694,34 394.541,35 383.801,36 2.727,37 0.444,38 3.134,39 7.763,40 15.112,41 4.474,42 4.474,43 7.474,44 4.474,45 258.16,46 3.621,47 36.21,50 383.801,52 12.726,53 1.73,54 276.962,55 5.92,56 17.507,57 276.962,58 13.71,59 8,61 3.94,62 2.172,63 7.058,64 3.82,65 0.939,66 2.716,67 2.716,68 3.871,69 12.623,70 3.072,71 5.072,72 3.072,73 28.75,74 37.259,76 3.699,77 18.757,78 367.016,79 1.901,80 15,81 15.123,82 40.314,83 5.656,84 17.98,85 3.567,86 106.839,87 1.981,88 3.792,89 9.034,90 6.523,91 2.341,92 1.873,93 1.809,94 7.432,95 0.386,96 5.183,97 100.358,98 1.739,99 4.653,100 2.572,101 2.572,102 282.076,103 3.677,104 948.541,105 7.267,106 266.54,107 3.367,108 28.442,109 57.933,110 158.496,111 158.496,112 4.15,113 2,114 358.94,115 867.575,116 2.493,117 11.294,118 1.037,119 3.525,120 7.141,121 7.005,122 5.081,123 178.751,124 2.365,125 2.365,127 5.643,128 2.114,129 2.114,130 33.087,131 35.889,132 4.977,133 124.825,134 33.892,135 2.365,136 235.692,137 106.839,138 0.133,139 12.055,140 647.77,141 299.377,142 0.938,143 5.623,144 2.266,145 106.161,146 6.069,147 6.069,148 1.713,149 1.009,150 2.098,152 3.128,153 0.941,154 76548,155 5.05,156 6.902,157 3.417,158 1.037,159 5.189,160 6.446,161 67.371,162 10.9,163 2,164 3.497,165 23.128,166 6.643,167 -0.03,168 10,169 7.158,170 3.858,171 6.823,172 185.494,173 6.528,174 1.488,175 1.488,176 1.342,177 276,178 -0.006,179 141.417,180 -6.148,181 1.743,182 8.069,183 8.069,184 1.396,185 475.587,186 14,187 6,188 17,189 0.636,190 5.075,191 91.672,192 21.651,193 7.427,194 3.491,195 1.584,196 2.053,197 2.053,198 6.621,199 6.621,200 4.051,201 6.655,202 26.918,203 0.942,204 3.71,205 8,206 6.163,207 6514,208 9.268}
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{0 CHEMBL121267,1 4.119,2 6.119,3 4.119,4 1,5 4.287,6 2.566,7 5.928,8 4,9 0.198,10 12.552,11 12.552,12 12.552,13 30.044,14 1.652,15 7.169,16 7.169,17 -0.068,18 5.457,19 2,20 1.414,21 0.506,22 4.37,23 4.37,24 2.3,25 2.3,26 3.409,27 3.409,28 5.409,29 3.409,30 84.844,31 6.928,32 12.51,33 3.754,34 146.849,35 117.705,36 2.14,37 0.481,38 2.313,39 7.445,40 10.081,41 4.058,42 4.058,43 7.058,44 4.058,45 81.75,46 2.963,47 38.071,48 100.762,49 1,50 117.705,51 169.428,52 8.48,53 0.067,54 75.435,55 4.121,56 11.709,57 75.435,58 10.854,59 3,60 1,61 3.607,62 0.878,63 6.607,64 3.541,65 0.777,66 2.631,67 2.631,68 3.849,69 4.544,70 3.274,71 5.274,72 3.274,73 18.167,74 26.018,75 2,76 3.747,77 9.939,78 117.705,79 0.259,80 7,81 6.493,82 24.172,83 2.731,84 20.344,85 3.204,86 42.27,87 0.708,88 3.74,89 7.563,90 6.97,91 1.768,92 1.929,93 1.685,94 4.946,95 0.25,96 5.435,97 41.372,98 1.745,99 4.419,100 2.239,101 2.239,102 80.073,103 3.195,104 612.673,105 6.467,106 81.75,107 3.141,108 20.896,109 38.586,110 101.982,111 101.982,112 3.053,113 2,114 256.958,115 618.738,116 1.854,117 9.204,118 0.984,119 2.936,120 3.391,121 6.584,122 5.652,123 33.472,124 2.165,125 2.165,126 1,127 5.242,128 1.839,129 1.839,130 14.522,131 15.638,132 5.464,133 50.452,134 35.566,135 2.079,136 69.496,137 42.27,138 0.2,139 8.947,140 457.3,141 197.204,142 0.943,143 5.599,144 1.773,145 52.408,146 5.638,147 5.638,148 1.398,149 0.294,150 1.619,152 2.83,153 0.958,154 28452,155 5.79,156 6.438,157 3.041,158 3.342,159 5.007,160 6.287,161 39.42,162 4.7,163 3,164 3.183,165 21.322,166 3.993,167 0.201,168 7,169 5.386,170 3.816,171 7.545,172 36.022,173 5.913,174 1.185,175 1.185,176 0.925,177 142,178 -0.067,179 84.778,180 -1.564,181 1.699,182 6.599,183 6.599,184 1.246,185 131.532,186 13,187 4,188 8,189 0.346,190 5.914,191 49.047,192 20.017,193 4.801,194 2.562,195 0.939,196 1.78,197 1.78,198 5.96,199 5.96,200 3.98,201 6.247,202 28.367,203 1.011,204 3.601,205 3,206 6.057,207 2554,208 8.76}
{0 CHEMBL121331,1 4.329,2 6.329,3 4.329,4 1,5 4.287,6 2.566,7 5.928,8 4,9 0.158,10 12.322,11 12.322,12 12.322,13 29.851,14 1.768,15 7.113,16 7.113,17 -0.072,18 7.348,19 1,20 1.373,21 0.708,22 4.33,23 4.33,24 2.95,25 2.95,26 3.371,27 3.371,28 5.371,29 3.371,30 84.844,31 9.433,32 12.51,33 3.755,34 184.533,35 132.665,36 2.292,37 0.503,38 2.545,39 8.201,40 13.702,41 4.088,42 4.088,43 7.088,44 4.088,45 81.75,46 3.195,47 37.735,48 112.845,49 1,50 117.705,51 188.242,52 11.558,53 0.259,54 75.435,55 5.362,56 15.854,57 90.395,58 10.854,59 3,60 1,61 4.111,62 1.098,63 6.71,64 3.591,65 0.789,66 2.538,67 2.538,68 3.864,69 6.036,70 3.23,71 5.23,72 3.23,73 19.833,74 26.838,75 1,76 3.748,77 12.335,78 132.665,79 0.506,80 8,81 8.662,82 27.388,83 2.885,84 20.076,85 3.325,86 42.27,87 1.652,88 3.734,89 7.563,90 6.797,91 2.3,92 1.921,93 1.751,94 7.412,95 0.411,96 5.397,97 41.14,98 1.724,99 4.045,100 2.362,101 2.362,102 105.122,103 3.534,104 677.314,105 6.652,106 107.05,107 3.222,108 22.547,109 41.881,110 115.508,111 115.508,112 3.653,113 2,114 277.94,115 669.934,116 2.252,117 9.204,118 0.928,119 2.95,120 3.742,121 6.63,122 5.421,123 36.156,124 2.268,125 2.268,126 1,127 5.336,128 1.861,129 1.861,130 20.422,131 18.349,132 5.283,133 60.805,134 35.244,135 2.151,136 75.155,137 57.23,138 0.071,139 9.801,140 496.33,141 213.085,142 0.922,143 5.586,144 1.911,145 57.048,146 5.177,147 5.177,148 1.49,149 0.339,150 1.797,152 2.813,153 0.933,154 33391,155 5.541,156 6.52,157 3.133,158 2.781,159 4.804,160 6.266,161 47.591,162 4.3,163 3,164 3.229,165 21.517,166 5.9,167 0.069,168 7,169 5.32,170 3.831,171 6.653,172 36.022,173 5.98,174 1.209,175 1.209,176 1.086,177 161,178 -0.074,179 92.5,180 -1.971,181 1.673,182 6.975,183 6.975,184 1.153,185 185.942,186 14,187 4,188 9,189 0.475,190 5.645,191 53.302,192 20.194,193 4.771,194 2.642,195 0.887,196 1.616,197 1.616,198 6.379,199 6.379,200 3.941,201 6.324,202 27.469,203 0.968,204 3.534,205 3,206 5.772,207 3145,208 9.12}
{0 CHEMBL121624,1 4.329,2 6.329,3 4.329,4 1,5 4.287,6 2.566,7 5.928,8 4,9 0.217,10 13.026,11 13.026,12 13.026,13 30.458,14 1.768,15 7.273,16 7.273,17 0.021,18 7.348,19 3,20 1.724,21 0.708,22 4.449,23 4.449,24 2.95,25 2.95,26 3.451,27 3.451,28 5.451,29 3.451,30 84.844,31 9.433,32 12.51,33 3.765,34 157.065,35 117.705,36 2.538,37 0.461,38 2.593,39 7.445,40 13.702,41 4.048,42 4.048,43 7.048,44 4.048,45 81.75,46 3.442,47 38.836,48 122.82,49 1,50 117.705,51 204.391,52 11.558,53 0.259,54 75.435,55 5.362,56 15.854,57 75.435,58 10.854,59 3,60 1,61 4.108,62 0.995,63 6.689,64 3.574,65 0.947,66 2.658,67 2.658,68 3.864,69 5.635,70 3.446,71 5.446,72 3.446,73 20.917,74 29.907,75 3,76 3.759,77 11.761,78 117.705,79 0.506,80 7,81 7.834,82 28.642,83 2.715,84 20.702,85 3.54,86 42.27,87 1.652,88 3.761,89 7.563,90 7.075,91 2.3,92 1.962,93 1.675,94 4.808,95 0.825,96 5.516,97 42.068,98 1.839,99 4.728,100 2.541,101 2.541,102 90.212,103 3.535,104 750.176,105 6.663,106 107.05,107 3.234,108 25.316,109 45.667,110 121.827,111 121.827,112 3.653,113 2,114 309.917,115 747.957,116 2.292,117 9.204,118 1.079,119 3.114,120 4.183,121 6.605,122 5.759,123 37.873,124 2.276,125 2.276,126 1,127 5.532,128 2.161,129 2.161,130 20.422,131 17.494,132 5.62,133 57.65,134 36.295,135 2.171,136 58.722,137 42.27,138 0.424,139 11.973,140 552.04,141 242.071,142 0.858,143 5.573,144 2.066,145 62.118,146 6.258,147 6.258,148 1.489,149 0.362,150 2,151 0.266,152 3.146,153 0.87,154 40989,155 5.82,156 6.601,157 3.144,158 3.352,159 5.144,160 6.433,161 60.102,162 3.7,163 3,164 3.523,165 21.354,166 5.9,167 0.074,168 8,169 5.596,170 3.831,171 5.533,172 36.022,173 6.04,174 1.293,175 1.293,176 1.172,177 193,178 0.013,179 91.75,180 -1.465,181 1.809,182 7.842,183 7.842,184 1.204,185 121.485,186 19,187 4,188 8,189 0.417,190 6.014,191 61.205,192 20.055,193 4.737,194 2.642,195 1.106,196 2,197 2,198 6.504,199 6.504,200 4.022,201 6.398,202 27.513,203 0.882,204 3.63,205 3,206 6.266,207 3945,208 7.22}
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{0 CHEMBL2092976,1 3.942,2 5.942,3 3.942,4 1,5 4.141,6 2.53,7 5.625,8 2,9 0.165,10 11.621,11 11.621,12 11.621,13 29.459,14 1.653,15 6.913,16 6.913,17 -0.096,18 5.239,20 1.211,21 0.618,22 4.244,23 4.244,24 2.075,25 2.075,26 3.276,27 3.276,28 5.276,29 3.276,30 87.601,31 6.535,32 11.346,33 3.677,34 135.03,35 134.49,36 2.25,37 0.533,38 2.4,39 7.436,40 9.264,41 4.137,42 4.137,43 7.137,44 4.137,45 94.11,46 2.937,47 36.865,48 108.026,49 1,50 134.49,51 179.266,52 7.884,53 0.219,54 75.435,55 4.042,56 10.663,57 75.435,58 9.922,59 4,60 1,61 3.704,62 0.89,63 6.492,64 3.529,65 0.67,66 2.543,67 2.543,68 3.856,69 5.749,70 3.17,71 5.17,72 3.17,73 18.5,74 26.277,76 3.68,77 11.263,78 134.49,79 0.448,80 8,81 7.657,82 25.156,83 2.582,84 19.236,85 3.208,86 59.056,87 0.859,88 3.725,89 7.069,90 6.715,91 1.974,92 1.86,93 1.751,94 4.949,95 0.603,96 5.31,97 39.878,98 1.619,99 4.002,100 2.261,101 2.261,102 81.274,103 3.188,104 622.55,105 6.505,106 94.11,107 3.011,108 20.819,109 38.686,110 103.387,111 103.387,112 3.084,113 2,114 258.626,115 622.807,116 1.929,117 8.498,118 0.937,119 2.81,120 3.742,121 6.44,122 5.333,123 31.386,124 2.066,125 2.066,126 1,127 5.147,128 1.833,129 1.833,130 15.755,131 16.067,132 5.187,133 56.156,134 34.436,135 1.939,136 74.806,137 59.056,138 0.071,139 8.07,140 460.72,141 199.535,142 0.892,143 5.553,144 1.71,145 53.656,146 5.011,147 5.011,148 1.372,149 0.397,150 1.319,152 2.79,153 0.899,154 30843,155 5.464,156 6.313,157 3.102,158 3.206,159 4.683,160 6.021,161 35.553,162 4.8,163 1,164 3.259,165 21.525,166 3.6,167 0.013,168 6,169 5.402,170 3.817,171 6.653,172 36.022,173 5.925,174 1,175 1,176 0.93,177 152,178 -0.113,179 86.944,180 -0.67,181 1.573,182 6.28,183 6.28,184 1.326,185 141.918,186 15,187 4,188 9,189 0.384,190 5.561,191 44.063,192 20.19,193 4.869,194 2.407,195 0.853,196 1.733,197 1.733,198 5.869,199 5.869,200 3.963,201 6.224,202 28.329,203 1.052,204 3.508,205 3,206 5.938,207 2704,208 8.854}
{0 CHEMBL2092988,1 3.909,2 5.909,3 3.909,5 4.399,6 2.651,7 5.991,9 0.208,10 11.535,11 11.535,12 11.535,13 29.96,14 1.958,15 6.889,16 6.889,17 -0.097,18 5.614,19 1,20 1.332,21 0.609,22 4.251,23 4.251,24 2.19,25 2.19,26 3.279,27 3.279,28 5.279,29 3.279,30 87.601,31 7.003,32 12.08,33 3.657,34 172.624,35 157.326,36 2.381,37 0.486,38 2.531,39 8.201,40 9.894,41 4.16,42 4.16,43 7.16,44 4.16,45 100.1,46 3.266,47 37.299,48 121.577,49 1,50 142.366,51 207.77,52 8.434,53 0.141,54 86.435,55 4.301,56 11.374,57 101.395,58 10.565,59 4,61 3.77,62 1.096,63 6.742,64 3.734,65 0.852,66 2.733,67 2.733,68 3.853,69 7.282,70 3.186,71 5.186,72 3.186,73 23.75,74 30.725,75 2,76 3.656,77 13.017,78 157.326,79 0.357,80 9,81 9.338,82 31.564,83 2.315,84 19.096,85 3.559,86 55.931,87 0.639,88 3.712,89 7.531,90 6.574,91 1.981,92 1.945,93 1.837,94 7.424,95 0.684,96 5.324,97 40.284,98 1.789,99 4.502,100 2.571,101 2.571,102 133.749,103 3.309,104 800.992,105 6.718,106 100.1,107 3.183,108 25.764,109 48.281,110 127.473,111 127.473,112 3.181,113 2,114 315.84,115 762.409,116 2.204,117 9.051,118 1.049,119 3.16,120 5.244,121 6.737,122 5.609,123 56.039,124 2.2,125 2.2,126 1,127 5.507,128 2.109,129 2.109,130 15.848,131 27.795,132 5.434,133 73.573,134 34.889,135 2.159,136 94.115,137 70.891,138 0.154,139 10.961,140 570.47,141 251.598,142 0.885,143 5.523,144 1.937,145 46.321,146 5.994,147 5.994,148 1.553,149 0.428,150 1.81,151 -0.707,152 3.092,153 0.893,154 46707,155 5.727,156 6.618,157 3.314,158 1.69,159 5.154,160 6.448,161 56.556,162 4.8,164 3.446,165 21.921,166 3.893,167 0.151,168 1,169 5.775,170 3.807,171 7.222,172 36.022,173 6.158,174 1.299,175 1.299,176 1.238,177 217,178 -0.065,179 104.25,180 -0.784,181 1.738,182 8.309,183 8.309,184 1.206,185 181.106,186 12,187 5,188 9,189 0.33,190 5.875,191 67.678,192 20.562,193 4.851,194 2.873,195 1.436,196 2.038,197 2.038,198 6.846,199 6.846,200 3.992,201 6.481,202 32.246,203 1.06,204 3.712,205 3,206 6.245,207 4098,208 4}
{0 CHEMBL2092989,1 3.769,2 5.769,3 3.769,5 3.114,6 1.593,7 4.564,8 1,9 0.083,10 10.955,11 10.955,12 10.955,13 29.25,14 0.4,15 6.717,16 6.717,17 -0.016,18 4.221,19 1,20 1.329,22 4.159,23 4.159,24 1.958,25 1.958,26 3.177,27 3.177,28 5.177,29 3.177,30 50.617,31 5.481,32 10.067,33 3.493,34 40.37,35 77.952,36 1.522,37 0.631,38 1.678,39 7.428,40 8.098,41 4.1,42 4.1,43 7.1,44 4.1,45 53.49,46 2.277,47 36.266,48 68.24,49 1,50 77.952,51 116.026,52 6.78,54 25.145,55 3.052,56 9.428,57 25.145,58 8.712,59 2,61 3.277,62 0.252,63 5.907,64 3.188,65 0.329,66 1.976,67 1.976,68 3.659,69 3.212,70 3.116,71 5.116,72 3.116,73 13,74 18.924,75 1,76 3.495,77 7.159,78 77.952,80 4,81 4.363,82 17.062,83 1.763,84 18.136,85 2.843,86 52.807,87 0.141,88 3.533,89 5.969,90 6.519,91 0.639,92 1.855,93 1.331,94 4.686,95 0.245,96 5.194,97 13.015,98 1.672,99 3.574,100 1.865,101 1.865,102 40.409,103 2.634,104 451.966,105 5.664,106 53.49,107 2.519,108 15.43,109 27.867,110 68.088,111 68.088,112 2.155,114 196.197,115 470.482,116 1.311,117 7.348,118 0.967,119 2.056,120 2.345,121 5.977,122 5.159,123 18.666,124 1.546,125 1.546,127 4.892,128 1.483,129 1.483,130 6.276,131 6.401,132 5.011,133 37.355,134 33.901,135 1.501,136 38.316,137 52.807,138 0.154,139 5.989,140 342.01,141 137.252,142 0.939,143 5.462,144 1.22,145 22.651,146 3.297,147 3.297,148 1.107,149 0.123,150 1.002,152 2.47,153 0.956,154 13354,155 5.247,156 5.861,157 2.842,159 3.921,160 5.988,161 28.7,162 2,164 2.895,165 21.585,166 3.434,167 -0.059,168 5,169 6.546,170 3.618,171 7.034,172 36.022,173 5.559,174 0.499,175 0.499,176 0.677,177 96,178 -0.007,179 58.333,180 0.835,181 1.625,182 5.115,183 5.115,184 1.047,185 39.846,186 2,188 4,189 0.196,190 5.371,191 24.817,192 20.247,193 4.374,194 1.738,195 0.551,196 1.315,197 1.315,198 3.774,199 3.774,200 3.981,201 5.86,202 21.341,203 0.992,204 2.97,205 1,206 5.779,207 1148,208 4.745}
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{0 CHEMBL2110201,1 3.912,2 5.912,3 3.912,4 1,5 3.665,6 2.111,7 5.133,8 2,9 0.294,10 11.429,11 11.429,12 11.429,13 29.403,14 1.037,15 6.873,16 6.873,17 -0.076,18 4.769,19 1,20 1.496,21 0.4,22 4.224,23 4.224,24 2.063,25 2.063,26 3.254,27 3.254,28 5.254,29 3.254,30 107.618,31 6.047,32 10.886,33 3.422,34 98.224,35 190.639,36 1.901,37 0.487,38 2.262,39 7.434,40 8.784,41 4.071,42 4.071,43 7.071,44 4.071,45 140.29,46 2.827,47 36.621,48 106.502,49 1,50 190.639,51 180.474,52 7.396,53 0.13,54 50.29,55 3.627,56 10.196,57 50.29,58 9.448,59 3,60 1,61 3.534,62 0.716,63 6.372,64 3.328,65 0.631,66 2.487,67 2.487,68 3.849,69 5.39,70 3.155,71 5.155,72 3.155,73 18,74 25.07,75 1,76 3.466,77 10.668,78 174.098,79 0.345,80 10,81 7.19,82 24.262,83 2.36,84 19.038,85 3.299,86 140.349,87 0.647,88 3.682,89 6.576,90 6.675,91 1.653,92 1.727,93 1.6,94 4.813,95 0.485,96 5.301,97 26.336,98 1.584,99 4.003,100 2.324,101 2.324,102 67.34,103 3.056,104 609.422,105 6.29,106 140.29,107 3.016,108 20.284,109 39.033,110 103.947,111 103.947,112 2.783,113 3,114 250.552,115 603.106,116 1.704,117 8.012,118 1.02,119 2.574,120 3.391,121 6.347,122 5.187,123 37.682,124 2.049,125 2.049,126 1,127 5.25,128 1.846,129 1.846,130 12.549,131 15.686,132 5.1,133 54.392,134 34.212,135 1.976,136 58.481,137 140.349,138 0.071,139 8.724,140 434.1,141 195.543,142 0.92,143 5.529,144 1.662,145 51.818,146 5.081,147 5.081,148 1.454,149 0.463,150 1.344,152 2.84,153 0.92,154 30035,155 5.252,156 6.282,157 3.13,158 1.582,159 4.733,160 6.116,161 42.696,162 3.1,163 1,164 3.124,165 21.572,166 3.586,167 -0.033,168 4,169 8.646,170 3.754,171 6.629,172 70.573,173 5.912,174 1,175 1,176 1.069,177 165,178 -0.069,179 81.167,180 0.093,181 1.534,182 6.681,183 6.681,184 1.27,185 121.097,186 8,187 2,188 11,189 0.314,190 5.318,191 42.932,192 20.232,193 4.739,194 2.313,195 0.853,196 1.554,197 1.554,198 5.926,199 5.926,200 3.943,201 6.158,202 31.225,203 1.028,204 3.434,205 2,206 5.939,207 2442,208 10.131}
{0 CHEMBL2110202,1 3.912,2 5.912,3 3.912,4 1,5 3.665,6 2.111,7 5.133,8 2,9 0.267,10 11.429,11 11.429,12 11.429,13 29.318,14 1.037,15 6.873,16 6.873,17 -0.073,18 4.77,19 1,20 1.496,21 0.647,22 4.224,23 4.224,24 2.063,25 2.063,26 3.254,27 3.254,28 5.254,29 3.254,30 125.629,31 6.047,32 10.886,33 3.425,34 97.684,35 190.639,36 1.901,37 0.506,38 2.224,39 7.434,40 8.784,41 4.071,42 4.071,43 7.071,44 4.071,45 140.29,46 2.825,47 36.599,48 106.66,49 1,50 190.639,51 180.562,52 7.396,53 0.13,54 50.29,55 3.636,56 10.196,57 50.29,58 9.448,59 3,60 1,61 3.534,62 0.738,63 6.345,64 3.328,65 0.703,66 2.514,67 2.514,68 3.865,69 5.705,70 3.155,71 5.155,72 3.155,73 17.667,74 24.907,75 1,76 3.488,77 11.086,78 174.098,79 0.345,80 10,81 7.471,82 24.262,83 2.345,84 19.038,85 3.245,86 140.349,87 0.657,88 3.682,89 6.576,90 6.675,91 1.653,92 1.726,93 1.604,94 4.814,95 0.442,96 5.297,97 26.271,98 1.584,99 3.603,100 2.258,101 2.258,102 66.535,103 2.884,104 609.422,105 6.227,106 140.29,107 2.993,108 20.069,109 39.033,110 103.947,111 103.947,112 2.816,113 3,114 250.552,115 603.106,116 1.704,117 8.012,118 1.028,119 2.615,120 3.464,121 6.299,122 5.153,123 38.242,124 2.028,125 2.028,126 1,127 5.22,128 1.824,129 1.824,130 13.064,131 13.419,132 5.05,133 54.48,134 34.185,135 1.952,136 60.279,137 140.349,138 0.071,139 8.739,140 434.1,141 196.638,142 0.927,143 5.529,144 1.433,145 53.924,146 4.99,147 4.99,148 1.459,149 0.474,150 1.344,152 2.817,153 0.927,154 31230,155 5.231,156 6.256,157 3.13,158 1.587,159 4.681,160 5.941,161 41.176,162 3.1,163 1,164 3.121,165 21.352,166 3.586,167 -0.006,168 5,169 8.652,170 3.782,171 6.629,172 70.573,173 5.912,174 1,175 1,176 1.069,177 170,178 -0.05,179 81,180 0.132,181 1.534,182 6.436,183 6.436,184 1.27,185 100.741,186 11,187 2,188 11,189 0.327,190 5.288,191 42.157,192 20.026,193 4.742,194 2.291,195 0.763,196 1.555,197 1.555,198 5.843,199 5.843,200 3.942,201 6.145,202 30.857,203 1.018,204 3.453,205 2,206 5.649,207 2540,208 9.553}
{0 CHEMBL2111654,1 3.857,2 5.857,3 3.857,4 1,5 4.656,6 2.798,7 6.427,8 4,9 0.18,10 9.796,11 9.796,12 9.796,13 28.697,14 1.653,15 6.426,16 6.426,17 0.013,18 5.868,20 1.299,21 0.828,22 3.996,23 3.996,24 2.454,25 2.454,26 3.026,27 3.026,28 5.026,29 3.026,30 117.18,31 7.467,32 13.502,33 3.666,34 158.055,35 153.85,36 2.149,37 0.53,38 2.243,39 7.438,40 10.878,41 3.716,42 3.716,43 6.716,44 3.716,45 108.05,46 2.762,47 34.787,50 153.85,52 9.149,53 0.293,54 111.58,55 4.425,56 12.633,57 111.58,58 11.723,59 4,60 1,61 3.692,62 1.147,63 6.501,64 3.683,65 0.651,66 2.396,67 2.396,68 3.874,69 8.845,70 2.936,71 4.936,72 2.936,73 20.667,74 28.321,76 3.681,77 14.525,78 153.85,79 0.602,80 9,81 10.588,82 29.159,83 2.273,84 16.67,85 3.266,86 42.27,87 1.2,88 3.75,89 8.187,90 6.227,91 1.988,92 1.959,93 1.66,94 7.423,95 0.632,96 5.063,97 51.587,98 1.784,99 3.675,100 2.275,101 2.275,102 111.788,103 3.528,104 723.292,105 6.364,106 108.05,107 3.178,108 22.546,109 43.633,110 113.336,111 113.336,112 3.3,113 3,114 287.662,115 693.654,116 2.105,117 9.951,118 1.072,119 2.736,120 4.899,121 6.41,122 4.736,123 45.97,124 2.201,125 2.201,126 1,127 5.255,128 1.957,129 1.957,130 18.613,131 19.302,132 4.673,133 72.84,134 32.534,135 2.138,136 75.03,137 42.27,139 9.028,140 516.35,141 228.366,142 0.894,143 5.245,144 1.931,145 60.354,146 5.559,147 5.559,148 1.429,149 0.524,150 1.746,152 2.92,153 0.898,154 43132,155 4.804,156 6.431,157 3.121,158 3.342,159 4.89,160 5.595,161 45.488,162 6.8,164 3.215,165 20.485,166 4.223,167 -0.071,168 3,169 5.497,170 3.83,172 36.022,173 6.041,174 1,175 1,176 1.051,177 201,178 -0.006,179 95.667,180 -1.386,181 1.731,182 6.237,183 6.237,184 1.376,185 121.793,186 10,187 4,188 9,189 0.433,190 4.89,191 45.621,192 19.319,193 4.785,194 2.58,195 0.873,196 1.718,197 1.718,198 5.988,199 5.988,200 3.89,201 6.276,202 30.19,203 0.952,204 3.366,205 4,206 5.376,207 4314,208 5}
{0 CHEMBL2111881,1 3.957,2 5.957,3 3.957,5 5.685,6 3.903,7 7.304,8 10,9 0.165,10 11.319,11 11.319,12 11.319,13 29.867,14 2.025,15 6.864,16 6.864,17 -0.004,18 6.798,20 1.339,21 1.985,22 4.227,23 4.227,24 2.341,25 2.341,26 3.243,27 3.243,28 5.243,29 3.243,30 418.956,31 8.242,32 13.696,33 3.848,34 613.123,35 573.268,36 3.526,37 0.496,38 3.54,39 7.48,40 11.307,41 4.492,42 4.492,43 7.492,44 4.492,45 374.64,46 3.689,47 36.744,50 573.268,52 9.751,53 1.941,54 379.499,55 5.446,56 12.9,57 379.499,58 12.077,59 10,61 3.846,62 3.322,63 7.58,64 3.827,65 1.074,66 2.801,67 2.801,68 3.94,69 19.33,70 3.193,71 5.193,72 3.193,73 44.167,74 57.76,75 1,76 3.842,77 30.867,78 556.482,79 1.968,80 22,81 24.502,82 62.709,83 3.122,84 19.082,85 3.739,86 193.769,87 2.001,88 3.84,89 8.889,90 6.722,91 2.341,92 2.035,93 1.925,94 7.434,95 0.587,96 5.289,97 134.432,98 1.914,99 5.295,100 2.748,101 2.748,102 483.928,103 3.751,104 1493.87,105 7.779,106 374.64,107 3.655,108 43.978,109 89.667,110 237.867,111 237.867,112 4.265,113 1,114 563.539,115 1366.79,116 3.51,117 10.476,118 1.064,119 3.642,120 8.689,121 7.487,122 5.583,123 166.578,124 2.658,125 2.658,127 6.149,128 2.629,129 2.629,130 44.903,131 57.206,132 5.455,133 188.922,134 34.371,135 2.644,136 309.494,137 193.769,138 0.074,139 19.003,140 1024.61,141 536.582,142 0.894,143 5.57,144 3.241,145 199.365,146 7.837,147 7.837,148 1.882,149 1.027,150 2.818,152 3.621,153 0.918,154 259382,155 5.591,156 7.277,157 3.598,158 1.102,159 5.81,160 6.229,161 110.013,162 8.8,164 3.851,165 22.644,166 3.925,167 -0.037,168 22,169 15.309,170 3.91,171 6.843,172 318.694,173 6.81,174 2.066,175 2.066,176 2.124,177 616,178 -0.013,179 212,180 -9.965,181 1.888,182 8.602,183 8.602,184 1.307,185 748.997,186 21,187 10,188 23,189 0.541,190 5.631,191 139.258,192 21.199,193 7.43,194 3.623,195 2.2,196 2.494,197 2.494,198 8.162,199 8.162,200 4.063,201 7.121,202 47.805,203 0.986,204 3.793,205 10,206 6.204,207 23074,208 5.187}
{0 CHEMBL2111882,1 3.957,2 5.957,3 3.957,5 5.685,6 3.903,7 7.304,8 10,9 0.165,10 11.319,11 11.319,12 11.319,13 29.867,14 2.025,15 6.864,16 6.864,17 -0.004,18 6.798,20 1.339,21 1.985,22 4.227,23 4.227,24 2.341,25 2.341,26 3.243,27 3.243,28 5.243,29 3.243,30 418.956,31 8.242,32 13.696,33 3.848,34 613.123,35 573.268,36 3.526,37 0.496,38 3.54,39 7.48,40 11.307,41 4.492,42 4.492,43 7.492,44 4.492,45 374.64,46 3.689,47 36.744,50 573.268,52 9.751,53 1.941,54 379.499,55 5.446,56 12.9,57 379.499,58 12.077,59 10,61 3.846,62 3.322,63 7.58,64 3.827,65 1.074,66 2.801,67 2.801,68 3.94,69 19.33,70 3.193,71 5.193,72 3.193,73 44.167,74 57.76,75 1,76 3.842,77 30.867,78 556.482,79 1.968,80 22,81 24.502,82 62.709,83 3.122,84 19.082,85 3.739,86 193.769,87 2.001,88 3.84,89 8.889,90 6.722,91 2.341,92 2.035,93 1.925,94 7.434,95 0.587,96 5.289,97 134.432,98 1.914,99 5.295,100 2.748,101 2.748,102 483.928,103 3.751,104 1493.87,105 7.779,106 374.64,107 3.655,108 43.978,109 89.667,110 237.867,111 237.867,112 4.265,113 1,114 563.539,115 1366.79,116 3.51,117 10.476,118 1.064,119 3.642,120 8.689,121 7.487,122 5.583,123 166.578,124 2.658,125 2.658,127 6.149,128 2.629,129 2.629,130 44.903,131 57.206,132 5.455,133 188.922,134 34.371,135 2.644,136 309.494,137 193.769,138 0.074,139 19.003,140 1024.61,141 536.582,142 0.894,143 5.57,144 3.241,145 199.365,146 7.837,147 7.837,148 1.882,149 1.027,150 2.818,152 3.621,153 0.918,154 259382,155 5.591,156 7.277,157 3.598,158 1.102,159 5.81,160 6.229,161 110.013,162 8.8,164 3.851,165 22.644,166 3.925,167 -0.037,168 22,169 15.309,170 3.91,171 6.843,172 318.694,173 6.81,174 2.066,175 2.066,176 2.124,177 616,178 -0.013,179 212,180 -9.965,181 1.888,182 8.602,183 8.602,184 1.307,185 748.997,186 21,187 10,188 23,189 0.541,190 5.631,191 139.258,192 21.199,193 7.43,194 3.623,195 2.2,196 2.494,197 2.494,198 8.162,199 8.162,200 4.063,201 7.121,202 47.805,203 0.986,204 3.793,205 10,206 6.204,207 23074,208 5.187}
{0 CHEMBL2111920,1 3.906,2 5.906,3 3.906,4 1,5 3.665,6 2.111,7 5.131,8 2,9 0.198,10 11.429,11 11.429,12 11.429,13 29.359,14 0.85,15 6.873,16 6.873,17 -0.039,18 4.749,20 1.169,21 0.219,22 4.224,23 4.224,24 2.062,25 2.062,26 3.254,27 3.254,28 5.254,29 3.254,30 57.751,31 6.037,32 10.878,33 3.416,34 89.525,35 106.221,36 1.686,37 0.571,38 1.881,39 7.434,40 8.777,41 4.134,42 4.134,43 7.134,44 4.134,45 73.8,46 2.794,47 36.61,48 82.165,49 1,50 106.221,51 138.955,52 7.388,54 50.29,55 3.581,56 10.188,57 50.29,58 9.441,59 3,60 1,61 3.545,62 0.666,63 6.215,64 3.188,65 0.264,66 2.184,67 2.184,68 3.673,69 4.255,70 3.155,71 5.155,72 3.155,73 15.333,74 21.587,76 3.45,77 8.698,78 106.221,79 0.03,80 6,81 5.84,82 20.143,83 2.43,84 19.038,85 2.937,86 55.931,87 0.488,88 3.577,89 6.572,90 6.675,91 1.653,92 1.714,93 1.402,94 4.869,95 0.26,96 5.291,97 25.683,98 1.574,99 3.593,100 1.969,101 1.969,102 56.208,103 3.102,104 504.189,105 5.982,106 73.8,107 2.558,108 16.928,109 30.519,110 80.368,111 80.368,112 2.682,113 1,114 210.194,115 504.635,116 1.498,117 8.007,118 0.925,119 2.255,120 3.082,121 6.075,122 4.984,123 22.911,124 1.575,125 1.575,126 1,127 4.877,128 1.414,129 1.414,130 10.603,131 13.756,132 4.89,133 46.717,134 34.198,135 1.545,136 50.976,137 55.931,138 0.087,139 5.67,140 369.43,141 151.474,142 0.936,143 5.494,144 1.316,145 39.146,146 3.433,147 3.433,148 1.107,149 0.296,150 1.057,152 2.393,153 0.954,154 18054,155 5.056,156 6.08,157 2.833,158 1.509,159 4.058,160 6.056,161 27.713,162 4.1,163 1,164 2.876,165 21.594,166 3.581,167 -0.101,168 4,169 5.329,170 3.628,171 5.46,172 36.022,173 5.692,174 0.459,175 0.459,176 0.703,177 110,178 -0.039,179 70.778,180 -0.286,181 1.526,182 5.471,183 5.471,184 1.225,185 76.537,186 12,187 2,188 7,189 0.321,190 5.106,191 27.619,192 20.253,193 4.681,194 1.909,195 0.716,196 1.392,197 1.392,198 3.746,199 3.746,200 3.958,201 5.994,202 19.531,203 1,204 3.165,205 2,206 5.932,207 1470,208 6.553}
{0 CHEMBL2111921,1 3.812,2 5.812,3 3.812,4 1,5 3.609,6 2.064,7 5.055,8 2,9 0.294,10 10.949,11 10.949,12 10.949,13 28.89,14 0.789,15 6.716,16 6.716,17 -0.019,18 4.698,20 1.161,21 0.141,22 4.145,23 4.145,24 2.037,25 2.037,26 3.168,27 3.168,28 5.168,29 3.168,30 57.751,31 5.961,32 10.706,33 3.404,34 77.7,35 121.108,36 1.523,37 0.54,38 1.807,39 7.435,40 8.647,41 4.1,42 4.1,43 7.1,44 4.1,45 82.59,46 2.636,47 35.934,48 79.782,49 1,50 121.108,51 135.353,52 7.286,54 50.29,55 3.547,56 10.032,57 50.29,58 9.294,59 3,60 1,61 3.515,62 0.468,63 6.097,64 3.188,65 0.274,66 2.203,67 2.203,68 3.673,69 4.362,70 3.097,71 5.097,72 3.097,73 14.5,74 20.217,76 3.44,77 8.294,78 121.108,80 6,81 5.409,82 18.913,83 2.401,84 18.127,85 2.867,86 70.818,87 0.242,88 3.566,89 6.473,90 6.518,91 1.652,92 1.67,93 1.377,94 4.754,95 0.26,96 5.209,97 25.23,98 1.555,99 3.48,100 1.89,101 1.89,102 49.383,103 2.737,104 480.04,105 5.84,106 82.59,107 2.77,108 15.847,109 29.433,110 74.64,111 74.64,112 2.637,114 201.862,115 484.302,116 1.311,117 7.884,118 1.007,119 2.245,120 3,121 6.025,122 4.905,123 25.633,124 1.775,125 1.775,126 1,127 4.773,128 1.469,129 1.469,130 9.724,131 11.897,132 4.796,133 44.481,134 33.558,135 1.758,136 51.396,137 70.818,138 0.087,139 5.438,140 354.22,141 145.697,142 0.944,143 5.438,144 1.24,145 54.032,146 3.269,147 3.269,148 1.112,149 0.244,150 1.056,152 2.455,153 0.954,154 16070,155 4.963,156 5.982,157 2.955,159 3.912,160 5.781,161 24.222,162 4.1,163 1,164 2.894,165 21.398,166 3.553,167 0.025,168 6,169 8.264,170 3.627,171 5.38,172 54.032,173 5.675,174 -0.04,175 -0.04,176 0.713,177 108,178 -0.02,179 67.167,180 -0.263,181 1.508,182 5.172,183 5.172,184 1.135,185 64.032,186 9,187 1,188 6,189 0.304,190 5.017,191 22.791,192 20.074,193 4.686,194 2.136,195 0.661,196 1.313,197 1.313,198 4.771,199 4.771,200 3.954,201 5.941,202 21.396,203 0.976,204 3.198,205 2,206 5.572,207 1366,208 7.398}
{0 CHEMBL2111922,1 3.906,2 5.906,3 3.906,4 1,5 3.665,6 2.111,7 5.131,8 2,9 0.125,10 11.429,11 11.429,12 11.429,13 29.3,14 0.86,15 6.873,16 6.873,17 -0.01,18 4.756,20 1.169,21 0.488,22 4.224,23 4.224,24 2.062,25 2.062,26 3.254,27 3.254,28 5.254,29 3.254,30 57.751,31 6.038,32 10.878,33 3.416,34 85.269,35 117.221,36 1.686,37 0.618,38 1.899,39 7.434,40 8.777,41 4.133,42 4.133,43 7.133,44 4.133,45 83.03,46 2.794,47 36.598,48 86.794,49 1,50 117.221,51 146.835,52 7.388,53 0.03,54 61.29,55 3.611,56 10.188,57 61.29,58 9.441,59 3,60 1,61 3.533,62 0.602,63 6.219,64 3.188,65 0.356,66 2.268,67 2.268,68 3.675,69 4.506,70 3.155,71 5.155,72 3.155,73 15.833,74 21.794,76 3.45,77 9.127,78 117.221,79 0.219,80 7,81 6.121,82 20.791,83 2.418,84 19.038,85 2.985,86 55.931,87 0.85,88 3.57,89 6.572,90 6.675,91 1.653,92 1.714,93 1.502,94 4.854,95 0.33,96 5.291,97 25.787,98 1.574,99 3.494,100 2.029,101 2.029,102 56.485,103 2.892,104 523.979,105 6.014,106 83.03,107 2.796,108 17.202,109 32.2,110 82.678,111 82.678,112 2.779,113 1,114 215.45,115 517.458,116 1.333,117 8.007,118 0.95,119 2.318,120 3.24,121 6.166,122 4.997,123 29.305,124 1.819,125 1.819,126 1,127 4.978,128 1.554,129 1.554,130 12.323,131 14.282,132 4.92,133 49.172,134 34.183,135 1.759,136 48.637,137 55.931,138 0.087,139 5.794,140 380.31,141 158.973,142 0.933,143 5.493,144 1.316,145 39.146,146 3.53,147 3.53,148 1.189,149 0.361,150 1.057,152 2.542,153 0.942,154 19284,155 5.069,156 6.122,157 2.967,158 1.519,159 4.203,160 5.941,161 30.831,162 5.7,163 1,164 2.958,165 21.525,166 3.581,167 -0.104,168 4,169 5.415,170 3.631,171 5.46,172 36.022,173 5.745,174 0.457,175 0.457,176 0.77,177 119,178 -0.032,179 72.167,180 -0.234,181 1.527,182 5.826,183 5.826,184 1.284,185 82.573,186 8,187 2,188 7,189 0.362,190 5.124,191 28.282,192 20.187,193 4.681,194 2.245,195 0.695,196 1.318,197 1.318,198 4.962,199 4.962,200 3.958,201 6.005,202 23.91,203 0.994,204 3.238,205 2,206 5.635,207 1649,208 6.523}
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{0 CHEMBL2112488,1 3.856,2 5.856,3 3.856,5 5.074,6 3.263,7 6.729,8 6,9 0.249,10 10.339,11 10.339,12 10.339,13 29.179,14 1.992,15 6.543,16 6.543,17 -0.032,18 6.237,20 1.29,21 1.904,22 4.089,23 4.089,24 2.341,25 2.341,26 3.139,27 3.139,28 5.139,29 3.139,30 183.432,31 7.711,32 13.196,33 3.523,34 338.017,35 316.02,36 2.191,37 0.449,38 2.328,39 7.475,40 10.809,41 4.474,42 4.474,43 7.474,44 4.474,45 218.73,46 3.52,47 35.731,50 316.02,52 9.24,53 0.326,54 179.408,55 4.848,56 12.407,57 179.408,58 11.57,59 5,61 3.789,62 1.923,63 6.854,64 3.696,65 0.586,66 2.558,67 2.558,68 3.752,69 10.375,70 3.048,71 5.048,72 3.048,73 22.417,74 28.457,76 3.534,77 14.254,78 299.234,79 0.426,80 12,81 11.72,82 31.245,83 3.003,84 17.139,85 3.065,86 136.612,87 1.945,88 3.597,89 8.345,90 6.403,91 2.189,92 1.843,93 1.675,94 7.428,95 0.639,96 5.161,97 61.552,98 1.666,99 3.882,100 2.07,101 2.07,102 197.279,103 3.601,104 749.201,105 6.824,106 218.73,107 3.046,108 21.706,109 45.167,110 122.125,111 122.125,112 3.626,113 1,114 278.185,115 670.532,116 2.034,117 9.955,118 1.115,119 3.168,120 6.364,121 6.641,122 4.71,123 106.439,124 2.046,125 2.046,126 1,127 5.325,128 1.96,129 1.96,130 22.636,131 27.996,132 4.625,133 100.896,134 33.426,135 1.997,136 158.738,137 136.612,138 0.222,139 9.773,140 498.31,141 209.733,142 0.897,143 5.504,144 1.853,145 132.07,146 4.89,147 4.89,148 1.467,149 0.708,150 1.546,151 -0.816,152 2.958,153 0.897,154 34862,155 4.7,156 6.524,157 3.175,159 4.591,160 6.183,161 50.124,162 9.5,164 3.373,165 22.494,166 4.044,167 0.089,168 7,169 7.434,170 3.704,171 6.823,172 179.295,173 6.165,174 0.811,175 0.811,176 1.049,177 171,178 -0.063,179 104.583,180 -4.687,181 1.619,182 5.925,183 5.925,184 1.428,185 306.328,186 9,187 5,188 13,189 0.58,190 4.736,191 60.654,192 21.014,193 7.423,194 3.128,195 1.285,196 1.626,197 1.626,198 5.599,199 5.599,200 4.047,201 6.382,202 23.748,203 1.067,204 3.555,205 5,206 6.013,207 3170,208 4}
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{0 CHEMBL281560,1 3.885,2 5.885,3 3.885,5 4.706,6 2.892,7 6.396,8 3,9 0.134,10 12.67,11 12.67,12 12.67,13 30.046,14 1.938,15 7.208,16 7.208,17 0.007,18 5.817,20 1.49,21 0.594,22 4.363,23 4.363,24 2.378,25 2.378,26 3.366,27 3.366,28 5.366,29 3.366,30 158.287,31 7.348,32 13.096,33 3.627,34 255.633,35 167.522,36 2.387,37 0.436,38 2.623,39 7.474,40 10.59,41 3.907,42 3.907,43 6.907,44 3.907,45 107.02,46 3.351,47 38.142,50 167.522,52 8.947,53 0.068,54 143.263,55 4.411,56 12.261,57 143.263,58 11.406,59 4,61 3.85,62 1.559,63 6.759,64 3.581,65 0.894,66 2.489,67 2.489,68 3.824,69 8.318,70 3.357,71 5.357,72 3.357,73 22.25,74 30.57,76 3.638,77 14.151,78 167.522,79 0.588,80 8,81 10.87,82 31.493,83 2.78,84 19.601,85 3.282,86 24.259,87 1.061,88 3.712,89 8.06,90 7.01,91 1.986,92 1.896,93 1.751,94 7.423,95 0.856,96 5.401,97 52.087,98 1.723,99 4.078,100 2.353,101 2.353,102 145.692,103 3.554,104 797.433,105 6.633,106 107.02,107 3.238,108 24.794,109 46.205,110 125.567,111 125.567,112 3.268,113 2,114 306.315,115 739.169,116 2.286,117 9.727,118 1.105,119 3.066,120 5.523,121 6.542,122 4.86,123 64.691,124 2.238,125 2.238,127 5.503,128 2.012,129 2.012,130 17.224,131 24.601,132 4.804,133 75.597,134 35.618,135 2.091,136 100.611,137 24.259,139 11.466,140 554.59,141 232.698,142 0.864,143 5.372,144 2.053,145 51.282,146 5.97,147 5.97,148 1.489,149 0.451,150 1.787,151 0.316,152 2.965,153 0.864,154 43899,155 4.927,156 6.578,157 3.181,158 2.989,159 5.127,160 6.405,161 66.775,162 6.4,164 3.232,165 20.783,166 3.993,167 -0.035,168 3,169 2.797,170 3.783,171 6.581,172 60.694,173 6.091,174 1,175 1,176 1.071,177 196,178 0.006,179 100.472,180 -2.3,181 1.679,182 6.727,183 6.727,184 1.364,185 185.729,186 18,187 3,188 10,189 0.391,190 4.963,191 61.688,192 19.53,193 6.351,194 2.744,195 1.193,196 1.879,197 1.879,198 6.258,199 6.258,200 3.922,201 6.395,202 25.628,203 0.935,204 3.487,205 4,206 6.085,207 4162,208 6.996}
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{0 CHEMBL281728,1 3.885,2 5.885,3 3.885,5 4.706,6 2.892,7 6.396,8 3,9 0.134,10 12.67,11 12.67,12 12.67,13 30.046,14 1.938,15 7.208,16 7.208,17 0.007,18 5.817,20 1.49,21 0.594,22 4.363,23 4.363,24 2.378,25 2.378,26 3.366,27 3.366,28 5.366,29 3.366,30 158.287,31 7.348,32 13.096,33 3.627,34 255.633,35 167.522,36 2.387,37 0.436,38 2.623,39 7.474,40 10.59,41 3.907,42 3.907,43 6.907,44 3.907,45 107.02,46 3.351,47 38.142,50 167.522,52 8.947,53 0.068,54 143.263,55 4.411,56 12.261,57 143.263,58 11.406,59 4,61 3.85,62 1.559,63 6.759,64 3.581,65 0.894,66 2.489,67 2.489,68 3.824,69 8.318,70 3.357,71 5.357,72 3.357,73 22.25,74 30.57,76 3.638,77 14.151,78 167.522,79 0.588,80 8,81 10.87,82 31.493,83 2.78,84 19.601,85 3.282,86 24.259,87 1.061,88 3.712,89 8.06,90 7.01,91 1.986,92 1.896,93 1.751,94 7.423,95 0.856,96 5.401,97 52.087,98 1.723,99 4.078,100 2.353,101 2.353,102 145.692,103 3.554,104 797.433,105 6.633,106 107.02,107 3.238,108 24.794,109 46.205,110 125.567,111 125.567,112 3.268,113 2,114 306.315,115 739.169,116 2.286,117 9.727,118 1.105,119 3.066,120 5.523,121 6.542,122 4.86,123 64.691,124 2.238,125 2.238,127 5.503,128 2.012,129 2.012,130 17.224,131 24.601,132 4.804,133 75.597,134 35.618,135 2.091,136 100.611,137 24.259,139 11.466,140 554.59,141 232.698,142 0.864,143 5.372,144 2.053,145 51.282,146 5.97,147 5.97,148 1.489,149 0.451,150 1.787,151 0.316,152 2.965,153 0.864,154 43899,155 4.927,156 6.578,157 3.181,158 2.989,159 5.127,160 6.405,161 66.775,162 6.4,164 3.232,165 20.783,166 3.993,167 -0.035,168 3,169 2.797,170 3.783,171 6.581,172 60.694,173 6.091,174 1,175 1,176 1.071,177 196,178 0.006,179 100.472,180 -2.3,181 1.679,182 6.727,183 6.727,184 1.364,185 185.729,186 18,187 3,188 10,189 0.391,190 4.963,191 61.688,192 19.53,193 6.351,194 2.744,195 1.193,196 1.879,197 1.879,198 6.258,199 6.258,200 3.922,201 6.395,202 25.628,203 0.935,204 3.487,205 4,206 6.085,207 4162,208 6.674}
{0 CHEMBL281903,1 3.856,2 5.856,3 3.856,5 4.685,6 2.87,7 6.373,8 2,9 0.133,10 12.67,11 12.67,12 12.67,13 30.077,14 1.906,15 7.208,16 7.208,17 0.026,18 5.798,20 1.49,21 0.588,22 4.363,23 4.363,24 2.376,25 2.376,26 3.366,27 3.366,28 5.366,29 3.366,30 158.287,31 7.326,32 13.075,33 3.625,34 235.551,35 199.194,36 2.383,37 0.431,38 2.623,39 7.475,40 10.568,41 4.474,42 4.474,43 7.474,44 4.474,45 131.6,46 3.351,47 38.159,50 199.194,52 8.925,53 0.068,54 143.263,55 4.394,56 12.24,57 143.263,58 11.384,59 4,61 3.785,62 1.492,63 6.718,64 3.554,65 0.9,66 2.739,67 2.739,68 3.827,69 7.862,70 3.357,71 5.357,72 3.357,73 22.583,74 31.562,76 3.635,77 13.917,78 182.409,79 0.262,80 8,81 10.253,82 31.677,83 2.827,84 19.555,85 3.291,86 55.931,87 1.061,88 3.716,89 8.038,90 6.89,91 1.986,92 1.9,93 1.751,94 7.423,95 0.684,96 5.401,97 51.941,98 1.734,99 4.191,100 2.356,101 2.356,102 133.236,103 3.533,104 789.684,105 6.659,106 131.6,107 3.235,108 25.347,109 47.705,110 130.272,111 130.272,112 3.244,113 1,114 312.381,115 753.97,116 2.31,117 9.705,118 1.092,119 3.13,120 5.431,121 6.558,122 5.069,123 68.282,124 2.236,125 2.236,127 5.464,128 1.987,129 1.987,130 16.491,131 23.876,132 5.011,133 71.041,134 35.638,135 2.086,136 113.864,137 55.931,138 0.08,139 11.856,140 556.99,141 248.463,142 0.892,143 5.529,144 2.055,145 66.168,146 5.908,147 5.908,148 1.55,149 0.45,150 1.857,151 0.309,152 2.953,153 0.892,154 51892,155 5.081,156 6.556,157 3.248,158 1.772,159 5.098,160 6.406,161 63.278,162 6.3,164 3.369,165 22.62,166 3.99,167 -0.014,168 9,169 5.387,170 3.787,171 7.402,172 95.49,173 6.14,174 1.18,175 1.18,176 1.116,177 221,178 0.021,179 104.806,180 -2.467,181 1.69,182 6.737,183 6.737,184 1.277,185 188.702,186 16,187 3,188 11,189 0.351,190 5.142,191 58.784,192 21.162,193 6.351,194 3.066,195 1.223,196 1.946,197 1.946,198 6.174,199 6.174,200 4.049,201 6.43,202 24.679,203 0.923,204 3.719,205 4,206 6.085,207 4657,208 6.666}
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{0 CHEMBL292519,1 3.869,2 5.869,3 3.869,5 5.2,6 3.403,7 6.837,8 7,9 0.235,10 10.339,11 10.339,12 10.339,13 29.519,14 2,15 6.543,16 6.543,17 -0.034,18 6.364,20 1.344,21 1.928,22 4.089,23 4.089,24 2.341,25 2.341,26 3.139,27 3.139,28 5.139,29 3.139,30 243.131,31 7.813,32 13.239,33 3.69,34 404.197,35 369.434,36 3.128,37 0.459,38 3.168,39 7.476,40 10.874,41 4.474,42 4.474,43 7.474,44 4.474,45 250.91,46 3.6,47 35.912,50 369.434,52 9.322,53 1.058,54 229.698,55 5.008,56 12.457,57 229.698,58 11.627,59 7,61 3.817,62 2.267,63 7.19,64 3.728,65 1.045,66 2.844,67 2.844,68 3.901,69 14.706,70 3.048,71 5.048,72 3.048,73 33.75,74 44.813,76 3.703,77 22.381,78 352.649,79 1.9,80 15,81 17.078,82 47.311,83 3.091,84 17.14,85 3.703,86 139.736,87 1.967,88 3.782,89 8.434,90 6.344,91 2.189,92 1.996,93 1.893,94 7.43,95 0.516,96 5.163,97 92.248,98 1.795,99 4.889,100 2.71,101 2.71,102 266.273,103 3.655,104 1142.43,105 7.335,106 250.91,107 3.596,108 34.865,109 69,110 181.387,111 181.387,112 3.837,113 1,114 442.957,115 1072.57,116 2.862,117 10.027,118 1.085,119 3.56,120 7.45,121 7.055,122 5.323,123 118.638,124 2.59,125 2.59,126 1,127 5.783,128 2.556,129 2.556,130 29.126,131 39.904,132 5.242,133 126.411,134 33.623,135 2.598,136 189.803,137 139.736,138 0.16,139 14.796,140 794.01,141 396.311,142 0.911,143 5.513,144 2.727,145 140.264,146 7.919,147 7.919,148 1.76,149 0.793,150 2.329,151 -0.896,152 3.554,153 0.925,154 133562,155 5.342,156 6.939,157 3.509,159 5.816,160 6.25,161 76.741,162 7.8,164 3.791,165 23.014,166 4.044,167 0.03,168 11,169 13.113,170 3.858,171 6.823,172 182.42,173 6.559,174 1.618,175 1.618,176 1.65,177 387,178 -0.048,179 157.917,180 -6.116,181 1.746,182 8.384,183 8.384,184 1.253,185 478.993,186 13,187 6,188 16,189 0.441,190 5.338,191 94.759,192 21.556,193 7.428,194 3.519,195 1.788,196 2.363,197 2.363,198 8.141,199 8.141,200 4.068,201 6.808,202 34.304,203 1,204 3.831,205 7,206 6.216,207 13818,208 5.569}
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{0 CHEMBL309017,1 3.814,2 5.814,3 3.814,5 3.321,6 1.717,7 4.846,8 1,9 0.177,10 10.956,11 10.956,12 10.956,13 29.388,14 0.746,15 6.718,16 6.718,17 0.082,18 4.476,20 1.293,22 4.158,23 4.158,24 2.035,25 2.035,26 3.177,27 3.177,28 5.177,29 3.177,30 62.456,31 5.791,32 10.648,33 3.451,34 74.701,35 103.097,36 1.618,37 0.593,38 1.801,39 7.434,40 8.558,41 4.468,42 4.468,43 7.468,44 4.468,45 70.56,46 2.636,47 36.458,48 79.377,49 1,50 103.097,51 135.332,52 7.162,54 50.29,55 3.298,56 9.966,57 50.29,58 9.217,59 3,61 3.558,62 0.328,63 6.167,64 3.188,65 0.36,66 2.322,67 2.322,68 3.668,69 3.686,70 3.127,71 5.127,72 3.127,73 14.833,74 21.209,76 3.469,77 8.079,78 103.097,80 5,81 4.972,82 19.078,83 2.394,84 18.15,85 2.862,86 52.807,87 0.183,88 3.566,89 6.325,90 6.52,91 1.076,92 1.698,93 1.394,94 4.858,95 0.16,96 5.207,97 26.092,98 1.571,99 3.591,100 1.886,101 1.886,102 51.536,103 2.868,104 484.451,105 5.932,106 70.56,107 2.618,108 16.579,109 30.133,110 72.516,111 72.516,112 2.435,114 210.596,115 505.615,116 1.523,117 7.778,118 0.925,119 2.242,120 2.915,121 6.09,122 5.159,123 20.616,124 1.618,125 1.618,127 4.847,128 1.564,129 1.564,130 8.081,131 9.706,132 5.043,133 43.351,134 34.086,135 1.618,136 47.663,137 52.807,138 0.148,139 5.684,140 366.58,141 157.971,142 0.948,143 5.479,144 1.311,145 36.022,146 3.602,147 3.602,148 1.131,149 0.151,150 1.266,152 2.56,153 0.972,154 18656,155 5.268,156 6.065,157 3.01,159 4.065,160 6.017,161 24.36,162 4,163 1,164 3.02,165 22.717,166 3.551,167 -0.066,168 3,169 5.711,170 3.626,171 5.38,172 36.022,173 5.693,174 0.751,175 0.751,176 0.656,177 116,178 0.064,179 70.333,180 -0.08,181 1.531,182 5.168,183 5.168,184 0.994,185 64.282,186 9,187 1,188 5,189 0.231,190 5.328,191 23.115,192 21.268,193 4.686,194 1.856,195 0.64,196 1.426,197 1.426,198 4.301,199 4.301,200 4.057,201 5.997,202 14.767,203 0.921,204 3.334,205 2,206 5.782,207 1554,208 4.538}
{0 CHEMBL30917,1 3.906,2 5.906,3 3.906,4 1,5 4.407,6 2.802,7 5.872,8 3,9 0.12,10 11.429,11 11.429,12 11.429,13 29.374,14 1.907,15 6.873,16 6.873,17 -0.019,18 5.506,20 1.412,21 0.916,22 4.224,23 4.224,24 2.062,25 2.062,26 3.254,27 3.254,28 5.254,29 3.254,30 117.45,31 6.779,32 11.493,33 3.764,34 147.873,35 206.657,36 2.741,37 0.551,38 2.801,39 7.437,40 9.455,41 4.133,42 4.133,43 7.133,44 4.133,45 144.47,46 3.188,47 36.604,48 205.384,49 1,50 206.657,51 343.021,52 8.102,53 0.85,54 111.58,55 4.336,56 10.826,57 111.58,58 10.095,59 5,60 1,61 3.616,62 1.038,63 6.766,64 3.574,65 1.036,66 2.581,67 2.581,68 3.862,69 12.242,70 3.155,71 5.155,72 3.155,73 28,74 39.116,76 3.758,77 20.775,78 206.657,79 0.86,80 12,81 15.078,82 40.644,83 2.505,84 19.038,85 3.411,86 95.077,87 1.653,88 3.758,89 7.292,90 6.675,91 1.987,92 1.986,93 1.917,94 7.424,95 0.474,96 5.293,97 51.669,98 1.837,99 4.848,100 2.462,101 2.462,102 141.928,103 3.532,104 1006.9,105 6.678,106 144.47,107 3.392,108 31.968,109 61.133,110 160.567,111 160.567,112 3.422,113 1,114 406.249,115 983.007,116 2.33,117 8.696,118 0.989,119 3.06,120 5.292,121 6.73,122 5.394,123 53.996,124 2.413,125 2.413,126 1,127 5.655,128 2.366,129 2.366,130 23.234,131 24.634,132 5.293,133 97.129,134 34.193,135 2.356,136 101.178,137 95.077,138 0.057,139 13.581,140 728.07,141 363.998,142 0.926,143 5.553,144 2.26,145 108.03,146 6.096,147 6.096,148 1.792,149 0.562,150 2.189,152 3.368,153 0.93,154 126707,155 5.438,156 6.697,157 3.458,158 3.991,159 5.137,160 5.941,161 66.126,162 4.7,163 1,164 3.564,165 21.66,166 3.581,167 0.028,168 7,169 11.281,170 3.829,171 5.46,172 72.043,173 6.345,174 1.552,175 1.552,176 1.564,177 505,178 -0.022,179 125.333,180 -0.66,181 1.806,182 6.945,183 6.945,184 1.375,185 152.613,186 15,187 3,188 12,189 0.381,190 5.501,191 63.158,192 20.342,193 4.888,194 2.823,195 1.112,196 2.15,197 2.15,198 6.826,199 6.826,200 3.97,201 6.62,202 50.521,203 0.986,204 3.552,205 4,206 5.684,207 9684,208 6.939}
{0 CHEMBL30919,1 3.888,2 5.888,3 3.888,4 1,5 3.537,6 2.078,7 4.922,8 2,9 0.194,10 11.429,11 11.429,12 11.429,13 29.292,14 0.916,15 6.873,16 6.873,17 -0.078,18 4.589,20 1.346,21 0.254,22 4.222,23 4.222,24 1.988,25 1.988,26 3.254,27 3.254,28 5.254,29 3.254,30 54.995,31 5.799,32 10.353,33 3.492,34 103.824,35 92.56,36 1.703,37 0.476,38 1.926,39 7.434,40 8.377,41 3.959,42 3.959,43 6.959,44 3.959,45 64.68,46 2.733,47 36.597,48 176.207,49 1,50 92.56,51 143.72,52 7.07,53 0.036,54 50.29,55 3.496,56 9.706,57 50.29,58 8.995,59 2,60 1,61 3.535,62 0.729,63 6.326,64 3.348,65 0.616,66 2.228,67 2.228,68 3.704,69 5.107,70 3.15,71 5.15,72 3.15,73 15.833,74 21.794,76 3.505,77 9.841,78 92.56,79 0.172,80 6,81 6.937,82 21.853,83 2.016,84 19.038,85 2.98,86 42.27,87 0.602,88 3.585,89 6.285,90 6.666,91 1.653,92 1.896,93 1.588,94 4.734,95 0.659,96 5.278,97 26.072,98 1.712,99 3.513,100 2.01,101 2.01,102 61.678,103 2.803,104 576.474,105 6.166,106 64.68,107 2.777,108 18.434,109 34.433,110 90.472,111 90.472,112 2.677,113 1,114 232.756,115 559.684,116 1.507,117 7.64,118 1,119 2.28,120 3.082,121 6.245,122 5.011,123 29.467,124 1.782,125 1.782,126 1,127 5.317,128 1.596,129 1.596,130 11.242,131 14.193,132 4.898,133 49.082,134 34.182,135 1.766,136 45.871,137 42.27,138 0.083,139 8.245,140 410.28,141 158.417,142 0.89,143 5.454,144 1.298,145 56.03,146 3.578,147 3.578,148 1.403,149 0.35,150 1.24,152 2.581,153 0.89,154 16785,155 5.081,156 6.229,157 3.097,158 4.205,159 4.196,160 5.94,161 47.912,162 3.2,163 1,164 2.926,165 20.923,166 3.466,167 -0.085,168 4,169 5.836,170 3.66,171 5.938,172 36.022,173 5.745,174 0.458,175 0.458,176 0.931,177 117,178 -0.057,179 66.167,180 -0.429,181 1.647,182 5.642,183 5.642,184 1.439,185 78.683,186 12,187 3,188 6,189 0.331,190 5.159,191 42.601,192 19.629,193 4.311,194 2.139,195 0.733,196 1.416,197 1.416,198 4.787,199 4.787,200 3.935,201 6.061,202 28.114,203 1.011,204 3.217,205 2,206 5.579,207 1617,208 8.161}
{0 CHEMBL30924,1 3.856,2 5.856,3 3.856,5 4.836,6 3.071,7 6.467,8 3,9 0.148,10 12.67,11 12.67,12 12.67,13 29.933,14 1.97,15 7.208,16 7.208,17 0.05,18 5.936,20 1.49,21 1.061,22 4.363,23 4.363,24 2.341,25 2.341,26 3.366,27 3.366,28 5.366,29 3.366,30 188.136,31 7.401,32 12.937,33 3.66,34 250.081,35 225.565,36 2.623,37 0.44,38 2.719,39 7.475,40 10.516,41 3.907,42 3.907,43 6.907,44 3.907,45 144.91,46 3.528,47 38.116,50 225.565,52 8.935,53 0.313,54 168.408,55 4.584,56 12.129,57 168.408,58 11.3,59 5,61 3.763,62 1.633,63 6.796,64 3.592,65 0.993,66 2.521,67 2.521,68 3.867,69 11.688,70 3.357,71 5.357,72 3.357,73 25.25,74 34.813,76 3.672,77 18.094,78 225.565,79 0.588,80 10,81 14.252,82 37.021,83 2.753,84 19.555,85 3.306,86 57.157,87 1.891,88 3.749,89 8.071,90 7.01,91 1.986,92 1.929,93 1.763,94 7.424,95 0.769,96 5.401,97 64.345,98 1.761,99 4.132,100 2.358,101 2.358,102 187.532,103 3.554,104 920.348,105 6.781,106 144.91,107 3.252,108 28.084,109 53.671,110 146.96,111 146.96,112 3.455,113 1,114 352.548,115 851.977,116 2.382,117 9.678,118 1.072,119 3.351,120 6.042,121 6.73,122 4.875,123 77.271,124 2.264,125 2.264,127 5.586,128 2.185,129 2.185,130 20.56,131 27.397,132 4.836,133 94.13,134 35.587,135 2.172,136 136.926,137 57.157,139 13.59,140 640.94,141 280.967,142 0.882,143 5.372,144 2.149,145 93.888,146 5.771,147 5.771,148 1.622,149 0.506,150 2.053,151 0.292,152 3.191,153 0.882,154 67296,155 4.963,156 6.638,157 3.379,158 1.76,159 4.971,160 6.085,161 71.283,162 6.6,164 3.528,165 20.749,166 3.925,167 -0.005,168 11,169 8.228,170 3.826,171 6.581,172 96.716,173 6.244,174 1.181,175 1.181,176 1.262,177 275,178 0.035,179 116.139,180 -2.907,181 1.716,182 6.739,183 6.739,184 1.349,185 221.36,186 18,187 3,188 12,189 0.411,190 5.056,191 71.42,192 19.498,193 7.423,194 3.066,195 1.227,196 1.992,197 1.992,198 6.179,199 6.179,200 3.923,201 6.532,202 32.564,203 0.913,204 3.521,205 5,206 6.049,207 6033,208 5.731}
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{0 CHEMBL316742,1 4.47,2 6.47,3 4.47,4 1,5 6.901,6 4.393,7 9.466,8 7,9 0.345,10 12.24,11 12.24,12 12.24,13 30.24,14 2.189,15 7.248,16 7.248,17 -0.037,18 8.232,20 1.343,21 1.967,22 4.254,23 4.254,24 3.825,25 3.825,26 3.377,27 3.377,28 5.377,29 3.377,30 238.426,31 10.788,32 20.125,33 3.688,34 501.362,35 432.325,36 3.168,37 0.406,38 3.519,39 8.513,40 16.105,41 4.474,42 4.474,43 7.474,44 4.474,45 262.94,46 3.655,47 37.727,50 387.445,52 13.433,53 1.9,54 229.698,55 5.946,56 18.785,57 274.578,58 17.444,59 7,60 1,61 3.869,62 3.029,63 7.291,64 3.817,65 1.044,66 2.844,67 2.844,68 3.898,69 16.641,70 3.048,71 5.048,72 3.048,73 35.667,74 43.821,76 3.701,77 23.292,78 415.54,79 1.928,80 19,81 18.557,82 50.193,83 5.976,84 19.751,85 3.703,86 157.747,87 2,88 3.781,89 12.101,90 7.05,91 2.341,92 1.99,93 1.892,94 7.476,95 0.544,96 5.329,97 91.452,98 1.794,99 4.946,100 2.71,101 2.71,102 358.612,103 3.728,104 1146.52,105 7.374,106 262.94,107 3.554,108 34.766,109 72.843,110 199.042,111 199.042,112 4.231,113 1,114 437.817,115 1060.03,116 3.128,117 14.767,118 1.103,119 3.6,120 7.874,121 7.232,122 5.204,123 248.434,124 2.557,125 2.557,126 2,127 5.807,128 2.54,129 2.54,130 38.467,131 45.58,132 5.13,133 151.107,134 35.257,135 2.544,136 240.509,137 202.628,138 0.095,139 15.125,140 799.86,141 404.644,142 0.912,143 5.522,144 2.727,145 158.275,146 7.616,147 7.616,148 1.756,149 1.623,150 2.654,151 -5.675,152 3.465,153 0.92,154 150257,155 5.209,156 7.059,157 3.493,159 5.655,160 6.447,161 79.361,162 7.9,164 3.773,165 22.681,166 5.528,167 0.048,168 10,169 14.506,170 3.856,171 6.823,172 200.431,173 6.824,174 1.699,175 1.699,176 1.838,177 399,178 -0.053,179 178,180 -7.221,181 1.745,182 8.384,183 8.384,184 1.192,185 578.269,186 13,187 6,188 20,189 0.583,190 5.268,191 96.032,192 21.233,193 7.444,194 3.545,195 2.064,196 2.363,197 2.363,198 7.919,199 7.919,200 4.051,201 6.858,202 41.13,203 1.015,204 3.831,205 7,206 6.216,207 14469,208 5.796}
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{0 CHEMBL317366,1 3.92,2 5.92,3 3.92,4 1,5 4.021,6 2.444,7 5.456,8 3,9 0.208,10 11.144,11 11.144,12 11.144,13 29.303,14 1.653,15 6.785,16 6.785,17 0.014,18 5.111,19 1,20 1.417,21 0.289,22 4.19,23 4.19,24 2.016,25 2.016,26 3.216,27 3.216,28 5.216,29 3.216,30 84.844,31 6.353,32 10.957,33 3.831,34 168.944,35 132.591,36 2.326,37 0.506,38 2.404,39 7.437,40 8.966,41 3.845,42 3.845,43 6.845,44 3.845,45 90.54,46 3.085,47 36.333,48 169.701,50 132.591,52 7.645,53 0.082,54 75.435,55 3.958,56 10.307,57 75.435,58 9.589,59 3,60 1,61 3.596,62 0.945,63 6.692,64 3.52,65 0.732,66 2.626,67 2.626,68 3.917,69 7.908,70 3.135,71 5.135,72 3.135,73 22.167,74 30.846,75 1,76 3.824,77 14.007,78 132.591,79 0.222,80 7,81 9.933,82 30.495,83 2.188,84 18.571,85 3.32,86 57.157,87 0.771,88 3.825,89 6.847,90 6.587,91 1.931,92 1.973,93 1.752,94 4.947,95 0.404,96 5.247,97 40.948,98 1.881,99 4.558,100 2.353,101 2.353,102 108.633,103 3.225,104 769.778,105 6.767,106 90.54,107 3.205,108 24.974,109 45.186,110 118.457,111 118.457,112 3.004,113 1,114 313.123,115 755.781,116 2.17,117 8.221,118 1.066,119 2.936,120 4,121 6.668,122 5.384,123 36.846,124 2.228,125 2.228,126 1,127 5.518,128 2.076,129 2.076,130 13.924,131 21.967,132 5.215,133 70.567,134 33.955,135 2.165,136 72.48,137 57.157,139 9.549,140 554.64,141 243.306,142 0.923,143 5.336,144 2.136,145 64.331,146 5.9,147 5.9,148 1.493,149 0.317,150 1.899,152 3.053,153 0.936,154 44483,155 5.501,156 6.46,157 3.251,158 1.608,159 5.01,160 6.056,161 56.879,162 3.8,164 3.313,165 21.04,166 3.511,167 -0.087,168 11,169 8.685,170 3.887,171 5.38,172 54.032,173 6.047,174 1.181,175 1.181,176 1.078,177 195,178 0.051,179 97.778,180 -1.124,181 1.857,182 6.658,183 6.658,184 1.189,185 153.625,186 16,187 3,188 8,189 0.296,190 5.617,191 60.733,192 19.824,193 4.782,194 2.735,195 1.082,196 1.99,197 1.99,198 6,199 6,200 3.972,201 6.331,202 34.081,203 0.867,204 3.615,205 3,206 5.589,207 4243,208 6.556}
{0 CHEMBL317477,1 3.94,2 5.94,3 3.94,4 1,5 5.262,6 3.488,7 6.881,8 6,9 0.225,10 10.439,11 10.439,12 10.439,13 29.452,14 2.019,15 6.643,16 6.643,17 -0.028,18 6.411,20 1.343,21 1.928,22 4.084,23 4.084,24 2.341,25 2.341,26 3.111,27 3.111,28 5.111,29 3.111,30 238.426,31 7.85,32 13.255,33 3.689,34 388.663,35 372.559,36 2.889,37 0.476,38 3.129,39 7.476,40 10.896,41 4.474,42 4.474,43 7.474,44 4.474,45 254.15,46 3.558,47 35.934,50 372.559,52 9.351,53 1.656,54 229.698,55 5.067,56 12.475,57 229.698,58 11.647,59 7,60 1,61 3.821,62 2.295,63 7.173,64 3.7,65 0.958,66 2.724,67 2.724,68 3.896,69 13.971,70 3.048,71 5.048,72 3.048,73 32,74 42.191,76 3.702,77 22.62,78 355.773,79 1.905,80 16,81 17.722,82 45.442,83 3.081,84 17.776,85 3.57,86 142.861,87 1.976,88 3.78,89 8.467,90 6.445,91 2.189,92 1.995,93 1.884,94 7.43,95 0.354,96 5.137,97 91.192,98 1.795,99 4.935,100 2.575,101 2.575,102 272.413,103 3.631,104 1080.63,105 7.263,106 254.15,107 3.388,108 32.58,109 65.7,110 175.146,111 175.146,112 3.904,113 2,114 415.038,115 1004.45,116 2.742,117 10.052,118 1.077,119 3.552,120 7.211,121 7.09,122 5.142,123 118.201,124 2.391,125 2.391,126 2,127 5.794,128 2.272,129 2.272,130 31.542,131 38.158,132 5.043,133 131.893,134 33.625,135 2.381,136 173.968,137 142.861,138 0.095,139 13.558,140 747.05,141 364.136,142 0.944,143 5.513,144 2.364,145 143.388,146 5.954,147 5.954,148 1.709,149 0.978,150 2.322,152 3.255,153 0.948,154 113021,155 5.118,156 6.901,157 3.436,158 1.002,159 5.11,160 6.172,161 78.073,162 8.3,164 3.598,165 22.593,166 4.044,167 -0.073,168 9,169 13.173,170 3.854,171 6.823,172 182.42,173 6.501,174 1.546,175 1.546,176 1.573,177 348,178 -0.001,179 151,180 -6.143,181 1.746,182 8.014,183 8.014,184 1.388,185 435.048,186 14,187 8,188 17,189 0.517,190 5.118,191 87.996,192 21.143,193 7.429,194 3.532,195 1.494,196 2.193,197 2.193,198 6.774,199 6.774,200 4.05,201 6.717,202 36.815,203 0.951,204 3.712,205 7,206 6.052,207 11394,208 5.284}
{0 CHEMBL317615,1 3.92,2 5.92,3 3.92,4 1,5 4.021,6 2.444,7 5.456,8 3,9 0.246,10 11.144,11 11.144,12 11.144,13 29.373,14 1.653,15 6.785,16 6.785,17 0.043,18 5.111,19 1,20 1.417,21 0.289,22 4.19,23 4.19,24 2.016,25 2.016,26 3.216,27 3.216,28 5.216,29 3.216,30 84.844,31 6.353,32 10.957,33 3.835,34 165.514,35 132.591,36 2.172,37 0.51,38 2.329,39 7.437,40 8.966,41 3.845,42 3.845,43 6.845,44 3.845,45 90.54,46 3.086,47 36.351,48 167.871,50 132.591,52 7.645,53 0.082,54 75.435,55 3.958,56 10.307,57 75.435,58 9.589,59 3,60 1,61 3.6,62 0.945,63 6.718,64 3.522,65 0.735,66 2.627,67 2.627,68 3.921,69 7.587,70 3.135,71 5.135,72 3.135,73 22.167,74 30.346,75 1,76 3.828,77 13.817,78 132.591,79 0.222,80 7,81 9.71,82 30.219,83 2.172,84 18.571,85 3.329,86 57.157,87 0.771,88 3.822,89 6.847,90 6.587,91 1.931,92 2.028,93 1.756,94 4.797,95 0.349,96 5.247,97 41.109,98 1.905,99 4.189,100 2.336,101 2.336,102 107.05,103 3.225,104 774.453,105 6.774,106 90.54,107 3.194,108 24.84,109 45.4,110 115.234,111 115.234,112 3.004,113 1,114 314.383,115 758.854,116 2.137,117 8.221,118 1.081,119 2.891,120 4,121 6.701,122 5.398,123 36.952,124 2.191,125 2.191,126 1,127 5.571,128 2.037,129 2.037,130 13.924,131 21.775,132 5.209,133 70.528,134 33.977,135 2.181,136 65.013,137 57.157,139 9.582,140 556.73,141 242.857,142 0.926,143 5.337,144 1.9,145 64.331,146 5.781,147 5.781,148 1.496,149 0.362,150 1.67,152 3.041,153 0.945,154 41422,155 5.513,156 6.484,157 3.25,158 1.638,159 4.99,160 6.057,161 60.733,162 3.7,164 3.275,165 21.188,166 3.511,167 -0.097,168 11,169 8.815,170 3.89,171 5.38,172 54.032,173 6.044,174 1.345,175 1.345,176 1.13,177 193,178 0.086,179 95.667,180 -1.042,181 1.877,182 6.744,183 6.744,184 1.199,185 146.43,186 16,187 3,188 7,189 0.296,190 5.613,191 60.541,192 19.95,193 4.746,194 2.735,195 1.065,196 1.94,197 1.94,198 5.96,199 5.96,200 3.974,201 6.329,202 33.074,203 0.846,204 3.62,205 3,206 6.051,207 4185,208 7.149}
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{0 CHEMBL318024,1 3.92,2 5.92,3 3.92,4 1,5 4.021,6 2.444,7 5.456,8 3,9 0.246,10 11.144,11 11.144,12 11.144,13 29.303,14 1.653,15 6.785,16 6.785,17 0.016,18 5.111,19 1,20 1.417,21 0.289,22 4.19,23 4.19,24 2.016,25 2.016,26 3.216,27 3.216,28 5.216,29 3.216,30 84.844,31 6.353,32 10.957,33 3.835,34 165.483,35 132.591,36 2.255,37 0.506,38 2.33,39 7.437,40 8.966,41 3.845,42 3.845,43 6.845,44 3.845,45 90.54,46 3.084,47 36.333,48 169.701,50 132.591,52 7.645,53 0.082,54 75.435,55 3.958,56 10.307,57 75.435,58 9.589,59 3,60 1,61 3.596,62 0.946,63 6.699,64 3.52,65 0.744,66 2.626,67 2.626,68 3.921,69 7.781,70 3.135,71 5.135,72 3.135,73 22.167,74 30.346,75 1,76 3.828,77 13.817,78 132.591,79 0.222,80 7,81 9.71,82 30.219,83 2.171,84 18.571,85 3.348,86 57.157,87 0.771,88 3.822,89 6.847,90 6.587,91 1.931,92 2.029,93 1.76,94 4.797,95 0.448,96 5.247,97 41.009,98 1.905,99 4.558,100 2.353,101 2.353,102 106.431,103 3.225,104 774.453,105 6.786,106 90.54,107 3.223,108 24.84,109 45.4,110 115.234,111 115.234,112 3.004,113 1,114 314.383,115 758.854,116 2.167,117 8.221,118 1.095,119 2.735,120 4,121 6.671,122 5.384,123 36.919,124 2.228,125 2.228,126 1,127 5.549,128 2.076,129 2.076,130 13.924,131 21.967,132 5.215,133 70.567,134 33.955,135 2.2,136 66.056,137 57.157,139 9.581,140 556.73,141 243.306,142 0.906,143 5.336,144 2.136,145 64.331,146 5.9,147 5.9,148 1.518,149 0.362,150 1.899,152 3.066,153 0.929,154 41813,155 5.501,156 6.476,157 3.252,158 1.634,159 5.01,160 6.056,161 59.446,162 3.7,164 3.313,165 21.04,166 3.511,167 -0.079,168 11,169 8.769,170 3.89,171 5.38,172 54.032,173 6.046,174 1.181,175 1.181,176 1.13,177 195,178 0.048,179 95.667,180 -1.048,181 1.877,182 6.658,183 6.658,184 1.199,185 159.171,186 16,187 3,188 7,189 0.296,190 5.617,191 61.132,192 19.824,193 4.746,194 2.696,195 1.082,196 1.99,197 1.99,198 6,199 6,200 3.974,201 6.33,202 34.905,203 0.89,204 3.618,205 3,206 5.589,207 4243,208 7.398}
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{0 CHEMBL319882,1 3.922,2 5.922,3 3.922,4 1,5 4.979,6 3.05,7 6.842,8 5,9 0.245,10 11.147,11 11.147,12 11.147,13 29.563,14 1.931,15 6.786,16 6.786,17 -0.049,18 6.306,19 1,20 1.417,21 0.771,22 4.195,23 4.195,24 2.612,25 2.612,26 3.223,27 3.223,28 5.223,29 3.223,30 84.844,31 8.006,32 14.418,33 3.631,34 215.033,35 189.008,36 2.325,37 0.413,38 2.571,39 7.815,40 11.635,41 3.979,42 3.979,43 6.979,44 3.979,45 136.36,46 3.226,47 36.532,48 167.826,50 189.008,52 9.794,53 0.222,54 126.182,55 4.745,56 13.509,57 126.182,58 12.508,59 5,60 1,61 3.78,62 1.205,63 6.776,64 3.639,65 0.726,66 2.679,67 2.679,68 3.844,69 8.333,70 3.138,71 5.138,72 3.138,73 23.083,74 30.441,75 1,76 3.64,77 13.388,78 183.338,79 0.289,80 9,81 9.897,82 31.049,83 2.547,84 18.574,85 3.4,86 62.827,87 1.653,88 3.706,89 8.716,90 6.588,91 2.016,92 1.976,93 1.742,94 7.422,95 0.684,96 5.255,97 62.934,98 1.749,99 4.18,100 2.426,101 2.426,102 141.334,103 3.528,104 783.648,105 6.828,106 136.36,107 3.241,108 24.295,109 46.333,110 122.03,111 122.03,112 3.446,113 2,114 304.048,115 733.638,116 2.168,117 10.605,118 1.138,119 3.112,120 4.899,121 6.682,122 5.333,123 72.08,124 2.247,125 2.247,126 1,127 5.537,128 2.041,129 2.041,130 19.149,131 26.72,132 5.204,133 78.188,134 34.166,135 2.228,136 85.453,137 62.827,139 9.708,140 544.65,141 235.714,142 0.879,143 5.34,144 1.903,145 64.331,146 5.787,147 5.787,148 1.514,149 0.454,150 1.823,151 -0.492,152 3.04,153 0.891,154 41402,155 5.442,156 6.576,157 3.241,158 1.562,159 5.05,160 6.422,161 58.753,162 6.3,164 3.42,165 21.372,166 4.612,167 0.059,168 12,169 8.369,170 3.79,171 5.38,172 54.032,173 6.155,174 1.161,175 1.161,176 1.147,177 188,178 -0.026,179 103.583,180 -1.348,181 1.69,182 7.074,183 7.074,184 1.274,185 200.897,186 12,187 3,188 10,189 0.426,190 5.521,191 65.643,192 20.081,193 6.999,194 3.052,195 1.35,196 1.98,197 1.98,198 6.581,199 6.581,200 3.969,201 6.395,202 36.589,203 1.011,204 3.666,205 3,206 6.057,207 3866,208 8}
{0 CHEMBL319913,1 3.94,2 5.94,3 3.94,4 1,5 5.178,6 3.456,7 6.754,8 5,9 0.213,10 10.439,11 10.439,12 10.439,13 29.652,14 1.985,15 6.643,16 6.643,17 -0.061,18 6.274,20 1.343,21 1.909,22 4.138,23 4.138,24 2.341,25 2.341,26 3.139,27 3.139,28 5.139,29 3.139,30 243.131,31 7.679,32 13.048,33 3.716,34 405.237,35 361.559,36 2.984,37 0.465,38 3.13,39 7.476,40 10.686,41 4.474,42 4.474,43 7.474,44 4.474,45 244.92,46 3.564,47 36.206,50 361.559,52 9.155,53 1.656,54 218.698,55 4.971,56 12.26,57 218.698,58 11.445,59 7,60 1,61 3.819,62 2.166,63 7.226,64 3.7,65 1.045,66 2.83,67 2.83,68 3.906,69 15.639,70 3.137,71 5.137,72 3.137,73 34.25,74 44.691,76 3.721,77 23.121,78 344.773,79 1.886,80 15,81 18.362,82 48.446,83 3.068,84 17.776,85 3.706,86 142.861,87 1.938,88 3.786,89 8.305,90 6.445,91 2.019,92 2.024,93 1.904,94 7.429,95 0.578,96 5.191,97 92.835,98 1.815,99 4.956,100 2.714,101 2.714,102 312.536,103 3.631,104 1179.86,105 7.339,106 244.92,107 3.565,108 35.379,109 69.433,110 185.587,111 185.587,112 3.852,113 1,114 449.411,115 1088.32,116 2.889,117 9.865,118 1.171,119 3.552,120 7.616,121 7.121,122 5.193,123 110.978,124 2.566,125 2.566,126 1,127 5.868,128 2.39,129 2.39,130 30.52,131 42.669,132 5.1,133 143.166,134 33.895,135 2.557,136 173.097,137 142.861,138 0.095,139 15.134,140 807.46,141 387.356,142 0.913,143 5.514,144 2.742,145 145.923,146 6.774,147 6.774,148 1.773,149 0.721,150 2.363,151 -0.396,152 3.388,153 0.916,154 121877,155 5.204,156 6.981,157 3.497,158 1.02,159 5.302,160 6.447,161 85.233,162 6.7,164 3.699,165 22.599,166 3.925,167 0.057,168 11,169 13.686,170 3.863,171 6.823,172 182.42,173 6.523,174 1.595,175 1.595,176 1.721,177 372,178 -0.052,179 154.25,180 -5.462,181 1.767,182 8.55,183 8.55,184 1.372,185 457.571,186 12,187 7,188 16,189 0.477,190 5.236,191 102.675,192 21.15,193 7.427,194 3.533,195 1.847,196 2.272,197 2.272,198 8.008,199 8.008,200 4.052,201 6.802,202 37.109,203 1.027,204 3.809,205 7,206 6.17,207 12990,208 5.284}
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{0 CHEMBL331315,1 3.922,2 5.922,3 3.922,4 1,5 4.018,6 2.444,7 5.452,8 3,9 0.224,10 11.617,11 11.617,12 11.617,13 29.595,14 1.653,15 6.912,16 6.912,17 -0.073,18 5.107,19 1,20 1.353,21 0.63,22 4.254,23 4.254,24 2.013,25 2.013,26 3.277,27 3.277,28 5.277,29 3.277,30 84.844,31 6.348,32 10.946,33 3.61,34 170.093,35 132.591,36 2.21,37 0.489,38 2.319,39 7.437,40 8.958,41 3.999,42 3.999,43 6.999,44 3.999,45 90.54,46 3.085,47 36.967,48 110.355,49 1,50 132.591,51 182.409,52 7.638,53 0.148,54 75.435,55 3.956,56 10.297,57 75.435,58 9.58,59 3,60 1,61 3.64,62 0.878,63 6.606,64 3.53,65 0.527,66 2.558,67 2.558,68 3.826,69 6.981,70 3.205,71 5.205,72 3.205,73 19.917,74 27.079,75 1,76 3.611,77 11.471,78 132.591,79 0.265,80 7,81 8.33,82 26.869,83 2.209,84 19.232,85 3.248,86 57.157,87 0.68,88 3.662,89 6.841,90 6.714,91 1.931,92 1.955,93 1.627,94 4.946,95 0.666,96 5.312,97 39.808,98 1.743,99 4.008,100 2.263,101 2.263,102 100.488,103 3.355,104 684.708,105 6.584,106 90.54,107 3.129,108 21.88,109 39.786,110 106.731,111 106.731,112 3.023,113 1,114 271.745,115 654.817,116 1.94,117 8.213,118 1.081,119 2.964,120 4.528,121 6.524,122 5.278,123 38.582,124 2.148,125 2.148,126 1,127 5.309,128 1.933,129 1.933,130 14.711,131 21.585,132 5.136,133 64.119,134 34.549,135 2.077,136 72.849,137 57.157,138 0.087,139 8.466,140 482.02,141 199.574,142 0.884,143 5.462,144 1.699,145 61.797,146 5.369,147 5.369,148 1.308,149 0.307,150 1.38,151 -0.452,152 2.924,153 0.891,154 29398,155 5.371,156 6.392,157 3.141,158 1.476,159 4.837,160 6.356,161 46.49,162 4.4,164 3.254,165 21.147,166 3.508,167 0.144,168 9,169 8.525,170 3.768,171 5.46,172 54.032,173 5.937,174 1,175 1,176 0.964,177 152,178 -0.071,179 86.861,180 -1.162,181 1.684,182 6.466,183 6.466,184 1.269,185 158.578,186 9,187 3,188 8,189 0.368,190 5.464,191 49.153,192 19.867,193 4.795,194 2.771,195 1.155,196 1.775,197 1.775,198 5.864,199 5.864,200 3.985,201 6.247,202 32.32,203 1.013,204 3.531,205 3,206 5.95,207 2710,208 8.367}
{0 CHEMBL331368,1 3.856,2 5.856,3 3.856,4 1,5 3.523,6 2.029,7 4.918,8 2,9 0.196,10 10.372,11 10.372,12 10.372,13 28.81,14 0.602,15 6.555,16 6.555,17 -0.044,18 4.582,20 1.359,21 0.036,22 4.087,23 4.087,24 1.988,25 1.988,26 3.102,27 3.102,28 5.102,29 3.102,30 54.995,31 5.797,32 10.353,33 3.536,34 106.086,35 106.221,36 1.696,37 0.494,38 1.847,39 7.434,40 8.376,41 4.474,42 4.474,43 7.474,44 4.474,45 77.23,46 2.48,47 35.384,50 106.221,52 7.069,54 50.29,55 3.467,56 9.706,57 50.29,58 8.995,59 2,60 1,61 3.528,62 0.772,63 6.324,64 3.136,65 0.848,66 2.155,67 2.155,68 3.739,69 8.379,70 3.055,71 5.055,72 3.055,73 18.5,74 25.545,76 3.513,77 14.277,78 89.436,80 5,81 11.117,82 27.253,83 2.076,84 17.326,85 2.884,86 55.931,87 0.254,88 3.557,89 6.284,90 6.474,91 1.653,92 1.971,93 1.695,94 4.941,95 0.938,96 5.14,97 26.696,98 1.699,99 3.576,100 1.924,101 1.924,102 91.653,103 2.936,104 693.189,105 6.447,106 77.23,107 2.757,108 21.535,109 39.419,110 106.879,111 106.879,112 2.567,113 1,114 274.332,115 661.13,116 1.546,117 7.64,118 0.947,119 2.39,120 5.05,121 6.295,122 4.736,123 32.87,124 1.774,125 1.774,126 1,127 5.259,128 1.683,129 1.683,130 9.065,131 18.027,132 4.663,133 69.705,134 33.074,135 1.678,136 52.65,137 55.931,138 0.133,139 9.835,140 476.21,141 188.594,142 0.848,143 5.488,144 1.518,145 61.099,146 3.74,147 3.74,148 1.542,149 0.335,150 1.199,152 2.68,153 0.848,154 25469,155 4.745,156 6.185,157 3.207,158 1.938,159 4.18,160 5.542,161 46.592,162 2.8,164 3.025,165 22.523,166 3.466,167 -0.02,168 8,169 5.784,170 3.666,171 6.823,172 52.807,173 5.848,174 0.831,175 0.831,176 1.017,177 142,178 -0.064,179 76.111,180 -0.443,181 1.631,182 5.603,183 5.603,184 1.392,185 104.876,186 10,187 2,188 7,189 0.245,190 4.82,191 58.818,192 21.054,193 4.387,194 2.232,195 0.66,196 1.546,197 1.546,198 4.796,199 4.796,200 4.048,201 6.086,202 20.149,203 1.016,204 3.1,205 2,206 5.348,207 2872,208 5}
{0 CHEMBL331394,1 3.943,2 5.943,3 3.943,5 5.262,6 3.506,7 6.872,8 5,9 0.182,10 10.565,11 10.565,12 10.565,13 29.364,14 2.017,15 6.664,16 6.664,17 -0.058,18 6.403,20 1.335,21 1.933,22 4.118,23 4.118,24 2.341,25 2.341,26 3.141,27 3.141,28 5.141,29 3.141,30 247.836,31 7.835,32 13.219,33 3.567,34 372.065,35 358.434,36 2.727,37 0.474,38 3.133,39 7.476,40 10.867,41 4.474,42 4.474,43 7.474,44 4.474,45 246.88,46 3.604,47 35.94,50 358.434,52 9.328,53 1.706,54 218.698,55 5.062,56 12.44,57 218.698,58 11.615,59 7,61 3.824,62 1.994,63 7.051,64 3.728,65 0.883,66 2.605,67 2.605,68 3.801,69 11.907,70 3.072,71 5.072,72 3.072,73 27.833,74 36.087,76 3.59,77 18.958,78 341.649,79 1.901,80 14,81 15.105,82 39.04,83 3.065,84 17.974,85 3.414,86 139.736,87 1.98,88 3.695,89 8.449,90 6.523,91 2.161,92 1.877,93 1.785,94 7.431,95 0.386,96 5.17,97 89.06,98 1.704,99 4.315,100 2.392,101 2.392,102 265.103,103 3.662,104 928.175,105 7.239,106 246.88,107 3.364,108 27.44,109 56.133,110 150.213,111 150.213,112 3.891,113 1,114 353.276,115 853.754,116 2.492,117 10.026,118 1.049,119 3.52,120 6.928,121 6.982,122 5.056,123 112.544,124 2.359,125 2.359,127 5.64,128 2.064,129 2.064,130 30.708,131 34.013,132 4.956,133 120.756,134 33.621,135 2.363,136 197.4,137 139.736,138 0.133,139 11.927,140 637.34,141 291.901,142 0.938,143 5.513,144 2.264,145 140.693,146 6.042,147 6.042,148 1.713,149 0.678,150 2.098,152 3.073,153 0.941,154 69804,155 5.017,156 6.818,157 3.412,158 1.131,159 5.146,160 6.164,161 66.389,162 8.7,163 1,164 3.451,165 22.521,166 4.032,167 -0.025,168 11,169 7.446,170 3.763,171 6.823,172 179.295,173 6.349,174 1.488,175 1.488,176 1.338,177 268,178 -0.051,179 133.167,180 -6.377,181 1.661,182 6.626,183 6.626,184 1.357,185 446.939,186 14,187 6,188 15,189 0.602,190 5.03,191 84.83,192 21.054,193 7.425,194 3.325,195 1.374,196 2.008,197 2.008,198 6.497,199 6.497,200 4.049,201 6.623,202 27.168,203 1.035,204 3.602,205 7,206 6.004,207 6182,208 4.642}
{0 CHEMBL331405,1 4.111,2 6.111,3 4.111,4 1,5 5.09,6 3.119,7 6.983,8 6,9 0.216,10 13.186,11 13.186,12 13.186,13 30.5,14 1.768,15 7.309,16 7.309,17 -0.098,18 6.424,19 3,20 1.719,21 0.708,22 4.476,23 4.476,24 2.612,25 2.612,26 3.487,27 3.487,28 5.487,29 3.487,30 84.844,31 8.145,32 14.528,33 3.763,34 165.263,35 174.122,36 2.514,37 0.39,38 2.569,39 7.815,40 11.768,41 4.05,42 4.05,43 7.05,44 4.05,45 127.57,46 3.421,47 38.956,48 120.64,49 1,50 174.122,51 201.904,52 9.935,53 0.259,54 126.182,55 4.823,56 13.627,57 126.182,58 12.636,59 5,60 1,61 3.78,62 1.092,63 6.742,64 3.6,65 0.947,66 2.699,67 2.699,68 3.86,69 5.267,70 3.457,71 5.457,72 3.457,73 21.25,74 29.717,75 3,76 3.757,77 10.985,78 168.452,79 0.506,80 9,81 7.13,82 27.908,83 2.847,84 20.865,85 3.512,86 47.94,87 1.652,88 3.757,89 8.865,90 7.111,91 2.3,92 1.958,93 1.691,94 7.412,95 0.816,96 5.542,97 64.535,98 1.835,99 4.807,100 2.515,101 2.515,102 103.668,103 3.539,104 706.999,105 6.703,106 127.57,107 3.374,108 23.648,109 45.833,110 118.693,111 118.693,112 3.478,113 3,114 291.46,115 702.924,116 2,117 10.749,118 1.129,119 3.101,120 4.301,121 6.697,122 5.869,123 69.268,124 2.402,125 2.402,126 1,127 5.453,128 2.146,129 2.146,130 19.747,131 19.764,132 5.707,133 57.634,134 36.403,135 2.323,136 82.509,137 47.94,138 0.424,139 10.764,140 524.87,141 241.06,142 0.857,143 5.594,144 2,145 59.583,146 6.35,147 6.35,148 1.489,149 0.438,150 1.998,151 -0.016,152 3.135,153 0.869,154 43253,155 5.966,156 6.661,157 3.185,158 3.243,159 5.313,160 6.42,161 50.753,162 6.6,163 3,164 3.482,165 21.685,166 4.612,167 0.179,168 10,169 5.193,170 3.827,171 5.533,172 36.022,173 6.156,174 1.32,175 1.32,176 1.138,177 187,178 -0.092,179 102.417,180 -1.868,181 1.805,182 7.878,183 7.878,184 1.214,185 178.749,186 18,187 4,188 10,189 0.403,190 6.157,191 60.723,192 20.357,193 6.999,194 2.605,195 1.234,196 2,197 2,198 7,199 7,200 4.023,201 6.45,202 30.138,203 1.068,204 3.68,205 3,206 6.264,207 3915,208 8.72}
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{0 CHEMBL331929,1 4.108,2 6.108,3 4.108,4 1,5 4.287,6 2.566,7 5.928,8 4,9 0.234,10 12.203,11 12.203,12 12.203,13 29.736,14 1.652,15 7.082,16 7.082,17 -0.02,18 5.457,20 1.251,21 0.506,22 4.316,23 4.316,24 2.3,25 2.3,26 3.355,27 3.355,28 5.355,29 3.355,30 84.844,31 6.928,32 12.51,33 3.762,34 139.391,35 117.705,36 1.856,37 0.563,38 2.064,39 7.445,40 10.081,41 4.048,42 4.048,43 7.048,44 4.048,45 81.75,46 2.723,47 37.576,48 105.977,49 1,50 117.705,51 176.144,52 8.48,53 0.067,54 75.435,55 4.121,56 11.709,57 75.435,58 10.854,59 3,60 1,61 3.572,62 0.833,63 6.565,64 3.535,65 0.34,66 2.504,67 2.504,68 3.858,69 5.46,70 3.221,71 5.221,72 3.221,73 18.167,74 25.614,76 3.756,77 11.212,78 117.705,79 0.259,80 7,81 7.409,82 24.448,83 2.757,84 19.879,85 3.163,86 42.27,87 0.708,88 3.756,89 7.563,90 6.884,91 1.768,92 1.956,93 1.613,94 4.816,95 0.476,96 5.377,97 40.826,98 1.833,99 3.613,100 2.176,101 2.176,102 78.63,103 3.118,104 612.798,105 6.467,106 81.75,107 3.051,108 20.08,109 37.6,110 94.396,111 94.396,112 3.053,113 2,114 256.829,115 618.422,116 1.678,117 9.204,118 0.921,119 2.573,120 3.464,121 6.478,122 5.352,123 27.184,124 2.048,125 2.048,126 1,127 5.209,128 1.617,129 1.617,130 14.522,131 13.234,132 5.215,133 56.085,134 35.092,135 2.038,136 57.239,137 42.27,138 0.069,139 7.125,140 452.93,141 198.874,142 0.877,143 5.524,144 1.567,145 46.91,146 3.859,147 3.859,148 1.259,149 0.277,150 1.519,152 2.604,153 0.92,154 29004,155 5.468,156 6.398,157 3.098,158 3.097,159 4.49,160 6.266,161 38.492,162 4.8,163 3,164 3.003,165 21.242,166 3.993,167 -0.03,168 7,169 5.345,170 3.826,171 5.533,172 36.022,173 5.888,174 1,175 1,176 0.888,177 149,178 -0.032,179 85.667,180 -1.663,181 1.804,182 6.379,183 6.379,184 1.217,185 106.742,186 19,187 4,188 7,189 0.354,190 5.58,191 41.443,192 19.965,193 4.763,194 2.535,195 0.73,196 1.499,197 1.499,198 5.434,199 5.434,200 3.943,201 6.19,202 26.991,203 1.003,204 3.502,205 3,206 5.484,207 2675,208 8.08}
{0 CHEMBL331971,1 4.111,2 6.111,3 4.111,4 1,5 4.287,6 2.566,7 5.928,8 4,9 0.18,10 12.323,11 12.323,12 12.323,13 29.958,14 1.652,15 7.113,16 7.113,17 -0.155,18 5.457,20 1.344,21 0.506,22 4.332,23 4.332,24 2.3,25 2.3,26 3.373,27 3.373,28 5.373,29 3.373,30 84.844,31 6.928,32 12.51,33 3.673,34 183.423,35 132.665,36 1.911,37 0.52,38 2.259,39 8.201,40 10.081,41 4.088,42 4.088,43 7.088,44 4.088,45 81.75,46 3.094,47 37.773,48 103.494,49 1,50 117.705,51 171.932,52 8.48,53 0.067,54 75.435,55 4.121,56 11.709,57 90.395,58 10.854,59 3,60 1,61 3.591,62 1.135,63 6.675,64 3.535,65 0.469,66 2.558,67 2.558,68 3.823,69 5.835,70 3.234,71 5.234,72 3.234,73 19.417,74 25.001,76 3.657,77 10.611,78 132.665,79 0.259,80 8,81 7.533,82 25.557,83 2.902,84 20.077,85 3.331,86 42.27,87 0.708,88 3.638,89 7.563,90 6.915,91 1.768,92 1.94,93 1.56,94 7.412,95 0.697,96 5.393,97 40.556,98 1.787,99 3.621,100 2.371,101 2.371,102 108.253,103 3.2,104 638.625,105 6.619,106 81.75,107 3.063,108 20.494,109 38.914,110 103.212,111 103.212,112 3.053,113 2,114 255.018,115 614.003,116 1.794,117 9.204,118 1.082,119 2.943,120 4.243,121 6.607,122 5.323,123 37.706,124 2.063,125 2.063,126 1,127 5.25,128 1.624,129 1.624,130 14.522,131 20.635,132 5.198,133 61.343,134 35.289,135 2.047,136 68.744,137 57.23,138 0.087,139 7.928,140 455.58,141 190.786,142 0.86,143 5.552,144 1.58,145 46.91,146 4.284,147 4.284,148 1.308,149 0.337,150 1.519,151 -0.093,152 2.599,153 0.884,154 25852,155 5.412,156 6.51,157 3.076,158 2.68,159 4.602,160 6.387,161 42.871,162 4.6,163 3,164 2.997,165 21.442,166 3.993,167 0.214,168 5,169 5.177,170 3.771,171 5.533,172 36.022,173 5.929,174 1,175 1,176 1.007,177 138,178 -0.131,179 88.917,180 -2.055,181 1.739,182 7.351,183 7.351,184 1.223,185 163.797,186 17,187 4,188 8,189 0.372,190 5.481,191 51.757,192 20.122,193 4.783,194 2.535,195 1.104,196 1.414,197 1.414,198 5.514,199 5.514,200 3.934,201 6.302,202 25.141,203 1.109,204 3.538,205 3,206 6.264,207 2412,208 9.02}
{0 CHEMBL331975,1 4.108,2 6.108,3 4.108,4 1,5 4.291,6 2.595,7 5.929,8 4,9 0.21,10 12.204,11 12.204,12 12.204,13 29.911,14 1.652,15 7.082,16 7.082,17 -0.097,18 5.458,20 1.344,21 0.708,22 4.319,23 4.319,24 2.3,25 2.3,26 3.357,27 3.357,28 5.357,29 3.357,30 84.844,31 6.929,32 12.51,33 3.673,34 149.927,35 120.829,36 2.066,37 0.509,38 2.406,39 7.445,40 10.081,41 4.048,42 4.048,43 7.048,44 4.048,45 84.99,46 3.074,47 37.624,48 112.816,49 1,50 120.829,51 188.27,52 8.48,53 0.259,54 75.435,55 4.129,56 11.709,57 75.435,58 10.854,59 3,60 1,61 3.572,62 0.974,63 6.636,64 3.536,65 0.766,66 2.697,67 2.697,68 3.822,69 6.506,70 3.225,71 5.225,72 3.225,73 20.75,74 27.449,76 3.657,77 11.483,78 120.829,79 0.506,80 8,81 8.318,82 27.526,83 2.75,84 19.88,85 3.365,86 45.394,87 0.8,88 3.639,89 7.563,90 6.884,91 1.768,92 1.951,93 1.687,94 4.81,95 0.86,96 5.384,97 41.127,98 1.788,99 3.759,100 2.403,101 2.403,102 100.271,103 3.138,104 707.844,105 6.576,106 84.99,107 3.157,108 22.564,109 41.4,110 108.761,111 108.761,112 3.098,113 2,114 279.799,115 674.468,116 1.855,117 9.204,118 1.129,119 2.999,120 4.583,121 6.574,122 5.308,123 37.542,124 2.17,125 2.17,126 1,127 5.378,128 1.958,129 1.958,130 16.122,131 23.394,132 5.22,133 66.942,134 35.151,135 2.136,136 52.647,137 45.394,138 0.087,139 8.463,140 495.11,141 206.391,142 0.848,143 5.531,144 1.662,145 46.91,146 5.315,147 5.315,148 1.404,149 0.395,150 1.488,151 -0.039,152 2.947,153 0.861,154 28979,155 5.412,156 6.529,157 3.13,158 5.06,159 4.808,160 6.373,161 50.284,162 4.1,163 3,164 3.331,165 21.339,166 3.993,167 0.16,168 5,169 5.446,170 3.77,171 5.533,172 36.022,173 5.949,174 1,175 1,176 1.074,177 156,178 -0.107,179 86.917,180 -1.631,181 1.739,182 7.002,183 7.002,184 1.459,185 132.954,186 13,187 4,188 8,189 0.393,190 5.481,191 55.706,192 20.036,193 4.759,194 2.582,195 1.21,196 1.59,197 1.59,198 6.382,199 6.382,200 3.936,201 6.293,202 31.701,203 1.091,204 3.673,205 3,206 6.264,207 2952,208 9.52}
{0 CHEMBL33200,1 3.864,2 5.864,3 3.864,5 4.796,6 2.931,7 6.548,8 2,9 0.145,10 12.67,11 12.67,12 12.67,13 30,14 1.907,15 7.208,16 7.208,17 0.014,18 5.925,20 1.49,21 0.745,22 4.363,23 4.363,24 2.459,25 2.459,26 3.366,27 3.366,28 5.366,29 3.366,30 158.287,31 7.524,32 13.555,33 3.609,34 241.392,35 182.409,36 2.382,37 0.434,38 2.623,39 7.475,40 10.925,41 3.907,42 3.907,43 6.907,44 3.907,45 115.81,46 3.351,47 38.134,50 182.409,52 9.201,53 0.068,54 143.263,55 4.467,56 12.678,57 143.263,58 11.785,59 4,61 3.849,62 1.487,63 6.697,64 3.554,65 0.825,66 2.362,67 2.362,68 3.804,69 7.82,70 3.357,71 5.357,72 3.357,73 20.917,74 28.993,76 3.617,77 13.276,78 182.409,79 0.588,80 8,81 10.055,82 29.539,83 2.859,84 19.555,85 3.26,86 39.146,87 1.061,88 3.691,89 8.283,90 7.01,91 1.986,92 1.884,93 1.698,94 7.423,95 0.833,96 5.401,97 51.271,98 1.701,99 3.882,100 2.291,101 2.291,102 131.551,103 3.536,104 742.533,105 6.5,106 115.81,107 3.068,108 23.14,109 43.605,110 118.524,111 118.524,112 3.299,113 1,114 287.131,115 692.359,116 2.055,117 10.027,118 1.092,119 3.066,120 5.244,121 6.455,122 4.796,123 67.597,124 2.072,125 2.072,127 5.373,128 1.974,129 1.974,130 17.626,131 22.407,132 4.754,133 69.874,134 35.609,135 2.047,136 114.129,137 39.146,139 10.765,140 519.99,141 218.146,142 0.865,143 5.372,144 1.805,145 63.633,146 5.216,147 5.216,148 1.448,149 0.437,150 1.787,151 0.316,152 2.939,153 0.865,154 39451,155 4.86,156 6.495,157 3.153,158 1.765,159 4.852,160 6.405,161 58.7,162 6.9,164 3.232,165 20.842,166 4.108,167 0.016,168 8,169 5.294,170 3.762,171 6.581,172 78.705,173 6.057,174 1,175 1,176 0.991,177 179,178 0.029,179 97.472,180 -2.514,181 1.656,182 6.235,183 6.235,184 1.284,185 166.598,186 13,187 3,188 10,189 0.42,190 4.934,191 52.67,192 19.58,193 6.351,194 2.768,195 1.104,196 1.879,197 1.879,198 5.889,199 5.889,200 3.92,201 6.359,202 24.636,203 0.92,204 3.325,205 4,206 6.085,207 3705,208 6.409}
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{0 CHEMBL73522,1 3.907,2 5.907,3 3.907,5 3.396,6 1.784,7 4.939,8 1,9 0.067,10 11.571,11 11.571,12 11.571,13 29.613,14 0.802,15 6.91,16 6.91,17 -0.032,18 4.539,20 1.165,21 0.047,22 4.245,23 4.245,24 2.06,25 2.06,26 3.275,27 3.275,28 5.275,29 3.275,30 62.456,31 5.88,32 10.829,33 3.448,34 81.369,35 119.956,36 1.776,37 0.578,38 1.782,39 8.201,40 8.698,41 4.425,42 4.425,43 7.425,44 4.425,45 77.56,46 2.882,47 36.88,48 83.926,49 1,50 104.996,51 142.048,52 7.277,54 50.29,55 3.341,56 10.131,57 65.25,58 9.375,59 3,61 3.555,62 0.546,63 6.221,64 3.31,65 0.345,66 2.404,67 2.404,68 3.677,69 3.627,70 3.174,71 5.174,72 3.174,73 16,74 21.372,76 3.475,77 8.064,78 103.171,80 6,81 5.082,82 20.166,83 2.555,84 19.253,85 3.109,86 54.706,87 0.487,88 3.576,89 6.439,90 6.595,91 1.084,92 1.748,93 1.482,94 4.957,95 0.093,96 5.311,97 26.183,98 1.645,99 3.81,100 2.168,101 2.168,102 65.843,103 2.923,104 489.541,105 6.141,106 77.56,107 2.607,108 17.172,109 32.348,110 82.487,111 82.487,112 2.49,113 1,114 211.924,115 508.854,116 1.594,117 7.914,118 0.951,119 2.656,120 3.082,121 6.305,122 5.263,123 21.848,124 1.632,125 1.632,127 4.919,128 1.532,129 1.532,130 8.961,131 14.181,132 5.13,133 45.399,134 34.467,135 1.589,136 55.136,137 69.666,138 0.154,139 6.018,140 368.99,141 164.344,142 0.977,143 5.513,144 1.532,145 21.135,146 4.281,147 4.281,148 1.207,149 0.256,150 1.311,152 2.515,153 0.984,154 20950,155 5.328,156 6.227,157 2.944,158 1.433,159 4.414,160 6.34,161 26.463,162 3.9,163 1,164 3.032,165 22.724,166 3.579,167 -0.096,168 3,169 2.699,170 3.636,171 7.066,172 34.796,173 5.777,174 0.675,175 0.675,176 0.806,177 120,178 0.004,179 78,180 -0.595,181 1.605,182 6.675,183 6.675,184 1.049,185 107.635,186 11,187 2,188 7,189 0.249,190 5.416,191 26.134,192 21.284,193 4.834,194 1.997,195 0.819,196 1.478,197 1.478,198 4.312,199 4.312,200 4.039,201 6.125,202 17.021,203 0.976,204 3.406,205 2,206 6.041,207 1702,208 6.721}
{0 CHEMBL73535,1 3.864,2 5.864,3 3.864,5 4.436,6 2.67,7 6.04,8 4,9 0.276,10 10.95,11 10.95,12 10.95,13 29.581,14 1.937,15 6.716,16 6.716,17 -0.046,18 5.655,20 1.241,21 0.403,22 4.148,23 4.148,24 2.19,25 2.19,26 3.171,27 3.171,28 5.171,29 3.171,30 87.601,31 7.054,32 12.158,33 3.584,34 171.357,35 174.038,36 2.229,37 0.505,38 2.326,39 7.439,40 9.962,41 4.474,42 4.474,43 7.474,44 4.474,45 124.68,46 3.168,47 36.496,48 122.96,49 1,50 174.038,51 209.946,52 8.495,53 0.114,54 86.435,55 4.33,56 11.448,57 86.435,58 10.639,59 4,61 3.77,62 1.097,63 6.594,64 3.633,65 0.577,66 2.596,67 2.596,68 3.815,69 6.567,70 3.099,71 5.099,72 3.099,73 20.75,74 28.277,76 3.6,77 11.567,78 157.252,79 0.216,80 8,81 7.945,82 27.475,83 2.569,84 18.13,85 3.468,86 87.603,87 0.794,88 3.704,89 7.59,90 6.518,91 2.048,92 1.947,93 1.758,94 4.973,95 0.61,96 5.227,97 39.707,98 1.725,99 4.088,100 2.487,101 2.487,102 93.71,103 3.188,104 689.066,105 6.636,106 124.68,107 3.05,108 22.525,109 42.367,110 109.862,111 109.862,112 3.191,113 1,114 280.139,115 675.299,116 1.863,117 9.118,118 1.056,119 3.128,120 4.848,121 6.464,122 5.328,123 50.161,124 2.066,125 2.066,126 1,127 5.251,128 1.966,129 1.966,130 15.403,131 20.919,132 5.204,133 63.333,134 34.144,135 1.998,136 85.947,137 87.603,138 0.154,139 8.689,140 492.66,141 222.212,142 0.895,143 5.497,144 1.8,145 56.567,146 5.612,147 5.612,148 1.32,149 0.438,150 1.546,151 -0.756,152 2.962,153 0.901,154 36907,155 5.398,156 6.414,157 3.223,159 4.893,160 6.447,161 42.209,162 5.6,163 1,164 3.377,165 22.739,166 3.892,167 0.096,168 6,169 8.315,170 3.778,171 7.034,172 70.818,173 6.052,174 1.138,175 1.138,176 1.035,177 181,178 -0.086,179 93.583,180 -1.236,181 1.681,182 7.848,183 7.848,184 1.222,185 179.941,186 12,187 3,188 9,189 0.35,190 5.497,191 49.698,192 21.287,193 4.876,194 2.641,195 1.168,196 1.876,197 1.876,198 5.926,199 5.926,200 4.05,201 6.323,202 24.439,203 1.04,204 3.584,205 3,206 6.131,207 3290,208 4}
{0 CHEMBL73561,1 4.46,2 6.46,3 4.46,5 6.722,6 3.991,7 9.399,8 1,9 0.316,10 11.658,11 11.658,12 11.658,13 29.999,14 1.076,15 7.111,16 7.111,17 0.008,18 8.085,20 1.156,21 0.183,22 4.184,23 4.184,24 3.825,25 3.825,26 3.315,27 3.315,28 5.315,29 3.315,30 62.456,31 10.741,32 20.125,33 3.396,34 190.707,35 162.937,36 1.698,37 0.458,38 1.975,39 8.513,40 16.1,41 4.16,42 4.16,43 7.16,44 4.16,45 70.56,46 2.873,47 37.304,48 91.485,49 1,50 103.097,51 155.222,52 13.418,54 50.29,55 5.529,56 18.783,57 110.13,58 17.441,59 3,61 3.813,62 1.108,63 6.26,64 3.525,65 0.218,66 2.517,67 2.517,68 3.651,69 4.528,70 3.125,71 5.125,72 3.125,73 17.083,74 19.51,76 3.431,77 8.47,78 162.937,80 9,81 5.712,82 21.578,83 5.791,84 19.023,85 2.985,86 52.807,87 0.746,88 3.564,89 12.077,90 6.796,91 2.035,92 1.649,93 1.327,94 7.999,95 0.271,96 5.233,97 25.315,98 1.539,99 3.715,100 2.032,101 2.032,102 94.011,103 3.309,104 474.222,105 6.055,106 70.56,107 2.77,108 16.281,109 34.09,110 83.666,111 83.666,112 3.442,114 199.86,115 479.419,116 1.62,117 14.759,118 1,119 2.532,120 3.808,121 6.224,122 5.024,123 154.301,124 1.819,125 1.819,127 4.78,128 1.497,129 1.497,130 15.732,131 18.315,132 4.99,133 51.694,134 34.872,135 1.688,136 121.382,137 112.647,138 0.087,139 6.04,140 367.5,141 166.138,142 0.943,143 5.467,144 1.521,145 36.022,146 3.878,147 3.878,148 1.107,149 0.955,150 1.305,151 -4.541,152 2.473,153 0.951,154 25372,155 5.159,156 6.356,157 2.819,159 4.31,160 6.151,161 20.561,162 4.3,163 1,164 2.901,165 21.834,166 5.341,167 -0.056,168 1,169 5.033,170 3.609,171 5.38,172 36.022,173 6.251,174 0.609,175 0.609,176 0.97,177 128,178 0.068,179 95.583,180 -1.333,181 1.496,182 5.984,183 5.984,184 0.864,185 189.727,186 6,187 1,188 9,189 0.449,190 5.226,191 20.783,192 20.482,193 7.434,194 2.304,195 1.022,196 1.414,197 1.414,198 5.024,199 5.024,200 3.957,201 6.214,202 20.85,203 0.876,204 3.505,205 2,206 6.049,207 1774,208 5.022}
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{0 CHEMBL7423,1 3.869,2 5.869,3 3.869,4 1,5 5.635,6 3.736,7 7.416,8 8,9 0.258,10 10.339,11 10.339,12 10.339,13 29.405,14 2.189,15 6.543,16 6.543,17 -0.028,18 6.892,20 1.343,21 1.967,22 4.089,23 4.089,24 2.612,25 2.612,26 3.139,27 3.139,28 5.139,29 3.139,30 238.426,31 8.509,32 14.663,33 3.688,34 449.592,35 443.862,36 3.168,37 0.428,38 3.519,39 7.815,40 11.973,41 4.474,42 4.474,43 7.474,44 4.474,45 308.76,46 3.655,47 35.809,50 443.862,52 10.21,53 1.9,54 280.445,55 5.394,56 13.779,57 280.445,58 12.817,59 9,60 1,61 3.817,62 2.674,63 7.214,64 3.778,65 1.044,66 2.797,67 2.797,68 3.901,69 16.607,70 3.048,71 5.048,72 3.048,73 34.75,74 45.398,76 3.702,77 23.507,78 421.406,79 1.928,80 18,81 18.567,82 48.972,83 3.122,84 17.14,85 3.703,86 163.417,87 2,88 3.783,89 9.195,90 6.344,91 2.341,92 1.992,93 1.897,94 7.434,95 0.595,96 5.163,97 113.311,98 1.794,99 4.889,100 2.71,101 2.71,102 328.586,103 3.728,104 1149.87,105 7.405,106 308.76,107 3.554,108 34.396,109 70.733,110 188.326,111 188.326,112 4.097,113 2,114 436.489,115 1056.79,116 3.128,117 10.994,118 1.107,119 3.6,120 7.681,121 7.062,122 5.215,123 157.291,124 2.557,125 2.557,126 2,127 5.766,128 2.515,129 2.515,130 36.041,131 43.728,132 5.136,133 147.23,134 33.515,135 2.544,136 218.264,137 163.417,138 0.095,139 14.476,140 790.29,141 397.427,142 0.908,143 5.513,144 2.727,145 158.275,146 7.244,147 7.244,148 1.759,149 1.084,150 2.558,151 -0.921,152 3.479,153 0.913,154 143514,155 5.193,156 6.977,157 3.494,159 5.453,160 6.216,161 75.515,162 9.7,164 3.791,165 22.663,166 4.612,167 0.049,168 10,169 15.242,170 3.858,171 6.823,172 200.431,173 6.639,174 1.687,175 1.687,176 1.653,177 394,178 -0.051,179 168.75,180 -6.654,181 1.745,182 8.246,183 8.246,184 1.336,185 566.261,186 13,187 6,188 20,189 0.554,190 5.242,191 94.26,192 21.217,193 7.43,194 3.545,195 1.881,196 2.363,197 2.363,198 7.919,199 7.919,200 4.051,201 6.829,202 43.46,203 1.031,204 3.769,205 7,206 6.103,207 14134,208 7.509}
{0 CHEMBL74515,1 3.812,2 5.812,3 3.812,5 3.321,6 1.717,7 4.846,8 1,9 0.106,10 10.95,11 10.95,12 10.95,13 29.074,14 0.746,15 6.716,16 6.716,17 0.05,18 4.476,20 1.161,22 4.148,23 4.148,24 2.035,25 2.035,26 3.17,27 3.17,28 5.17,29 3.17,30 62.456,31 5.791,32 10.648,33 3.392,34 81.789,35 103.097,36 1.803,37 0.593,38 1.913,39 7.434,40 8.558,41 4.1,42 4.1,43 7.1,44 4.1,45 70.56,46 2.639,47 35.985,48 79,49 1,50 103.097,51 134.25,52 7.162,54 50.29,55 3.298,56 9.966,57 50.29,58 9.217,59 3,61 3.541,62 0.558,63 6.073,64 3.269,65 0.218,66 2.396,67 2.396,68 3.634,69 4.139,70 3.098,71 5.098,72 3.098,73 14.833,74 21.38,76 3.422,77 8.276,78 103.097,80 5,81 5.564,82 19.496,83 2.445,84 18.13,85 2.861,86 52.807,87 0.183,88 3.595,89 6.325,90 6.518,91 1.076,92 1.64,93 1.298,94 4.877,95 0.182,96 5.197,97 25.45,98 1.532,99 3.585,100 1.886,101 1.886,102 57.161,103 3.188,104 479.614,105 5.865,106 70.56,107 2.503,108 16.537,109 28.905,110 74.749,111 74.749,112 2.435,114 202.141,115 484.983,116 1.523,117 7.778,118 0.937,119 2.248,120 2.915,121 6.025,122 4.949,123 20.842,124 1.524,125 1.524,127 4.662,128 1.414,129 1.414,130 8.081,131 13.807,132 4.844,133 44.422,134 33.618,135 1.481,136 57.403,137 52.807,138 0.087,139 5.567,140 356.34,141 144.884,142 0.955,143 5.427,144 1.311,145 36.022,146 3.508,147 3.508,148 1.071,149 0.228,150 1.055,152 2.343,153 0.967,154 17815,155 5.05,156 5.978,157 2.766,159 4.037,160 5.97,161 18.612,162 4.5,163 1,164 2.832,165 21.665,166 3.551,167 -0.05,168 1,169 5.5,170 3.592,171 5.38,172 36.022,173 5.645,174 0.085,175 0.085,176 0.578,177 105,178 0.049,179 70.556,180 -0.304,181 1.489,182 5.162,183 5.162,184 1.049,185 75.422,186 7,187 1,188 7,189 0.253,190 5.112,191 22.286,192 20.324,193 4.686,194 2.162,195 0.733,196 1.345,197 1.345,198 3.84,199 3.84,200 3.957,201 5.998,202 16.935,203 0.937,204 3.342,205 2,206 5.785,207 1325,208 4.602}
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