@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL233

@attribute molecule_id {CHEMBL100574,CHEMBL100938,CHEMBL101118,CHEMBL101231,CHEMBL101316,CHEMBL101454,CHEMBL101519,CHEMBL101676,CHEMBL10188,CHEMBL102150,CHEMBL102426,CHEMBL1026,CHEMBL102690,CHEMBL102900,CHEMBL104,CHEMBL104042,CHEMBL104169,CHEMBL104200,CHEMBL1052,CHEMBL106043,CHEMBL106084,CHEMBL106155,CHEMBL106190,CHEMBL106235,CHEMBL106359,CHEMBL106366,CHEMBL106432,CHEMBL1066,CHEMBL106758,CHEMBL106785,CHEMBL107207,CHEMBL107288,CHEMBL107334,CHEMBL107420,CHEMBL107442,CHEMBL107533,CHEMBL1075629,CHEMBL1076208,CHEMBL1076242,CHEMBL107655,CHEMBL1076554,CHEMBL1076572,CHEMBL1076573,CHEMBL1076574,CHEMBL1076575,CHEMBL1076576,CHEMBL1076577,CHEMBL1076578,CHEMBL1076579,CHEMBL1076586,CHEMBL1076724,CHEMBL1076725,CHEMBL1076726,CHEMBL1076736,CHEMBL1076737,CHEMBL107737,CHEMBL1079079,CHEMBL1079400,CHEMBL1079417,CHEMBL1079418,CHEMBL1079562,CHEMBL1079571,CHEMBL1079940,CHEMBL1079941,CHEMBL1079942,CHEMBL1079943,CHEMBL1080153,CHEMBL1080155,CHEMBL108024,CHEMBL1080389,CHEMBL1080463,CHEMBL1080464,CHEMBL1080483,CHEMBL1080484,CHEMBL1080485,CHEMBL1080507,CHEMBL1080508,CHEMBL1080520,CHEMBL1080556,CHEMBL1080674,CHEMBL108068,CHEMBL1080735,CHEMBL1080755,CHEMBL108083,CHEMBL1080907,CHEMBL1080925,CHEMBL1080926,CHEMBL1081084,CHEMBL1081093,CHEMBL1081191,CHEMBL1081192,CHEMBL1081212,CHEMBL1081250,CHEMBL1081254,CHEMBL1081608,CHEMBL1081648,CHEMBL1081649,CHEMBL1081741,CHEMBL1082013,CHEMBL1082092,CHEMBL1082209,CHEMBL1082210,CHEMBL1082211,CHEMBL1082723,CHEMBL1083062,CHEMBL1083372,CHEMBL108417,CHEMBL1084529,CHEMBL1085023,CHEMBL1085024,CHEMBL1085025,CHEMBL108608,CHEMBL1086622,CHEMBL1086749,CHEMBL10872,CHEMBL1087276,CHEMBL1087278,CHEMBL1087370,CHEMBL1087531,CHEMBL1087532,CHEMBL1087657,CHEMBL1087658,CHEMBL1088036,CHEMBL1088171,CHEMBL1088569,CHEMBL108893,CHEMBL108894,CHEMBL108900,CHEMBL108904,CHEMBL108938,CHEMBL108995,CHEMBL109009,CHEMBL109040,CHEMBL1091995,CHEMBL1094236,CHEMBL1094237,CHEMBL1094860,CHEMBL1094880,CHEMBL109509,CHEMBL1095183,CHEMBL1095184,CHEMBL1095520,CHEMBL1095521,CHEMBL109563,CHEMBL109598,CHEMBL1096473,CHEMBL1096474,CHEMBL1096475,CHEMBL109659,CHEMBL1096675,CHEMBL110124,CHEMBL110126,CHEMBL110138,CHEMBL110379,CHEMBL110461,CHEMBL110487,CHEMBL110640,CHEMBL110816,CHEMBL110894,CHEMBL110933,CHEMBL111192,CHEMBL1112,CHEMBL111230,CHEMBL111233,CHEMBL111347,CHEMBL111530,CHEMBL111918,CHEMBL112035,CHEMBL112191,CHEMBL112656,CHEMBL112974,CHEMBL113684,CHEMBL113703,CHEMBL113811,CHEMBL113956,CHEMBL114,CHEMBL114123,CHEMBL114163,CHEMBL114203,CHEMBL114204,CHEMBL114280,CHEMBL114299,CHEMBL114327,CHEMBL114358,CHEMBL114379,CHEMBL114484,CHEMBL114803,CHEMBL114824,CHEMBL114825,CHEMBL114940,CHEMBL115076,CHEMBL115222,CHEMBL115229,CHEMBL115249,CHEMBL115280,CHEMBL115284,CHEMBL115444,CHEMBL115549,CHEMBL115652,CHEMBL115709,CHEMBL115917,CHEMBL1159655,CHEMBL115998,CHEMBL1161412,CHEMBL1161413,CHEMBL1161414,CHEMBL1161415,CHEMBL1161416,CHEMBL1161417,CHEMBL1161419,CHEMBL1161422,CHEMBL1161423,CHEMBL1161424,CHEMBL1161425,CHEMBL1161427,CHEMBL1161428,CHEMBL1161429,CHEMBL1161430,CHEMBL1162931,CHEMBL1162933,CHEMBL1163015,CHEMBL116354,CHEMBL116463,CHEMBL1165197,CHEMBL116643,CHEMBL116735,CHEMBL116738,CHEMBL1169559,CHEMBL1169580,CHEMBL1169582,CHEMBL1169583,CHEMBL1169584,CHEMBL1169585,CHEMBL1169627,CHEMBL117128,CHEMBL117183,CHEMBL117319,CHEMBL117321,CHEMBL117379,CHEMBL117537,CHEMBL1188090,CHEMBL1198307,CHEMBL1200339,CHEMBL1200401,CHEMBL1200418,CHEMBL1200596,CHEMBL1200843,CHEMBL1201776,CHEMBL1201894,CHEMBL1204084,CHEMBL1204085,CHEMBL1208858,CHEMBL1210154,CHEMBL121403,CHEMBL1214049,CHEMBL122321,CHEMBL1223815,CHEMBL1223816,CHEMBL1223817,CHEMBL1223870,CHEMBL1223871,CHEMBL1223872,CHEMBL1223873,CHEMBL1223951,CHEMBL1223952,CHEMBL1223953,CHEMBL1223954,CHEMBL1224065,CHEMBL1224066,CHEMBL1224139,CHEMBL1224140,CHEMBL1224141,CHEMBL1224142,CHEMBL1224215,CHEMBL1224216,CHEMBL1224288,CHEMBL122981,CHEMBL123679,CHEMBL123693,CHEMBL1237044,CHEMBL12391,CHEMBL124015,CHEMBL1241328,CHEMBL1242923,CHEMBL1242950,CHEMBL124642,CHEMBL125248,CHEMBL1254682,CHEMBL1254685,CHEMBL1255595,CHEMBL1255656,CHEMBL1255663,CHEMBL1255837,CHEMBL1255841,CHEMBL1255842,CHEMBL1255966,CHEMBL1256191,CHEMBL1256286,CHEMBL1256484,CHEMBL1256574,CHEMBL1256659,CHEMBL1256692,CHEMBL1256698,CHEMBL1256708,CHEMBL1256748,CHEMBL1256750,CHEMBL1256754,CHEMBL1256778,CHEMBL1256854,CHEMBL1256885,CHEMBL1256955,CHEMBL1256958,CHEMBL1257041,CHEMBL1257226,CHEMBL1257227,CHEMBL125734,CHEMBL1257346,CHEMBL1257347,CHEMBL1257348,CHEMBL125742,CHEMBL1257457,CHEMBL1257458,CHEMBL1257459,CHEMBL1257577,CHEMBL1257578,CHEMBL1257579,CHEMBL1257698,CHEMBL1257820,CHEMBL1257821,CHEMBL1257937,CHEMBL1257938,CHEMBL1258047,CHEMBL1258048,CHEMBL1258164,CHEMBL1258166,CHEMBL1258223,CHEMBL1258279,CHEMBL1258280,CHEMBL1258391,CHEMBL1258392,CHEMBL1258452,CHEMBL1258502,CHEMBL1258503,CHEMBL1258615,CHEMBL1258616,CHEMBL1258671,CHEMBL1258724,CHEMBL1258725,CHEMBL1258845,CHEMBL1258961,CHEMBL1258962,CHEMBL126141,CHEMBL126223,CHEMBL126255,CHEMBL126366,CHEMBL126370,CHEMBL126382,CHEMBL126819,CHEMBL126842,CHEMBL126857,CHEMBL126884,CHEMBL126946,CHEMBL127007,CHEMBL127434,CHEMBL127495,CHEMBL1275,CHEMBL127507,CHEMBL1276308,CHEMBL127638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@attribute D.Dtr12 numeric
@attribute nR12 numeric
@attribute Eig01_EA.ed. numeric
@attribute SM10_AEA.dm. numeric
@attribute SpMax_EA.ed. numeric
@attribute SpDiam_EA.ed. numeric
@attribute Eig01_AEA.ed. numeric
@attribute SpMax_AEA.ed. numeric
@attribute Eig01_AEA.dm. numeric
@attribute SpMax_AEA.dm. numeric
@attribute SpDiam_AEA.dm. numeric
@attribute SpDiam_EA.ri. numeric
@attribute Eig01_EA.ri. numeric
@attribute SpMax_EA.ri. numeric
@attribute Eig01_AEA.ri. numeric
@attribute SpMax_AEA.ri. numeric
@attribute Eig01_EA numeric
@attribute SM09_AEA.bo. numeric
@attribute SpDiam_EA numeric
@attribute SpMax_EA numeric
@attribute D.Dtr03 numeric
@attribute nR03 numeric
@attribute SRW03 numeric
@attribute SM11_EA.ed. numeric
@attribute Eig01_EA.bo. numeric
@attribute SM11_AEA.ri. numeric
@attribute SpMax_EA.bo. numeric
@attribute SM12_EA.ed. numeric
@attribute SM15_EA.ed. numeric
@attribute SM14_EA.ed. numeric
@attribute SpMin1_Bh.s. numeric
@attribute SM10_EA.ed. numeric
@attribute SM09_EA.ed. numeric
@attribute SpDiam_EA.bo. numeric
@attribute SM13_EA.ed. numeric
@attribute SpMin1_Bh.m. numeric
@attribute Eig01_AEA.bo. numeric
@attribute SpMax_AEA.bo. numeric
@attribute SM09_EA.dm. numeric
@attribute SpMin1_Bh.i. numeric
@attribute SpMin1_Bh.e. numeric
@attribute SpDiam_AEA.ed. numeric
@attribute SM08_EA.ed. numeric
@attribute SpDiam_AEA.bo. numeric
@attribute SM10_EA.ri. numeric
@attribute SM15_EA.ri. numeric
@attribute SM08_EA.ri. numeric
@attribute SM14_EA.ri. numeric
@attribute ATSC5v numeric
@attribute SM09_EA.ri. numeric
@attribute SpMin1_Bh.v. numeric
@attribute Eig02_AEA.ed. numeric
@attribute SM13_EA.ri. numeric
@attribute SM15_EA numeric
@attribute SM12_EA.ri. numeric
@attribute ATSC4v numeric
@attribute SM03_EA.ri. numeric
@attribute SM11_EA.ri. numeric
@attribute nR08 numeric
@attribute SM14_EA numeric
@attribute nCs numeric
@attribute ATSC4m numeric
@attribute SM10_EA.dm. numeric
@attribute SpDiam_AEA.ri. numeric
@attribute ATSC4p numeric
@attribute SM15_AEA.ed. numeric
@attribute SpMin5_Bh.s. numeric
@attribute ATS5i numeric
@attribute ATSC3v numeric
@attribute ATSC6p numeric
@attribute SM15_EA.dm. numeric
@attribute ATSC1v numeric
@attribute ATS4i numeric
@attribute SM14_EA.dm. numeric
@attribute ATSC5p numeric
@attribute SM06_EA.ri. numeric
@attribute SM07_EA.ri. numeric
@attribute Si numeric
@attribute CIC0 numeric
@attribute ATS4p numeric
@attribute ATS4e numeric
@attribute SM09_AEA.ed. numeric
@attribute ATS5e numeric
@attribute SpMin6_Bh.s. numeric
@attribute SM07_EA.ed. numeric
@attribute SM13_EA numeric
@attribute nCrs numeric
@attribute SM11_EA numeric
@attribute SM13_AEA.ed. numeric
@attribute X5v numeric
@attribute ATSC3m numeric
@attribute ATS2p numeric
@attribute SM07_EA.dm. numeric
@attribute C.002 numeric
@attribute X1A numeric
@attribute SM14_AEA.ed. numeric
@attribute ATSC3p numeric
@attribute SM12_EA numeric
@attribute ATSC4i numeric
@attribute ATS5v numeric
@attribute ATSC1p numeric
@attribute SM08_AEA.ed. numeric
@attribute SM06_AEA.ed. numeric
@attribute SM09_EA numeric
@attribute Eta_C_A numeric
@attribute SM07_AEA.ed. numeric
@attribute SM03_EA.ed. numeric
@attribute MWC10 numeric
@attribute Eig02_EA.ed. numeric
@attribute SM11_AEA.dm. numeric
@attribute SM04_EA.ed. numeric
@attribute SM12_AEA.ed. numeric
@attribute SM11_AEA.ed. numeric
@attribute SM08_EA numeric
@attribute ATSC2v numeric
@attribute SM10_EA numeric
@attribute SM05_EA.ri. numeric
@attribute SM07_EA numeric
@attribute SM10_AEA.ed. numeric
@attribute TWC numeric
@attribute ATSC6i numeric
@attribute ATSC5i numeric
@attribute SM12_EA.dm. numeric
@attribute SpDiam_EA.dm. numeric
@attribute SM05_EA.ed. numeric
@attribute ATS3p numeric
@attribute SM05_EA.dm. numeric
@attribute Se numeric
@attribute SM06_EA.ed. numeric
@attribute MWC09 numeric
@attribute ATS4v numeric
@attribute SpMin1_Bh.p. numeric
@attribute ATS3v numeric
@attribute ATS2v numeric
@attribute ATS3i numeric
@attribute SM05_AEA.ed. numeric
@attribute SM11_EA.dm. numeric
@attribute SRW10 numeric
@attribute SM06_EA numeric
@attribute Eig10_EA.ri. numeric
@attribute TRS numeric
@attribute ATS7i numeric
@attribute ATS3e numeric
@attribute SM06_EA.dm. numeric
@attribute MPC07 numeric
@attribute SpMin4_Bh.s. numeric
@attribute ATSC6v numeric
@attribute P_VSA_MR_2 numeric
@attribute SpMax1_Bh.v. numeric
@attribute ATS6i numeric
@attribute nCrq numeric
@attribute SM04_EA.ri. numeric
@attribute ATS5p numeric
@attribute MPC08 numeric
@attribute Qindex numeric
@attribute SpMin3_Bh.s. numeric
@attribute ATSC2p numeric
@attribute ATS6p numeric
@attribute MPC06 numeric
@attribute SpMAD_EA.ri. numeric
@attribute MPC09 numeric
@attribute MWC08 numeric
@attribute SM05_EA numeric
@attribute Hy numeric
@attribute ATS2e numeric
@attribute MPC05 numeric
@attribute SM08_EA.dm. numeric
@attribute GGI2 numeric
@attribute ATSC3i numeric
@attribute SM13_EA.dm. numeric
@attribute SRW09 numeric
@attribute ATSC5m numeric
@attribute ATS7e numeric
@attribute MWC07 numeric
@attribute X1MulPer numeric
@attribute SRW06 numeric
@attribute ATS6e numeric
@attribute SpMax3_Bh.i. numeric
@attribute SRW05 numeric
@attribute C.003 numeric
@attribute nCIC numeric
@attribute nCsp3 numeric
@attribute SpMin2_Bh.s. numeric
@attribute Eig04_AEA.ed. numeric
@attribute CATS2D_03_LL numeric
@attribute SpMin8_Bh.s. numeric
@attribute GGI4 numeric
@attribute P_VSA_e_1 numeric
@attribute P_VSA_m_1 numeric
@attribute P_VSA_v_1 numeric
@attribute nR10 numeric
@attribute X1Kup numeric
@attribute SM02_EA.ed. numeric
@attribute nCt numeric
@attribute SM02_EA.ri. numeric
@attribute SM02_AEA.ed. numeric
@attribute SpMax1_Bh.p. numeric
@attribute H.052 numeric
@attribute P_VSA_p_1 numeric
@attribute SM04_AEA.ed. numeric
@attribute X1Per numeric
@attribute X4v numeric
@attribute Eig02_EA.ri. numeric
@attribute X3v numeric
@attribute BIC0 numeric
@attribute TPC numeric
@attribute Eig02_EA numeric
@attribute SM10_AEA.bo. numeric
@attribute RFD numeric
@attribute nBT numeric
@attribute MPC10 numeric
@attribute SpMax1_Bh.e. numeric
@attribute P_VSA_LogP_7 numeric
@attribute pXC50 numeric

@data
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{0 CHEMBL100938,3 14.172,4 14.172,5 14.172,6 22.697,7 7.783,8 7.783,9 3.87,10 3.87,11 5.87,12 5.641,13 3.641,14 3.641,15 4.642,16 4.642,17 3.642,18 3.642,19 5.642,20 3.642,24 29.267,25 3.967,26 3.967,27 3.967,28 31.905,29 39.816,30 37.177,31 1.699,32 26.652,33 24.011,34 6.967,35 34.537,36 2.23,37 4.642,38 4.642,39 6.226,40 2.026,41 2.065,42 7.464,43 21.434,44 5.642,45 13.17,46 19.488,47 10.711,48 18.215,49 23.191,50 11.895,51 2.193,52 6.908,53 16.941,54 19.565,55 15.679,56 25.247,57 4.318,58 14.409,60 18.297,61 7,62 44.711,63 7.061,64 5.68,65 17.117,66 30.964,67 0.859,68 5.547,69 22.115,70 13.466,71 10.492,72 8.811,73 5.588,74 9.824,75 15.78,76 8.36,77 9.4,78 65.434,79 4.587,80 4.4,81 5.296,82 18.925,83 5.243,84 0.825,85 18.77,86 17.026,87 7,88 14.5,89 26.92,90 4.861,91 39.491,92 4.182,93 4.765,94 6,95 0.418,96 28.939,97 14.951,98 15.768,99 2.122,100 4.076,101 6.111,102 16.959,103 13.095,104 11.988,105 1.218,106 15.014,107 8.215,108 12.426,109 11.591,110 11.591,111 11.368,112 24.907,113 22.902,114 10.807,115 15.881,116 13.264,117 6.908,118 9.49,119 20.907,120 12.927,121 1.684,122 1.916,123 8.437,124 3.529,125 13.536,126 4.397,127 3.266,128 56.785,129 16.299,130 11.492,131 4.199,132 2.17,133 4.245,134 4.082,135 5.391,136 11.213,137 7.661,138 10.694,139 8.45,140 1.089,141 27,142 5.251,143 5.148,144 4.389,145 4.868,146 1.06,147 20.031,148 84,149 3.994,150 5.403,151 1,152 6.23,153 4.28,154 4.977,155 27,156 1.141,157 10.714,158 4.152,159 4.745,160 1.535,161 5.037,162 10.567,163 6.986,164 -0.874,165 4.787,166 4.71,167 5.705,168 3.778,169 1.982,170 9.08,171 7.034,172 42.325,173 4.945,174 9.634,175 10.263,176 7.177,177 5.098,178 3.854,179 2.398,180 3,181 5,182 16,183 1.416,184 5.789,185 14,186 0.672,187 1.654,188 376.675,189 376.675,190 376.675,192 10.592,193 6.915,194 3,195 4.496,196 5.979,197 4.003,198 1,199 376.675,200 9.381,201 8.42,202 6.433,203 3.132,204 8.278,205 0.21,206 7.991,207 3.254,208 3.254,209 0.273,210 62,211 5.193,212 4.088,213 376.675,214 7.556}
{0 CHEMBL101118,3 11.593,4 11.593,5 11.593,6 18.796,7 6.909,8 6.909,9 3.87,10 3.87,11 5.87,12 5.135,13 3.135,14 3.135,15 4.22,16 4.22,17 3.258,18 3.258,19 5.258,20 3.258,24 27.349,25 3.967,26 3.967,27 3.967,28 29.787,29 37.065,30 34.638,31 1.483,32 24.952,33 22.498,34 6.967,35 32.204,36 2.143,37 4.471,38 4.471,39 6.226,40 1.977,41 2.009,42 6.598,43 20.153,44 5.471,45 12.108,46 17.674,47 9.944,48 16.557,49 21.285,50 10.924,51 2.127,52 6.689,53 15.421,54 18.154,55 14.32,56 20.188,57 3.921,58 13.172,60 17,61 8,62 35.858,63 7.061,64 5.261,65 14.134,66 29.559,67 0.825,68 5.374,69 18.148,70 14.099,71 10.492,72 7.258,73 5.31,74 9.824,75 15.103,76 7.878,77 8.667,78 58.188,79 4.389,80 4.315,81 5.065,82 18.216,83 5.114,84 0.811,85 17.646,86 15.833,87 8,88 13.518,89 25.756,90 4.006,91 33.626,92 4.098,93 4.768,94 6,95 0.427,96 27.656,97 12.572,98 14.695,99 1.844,100 4.111,101 5.203,102 16.354,103 12.681,104 11.205,105 0.954,106 14.507,107 7.722,108 12.22,109 10.827,110 10.827,111 10.885,112 23.861,113 21.972,114 10.181,115 13.034,116 12.414,117 6.369,118 8.885,119 20.089,120 12.736,121 1.685,122 1.839,123 8.437,124 3.529,125 12.764,126 4.283,127 3.273,128 51.134,129 15.43,130 11.31,131 4.168,132 2.115,133 4.166,134 4.016,135 5.236,136 10.885,137 7.661,138 10.357,139 8.045,140 1.253,141 29,142 5.156,143 4.999,144 4.394,145 4.942,146 0.934,147 20.212,148 95.772,149 3.975,150 5.33,152 5.994,153 4.283,154 5.1,155 24,156 1.139,157 9.073,158 4.133,159 4.754,160 1.495,161 5.176,162 10.404,163 6.524,164 -0.874,165 4.656,166 4.718,167 5.706,168 3.111,169 1.764,170 9.08,171 7.034,172 38.147,173 4.831,174 9.495,175 9.769,176 7.008,177 5.043,178 3.822,179 2.398,181 5,182 10,183 1.358,184 5.718,185 13,186 0.506,187 1.365,188 306.049,189 306.049,190 306.049,191 1,192 9.962,193 6.723,195 4.425,196 5.861,197 3.976,198 2,199 306.049,200 9.131,201 7.991,202 5.241,203 3.053,204 6.504,205 0.219,206 8.042,207 3.118,208 3.118,209 0.16,210 56,211 5.273,212 4.065,213 306.049,214 7.674}
{0 CHEMBL101231,3 11.557,4 11.557,5 11.557,6 18.758,7 6.892,8 6.892,9 3.697,10 3.697,11 5.697,12 5.114,13 3.114,14 3.114,15 4.193,16 4.193,17 3.232,18 3.232,19 5.232,20 3.232,24 27.101,25 3.898,26 3.898,27 3.898,28 29.532,29 36.795,30 34.371,31 1.397,32 24.726,33 22.283,34 6.898,35 31.94,36 2.102,37 4.398,38 4.398,39 2.588,40 1.969,41 1.995,42 6.656,43 19.98,44 5.398,45 12.007,46 17.434,47 9.911,48 16.341,49 28.516,50 10.859,51 2.108,52 6.391,53 15.23,54 17.961,55 14.158,56 25.674,57 4.088,58 13.039,60 16.832,61 5,62 48.155,63 3.094,64 5.261,65 17.59,66 29.426,67 0.978,68 5.642,69 21.832,70 21.699,71 3.949,72 9.712,73 5.592,74 3.88,75 19.828,76 7.911,77 8.681,78 78.972,79 4.773,80 4.553,81 5.341,82 18.218,83 5.395,84 0.948,85 17.488,86 15.689,87 4,88 13.431,89 25.662,90 3.69,91 41.341,92 4.238,93 2.149,94 2,95 0.445,96 27.541,97 14.747,98 14.58,99 2.326,100 4.499,101 6.803,102 16.382,103 12.759,104 11.184,105 1.09,106 14.561,107 7.781,108 12.237,109 9.667,110 9.667,111 10.905,112 23.789,113 21.923,114 10.196,115 16.009,116 12.361,117 6.469,118 8.94,119 20.066,120 12.763,121 2.603,122 2.473,123 3.474,124 2.37,125 12.695,126 4.452,127 1.707,128 68.981,129 15.343,130 11.341,131 4.423,132 2.106,133 4.341,134 4.163,135 5.419,136 10.984,137 3.035,138 10.408,139 8.127,140 1.216,141 23,142 5.774,143 5.187,144 2.465,145 4.984,146 1.051,147 31.331,148 153.856,149 3.97,150 5.708,152 6.081,153 4.647,154 5.13,155 23,156 1.208,157 10.679,158 4.676,159 4.812,160 1.436,161 5.204,162 10.449,163 6.661,164 -0.841,165 4.902,166 4.718,167 2.75,168 4,169 2.106,170 3.489,171 6.293,172 50.32,173 5.478,174 9.555,175 11.61,176 7.13,177 5.452,178 3.886,179 2.398,181 4,182 13,183 1.211,184 5.655,185 9,186 0.625,187 2.169,188 435.531,189 435.531,190 435.531,192 12.012,193 6.83,195 4.546,196 5.999,197 3.969,198 10,199 435.531,200 9.248,201 9.676,202 5.303,203 2.906,204 7.135,205 0.214,206 7.576,207 2.97,208 2.97,210 73,211 5.247,212 4.053,213 435.531,214 5.209}
{0 CHEMBL101316,3 11.557,4 11.557,5 11.557,6 18.758,7 6.892,8 6.892,9 3.694,10 3.694,11 5.694,12 5.114,13 3.114,14 3.114,15 4.193,16 4.193,17 3.232,18 3.232,19 5.232,20 3.232,24 27.1,25 3.898,26 3.898,27 3.898,28 29.531,29 36.794,30 34.37,31 1.397,32 24.725,33 22.282,34 6.898,35 31.939,36 2.103,37 4.397,38 4.397,39 2.588,40 1.97,41 1.995,42 6.694,43 19.979,44 5.397,45 11.997,46 17.424,47 9.9,48 16.331,49 32.887,50 10.848,51 2.109,52 6.389,53 15.221,54 17.95,55 14.148,56 28.455,57 4.088,58 13.029,60 16.821,61 5,62 53.522,63 3.094,64 5.26,65 19.107,66 29.424,67 1.024,68 5.781,69 23.646,70 24.926,71 3.949,72 11.034,73 5.697,74 3.88,75 22.748,76 7.899,77 8.668,78 88.218,79 4.965,80 4.653,81 5.444,82 18.215,83 5.533,84 0.977,85 17.486,86 15.678,87 2,88 13.419,89 25.661,90 3.862,91 44.824,92 4.282,93 2.149,94 2,95 0.457,96 27.54,97 15.645,98 14.568,99 2.572,100 4.617,101 7.599,102 16.379,103 12.755,104 11.172,105 1.184,106 14.558,107 7.781,108 12.213,109 9.66,110 9.66,111 10.901,112 23.787,113 21.921,114 10.184,115 17.754,116 12.349,117 6.456,118 8.927,119 20.064,120 12.74,121 2.963,122 2.799,123 3.474,124 2.37,125 12.693,126 4.51,127 1.707,128 76.632,129 15.341,130 11.318,131 4.521,132 2.108,133 4.4,134 4.194,135 5.499,136 10.979,137 3.035,138 10.399,139 8.116,140 1.233,141 18,142 5.913,143 5.259,144 2.465,145 4.956,146 1.09,147 36.081,148 153.856,149 3.969,150 5.88,152 6.071,153 4.771,154 5.106,155 20,156 1.198,157 11.615,158 4.802,159 4.787,160 1.411,161 5.182,162 10.428,163 6.648,164 -0.85,165 4.98,166 4.718,167 2.75,168 4.222,169 2.239,170 3.489,172 57.826,173 5.616,174 9.536,175 12.409,176 7.127,177 5.616,178 3.879,181 3,182 15,183 1.253,184 5.655,185 9,186 0.649,187 2.409,188 506.157,189 506.157,190 506.157,192 12.926,193 6.821,195 4.546,196 5.994,197 3.968,198 10,199 506.157,200 9.242,201 10.48,202 5.237,203 2.9,204 7.016,205 0.204,206 7.484,207 2.96,208 2.96,210 80,211 5.204,212 4.051,213 506.157,214 5.216}
{0 CHEMBL101454,3 11.592,4 11.592,5 11.592,6 18.743,7 6.908,8 6.908,9 3.87,10 3.87,11 5.87,12 5.132,13 3.132,14 3.132,15 4.218,16 4.218,17 3.255,18 3.255,19 5.255,20 3.255,24 27.02,25 3.967,26 3.967,27 3.967,28 29.466,29 36.78,30 34.34,31 1.507,32 24.614,33 22.158,34 6.967,35 31.895,36 2.117,37 4.471,38 4.471,39 6.226,40 1.876,41 1.919,42 6.788,43 19.807,44 5.471,45 11.717,46 17.238,47 9.593,48 16.126,49 22.265,50 10.535,51 2.093,52 6.141,53 14.994,54 17.837,55 13.904,56 22.297,57 3.649,58 12.76,59 1,60 16.684,61 12,62 39.732,63 7.061,64 5.256,65 15.108,66 29.215,67 1.064,68 5.494,69 19.868,70 12.904,71 10.492,72 8.084,73 5.446,74 9.824,75 15.2,76 7.585,77 8.311,78 61.019,79 4.471,80 4.325,81 5.17,82 17.902,83 5.197,84 0.825,85 17.305,86 15.517,87 12,88 13.206,89 25.417,90 3.759,91 36.899,92 4.058,93 4.765,94 10,95 0.438,96 27.314,97 13.118,98 14.383,99 1.903,100 4.036,101 5.564,102 16.05,103 12.405,104 10.903,105 1.116,106 14.216,107 7.427,108 11.945,109 9.047,110 9.047,111 10.585,112 23.527,113 21.643,114 9.9,115 14.381,116 12.112,117 6.053,118 8.598,119 19.767,120 12.469,121 1.548,122 1.812,123 8.437,124 3.529,125 12.439,126 4.272,127 3.266,128 52.901,129 15.095,130 11.046,131 4.144,132 2.079,133 4.126,134 3.949,135 5.353,136 10.626,137 7.661,138 10.074,139 7.797,140 0.983,141 25,142 5.164,143 5.084,144 4.389,145 4.718,146 1.077,147 19.168,148 119.314,149 3.945,150 5.37,152 5.773,153 4.246,154 4.796,155 19,156 1.141,157 9.558,158 4.059,159 4.533,160 1.441,161 4.804,162 10.152,163 6.256,164 -0.864,165 4.703,166 4.454,167 5.705,168 2.444,169 1.798,170 9.08,171 7.034,172 40.363,173 4.83,174 9.257,175 9.724,176 6.817,177 5.056,178 3.797,179 2.398,181 4,182 14,183 1.385,184 5.014,185 10,186 0.549,187 0.969,188 353.133,189 353.133,190 353.133,192 9.9,193 6.497,195 4.269,196 5.68,197 3.941,198 4,199 353.133,200 8.894,201 8.002,202 4.987,203 2.694,204 6.317,205 0.216,206 7.46,207 2.844,208 2.844,209 0.087,210 57,211 4.883,212 4.044,213 353.133,214 7.524}
{0 CHEMBL101519,1 100.324,2 1,3 18.845,4 18.845,5 18.845,6 28.868,7 8.922,8 8.922,9 4.347,10 4.347,11 6.347,12 5.992,13 3.992,14 3.992,15 5.056,16 5.056,17 4.077,18 4.077,19 6.077,20 4.077,21 36.592,22 1,23 1.946,24 32.306,25 4.44,26 4.44,27 4.44,28 35.241,29 44.045,30 41.11,31 1.572,32 29.379,33 26.445,34 7.44,35 38.174,36 2.149,37 5.135,38 5.135,39 0.125,40 2.03,41 2.051,42 8.724,43 23.539,44 6.135,45 13.968,46 20.787,47 11.329,48 19.412,49 25.76,50 12.612,51 2.149,52 7.221,53 18.038,54 21.104,55 16.674,56 24.255,57 4.725,58 15.309,59 1,60 19.708,61 7,62 48.803,63 5.215,64 6.137,65 18.8,66 32.887,67 0.945,68 5.627,69 20.248,70 18.32,71 0.035,72 7.61,73 5.579,74 7.016,75 19.694,76 8.828,77 9.967,78 65.734,79 4.488,80 4.62,81 5.384,82 19.979,83 5.412,84 0.825,85 20.599,86 18.315,87 7,88 15.544,89 28.549,90 5.844,91 38.593,92 4.284,93 0.188,94 5,95 0.408,96 30.715,97 15.644,98 16.929,99 2.384,100 4.488,101 6.125,102 17.878,103 13.769,104 12.806,105 1.12,106 15.805,107 8.974,108 13.183,109 12.08,110 12.08,111 12.243,112 26.389,113 24.239,114 11.5,115 13.944,116 14.182,117 7.373,118 10.12,119 22.101,120 13.64,121 2.205,122 2.405,123 6.114,124 3.141,125 14.783,126 4.532,127 0.268,128 58.898,129 17.771,130 12.177,131 4.548,132 2.148,133 4.477,134 4.241,135 5.362,136 11.781,137 0.082,138 11.056,139 8.956,140 1.444,141 38,142 5.472,143 5.192,144 3.451,145 6.004,146 1.044,147 24.124,148 161.226,149 4.091,150 5.557,151 1,152 6.587,153 4.588,154 6.304,155 38,156 1.1,157 10.858,158 4.483,159 5.697,160 1.533,161 6.526,162 11.176,163 7.485,164 0.115,165 4.807,166 5.398,167 4.323,168 5.833,169 2.024,170 0.054,171 7.91,172 51.603,173 5.239,174 10.176,175 11.478,176 7.426,177 5.336,178 3.935,179 3.932,180 1,181 7,182 12,183 1.151,184 6.263,185 17,186 0.593,187 3.881,188 294.278,189 294.278,190 294.278,191 3,192 11.69,193 7.352,194 2,195 4.767,196 6.312,197 4.084,198 7,199 294.278,200 9.856,201 9.285,202 6.942,203 2.947,204 8.38,205 0.225,206 9.378,207 3.09,208 3.09,209 0.519,210 65,211 6.688,212 4.168,213 294.278,214 8.721}
{0 CHEMBL101676,3 11.592,4 11.592,5 11.592,6 18.743,7 6.908,8 6.908,9 3.87,10 3.87,11 5.87,12 5.133,13 3.133,14 3.133,15 4.218,16 4.218,17 3.256,18 3.256,19 5.256,20 3.256,24 27.1,25 3.967,26 3.967,27 3.967,28 29.534,29 36.82,30 34.388,31 1.487,32 24.71,33 22.267,34 6.967,35 31.952,36 2.143,37 4.471,38 4.471,39 6.226,40 1.973,41 2.005,42 6.596,43 19.94,44 5.471,45 12.004,46 17.498,47 9.875,48 16.394,49 21.571,50 10.828,51 2.124,52 6.286,53 15.268,54 17.999,55 14.184,56 20.593,57 3.921,58 13.046,60 16.855,61 8,62 36.171,63 7.061,64 5.258,65 14.443,66 29.357,67 0.825,68 5.397,69 18.079,70 12.826,71 10.492,72 7.258,73 5.323,74 9.824,75 15.24,76 7.843,77 8.603,78 58.188,79 4.389,80 4.304,81 5.073,82 18.104,83 5.119,84 0.786,85 17.451,86 15.696,87 8,88 13.403,89 25.58,90 3.94,91 33.696,92 4.098,93 4.765,94 6,95 0.426,96 27.466,97 12.514,98 14.571,99 1.84,100 4.045,101 5.203,102 16.26,103 12.623,104 11.117,105 0.951,106 14.432,107 7.656,108 12.174,109 9.561,110 9.561,111 10.797,112 23.7,113 21.826,114 10.116,115 13.034,116 12.317,117 6.338,118 8.825,119 19.96,120 12.693,121 1.572,122 1.812,123 8.437,124 3.529,125 12.625,126 4.282,127 3.266,128 51.134,129 15.271,130 11.27,131 4.144,132 2.111,133 4.162,134 4.016,135 5.236,136 10.844,137 7.661,138 10.329,139 8.011,140 1.245,141 29,142 5.015,143 5,144 4.389,145 4.927,146 0.934,147 18.513,148 119.314,149 3.97,150 5.271,152 5.985,153 4.232,154 5.069,155 24,156 1.139,157 9.073,158 4.042,159 4.745,160 1.495,161 5.142,162 10.369,163 6.494,164 -0.874,165 4.656,166 4.691,167 5.705,168 3.111,169 1.769,170 9.08,171 7.034,172 38.572,173 4.714,174 9.465,175 9.734,176 7.002,177 4.975,178 3.839,179 2.398,181 5,182 10,183 1.354,184 5.772,185 14,186 0.529,187 1.405,188 306.049,189 306.049,190 306.049,191 1,192 9.935,193 6.701,195 4.425,196 5.855,197 3.972,198 4,199 306.049,200 9.105,201 7.954,202 5.178,203 2.941,204 6.563,205 0.219,206 8.042,207 2.991,208 2.991,209 0.16,210 56,211 5.247,212 4.061,213 306.049,214 7.41}
{0 CHEMBL10188,3 11.811,4 11.811,5 11.811,6 19.431,7 6.981,8 6.981,9 3.669,10 3.669,11 5.669,12 5.24,13 3.24,14 3.24,15 4.282,16 4.282,17 3.299,18 3.299,19 5.299,20 3.299,24 27.275,25 4.618,26 4.618,27 4.618,28 29.735,29 37.081,30 34.63,31 1.275,32 24.872,33 22.399,34 7.618,35 32.17,36 2.121,37 4.704,38 4.704,40 2.042,41 2.06,42 6.783,43 20.064,44 5.591,45 12.16,46 17.805,47 9.986,48 16.666,49 13.504,50 10.97,51 2.136,52 6.268,53 15.512,54 18.067,55 14.395,56 13.219,57 3.96,58 13.234,60 16.908,61 2,62 27.011,63 1.679,64 5.324,65 10.106,66 29.495,67 0.64,68 5.076,69 13.745,70 11.601,72 5.899,73 5.038,74 1.939,75 10.856,76 7.916,77 8.708,78 56.567,79 4.279,80 4.145,81 4.846,82 18.173,83 4.892,84 0.489,85 17.542,86 15.736,88 13.421,89 25.696,90 2.419,91 25.165,92 4.027,94 1,95 0.443,96 27.593,97 10.265,98 14.598,99 1.509,100 4.122,101 4.641,102 16.317,103 12.655,104 11.12,105 0.751,106 14.476,107 7.678,108 12.156,109 9.33,110 9.33,111 10.84,112 23.804,113 21.919,114 10.113,115 10.13,116 12.325,117 6.412,118 8.823,119 20.042,120 12.676,121 1.511,122 1.526,123 1.807,124 2.162,125 12.68,126 4.158,128 50.694,129 15.357,130 11.252,131 4.095,132 2.144,133 4.094,134 3.97,135 4.989,136 10.864,138 10.336,139 8.008,140 1.137,141 24,142 5.076,143 4.793,144 1.438,145 4.89,146 0.961,147 14.4,148 91.37,149 4.049,150 5.104,152 6.031,153 4.172,154 4.99,155 21,156 1.06,157 7.681,158 4.184,159 4.718,160 1.459,161 5.043,162 10.352,163 6.494,164 0.125,165 4.499,166 4.673,167 1.555,168 3.111,169 1.426,172 28.716,173 4.874,174 9.452,175 9.417,176 7.017,177 4.912,178 3.883,181 4,182 3,183 1.234,184 5.782,185 14,186 0.218,187 1.92,188 235.422,189 235.422,190 235.422,191 1,192 9.654,193 6.703,195 4.461,196 5.866,197 4.042,198 2,199 235.422,200 9.117,201 7.863,202 3.566,203 2.804,204 5.057,205 0.23,206 7.547,207 2.854,208 2.854,209 0.091,210 54,211 5.037,212 4.112,213 235.422,214 5.73}
{0 CHEMBL102150,3 11.557,4 11.557,5 11.557,6 18.758,7 6.892,8 6.892,9 3.693,10 3.693,11 5.693,12 5.114,13 3.114,14 3.114,15 4.193,16 4.193,17 3.232,18 3.232,19 5.232,20 3.232,24 27.096,25 3.898,26 3.898,27 3.898,28 29.527,29 36.792,30 34.367,31 1.397,32 24.721,33 22.278,34 6.898,35 31.936,36 2.103,37 4.397,38 4.397,39 2.588,40 1.97,41 1.995,42 6.757,43 19.974,44 5.397,45 11.995,46 17.422,47 9.898,48 16.329,49 32.769,50 10.846,51 2.109,52 6.386,53 15.218,54 17.946,55 14.146,56 28.678,57 4.088,58 13.027,60 16.817,61 5,62 53.343,63 3.094,64 5.26,65 19.352,66 29.422,67 0.987,68 5.803,69 23.672,70 24.398,71 3.949,72 11.034,73 5.692,74 3.88,75 22.49,76 7.899,77 8.667,78 88.218,79 4.965,80 4.654,81 5.442,82 18.214,83 5.544,84 0.977,85 17.482,86 15.674,87 2,88 13.416,89 25.659,90 3.836,91 44.813,92 4.282,93 2.149,94 2,95 0.457,96 27.538,97 15.689,98 14.565,99 2.569,100 4.602,101 7.599,102 16.377,103 12.754,104 11.169,105 1.182,106 14.556,107 7.781,108 12.207,109 9.634,110 9.634,111 10.896,112 23.786,113 21.919,114 10.182,115 17.754,116 12.346,117 6.456,118 8.925,119 20.062,120 12.734,121 2.907,122 2.798,123 3.474,124 2.37,125 12.69,126 4.513,127 1.707,128 76.632,129 15.336,130 11.313,131 4.517,132 2.107,133 4.402,134 4.194,135 5.499,136 10.978,137 3.035,138 10.396,139 8.114,140 1.25,141 18,142 5.916,143 5.259,144 2.465,145 4.956,146 1.045,147 35.329,148 165.627,149 3.969,150 5.842,152 6.072,153 4.758,154 5.106,155 20,156 1.204,157 11.615,158 4.788,159 4.787,160 1.407,161 5.17,162 10.423,163 6.648,164 -0.85,165 4.98,166 4.71,167 2.75,168 4.222,169 2.238,170 3.489,172 58.394,173 5.619,174 9.532,175 12.413,176 7.127,177 5.583,178 3.878,181 3,182 15,183 1.282,184 5.654,185 9,186 0.717,187 2.329,188 506.157,189 506.157,190 506.157,192 12.926,193 6.819,195 4.546,196 5.994,197 3.968,198 11,199 506.157,200 9.242,201 10.465,202 5.135,203 2.898,204 7.192,205 0.204,206 7.484,207 2.957,208 2.957,210 80,211 5.193,212 4.051,213 506.157,214 5.476}
{0 CHEMBL102426,3 12.872,4 12.872,5 12.872,6 20.254,7 7.251,8 7.251,9 3.784,10 3.784,11 5.784,12 5.265,13 3.265,14 3.265,15 4.378,16 4.378,17 3.422,18 3.422,19 5.422,20 3.422,24 28.235,25 3.503,26 3.503,27 3.503,28 30.772,29 38.388,30 35.847,31 1.514,32 25.717,33 23.18,34 6.503,35 33.306,36 2.083,37 4.426,38 4.426,39 6.226,40 1.897,41 1.93,42 7.053,43 20.698,44 5.426,45 12.212,46 17.924,47 10.001,48 16.772,49 22.728,50 11.033,51 2.075,52 6.682,53 15.612,54 18.632,55 14.476,56 21.89,57 3.978,58 13.314,60 17.43,61 10,62 41.776,63 7.061,64 5.438,65 14.647,66 30.029,67 0.995,68 5.567,69 19.899,70 14.861,71 10.492,72 8.487,73 5.467,74 9.824,75 14.889,76 7.885,77 8.758,78 65.643,79 4.519,80 4.316,81 5.201,82 18.408,83 5.279,84 0.86,85 18.143,86 16.224,87 9,88 13.83,89 26.133,90 3.668,91 39.06,92 4.098,93 4.765,94 8,95 0.437,96 28.079,97 13.446,98 15.036,99 1.903,100 4.175,101 5.923,102 16.501,103 12.741,104 11.453,105 1.165,106 14.61,107 7.947,108 12.072,109 10.712,110 10.712,111 10.997,112 24.191,113 22.256,114 10.357,115 14.763,116 12.672,117 6.455,118 9.083,119 20.328,120 12.592,121 1.922,122 1.994,123 8.437,124 3.529,125 13.108,126 4.281,127 3.266,128 57.112,129 15.756,130 11.166,131 4.159,132 2.07,133 4.143,134 4.012,135 5.366,136 10.906,137 7.661,138 10.217,139 8.137,140 0.839,141 22,142 5.515,143 5.12,144 4.399,145 4.718,146 1.15,147 22.076,148 189.94,149 3.901,150 5.516,152 5.949,153 4.33,154 4.762,155 21,156 1.18,157 9.939,158 4.325,159 4.585,160 1.444,161 4.727,162 10.27,163 6.686,164 -0.836,165 4.779,166 4.466,167 5.707,168 2.889,169 1.8,170 9.08,171 7.14,172 45.239,173 5.238,174 9.367,175 9.994,176 6.932,177 5.245,178 3.846,179 3.045,181 4,182 15,183 1.211,184 5.4,185 9,186 0.67,187 1.636,188 376.675,189 376.675,190 376.675,192 10.237,193 6.678,194 1,195 4.351,196 5.814,197 3.901,198 12,199 376.675,200 9.119,201 8.194,202 5.313,203 2.878,204 6.805,205 0.222,206 7.119,207 3.032,208 3.032,210 61,211 4.644,212 4.026,213 376.675,214 4.495}
{0 CHEMBL1026,3 11.409,4 11.409,5 11.409,6 19.059,7 6.871,8 6.871,9 3.587,10 3.587,11 5.587,12 5.165,13 3.165,14 3.165,15 4.224,16 4.224,17 3.252,18 3.252,19 5.252,20 3.252,24 26.878,25 4.282,26 4.282,27 4.282,28 29.317,29 36.564,30 34.149,31 1.332,32 24.509,33 22.049,34 7.282,35 31.717,36 2.064,37 4.577,38 4.577,40 1.964,41 1.979,42 6.531,43 19.748,44 5.495,45 11.786,46 17.377,47 9.627,48 16.251,49 12.766,50 10.609,51 2.056,52 6.32,53 15.109,54 17.818,55 14.002,56 13.083,57 3.733,58 12.853,60 16.665,61 1,62 28.529,63 0.042,64 5.228,65 10.3,66 29.225,67 0.255,68 4.894,69 11.001,70 8.131,72 4.051,73 4.893,74 0.009,75 9.738,76 7.571,77 8.372,78 41.392,79 3.588,80 3.983,81 4.699,82 17.944,83 4.669,84 0.218,85 17.227,86 15.501,87 1,88 13.197,89 25.441,90 2.253,91 21.834,92 3.731,94 1,95 0.438,96 27.331,97 8.796,98 14.365,99 1.145,100 3.764,101 3.502,102 16.093,103 12.438,104 10.908,105 0.808,106 14.257,107 7.448,108 11.867,109 9.354,110 9.354,111 10.586,112 23.556,113 21.678,114 9.884,115 7.383,116 12.097,117 6.115,118 8.628,119 19.807,120 12.389,121 0.919,122 1.096,123 0.019,124 1.36,125 12.397,126 3.969,128 37.476,129 15.076,130 10.965,131 3.86,132 2.05,133 3.9,134 3.685,135 4.763,136 10.646,138 10.045,139 7.771,140 0.258,141 19,142 4.609,143 4.596,144 0.187,145 4.489,146 0.675,147 9.988,148 163.363,149 3.982,150 4.731,152 5.694,153 3.887,154 4.543,155 17,156 0.941,157 5.956,158 3.679,159 4.477,160 1.416,161 4.575,162 10.067,163 6.33,164 1.874,165 4.224,166 4.357,167 0.089,168 3.111,169 1.077,171 5.198,172 31.112,173 4.373,174 9.166,175 6.612,176 6.725,177 4.533,178 3.598,180 1,181 3,182 4,183 1.177,184 5.222,185 12,187 1.413,188 141.253,189 141.253,190 141.253,192 6.765,193 6.454,194 1,195 4.118,196 5.602,197 3.984,198 3,199 141.253,200 8.891,201 5.416,202 3.124,203 2.702,204 4.334,205 0.295,206 6.883,207 2.828,208 2.828,209 0.118,210 39,211 4.543,212 4.044,213 141.253,214 4.034}
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{0 CHEMBL111233,3 13.234,4 13.234,5 13.234,6 20.811,7 7.483,8 7.483,9 4.475,10 4.475,11 6.475,12 5.338,13 3.338,14 3.338,15 4.436,16 4.436,17 3.483,18 3.483,19 5.483,20 3.483,24 28.747,25 4.336,26 4.336,27 4.336,28 31.306,29 38.984,30 36.423,31 1.418,32 26.205,33 23.644,34 7.336,35 33.861,36 2.168,37 4.631,38 4.631,39 12.074,40 2.059,41 2.079,42 7.17,43 21.132,44 5.631,45 12.505,46 18.304,47 10.256,48 17.135,49 17.142,50 11.309,51 2.151,52 7.225,53 15.958,54 19.169,55 14.805,56 17.794,57 4.235,58 13.626,60 17.951,61 2,62 42.929,63 13.416,64 5.471,65 14.701,66 30.704,67 0.825,68 5.197,69 14.99,70 11.568,71 20.124,72 5.758,73 5.282,74 18.783,75 13.054,76 8.1,77 9,78 56.653,79 4.021,80 4.211,81 5.056,82 18.856,83 4.936,84 0.549,85 18.553,86 16.728,87 2,88 14.298,89 26.733,90 3.134,91 27.906,92 4.051,93 9.389,94 2,95 0.429,96 28.717,97 12.312,98 15.52,99 1.906,100 3.957,101 5.014,102 16.912,103 13.081,104 11.88,105 0.948,106 14.985,107 8.292,108 12.191,109 12.124,110 12.124,111 11.296,112 24.753,113 22.78,114 10.743,115 10.114,116 13.111,117 6.674,118 9.47,119 20.813,120 12.714,121 1.67,122 1.756,123 16.1,124 5.335,125 13.465,126 4.251,127 6.69,128 50.894,129 16.126,130 11.287,131 4.11,132 2.14,133 4.172,134 4.017,135 5.077,136 11.21,137 14.758,138 10.466,139 8.458,140 1.089,141 24,142 5.052,143 4.897,144 8.058,145 4.754,146 0.867,147 14.286,148 91.965,149 4.049,150 5.086,152 6.118,153 4.076,154 4.844,155 25,156 1.072,157 8.67,158 3.975,159 4.682,160 1.435,161 4.942,162 10.404,163 7.048,164 -0.371,165 4.602,166 4.615,167 10.734,168 4.444,169 1.764,170 17.441,172 33.853,173 4.806,174 9.5,175 9.249,176 7.119,177 4.855,178 3.819,181 4,182 7,183 1.298,184 5.544,185 20,186 0.296,187 1.72,188 235.422,189 235.422,190 235.422,191 1,192 9.449,193 6.905,194 1,195 4.464,196 6.004,197 4.054,199 280.302,200 9.386,201 7.538,202 4.222,203 2.926,204 6.042,205 0.273,206 7.792,207 3.32,208 3.32,209 0.091,210 53,211 4.997,212 4.098,213 235.422,214 8.602}
{0 CHEMBL111347,3 13.218,4 13.218,5 13.218,6 20.724,7 7.479,8 7.479,9 4.461,10 4.461,11 6.461,12 5.337,13 3.337,14 3.337,15 4.428,16 4.428,17 3.468,18 3.468,19 5.468,20 3.468,24 28.647,25 3.982,26 3.982,27 3.982,28 31.2,29 38.872,30 36.312,31 1.621,32 26.11,33 23.559,34 6.982,35 33.752,36 2.181,37 4.587,38 4.587,39 12.074,40 1.958,41 1.998,42 7.166,43 21.055,44 5.587,45 12.494,46 18.292,47 10.243,48 17.122,49 23.343,50 11.298,51 2.147,52 7.107,53 15.946,54 19.094,55 14.793,56 24.377,57 4.19,58 13.615,60 17.882,61 10,62 48.828,63 13.416,64 5.464,65 17.419,66 30.637,67 0.942,68 5.581,69 21.993,70 13.147,71 20.124,72 8.23,73 5.594,74 18.783,75 16.012,76 8.079,77 8.987,78 65.37,79 4.387,80 4.381,81 5.32,82 18.822,83 5.27,84 0.825,85 18.49,86 16.667,87 10,88 14.249,89 26.678,90 4.657,91 41.263,92 4.137,93 9.389,94 9,95 0.428,96 28.656,97 15.67,98 15.465,99 2.28,100 4.076,101 6.383,102 16.879,103 13.044,104 11.841,105 1.246,106 14.952,107 8.26,108 12.141,109 11.653,110 11.653,111 11.252,112 24.705,113 22.737,114 10.708,115 15.082,116 13.069,117 6.651,118 9.435,119 20.775,120 12.664,121 1.818,122 2.03,123 16.1,124 5.335,125 13.427,126 4.375,127 6.69,128 57.105,129 16.071,130 11.239,131 4.213,132 2.129,133 4.248,134 4.063,135 5.427,136 11.167,137 14.758,138 10.412,139 8.419,140 1.068,141 24,142 5.258,143 5.182,144 8.058,145 4.779,146 1.052,147 18.783,148 139.049,149 3.946,150 5.408,152 6.084,153 4.262,154 4.852,155 24,156 1.202,157 11.231,158 4.079,159 4.673,160 1.462,161 5.011,162 10.35,163 7.004,164 -0.382,165 4.798,166 4.585,167 10.734,168 4.444,169 2.134,170 17.441,172 46.384,173 4.976,174 9.448,175 10.227,176 7.06,177 5.114,178 3.808,180 2,181 4,182 16,183 1.406,184 5.983,185 17,186 0.618,187 1.467,188 341.362,189 341.362,190 341.362,191 1,192 10.372,193 6.849,194 3,195 4.419,196 5.943,197 3.948,198 4,199 386.242,200 9.337,201 8.323,202 5.713,203 2.938,204 7.381,205 0.242,206 7.678,207 3.282,208 3.282,209 0.091,210 60,211 5.094,212 4.044,213 341.362,214 7.678}
{0 CHEMBL111530,1 228.987,2 2,3 18.855,4 18.855,5 18.855,6 28.88,7 8.923,8 8.923,9 4.318,10 4.318,11 6.318,12 5.991,13 3.991,14 3.991,15 5.059,16 5.059,17 4.081,18 4.081,19 6.081,20 4.081,21 42.913,22 1,23 1.946,24 32.316,25 4.644,26 4.644,27 4.644,28 35.25,29 44.054,30 41.118,31 1.58,32 29.391,33 26.459,34 7.644,35 38.183,36 2.146,37 5.146,38 5.146,39 0.125,40 2.03,41 2.05,42 8.725,43 23.56,44 6.146,45 14.039,46 20.806,47 11.437,48 19.438,49 31.565,50 12.697,51 2.146,52 7.224,53 18.072,54 21.142,55 16.718,56 28.946,57 4.904,58 15.364,59 1,60 19.752,61 7,62 59.216,63 2.611,64 6.153,65 22.193,66 32.906,67 1.076,68 5.831,69 24.427,70 22.279,71 0.035,72 9.092,73 5.79,74 3.058,75 23.594,76 8.983,77 10.086,78 82.561,79 4.759,80 4.833,81 5.59,82 20.054,83 5.607,84 0.942,85 20.627,86 18.364,87 7,88 15.612,89 28.578,90 7.127,91 46.042,92 4.517,93 0.188,94 5,95 0.407,96 30.739,97 18.653,98 16.988,99 3.046,100 4.716,101 7.235,102 17.972,103 13.909,104 12.901,105 1.15,106 15.921,107 9.097,108 13.397,109 12.097,110 12.097,111 12.356,112 26.427,113 24.286,114 11.618,115 16.89,116 14.264,117 7.528,118 10.247,119 22.16,120 13.855,121 2.878,122 3.051,123 2.831,124 2.302,125 14.846,126 4.748,127 0.268,128 73.869,129 17.818,130 12.393,131 4.76,132 2.144,133 4.693,134 4.477,135 5.567,136 11.946,137 0.082,138 11.247,139 9.12,140 2.031,141 49,142 5.704,143 5.392,144 2.212,145 6.323,146 1.102,147 29.724,148 161.226,149 4.162,150 5.772,151 1,152 6.791,153 4.814,154 6.668,155 48,156 1.147,157 13.008,158 4.753,159 5.969,160 1.534,161 6.942,162 11.394,163 7.645,164 1.338,165 5.03,166 5.638,167 2.403,168 7.167,169 2.57,170 0.054,171 8.267,172 61.799,173 5.478,174 10.398,175 14.511,176 7.66,177 5.55,178 3.957,179 4.111,180 1,181 9,182 13,183 1.204,184 6.484,185 17,186 0.825,187 4.289,188 341.362,189 341.362,190 341.362,191 3,192 14.771,193 7.56,194 2,195 5.006,196 6.544,197 4.155,198 7,199 341.362,200 10.047,201 11.76,202 8.525,203 3.15,204 10.43,205 0.221,206 10.878,207 3.199,208 3.199,209 0.529,210 82,211 7.19,212 4.237,213 341.362,214 7.357}
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{0 CHEMBL1161417,3 9.886,4 9.886,5 9.886,6 16.721,7 6.445,8 6.445,9 3.809,10 3.809,11 5.809,12 5.021,13 3.021,14 3.021,15 4.035,16 4.035,17 3.041,18 3.041,19 5.041,20 3.041,24 25.976,25 4.072,26 4.072,27 4.072,28 28.274,29 35.07,30 32.806,31 1.341,32 23.77,33 21.443,34 7.072,35 30.519,36 2.084,37 4.39,38 4.39,39 6.508,40 1.943,41 1.966,42 6.247,43 19.314,44 5.333,45 12.067,46 17.351,47 10.024,48 16.29,49 28.345,50 10.926,51 2.066,52 6.423,53 15.2,54 17.496,55 14.163,56 27.429,57 4.32,58 13.059,60 16.427,61 8,62 56.211,63 7.29,64 5.049,65 19.271,66 28.926,67 0.99,68 5.751,69 24.203,70 19.392,71 10.508,72 10.576,73 5.714,74 9.88,75 19.809,76 8.07,77 8.792,78 92.431,79 4.908,80 4.597,81 5.477,82 18.034,83 5.506,84 0.885,85 16.914,86 15.331,88 13.176,89 25.272,90 3.21,91 46.95,92 4.384,93 5.139,94 4,95 0.455,96 27.097,97 17.487,98 14.285,99 2.522,100 4.498,101 7.952,102 16.246,103 12.716,104 11.029,105 1.118,106 14.472,107 7.689,108 12.058,109 9.813,110 9.813,111 10.75,112 23.453,113 21.639,114 10.112,115 18.308,116 12.173,117 6.628,118 8.879,119 19.832,120 12.615,121 2.626,122 2.572,123 8.579,124 3.429,125 12.367,126 4.563,127 3.719,128 81.73,129 14.949,130 11.203,131 4.482,132 2.056,133 4.465,134 4.309,135 5.528,136 10.985,137 7.853,138 10.393,139 8.138,140 1.516,141 18,142 5.798,143 5.323,144 4.787,145 4.511,146 1.133,147 27.75,148 163.6,149 3.94,150 5.775,152 6.269,153 4.607,154 4.554,155 22,156 1.227,157 13.421,158 4.609,159 4.533,160 1.45,161 4.543,162 10.36,163 6.698,164 4.504,165 4.976,166 4.585,167 6.02,168 4.667,169 2.284,170 9.184,172 58.054,173 5.554,174 9.506,175 13.279,176 7.241,177 5.533,178 3.94,180 1,181 3,182 11,183 1.301,184 5.847,185 23,186 0.719,187 2.627,188 388.446,189 388.446,190 388.446,192 13.681,193 6.872,194 1,195 4.737,196 6.111,197 3.944,198 6,199 388.446,200 9.29,201 11.059,202 4.918,203 2.973,204 7.316,205 0.22,206 7.4,207 3.004,208 3.004,210 84,211 4.489,212 4.016,213 388.446,214 8.796}
{0 CHEMBL1161419,3 10.801,4 10.801,5 10.801,6 18.136,7 6.716,8 6.716,9 3.942,10 3.942,11 5.942,12 5.04,13 3.04,14 3.04,15 4.115,16 4.115,17 3.148,18 3.148,19 5.148,20 3.148,24 26.393,25 3.497,26 3.497,27 3.497,28 28.759,29 35.796,30 33.449,31 1.259,32 24.111,33 21.728,34 6.497,35 31.084,36 2.063,37 4.27,38 4.27,39 7.372,40 1.903,41 1.933,42 6.518,43 19.531,44 5.258,45 12.023,46 17.255,47 10.002,48 16.203,49 22.461,50 10.887,51 2.047,52 6.166,53 15.122,54 17.633,55 14.096,56 22.507,57 4.261,58 13,60 16.543,61 9,62 51.136,63 8.18,64 5.166,65 15.913,66 29.079,67 1.007,68 5.609,69 22.801,70 17.199,71 11.501,72 9.575,73 5.612,74 10.853,75 15.637,76 8.065,77 8.767,78 87.972,79 4.774,80 4.481,81 5.381,82 18.078,83 5.391,84 0.918,85 17.092,86 15.428,87 3,88 13.24,89 25.383,90 3.31,91 46.369,92 4.364,93 5.957,94 5,95 0.45,96 27.228,97 16.15,98 14.365,99 2.342,100 4.454,101 7.054,102 16.277,103 12.727,104 11.063,105 1.014,106 14.492,107 7.703,108 12.149,109 9.104,110 9.104,111 10.799,112 23.544,113 21.713,114 10.144,115 16.878,116 12.225,117 6.603,118 8.887,119 19.891,120 12.698,121 2.613,122 2.419,123 9.51,124 3.522,125 12.462,126 4.509,127 4.481,128 77.956,129 15.067,130 11.285,131 4.41,132 2.042,133 4.415,134 4.298,135 5.536,136 10.99,137 8.76,138 10.403,139 8.156,140 1.485,141 23,142 5.726,143 5.313,144 5.594,145 4.718,146 1.206,147 24.646,148 218.291,149 3.909,150 5.708,152 6.275,153 4.511,154 4.852,155 24,156 1.223,157 12.052,158 4.576,159 4.635,160 1.46,161 4.898,162 10.428,163 6.673,164 2.88,165 4.965,166 4.682,167 6.87,168 4,169 2.307,170 10.134,171 6.605,172 51.352,173 5.494,174 9.568,175 13.497,176 7.259,177 5.473,178 3.94,179 2.398,181 4,182 10,183 1.228,184 5.852,185 15,186 0.825,187 2.543,188 364.904,189 364.904,190 364.904,192 13.755,193 6.889,195 4.76,196 6.125,197 3.913,198 10,199 364.904,200 9.293,201 11.163,202 5.143,203 2.87,204 7.312,205 0.231,206 7.732,207 2.916,208 2.916,210 81,211 4.913,212 4.009,213 364.904,214 7.509}
{0 CHEMBL1161422,3 9.886,4 9.886,5 9.886,6 16.721,7 6.445,8 6.445,9 3.755,10 3.755,11 5.755,12 5.021,13 3.021,14 3.021,15 4.034,16 4.034,17 3.041,18 3.041,19 5.041,20 3.041,24 25.86,25 4.072,26 4.072,27 4.072,28 28.162,29 34.97,30 32.703,31 1.341,32 23.645,33 21.314,34 7.072,35 30.412,36 2.084,37 4.39,38 4.39,39 5.75,40 1.943,41 1.965,42 6.247,43 19.175,44 5.326,45 11.921,46 17.208,47 9.882,48 16.146,49 26.593,50 10.771,51 2.066,52 6.406,53 15.053,54 17.343,55 14.016,56 26.274,57 4.148,58 12.908,60 16.274,61 7,62 51.732,63 6.501,64 5.041,65 18.544,66 28.789,67 0.989,68 5.677,69 23.597,70 18.081,71 9.674,72 10.465,73 5.64,74 9.051,75 18.601,76 7.938,77 8.632,78 87.723,79 4.909,80 4.524,81 5.398,82 17.881,83 5.42,84 0.881,85 16.773,86 15.177,88 13.02,89 25.128,90 2.995,91 44.261,92 4.339,93 4.409,94 4,95 0.456,96 26.956,97 16.936,98 14.132,99 2.342,100 4.374,101 7.811,102 16.095,103 12.571,104 10.872,105 1.084,106 14.323,107 7.535,108 11.916,109 9.735,110 9.735,111 10.602,112 23.305,113 21.489,114 9.969,115 17.865,116 12.023,117 6.463,118 8.721,119 19.68,120 12.478,121 2.359,122 2.371,123 7.771,124 3.306,125 12.217,126 4.507,127 3.032,128 77.301,129 14.799,130 11.068,131 4.388,132 2.055,133 4.394,134 4.253,135 5.475,136 10.847,137 7.068,138 10.284,139 8.008,140 1.492,141 18,142 5.659,143 5.261,144 4.044,145 4.331,146 1.133,147 25.987,148 138.455,149 3.938,150 5.687,152 6.154,153 4.509,154 4.382,155 20,156 1.222,157 13.01,158 4.488,159 4.382,160 1.433,161 4.394,162 10.233,163 6.538,164 2.894,165 4.927,166 4.454,167 5.252,168 4.222,169 2.143,170 8.374,172 53.009,173 5.406,174 9.387,175 12.679,176 7.146,177 5.426,178 3.936,180 1,181 3,182 11,183 1.3,184 5.341,185 23,186 0.719,187 2.067,188 400.217,189 400.217,190 400.217,192 13.077,193 6.751,194 1,195 4.644,196 6.009,197 3.942,198 6,199 400.217,200 9.161,201 10.575,202 4.673,203 2.947,204 6.929,205 0.212,206 7.288,207 2.972,208 2.972,210 80,211 4.369,212 4.011,213 400.217,214 9.143}
{0 CHEMBL1161423,3 9.886,4 9.886,5 9.886,6 16.721,7 6.445,8 6.445,9 3.855,10 3.855,11 5.855,12 5.021,13 3.021,14 3.021,15 4.034,16 4.034,17 3.041,18 3.041,19 5.041,20 3.041,24 25.906,25 4.072,26 4.072,27 4.072,28 28.207,29 35.013,30 32.746,31 1.34,32 23.696,33 21.365,34 7.072,35 30.455,36 2.083,37 4.39,38 4.39,39 7.992,40 1.943,41 1.965,42 6.247,43 19.235,44 5.332,45 11.928,46 17.191,47 9.9,48 16.133,49 27.219,50 10.784,51 2.065,52 6.415,53 15.045,54 17.411,55 14.014,56 26.936,57 4.21,58 12.91,60 16.343,61 8,62 54.933,63 8.963,64 5.095,65 19.596,66 28.832,67 0.986,68 5.702,69 24.058,70 19.842,71 13.391,72 10.706,73 5.677,74 12.512,75 19.778,76 7.967,77 8.659,78 91.059,79 4.958,80 4.563,81 5.449,82 17.946,83 5.471,84 0.937,85 16.832,86 15.247,88 13.093,89 25.177,90 3.095,91 46.694,92 4.364,93 6.158,94 4,95 0.456,96 27.002,97 17.783,98 14.203,99 2.374,100 4.46,101 8.321,102 16.162,103 12.644,104 10.947,105 1.129,106 14.394,107 7.618,108 12.008,109 9.783,110 9.783,111 10.683,112 23.358,113 21.545,114 10.042,115 18.171,116 12.095,117 6.506,118 8.8,119 19.741,120 12.566,121 2.473,122 2.409,123 10.734,124 4.174,125 12.287,126 4.537,127 4.269,128 80.738,129 14.871,130 11.155,131 4.45,132 2.055,133 4.439,134 4.291,135 5.509,136 10.92,137 9.802,138 10.35,139 8.079,140 1.491,141 18,142 5.765,143 5.309,144 5.488,145 4.454,146 1.133,147 27.401,148 149.455,149 3.938,150 5.746,152 6.191,153 4.565,154 4.5,155 21,156 1.245,157 13.698,158 4.568,159 4.489,160 1.42,161 4.489,162 10.316,163 6.621,164 2.86,165 4.974,166 4.543,167 7.208,168 4.222,169 2.167,170 11.599,172 56.244,173 5.527,174 9.463,175 13.123,176 7.204,177 5.509,178 3.939,180 1,181 3,182 12,183 1.295,184 5.586,185 23,186 0.719,187 2.387,188 411.989,189 411.989,190 411.989,192 13.515,193 6.823,194 1,195 4.684,196 6.071,197 3.942,198 6,199 411.989,200 9.233,201 10.909,202 4.814,203 2.926,204 7.132,205 0.211,206 7.363,207 2.989,208 2.989,210 83,211 4.454,212 4.012,213 411.989,214 9.357}
{0 CHEMBL1161424,3 9.886,4 9.886,5 9.886,6 16.721,7 6.445,8 6.445,9 3.838,10 3.838,11 5.838,12 5.021,13 3.021,14 3.021,15 4.034,16 4.034,17 3.041,18 3.041,19 5.041,20 3.041,24 25.86,25 4.072,26 4.072,27 4.072,28 28.162,29 34.97,30 32.703,31 1.34,32 23.645,33 21.314,34 7.072,35 30.412,36 2.083,37 4.39,38 4.39,39 7.992,40 1.943,41 1.965,42 6.247,43 19.175,44 5.326,45 11.886,46 17.156,47 9.853,48 16.097,49 25.554,50 10.738,51 2.065,52 6.406,53 15.007,54 17.343,55 13.975,56 25.405,57 4.136,58 12.869,60 16.274,61 7,62 51.066,63 8.963,64 5.082,65 18.491,66 28.789,67 0.985,68 5.637,69 22.897,70 17.84,71 13.391,72 10.267,73 5.609,74 12.512,75 18.487,76 7.916,77 8.607,78 86.434,79 4.906,80 4.496,81 5.379,82 17.881,83 5.392,84 0.853,85 16.773,86 15.177,88 13.02,89 25.128,90 2.904,91 43.279,92 4.322,93 6.158,94 4,95 0.456,96 26.956,97 16.88,98 14.132,99 2.24,100 4.352,101 7.906,102 16.095,103 12.571,104 10.872,105 1.078,106 14.323,107 7.535,108 11.916,109 9.735,110 9.735,111 10.602,112 23.305,113 21.489,114 9.969,115 17.421,116 12.023,117 6.444,118 8.721,119 19.68,120 12.478,121 2.231,122 2.245,123 10.734,124 4.174,125 12.217,126 4.486,127 4.269,128 76.527,129 14.799,130 11.068,131 4.373,132 2.055,133 4.381,134 4.243,135 5.444,136 10.847,137 9.802,138 10.284,139 8.008,140 1.488,141 18,142 5.614,143 5.24,144 5.488,145 4.331,146 1.133,147 24.739,148 149.455,149 3.937,150 5.643,152 6.138,153 4.473,154 4.382,155 20,156 1.211,157 13.051,158 4.448,159 4.382,160 1.425,161 4.394,162 10.233,163 6.538,164 2.109,165 4.919,166 4.454,167 7.208,168 4.222,169 2.055,170 11.599,172 51.886,173 5.373,174 9.387,175 12.563,176 7.146,177 5.396,178 3.935,180 1,181 3,182 11,183 1.293,184 5.341,185 23,186 0.719,187 2.067,188 400.217,189 400.217,190 400.217,192 12.953,193 6.751,194 1,195 4.635,196 6.009,197 3.941,198 6,199 400.217,200 9.161,201 10.461,202 4.563,203 2.919,204 6.817,205 0.21,206 7.288,207 2.972,208 2.972,210 79,211 4.369,212 4.009,213 400.217,214 8.377}
{0 CHEMBL1161425,3 9.886,4 9.886,5 9.886,6 16.721,7 6.445,8 6.445,9 3.902,10 3.902,11 5.902,12 5.021,13 3.021,14 3.021,15 4.034,16 4.034,17 3.041,18 3.041,19 5.041,20 3.041,24 25.976,25 4.072,26 4.072,27 4.072,28 28.274,29 35.07,30 32.806,31 1.34,32 23.77,33 21.443,34 7.072,35 30.519,36 2.083,37 4.39,38 4.39,39 8.18,40 1.943,41 1.965,42 6.247,43 19.314,44 5.333,45 12.01,46 17.265,47 9.979,48 16.209,49 27.042,50 10.872,51 2.065,52 6.423,53 15.124,54 17.496,55 14.093,56 26.414,57 4.302,58 12.994,60 16.427,61 8,62 54.949,63 9.175,64 5.098,65 19.257,66 28.926,67 0.985,68 5.704,69 23.452,70 19.153,71 13.563,72 10.374,73 5.674,74 12.694,75 19.559,76 8.037,77 8.75,78 91.142,79 4.899,80 4.566,81 5.45,82 18.034,83 5.473,84 0.857,85 16.914,86 15.331,88 13.176,89 25.272,90 3.111,91 46.118,92 4.366,93 6.378,94 4,95 0.455,96 27.097,97 17.445,98 14.285,99 2.389,100 4.477,101 8.049,102 16.246,103 12.716,104 11.029,105 1.113,106 14.472,107 7.689,108 12.058,109 9.813,110 9.813,111 10.75,112 23.453,113 21.639,114 10.112,115 17.857,116 12.173,117 6.598,118 8.879,119 19.832,120 12.615,121 2.499,122 2.434,123 10.924,124 4.289,125 12.367,126 4.539,127 4.543,128 80.956,129 14.949,130 11.203,131 4.463,132 2.055,133 4.45,134 4.3,135 5.498,136 10.985,137 9.973,138 10.393,139 8.138,140 1.508,141 18,142 5.758,143 5.305,144 5.807,145 4.511,146 1.133,147 26.447,148 174.6,149 3.939,150 5.735,152 6.248,153 4.571,154 4.554,155 22,156 1.215,157 13.479,158 4.574,159 4.533,160 1.443,161 4.543,162 10.36,163 6.698,164 3.663,165 4.969,166 4.585,167 7.462,168 4.667,169 2.175,170 11.767,172 56.31,173 5.526,174 9.506,175 13.179,176 7.241,177 5.506,178 3.939,180 1,181 3,182 11,183 1.294,184 5.847,185 23,186 0.719,187 2.627,188 388.446,189 388.446,190 388.446,192 13.57,193 6.872,194 1,195 4.727,196 6.111,197 3.942,198 6,199 388.446,200 9.29,201 10.961,202 4.798,203 2.934,204 7.179,205 0.219,206 7.4,207 3.004,208 3.004,210 83,211 4.489,212 4.013,213 388.446,214 9.347}
{0 CHEMBL1161427,3 9.886,4 9.886,5 9.886,6 16.721,7 6.445,8 6.445,9 3.765,10 3.765,11 5.765,12 5.021,13 3.021,14 3.021,15 4.035,16 4.035,17 3.041,18 3.041,19 5.041,20 3.041,24 25.906,25 4.072,26 4.072,27 4.072,28 28.207,29 35.013,30 32.746,31 1.342,32 23.696,33 21.365,34 7.072,35 30.455,36 2.084,37 4.39,38 4.39,39 5.75,40 1.943,41 1.966,42 6.247,43 19.235,44 5.332,45 11.977,46 17.259,47 9.94,48 16.198,49 28.388,50 10.831,51 2.066,52 6.415,53 15.106,54 17.411,55 14.07,56 28.082,57 4.229,58 12.964,60 16.343,61 8,62 56.349,63 6.501,64 5.047,65 19.78,66 28.832,67 0.994,68 5.745,69 24.812,70 20.074,71 9.674,72 10.903,73 5.721,74 9.051,75 19.953,76 7.997,77 8.698,78 92.348,79 4.958,80 4.594,81 5.479,82 17.946,83 5.5,84 0.952,85 16.832,86 15.247,88 13.093,89 25.177,90 3.194,91 47.393,92 4.382,93 4.409,94 4,95 0.456,96 27.002,97 17.735,98 14.203,99 2.501,100 4.48,101 8.221,102 16.162,103 12.644,104 10.947,105 1.134,106 14.394,107 7.618,108 12.008,109 9.783,110 9.783,111 10.683,112 23.358,113 21.545,114 10.042,115 18.618,116 12.095,117 6.536,118 8.8,119 19.741,120 12.566,121 2.6,122 2.542,123 7.771,124 3.306,125 12.287,126 4.562,127 3.032,128 81.512,129 14.871,130 11.155,131 4.468,132 2.056,133 4.453,134 4.3,135 5.539,136 10.92,137 7.068,138 10.35,139 8.079,140 1.497,141 18,142 5.805,143 5.326,144 4.044,145 4.454,146 1.133,147 28.659,148 138.455,149 3.94,150 5.786,152 6.212,153 4.599,154 4.5,155 21,156 1.256,157 13.638,158 4.603,159 4.489,160 1.428,161 4.489,162 10.316,163 6.621,164 3.672,165 4.981,166 4.543,167 5.252,168 4.222,169 2.276,170 8.374,172 57.676,173 5.555,174 9.463,175 13.222,176 7.204,177 5.536,178 3.939,180 1,181 3,182 12,183 1.307,184 5.586,185 23,186 0.719,187 2.387,188 411.989,189 411.989,190 411.989,192 13.626,193 6.823,194 1,195 4.695,196 6.071,197 3.944,198 6,199 411.989,200 9.233,201 11.011,202 4.935,203 2.959,204 7.265,205 0.213,206 7.363,207 2.989,208 2.989,210 84,211 4.454,212 4.015,213 411.989,214 9.796}
{0 CHEMBL1161428,3 9.886,4 9.886,5 9.886,6 16.721,7 6.445,8 6.445,9 3.755,10 3.755,11 5.755,12 5.021,13 3.021,14 3.021,15 4.034,16 4.034,17 3.041,18 3.041,19 5.041,20 3.041,24 25.86,25 4.072,26 4.072,27 4.072,28 28.162,29 34.97,30 32.703,31 1.341,32 23.645,33 21.314,34 7.072,35 30.412,36 2.084,37 4.39,38 4.39,39 5.75,40 1.943,41 1.965,42 6.247,43 19.175,44 5.326,45 11.921,46 17.208,47 9.882,48 16.146,49 26.593,50 10.771,51 2.066,52 6.406,53 15.053,54 17.343,55 14.016,56 26.274,57 4.148,58 12.908,60 16.274,61 7,62 51.732,63 6.501,64 5.041,65 18.544,66 28.789,67 0.989,68 5.677,69 23.597,70 18.081,71 9.674,72 10.465,73 5.64,74 9.051,75 18.601,76 7.938,77 8.632,78 87.723,79 4.909,80 4.524,81 5.398,82 17.881,83 5.42,84 0.881,85 16.773,86 15.177,88 13.02,89 25.128,90 2.995,91 44.261,92 4.339,93 4.409,94 4,95 0.456,96 26.956,97 16.936,98 14.132,99 2.342,100 4.374,101 7.811,102 16.095,103 12.571,104 10.872,105 1.084,106 14.323,107 7.535,108 11.916,109 9.735,110 9.735,111 10.602,112 23.305,113 21.489,114 9.969,115 17.865,116 12.023,117 6.463,118 8.721,119 19.68,120 12.478,121 2.359,122 2.371,123 7.771,124 3.306,125 12.217,126 4.507,127 3.032,128 77.301,129 14.799,130 11.068,131 4.388,132 2.055,133 4.394,134 4.253,135 5.475,136 10.847,137 7.068,138 10.284,139 8.008,140 1.492,141 18,142 5.659,143 5.261,144 4.044,145 4.331,146 1.133,147 25.987,148 138.455,149 3.938,150 5.687,152 6.154,153 4.509,154 4.382,155 20,156 1.222,157 13.01,158 4.488,159 4.382,160 1.433,161 4.394,162 10.233,163 6.538,164 2.894,165 4.927,166 4.454,167 5.252,168 4.222,169 2.143,170 8.374,172 53.009,173 5.406,174 9.387,175 12.679,176 7.146,177 5.426,178 3.936,180 1,181 3,182 11,183 1.3,184 5.341,185 23,186 0.719,187 2.067,188 400.217,189 400.217,190 400.217,192 13.077,193 6.751,194 1,195 4.644,196 6.009,197 3.942,198 6,199 400.217,200 9.161,201 10.575,202 4.673,203 2.947,204 6.929,205 0.212,206 7.288,207 2.972,208 2.972,210 80,211 4.369,212 4.011,213 400.217,214 9.194}
{0 CHEMBL1161429,3 9.886,4 9.886,5 9.886,6 16.721,7 6.445,8 6.445,9 3.755,10 3.755,11 5.755,12 5.021,13 3.021,14 3.021,15 4.034,16 4.034,17 3.041,18 3.041,19 5.041,20 3.041,24 25.86,25 4.072,26 4.072,27 4.072,28 28.162,29 34.97,30 32.703,31 1.341,32 23.645,33 21.314,34 7.072,35 30.412,36 2.084,37 4.39,38 4.39,39 5.75,40 1.943,41 1.965,42 6.247,43 19.175,44 5.326,45 11.921,46 17.208,47 9.882,48 16.146,49 26.593,50 10.771,51 2.066,52 6.406,53 15.053,54 17.343,55 14.016,56 26.274,57 4.148,58 12.908,60 16.274,61 7,62 51.732,63 6.501,64 5.041,65 18.544,66 28.789,67 0.989,68 5.677,69 23.597,70 18.081,71 9.674,72 10.465,73 5.64,74 9.051,75 18.601,76 7.938,77 8.632,78 87.723,79 4.909,80 4.524,81 5.398,82 17.881,83 5.42,84 0.881,85 16.773,86 15.177,88 13.02,89 25.128,90 2.995,91 44.261,92 4.339,93 4.409,94 4,95 0.456,96 26.956,97 16.936,98 14.132,99 2.342,100 4.374,101 7.811,102 16.095,103 12.571,104 10.872,105 1.084,106 14.323,107 7.535,108 11.916,109 9.735,110 9.735,111 10.602,112 23.305,113 21.489,114 9.969,115 17.865,116 12.023,117 6.463,118 8.721,119 19.68,120 12.478,121 2.359,122 2.371,123 7.771,124 3.306,125 12.217,126 4.507,127 3.032,128 77.301,129 14.799,130 11.068,131 4.388,132 2.055,133 4.394,134 4.253,135 5.475,136 10.847,137 7.068,138 10.284,139 8.008,140 1.492,141 18,142 5.659,143 5.261,144 4.044,145 4.331,146 1.133,147 25.987,148 138.455,149 3.938,150 5.687,152 6.154,153 4.509,154 4.382,155 20,156 1.222,157 13.01,158 4.488,159 4.382,160 1.433,161 4.394,162 10.233,163 6.538,164 2.894,165 4.927,166 4.454,167 5.252,168 4.222,169 2.143,170 8.374,172 53.009,173 5.406,174 9.387,175 12.679,176 7.146,177 5.426,178 3.936,180 1,181 3,182 11,183 1.3,184 5.341,185 23,186 0.719,187 2.067,188 400.217,189 400.217,190 400.217,192 13.077,193 6.751,194 1,195 4.644,196 6.009,197 3.942,198 6,199 400.217,200 9.161,201 10.575,202 4.673,203 2.947,204 6.929,205 0.212,206 7.288,207 2.972,208 2.972,210 80,211 4.369,212 4.011,213 400.217,214 9.432}
{0 CHEMBL1161430,3 9.886,4 9.886,5 9.886,6 16.721,7 6.445,8 6.445,9 3.755,10 3.755,11 5.755,12 5.021,13 3.021,14 3.021,15 4.034,16 4.034,17 3.041,18 3.041,19 5.041,20 3.041,24 25.86,25 4.072,26 4.072,27 4.072,28 28.162,29 34.97,30 32.703,31 1.341,32 23.645,33 21.314,34 7.072,35 30.412,36 2.084,37 4.39,38 4.39,39 5.75,40 1.943,41 1.965,42 6.247,43 19.175,44 5.326,45 11.921,46 17.208,47 9.882,48 16.146,49 26.593,50 10.771,51 2.066,52 6.406,53 15.053,54 17.343,55 14.016,56 26.274,57 4.148,58 12.908,60 16.274,61 7,62 51.732,63 6.501,64 5.041,65 18.544,66 28.789,67 0.989,68 5.677,69 23.597,70 18.081,71 9.674,72 10.465,73 5.64,74 9.051,75 18.601,76 7.938,77 8.632,78 87.723,79 4.909,80 4.524,81 5.398,82 17.881,83 5.42,84 0.881,85 16.773,86 15.177,88 13.02,89 25.128,90 2.995,91 44.261,92 4.339,93 4.409,94 4,95 0.456,96 26.956,97 16.936,98 14.132,99 2.342,100 4.374,101 7.811,102 16.095,103 12.571,104 10.872,105 1.084,106 14.323,107 7.535,108 11.916,109 9.735,110 9.735,111 10.602,112 23.305,113 21.489,114 9.969,115 17.865,116 12.023,117 6.463,118 8.721,119 19.68,120 12.478,121 2.359,122 2.371,123 7.771,124 3.306,125 12.217,126 4.507,127 3.032,128 77.301,129 14.799,130 11.068,131 4.388,132 2.055,133 4.394,134 4.253,135 5.475,136 10.847,137 7.068,138 10.284,139 8.008,140 1.492,141 18,142 5.659,143 5.261,144 4.044,145 4.331,146 1.133,147 25.987,148 138.455,149 3.938,150 5.687,152 6.154,153 4.509,154 4.382,155 20,156 1.222,157 13.01,158 4.488,159 4.382,160 1.433,161 4.394,162 10.233,163 6.538,164 2.894,165 4.927,166 4.454,167 5.252,168 4.222,169 2.143,170 8.374,172 53.009,173 5.406,174 9.387,175 12.679,176 7.146,177 5.426,178 3.936,180 1,181 3,182 11,183 1.3,184 5.341,185 23,186 0.719,187 2.067,188 400.217,189 400.217,190 400.217,192 13.077,193 6.751,194 1,195 4.644,196 6.009,197 3.942,198 6,199 400.217,200 9.161,201 10.575,202 4.673,203 2.947,204 6.929,205 0.212,206 7.288,207 2.972,208 2.972,210 80,211 4.369,212 4.011,213 400.217,214 9.538}
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{0 CHEMBL1719035,3 11.714,4 11.714,5 11.714,6 18.764,7 7.12,8 7.12,9 3.921,10 3.921,11 5.921,12 4.577,13 2.577,14 2.577,15 4.038,16 4.038,17 3.322,18 3.322,19 5.322,20 3.322,24 27.096,25 3.875,26 3.875,27 3.875,28 29.555,29 36.919,30 34.463,31 1.133,32 24.665,33 22.202,34 6.875,35 32.004,36 2.033,37 4.334,38 4.334,39 7.186,40 1.876,41 1.904,42 6.922,43 19.818,44 5.283,45 10.487,46 14.97,47 8.732,48 14.102,49 7.012,50 9.38,51 2.008,52 5.957,53 13.111,54 18.127,55 12.283,56 9.324,57 3.524,58 11.249,60 16.955,62 31.821,63 8.145,64 5.124,65 9.758,66 29.547,67 0.268,68 4.583,69 8.367,70 7.161,71 11.873,72 2.973,73 4.756,74 11.163,75 9.291,76 7.042,77 7.494,78 46.875,79 3.361,80 3.902,81 4.592,82 18.046,83 4.466,84 0.218,85 17.333,86 15.776,88 13.445,89 25.677,90 1.998,91 25.394,92 3.898,93 5.641,95 0.453,96 27.609,97 8.623,98 14.622,99 0.984,100 3.742,101 2.894,102 16.176,103 12.506,104 11.139,105 0.983,106 14.327,107 7.636,108 11.586,109 8.375,110 8.375,111 10.572,112 23.753,113 21.838,114 10.095,115 5.659,116 12.327,117 5.569,118 8.858,119 19.935,120 12.151,121 0.777,122 0.852,123 9.639,124 3.952,125 12.499,126 3.968,127 4.098,128 43.724,129 15.076,130 10.742,131 3.78,132 1.996,133 3.867,134 3.827,135 4.733,136 10.72,137 8.74,138 10.001,139 7.969,140 0.886,141 12,142 4.512,143 4.584,144 5.316,145 3.912,146 0.612,147 6.203,148 36.145,149 3.864,150 4.459,152 5.469,153 3.833,154 3.951,155 16,156 0.899,157 5.621,158 3.742,159 3.912,160 1.263,161 3.97,162 9.913,163 6.581,164 1.059,165 4.354,166 4.111,167 6.697,168 3.111,169 1.014,170 10.303,172 34.394,173 4.374,174 9.067,175 7.46,176 6.866,177 4.325,178 3.751,181 2,182 3,183 1.059,184 5.364,185 8,187 1.804,188 129.482,189 129.482,190 129.482,192 7.8,193 6.532,195 4.124,196 5.753,197 3.873,199 129.482,200 8.982,201 6.119,202 2.816,203 2.514,204 4.869,205 0.358,206 6.597,207 2.842,208 2.842,210 43,211 3.97,212 3.936,213 117.711,214 4.495}
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{0 CHEMBL201038,1 69.809,2 1,3 15.593,4 15.593,5 15.593,6 24.256,7 8.054,8 8.054,9 3.886,10 3.886,11 5.886,12 5.694,13 3.694,14 3.694,15 4.703,16 4.703,17 3.707,18 3.707,19 5.707,20 3.707,21 26.573,22 1,23 1.946,24 30.22,25 4.145,26 4.145,27 4.145,28 32.967,29 41.203,30 38.457,31 1.648,32 27.484,33 24.734,34 7.145,35 35.711,36 2.212,37 4.789,38 4.789,39 0.125,40 2.055,41 2.084,42 7.687,43 22.022,44 5.789,45 13.171,46 19.618,47 10.667,48 18.32,49 24.241,50 11.874,51 2.192,52 6.421,53 17.021,54 19.678,55 15.732,56 23.48,57 4.242,58 14.437,59 1,60 18.379,61 9,62 39.474,63 0.102,64 5.745,65 16.205,66 31.343,67 0.915,68 5.507,69 20.016,70 14.552,71 0.035,72 7.6,73 5.431,74 0.043,75 16.73,76 8.283,77 9.342,78 55.105,79 4.384,80 4.402,81 5.17,82 19.019,83 5.22,84 0.825,85 19.258,86 17.078,87 9,88 14.493,89 27.205,90 5.094,91 34.309,92 4.051,93 0.188,94 8,95 0.414,96 29.271,97 13.818,98 15.789,99 1.98,100 4.151,101 5.41,102 17.007,103 13.062,104 11.932,105 1.178,106 15.019,107 8.289,108 12.467,109 9.752,110 9.752,111 11.449,112 25.144,113 23.091,114 10.728,115 13.884,116 13.229,117 6.831,118 9.401,119 21.048,120 12.952,121 1.698,122 1.992,123 0.066,124 1.2,125 13.796,126 4.316,127 0.268,128 47.916,129 16.628,130 11.509,131 4.224,132 2.179,133 4.174,134 3.943,135 5.256,136 11.147,137 0.082,138 10.531,139 8.345,140 0.617,141 27,142 5.185,143 5.015,144 0.239,145 5.242,146 1.006,147 20.875,148 113.31,149 4.044,150 5.425,151 1,152 6.128,153 4.356,154 5.412,155 25,156 1.1,157 9.626,158 4.145,159 5.011,160 1.51,161 5.509,162 10.554,163 6.889,164 -0.444,165 4.622,166 4.828,167 0.156,168 3.389,169 1.745,170 0.054,171 7.101,172 41.093,173 4.858,174 9.598,175 9.095,176 6.984,177 5.125,178 3.782,179 3.714,180 2,181 5,182 14,183 1.222,184 5.543,185 20,186 0.577,187 1.742,188 306.049,189 306.049,190 306.049,191 3,192 9.281,193 6.817,194 2,195 4.36,196 5.849,197 4.049,198 6,199 306.049,200 9.287,201 7.401,202 5.813,203 2.739,204 6.836,205 0.212,206 7.744,207 2.837,208 2.837,209 0.4,210 53,211 5.438,212 4.12,213 306.049,214 5.959}
{0 CHEMBL201219,1 480.775,2 2,3 15.593,4 15.593,5 15.593,6 24.257,7 8.054,8 8.054,9 3.886,10 3.886,11 5.886,12 5.694,13 3.694,14 3.694,15 4.703,16 4.703,17 3.707,18 3.707,19 5.707,20 3.707,24 30.914,25 4.151,26 4.151,27 4.151,28 33.661,29 41.897,30 39.151,31 1.654,32 28.178,33 25.428,34 7.151,35 36.404,36 2.219,37 4.79,38 4.79,39 0.237,40 2.06,41 2.091,42 7.687,43 22.717,44 5.79,45 13.879,46 20.314,47 11.392,48 19.017,49 55.572,50 12.581,51 2.2,52 8.054,53 17.718,54 20.374,55 16.432,56 53.201,57 4.944,58 15.137,59 2,60 19.075,61 20,62 91.758,63 2.112,64 5.745,65 36.476,66 32.038,67 1.208,68 6.337,69 45.519,70 35.127,71 0.068,72 16.834,73 6.263,74 2.296,75 38.038,76 9.041,77 10.058,78 126.038,79 5.522,80 5.233,81 6.003,82 19.729,83 6.06,84 1.207,85 19.954,86 17.775,87 20,88 15.193,89 27.902,90 10.955,91 79.412,92 4.875,93 0.346,94 18,95 0.418,96 29.967,97 31.189,98 16.489,99 4.611,100 5.046,101 11.832,102 17.724,103 13.801,104 12.637,105 1.474,106 15.746,107 8.995,108 13.236,109 15.593,110 15.593,111 12.178,112 25.843,113 23.792,114 11.451,115 31.23,116 13.936,117 7.553,118 10.112,119 21.753,120 13.724,121 4.438,122 4.734,123 2.201,124 2.117,125 14.497,126 5.142,127 0.479,128 109.803,129 17.33,130 12.282,131 5.07,132 2.188,133 5.004,134 4.772,135 6.095,136 11.9,137 0.158,138 11.336,139 9.099,140 2.305,141 56,142 6.212,143 5.852,144 1.969,145 6.118,146 1.522,147 51.756,148 191.543,149 4.083,150 6.29,151 2,152 6.934,153 5.224,154 6.319,155 52,156 1.522,157 21.536,158 5.135,159 5.844,160 1.49,161 6.503,162 11.334,163 7.601,164 -0.045,165 5.45,166 5.624,167 2.032,168 6.667,169 4.083,170 0.104,172 97.441,173 5.916,174 10.384,175 20.992,176 7.84,177 6.004,178 3.943,180 4,181 10,182 30,183 1.654,184 6.422,185 40,186 1.043,187 3.947,188 682.724,189 682.724,190 682.724,191 6,192 21.403,193 7.605,194 4,195 5.195,196 6.663,197 4.088,198 12,199 682.724,200 10.059,201 17.134,202 12.903,203 3.694,204 16.26,205 0.183,206 11.175,207 3.707,208 3.707,209 0.381,210 121,211 6.578,212 4.163,213 682.724,214 7.886}
{0 CHEMBL201220,1 617.625,2 2,3 15.593,4 15.593,5 15.593,6 24.257,7 8.054,8 8.054,9 3.886,10 3.886,11 5.886,12 5.694,13 3.694,14 3.694,15 4.703,16 4.703,17 3.707,18 3.707,19 5.707,20 3.707,24 30.914,25 4.15,26 4.15,27 4.15,28 33.661,29 41.897,30 39.151,31 1.654,32 28.178,33 25.428,34 7.15,35 36.404,36 2.219,37 4.79,38 4.79,39 6.442,40 2.06,41 2.09,42 7.945,43 22.717,44 5.79,45 13.88,46 20.314,47 11.396,48 19.017,49 62.187,50 12.581,51 2.2,52 8.054,53 17.718,54 20.374,55 16.432,56 60.409,57 4.944,58 15.137,59 2,60 19.075,61 28,62 104.344,63 7.194,64 5.745,65 41.11,66 32.038,67 1.41,68 6.469,69 53.202,70 39.714,71 10.367,72 20.461,73 6.407,74 9.744,75 42.249,76 9.055,77 10.058,78 148.944,79 5.802,80 5.336,81 6.137,82 19.73,83 6.186,84 1.227,85 19.954,86 17.775,87 20,88 15.193,89 27.902,90 11.78,91 92.774,92 5.002,93 5.099,94 26,95 0.425,96 29.967,97 36.115,98 16.489,99 5.147,100 5.142,101 14.234,102 17.726,103 13.806,104 12.637,105 1.596,106 15.749,107 8.995,108 13.245,109 15.593,110 15.593,111 12.181,112 25.843,113 23.793,114 11.455,115 37.523,116 13.937,117 7.553,118 10.112,119 21.754,120 13.736,121 4.973,122 5.249,123 8.464,124 3.306,125 14.497,126 5.256,127 3.716,128 128.988,129 17.33,130 12.295,131 5.162,132 2.187,133 5.103,134 4.884,135 6.266,136 11.91,137 7.761,138 11.354,139 9.112,140 2.395,141 56,142 6.369,143 6.009,144 4.727,145 6.127,146 1.522,147 58.839,148 191.543,149 4.086,150 6.434,151 2,152 6.968,153 5.33,154 6.326,155 52,156 1.522,157 25.672,158 5.256,159 5.861,160 1.47,161 6.504,162 11.352,163 7.601,164 -0.08,165 5.606,166 5.642,167 5.942,168 6.667,169 4.644,170 9.067,172 108.863,173 6.069,174 10.407,175 24.224,176 7.886,177 6.143,178 3.942,180 4,181 10,182 38,183 1.654,184 6.422,185 45,186 1.204,187 3.867,188 847.519,189 847.519,190 847.519,191 6,192 24.7,193 7.629,194 4,195 5.259,196 6.708,197 4.09,198 12,199 847.519,200 10.077,201 19.847,202 14.109,203 3.694,204 17.964,205 0.172,206 11.217,207 3.707,208 3.707,209 0.381,210 141,211 6.567,212 4.167,213 847.519,214 8.244}
{0 CHEMBL201226,3 15.228,4 15.228,5 15.228,6 23.522,7 7.992,8 7.992,9 4.169,10 4.169,11 6.169,12 5.539,13 3.539,14 3.539,15 4.627,16 4.627,17 3.66,18 3.66,19 5.66,20 3.66,24 30.442,25 3.89,26 3.89,27 3.89,28 33.151,29 41.273,30 38.565,31 1.45,32 27.742,33 25.029,34 6.89,35 35.857,36 2.092,37 4.718,38 4.718,39 5.997,40 1.934,41 1.963,42 7.794,43 22.344,44 5.718,45 13.248,46 19.48,47 10.796,48 18.23,49 25.773,50 11.984,51 2.098,52 7.863,53 16.977,54 20.016,55 15.732,56 22.561,57 4.326,58 14.478,60 18.731,61 4,62 46.18,63 6.806,64 5.706,65 16.009,66 31.773,67 0.828,68 5.661,69 19.245,70 16.996,71 10.109,72 7.683,73 5.516,74 9.466,75 17.996,76 8.427,77 9.491,78 66.521,79 4.414,80 4.471,81 5.296,82 19.432,83 5.402,84 0.825,85 19.613,86 17.443,87 4,88 14.874,89 27.644,90 3.932,91 39.096,92 4.155,93 4.592,94 3,95 0.43,96 29.708,97 13.536,98 16.163,99 2.199,100 4.352,101 5.654,102 17.399,103 13.391,104 12.31,105 1.024,106 15.383,107 8.618,108 12.52,109 14.6,110 14.6,111 11.768,112 25.584,113 23.527,114 11.085,115 13.345,116 13.608,117 6.976,118 9.747,119 21.476,120 13.02,121 2.102,122 2.317,123 8.131,124 3.439,125 14.18,126 4.387,127 3.16,128 58.774,129 16.985,130 11.585,131 4.365,132 2.098,133 4.31,134 4.11,135 5.351,136 11.437,137 7.38,138 10.627,139 8.645,140 1.088,141 29,142 5.42,143 5.142,144 4.26,145 5.094,146 0.999,147 24.601,148 95.772,149 3.939,150 5.6,152 6.266,153 4.489,154 5.242,155 27,156 1.075,157 9.523,158 4.38,159 4.89,160 1.467,161 5.333,162 10.655,163 7.163,164 0.177,165 4.785,166 4.82,167 5.506,168 5.333,169 1.965,170 8.748,171 7.034,172 52.578,173 5.131,174 9.722,175 10.513,176 7.188,177 5.325,178 3.851,179 2.398,181 5,182 11,183 1.307,184 5.998,185 7,186 0.504,187 1.687,188 317.82,189 317.82,190 317.82,192 10.698,193 7.036,194 2,195 4.541,196 6.066,197 3.935,199 317.82,200 9.54,201 8.558,202 5.436,203 3.448,204 7.199,205 0.24,206 8.128,207 3.585,208 3.585,210 63,211 5.398,212 4.052,213 294.278,214 5.276}
{0 CHEMBL201271,1 605.62,2 2,3 15.593,4 15.593,5 15.593,6 24.257,7 8.054,8 8.054,9 3.888,10 3.888,11 5.888,12 5.694,13 3.694,14 3.694,15 4.703,16 4.703,17 3.707,18 3.707,19 5.707,20 3.707,21 91.527,22 1,23 1.946,24 30.914,25 4.15,26 4.15,27 4.15,28 33.661,29 41.897,30 39.151,31 1.653,32 28.178,33 25.429,34 7.15,35 36.404,36 2.217,37 4.79,38 4.79,39 8.685,40 2.058,41 2.088,42 7.945,43 22.717,44 5.79,45 13.874,46 20.312,47 11.386,48 19.014,49 59.897,50 12.577,51 2.198,52 8.054,53 17.716,54 20.376,55 16.429,56 57.496,57 4.968,58 15.134,59 2,60 19.077,61 27,62 100.552,63 9.656,64 5.768,65 40,66 32.038,67 1.224,68 6.424,69 50.555,70 39.034,71 14.085,72 19.568,73 6.347,74 13.205,75 41.711,76 9.037,77 10.054,78 142.951,79 5.735,80 5.298,81 6.09,82 19.732,83 6.151,84 1.218,85 19.955,86 17.778,87 19,88 15.197,89 27.903,90 11.471,91 89.401,92 4.959,93 6.851,94 25,95 0.424,96 29.968,97 35.196,98 16.492,99 4.868,100 5.111,101 14.093,102 17.728,103 13.808,104 12.643,105 1.568,106 15.751,107 9.009,108 13.246,109 15.593,110 15.593,111 12.181,112 25.844,113 23.794,114 11.459,115 35.646,116 13.941,117 7.555,118 10.123,119 21.755,120 13.736,121 4.568,122 4.99,123 11.427,124 4.174,125 14.5,126 5.211,127 4.96,128 124.555,129 17.331,130 12.294,131 5.135,132 2.185,133 5.07,134 4.849,135 6.214,136 11.912,137 10.495,138 11.332,139 9.113,140 2.326,141 55,142 6.249,143 5.966,144 6.178,145 6.114,146 1.408,147 55.474,148 213.543,149 4.082,150 6.381,151 2,152 6.943,153 5.29,154 6.312,155 52,156 1.522,157 24.995,158 5.186,159 5.849,160 1.471,161 6.477,162 11.35,163 7.621,164 -0.891,165 5.573,166 5.635,167 7.901,168 6.833,169 4.362,170 12.293,171 7.101,172 106.43,173 5.971,174 10.404,175 23.552,176 7.858,177 6.103,178 3.945,179 3.714,180 4,181 10,182 37,183 1.649,184 6.422,185 45,186 1.103,187 3.836,188 823.977,189 823.977,190 823.977,191 6,192 23.994,193 7.625,194 4,195 5.236,196 6.701,197 4.086,198 12,199 823.977,200 10.076,201 19.254,202 13.636,203 3.694,204 16.94,205 0.175,206 11.123,207 3.707,208 3.707,209 0.39,210 136,211 6.529,212 4.164,213 823.977,214 7.018}
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{0 CHEMBL202200,3 14.309,4 14.309,5 14.309,6 22.226,7 7.81,8 7.81,9 3.765,10 3.765,11 5.765,12 5.57,13 3.57,14 3.57,15 4.578,16 4.578,17 3.582,18 3.582,19 5.582,20 3.582,24 29.274,25 3.937,26 3.937,27 3.937,28 31.935,29 39.914,30 37.254,31 1.529,32 26.623,33 23.957,34 6.937,35 34.593,36 2.146,37 4.65,38 4.65,39 0.125,40 1.969,41 2.001,42 7.719,43 21.328,44 5.65,45 12.791,46 19.099,47 10.325,48 17.831,49 25.407,50 11.517,51 2.127,52 6.13,53 16.562,54 19.158,55 15.302,56 24.036,57 3.943,58 14.033,60 17.891,61 7,62 40.827,63 0.102,64 5.615,65 16.33,66 30.864,67 0.91,68 5.641,69 20.309,70 16.548,71 0.035,72 8.891,73 5.521,74 0.043,75 17.235,76 7.964,77 9.016,78 65.766,79 4.686,80 4.39,81 5.237,82 18.671,83 5.332,84 0.844,85 18.643,86 16.622,87 2,88 14.095,89 26.777,90 3.245,91 34.944,92 4.026,93 0.188,94 6,95 0.459,96 28.819,97 13.804,98 15.363,99 1.982,100 4.186,101 6.192,102 16.674,103 12.75,104 11.583,105 1.304,106 14.697,107 7.923,108 11.869,109 8.977,110 8.977,111 11.035,112 24.739,113 22.707,114 10.398,115 14.925,116 12.857,117 6.52,118 9.088,119 20.684,120 12.386,121 1.942,122 2.065,123 0.066,124 1.2,125 13.324,126 4.277,127 0.268,128 56.45,129 16.09,130 10.96,131 4.186,132 2.113,133 4.11,134 3.893,135 5.309,136 10.843,137 0.082,138 10.082,139 8.044,140 0.428,141 12,142 5.56,143 5.047,144 0.239,145 4.317,146 1.025,147 24.163,148 125.081,149 3.951,150 5.598,151 1,152 5.843,153 4.408,154 4.263,155 14,156 1.211,157 10.147,158 4.346,159 4.304,160 1.43,161 4.174,162 10.055,163 6.594,164 -0.455,165 4.695,166 4.263,167 0.156,168 3.333,169 1.714,170 0.054,172 43.596,173 5.238,174 9.149,175 9.09,176 6.727,177 5.296,178 3.74,180 1,181 2,182 15,183 1.309,184 4.986,185 15,186 0.507,187 1.716,188 400.217,189 400.217,190 400.217,192 9.499,193 6.506,194 1,195 4.163,196 5.609,197 3.955,198 7,199 400.217,200 8.995,201 7.709,202 4.242,203 2.599,204 5.948,205 0.197,206 6.51,207 2.748,208 2.748,210 59,211 4.025,212 4.035,213 400.217,214 6.549}
{0 CHEMBL2022017,3 16.364,4 16.364,5 16.364,6 25.652,7 8.261,8 8.261,9 4.178,10 4.178,11 6.178,12 5.855,13 3.855,14 3.855,15 4.854,16 4.854,17 3.853,18 3.853,19 5.853,20 3.853,24 30.834,25 3.93,26 3.93,27 3.93,28 33.615,29 41.964,30 39.179,31 1.628,32 28.068,33 25.287,34 6.618,35 36.394,36 2.177,37 4.877,38 4.877,39 9.273,40 2.015,41 2.041,42 7.89,43 22.552,44 5.877,45 13.723,46 20.329,47 11.155,48 18.997,49 27.109,50 12.408,51 2.161,52 7.508,53 17.668,54 20.331,55 16.346,56 27.134,57 4.674,58 15.024,60 19.001,61 6,62 55.275,63 10.253,64 5.944,65 20.531,66 31.912,67 0.787,68 5.786,69 20.877,70 19.562,71 14.668,72 8.126,73 5.684,74 13.792,75 20.775,76 8.703,77 9.832,78 70.903,79 4.56,80 4.631,81 5.483,82 19.508,83 5.586,84 0.692,85 19.759,86 17.674,87 6,88 15.035,89 27.749,90 4.786,91 40.275,92 4.205,93 7.446,94 4,95 0.433,96 29.828,97 16.485,98 16.355,99 2.426,100 4.533,101 6.763,102 17.479,103 13.493,104 12.425,105 1.296,106 15.472,107 8.692,108 12.762,109 13.175,110 13.175,111 11.878,112 25.676,113 23.609,114 11.18,115 14.702,116 13.738,117 7.29,118 9.854,119 21.553,120 13.241,121 2.312,122 2.488,123 12.017,124 4.309,125 14.248,126 4.499,127 5.562,128 63.872,129 17.112,130 11.787,131 4.557,132 2.154,133 4.436,134 4.176,135 5.373,136 11.553,137 11.078,138 10.786,139 8.738,140 1.307,141 23,142 5.617,143 5.213,144 6.801,145 5.366,146 0.899,147 26.669,148 190.171,149 4,150 5.75,151 2,152 6.485,153 4.606,154 5.529,155 28,156 1.073,157 11.702,158 4.508,159 5.198,160 1.491,161 5.642,162 10.839,163 7.314,164 -0.751,165 4.861,166 4.97,167 8.509,168 5.556,169 1.96,170 12.875,171 6.26,172 64.612,173 5.397,174 9.87,175 10.736,176 7.277,177 5.521,178 3.783,179 2.398,180 3,181 4,182 15,183 1.269,184 5.947,185 17,186 0.587,187 3.712,188 353.133,189 353.133,190 353.133,191 2,192 11.106,193 7.168,194 3,195 4.68,196 6.18,197 4,198 4,199 353.133,200 9.667,201 8.811,202 6.558,203 3.273,204 7.968,205 0.229,206 8.173,207 3.291,208 3.291,209 0.211,210 66,211 5.677,212 4.093,213 329.591,214 5}
{0 CHEMBL2022018,3 16.364,4 16.364,5 16.364,6 25.652,7 8.261,8 8.261,9 4.178,10 4.178,11 6.178,12 5.855,13 3.855,14 3.855,15 4.854,16 4.854,17 3.853,18 3.853,19 5.853,20 3.853,24 30.834,25 3.93,26 3.93,27 3.93,28 33.615,29 41.964,30 39.179,31 1.628,32 28.068,33 25.287,34 6.618,35 36.394,36 2.177,37 4.877,38 4.877,39 9.273,40 2.015,41 2.041,42 7.89,43 22.552,44 5.877,45 13.723,46 20.329,47 11.155,48 18.997,49 27.109,50 12.408,51 2.161,52 7.508,53 17.668,54 20.331,55 16.346,56 27.134,57 4.674,58 15.024,60 19.001,61 6,62 55.275,63 10.253,64 5.944,65 20.531,66 31.912,67 0.787,68 5.786,69 20.877,70 19.562,71 14.668,72 8.126,73 5.684,74 13.792,75 20.775,76 8.703,77 9.832,78 70.903,79 4.56,80 4.631,81 5.483,82 19.508,83 5.586,84 0.692,85 19.759,86 17.674,87 6,88 15.035,89 27.749,90 4.786,91 40.275,92 4.205,93 7.446,94 4,95 0.433,96 29.828,97 16.485,98 16.355,99 2.426,100 4.533,101 6.763,102 17.479,103 13.493,104 12.425,105 1.296,106 15.472,107 8.692,108 12.762,109 13.175,110 13.175,111 11.878,112 25.676,113 23.609,114 11.18,115 14.702,116 13.738,117 7.29,118 9.854,119 21.553,120 13.241,121 2.312,122 2.488,123 12.017,124 4.309,125 14.248,126 4.499,127 5.562,128 63.872,129 17.112,130 11.787,131 4.557,132 2.154,133 4.436,134 4.176,135 5.373,136 11.553,137 11.078,138 10.786,139 8.738,140 1.307,141 23,142 5.617,143 5.213,144 6.801,145 5.366,146 0.899,147 26.669,148 190.171,149 4,150 5.75,151 2,152 6.485,153 4.606,154 5.529,155 28,156 1.073,157 11.702,158 4.508,159 5.198,160 1.491,161 5.642,162 10.839,163 7.314,164 -0.751,165 4.861,166 4.97,167 8.509,168 5.556,169 1.96,170 12.875,171 6.26,172 64.612,173 5.397,174 9.87,175 10.736,176 7.277,177 5.521,178 3.783,179 2.398,180 3,181 4,182 15,183 1.269,184 5.947,185 17,186 0.587,187 3.712,188 353.133,189 353.133,190 353.133,191 2,192 11.106,193 7.168,194 3,195 4.68,196 6.18,197 4,198 4,199 353.133,200 9.667,201 8.811,202 6.558,203 3.273,204 7.968,205 0.229,206 8.173,207 3.291,208 3.291,209 0.211,210 66,211 5.677,212 4.093,213 329.591,214 5.585}
{0 CHEMBL2022019,3 16.366,4 16.366,5 16.366,6 25.656,7 8.261,8 8.261,9 4.183,10 4.183,11 6.183,12 5.856,13 3.856,14 3.856,15 4.855,16 4.855,17 3.854,18 3.854,19 5.854,20 3.854,24 30.838,25 3.935,26 3.935,27 3.935,28 33.619,29 41.967,30 39.182,31 1.628,32 28.074,33 25.295,34 6.935,35 36.397,36 2.176,37 4.878,38 4.878,39 9.275,40 2.017,41 2.042,42 8.063,43 22.565,44 5.878,45 13.767,46 20.349,47 11.212,48 19.021,49 27.107,50 12.458,51 2.161,52 7.51,53 17.695,54 20.35,55 16.378,56 27.163,57 4.739,58 15.061,60 19.023,61 6,62 56.506,63 10.265,64 5.945,65 21.025,66 31.928,67 0.791,68 5.805,69 21.28,70 20.224,71 14.675,72 8.239,73 5.703,74 13.802,75 21.314,76 8.767,77 9.892,78 71.903,79 4.585,80 4.661,81 5.512,82 19.554,83 5.613,84 0.723,85 19.776,86 17.699,87 6,88 15.068,89 27.773,90 5.046,91 41.409,92 4.24,93 7.446,94 4,95 0.433,96 29.848,97 17.035,98 16.384,99 2.5,100 4.58,101 6.884,102 17.531,103 13.554,104 12.467,105 1.293,106 15.529,107 8.741,108 12.824,109 13.186,110 13.186,111 11.928,112 25.704,113 23.643,114 11.227,115 15.04,116 13.777,117 7.354,118 9.903,119 21.592,120 13.302,121 2.404,122 2.569,123 12.027,124 4.309,125 14.28,126 4.543,127 5.562,128 64.872,129 17.14,130 11.849,131 4.601,132 2.156,133 4.491,134 4.208,135 5.404,136 11.615,137 11.082,138 10.852,139 8.79,140 1.441,141 24,142 5.628,143 5.251,144 6.829,145 5.455,146 1.024,147 26.876,148 205.809,149 4.004,150 5.768,151 2,152 6.543,153 4.636,154 5.609,155 29,156 1.103,157 12.004,158 4.549,159 5.268,160 1.51,161 5.73,162 10.897,163 7.366,164 -0.758,165 4.871,166 5.056,167 8.526,168 6.222,169 2.031,170 12.88,172 66.254,173 5.425,174 9.927,175 11.057,176 7.327,177 5.546,178 3.778,180 3,181 4,182 15,183 1.268,184 6.29,185 18,186 0.587,187 3.818,188 353.133,189 353.133,190 353.133,191 2,192 11.44,193 7.222,194 3,195 4.724,196 6.225,197 4.003,198 4,199 353.133,200 9.727,201 9.066,202 6.754,203 3.284,204 8.247,205 0.227,206 8.265,207 3.303,208 3.303,209 0.2,210 67,211 5.796,212 4.096,213 353.133,214 5.827}
{0 CHEMBL2022020,3 16.366,4 16.366,5 16.366,6 25.656,7 8.261,8 8.261,9 4.183,10 4.183,11 6.183,12 5.856,13 3.856,14 3.856,15 4.855,16 4.855,17 3.854,18 3.854,19 5.854,20 3.854,24 30.842,25 3.974,26 3.974,27 3.974,28 33.622,29 41.968,30 39.183,31 1.628,32 28.08,33 25.303,34 6.974,35 36.399,36 2.176,37 4.879,38 4.879,39 9.275,40 2.017,41 2.042,42 7.953,43 22.577,44 5.879,45 13.788,46 20.358,47 11.238,48 19.032,49 29.064,50 12.481,51 2.161,52 7.51,53 17.708,54 20.364,55 16.394,56 28.223,57 4.78,58 15.079,60 19.039,61 6,62 58.848,63 10.265,64 5.946,65 21.871,66 31.941,67 0.791,68 5.866,69 21.728,70 21.398,71 14.675,72 8.669,73 5.74,74 13.802,75 22.604,76 8.799,77 9.922,78 76.528,79 4.66,80 4.716,81 5.558,82 19.588,83 5.677,84 0.723,85 19.791,86 17.717,87 6,88 15.093,89 27.791,90 5.196,91 42.604,92 4.27,93 7.446,94 4,95 0.435,96 29.863,97 17.507,98 16.406,99 2.608,100 4.648,101 7.273,102 17.57,103 13.602,104 12.501,105 1.321,106 15.572,107 8.786,108 12.874,109 13.187,110 13.187,111 11.97,112 25.726,113 23.669,114 11.266,115 15.562,116 13.806,117 7.391,118 9.946,119 21.622,120 13.353,121 2.549,122 2.721,123 12.027,124 4.309,125 14.309,126 4.579,127 5.562,128 69.083,129 17.164,130 11.901,131 4.662,132 2.156,133 4.538,134 4.247,135 5.429,136 11.666,137 11.082,138 10.905,139 8.837,140 1.443,141 24,142 5.702,143 5.284,144 6.83,145 5.497,146 1.024,147 28.608,148 216.809,149 4.005,150 5.843,151 2,152 6.58,153 4.703,154 5.659,155 30,156 1.104,157 12.469,158 4.611,159 5.308,160 1.493,161 5.799,162 10.95,163 7.415,164 -0.744,165 4.932,166 5.106,167 8.526,168 6.667,169 2.098,170 12.88,172 70.318,173 5.499,174 9.982,175 11.501,176 7.38,177 5.623,178 3.779,180 3,181 4,182 16,183 1.268,184 6.308,185 17,186 0.587,187 4.209,188 376.675,189 376.675,190 376.675,191 2,192 11.928,193 7.277,194 3,195 4.763,196 6.279,197 4.004,198 4,199 376.675,200 9.781,201 9.451,202 6.987,203 3.286,204 8.561,205 0.226,206 8.427,207 3.306,208 3.306,209 0.2,210 71,211 5.869,212 4.098,213 376.675,214 5}
{0 CHEMBL2022021,3 16.366,4 16.366,5 16.366,6 25.656,7 8.261,8 8.261,9 4.183,10 4.183,11 6.183,12 5.856,13 3.856,14 3.856,15 4.855,16 4.855,17 3.854,18 3.854,19 5.854,20 3.854,24 30.838,25 3.938,26 3.938,27 3.938,28 33.619,29 41.967,30 39.182,31 1.628,32 28.075,33 25.296,34 6.938,35 36.397,36 2.176,37 4.878,38 4.878,39 9.275,40 2.017,41 2.042,42 7.851,43 22.567,44 5.878,45 13.774,46 20.351,47 11.224,48 19.023,49 28.945,50 12.467,51 2.161,52 7.51,53 17.698,54 20.354,55 16.383,56 28.325,57 4.78,58 15.067,60 19.028,61 6,62 58.665,63 10.265,64 5.946,65 21.864,66 31.93,67 0.791,68 5.861,69 21.736,70 21.002,71 14.675,72 8.669,73 5.741,74 13.802,75 22.381,76 8.788,77 9.907,78 76.528,79 4.66,80 4.709,81 5.554,82 19.565,83 5.667,84 0.723,85 19.778,86 17.704,87 6,88 15.077,89 27.776,90 5.171,91 42.631,92 4.27,93 7.446,94 4,95 0.435,96 29.85,97 17.515,98 16.391,99 2.602,100 4.631,101 7.273,102 17.547,103 13.581,104 12.482,105 1.313,106 15.55,107 8.766,108 12.859,109 13.187,110 13.187,111 11.948,112 25.708,113 23.649,114 11.247,115 15.562,116 13.788,117 7.381,118 9.927,119 21.601,120 13.338,121 2.497,122 2.69,123 12.027,124 4.309,125 14.289,126 4.578,127 5.562,128 69.083,129 17.146,130 11.886,131 4.651,132 2.156,133 4.534,134 4.247,135 5.429,136 11.649,137 11.082,138 10.892,139 8.823,140 1.444,141 24,142 5.683,143 5.284,144 6.83,145 5.493,146 1.024,147 28.157,148 216.809,149 4.005,150 5.814,151 2,152 6.575,153 4.689,154 5.649,155 30,156 1.104,157 12.469,158 4.597,159 5.313,160 1.493,161 5.778,162 10.937,163 7.403,164 -0.744,165 4.932,166 5.1,167 8.526,168 6.444,169 2.098,170 12.88,172 69.959,173 5.484,174 9.969,175 11.492,176 7.376,177 5.595,178 3.779,180 3,181 4,182 16,183 1.268,184 6.293,185 17,186 0.587,187 4.049,188 376.675,189 376.675,190 376.675,191 2,192 11.922,193 7.266,194 3,195 4.763,196 6.275,197 4.004,198 4,199 376.675,200 9.768,201 9.443,202 6.928,203 3.284,204 8.543,205 0.226,206 8.427,207 3.303,208 3.303,209 0.2,210 71,211 5.869,212 4.097,213 376.675,214 5.51}
{0 CHEMBL2022022,3 16.366,4 16.366,5 16.366,6 25.656,7 8.261,8 8.261,9 4.183,10 4.183,11 6.183,12 5.856,13 3.856,14 3.856,15 4.855,16 4.855,17 3.854,18 3.854,19 5.854,20 3.854,24 30.838,25 3.936,26 3.936,27 3.936,28 33.619,29 41.967,30 39.182,31 1.628,32 28.074,33 25.296,34 6.936,35 36.397,36 2.176,37 4.878,38 4.878,39 9.275,40 2.017,41 2.042,42 7.812,43 22.566,44 5.878,45 13.773,46 20.35,47 11.223,48 19.022,49 29.047,50 12.465,51 2.161,52 7.51,53 17.697,54 20.352,55 16.381,56 28.333,57 4.78,58 15.065,60 19.026,61 6,62 58.692,63 10.265,64 5.946,65 21.872,66 31.929,67 0.791,68 5.862,69 21.736,70 20.779,71 14.675,72 8.669,73 5.741,74 13.802,75 22.374,76 8.787,77 9.906,78 76.528,79 4.66,80 4.709,81 5.554,82 19.564,83 5.664,84 0.723,85 19.777,86 17.702,87 6,88 15.075,89 27.775,90 5.142,91 42.631,92 4.27,93 7.446,94 4,95 0.435,96 29.849,97 17.515,98 16.389,99 2.602,100 4.62,101 7.273,102 17.546,103 13.58,104 12.48,105 1.308,106 15.549,107 8.766,108 12.854,109 13.186,110 13.186,111 11.945,112 25.707,113 23.648,114 11.246,115 15.562,116 13.786,117 7.381,118 9.926,119 21.6,120 13.334,121 2.465,122 2.684,123 12.027,124 4.309,125 14.287,126 4.578,127 5.562,128 69.083,129 17.144,130 11.882,131 4.648,132 2.156,133 4.534,134 4.247,135 5.429,136 11.648,137 11.082,138 10.89,139 8.822,140 1.444,141 24,142 5.649,143 5.284,144 6.83,145 5.497,146 1.024,147 28.038,148 216.809,149 4.005,150 5.809,151 2,152 6.575,153 4.683,154 5.638,155 30,156 1.104,157 12.469,158 4.581,159 5.318,160 1.493,161 5.775,162 10.933,163 7.403,164 -0.744,165 4.932,166 5.094,167 8.526,168 6.667,169 2.098,170 12.88,172 69.777,173 5.452,174 9.966,175 11.492,176 7.376,177 5.585,178 3.78,180 3,181 4,182 16,183 1.268,184 6.29,185 17,186 0.587,187 4.049,188 376.675,189 376.675,190 376.675,191 2,192 11.922,193 7.265,194 3,195 4.763,196 6.275,197 4.004,198 4,199 376.675,200 9.768,201 9.441,202 6.907,203 3.284,204 8.563,205 0.226,206 8.427,207 3.303,208 3.303,209 0.2,210 71,211 5.861,212 4.097,213 376.675,214 5}
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{0 CHEMBL2163913,3 10.813,4 10.813,5 10.813,6 18.149,7 6.719,8 6.719,9 3.942,10 3.942,11 5.942,12 5.079,13 3.079,14 3.079,15 4.133,16 4.133,17 3.16,18 3.16,19 5.16,20 3.16,24 27.174,25 4.474,26 4.474,27 4.474,28 29.553,29 36.623,30 34.267,31 1.254,32 24.861,33 22.459,34 7.474,35 31.895,36 2.041,37 4.53,38 4.53,39 7.13,40 1.922,41 1.945,42 6.403,43 20.211,44 5.519,45 12.496,46 17.912,47 10.391,48 16.824,49 25.451,50 11.352,51 2.037,52 6.705,53 15.718,54 18.275,55 14.647,56 23.978,57 4.559,58 13.532,60 17.159,61 8,62 59.022,63 7.937,64 5.188,65 18.243,66 29.736,67 1.047,68 5.727,69 23.394,70 20.376,71 11.277,72 9.358,73 5.699,74 10.624,75 18.902,76 8.369,77 9.168,78 94.624,79 4.755,80 4.661,81 5.491,82 18.581,83 5.515,84 0.987,85 17.747,86 16.029,87 3,88 13.792,89 25.996,90 4.012,91 48.66,92 4.483,93 5.713,94 4,95 0.442,96 27.864,97 17.613,98 14.93,99 2.653,100 4.626,101 7.319,102 16.749,103 13.132,104 11.562,105 1.081,106 14.931,107 8.136,108 12.529,109 10.764,110 10.764,111 11.244,112 24.132,113 22.275,114 10.572,115 16.929,116 12.728,117 6.948,118 9.331,119 20.424,120 13.062,121 2.903,122 2.747,123 9.274,124 3.517,125 13.013,126 4.648,127 4.249,128 84.709,129 15.643,130 11.644,131 4.598,132 2.036,133 4.577,134 4.438,135 5.58,136 11.358,137 8.523,138 10.714,139 8.501,140 1.791,141 28,142 5.824,143 5.383,144 5.354,145 5.081,146 1.176,147 27.367,148 237.432,149 4.056,150 5.806,152 6.504,153 4.686,154 5.22,155 32,156 1.212,157 12.729,158 4.729,159 4.997,160 1.468,161 5.293,162 10.762,163 7.066,164 4.378,165 5.045,166 4.97,167 6.623,168 6.444,169 2.502,170 9.903,171 7.413,172 58.919,173 5.607,174 9.879,175 14.81,176 7.483,177 5.589,178 3.964,179 3.045,181 5,182 9,183 1.225,184 6.071,185 15,186 0.778,187 3.032,188 341.362,189 341.362,190 341.362,192 15.116,193 7.191,195 4.931,196 6.365,197 4.051,198 8,199 341.362,200 9.621,201 12.195,202 6.179,203 3.031,204 8.792,205 0.244,206 8.315,207 3.124,208 3.124,209 0.077,210 88,211 5.398,212 4.136,213 329.591,214 8.261}
{0 CHEMBL2163914,3 10.803,4 10.803,5 10.803,6 18.139,7 6.717,8 6.717,9 3.942,10 3.942,11 5.942,12 5.074,13 3.074,14 3.074,15 4.126,16 4.126,17 3.155,18 3.155,19 5.155,20 3.155,24 27.029,25 4.474,26 4.474,27 4.474,28 29.396,29 36.427,30 34.084,31 1.254,32 24.731,33 22.341,34 7.474,35 31.724,36 2.044,37 4.53,38 4.53,39 7.13,40 1.921,41 1.945,42 6.399,43 20.109,44 5.519,45 12.492,46 17.892,47 10.394,48 16.806,49 27.514,50 11.35,51 2.042,52 6.586,53 15.703,54 18.194,55 14.635,56 25.253,57 4.584,58 13.523,60 17.086,61 8,62 57.321,63 7.938,64 5.181,65 18.362,66 29.641,67 1.047,68 5.789,69 23.945,70 20.338,71 11.277,72 10.123,73 5.738,74 10.624,75 19.368,76 8.382,77 9.176,78 99.305,79 4.887,80 4.679,81 5.527,82 18.534,83 5.565,84 0.987,85 17.658,86 15.961,87 3,88 13.738,89 25.915,90 3.911,91 48.674,92 4.488,93 5.713,94 4,95 0.443,96 27.776,97 17.578,98 14.871,99 2.786,100 4.636,101 7.775,102 16.711,103 13.112,104 11.523,105 1.061,106 14.902,107 8.12,108 12.522,109 10.378,110 10.378,111 11.212,112 24.06,113 22.21,114 10.546,115 17.824,116 12.684,117 6.965,118 9.307,119 20.367,120 13.057,121 2.999,122 2.894,123 9.274,124 3.517,125 12.958,126 4.653,127 4.249,128 88.596,129 15.574,130 11.64,131 4.617,132 2.043,133 4.59,134 4.45,135 5.602,136 11.347,137 8.523,138 10.712,139 8.494,140 1.949,141 28,142 5.846,143 5.406,144 5.358,145 5.136,146 1.176,147 28.601,148 248.432,149 4.057,150 5.846,152 6.524,153 4.703,154 5.273,155 32,156 1.212,157 13.199,158 4.732,159 5.024,160 1.47,161 5.318,162 10.761,163 7.057,164 4.346,165 5.092,166 4.977,167 6.624,168 6.444,169 2.584,170 9.903,171 7.413,172 59.875,173 5.629,174 9.88,175 15.144,176 7.494,177 5.62,178 3.966,179 3.045,181 5,182 10,183 1.225,184 6.064,185 14,186 0.779,187 3.072,188 376.675,189 376.675,190 376.675,192 15.462,193 7.192,195 4.952,196 6.375,197 4.051,198 8,199 376.675,200 9.619,201 12.513,202 6.04,203 3.023,204 8.68,205 0.233,206 8.36,207 3.093,208 3.093,209 0.077,210 92,211 5.394,212 4.137,213 364.904,214 7.962}
{0 CHEMBL2163915,3 10.803,4 10.803,5 10.803,6 18.139,7 6.717,8 6.717,9 3.942,10 3.942,11 5.942,12 5.079,13 3.079,14 3.079,15 4.129,16 4.129,17 3.156,18 3.156,19 5.156,20 3.156,24 27.109,25 4.474,26 4.474,27 4.474,28 29.471,29 36.491,30 34.151,31 1.254,32 24.815,33 22.43,34 7.474,35 31.796,36 2.041,37 4.53,38 4.53,39 7.13,40 1.92,41 1.944,42 6.399,43 20.202,44 5.519,45 12.558,46 17.959,47 10.458,48 16.873,49 26.296,50 11.418,51 2.035,52 6.6,53 15.771,54 18.303,55 14.703,56 24.358,57 4.632,58 13.591,60 17.194,61 8,62 56.283,63 7.957,64 5.188,65 18.196,66 29.728,67 1.047,68 5.769,69 23.408,70 20.076,71 11.277,72 9.572,73 5.731,74 10.629,75 18.979,76 8.44,77 9.24,78 98.099,79 4.836,80 4.673,81 5.524,82 18.622,83 5.553,84 0.987,85 17.754,86 16.068,87 3,88 13.842,89 26.005,90 4.083,91 47.602,92 4.502,93 5.713,94 4,95 0.437,96 27.865,97 17.57,98 14.976,99 2.775,100 4.637,101 7.668,102 16.796,103 13.19,104 11.621,105 1.059,106 14.985,107 8.197,108 12.627,109 10.433,110 10.433,111 11.301,112 24.15,113 22.3,114 10.636,115 17.117,116 12.784,117 7.024,118 9.396,119 20.457,120 13.158,121 3.007,122 2.861,123 9.284,124 3.517,125 13.052,126 4.656,127 4.249,128 88.04,129 15.67,130 11.739,131 4.622,132 2.035,133 4.601,134 4.478,135 5.601,136 11.421,137 8.523,138 10.789,139 8.571,140 1.953,141 33,142 5.862,143 5.41,144 5.42,145 5.278,146 1.174,147 27.505,148 259.432,149 4.057,150 5.833,152 6.576,153 4.691,154 5.434,155 36,156 1.212,157 13.168,158 4.734,159 5.136,160 1.483,161 5.464,162 10.853,163 7.132,164 4.334,165 5.111,166 5.063,167 6.66,168 6.667,169 2.592,170 9.903,171 7.774,172 58.295,173 5.651,174 9.966,175 15.47,176 7.551,177 5.616,178 3.977,179 3.434,181 6,182 10,183 1.225,184 6.163,185 13,186 0.76,187 3.098,188 353.133,189 353.133,190 353.133,192 15.726,193 7.263,195 5.001,196 6.435,197 4.052,198 8,199 353.133,200 9.688,201 12.712,202 6.336,203 3.034,204 8.961,205 0.238,206 8.61,207 3.11,208 3.11,209 0.138,210 92,211 5.557,212 4.138,213 317.82,214 7.971}
{0 CHEMBL2163916,3 10.803,4 10.803,5 10.803,6 18.139,7 6.717,8 6.717,9 3.942,10 3.942,11 5.942,12 5.074,13 3.074,14 3.074,15 4.126,16 4.126,17 3.154,18 3.154,19 5.154,20 3.154,24 27.025,25 4.474,26 4.474,27 4.474,28 29.393,29 36.425,30 34.082,31 1.252,32 24.726,33 22.335,34 7.474,35 31.722,36 2.04,37 4.53,38 4.53,39 7.13,40 1.919,41 1.942,42 6.399,43 20.099,44 5.519,45 12.474,46 17.885,47 10.369,48 16.797,49 23.837,50 11.334,51 2.031,52 6.585,53 15.694,54 18.181,55 14.623,56 22.122,57 4.534,58 13.511,60 17.07,61 8,62 52.435,63 7.937,64 5.183,65 16.27,66 29.631,67 1.002,68 5.691,69 21.738,70 18.39,71 11.277,72 9.023,73 5.65,74 10.624,75 17.067,76 8.346,77 9.154,78 91.474,79 4.736,80 4.57,81 5.441,82 18.505,83 5.478,84 0.977,85 17.645,86 15.944,87 3,88 13.716,89 25.901,90 3.538,91 45.702,92 4.412,93 5.713,94 4,95 0.441,96 27.764,97 16.005,98 14.85,99 2.526,100 4.552,101 7.031,102 16.677,103 13.068,104 11.495,105 1.034,106 14.864,107 8.071,108 12.475,109 10.376,110 10.376,111 11.176,112 24.042,113 22.189,114 10.508,115 16.131,116 12.656,117 6.935,118 9.272,119 20.343,120 13.009,121 2.741,122 2.614,123 9.274,124 3.517,125 12.933,126 4.552,127 4.249,128 81.829,129 15.554,130 11.592,131 4.526,132 2.028,133 4.493,134 4.381,135 5.54,136 11.299,137 8.523,138 10.643,139 8.446,140 1.782,141 27,142 5.77,143 5.34,144 5.354,145 5.037,146 1.063,147 25.592,148 246.939,149 4.055,150 5.758,152 6.48,153 4.6,154 5.165,155 31,156 1.211,157 12.046,158 4.639,159 4.942,160 1.484,161 5.215,162 10.712,163 7.013,164 4.447,165 5.018,166 4.89,167 6.623,168 6,169 2.377,170 9.903,171 7.695,172 54.784,173 5.55,174 9.83,175 14.201,176 7.432,177 5.537,178 3.952,179 3.434,181 5,182 9,183 1.225,184 6.064,185 10,186 0.629,187 2.809,188 329.591,189 329.591,190 329.591,192 14.435,193 7.14,195 4.905,196 6.319,197 4.05,198 8,199 329.591,200 9.566,201 11.692,202 5.658,203 3.023,204 8.059,205 0.241,206 8.218,207 3.092,208 3.092,209 0.08,210 85,211 5.338,212 4.136,213 306.049,214 9.656}
{0 CHEMBL2163917,3 10.803,4 10.803,5 10.803,6 18.139,7 6.717,8 6.717,9 3.942,10 3.942,11 5.942,12 5.074,13 3.074,14 3.074,15 4.126,16 4.126,17 3.154,18 3.154,19 5.154,20 3.154,24 27.025,25 4.474,26 4.474,27 4.474,28 29.393,29 36.425,30 34.082,31 1.252,32 24.726,33 22.335,34 7.474,35 31.722,36 2.04,37 4.53,38 4.53,39 7.13,40 1.919,41 1.942,42 6.399,43 20.099,44 5.519,45 12.474,46 17.885,47 10.369,48 16.797,49 24.041,50 11.334,51 2.031,52 6.585,53 15.694,54 18.181,55 14.623,56 22.616,57 4.534,58 13.511,60 17.07,61 8,62 53.256,63 7.937,64 5.183,65 16.523,66 29.631,67 1.026,68 5.692,69 21.983,70 18.379,71 11.277,72 9.023,73 5.665,74 10.624,75 17.251,76 8.346,77 9.154,78 91.474,79 4.736,80 4.583,81 5.452,82 18.505,83 5.478,84 0.984,85 17.645,86 15.944,87 3,88 13.716,89 25.901,90 3.546,91 45.065,92 4.416,93 5.713,94 4,95 0.441,96 27.764,97 16.106,98 14.85,99 2.556,100 4.557,101 7.031,102 16.677,103 13.068,104 11.495,105 1.033,106 14.864,107 8.071,108 12.475,109 10.376,110 10.376,111 11.176,112 24.042,113 22.189,114 10.508,115 16.13,116 12.656,117 6.935,118 9.272,119 20.343,120 13.009,121 2.748,122 2.629,123 9.274,124 3.517,125 12.933,126 4.562,127 4.249,128 81.829,129 15.554,130 11.592,131 4.533,132 2.027,133 4.499,134 4.384,135 5.536,136 11.299,137 8.523,138 10.643,139 8.446,140 1.782,141 27,142 5.766,143 5.336,144 5.354,145 5.037,146 1.079,147 25.623,148 246.939,149 4.055,150 5.77,152 6.48,153 4.605,154 5.165,155 31,156 1.211,157 12.056,158 4.636,159 4.942,160 1.484,161 5.215,162 10.712,163 7.013,164 4.447,165 5.018,166 4.89,167 6.623,168 6,169 2.397,170 9.903,171 7.695,172 54.315,173 5.544,174 9.83,175 14.181,176 7.432,177 5.549,178 3.955,179 3.434,181 5,182 9,183 1.225,184 6.064,185 11,186 0.588,187 2.809,188 329.591,189 329.591,190 329.591,192 14.42,193 7.14,195 4.905,196 6.319,197 4.05,198 8,199 329.591,200 9.566,201 11.681,202 5.683,203 3.023,204 8.108,205 0.241,206 8.218,207 3.092,208 3.092,209 0.08,210 85,211 5.338,212 4.136,213 294.278,214 9.562}
{0 CHEMBL2163918,3 11.251,4 11.251,5 11.251,6 18.706,7 6.819,8 6.819,9 3.942,10 3.942,11 5.942,12 5.177,13 3.177,14 3.177,15 4.194,16 4.194,17 3.203,18 3.203,19 5.203,20 3.203,24 27.404,25 4.474,26 4.474,27 4.474,28 29.802,29 36.939,30 34.559,31 1.335,32 25.07,33 22.652,34 7.474,35 32.166,36 2.167,37 4.562,38 4.562,39 7.13,40 2.069,41 2.087,42 6.508,43 20.384,44 5.552,45 12.689,46 18.187,47 10.555,48 17.081,49 28.523,50 11.532,51 2.151,52 6.716,53 15.96,54 18.423,55 14.872,56 26.534,57 4.655,58 13.742,60 17.3,61 8,62 58.315,63 7.937,64 5.249,65 19.82,66 29.878,67 1.053,68 5.819,69 25.59,70 22.35,71 11.277,72 10.309,73 5.77,74 10.624,75 20.741,76 8.506,77 9.32,78 101.095,79 4.957,80 4.756,81 5.561,82 18.689,83 5.603,84 0.989,85 17.908,86 16.162,87 3,88 13.911,89 26.126,90 4.478,91 50.151,92 4.568,93 5.713,94 4,95 0.438,96 28,97 18.997,98 15.057,99 2.981,100 4.721,101 7.984,102 16.852,103 13.225,104 11.667,105 1.06,106 15.029,107 8.236,108 12.662,109 10.802,110 10.802,111 11.357,112 24.257,113 22.393,114 10.672,115 18.523,116 12.841,117 7.071,118 9.421,119 20.537,120 13.19,121 3.31,122 3.12,123 9.274,124 3.517,125 13.144,126 4.736,127 4.249,128 90.269,129 15.784,130 11.77,131 4.692,132 2.142,133 4.665,134 4.522,135 5.649,136 11.447,137 8.523,138 10.831,139 8.592,140 1.951,141 34,142 5.922,143 5.451,144 5.354,145 5.298,146 1.211,147 30.663,148 237.432,149 4.08,150 5.899,152 6.62,153 4.785,154 5.434,155 36,156 1.225,157 13.819,158 4.831,159 5.176,160 1.491,161 5.517,162 10.881,163 7.14,164 4.263,165 5.114,166 5.124,167 6.623,168 6.667,169 2.762,170 9.903,171 7.413,172 60.924,173 5.706,174 9.991,175 16.086,176 7.571,177 5.676,178 4,179 3.045,181 6,182 9,183 1.249,184 6.214,185 24,186 0.816,187 3.165,188 376.675,189 376.675,190 376.675,191 1,192 16.391,193 7.281,195 5.03,196 6.447,197 4.08,198 8,199 376.675,200 9.707,201 13.26,202 6.727,203 3.058,204 9.366,205 0.225,206 8.677,207 3.147,208 3.147,209 0.133,210 95,211 5.595,212 4.148,213 364.904,214 7.363}
{0 CHEMBL2163919,3 10.803,4 10.803,5 10.803,6 18.139,7 6.717,8 6.717,9 3.942,10 3.942,11 5.942,12 5.09,13 3.09,14 3.09,15 4.13,16 4.13,17 3.156,18 3.156,19 5.156,20 3.156,24 27.106,25 4.474,26 4.474,27 4.474,28 29.469,29 36.489,30 34.149,31 1.318,32 24.813,33 22.427,34 7.474,35 31.793,36 2.165,37 4.53,38 4.53,39 7.13,40 2.063,41 2.082,42 6.404,43 20.2,44 5.519,45 12.617,46 18.031,47 10.511,48 16.944,49 27.927,50 11.47,51 2.148,52 6.6,53 15.838,54 18.293,55 14.768,56 26.562,57 4.655,58 13.651,60 17.184,61 8,62 58.697,63 7.937,64 5.185,65 19.766,66 29.726,67 1.055,68 5.799,69 25.59,70 21.361,71 11.277,72 10.309,73 5.774,74 10.624,75 20.267,76 8.486,77 9.282,78 101.095,79 4.957,80 4.738,81 5.56,82 18.621,83 5.579,84 0.991,85 17.75,86 16.058,87 3,88 13.832,89 26.003,90 4.403,91 50.125,92 4.568,93 5.713,94 4,95 0.438,96 27.863,97 18.995,98 14.967,99 2.958,100 4.679,101 7.984,102 16.796,103 13.192,104 11.612,105 1.053,106 14.985,107 8.197,108 12.629,109 10.432,110 10.432,111 11.302,112 24.148,113 22.299,114 10.633,115 18.523,116 12.777,117 7.054,118 9.387,119 20.456,120 13.16,121 3.182,122 3.023,123 9.274,124 3.517,125 13.049,126 4.732,127 4.249,128 90.269,129 15.669,130 11.741,131 4.669,132 2.137,133 4.66,134 4.522,135 5.649,136 11.424,137 8.523,138 10.814,139 8.573,140 1.954,141 34,142 5.887,143 5.451,144 5.354,145 5.293,146 1.211,147 29.265,148 237.432,149 4.075,150 5.862,152 6.615,153 4.745,154 5.451,155 36,156 1.225,157 13.819,158 4.787,159 5.153,160 1.491,161 5.525,162 10.857,163 7.124,164 4.263,165 5.114,166 5.1,167 6.623,168 6.667,169 2.761,170 9.903,171 7.413,172 59.968,173 5.669,174 9.971,175 16.076,176 7.568,177 5.639,178 4,179 3.045,181 6,182 9,183 1.249,184 6.153,185 24,186 0.816,187 3.285,188 376.675,189 376.675,190 376.675,191 1,192 16.385,193 7.269,195 5.03,196 6.444,197 4.075,198 8,199 376.675,200 9.692,201 13.254,202 6.631,203 3.046,204 9.338,205 0.225,206 8.677,207 3.108,208 3.108,209 0.133,210 95,211 5.583,212 4.146,213 364.904,214 7.358}
{0 CHEMBL2163920,3 10.842,4 10.842,5 10.842,6 18.185,7 6.726,8 6.726,9 3.94,10 3.94,11 5.94,12 5.081,13 3.081,14 3.081,15 4.137,16 4.137,17 3.165,18 3.165,19 5.165,20 3.165,24 26.751,25 3.695,26 3.695,27 3.695,28 29.127,29 36.178,30 33.828,31 1.238,32 24.454,33 22.056,34 6.695,35 31.459,36 2.06,37 4.334,38 4.334,39 7.099,40 1.91,41 1.939,42 6.528,43 19.833,44 5.324,45 12.237,46 17.58,47 10.17,48 16.505,49 23.773,50 11.097,51 2.047,52 6.586,53 15.408,54 17.903,55 14.355,56 23.013,57 4.403,58 13.248,60 16.799,61 8,62 52.931,63 7.906,64 5.185,65 16.574,66 29.382,67 0.999,68 5.647,69 22.598,70 18.393,71 11.225,72 9.462,73 5.647,74 10.577,75 16.92,76 8.191,77 8.946,78 90.182,79 4.78,80 4.548,81 5.425,82 18.292,83 5.432,84 0.898,85 17.375,86 15.676,87 3,88 13.464,89 25.659,90 3.353,91 45.722,92 4.386,93 5.69,94 4,95 0.449,96 27.518,97 16.353,98 14.595,99 2.476,100 4.534,101 7.176,102 16.475,103 12.892,104 11.263,105 1.001,106 14.674,107 7.879,108 12.275,109 10.338,110 10.338,111 10.976,112 23.805,113 21.959,114 10.309,115 16.624,116 12.424,117 6.759,118 9.066,119 20.121,120 12.819,121 2.704,122 2.545,123 9.235,124 3.504,125 12.689,126 4.546,127 4.234,128 80.283,129 15.312,130 11.405,131 4.485,132 2.043,133 4.469,134 4.333,135 5.531,136 11.136,137 8.485,138 10.514,139 8.286,140 1.638,141 23,142 5.761,143 5.323,144 5.341,145 4.812,146 1.172,147 25.677,148 237.432,149 3.921,150 5.729,152 6.365,153 4.589,154 4.927,155 26,156 1.221,157 12.126,158 4.64,159 4.736,160 1.468,161 4.963,162 10.538,163 6.836,164 3.645,165 4.977,166 4.771,167 6.601,168 5.111,169 2.354,170 9.858,171 6.605,172 52.425,173 5.53,174 9.67,175 13.736,176 7.335,177 5.508,178 3.946,179 2.398,181 4,182 9,183 1.227,184 5.921,185 15,186 0.763,187 2.854,188 353.133,189 353.133,190 353.133,192 14.005,193 6.999,195 4.82,196 6.209,197 3.922,198 8,199 353.133,200 9.42,201 11.365,202 5.199,203 2.988,204 7.539,205 0.234,206 7.841,207 3.047,208 3.047,210 83,211 4.949,212 4.017,213 353.133,214 6.987}
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{0 CHEMBL2171848,3 10.932,4 10.932,5 10.932,6 18.273,7 6.742,8 6.742,9 3.948,10 3.948,11 5.948,12 5.07,13 3.07,14 3.07,15 4.149,16 4.149,17 3.183,18 3.183,19 5.183,20 3.183,24 26.506,25 3.627,26 3.627,27 3.627,28 28.884,29 35.964,30 33.601,31 1.257,32 24.211,33 21.817,34 6.627,35 31.224,36 2.062,37 4.293,38 4.293,39 8.18,40 1.903,41 1.933,42 6.544,43 19.612,44 5.282,45 12.09,46 17.349,47 10.065,48 16.29,49 22.649,50 10.957,51 2.045,52 6.167,53 15.204,54 17.77,55 14.171,56 23.473,57 4.387,58 13.074,60 16.67,61 9,62 54.967,63 9.061,64 5.2,65 16.651,66 29.132,67 0.997,68 5.628,69 22.793,70 17.169,71 13.143,72 9.367,73 5.676,74 12.319,75 15.851,76 8.129,77 8.842,78 90.391,79 4.748,80 4.513,81 5.445,82 18.143,83 5.417,84 0.915,85 17.163,86 15.549,87 3,88 13.348,89 25.436,90 3.484,91 47.701,92 4.379,93 6.545,94 4,95 0.448,96 27.28,97 16.324,98 14.476,99 2.407,100 4.486,101 7.176,102 16.348,103 12.811,104 11.166,105 1.036,106 14.57,107 7.796,108 12.251,109 9.106,110 9.106,111 10.88,112 23.599,113 21.77,114 10.236,115 16.601,116 12.325,117 6.693,118 8.992,119 19.951,120 12.796,121 2.616,122 2.436,123 10.673,124 3.99,125 12.528,126 4.537,127 4.881,128 80.61,129 15.14,130 11.381,131 4.45,132 2.04,133 4.459,134 4.331,135 5.566,136 11.078,137 9.819,138 10.484,139 8.244,140 1.536,141 23,142 5.753,143 5.354,144 6.001,145 4.804,146 1.18,147 24.056,148 280.115,149 3.911,150 5.732,152 6.339,153 4.526,154 4.942,155 26,156 1.218,157 12.092,158 4.588,159 4.736,160 1.46,161 4.997,162 10.518,163 6.792,164 4.498,165 4.99,166 4.787,167 7.497,168 4.444,169 2.371,170 11.473,171 6.823,172 52.152,173 5.533,174 9.65,175 13.697,176 7.327,177 5.511,178 3.939,179 2.398,181 4,182 10,183 1.226,184 5.861,185 14,186 0.809,187 3.019,188 341.362,189 341.362,190 341.362,192 13.942,193 6.974,195 4.813,196 6.201,197 3.913,198 6,199 341.362,200 9.382,201 11.299,202 5.196,203 2.863,204 7.441,205 0.239,206 7.854,207 2.917,208 2.917,210 83,211 5.03,212 4.013,213 341.362,214 5}
{0 CHEMBL2171849,3 10.932,4 10.932,5 10.932,6 18.273,7 6.742,8 6.742,9 3.948,10 3.948,11 5.948,12 5.07,13 3.07,14 3.07,15 4.149,16 4.149,17 3.183,18 3.183,19 5.183,20 3.183,24 26.506,25 3.627,26 3.627,27 3.627,28 28.884,29 35.964,30 33.601,31 1.257,32 24.211,33 21.817,34 6.627,35 31.224,36 2.062,37 4.293,38 4.293,39 8.18,40 1.903,41 1.933,42 6.544,43 19.612,44 5.282,45 12.09,46 17.349,47 10.065,48 16.29,49 22.649,50 10.957,51 2.045,52 6.167,53 15.204,54 17.77,55 14.171,56 23.473,57 4.387,58 13.074,60 16.67,61 9,62 54.967,63 9.061,64 5.2,65 16.651,66 29.132,67 0.997,68 5.628,69 22.793,70 17.169,71 13.143,72 9.367,73 5.676,74 12.319,75 15.851,76 8.129,77 8.842,78 90.391,79 4.748,80 4.513,81 5.445,82 18.143,83 5.417,84 0.915,85 17.163,86 15.549,87 3,88 13.348,89 25.436,90 3.484,91 47.701,92 4.379,93 6.545,94 4,95 0.448,96 27.28,97 16.324,98 14.476,99 2.407,100 4.486,101 7.176,102 16.348,103 12.811,104 11.166,105 1.036,106 14.57,107 7.796,108 12.251,109 9.106,110 9.106,111 10.88,112 23.599,113 21.77,114 10.236,115 16.601,116 12.325,117 6.693,118 8.992,119 19.951,120 12.796,121 2.616,122 2.436,123 10.673,124 3.99,125 12.528,126 4.537,127 4.881,128 80.61,129 15.14,130 11.381,131 4.45,132 2.04,133 4.459,134 4.331,135 5.566,136 11.078,137 9.819,138 10.484,139 8.244,140 1.536,141 23,142 5.753,143 5.354,144 6.001,145 4.804,146 1.18,147 24.056,148 280.115,149 3.911,150 5.732,152 6.339,153 4.526,154 4.942,155 26,156 1.218,157 12.092,158 4.588,159 4.736,160 1.46,161 4.997,162 10.518,163 6.792,164 4.498,165 4.99,166 4.787,167 7.497,168 4.444,169 2.371,170 11.473,171 6.823,172 52.152,173 5.533,174 9.65,175 13.697,176 7.327,177 5.511,178 3.939,179 2.398,181 4,182 10,183 1.226,184 5.861,185 14,186 0.809,187 3.019,188 341.362,189 341.362,190 341.362,192 13.942,193 6.974,195 4.813,196 6.201,197 3.913,198 6,199 341.362,200 9.382,201 11.299,202 5.196,203 2.863,204 7.441,205 0.239,206 7.854,207 2.917,208 2.917,210 83,211 5.03,212 4.013,213 341.362,214 5.996}
{0 CHEMBL2171850,3 10.932,4 10.932,5 10.932,6 18.273,7 6.742,8 6.742,9 3.948,10 3.948,11 5.948,12 5.07,13 3.07,14 3.07,15 4.149,16 4.149,17 3.183,18 3.183,19 5.183,20 3.183,24 26.506,25 3.627,26 3.627,27 3.627,28 28.884,29 35.964,30 33.601,31 1.257,32 24.211,33 21.817,34 6.627,35 31.224,36 2.062,37 4.293,38 4.293,39 8.18,40 1.903,41 1.933,42 6.544,43 19.612,44 5.282,45 12.09,46 17.349,47 10.065,48 16.29,49 22.649,50 10.957,51 2.045,52 6.167,53 15.204,54 17.77,55 14.171,56 23.473,57 4.387,58 13.074,60 16.67,61 9,62 54.967,63 9.061,64 5.2,65 16.651,66 29.132,67 0.997,68 5.628,69 22.793,70 17.169,71 13.143,72 9.367,73 5.676,74 12.319,75 15.851,76 8.129,77 8.842,78 90.391,79 4.748,80 4.513,81 5.445,82 18.143,83 5.417,84 0.915,85 17.163,86 15.549,87 3,88 13.348,89 25.436,90 3.484,91 47.701,92 4.379,93 6.545,94 4,95 0.448,96 27.28,97 16.324,98 14.476,99 2.407,100 4.486,101 7.176,102 16.348,103 12.811,104 11.166,105 1.036,106 14.57,107 7.796,108 12.251,109 9.106,110 9.106,111 10.88,112 23.599,113 21.77,114 10.236,115 16.601,116 12.325,117 6.693,118 8.992,119 19.951,120 12.796,121 2.616,122 2.436,123 10.673,124 3.99,125 12.528,126 4.537,127 4.881,128 80.61,129 15.14,130 11.381,131 4.45,132 2.04,133 4.459,134 4.331,135 5.566,136 11.078,137 9.819,138 10.484,139 8.244,140 1.536,141 23,142 5.753,143 5.354,144 6.001,145 4.804,146 1.18,147 24.056,148 280.115,149 3.911,150 5.732,152 6.339,153 4.526,154 4.942,155 26,156 1.218,157 12.092,158 4.588,159 4.736,160 1.46,161 4.997,162 10.518,163 6.792,164 4.498,165 4.99,166 4.787,167 7.497,168 4.444,169 2.371,170 11.473,171 6.823,172 52.152,173 5.533,174 9.65,175 13.697,176 7.327,177 5.511,178 3.939,179 2.398,181 4,182 10,183 1.226,184 5.861,185 14,186 0.809,187 3.019,188 341.362,189 341.362,190 341.362,192 13.942,193 6.974,195 4.813,196 6.201,197 3.913,198 6,199 341.362,200 9.382,201 11.299,202 5.196,203 2.863,204 7.441,205 0.239,206 7.854,207 2.917,208 2.917,210 83,211 5.03,212 4.013,213 341.362,214 6.119}
{0 CHEMBL2171851,3 10.932,4 10.932,5 10.932,6 18.273,7 6.742,8 6.742,9 3.948,10 3.948,11 5.948,12 5.07,13 3.07,14 3.07,15 4.149,16 4.149,17 3.183,18 3.183,19 5.183,20 3.183,24 26.506,25 3.627,26 3.627,27 3.627,28 28.884,29 35.964,30 33.601,31 1.257,32 24.211,33 21.817,34 6.627,35 31.224,36 2.063,37 4.293,38 4.293,39 7.372,40 1.903,41 1.933,42 6.544,43 19.612,44 5.282,45 12.104,46 17.366,47 10.077,48 16.306,49 23.416,50 10.971,51 2.047,52 6.167,53 15.22,54 17.77,55 14.187,56 23.905,57 4.396,58 13.089,60 16.67,61 9,62 55.445,63 8.18,64 5.2,65 16.522,66 29.132,67 0.997,68 5.653,69 23.091,70 17.145,71 11.501,72 9.574,73 5.692,74 10.853,75 16.007,76 8.138,77 8.855,78 91.68,79 4.772,80 4.527,81 5.455,82 18.143,83 5.434,84 0.917,85 17.163,86 15.549,87 3,88 13.348,89 25.436,90 3.509,91 48.37,92 4.389,93 5.957,94 4,95 0.448,96 27.28,97 16.347,98 14.476,99 2.451,100 4.496,101 7.092,102 16.348,103 12.811,104 11.166,105 1.041,106 14.57,107 7.796,108 12.251,109 9.106,110 9.106,111 10.88,112 23.599,113 21.77,114 10.236,115 17.021,116 12.325,117 6.704,118 8.992,119 19.951,120 12.796,121 2.689,122 2.492,123 9.51,124 3.522,125 12.528,126 4.547,127 4.481,128 81.385,129 15.14,130 11.381,131 4.457,132 2.042,133 4.465,134 4.336,135 5.577,136 11.078,137 8.76,138 10.484,139 8.244,140 1.541,141 23,142 5.785,143 5.362,144 5.594,145 4.804,146 1.18,147 24.676,148 237.432,149 3.912,150 5.751,152 6.345,153 4.545,154 4.942,155 26,156 1.219,157 12.175,158 4.609,159 4.736,160 1.463,161 4.997,162 10.518,163 6.792,164 5.358,165 5,166 4.787,167 6.87,168 4.444,169 2.401,170 10.134,171 6.823,172 53.357,173 5.554,174 9.65,175 13.755,176 7.327,177 5.523,178 3.94,179 2.398,181 4,182 10,183 1.226,184 5.861,185 14,186 0.809,187 3.019,188 341.362,189 341.362,190 341.362,192 14.013,193 6.974,195 4.817,196 6.201,197 3.913,198 6,199 341.362,200 9.382,201 11.359,202 5.219,203 2.871,204 7.487,205 0.238,206 7.854,207 2.917,208 2.917,210 84,211 5.03,212 4.014,213 341.362,214 5.432}
{0 CHEMBL2171852,3 10.932,4 10.932,5 10.932,6 18.273,7 6.742,8 6.742,9 3.948,10 3.948,11 5.948,12 5.07,13 3.07,14 3.07,15 4.149,16 4.149,17 3.183,18 3.183,19 5.183,20 3.183,24 26.506,25 3.627,26 3.627,27 3.627,28 28.884,29 35.964,30 33.601,31 1.257,32 24.211,33 21.817,34 6.627,35 31.224,36 2.063,37 4.293,38 4.293,39 7.372,40 1.903,41 1.933,42 6.544,43 19.612,44 5.282,45 12.104,46 17.366,47 10.077,48 16.306,49 23.416,50 10.971,51 2.047,52 6.167,53 15.22,54 17.77,55 14.187,56 23.905,57 4.396,58 13.089,60 16.67,61 9,62 55.445,63 8.18,64 5.2,65 16.522,66 29.132,67 0.997,68 5.653,69 23.091,70 17.145,71 11.501,72 9.574,73 5.692,74 10.853,75 16.007,76 8.138,77 8.855,78 91.68,79 4.772,80 4.527,81 5.455,82 18.143,83 5.434,84 0.917,85 17.163,86 15.549,87 3,88 13.348,89 25.436,90 3.509,91 48.37,92 4.389,93 5.957,94 4,95 0.448,96 27.28,97 16.347,98 14.476,99 2.451,100 4.496,101 7.092,102 16.348,103 12.811,104 11.166,105 1.041,106 14.57,107 7.796,108 12.251,109 9.106,110 9.106,111 10.88,112 23.599,113 21.77,114 10.236,115 17.021,116 12.325,117 6.704,118 8.992,119 19.951,120 12.796,121 2.689,122 2.492,123 9.51,124 3.522,125 12.528,126 4.547,127 4.481,128 81.385,129 15.14,130 11.381,131 4.457,132 2.042,133 4.465,134 4.336,135 5.577,136 11.078,137 8.76,138 10.484,139 8.244,140 1.541,141 23,142 5.785,143 5.362,144 5.594,145 4.804,146 1.18,147 24.676,148 237.432,149 3.912,150 5.751,152 6.345,153 4.545,154 4.942,155 26,156 1.219,157 12.175,158 4.609,159 4.736,160 1.463,161 4.997,162 10.518,163 6.792,164 5.358,165 5,166 4.787,167 6.87,168 4.444,169 2.401,170 10.134,171 6.823,172 53.357,173 5.554,174 9.65,175 13.755,176 7.327,177 5.523,178 3.94,179 2.398,181 4,182 10,183 1.226,184 5.861,185 14,186 0.809,187 3.019,188 341.362,189 341.362,190 341.362,192 14.013,193 6.974,195 4.817,196 6.201,197 3.913,198 6,199 341.362,200 9.382,201 11.359,202 5.219,203 2.871,204 7.487,205 0.238,206 7.854,207 2.917,208 2.917,210 84,211 5.03,212 4.014,213 341.362,214 6.119}
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{0 CHEMBL263595,3 10.876,4 10.876,5 10.876,6 18.259,7 6.732,8 6.732,9 3.954,10 3.954,11 5.954,12 5.059,13 3.059,14 3.059,15 4.124,16 4.124,17 3.157,18 3.157,19 5.157,20 3.157,24 27.302,25 4.474,26 4.474,27 4.474,28 29.644,29 36.613,30 34.287,31 1.332,32 25.038,33 22.678,34 7.474,35 31.947,36 2.044,37 4.531,38 4.531,39 8.447,40 1.922,41 1.945,42 6.641,43 20.491,44 5.53,45 13.025,46 18.323,47 10.974,48 17.257,49 67.32,50 11.902,51 2.038,52 6.545,53 16.172,54 18.615,55 15.125,56 62.922,57 5.308,58 14.032,60 17.527,61 25,62 150.91,63 9.252,64 5.189,65 39.401,66 30.029,67 1.268,68 6.741,69 59.161,70 47.298,71 12.557,72 25.787,73 6.686,74 11.913,75 42.164,76 9.014,77 9.774,78 250.12,79 6.145,80 5.505,81 6.447,82 19.059,83 6.51,84 1.255,85 18.07,86 16.42,87 3,88 14.237,89 26.348,90 8.272,91 134.597,92 5.276,93 7.04,94 15,95 0.456,96 28.186,97 37.786,98 15.354,99 6.171,100 5.51,101 16.995,102 17.261,103 13.714,104 12.066,105 1.714,106 15.478,107 8.711,108 13.123,109 10.35,110 10.35,111 11.779,112 24.515,113 22.688,114 11.127,115 45.926,116 13.214,117 7.618,118 9.898,119 20.869,120 13.669,121 7.21,122 6.592,123 10.576,124 3.536,125 13.453,126 5.45,127 5.576,128 219.809,129 16.044,130 12.254,131 5.445,132 2.038,133 5.376,134 5.223,135 6.58,136 11.977,137 9.827,138 11.334,139 9.134,140 2.587,141 33,142 6.916,143 6.343,144 6.687,145 5.799,146 1.292,147 73.793,148 709.327,149 4.086,150 6.841,152 7.215,153 5.564,154 5.935,155 53,156 1.299,157 30.17,158 5.658,159 5.666,160 1.439,161 5.951,162 11.392,163 7.701,164 21.011,165 6.001,166 5.613,167 7.95,168 12.667,169 5.846,170 11.195,171 7.854,172 161.305,173 6.685,174 10.527,175 35.441,176 8.208,177 6.604,178 4.042,179 3.434,180 1,181 6,182 36,183 1.324,184 6.232,185 14,186 1.225,187 6.707,188 929.917,189 929.917,190 929.917,192 36.155,193 7.864,194 1,195 5.697,196 7.094,197 4.081,198 31,199 929.917,200 10.278,201 29.412,202 12.641,203 3.047,204 18.23,205 0.204,206 9.538,207 3.102,208 3.102,209 0.138,210 223,211 6.031,212 4.178,213 906.375,214 6.47}
{0 CHEMBL263904,3 10.362,4 10.362,5 10.362,6 17.198,7 6.545,8 6.545,9 4.54,10 4.54,11 6.54,12 4.942,13 2.942,14 2.942,15 4.079,16 4.079,17 3.141,18 3.141,19 5.141,20 3.141,24 25.935,25 4.489,26 4.489,27 4.489,28 28.27,29 35.205,30 32.893,31 1.327,32 23.672,33 21.314,34 7.489,35 30.566,36 2.029,37 4.557,38 4.557,39 0.237,40 1.908,41 1.935,42 6.315,43 19.122,44 5.557,45 11.12,46 16.317,47 9.12,48 15.272,49 13.948,50 10,51 2.065,52 6.145,53 14.201,54 17.367,55 13.179,56 14.568,57 3.582,58 12.095,60 16.259,61 1,62 31.336,63 11.511,64 5.195,65 10.445,66 28.586,67 0.825,68 5.057,69 13.637,70 8.841,71 0.068,72 5.847,73 5.015,74 15.838,75 10.402,76 7.222,77 7.909,78 52.219,79 3.827,80 4.009,81 4.766,82 17.618,83 4.796,84 0.469,85 16.696,86 15.132,88 12.908,89 24.905,90 2.643,91 35.98,92 3.87,93 0.346,95 0.443,96 26.743,97 10.569,98 14.045,99 1.272,100 3.782,101 4.36,102 15.821,103 12.275,104 10.697,105 1.016,106 14.039,107 7.298,108 11.845,109 9.096,110 9.096,111 10.388,112 23.072,113 21.245,114 9.74,115 9.996,116 11.864,117 5.8,118 8.489,119 19.427,120 12.37,121 1.01,122 1.207,123 13.675,124 5.9,125 12.061,126 4.036,127 0.479,128 45.971,129 14.665,130 10.946,131 3.854,132 2.07,133 3.883,134 3.775,135 4.965,136 10.537,137 0.158,138 10.006,139 7.713,140 0.557,141 17,142 4.62,143 4.738,144 7.185,145 4.654,146 0.923,147 12.102,148 70.627,149 4.01,150 4.884,152 5.5,153 3.952,154 4.736,155 17,156 1.094,157 7.191,158 3.786,159 4.477,160 1.346,161 4.727,162 10.06,163 6.256,164 0.364,165 4.501,166 4.344,167 9.348,168 2.222,169 1.333,170 0.104,171 6.823,172 38.695,173 4.373,174 9.163,175 7.649,176 6.758,177 4.626,178 3.661,179 2.398,181 3,182 9,183 1.109,184 5.252,185 2,186 0.349,187 1.187,188 247.193,189 247.193,190 247.193,192 8,193 6.438,195 4.076,196 5.631,197 4.004,198 6,199 247.193,200 8.833,201 6.295,202 3.916,203 2.565,204 5.196,205 0.296,206 7.069,207 2.809,208 2.809,209 0.133,210 48,211 4.754,212 4.109,213 279.413,214 5.509}
{0 CHEMBL263917,3 11.91,4 11.91,5 11.91,6 18.754,7 6.996,8 6.996,9 4.828,10 4.828,11 6.828,12 5.027,13 3.027,14 3.027,15 4.223,16 4.223,17 3.304,18 3.304,19 5.304,20 3.304,24 27.483,25 4.49,26 4.49,27 4.49,28 29.934,29 37.29,30 34.835,31 1.49,32 25.057,33 22.604,34 7.49,35 32.379,36 2.086,37 4.566,38 4.566,39 0.237,40 1.908,41 1.935,42 6.766,43 20.221,44 5.566,45 11.781,46 17.149,47 9.689,48 16.072,49 18.42,50 10.644,51 2.066,52 6.543,53 14.976,54 18.337,55 13.916,56 21.101,57 3.919,58 12.809,60 17.175,61 5,62 46.798,63 11.511,64 5.386,65 15.633,66 29.612,67 0.912,68 5.337,69 19.59,70 10.456,71 0.068,72 7.608,73 5.354,74 15.838,75 13.48,76 7.68,77 8.473,78 63.464,79 4.202,80 4.301,81 5.09,82 18.243,83 5.058,84 0.825,85 17.741,86 16.004,87 5,88 13.68,89 25.799,90 4.227,91 47.355,92 4.126,93 0.346,94 5,95 0.435,96 27.703,97 15.109,98 14.856,99 1.758,100 3.996,101 5.55,102 16.377,103 12.698,104 11.363,105 1.164,106 14.527,107 7.883,108 12.086,109 10.352,110 10.352,111 10.896,112 23.899,113 22.006,114 10.309,115 13.554,116 12.561,117 6.266,118 9.046,119 20.12,120 12.609,121 1.341,122 1.599,123 13.675,124 5.9,125 12.875,126 4.34,127 0.479,128 55.621,129 15.468,130 11.181,131 4.104,132 2.07,133 4.159,134 4.018,135 5.271,136 10.897,137 0.158,138 10.274,139 8.144,140 0.98,141 23,142 4.882,143 5.036,144 7.185,145 4.86,146 0.924,147 14.925,148 82.398,149 4.016,150 5.125,152 5.836,153 4.176,154 4.997,155 22,156 1.099,157 9.626,158 4.021,159 4.663,160 1.371,161 5.069,162 10.296,163 6.698,164 0.267,165 4.728,166 4.554,167 9.348,168 2.889,169 1.804,170 0.104,171 6.823,172 49.493,173 4.643,174 9.391,175 9.672,176 6.986,177 4.861,178 3.894,179 2.398,181 4,182 13,183 1.327,184 5.374,185 8,186 0.443,187 1.359,188 317.82,189 317.82,190 317.82,192 10.015,193 6.713,194 1,195 4.308,196 5.861,197 4.013,198 7,199 317.82,200 9.139,201 7.923,202 5.818,203 2.933,204 7.503,205 0.268,206 7.666,207 3.121,208 3.121,209 0.095,210 59,211 5.193,212 4.115,213 350.039,214 5.854}
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{0 CHEMBL271590,3 15.213,4 15.213,5 15.213,6 23.46,7 7.987,8 7.987,9 4.182,10 4.182,11 6.182,12 5.645,13 3.645,14 3.645,15 4.644,16 4.644,17 3.643,18 3.643,19 5.643,20 3.643,24 29.947,25 4.128,26 4.128,27 4.128,28 32.669,29 40.832,30 38.111,31 1.556,32 27.234,33 24.51,34 7.128,35 35.389,36 2.156,37 4.767,38 4.767,39 6.097,40 1.994,41 2.022,42 7.669,43 21.817,44 5.767,45 13.062,46 19.427,47 10.591,48 18.145,49 25.077,50 11.78,51 2.143,52 6.157,53 16.861,54 19.431,55 15.589,56 25.184,57 4.178,58 14.31,60 18.152,61 7,62 45.773,63 6.934,64 5.682,65 17.04,66 31.213,67 0.825,68 5.638,69 22.234,70 13.318,71 10.289,72 8.623,73 5.578,74 9.64,75 16.897,76 8.236,77 9.277,78 64.434,79 4.563,80 4.442,81 5.308,82 18.936,83 5.326,84 0.825,85 19.084,86 16.872,87 7,88 14.328,89 27.09,90 4.151,91 39.028,92 4.141,93 4.659,94 6,95 0.432,96 29.149,97 15.1,98 15.605,99 2.152,100 4.101,101 5.951,102 16.933,103 13.006,104 11.807,105 1.215,106 14.954,107 8.205,108 12.209,109 9.083,110 9.083,111 11.331,112 25.037,113 22.992,114 10.628,115 15.556,116 13.087,117 6.78,118 9.31,119 20.957,120 12.719,121 1.596,122 2.044,123 8.282,124 3.499,125 13.673,126 4.4,127 3.181,128 55.785,129 16.466,130 11.289,131 4.259,132 2.136,133 4.257,134 4.034,135 5.383,136 11.1,137 7.508,138 10.408,139 8.282,140 1,141 24,142 5.043,143 5.139,144 4.322,145 4.89,146 1.064,147 20.072,148 119.314,149 3.984,150 5.462,151 1,152 6.11,153 4.334,154 4.92,155 22,156 1.158,157 10.519,158 4.054,159 4.727,160 1.505,161 5.037,162 10.372,163 6.815,164 -0.435,165 4.75,166 4.605,167 5.608,168 4.444,169 1.948,170 8.903,172 45.388,173 4.731,174 9.455,175 9.834,176 6.982,177 5.119,178 3.77,180 2,181 4,182 15,183 1.446,184 5.886,185 17,186 0.67,187 1.351,188 364.904,189 364.904,190 364.904,191 1,192 10.143,193 6.77,194 2,195 4.392,196 5.849,197 3.984,198 8,199 364.904,200 9.253,201 8.127,202 5.509,203 2.811,204 7.259,205 0.212,206 7.595,207 2.885,208 2.885,209 0.095,210 60,211 5.187,212 4.068,213 364.904,214 5.267}
{0 CHEMBL271662,3 14.217,4 14.217,5 14.217,6 22.123,7 7.797,8 7.797,9 3.898,10 3.898,11 5.898,12 5.554,13 3.554,14 3.554,15 4.559,16 4.559,17 3.561,18 3.561,19 5.561,20 3.561,24 29.235,25 3.932,26 3.932,27 3.932,28 31.883,29 39.828,30 37.178,31 1.493,32 26.602,33 23.955,34 6.932,35 34.528,36 2.133,37 4.635,38 4.635,39 7.91,40 1.961,41 1.991,42 7.599,43 21.356,44 5.635,45 12.929,46 19.097,47 10.562,48 17.85,49 31.9,50 11.68,51 2.114,52 6.624,53 16.601,54 19.181,55 15.37,56 29.958,57 4.414,58 14.125,60 17.938,61 4,62 58.524,63 8.809,64 5.594,65 21.694,66 30.913,67 0.991,68 5.834,69 24.416,70 20.431,71 13.036,72 9.889,73 5.74,74 12.188,75 22.819,76 8.332,77 9.271,78 85.252,79 4.773,80 4.679,81 5.5,82 18.869,83 5.573,84 0.903,85 18.698,86 16.692,87 1,88 14.225,89 26.859,90 4.126,91 47.114,92 4.383,93 6.203,94 3,95 0.444,96 28.883,97 17.895,98 15.466,99 2.659,100 4.542,101 7.519,102 16.915,103 13.099,104 11.788,105 1.139,106 14.989,107 8.227,108 12.298,109 10.524,110 10.524,111 11.313,112 24.843,113 22.837,114 10.675,115 17.189,116 13.035,117 6.884,118 9.384,119 20.844,120 12.832,121 2.601,122 2.747,123 10.489,124 3.993,125 13.473,126 4.613,127 4.471,128 75.741,129 16.204,130 11.412,131 4.539,132 2.102,133 4.501,134 4.309,135 5.503,136 11.253,137 9.614,138 10.564,139 8.444,140 1.486,141 24,142 5.704,143 5.302,144 5.569,145 4.812,146 1.11,147 27.508,148 194.512,149 3.953,150 5.755,151 1,152 6.34,153 4.671,154 4.905,155 26,156 1.148,157 12.508,158 4.619,159 4.754,160 1.447,161 4.949,162 10.534,163 6.995,164 0.085,165 4.952,166 4.771,167 7.16,168 4.889,169 2.284,170 11.322,172 66.32,173 5.475,174 9.651,175 12.953,176 7.294,177 5.519,178 3.918,180 1,181 4,182 12,183 1.273,184 5.595,185 21,186 0.686,187 2.778,188 411.989,189 411.989,190 411.989,192 13.393,193 7.009,194 1,195 4.724,196 6.168,197 3.957,198 5,199 411.989,200 9.466,201 10.719,202 5.793,203 2.962,204 8.445,205 0.227,206 7.734,207 3.086,208 3.086,210 79,211 4.977,212 4.039,213 411.989,214 7.824}
{0 CHEMBL271755,1 156.713,2 1,3 18.82,4 18.82,5 18.82,6 28.819,7 8.919,8 8.919,9 4.284,10 4.284,11 6.284,12 5.979,13 3.979,14 3.979,15 5.048,16 5.048,17 4.07,18 4.07,19 6.07,20 4.07,21 53.264,22 1,23 1.946,24 32.293,25 4.427,26 4.427,27 4.427,28 35.226,29 44.025,30 41.092,31 1.604,32 29.368,33 26.437,34 7.427,35 38.158,36 2.157,37 5.121,38 5.121,39 6.93,40 2.023,41 2.047,42 8.333,43 23.535,44 6.121,45 13.984,46 20.75,47 11.385,48 19.382,49 31.437,50 12.647,51 2.155,52 7.219,53 18.017,54 21.1,55 16.663,56 32.423,57 4.959,58 15.31,59 1,60 19.712,61 9,62 68.686,63 7.903,64 6.136,65 23.108,66 32.889,67 1.087,68 5.904,69 26.409,70 22.233,71 11.71,72 10.49,73 5.906,74 10.981,75 22.567,76 8.935,77 10.051,78 90.225,79 4.83,80 4.815,81 5.681,82 20.025,83 5.678,84 0.996,85 20.603,86 18.329,87 9,88 15.585,89 28.558,90 6.507,91 54.54,92 4.478,93 5.29,94 6,95 0.415,96 30.72,97 19.439,98 16.956,99 3.099,100 4.672,101 8.046,102 17.941,103 13.875,104 12.886,105 1.29,106 15.889,107 9.103,108 13.227,109 12.064,110 12.064,111 12.313,112 26.405,113 24.262,114 11.605,115 19.127,116 14.241,117 7.524,118 10.251,119 22.134,120 13.692,121 2.757,122 3.011,123 9.436,124 3.889,125 14.823,126 4.729,127 3.598,128 80.174,129 17.787,130 12.233,131 4.737,132 2.151,133 4.672,134 4.439,135 5.665,136 11.912,137 8.539,138 11.16,139 9.114,140 2.008,141 38,142 5.772,143 5.481,144 4.933,145 6.031,146 1.1,147 31.151,148 326.853,149 4.084,150 5.819,151 1,152 6.742,153 4.773,154 6.315,155 43,156 1.119,157 14.08,158 4.708,159 5.737,160 1.508,161 6.531,162 11.254,163 7.678,164 1.387,165 5.101,166 5.442,167 6.393,168 7.167,169 2.679,170 10.13,171 7.91,172 69.715,173 5.531,174 10.267,175 14.301,176 7.605,177 5.579,178 3.952,179 3.932,180 1,181 7,182 18,183 1.225,184 6.446,185 11,186 0.825,187 4.041,188 411.989,189 411.989,190 411.989,191 3,192 14.697,193 7.51,194 3,195 4.95,196 6.503,197 4.079,198 18,199 411.989,200 10.011,201 11.684,202 7.89,203 2.941,204 9.583,205 0.228,206 9.905,207 3.133,208 3.133,209 0.519,210 86,211 6.698,212 4.167,213 411.989,214 9.036}
{0 CHEMBL271797,1 104.256,2 1,3 18.82,4 18.82,5 18.82,6 28.819,7 8.919,8 8.919,9 4.284,10 4.284,11 6.284,12 5.979,13 3.979,14 3.979,15 5.048,16 5.048,17 4.07,18 4.07,19 6.07,20 4.07,21 38.996,22 1,23 1.946,24 32.292,25 4.427,26 4.427,27 4.427,28 35.225,29 44.025,30 41.091,31 1.604,32 29.366,33 26.433,34 7.427,35 38.157,36 2.157,37 5.121,38 5.121,39 0.125,40 2.023,41 2.047,42 8.721,43 23.528,44 6.121,45 13.936,46 20.739,47 11.303,48 19.367,49 28.368,50 12.583,51 2.155,52 7.219,53 17.997,54 21.079,55 16.635,56 26.026,57 4.714,58 15.274,59 1,60 19.686,61 9,62 54.793,63 1.624,64 6.134,65 19.394,66 32.881,67 0.996,68 5.745,69 22.305,70 19.474,71 0.035,72 8.312,73 5.678,74 1.742,75 20.641,76 8.809,77 9.944,78 70.647,79 4.533,80 4.657,81 5.472,82 19.975,83 5.511,84 0.852,85 20.589,86 18.294,87 9,88 15.529,89 28.543,90 6.246,91 43.84,92 4.316,93 0.188,94 6,95 0.411,96 30.709,97 16.504,98 16.911,99 2.601,100 4.518,101 6.471,102 17.875,103 13.768,104 12.797,105 1.179,106 15.803,107 8.975,108 13.157,109 12.064,110 12.064,111 12.236,112 26.384,113 24.234,114 11.494,115 15.342,116 14.169,117 7.356,118 10.116,119 22.096,120 13.617,121 2.427,122 2.647,123 1.676,124 2.117,125 14.779,126 4.565,127 0.268,128 62.883,129 17.761,130 12.157,131 4.579,132 2.151,133 4.504,134 4.269,135 5.473,136 11.782,137 0.082,138 11.051,139 8.957,140 1.444,141 38,142 5.615,143 5.281,144 1.587,145 5.971,146 1.071,147 26.949,148 184.768,149 4.083,150 5.676,151 1,152 6.577,153 4.637,154 6.263,155 38,156 1.1,157 11.512,158 4.544,159 5.663,160 1.523,161 6.483,162 11.16,163 7.485,164 0.772,165 4.88,166 5.375,167 1.592,168 6.278,169 2.24,170 0.054,171 7.91,172 58.12,173 5.361,174 10.167,175 12.042,176 7.438,177 5.431,178 3.94,179 3.932,180 1,181 7,182 14,183 1.224,184 6.141,185 12,186 0.662,187 3.57,188 317.82,189 317.82,190 317.82,191 3,192 12.232,193 7.354,194 2,195 4.773,196 6.323,197 4.077,198 9,199 317.82,200 9.86,201 9.737,202 7.353,203 2.941,204 8.826,205 0.231,206 9.408,207 3.092,208 3.092,209 0.519,210 69,211 6.642,212 4.165,213 317.82,214 8.851}
{0 CHEMBL271811,1 125.529,2 1,3 18.82,4 18.82,5 18.82,6 28.819,7 8.919,8 8.919,9 4.284,10 4.284,11 6.284,12 5.979,13 3.979,14 3.979,15 5.048,16 5.048,17 4.07,18 4.07,19 6.07,20 4.07,21 45.102,22 1,23 1.946,24 32.292,25 4.427,26 4.427,27 4.427,28 35.225,29 44.025,30 41.091,31 1.604,32 29.366,33 26.434,34 7.427,35 38.157,36 2.157,37 5.121,38 5.121,39 0.125,40 2.023,41 2.047,42 8.472,43 23.529,44 6.121,45 13.949,46 20.742,47 11.326,48 19.371,49 31.9,50 12.601,51 2.155,52 7.219,53 18.003,54 21.083,55 16.643,56 28.449,57 4.796,58 15.283,59 1,60 19.691,61 9,62 59.287,63 1.785,64 6.135,65 21.068,66 32.882,67 0.996,68 5.861,69 23.151,70 20.966,71 0.035,72 9.197,73 5.755,74 1.823,75 22.873,76 8.849,77 9.974,78 79.896,79 4.667,80 4.751,81 5.559,82 19.99,83 5.63,84 0.852,85 20.592,86 18.302,87 9,88 15.542,89 28.546,90 6.531,91 46.406,92 4.371,93 0.188,94 6,95 0.416,96 30.712,97 17.365,98 16.921,99 2.807,100 4.631,101 7.29,102 17.897,103 13.812,104 12.82,105 1.227,106 15.835,107 9.015,108 13.21,109 12.064,110 12.064,111 12.266,112 26.389,113 24.241,114 11.526,115 16.446,116 14.187,117 7.408,118 10.156,119 22.107,120 13.672,121 2.653,122 2.899,123 1.792,124 2.117,125 14.789,126 4.632,127 0.268,128 71.305,129 17.768,130 12.214,131 4.681,132 2.151,133 4.588,134 4.341,135 5.519,136 11.839,137 0.082,138 11.118,139 9.012,140 1.867,141 38,142 5.747,143 5.344,144 1.873,145 6.016,146 1.074,147 28.985,148 206.768,149 4.083,150 5.779,151 1,152 6.639,153 4.742,154 6.295,155 40,156 1.1,157 12.551,158 4.643,159 5.724,160 1.491,161 6.516,162 11.224,163 7.55,164 0.755,165 4.997,166 5.447,167 1.81,168 6.5,169 2.363,170 0.054,171 7.91,172 65.777,173 5.498,174 10.235,175 12.912,176 7.523,177 5.547,178 3.948,179 3.932,180 1,181 7,182 16,183 1.225,184 6.179,185 10,186 0.663,187 4.272,188 364.904,189 364.904,190 364.904,191 3,192 13.195,193 7.432,194 2,195 4.846,196 6.412,197 4.078,198 9,199 364.904,200 9.931,201 10.492,202 7.702,203 2.942,204 9.404,205 0.232,206 9.687,207 3.093,208 3.093,209 0.519,210 77,211 6.696,212 4.166,213 364.904,214 9.585}
{0 CHEMBL271815,1 104.256,2 1,3 18.82,4 18.82,5 18.82,6 28.819,7 8.919,8 8.919,9 4.284,10 4.284,11 6.284,12 5.979,13 3.979,14 3.979,15 5.048,16 5.048,17 4.07,18 4.07,19 6.07,20 4.07,21 38.996,22 1,23 1.946,24 32.292,25 4.427,26 4.427,27 4.427,28 35.225,29 44.025,30 41.091,31 1.604,32 29.366,33 26.433,34 7.427,35 38.157,36 2.157,37 5.121,38 5.121,39 0.125,40 2.023,41 2.047,42 8.721,43 23.528,44 6.121,45 13.936,46 20.739,47 11.303,48 19.367,49 28.368,50 12.583,51 2.155,52 7.219,53 17.997,54 21.079,55 16.635,56 26.026,57 4.714,58 15.274,59 1,60 19.686,61 9,62 54.793,63 1.624,64 6.134,65 19.394,66 32.881,67 0.996,68 5.745,69 22.305,70 19.474,71 0.035,72 8.312,73 5.678,74 1.742,75 20.641,76 8.809,77 9.944,78 70.647,79 4.533,80 4.657,81 5.472,82 19.975,83 5.511,84 0.852,85 20.589,86 18.294,87 9,88 15.529,89 28.543,90 6.246,91 43.84,92 4.316,93 0.188,94 6,95 0.411,96 30.709,97 16.504,98 16.911,99 2.601,100 4.518,101 6.471,102 17.875,103 13.768,104 12.797,105 1.179,106 15.803,107 8.975,108 13.157,109 12.064,110 12.064,111 12.236,112 26.384,113 24.234,114 11.494,115 15.342,116 14.169,117 7.356,118 10.116,119 22.096,120 13.617,121 2.427,122 2.647,123 1.676,124 2.117,125 14.779,126 4.565,127 0.268,128 62.883,129 17.761,130 12.157,131 4.579,132 2.151,133 4.504,134 4.269,135 5.473,136 11.782,137 0.082,138 11.051,139 8.957,140 1.444,141 38,142 5.615,143 5.281,144 1.587,145 5.971,146 1.071,147 26.949,148 184.768,149 4.083,150 5.676,151 1,152 6.577,153 4.637,154 6.263,155 38,156 1.1,157 11.512,158 4.544,159 5.663,160 1.523,161 6.483,162 11.16,163 7.485,164 0.772,165 4.88,166 5.375,167 1.592,168 6.278,169 2.24,170 0.054,171 7.91,172 58.12,173 5.361,174 10.167,175 12.042,176 7.438,177 5.431,178 3.94,179 3.932,180 1,181 7,182 14,183 1.224,184 6.141,185 12,186 0.662,187 3.57,188 317.82,189 317.82,190 317.82,191 3,192 12.232,193 7.354,194 2,195 4.773,196 6.323,197 4.077,198 9,199 317.82,200 9.86,201 9.737,202 7.353,203 2.941,204 8.826,205 0.231,206 9.408,207 3.092,208 3.092,209 0.519,210 69,211 6.642,212 4.165,213 317.82,214 9.391}
{0 CHEMBL272021,1 122.658,2 1,3 18.82,4 18.82,5 18.82,6 28.819,7 8.919,8 8.919,9 4.284,10 4.284,11 6.284,12 5.979,13 3.979,14 3.979,15 5.048,16 5.048,17 4.07,18 4.07,19 6.07,20 4.07,21 44.107,22 1,23 1.946,24 32.292,25 4.427,26 4.427,27 4.427,28 35.225,29 44.025,30 41.091,31 1.604,32 29.366,33 26.433,34 7.427,35 38.157,36 2.157,37 5.121,38 5.121,39 0.125,40 2.023,41 2.047,42 8.333,43 23.529,44 6.121,45 13.956,46 20.743,47 11.339,48 19.373,49 29.032,50 12.61,51 2.155,52 7.219,53 18.005,54 21.082,55 16.646,56 26.333,57 4.814,58 15.288,59 1,60 19.69,61 9,62 56.622,63 4.382,64 6.135,65 20.129,66 32.883,67 0.996,68 5.786,69 22.361,70 19.849,71 0.035,72 8.175,73 5.72,74 5.783,75 21.344,76 8.867,77 9.99,78 74.066,79 4.535,80 4.697,81 5.523,82 19.993,83 5.556,84 0.852,85 20.592,86 18.3,87 9,88 15.54,89 28.548,90 6.362,91 43.995,92 4.352,93 0.188,94 6,95 0.412,96 30.712,97 17.013,98 16.92,99 2.701,100 4.556,101 6.703,102 17.9,103 13.813,104 12.819,105 1.18,106 15.838,107 9.014,108 13.192,109 12.064,110 12.064,111 12.262,112 26.39,113 24.243,114 11.525,115 15.255,116 14.186,117 7.428,118 10.156,119 22.109,120 13.655,121 2.474,122 2.73,123 5.075,124 2.873,125 14.79,126 4.607,127 0.268,128 66.538,129 17.767,130 12.196,131 4.631,132 2.151,133 4.56,134 4.319,135 5.5,136 11.838,137 0.082,138 11.103,139 9.008,140 1.541,141 38,142 5.64,143 5.32,144 3.112,145 6.006,146 1.093,147 27.447,148 252.596,149 4.083,150 5.696,151 1,152 6.654,153 4.668,154 6.279,155 40,156 1.101,157 11.846,158 4.568,159 5.71,160 1.53,161 6.504,162 11.205,163 7.55,164 1.467,165 4.921,166 5.412,167 3.719,168 7.167,169 2.315,170 0.054,171 7.91,172 60.826,173 5.396,174 10.216,175 12.607,176 7.509,177 5.455,178 3.951,179 3.932,180 1,181 7,182 14,183 1.225,184 6.149,185 12,186 0.663,187 3.841,188 306.049,189 306.049,190 306.049,191 3,192 12.792,193 7.42,194 2,195 4.854,196 6.399,197 4.078,198 9,199 306.049,200 9.925,201 10.182,202 7.527,203 2.942,204 9.184,205 0.239,206 9.624,207 3.093,208 3.093,209 0.519,210 72,211 6.671,212 4.166,213 306.049,214 7.997}
{0 CHEMBL272051,1 110.215,2 1,3 18.82,4 18.82,5 18.82,6 28.819,7 8.919,8 8.919,9 4.284,10 4.284,11 6.284,12 5.979,13 3.979,14 3.979,15 5.048,16 5.048,17 4.07,18 4.07,19 6.07,20 4.07,21 40.667,22 1,23 1.946,24 32.292,25 4.427,26 4.427,27 4.427,28 35.225,29 44.025,30 41.091,31 1.604,32 29.366,33 26.433,34 7.427,35 38.157,36 2.157,37 5.121,38 5.121,39 0.125,40 2.023,41 2.047,42 8.333,43 23.528,44 6.121,45 13.94,46 20.74,47 11.312,48 19.368,49 29.089,50 12.59,51 2.155,52 7.219,53 17.999,54 21.08,55 16.638,56 26.922,57 4.761,58 15.277,59 1,60 19.687,61 9,62 56.712,63 1.624,64 6.134,65 19.775,66 32.881,67 0.996,68 5.771,69 22.62,70 19.479,71 0.035,72 8.421,73 5.715,74 1.742,75 20.918,76 8.827,77 9.958,78 73.145,79 4.534,80 4.68,81 5.505,82 19.979,83 5.534,84 0.852,85 20.59,86 18.296,87 9,88 15.532,89 28.544,90 6.305,91 44.747,92 4.335,93 0.188,94 6,95 0.41,96 30.71,97 16.572,98 16.914,99 2.671,100 4.532,101 6.472,102 17.881,103 13.783,104 12.803,105 1.184,106 15.813,107 8.989,108 13.171,109 12.064,110 12.064,111 12.244,112 26.385,113 24.236,114 11.504,115 15.693,116 14.174,117 7.383,118 10.13,119 22.099,120 13.632,121 2.429,122 2.667,123 1.676,124 2.117,125 14.781,126 4.588,127 0.268,128 64.985,129 17.762,130 12.172,131 4.6,132 2.151,133 4.53,134 4.291,135 5.494,136 11.802,137 0.082,138 11.072,139 8.976,140 1.444,141 38,142 5.638,143 5.304,144 1.587,145 5.976,146 1.071,147 27.157,148 184.768,149 4.083,150 5.685,151 1,152 6.606,153 4.653,154 6.271,155 39,156 1.1,157 11.673,158 4.555,159 5.684,160 1.522,161 6.492,162 11.178,163 7.513,164 2.249,165 4.904,166 5.394,167 1.592,168 6.722,169 2.313,170 0.054,171 7.91,172 59.581,173 5.385,174 10.186,175 12.226,176 7.467,177 5.442,178 3.95,179 3.932,180 1,181 7,182 14,183 1.224,184 6.143,185 11,186 0.662,187 3.761,188 306.049,189 306.049,190 306.049,191 3,192 12.422,193 7.381,194 2,195 4.803,196 6.354,197 4.078,198 9,199 306.049,200 9.885,201 9.889,202 7.398,203 2.941,204 8.963,205 0.237,206 9.485,207 3.092,208 3.092,209 0.519,210 71,211 6.655,212 4.166,213 306.049,214 9.367}
{0 CHEMBL272063,3 15.134,4 15.134,5 15.134,6 23.153,7 7.964,8 7.964,9 3.967,10 3.967,11 5.967,12 5.485,13 3.485,14 3.485,15 4.58,16 4.58,17 3.615,18 3.615,19 5.615,20 3.615,24 29.886,25 3.956,26 3.956,27 3.956,28 32.604,29 40.754,30 38.038,31 1.521,32 27.173,33 24.45,34 6.956,35 35.32,36 2.126,37 4.681,38 4.681,39 0.125,40 1.953,41 1.98,42 7.68,43 21.748,44 5.681,45 12.527,46 18.73,47 10.093,48 17.485,49 19.338,50 11.264,51 2.105,52 5.661,53 16.237,54 19.28,55 14.999,56 17.526,57 3.751,58 13.747,60 17.998,61 4,62 33.232,63 2.225,64 5.58,65 12.065,66 31.133,67 0.773,68 5.284,69 15.082,70 14.036,71 0.035,72 6.815,73 5.233,74 2.73,75 13.22,76 7.757,77 8.786,78 53.315,79 4.253,80 4.117,81 4.976,82 18.752,83 5.036,84 0.686,85 19.008,86 16.714,87 4,88 14.153,89 26.991,90 2.746,91 28.433,92 3.786,93 0.188,94 4,95 0.456,96 29.061,97 10.6,98 15.438,99 1.465,100 4.049,101 4.818,102 16.715,103 12.712,104 11.599,105 1.075,106 14.698,107 7.966,108 11.775,109 7.163,110 7.163,111 11.103,112 24.924,113 22.86,114 10.385,115 11.209,116 12.892,117 6.303,118 9.054,119 20.802,120 12.291,121 1.691,122 1.621,123 2.473,124 2.302,125 13.543,126 4.012,127 0.268,128 46.243,129 16.354,130 10.864,131 3.974,132 2.093,133 3.89,134 3.696,135 5.025,136 10.77,137 0.082,138 9.982,139 7.976,140 -0.367,141 12,142 5.383,143 4.801,144 1.778,145 4.025,146 0.935,147 20.909,148 113.31,149 3.931,150 5.477,152 5.655,153 4.21,154 3.871,155 13,156 1.031,157 7.719,158 4.19,159 4.078,160 1.405,161 3.611,162 9.96,163 6.509,164 -0.37,165 4.496,166 4.159,167 1.991,168 2.667,169 1.273,170 0.054,172 35.316,173 5.049,174 9.049,175 7.276,176 6.605,177 5.185,178 3.652,180 1,181 2,182 11,183 1.068,184 4.681,185 10,186 0.327,187 1.173,188 306.049,189 306.049,190 306.049,192 7.575,193 6.405,194 2,195 3.999,196 5.485,197 3.933,198 5,199 306.049,200 8.896,201 6.106,202 3.575,203 2.416,204 4.332,205 0.23,206 6.19,207 2.49,208 2.49,210 48,211 3.367,212 4.016,213 306.049,214 6.886}
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{0 CHEMBL272215,1 115.39,2 1,3 18.82,4 18.82,5 18.82,6 28.819,7 8.919,8 8.919,9 4.284,10 4.284,11 6.284,12 5.979,13 3.979,14 3.979,15 5.048,16 5.048,17 4.07,18 4.07,19 6.07,20 4.07,21 42.167,22 1,23 1.946,24 32.292,25 4.427,26 4.427,27 4.427,28 35.225,29 44.025,30 41.091,31 1.604,32 29.366,33 26.433,34 7.427,35 38.157,36 2.157,37 5.121,38 5.121,39 0.125,40 2.023,41 2.047,42 8.218,43 23.529,44 6.121,45 13.939,46 20.74,47 11.31,48 19.368,49 28.213,50 12.589,51 2.155,52 7.219,53 17.998,54 21.083,55 16.637,56 25.494,57 4.756,58 15.276,59 1,60 19.691,61 9,62 56.22,63 1.624,64 6.135,65 20.28,66 32.883,67 0.996,68 5.744,69 21.756,70 20.424,71 0.035,72 7.646,73 5.677,74 1.742,75 21.575,76 8.822,77 9.954,78 70.535,79 4.365,80 4.69,81 5.48,82 19.993,83 5.517,84 0.852,85 20.592,86 18.302,87 9,88 15.542,89 28.548,90 6.53,91 48.899,92 4.361,93 0.188,94 6,95 0.41,96 30.713,97 17.21,98 16.921,99 2.577,100 4.542,101 6.226,102 17.9,103 13.812,104 12.821,105 1.262,106 15.837,107 9.011,108 13.192,109 12.064,110 12.064,111 12.262,112 26.39,113 24.243,114 11.525,115 14.521,116 14.187,117 7.377,118 10.157,119 22.109,120 13.654,121 2.418,122 2.638,123 1.676,124 2.117,125 14.789,126 4.62,127 0.268,128 63.531,129 17.768,130 12.195,131 4.61,132 2.151,133 4.557,134 4.314,135 5.47,136 11.836,137 0.082,138 11.102,139 9.006,140 1.444,141 38,142 5.614,143 5.294,144 1.587,145 5.989,146 1.067,147 27.09,148 184.768,149 4.083,150 5.675,151 1,152 6.6,153 4.658,154 6.279,155 40,156 1.1,157 11.433,158 4.567,159 5.697,160 1.488,161 6.503,162 11.203,163 7.55,164 0.792,165 4.89,166 5.412,167 1.592,168 7.167,169 2.198,170 0.054,171 7.91,172 60.514,173 5.368,174 10.213,175 12.236,176 7.498,177 5.437,178 3.938,179 3.932,180 1,181 7,182 14,183 1.224,184 6.18,185 15,186 0.662,187 4.032,188 294.278,189 294.278,190 294.278,191 3,192 12.498,193 7.415,194 2,195 4.8,196 6.389,197 4.078,198 9,199 294.278,200 9.922,201 9.847,202 7.699,203 2.941,204 9.711,205 0.258,206 9.557,207 3.093,208 3.093,209 0.519,210 69,211 6.673,212 4.165,213 294.278,214 10}
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{0 CHEMBL316961,3 11.858,4 11.858,5 11.858,6 19.472,7 7.119,8 7.119,9 4.461,10 4.461,11 6.461,12 5.161,13 3.161,14 3.161,15 4.257,16 4.257,17 3.336,18 3.336,19 5.336,20 3.336,24 27.872,25 3.895,26 3.895,27 3.895,28 30.339,29 37.709,30 35.252,31 1.456,32 25.44,33 22.96,34 6.895,35 32.789,36 2.128,37 4.474,38 4.474,39 12.074,40 1.978,41 2.01,42 6.921,43 20.569,44 5.474,45 12.135,46 17.654,47 9.993,48 16.544,49 17.885,50 10.964,51 2.129,52 6.972,53 15.416,54 18.683,55 14.325,56 16.127,57 4.033,58 13.187,60 17.501,61 4,62 33.356,63 13.417,64 5.311,65 12.5,66 30.127,67 0.62,68 5.268,69 15.048,70 15.565,71 20.124,72 6.255,73 5.229,74 18.783,75 13.566,76 7.937,77 8.734,78 58.998,79 4.247,80 4.225,81 4.992,82 18.566,83 5.039,84 0.558,85 18.047,86 16.312,87 2,88 13.948,89 26.256,90 2.896,91 26.642,92 4.019,93 9.389,94 1,95 0.436,96 28.19,97 11.364,98 15.142,99 2.089,100 4.228,101 5.129,102 16.663,103 12.904,104 11.59,105 0.865,106 14.774,107 8.021,108 12.215,109 11.681,110 11.681,111 11.101,112 24.326,113 22.4,114 10.505,115 10.631,116 12.803,117 6.463,118 9.229,119 20.479,120 12.732,121 2.324,122 2.14,123 16.1,124 5.335,125 13.108,126 4.176,127 6.693,128 52.345,129 15.76,130 11.305,131 4.144,132 2.125,133 4.093,134 3.971,135 5.058,136 11.063,137 14.758,138 10.466,139 8.288,140 1.053,141 22,142 5.406,143 4.846,144 8.059,145 4.796,146 1.01,147 20.748,148 68.423,149 3.976,150 5.389,152 6.042,153 4.323,154 4.868,155 23,156 1.097,157 8.591,158 4.364,159 4.663,160 1.44,161 4.905,162 10.405,163 6.836,164 0.16,165 4.589,166 4.615,167 10.734,168 3.333,169 1.804,170 17.441,172 33.777,173 5.134,174 9.497,175 9.466,176 7.119,177 5.144,178 3.841,181 4,182 6,183 1.202,184 5.667,185 14,186 0.218,187 1.507,188 247.193,189 247.193,190 247.193,192 9.618,193 6.815,195 4.45,196 5.938,197 3.977,199 292.073,200 9.267,201 7.78,202 3.995,203 2.948,204 5.685,205 0.242,206 7.401,207 3.268,208 3.268,210 55,211 4.92,212 4.06,213 247.193,214 5.461}
{0 CHEMBL31714,3 11.591,4 11.591,5 11.591,6 18.737,7 6.908,8 6.908,9 3.352,10 3.352,11 5.352,12 5.059,13 3.059,14 3.059,15 4.194,16 4.194,17 3.254,18 3.254,19 5.254,20 3.254,24 27.087,25 4.622,26 4.622,27 4.622,28 29.523,29 36.813,30 34.38,31 1.182,32 24.697,33 22.254,34 7.622,35 31.942,36 2.055,37 4.679,38 4.679,40 1.931,41 1.955,42 6.589,43 19.935,44 5.507,45 11.845,46 17.125,47 9.818,48 16.062,49 13.755,50 10.695,51 2.06,52 6.267,53 14.969,54 18.051,55 13.934,56 13.571,57 4.108,58 12.826,60 16.916,62 28.316,63 2.214,64 5.3,65 11.767,66 29.331,67 0.783,68 5.003,69 11.303,70 12.224,72 5.564,73 5.065,74 2.727,75 11.125,76 7.895,77 8.566,78 63.199,79 4.23,80 4.262,81 4.878,82 18.161,83 4.812,84 0.757,85 17.45,86 15.764,88 13.492,89 25.568,90 3.428,91 25.275,92 4.208,95 0.43,96 27.446,97 10.448,98 14.653,99 1.726,100 4.108,101 4.867,102 16.345,103 12.774,104 11.235,105 0.751,106 14.548,107 7.799,108 12.357,109 9.566,110 9.566,111 10.917,112 23.699,113 21.841,114 10.269,115 9.183,116 12.428,117 6.408,118 8.985,119 19.994,120 12.885,121 1.568,122 1.562,123 2.468,124 2.302,125 12.667,126 4.285,128 57.276,129 15.302,130 11.465,131 4.165,132 2.067,133 4.221,134 4.168,135 5.018,136 11.031,138 10.521,139 8.221,140 1.456,141 34,142 4.936,143 4.85,144 1.731,145 5.063,146 0.947,147 15.295,148 11,149 4.04,150 5.078,152 6.138,153 4.215,154 5.187,155 30,156 1.088,157 8.178,158 4.168,159 4.92,160 1.428,161 5.187,162 10.579,163 6.711,164 -0.799,165 4.654,166 4.89,167 1.968,168 3.333,169 1.744,171 7.627,172 24.596,173 4.711,174 9.688,175 11.071,176 7.272,177 4.85,178 3.954,179 3.045,181 6,182 2,183 1.137,184 5.61,185 13,186 0.273,187 1.925,188 247.193,189 247.193,190 247.193,192 11.42,193 6.94,195 4.655,196 6.133,197 4.066,199 262.153,200 9.327,201 9.155,202 5.031,203 2.774,204 6.862,205 0.254,206 8.934,207 3.013,208 3.013,209 0.133,210 62,211 5.298,212 4.141,213 254.929,214 5}
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{0 CHEMBL592907,3 15.193,4 15.193,5 15.193,6 23.187,7 7.972,8 7.972,9 3.957,10 3.957,11 5.957,12 5.614,13 3.614,14 3.614,15 4.622,16 4.622,17 3.626,18 3.626,19 5.626,20 3.626,24 29.935,25 4.11,26 4.11,27 4.11,28 32.655,29 40.813,30 38.093,31 1.481,32 27.222,33 24.5,34 7.11,35 35.373,36 2.141,37 4.741,38 4.741,39 1.404,40 2.006,41 2.03,42 7.835,43 21.807,44 5.741,45 12.993,46 19.311,47 10.538,48 18.038,49 27.346,50 11.716,51 2.128,52 6.382,53 16.764,54 19.369,55 15.502,56 24.707,57 4.144,58 14.231,60 18.096,61 4,62 44.747,63 2.279,64 5.658,65 17.136,66 31.184,67 1.005,68 5.63,69 21.544,70 19.674,71 2.538,72 9.444,73 5.508,74 2.854,75 18.89,76 8.203,77 9.224,78 74.474,79 4.732,80 4.508,81 5.27,82 18.911,83 5.372,84 0.869,85 19.075,86 16.821,87 2,88 14.288,89 27.064,90 3.404,91 38.846,92 4.177,93 1.074,94 4,95 0.454,96 29.122,97 14.774,98 15.559,99 2.166,100 4.415,101 6.653,102 16.909,103 12.989,104 11.776,105 1.106,106 14.932,107 8.187,108 12.192,109 9.606,110 9.606,111 11.32,112 25.011,113 22.966,114 10.605,115 15.88,116 13.052,117 6.736,118 9.288,119 20.931,120 12.707,121 2.308,122 2.347,123 2.558,124 2.293,125 13.659,126 4.404,127 0.801,128 64.879,129 16.456,130 11.279,131 4.372,132 2.119,133 4.284,134 4.081,135 5.369,136 11.092,137 1.768,138 10.365,139 8.278,140 1.082,141 18,142 5.613,143 5.129,144 1.818,145 4.875,146 1.069,147 28.299,148 185.539,149 4.001,150 5.639,151 1,152 6.113,153 4.572,154 4.956,155 19,156 1.14,157 10.77,158 4.549,159 4.682,160 1.431,161 4.997,162 10.373,163 6.804,164 -0.448,165 4.815,166 4.585,167 2.028,168 4.222,169 1.932,170 2.15,172 49.251,173 5.318,174 9.463,175 10.993,176 7.022,177 5.372,178 3.822,181 3,182 13,183 1.252,184 5.392,185 18,186 0.706,187 1.396,188 411.989,189 411.989,190 411.989,192 11.364,193 6.786,195 4.446,196 5.894,197 4.004,198 10,199 411.989,200 9.258,201 9.21,202 4.784,203 2.903,204 6.533,205 0.211,206 7.191,207 2.949,208 2.949,210 68,211 4.927,212 4.068,213 411.989,214 6.051}
{0 CHEMBL592908,3 15.193,4 15.193,5 15.193,6 23.187,7 7.972,8 7.972,9 3.957,10 3.957,11 5.957,12 5.614,13 3.614,14 3.614,15 4.622,16 4.622,17 3.626,18 3.626,19 5.626,20 3.626,21 55.673,22 1,23 1.946,24 29.934,25 4.11,26 4.11,27 4.11,28 32.654,29 40.813,30 38.093,31 1.477,32 27.221,33 24.499,34 7.11,35 35.372,36 2.137,37 4.742,38 4.742,39 1.404,40 2.005,41 2.029,42 7.522,43 21.807,44 5.742,45 13.028,46 19.32,47 10.594,48 18.05,49 25.176,50 11.761,51 2.125,52 6.327,53 16.78,54 19.377,55 15.523,56 22.894,57 4.318,58 14.257,60 18.106,61 4,62 42.095,63 2.279,64 5.66,65 16.017,66 31.184,67 0.992,68 5.511,69 19.792,70 18.475,71 2.538,72 8.604,73 5.452,74 2.854,75 17.646,76 8.281,77 9.297,78 68.643,79 4.592,80 4.446,81 5.21,82 18.928,83 5.267,84 0.825,85 19.075,86 16.835,87 4,88 14.312,89 27.066,90 3.415,91 35.262,92 4.132,93 1.074,94 4,95 0.438,96 29.123,97 13.836,98 15.578,99 2.046,100 4.361,101 6.162,102 16.933,103 13.032,104 11.817,105 1.034,106 14.965,107 8.241,108 12.263,109 9.361,110 9.361,111 11.348,112 25.015,113 22.973,114 10.655,115 14.49,116 13.084,117 6.85,118 9.355,119 20.943,120 12.776,121 2.174,122 2.175,123 2.558,124 2.293,125 13.67,126 4.348,127 0.801,128 60.112,129 16.461,130 11.347,131 4.316,132 2.116,133 4.235,134 4.043,135 5.264,136 11.145,137 1.768,138 10.426,139 8.346,140 1.073,141 21,142 5.482,143 5.042,144 1.818,145 4.934,146 1.015,147 26.455,148 138.455,149 4.004,150 5.572,151 1,152 6.194,153 4.514,154 5.024,155 23,156 1.067,157 9.973,158 4.483,159 4.718,160 1.462,161 5.056,162 10.439,163 6.909,164 -0.439,165 4.745,166 4.605,167 2.028,168 4.278,169 1.801,170 2.15,171 7.101,172 44.133,173 5.2,174 9.527,175 10.47,176 7.074,177 5.304,178 3.88,179 3.714,180 1,181 4,182 12,183 1.139,184 5.637,185 18,186 0.618,187 1.406,188 364.904,189 364.904,190 364.904,192 10.801,193 6.843,194 1,195 4.494,196 5.948,197 4.007,198 6,199 364.904,200 9.317,201 8.688,202 4.585,203 2.889,204 6.4,205 0.218,206 7.256,207 2.924,208 2.924,210 64,211 5.004,212 4.074,213 364.904,214 7.284}
{0 CHEMBL593214,1 110.215,2 1,3 18.82,4 18.82,5 18.82,6 28.819,7 8.919,8 8.919,9 4.284,10 4.284,11 6.284,12 5.979,13 3.979,14 3.979,15 5.048,16 5.048,17 4.07,18 4.07,19 6.07,20 4.07,21 40.667,22 1,23 1.946,24 32.292,25 4.427,26 4.427,27 4.427,28 35.225,29 44.025,30 41.091,31 1.604,32 29.366,33 26.433,34 7.427,35 38.157,36 2.157,37 5.121,38 5.121,39 0.125,40 2.023,41 2.047,42 8.333,43 23.528,44 6.121,45 13.941,46 20.74,47 11.315,48 19.369,49 29.577,50 12.592,51 2.155,52 7.219,53 17.999,54 21.08,55 16.638,56 27.751,57 4.766,58 15.278,59 1,60 19.687,61 9,62 57.716,63 1.624,64 6.134,65 20.425,66 32.881,67 0.996,68 5.783,69 23.3,70 19.687,71 0.035,72 8.87,73 5.729,74 1.742,75 21.316,76 8.831,77 9.961,78 74.062,79 4.615,80 4.696,81 5.518,82 19.979,83 5.544,84 0.853,85 20.59,86 18.296,87 9,88 15.532,89 28.544,90 6.381,91 45.342,92 4.353,93 0.188,94 6,95 0.41,96 30.71,97 17.153,98 16.914,99 2.714,100 4.538,101 6.826,102 17.881,103 13.783,104 12.803,105 1.219,106 15.813,107 8.989,108 13.171,109 12.064,110 12.064,111 12.244,112 26.385,113 24.236,114 11.504,115 16.325,116 14.174,117 7.387,118 10.13,119 22.099,120 13.632,121 2.46,122 2.719,123 1.676,124 2.117,125 14.781,126 4.606,127 0.268,128 65.767,129 17.762,130 12.172,131 4.61,132 2.151,133 4.542,134 4.303,135 5.499,136 11.802,137 0.082,138 11.072,139 8.976,140 1.444,141 38,142 5.646,143 5.311,144 1.587,145 5.976,146 1.1,147 27.344,148 184.768,149 4.083,150 5.686,151 1,152 6.61,153 4.662,154 6.271,155 39,156 1.136,157 12.116,158 4.563,159 5.684,160 1.525,161 6.492,162 11.178,163 7.513,164 0.753,165 4.922,166 5.394,167 1.592,168 6.722,169 2.317,170 0.054,171 7.91,172 60.276,173 5.394,174 10.186,175 12.379,176 7.467,177 5.444,178 3.951,179 3.932,180 1,181 7,182 15,183 1.225,184 6.143,185 14,186 0.673,187 3.761,188 341.362,189 341.362,190 341.362,191 3,192 12.643,193 7.381,194 2,195 4.807,196 6.354,197 4.078,198 9,199 341.362,200 9.885,201 10.044,202 7.468,203 2.941,204 9.104,205 0.227,206 9.485,207 3.092,208 3.092,209 0.519,210 72,211 6.655,212 4.166,213 341.362,214 5.104}
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{0 CHEMBL610036,1 254.774,2 2,3 18.855,4 18.855,5 18.855,6 28.88,7 8.923,8 8.923,9 4.318,10 4.318,11 6.318,12 5.991,13 3.991,14 3.991,15 5.059,16 5.059,17 4.081,18 4.081,19 6.081,20 4.081,21 46.388,22 1,23 1.946,24 32.316,25 4.64,26 4.64,27 4.64,28 35.25,29 44.054,30 41.118,31 1.58,32 29.391,33 26.459,34 7.64,35 38.183,36 2.146,37 5.146,38 5.146,39 2.049,40 2.029,41 2.05,42 8.337,43 23.559,44 6.146,45 14.026,46 20.802,47 11.421,48 19.432,49 32.602,50 12.682,51 2.146,52 7.224,53 18.066,54 21.14,55 16.709,56 30.192,57 4.92,58 15.353,59 1,60 19.75,61 7,62 61.479,63 3.011,64 6.153,65 22.384,66 32.904,67 1.075,68 5.88,69 24.28,70 21.624,71 3.418,72 9.307,73 5.833,74 3.718,75 23.583,76 8.97,77 10.069,78 87.557,79 4.771,80 4.856,81 5.625,82 20.048,83 5.646,84 0.94,85 20.625,86 18.362,87 7,88 15.609,89 28.575,90 7.163,91 47.614,92 4.533,93 1.611,94 5,95 0.409,96 30.736,97 18.26,98 16.985,99 3.183,100 4.734,101 7.335,102 17.966,103 13.909,104 12.898,105 1.156,106 15.917,107 9.099,108 13.402,109 12.097,110 12.097,111 12.354,112 26.423,113 24.281,114 11.618,115 17.454,116 14.261,117 7.518,118 10.249,119 22.155,120 13.861,121 3.025,122 3.199,123 3.355,124 2.408,125 14.842,126 4.763,127 1.201,128 78.072,129 17.815,130 12.4,131 4.781,132 2.144,133 4.714,134 4.499,135 5.599,136 11.953,137 2.502,138 11.261,139 9.129,140 2.043,141 49,142 5.791,143 5.423,144 2.401,145 6.323,146 1.102,147 29.795,148 178.764,149 4.16,150 5.811,151 1,152 6.792,153 4.834,154 6.667,155 49,156 1.134,157 13.356,158 4.773,159 5.971,160 1.51,161 6.932,162 11.404,163 7.66,164 3.621,165 5.068,166 5.652,167 2.69,168 7.167,169 2.723,170 2.959,171 8.267,172 64.626,173 5.544,174 10.411,175 14.887,176 7.689,177 5.585,178 3.958,179 4.111,180 1,181 9,182 13,183 1.194,184 6.482,185 15,186 0.824,187 4.601,188 329.591,189 329.591,190 329.591,191 3,192 15.15,193 7.579,194 2,195 5.026,196 6.575,197 4.152,198 7,199 329.591,200 10.062,201 12.077,202 8.547,203 3.133,204 10.513,205 0.229,206 10.987,207 3.19,208 3.19,209 0.529,210 86,211 7.179,212 4.236,213 329.591,214 7.834}
{0 CHEMBL610037,1 284.005,2 2,3 18.855,4 18.855,5 18.855,6 28.88,7 8.923,8 8.923,9 4.318,10 4.318,11 6.318,12 5.991,13 3.991,14 3.991,15 5.059,16 5.059,17 4.081,18 4.081,19 6.081,20 4.081,21 124.056,22 2,23 2.565,24 32.316,25 4.64,26 4.64,27 4.64,28 35.25,29 44.054,30 41.118,31 1.58,32 29.391,33 26.459,34 7.64,35 38.183,36 2.146,37 5.146,38 5.146,39 2.177,40 2.029,41 2.05,42 8.725,43 23.559,44 6.146,45 14.037,46 20.804,47 11.444,48 19.435,49 35.033,50 12.697,51 2.146,52 7.224,53 18.069,54 21.142,55 16.715,56 32.542,57 4.971,58 15.361,59 1,60 19.752,61 9,62 67.221,63 3.043,64 6.153,65 23.399,66 32.905,67 1.076,68 5.945,69 28.289,70 24.381,71 3.586,72 11.242,73 5.907,74 3.791,75 25.04,76 9.009,77 10.097,78 97.593,79 5.005,80 4.915,81 5.689,82 20.056,83 5.714,84 1.049,85 20.627,86 18.365,87 9,88 15.616,89 28.577,90 7.475,91 54.837,92 4.623,93 1.717,94 7,95 0.409,96 30.737,97 20.37,98 16.99,99 3.44,100 4.821,101 8.447,102 17.978,103 13.929,104 12.911,105 1.227,106 15.932,107 9.123,108 13.43,109 12.097,110 12.097,111 12.368,112 26.425,113 24.285,114 11.638,115 20.576,116 14.272,117 7.559,118 10.271,119 22.161,120 13.892,121 3.458,122 3.485,123 3.406,124 2.42,125 14.849,126 4.831,127 1.268,128 86.396,129 17.819,130 12.432,131 4.836,132 2.144,133 4.765,134 4.569,135 5.714,136 11.978,137 2.643,138 11.296,139 9.164,140 2.11,141 52,142 5.935,143 5.516,144 2.413,145 6.353,146 1.102,147 34.277,148 147.852,149 4.161,150 5.936,151 1,152 6.847,153 4.92,154 6.696,155 52,156 1.152,157 15.13,158 4.911,159 5.999,160 1.505,161 6.965,162 11.44,163 7.692,164 1.98,165 5.179,166 5.677,167 2.708,168 7,169 2.986,170 3.114,171 8.535,172 69.363,173 5.69,174 10.452,175 16.761,176 7.744,177 5.702,178 3.991,179 4.615,180 2,181 10,182 17,183 1.196,184 6.482,185 16,186 0.825,187 4.444,188 423.76,189 423.76,190 423.76,191 3,192 17.06,193 7.615,194 3,195 5.091,196 6.624,197 4.153,198 8,199 423.76,200 10.093,201 13.62,202 9.043,203 3.133,204 11.354,205 0.213,206 11.117,207 3.191,208 3.191,209 0.486,210 96,211 7.213,212 4.237,213 423.76,214 7.751}
{0 CHEMBL610038,1 283.376,2 2,3 18.855,4 18.855,5 18.855,6 28.88,7 8.923,8 8.923,9 4.318,10 4.318,11 6.318,12 5.991,13 3.991,14 3.991,15 5.059,16 5.059,17 4.081,18 4.081,19 6.081,20 4.081,21 50.147,22 1,23 1.946,24 32.316,25 4.64,26 4.64,27 4.64,28 35.25,29 44.054,30 41.118,31 1.58,32 29.391,33 26.459,34 7.64,35 38.183,36 2.147,37 5.146,38 5.146,39 1.992,40 2.03,41 2.051,42 8.478,43 23.559,44 6.146,45 14.029,46 20.803,47 11.427,48 19.433,49 36.17,50 12.685,51 2.146,52 7.224,53 18.067,54 21.14,55 16.711,56 33.441,57 4.928,58 15.355,59 1,60 19.749,61 8,62 67.05,63 2.923,64 6.153,65 24.033,66 32.904,67 1.091,68 5.968,69 27.623,70 23.309,71 3.247,72 10.674,73 5.909,74 3.592,75 25.579,76 8.981,77 10.075,78 95.676,79 4.932,80 4.919,81 5.692,82 20.048,83 5.723,84 0.987,85 20.625,86 18.361,87 7,88 15.608,89 28.575,90 7.435,91 53.092,92 4.598,93 1.589,94 6,95 0.412,96 30.736,97 19.951,98 16.984,99 3.399,100 4.781,101 7.967,102 17.966,103 13.911,104 12.897,105 1.201,106 15.918,107 9.099,108 13.401,109 12.097,110 12.097,111 12.353,112 26.422,113 24.281,114 11.618,115 19.893,116 14.261,117 7.526,118 10.248,119 22.155,120 13.862,121 3.188,122 3.391,123 3.249,124 2.391,125 14.841,126 4.829,127 1.201,128 84.614,129 17.815,130 12.401,131 4.829,132 2.144,133 4.763,134 4.551,135 5.685,136 11.956,137 2.405,138 11.266,139 9.133,140 2.056,141 49,142 5.856,143 5.495,144 2.35,145 6.317,146 1.111,147 32.887,148 159.623,149 4.163,150 5.881,151 1,152 6.812,153 4.895,154 6.661,155 49,156 1.153,157 14.639,158 4.829,159 5.974,160 1.504,161 6.926,162 11.407,163 7.66,164 4.381,165 5.146,166 5.656,167 2.619,168 7.389,169 2.943,170 2.824,171 8.267,172 70.827,173 5.605,174 10.416,175 15.876,176 7.708,177 5.645,178 3.972,179 4.111,180 1,181 9,182 15,183 1.272,184 6.482,185 18,186 0.825,187 4.521,188 376.675,189 376.675,190 376.675,191 3,192 16.174,193 7.586,194 2,195 5.055,196 6.592,197 4.156,198 9,199 376.675,200 10.068,201 12.903,202 8.896,203 3.136,204 11.073,205 0.22,206 11.054,207 3.189,208 3.189,209 0.529,210 93,211 7.164,212 4.238,213 376.675,214 8.109}
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{0 CHEMBL610041,1 283.376,2 2,3 18.855,4 18.855,5 18.855,6 28.88,7 8.923,8 8.923,9 4.318,10 4.318,11 6.318,12 5.991,13 3.991,14 3.991,15 5.059,16 5.059,17 4.081,18 4.081,19 6.081,20 4.081,21 50.147,22 1,23 1.946,24 32.316,25 4.64,26 4.64,27 4.64,28 35.25,29 44.054,30 41.118,31 1.58,32 29.391,33 26.459,34 7.64,35 38.183,36 2.147,37 5.146,38 5.146,39 1.992,40 2.03,41 2.051,42 8.478,43 23.559,44 6.146,45 14.025,46 20.802,47 11.42,48 19.433,49 35.385,50 12.68,51 2.146,52 7.224,53 18.066,54 21.14,55 16.709,56 32.282,57 4.906,58 15.353,59 1,60 19.749,61 8,62 66.094,63 2.923,64 6.153,65 23.975,66 32.904,67 1.091,68 5.946,69 26.995,70 23.796,71 3.247,72 10.23,73 5.878,74 3.592,75 25.653,76 8.971,77 10.066,78 93.122,79 4.842,80 4.911,81 5.668,82 20.048,83 5.705,84 0.987,85 20.625,86 18.361,87 7,88 15.608,89 28.575,90 7.554,91 53.32,92 4.602,93 1.589,94 6,95 0.412,96 30.736,97 20.124,98 16.984,99 3.31,100 4.777,101 7.857,102 17.966,103 13.911,104 12.897,105 1.224,106 15.918,107 9.099,108 13.401,109 12.097,110 12.097,111 12.353,112 26.422,113 24.281,114 11.618,115 19.14,116 14.261,117 7.511,118 10.248,119 22.155,120 13.862,121 3.153,122 3.36,123 3.249,124 2.391,125 14.841,126 4.83,127 1.201,128 82.836,129 17.815,130 12.401,131 4.822,132 2.144,133 4.761,134 4.552,135 5.666,136 11.956,137 2.405,138 11.266,139 9.133,140 2.052,141 49,142 5.829,143 5.481,144 2.35,145 6.317,146 1.111,147 32.751,148 159.623,149 4.163,150 5.873,151 1,152 6.798,153 4.89,154 6.661,155 49,156 1.151,157 14.419,158 4.829,159 5.974,160 1.491,161 6.926,162 11.407,163 7.66,164 2.772,165 5.131,166 5.656,167 2.619,168 7.389,169 2.839,170 2.824,171 8.267,172 69.602,173 5.584,174 10.416,175 15.786,176 7.708,177 5.639,178 3.96,179 4.111,180 1,181 9,182 15,183 1.272,184 6.482,185 20,186 0.825,187 4.521,188 376.675,189 376.675,190 376.675,191 3,192 16.114,193 7.586,194 2,195 5.043,196 6.592,197 4.156,198 9,199 376.675,200 10.068,201 12.8,202 8.989,203 3.136,204 11.258,205 0.229,206 11.054,207 3.189,208 3.189,209 0.529,210 91,211 7.164,212 4.237,213 376.675,214 8.111}
{0 CHEMBL610042,1 270.329,2 2,3 18.855,4 18.855,5 18.855,6 28.88,7 8.923,8 8.923,9 4.318,10 4.318,11 6.318,12 5.991,13 3.991,14 3.991,15 5.059,16 5.059,17 4.081,18 4.081,19 6.081,20 4.081,21 48.392,22 1,23 1.946,24 32.316,25 4.64,26 4.64,27 4.64,28 35.25,29 44.054,30 41.118,31 1.58,32 29.391,33 26.459,34 7.64,35 38.183,36 2.147,37 5.146,38 5.146,39 1.992,40 2.03,41 2.051,42 8.725,43 23.558,44 6.146,45 14.024,46 20.802,47 11.418,48 19.432,49 35.436,50 12.679,51 2.146,52 7.224,53 18.065,54 21.139,55 16.709,56 32.533,57 4.888,58 15.352,59 1,60 19.748,61 8,62 65.131,63 2.923,64 6.153,65 23.603,66 32.904,67 1.091,68 5.947,69 27.304,70 23.364,71 3.247,72 10.564,73 5.879,74 3.592,75 25.266,76 8.966,77 10.063,78 93.178,79 4.923,80 4.9,81 5.665,82 20.044,83 5.704,84 0.987,85 20.625,86 18.36,87 7,88 15.605,89 28.574,90 7.357,91 52.192,92 4.584,93 1.589,94 6,95 0.412,96 30.736,97 19.853,98 16.982,99 3.323,100 4.77,101 7.958,102 17.96,103 13.898,104 12.891,105 1.197,106 15.909,107 9.087,108 13.391,109 12.097,110 12.097,111 12.346,112 26.421,113 24.28,114 11.609,115 19.537,116 14.256,117 7.503,118 10.235,119 22.152,120 13.851,121 3.166,122 3.361,123 3.249,124 2.391,125 14.839,126 4.811,127 1.201,128 82.512,129 17.813,130 12.389,131 4.812,132 2.144,133 4.743,134 4.534,135 5.667,136 11.939,137 2.405,138 11.249,139 9.117,140 2.051,141 49,142 5.83,143 5.476,144 2.35,145 6.314,146 1.111,147 32.785,148 159.623,149 4.163,150 5.874,151 1,152 6.789,153 4.883,154 6.655,155 48,156 1.151,157 14.456,158 4.82,159 5.964,160 1.504,161 6.924,162 11.393,163 7.636,164 2.775,165 5.127,166 5.642,167 2.619,168 6.944,169 2.863,170 2.824,171 8.267,172 69.362,173 5.582,174 10.401,175 15.692,176 7.685,177 5.636,178 3.961,179 4.111,180 1,181 9,182 15,183 1.272,184 6.482,185 19,186 0.825,187 4.329,188 388.446,189 388.446,190 388.446,191 3,192 15.985,193 7.565,194 2,195 5.032,196 6.567,197 4.156,198 9,199 388.446,200 10.046,201 12.752,202 8.856,203 3.136,204 10.936,205 0.217,206 10.987,207 3.189,208 3.189,209 0.529,210 91,211 7.162,212 4.237,213 388.446,214 8.451}
{0 CHEMBL610043,1 242.469,2 2,3 18.855,4 18.855,5 18.855,6 28.88,7 8.923,8 8.923,9 4.318,10 4.318,11 6.318,12 5.991,13 3.991,14 3.991,15 5.059,16 5.059,17 4.081,18 4.081,19 6.081,20 4.081,21 44.708,22 1,23 1.946,24 32.316,25 4.64,26 4.64,27 4.64,28 35.25,29 44.054,30 41.118,31 1.58,32 29.391,33 26.459,34 7.64,35 38.183,36 2.146,37 5.146,38 5.146,39 2.049,40 2.029,41 2.05,42 8.725,43 23.559,44 6.146,45 14.022,46 20.801,47 11.414,48 19.432,49 32.306,50 12.677,51 2.146,52 7.224,53 18.064,54 21.14,55 16.708,56 30.005,57 4.884,58 15.351,59 1,60 19.749,61 7,62 60.682,63 3.011,64 6.153,65 22.127,66 32.904,67 1.075,68 5.868,69 24.495,70 21.635,71 3.418,72 9.421,73 5.817,74 3.718,75 23.412,76 8.956,77 10.059,78 86.348,79 4.79,80 4.847,81 5.607,82 20.044,83 5.635,84 0.94,85 20.625,86 18.361,87 7,88 15.606,89 28.575,90 7.112,91 47.481,92 4.527,93 1.611,94 5,95 0.409,96 30.736,97 18.141,98 16.983,99 3.152,100 4.727,101 7.25,102 17.96,103 13.897,104 12.892,105 1.155,106 15.908,107 9.087,108 13.392,109 12.097,110 12.097,111 12.347,112 26.422,113 24.28,114 11.609,115 17.579,116 14.257,117 7.497,118 10.236,119 22.153,120 13.85,121 3.022,122 3.183,123 3.355,124 2.408,125 14.839,126 4.755,127 1.201,128 76.745,129 17.814,130 12.388,131 4.769,132 2.144,133 4.698,134 4.486,135 5.59,136 11.936,137 2.502,138 11.244,139 9.113,140 2.032,141 49,142 5.777,143 5.408,144 2.401,145 6.319,146 1.102,147 29.937,148 136.081,149 4.16,150 5.807,151 1,152 6.771,153 4.828,154 6.662,155 48,156 1.14,157 13.253,158 4.769,159 5.961,160 1.513,161 6.93,162 11.391,163 7.636,164 2.828,165 5.057,166 5.638,167 2.69,168 6.722,169 2.699,170 2.959,171 8.267,172 63.995,173 5.531,174 10.395,175 14.761,176 7.666,177 5.577,178 3.958,179 4.111,180 1,181 9,182 13,183 1.194,184 6.482,185 16,186 0.824,187 4.409,188 341.362,189 341.362,190 341.362,191 3,192 15.031,193 7.557,194 2,195 5.004,196 6.55,197 4.152,198 7,199 341.362,200 10.04,201 11.989,202 8.529,203 3.133,204 10.42,205 0.224,206 10.916,207 3.19,208 3.19,209 0.529,210 85,211 7.175,212 4.236,213 341.362,214 7.98}
{0 CHEMBL610044,1 254.774,2 2,3 18.855,4 18.855,5 18.855,6 28.88,7 8.923,8 8.923,9 4.318,10 4.318,11 6.318,12 5.991,13 3.991,14 3.991,15 5.059,16 5.059,17 4.081,18 4.081,19 6.081,20 4.081,21 46.388,22 1,23 1.946,24 32.316,25 4.64,26 4.64,27 4.64,28 35.25,29 44.054,30 41.118,31 1.58,32 29.391,33 26.459,34 7.64,35 38.183,36 2.146,37 5.146,38 5.146,39 2.049,40 2.029,41 2.05,42 8.337,43 23.559,44 6.146,45 14.027,46 20.802,47 11.422,48 19.433,49 33.085,50 12.683,51 2.146,52 7.224,53 18.066,54 21.14,55 16.71,56 30.932,57 4.924,58 15.354,59 1,60 19.75,61 7,62 62.629,63 3.011,64 6.153,65 22.565,66 32.904,67 1.075,68 5.891,69 24.816,70 21.582,71 3.418,72 9.533,73 5.849,74 3.718,75 23.749,76 8.972,77 10.071,78 88.846,79 4.802,80 4.867,81 5.636,82 20.048,83 5.655,84 0.94,85 20.625,86 18.362,87 7,88 15.609,89 28.575,90 7.191,91 48.336,92 4.542,93 1.611,94 5,95 0.409,96 30.736,97 18.251,98 16.985,99 3.231,100 4.738,101 7.267,102 17.966,103 13.909,104 12.898,105 1.159,106 15.917,107 9.099,108 13.402,109 12.097,110 12.097,111 12.354,112 26.423,113 24.281,114 11.618,115 17.951,116 14.261,117 7.521,118 10.249,119 22.155,120 13.861,121 3.045,122 3.216,123 3.355,124 2.408,125 14.842,126 4.774,127 1.201,128 78.847,129 17.815,130 12.4,131 4.787,132 2.144,133 4.719,134 4.504,135 5.61,136 11.953,137 2.502,138 11.261,139 9.129,140 2.049,141 49,142 5.805,143 5.429,144 2.401,145 6.323,146 1.102,147 30.047,148 136.081,149 4.16,150 5.815,151 1,152 6.795,153 4.841,154 6.667,155 49,156 1.142,157 13.451,158 4.778,159 5.971,160 1.512,161 6.932,162 11.404,163 7.66,164 4.452,165 5.077,166 5.652,167 2.69,168 7.167,169 2.782,170 2.959,171 8.267,172 65.506,173 5.554,174 10.411,175 14.945,176 7.689,177 5.586,178 3.969,179 4.111,180 1,181 9,182 13,183 1.195,184 6.482,185 15,186 0.824,187 4.601,188 329.591,189 329.591,190 329.591,191 3,192 15.221,193 7.579,194 2,195 5.028,196 6.575,197 4.152,198 7,199 329.591,200 10.062,201 12.141,202 8.568,203 3.133,204 10.556,205 0.227,206 10.987,207 3.19,208 3.19,209 0.529,210 87,211 7.179,212 4.236,213 329.591,214 8.103}
{0 CHEMBL610045,1 254.774,2 2,3 18.855,4 18.855,5 18.855,6 28.88,7 8.923,8 8.923,9 4.318,10 4.318,11 6.318,12 5.991,13 3.991,14 3.991,15 5.059,16 5.059,17 4.081,18 4.081,19 6.081,20 4.081,21 46.388,22 1,23 1.946,24 32.316,25 4.64,26 4.64,27 4.64,28 35.25,29 44.054,30 41.118,31 1.58,32 29.391,33 26.459,34 7.64,35 38.183,36 2.146,37 5.146,38 5.146,39 2.049,40 2.029,41 2.05,42 8.337,43 23.559,44 6.146,45 14.023,46 20.802,47 11.416,48 19.432,49 32.175,50 12.678,51 2.146,52 7.224,53 18.065,54 21.14,55 16.708,56 29.71,57 4.902,58 15.352,59 1,60 19.75,61 7,62 61.474,63 3.011,64 6.153,65 22.494,66 32.904,67 1.075,68 5.868,69 24.096,70 22.039,71 3.418,72 9.07,73 5.817,74 3.718,75 23.759,76 8.961,77 10.063,78 86.292,79 4.705,80 4.859,81 5.611,82 20.048,83 5.636,84 0.94,85 20.625,86 18.362,87 7,88 15.609,89 28.575,90 7.31,91 48.24,92 4.546,93 1.611,94 5,95 0.409,96 30.736,97 18.37,98 16.985,99 3.139,100 4.734,101 7.14,102 17.966,103 13.909,104 12.898,105 1.184,106 15.917,107 9.099,108 13.402,109 12.097,110 12.097,111 12.354,112 26.423,113 24.281,114 11.618,115 17.143,116 14.261,117 7.506,118 10.249,119 22.155,120 13.861,121 3.009,122 3.181,123 3.355,124 2.408,125 14.842,126 4.775,127 1.201,128 77.069,129 17.815,130 12.4,131 4.78,132 2.144,133 4.717,134 4.505,135 5.589,136 11.953,137 2.502,138 11.261,139 9.129,140 2.034,141 49,142 5.777,143 5.414,144 2.401,145 6.323,146 1.102,147 29.806,148 136.081,149 4.16,150 5.807,151 1,152 6.78,153 4.835,154 6.667,155 49,156 1.14,157 13.188,158 4.779,159 5.971,160 1.499,161 6.932,162 11.404,163 7.66,164 2.824,165 5.061,166 5.652,167 2.69,168 7.167,169 2.674,170 2.959,171 8.267,172 63.775,173 5.532,174 10.411,175 14.855,176 7.689,177 5.58,178 3.958,179 4.111,180 1,181 9,182 13,183 1.194,184 6.482,185 17,186 0.824,187 4.601,188 329.591,189 329.591,190 329.591,191 3,192 15.161,193 7.579,194 2,195 5.015,196 6.575,197 4.152,198 7,199 329.591,200 10.062,201 12.037,202 8.661,203 3.133,204 10.742,205 0.237,206 10.987,207 3.19,208 3.19,209 0.529,210 85,211 7.179,212 4.236,213 329.591,214 7.526}
{0 CHEMBL610046,1 100.324,2 1,3 18.845,4 18.845,5 18.845,6 28.868,7 8.922,8 8.922,9 4.356,10 4.356,11 6.356,12 5.992,13 3.992,14 3.992,15 5.056,16 5.056,17 4.077,18 4.077,19 6.077,20 4.077,21 36.592,22 1,23 1.946,24 32.306,25 4.435,26 4.435,27 4.435,28 35.241,29 44.045,30 41.11,31 1.592,32 29.379,33 26.445,34 7.435,35 38.174,36 2.157,37 5.132,38 5.132,39 7.338,40 2.029,41 2.051,42 8.724,43 23.539,44 6.132,45 13.968,46 20.787,47 11.329,48 19.412,49 28.173,50 12.612,51 2.155,52 7.221,53 18.038,54 21.104,55 16.674,56 26.41,57 4.725,58 15.309,59 1,60 19.708,61 8,62 53.494,63 8.253,64 6.137,65 20.084,66 32.887,67 0.982,68 5.715,69 22.157,70 19.735,71 12.313,72 8.206,73 5.656,74 11.51,75 21.09,76 8.828,77 9.967,78 68.149,79 4.545,80 4.662,81 5.453,82 19.979,83 5.49,84 0.825,85 20.599,86 18.315,87 7,88 15.544,89 28.549,90 6.266,91 42.298,92 4.312,93 5.641,94 6,95 0.408,96 30.715,97 16.766,98 16.929,99 2.527,100 4.526,101 6.472,102 17.878,103 13.769,104 12.806,105 1.185,106 15.805,107 8.974,108 13.183,109 12.08,110 12.08,111 12.243,112 26.389,113 24.239,114 11.5,115 15.185,116 14.182,117 7.373,118 10.12,119 22.101,120 13.64,121 2.371,122 2.574,123 9.877,124 3.914,125 14.783,126 4.568,127 3.895,128 60.781,129 17.771,130 12.177,131 4.58,132 2.152,133 4.503,134 4.261,135 5.433,136 11.781,137 9.007,138 11.056,139 8.956,140 1.444,141 38,142 5.564,143 5.253,144 5.083,145 6.004,146 1.057,147 26.636,148 161.226,149 4.088,150 5.651,151 1,152 6.587,153 4.638,154 6.304,155 38,156 1.101,157 11.584,158 4.538,159 5.697,160 1.533,161 6.526,162 11.176,163 7.485,164 0.115,165 4.851,166 5.398,167 6.647,168 5.833,169 2.147,170 10.664,171 7.91,172 56.607,173 5.319,174 10.176,175 11.756,176 7.426,177 5.417,178 3.941,179 3.932,180 2,181 7,182 14,183 1.277,184 6.263,185 17,186 0.661,187 3.881,188 317.82,189 317.82,190 317.82,191 3,192 11.967,193 7.352,194 3,195 4.767,196 6.312,197 4.083,198 7,199 317.82,200 9.856,201 9.496,202 7.351,203 2.947,204 8.768,205 0.223,206 9.378,207 3.09,208 3.09,209 0.519,210 67,211 6.688,212 4.169,213 317.82,214 8.854}
{0 CHEMBL610261,1 101.281,2 1,3 18.852,4 18.852,5 18.852,6 28.876,7 8.923,8 8.923,9 4.316,10 4.316,11 6.316,12 5.988,13 3.988,14 3.988,15 5.056,16 5.056,17 4.078,18 4.078,19 6.078,20 4.078,21 36.9,22 1,23 1.946,24 32.311,25 4.455,26 4.455,27 4.455,28 35.246,29 44.051,30 41.115,31 1.581,32 29.385,33 26.451,34 7.455,35 38.179,36 2.16,37 5.138,38 5.138,39 0.125,40 2.047,41 2.069,42 8.337,43 23.547,44 6.138,45 13.977,46 20.776,47 11.353,48 19.404,49 27.47,50 12.627,51 2.163,52 7.224,53 18.034,54 21.115,55 16.673,56 25.225,57 4.782,58 15.312,59 1,60 19.722,61 7,62 50.971,63 2.225,64 6.142,65 19.749,66 32.893,67 0.971,68 5.699,69 20.757,70 19.266,71 0.035,72 7.527,73 5.63,74 2.73,75 21.008,76 8.872,77 9.995,78 68.966,79 4.452,80 4.716,81 5.437,82 20.009,83 5.475,84 0.831,85 20.609,86 18.331,87 7,88 15.568,89 28.559,90 6.505,91 40.375,92 4.38,93 0.188,94 5,95 0.404,96 30.723,97 16.259,98 16.949,99 2.587,100 4.577,101 6.079,102 17.918,103 13.832,104 12.843,105 1.141,106 15.856,107 9.033,108 13.281,109 12.095,110 12.095,111 12.292,112 26.403,113 24.257,114 11.549,115 13.992,116 14.212,117 7.416,118 10.174,119 22.124,120 13.739,121 2.424,122 2.674,123 2.473,124 2.302,125 14.809,126 4.632,127 0.268,128 61.996,129 17.789,130 12.277,131 4.637,132 2.162,133 4.572,134 4.336,135 5.408,136 11.857,137 0.082,138 11.158,139 9.03,140 1.566,141 44,142 5.509,143 5.243,144 1.778,145 6.17,146 1.064,147 25.744,148 136.081,149 4.109,150 5.603,151 1,152 6.652,153 4.686,154 6.497,155 43,156 1.101,157 11,158 4.585,159 5.841,160 1.511,161 6.766,162 11.277,163 7.561,164 0.105,165 4.866,166 5.521,167 1.991,168 6.722,169 2.154,170 0.054,171 7.91,172 54.187,173 5.273,174 10.279,175 12.369,176 7.535,177 5.372,178 3.947,179 3.932,180 1,181 8,182 12,183 1.196,184 6.355,185 19,186 0.632,187 4.046,188 294.278,189 294.278,190 294.278,191 4,192 12.633,193 7.449,194 2,195 4.847,196 6.418,197 4.103,198 7,199 294.278,200 9.946,201 9.981,202 7.651,203 2.962,204 9.364,205 0.239,206 10.118,207 3.091,208 3.091,209 0.516,210 69,211 6.984,212 4.183,213 282.506,214 7.292}
{0 CHEMBL610284,1 114.508,2 1,3 19.192,4 19.192,5 19.192,6 29.239,7 8.974,8 8.974,9 4.333,10 4.333,11 6.333,12 6.025,13 4.025,14 4.025,15 5.074,16 5.074,17 4.089,18 4.089,19 6.089,20 4.089,21 41.011,22 1,23 1.946,24 32.507,25 4.438,26 4.438,27 4.438,28 35.46,29 44.319,30 41.365,31 1.602,32 29.562,33 26.609,34 7.438,35 38.412,36 2.157,37 5.142,38 5.142,39 7.338,40 2.028,41 2.053,42 8.388,43 23.682,44 6.142,45 14.035,46 20.905,47 11.375,48 19.52,49 29.11,50 12.669,51 2.159,52 7.3,53 18.137,54 21.149,55 16.762,56 25.883,57 4.766,58 15.387,59 1,60 19.75,61 8,62 53.137,63 8.253,64 6.155,65 19.784,66 32.973,67 0.997,68 5.767,69 21.676,70 20.948,71 12.313,72 8.038,73 5.665,74 11.51,75 22.038,76 8.862,77 10.006,78 72.591,79 4.489,80 4.723,81 5.463,82 20.019,83 5.545,84 0.825,85 20.726,86 18.353,87 8,88 15.575,89 28.621,90 6.473,91 43.67,92 4.369,93 5.641,94 6,95 0.415,96 30.795,97 16.676,98 16.964,99 2.681,100 4.621,101 6.432,102 17.911,103 13.796,104 12.831,105 1.171,106 15.834,107 9.023,108 13.21,109 12.438,110 12.438,111 12.293,112 26.454,113 24.296,114 11.524,115 14.908,116 14.209,117 7.404,118 10.141,119 22.149,120 13.669,121 2.588,122 2.816,123 9.877,124 3.914,125 14.87,126 4.618,127 3.895,128 65.207,129 17.87,130 12.208,131 4.644,132 2.157,133 4.553,134 4.32,135 5.462,136 11.81,137 9.007,138 11.09,139 8.986,140 1.764,141 38,142 5.626,143 5.28,144 5.101,145 6.006,146 1.097,147 27.28,148 186.371,149 4.088,150 5.72,151 1,152 6.631,153 4.721,154 6.284,155 39,156 1.101,157 11.561,158 4.617,159 5.724,160 1.504,161 6.486,162 11.211,163 7.513,164 0.121,165 4.898,166 5.447,167 6.651,168 6.5,169 2.259,170 10.664,171 7.91,172 58.388,173 5.383,174 10.216,175 12.612,176 7.489,177 5.497,178 3.944,179 3.932,180 1,181 7,182 13,183 1.142,184 6.03,185 17,186 0.634,187 4.041,188 317.82,189 317.82,190 317.82,191 3,192 12.868,193 7.396,194 2,195 4.834,196 6.375,197 4.082,198 7,199 317.82,200 9.893,201 10.2,202 7.578,203 2.993,204 9.219,205 0.243,206 9.465,207 3.12,208 3.12,209 0.519,210 71,211 6.64,212 4.17,213 317.82,214 9.602}
{0 CHEMBL610290,1 91.676,2 1,3 19.014,4 19.014,5 19.014,6 29.108,7 8.951,8 8.951,9 4.355,10 4.355,11 6.355,12 6.022,13 4.022,14 4.022,15 5.089,16 5.089,17 4.11,18 4.11,19 6.11,20 4.11,21 35.724,22 1,23 1.946,24 32.438,25 4.44,26 4.44,27 4.44,28 35.374,29 44.189,30 41.249,31 1.593,32 29.513,33 26.583,34 7.44,35 38.309,36 2.148,37 5.156,38 5.156,39 0.125,40 2.02,41 2.042,42 8.633,43 23.686,44 6.156,45 14.138,46 20.95,47 11.495,48 19.576,49 27.075,50 12.787,51 2.147,52 7.689,53 18.204,54 21.285,55 16.841,56 24.107,57 4.846,58 15.479,59 1,60 19.89,61 9,62 52.15,63 4.025,64 6.186,65 19.199,66 33.015,67 0.995,68 5.69,69 20.098,70 19.753,71 0.035,72 7.558,73 5.624,74 5.325,75 20.641,76 8.97,77 10.138,78 65.943,79 4.444,80 4.642,81 5.443,82 20.15,83 5.479,84 0.833,85 20.757,86 18.499,87 9,88 15.735,89 28.692,90 6.483,91 42.196,92 4.285,93 0.188,94 6,95 0.398,96 30.851,97 15.973,98 17.116,99 2.458,100 4.54,101 6.262,102 18.052,103 13.935,104 13.004,105 1.188,106 15.978,107 9.177,108 13.346,109 14.108,110 14.108,111 12.426,112 26.54,113 24.398,114 11.694,115 14.032,116 14.375,117 7.527,118 10.316,119 22.266,120 13.797,121 2.352,122 2.532,123 4.671,124 2.783,125 14.974,126 4.53,127 0.268,128 59.225,129 17.943,130 12.33,131 4.59,132 2.145,133 4.5,134 4.267,135 5.421,136 11.935,137 0.082,138 11.168,139 9.13,140 1.428,141 43,142 5.555,143 5.257,144 2.812,145 6.192,146 1.03,147 26.129,148 181.623,149 4.088,150 5.651,151 1,152 6.679,153 4.638,154 6.524,155 43,156 1.099,157 11.23,158 4.546,159 5.855,160 1.538,161 6.768,162 11.318,163 7.664,164 0.146,165 4.867,166 5.529,167 3.398,168 6.5,169 2.086,170 0.054,171 8.272,172 55.293,173 5.312,174 10.306,175 11.69,176 7.506,177 5.429,178 3.929,179 4.111,180 1,181 8,182 14,183 1.179,184 6.452,185 10,186 0.624,187 4.197,188 294.278,189 294.278,190 294.278,191 3,192 11.85,193 7.478,194 2,195 4.807,196 6.402,197 4.08,198 7,199 294.278,200 9.992,201 9.377,202 7.542,203 3.345,204 8.893,205 0.233,206 9.848,207 3.442,208 3.442,209 0.552,210 66,211 6.964,212 4.173,213 294.278,214 8.284}
{0 CHEMBL610292,1 93.317,2 1,3 18.82,4 18.82,5 18.82,6 28.819,7 8.919,8 8.919,9 4.284,10 4.284,11 6.284,12 5.979,13 3.979,14 3.979,15 5.048,16 5.048,17 4.07,18 4.07,19 6.07,20 4.07,21 35.82,22 1,23 1.946,24 32.292,25 4.427,26 4.427,27 4.427,28 35.225,29 44.025,30 41.091,31 1.605,32 29.366,33 26.432,34 7.427,35 38.157,36 2.158,37 5.121,38 5.121,39 0.125,40 2.023,41 2.048,42 8.721,43 23.526,44 6.121,45 13.915,46 20.734,47 11.27,48 19.361,49 29.13,50 12.558,51 2.156,52 7.219,53 17.989,54 21.077,55 16.624,56 26.432,57 4.648,58 15.259,59 1,60 19.682,61 9,62 53.611,63 0.439,64 6.134,65 19.268,66 32.879,67 0.996,68 5.731,69 22.184,70 19.854,71 0.035,72 8.334,73 5.66,74 0.252,75 20.849,76 8.76,77 9.903,78 68.438,79 4.527,80 4.644,81 5.445,82 19.959,83 5.489,84 0.848,85 20.587,86 18.289,87 9,88 15.519,89 28.539,90 6.219,91 43.499,92 4.288,93 0.188,94 6,95 0.408,96 30.706,97 16.041,98 16.904,99 2.552,100 4.502,101 6.316,102 17.854,103 13.736,104 12.78,105 1.178,106 15.777,107 8.95,108 13.136,109 12.064,110 12.064,111 12.216,112 26.378,113 24.225,114 11.472,115 15.313,116 14.156,117 7.3,118 10.088,119 22.085,120 13.594,121 2.44,122 2.622,123 0.334,124 1.72,125 14.769,126 4.539,127 0.268,128 60.556,129 17.755,130 12.132,131 4.55,132 2.152,133 4.469,134 4.233,135 5.455,136 11.744,137 0.082,138 11.019,139 8.923,140 1.425,141 38,142 5.606,143 5.256,144 0.736,145 5.961,146 1.05,147 27.86,148 159.623,149 4.083,150 5.689,151 1,152 6.519,153 4.641,154 6.26,155 37,156 1.1,157 11.242,158 4.551,159 5.649,160 1.513,161 6.477,162 11.133,163 7.445,164 0.78,165 4.851,166 5.357,167 0.57,168 5.611,169 2.204,170 0.054,171 7.91,172 56.358,173 5.337,174 10.135,175 11.602,176 7.392,177 5.434,178 3.928,179 3.932,180 1,181 7,182 14,183 1.231,184 6.093,185 11,186 0.658,187 3.45,188 317.82,189 317.82,190 317.82,191 3,192 11.792,193 7.313,194 2,195 4.715,196 6.275,197 4.078,198 9,199 317.82,200 9.817,201 9.382,202 7.26,203 2.94,204 8.6,205 0.227,206 9.323,207 3.092,208 3.092,209 0.519,210 67,211 6.635,212 4.166,213 317.82,214 8.854}
{0 CHEMBL610293,1 98.555,2 1,3 18.925,4 18.925,5 18.925,6 29.006,7 8.934,8 8.934,9 4.417,10 4.417,11 6.417,12 6.03,13 4.03,14 4.03,15 5.088,16 5.088,17 4.106,18 4.106,19 6.106,20 4.106,21 36.421,22 1,23 1.946,24 32.392,25 4.445,26 4.445,27 4.445,28 35.322,29 44.121,30 41.186,31 1.595,32 29.473,33 26.55,34 7.445,35 38.252,36 2.149,37 5.159,38 5.159,39 7.338,40 2.027,41 2.049,42 8.616,43 23.661,44 6.159,45 14.228,46 21.029,47 11.586,48 19.657,49 29.657,50 12.877,51 2.15,52 7.677,53 18.287,54 21.285,55 16.927,56 28.806,57 4.918,58 15.567,59 1,60 19.893,61 9,62 57.957,63 8.253,64 6.172,65 22.081,66 32.998,67 1.02,68 5.777,69 23.323,70 21.326,71 12.313,72 8.316,73 5.742,74 11.51,75 22.61,76 9.057,77 10.227,78 69.149,79 4.572,80 4.753,81 5.539,82 20.159,83 5.559,84 0.839,85 20.739,86 18.504,87 9,88 15.746,89 28.682,90 7.207,91 43.444,92 4.386,93 5.641,94 7,95 0.399,96 30.837,97 17.849,98 17.124,99 2.762,100 4.617,101 6.603,102 18.067,103 13.961,104 13.022,105 1.248,106 15.998,107 9.192,108 13.38,109 14.15,110 14.15,111 12.443,112 26.535,113 24.397,114 11.714,115 15.787,116 14.389,117 7.61,118 10.341,119 22.271,120 13.83,121 2.604,122 2.766,123 9.877,124 3.914,125 14.972,126 4.657,127 3.895,128 61.781,129 17.936,130 12.362,131 4.674,132 2.148,133 4.593,134 4.339,135 5.473,136 11.965,137 9.007,138 11.2,139 9.157,140 1.532,141 43,142 5.634,143 5.305,144 5.083,145 6.219,146 1.1,147 28.679,148 161.226,149 4.113,150 5.719,151 2,152 6.755,153 4.719,154 6.547,155 44,156 1.172,157 12.137,158 4.641,159 5.886,160 1.565,161 6.796,162 11.351,163 7.697,164 0.102,165 4.897,166 5.557,167 6.647,168 6.722,169 2.279,170 10.664,171 8.267,172 60.48,173 5.39,174 10.337,175 12.203,176 7.536,177 5.489,178 3.948,179 4.111,180 1,181 8,182 15,183 1.258,184 6.5,185 20,186 0.698,187 4.583,188 317.82,189 317.82,190 317.82,191 3,192 12.443,193 7.512,194 2,195 4.864,196 6.435,197 4.109,198 7,199 317.82,200 10.026,201 9.817,202 8.398,203 3.488,204 9.77,205 0.221,206 9.892,207 3.476,208 3.476,209 0.552,210 69,211 7.002,212 4.189,213 317.82,214 8.854}
{0 CHEMBL610523,1 416.881,2 4,3 18.868,4 18.868,5 18.868,6 28.894,7 8.926,8 8.926,9 4.334,10 4.334,11 6.334,12 6.004,13 4.004,14 4.004,15 5.073,16 5.073,17 4.095,18 4.095,19 6.095,20 4.095,21 83.47,22 2,23 2.565,24 33.008,25 4.522,26 4.522,27 4.522,28 35.942,29 44.747,30 41.811,31 1.592,32 30.081,33 27.148,34 7.522,35 38.876,36 2.153,37 5.164,38 5.164,39 0.237,40 2.035,41 2.056,42 8.466,43 24.244,44 6.164,45 14.654,46 21.478,47 12,48 20.103,49 50.946,50 13.297,51 2.152,52 8.921,53 18.73,54 21.818,55 17.364,56 44.977,57 5.342,58 15.999,59 2,60 20.422,61 14,62 90.355,63 2.888,64 6.174,65 33.784,66 33.588,67 1.1,68 6.301,69 35.187,70 35.553,71 0.068,72 12.717,73 6.189,74 3.398,75 37.401,76 9.467,77 10.638,78 106.471,79 5.127,80 5.25,81 5.997,82 20.683,83 6.077,84 1.08,85 21.305,86 19.028,87 14,88 16.257,89 29.252,90 11.612,91 67.793,92 4.795,93 0.346,94 10,95 0.392,96 31.418,97 26.497,98 17.642,99 4.515,100 5.156,101 9.993,102 18.58,103 14.457,104 13.515,105 1.558,106 16.502,107 9.673,108 13.937,109 18.844,110 18.844,111 12.948,112 27.094,113 24.944,114 12.199,115 24.06,116 14.891,117 8.022,118 10.817,119 22.806,120 14.381,121 4.531,122 4.762,123 3.138,124 2.302,125 15.494,126 5.09,127 0.479,128 94.825,129 18.48,130 12.911,131 5.182,132 2.149,133 5.044,134 4.761,135 5.909,136 12.455,137 0.158,138 11.711,139 9.627,140 2.206,141 69,142 6.222,143 5.74,144 2.455,145 6.892,146 1.105,147 48.512,148 240.478,149 4.172,150 6.258,151 2,152 7.173,153 5.263,154 7.281,155 71,156 1.153,157 18.318,158 5.202,159 6.497,160 1.554,161 7.622,162 11.887,163 8.161,164 1.238,165 5.355,166 6.107,167 2.656,168 10.778,169 3.624,170 0.104,171 8.8,172 100.632,173 5.993,174 10.863,175 18.779,176 8.008,177 6.032,178 3.978,179 4.71,180 2,181 13,182 25,183 1.565,184 7.222,185 19,186 0.912,187 7.26,188 482.615,189 482.615,190 482.615,191 6,192 19.118,193 7.998,194 4,195 5.291,196 6.905,197 4.164,198 14,199 482.615,200 10.511,201 15.051,202 13.265,203 3.977,204 15.355,205 0.211,206 13.258,207 4.066,208 4.066,209 0.744,210 107,211 7.946,212 4.253,213 482.615,214 6.559}
{0 CHEMBL610524,1 381,2 4,3 18.867,4 18.867,5 18.867,6 28.892,7 8.925,8 8.925,9 4.334,10 4.334,11 6.334,12 6.004,13 4.004,14 4.004,15 5.073,16 5.073,17 4.094,18 4.094,19 6.094,20 4.094,21 38.402,22 1,23 1.946,24 33.007,25 4.522,26 4.522,27 4.522,28 35.941,29 44.746,30 41.81,31 1.59,32 30.08,33 27.146,34 7.522,35 38.875,36 2.154,37 5.164,38 5.164,39 0.237,40 2.034,41 2.056,42 8.466,43 24.242,44 6.164,45 14.644,46 21.475,47 11.982,48 20.1,49 47.313,50 13.284,51 2.152,52 8.921,53 18.726,54 21.815,55 17.359,56 42.676,57 5.283,58 15.992,59 2,60 20.418,61 12,62 85.56,63 2.888,64 6.173,65 32.365,66 33.587,67 1.081,68 6.246,69 32.39,70 31.131,71 0.068,72 11.468,73 6.14,74 3.398,75 34.762,76 9.434,77 10.615,78 98.64,79 4.993,80 5.199,81 5.952,82 20.675,83 6.017,84 1.014,85 21.303,86 19.024,87 12,88 16.25,89 29.25,90 11.026,91 61.956,92 4.733,93 0.346,94 8,95 0.392,96 31.416,97 24.857,98 17.636,99 4.295,100 5.071,101 9.129,102 18.569,103 14.438,104 13.503,105 1.5,106 16.487,107 9.651,108 13.903,109 18.842,110 18.842,111 12.934,112 27.091,113 24.94,114 12.181,115 21.81,116 14.882,117 7.983,118 10.796,119 22.8,120 14.346,121 4.025,122 4.444,123 3.138,124 2.302,125 15.487,126 5.045,127 0.479,128 88.058,129 18.476,130 12.874,131 5.132,132 2.149,133 5.005,134 4.708,135 5.83,136 12.429,137 0.158,138 11.677,139 9.596,140 2.166,141 66,142 6.08,143 5.674,144 2.455,145 6.845,146 1.103,147 42.261,148 228.707,149 4.17,150 6.138,151 2,152 7.123,153 5.176,154 7.225,155 67,156 1.146,157 16.826,158 5.077,159 6.458,160 1.559,161 7.559,162 11.848,163 8.126,164 1.282,165 5.285,166 6.073,167 2.656,168 10.722,169 3.401,170 0.104,171 8.599,172 95.543,173 5.857,174 10.822,175 17.157,176 7.956,177 5.914,178 3.964,179 4.263,180 1,181 12,182 22,183 1.562,184 7.216,185 19,186 0.895,187 7.14,188 435.531,189 435.531,190 435.531,191 6,192 17.52,193 7.96,194 3,195 5.23,196 6.855,197 4.161,198 13,199 435.531,200 10.478,201 13.768,202 12.654,203 3.976,204 14.611,205 0.217,206 13.013,207 4.066,208 4.066,209 0.8,210 99,211 7.882,212 4.249,213 435.531,214 6.783}
{0 CHEMBL610534,1 140.564,2 2,3 18.865,4 18.865,5 18.865,6 28.893,7 8.924,8 8.924,9 4.322,10 4.322,11 6.322,12 5.993,13 3.993,14 3.993,15 5.062,16 5.062,17 4.084,18 4.084,19 6.084,20 4.084,21 30.113,22 1,23 1.946,24 32.326,25 4.542,26 4.542,27 4.542,28 35.259,29 44.063,30 41.127,31 1.581,32 29.402,33 26.472,34 7.542,35 38.192,36 2.145,37 5.151,38 5.151,39 0.125,40 2.024,41 2.046,42 8.603,43 23.575,44 6.151,45 14.03,46 20.818,47 11.402,48 19.448,49 32.094,50 12.682,51 2.145,52 7.242,53 18.081,54 21.165,55 16.722,56 29.214,57 4.794,58 15.365,59 1,60 19.774,61 11,62 57.105,63 2.225,64 6.156,65 21.182,66 32.918,67 0.971,68 5.819,69 24.213,70 22.398,71 0.035,72 9.028,73 5.721,74 2.73,75 23.057,76 8.902,77 10.046,78 71.853,79 4.612,80 4.77,81 5.518,82 20.061,83 5.585,84 0.866,85 20.644,86 18.387,87 11,88 15.63,89 28.592,90 7.264,91 45.655,92 4.374,93 0.188,94 9,95 0.398,96 30.752,97 17.521,98 17.008,99 2.813,100 4.636,101 6.768,102 17.971,103 13.881,104 12.908,105 1.333,106 15.909,107 9.079,108 13.368,109 12.333,110 12.333,111 12.351,112 26.441,113 24.3,114 11.607,115 16.941,116 14.275,117 7.452,118 10.232,119 22.172,120 13.817,121 2.76,122 2.894,123 2.473,124 2.302,125 14.86,126 4.643,127 0.268,128 63.44,129 17.836,130 12.35,131 4.68,132 2.143,133 4.574,134 4.32,135 5.499,136 11.896,137 0.082,138 11.168,139 9.065,140 1.47,141 43,142 5.723,143 5.308,144 1.778,145 6.273,146 1.097,147 31.409,148 136.081,149 4.133,150 5.808,151 1,152 6.648,153 4.763,154 6.611,155 43,156 1.127,157 12.276,158 4.688,159 5.911,160 1.548,161 6.869,162 11.337,163 7.596,164 0.115,165 4.938,166 5.561,167 1.991,168 6.278,169 2.355,170 0.054,171 8.321,172 61.876,173 5.469,174 10.323,175 12.322,176 7.506,177 5.556,178 3.943,179 4.111,180 1,181 8,182 17,183 1.399,184 6.49,185 14,186 0.771,187 3.947,188 353.133,189 353.133,190 353.133,191 3,192 12.583,193 7.467,194 2,195 4.811,196 6.399,197 4.125,198 7,199 353.133,200 9.97,201 9.942,202 8.423,203 3.2,204 9.798,205 0.222,206 10.092,207 3.299,208 3.299,209 0.643,210 71,211 7.088,212 4.214,213 353.133,214 8.24}
{0 CHEMBL610541,1 156.005,2 1,3 18.82,4 18.82,5 18.82,6 28.819,7 8.919,8 8.919,9 4.284,10 4.284,11 6.284,12 5.979,13 3.979,14 3.979,15 5.048,16 5.048,17 4.07,18 4.07,19 6.07,20 4.07,21 53.095,22 1,23 1.946,24 32.292,25 4.427,26 4.427,27 4.427,28 35.226,29 44.025,30 41.091,31 1.604,32 29.367,33 26.434,34 7.427,35 38.157,36 2.156,37 5.121,38 5.121,39 5.961,40 2.022,41 2.047,42 8.472,43 23.531,44 6.121,45 13.974,46 20.748,47 11.369,48 19.379,49 31.071,50 12.632,51 2.154,52 7.219,53 18.013,54 21.085,55 16.657,56 28.341,57 4.867,58 15.302,59 1,60 19.694,61 9,62 61.299,63 6.773,64 6.136,65 21.739,66 32.885,67 0.996,68 5.875,69 23.959,70 20.737,71 10.051,72 8.903,73 5.807,74 9.414,75 22.805,76 8.915,77 10.023,78 83.189,79 4.655,80 4.783,81 5.612,82 20.006,83 5.651,84 0.87,85 20.595,86 18.306,87 9,88 15.55,89 28.551,90 6.606,91 47.718,92 4.437,93 4.561,94 6,95 0.421,96 30.715,97 18.357,98 16.927,99 2.947,100 4.643,101 7.275,102 17.917,103 13.843,104 12.835,105 1.172,106 15.86,107 9.041,108 13.224,109 12.064,110 12.064,111 12.285,112 26.395,113 24.25,114 11.547,115 16.37,116 14.198,117 7.474,118 10.18,119 22.118,120 13.69,121 2.703,122 2.969,123 8.087,124 3.429,125 14.8,126 4.693,127 3.128,128 74.851,129 17.774,130 12.234,131 4.725,132 2.151,133 4.65,134 4.407,135 5.59,136 11.877,137 7.337,138 11.152,139 9.047,140 2,141 38,142 5.717,143 5.411,144 4.267,145 6.011,146 1.1,147 28.964,148 260.203,149 4.083,150 5.804,151 1,152 6.728,153 4.74,154 6.271,155 41,156 1.13,157 12.754,158 4.617,159 5.733,160 1.51,161 6.471,162 11.249,163 7.586,164 1.411,165 5.023,166 5.46,167 5.487,168 7.611,169 2.545,170 8.698,171 7.91,172 66.719,173 5.471,174 10.268,175 13.992,176 7.584,177 5.561,178 3.952,179 3.932,180 1,181 7,182 15,183 1.224,184 6.238,185 12,186 0.815,187 4.352,188 341.362,189 341.362,190 341.362,191 3,192 14.203,193 7.477,194 2,195 4.948,196 6.472,197 4.078,198 9,199 341.362,200 9.976,201 11.327,202 7.957,203 2.976,204 9.833,205 0.239,206 9.805,207 3.092,208 3.092,209 0.519,210 80,211 6.621,212 4.166,213 317.82,214 9.347}
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{0 CHEMBL611400,1 117.427,2 1,3 19.192,4 19.192,5 19.192,6 29.24,7 8.974,8 8.974,9 4.333,10 4.333,11 6.333,12 6.025,13 4.025,14 4.025,15 5.074,16 5.074,17 4.089,18 4.089,19 6.089,20 4.089,21 42.137,22 1,23 1.946,24 32.508,25 4.442,26 4.442,27 4.442,28 35.461,29 44.319,30 41.366,31 1.602,32 29.562,33 26.611,34 7.442,35 38.412,36 2.158,37 5.142,38 5.142,39 7.338,40 2.028,41 2.054,42 8.664,43 23.685,44 6.142,45 14.05,46 20.908,47 11.399,48 19.525,49 32.731,50 12.689,51 2.159,52 7.302,53 18.144,54 21.153,55 16.771,56 28.982,57 4.796,58 15.399,59 1,60 19.755,61 8,62 56.632,63 8.254,64 6.158,65 21.224,66 32.976,67 0.997,68 5.871,69 23.585,70 22.198,71 12.313,72 9.492,73 5.734,74 11.51,75 23.938,76 8.894,77 10.035,78 79.477,79 4.74,80 4.794,81 5.53,82 20.034,83 5.641,84 0.837,85 20.73,86 18.359,87 8,88 15.585,89 28.626,90 6.495,91 45.016,92 4.402,93 5.641,94 6,95 0.418,96 30.798,97 17.383,98 16.971,99 2.9,100 4.69,101 7.285,102 17.929,103 13.818,104 12.845,105 1.21,106 15.854,107 9.043,108 13.232,109 12.458,110 12.458,111 12.312,112 26.461,113 24.305,114 11.541,115 16.999,116 14.221,117 7.44,118 10.159,119 22.161,120 13.691,121 2.797,122 3.069,123 9.877,124 3.914,125 14.881,126 4.661,127 3.895,128 70.65,129 17.877,130 12.23,131 4.71,132 2.157,133 4.596,134 4.35,135 5.503,136 11.833,137 9.007,138 11.11,139 9.005,140 1.519,141 38,142 5.713,143 5.318,144 5.105,145 6.045,146 1.102,147 30.183,148 154.687,149 4.09,150 5.803,151 1,152 6.663,153 4.799,154 6.323,155 39,156 1.142,157 12.71,158 4.693,159 5.753,160 1.511,161 6.544,162 11.233,163 7.529,164 -0.445,165 4.979,166 5.46,167 6.652,168 6.722,169 2.4,170 10.664,171 7.91,172 65.558,173 5.475,174 10.238,175 13.174,176 7.507,177 5.572,178 3.951,179 3.932,180 1,181 7,182 15,183 1.168,184 6.031,185 19,186 0.658,187 4.001,188 388.446,189 388.446,190 388.446,191 3,192 13.517,193 7.416,194 2,195 4.863,196 6.392,197 4.084,198 7,199 388.446,200 9.915,201 10.749,202 7.796,203 2.998,204 9.478,205 0.219,206 9.528,207 3.128,208 3.128,209 0.519,210 77,211 6.704,212 4.172,213 388.446,214 8.585}
{0 CHEMBL611402,1 113.19,2 1,3 19.192,4 19.192,5 19.192,6 29.239,7 8.974,8 8.974,9 4.333,10 4.333,11 6.333,12 6.025,13 4.025,14 4.025,15 5.074,16 5.074,17 4.089,18 4.089,19 6.089,20 4.089,21 40.704,22 1,23 1.946,24 32.508,25 4.438,26 4.438,27 4.438,28 35.46,29 44.319,30 41.365,31 1.602,32 29.562,33 26.61,34 7.438,35 38.412,36 2.157,37 5.142,38 5.142,39 7.338,40 2.028,41 2.053,42 8.664,43 23.684,44 6.142,45 14.038,46 20.905,47 11.379,48 19.521,49 29.155,50 12.673,51 2.159,52 7.3,53 18.138,54 21.151,55 16.764,56 25.927,57 4.766,58 15.389,59 1,60 19.753,61 8,62 54.732,63 8.253,64 6.155,65 19.942,66 32.975,67 0.997,68 5.767,69 21.674,70 20.862,71 12.313,72 8.038,73 5.665,74 11.51,75 22.192,76 8.867,77 10.011,78 72.591,79 4.489,80 4.733,81 5.466,82 20.03,83 5.548,84 0.825,85 20.728,86 18.357,87 8,88 15.582,89 28.624,90 6.419,91 43.304,92 4.369,93 5.641,94 6,95 0.415,96 30.797,97 16.68,98 16.969,99 2.67,100 4.625,101 6.432,102 17.924,103 13.811,104 12.841,105 1.181,106 15.848,107 9.034,108 13.216,109 12.438,110 12.438,111 12.305,112 26.459,113 24.302,114 11.535,115 14.908,116 14.217,117 7.409,118 10.154,119 22.158,120 13.675,121 2.585,122 2.805,123 9.877,124 3.914,125 14.876,126 4.623,127 3.895,128 65.207,129 17.874,130 12.214,131 4.654,132 2.157,133 4.559,134 4.32,135 5.462,136 11.824,137 9.007,138 11.099,139 8.997,140 1.49,141 38,142 5.626,143 5.28,144 5.101,145 6.006,146 1.097,147 27.247,148 186.371,149 4.088,150 5.72,151 1,152 6.633,153 4.726,154 6.284,155 39,156 1.101,157 11.561,158 4.614,159 5.724,160 1.504,161 6.494,162 11.217,163 7.523,164 0.121,165 4.898,166 5.442,167 6.651,168 6.722,169 2.257,170 10.664,171 7.91,172 60.348,173 5.383,174 10.223,175 12.62,176 7.493,177 5.497,178 3.944,179 3.932,180 1,181 7,182 13,183 1.142,184 6.031,185 17,186 0.643,187 3.961,188 317.82,189 317.82,190 317.82,191 3,192 12.874,193 7.404,194 2,195 4.834,196 6.378,197 4.082,198 7,199 317.82,200 9.905,201 10.209,202 7.681,203 2.993,204 9.334,205 0.243,206 9.465,207 3.12,208 3.12,209 0.519,210 71,211 6.646,212 4.17,213 317.82,214 9.149}
{0 CHEMBL611438,1 90.293,2 1,3 18.849,4 18.849,5 18.849,6 28.865,7 8.922,8 8.922,9 4.315,10 4.315,11 6.315,12 5.987,13 3.987,14 3.987,15 5.056,16 5.056,17 4.077,18 4.077,19 6.077,20 4.077,24 32.309,25 4.455,26 4.455,27 4.455,28 35.244,29 44.048,30 41.113,31 1.576,32 29.382,33 26.448,34 7.455,35 38.177,36 2.161,37 5.137,38 5.137,39 0.125,40 2.046,41 2.068,42 8.337,43 23.543,44 6.137,45 13.958,46 20.771,47 11.318,48 19.398,49 24.072,50 12.602,51 2.163,52 7.217,53 18.026,54 21.109,55 16.663,56 22.889,57 4.676,58 15.299,59 1,60 19.714,61 5,62 45.907,63 2.225,64 6.136,65 18.326,66 32.891,67 0.895,68 5.597,69 17.595,70 14.782,71 0.035,72 6.265,73 5.545,74 2.73,75 18.689,76 8.811,77 9.951,78 61.136,79 4.237,80 4.627,81 5.356,82 19.994,83 5.363,84 0.679,85 20.604,86 18.322,87 5,88 15.554,89 28.555,90 5.919,91 33.61,92 4.284,93 0.188,94 3,95 0.406,96 30.72,97 14.317,98 16.938,99 2.365,100 4.419,101 5.226,102 17.897,103 13.795,104 12.819,105 1.059,106 15.828,107 8.991,108 13.214,109 12.04,110 12.04,111 12.264,112 26.397,113 24.249,114 11.515,115 11.635,116 14.193,117 7.344,118 10.134,119 22.113,120 13.67,121 1.917,122 2.381,123 2.473,124 2.302,125 14.796,126 4.559,127 0.268,128 55.229,129 17.78,130 12.207,131 4.549,132 2.162,133 4.508,134 4.255,135 5.275,136 11.81,137 0.082,138 11.097,139 8.973,140 1.444,141 41,142 5.194,143 5.131,144 1.778,145 6.071,146 1.001,147 19.428,148 124.31,149 4.105,150 5.356,151 1,152 6.565,153 4.526,154 6.373,155 39,156 1.068,157 9.445,158 4.34,159 5.765,160 1.514,161 6.616,162 11.206,163 7.496,164 0.146,165 4.749,166 5.46,167 1.991,168 6.667,169 1.913,170 0.054,171 7.322,172 49.825,173 4.97,174 10.204,175 10.747,176 7.451,177 5.13,178 3.786,179 2.398,181 7,182 9,183 1.19,184 6.342,185 19,186 0.528,187 3.926,188 247.193,189 247.193,190 247.193,191 4,192 11.035,193 7.383,194 1,195 4.75,196 6.337,197 4.099,198 6,199 247.193,200 9.887,201 8.698,202 7.04,203 2.961,204 8.62,205 0.252,206 9.823,207 3.078,208 3.078,209 0.571,210 61,211 6.82,212 4.178,213 235.422,214 6.638}
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{0 CHEMBL63597,3 11.264,4 11.264,5 11.264,6 18.172,7 6.807,8 6.807,9 3.689,10 3.689,11 5.689,12 5.182,13 3.182,14 3.182,15 4.202,16 4.202,17 3.214,18 3.214,19 5.214,20 3.214,24 26.959,25 4.115,26 4.115,27 4.115,28 29.359,29 36.518,30 34.13,31 1.39,32 24.615,33 22.198,34 7.115,35 31.732,36 2.108,37 4.532,38 4.532,39 1.404,40 1.994,41 2.014,42 6.609,43 19.915,44 5.532,45 12.176,46 17.727,47 10.021,48 16.61,49 23.497,50 11.005,51 2.092,52 6.425,53 15.478,54 17.96,55 14.38,56 22.616,57 4.044,58 13.238,60 16.833,61 6,62 38.921,63 2.279,64 5.238,65 16.148,66 29.394,67 1.012,68 5.44,69 20.108,70 16.604,71 2.538,72 8.712,73 5.378,74 2.854,75 16.649,76 7.958,77 8.767,78 68.434,79 4.659,80 4.414,81 5.144,82 18.187,83 5.18,84 0.869,85 17.441,86 15.691,87 6,88 13.428,89 25.638,90 3.487,91 35.446,92 4.17,93 1.074,94 4,95 0.441,96 27.514,97 13.927,98 14.579,99 1.921,100 4.27,101 6.15,102 16.345,103 12.706,104 11.168,105 1.025,106 14.516,107 7.732,108 12.182,109 9.811,110 9.811,111 10.854,112 23.766,113 21.899,114 10.164,115 14.886,116 12.349,117 6.49,118 8.903,119 20.039,120 12.703,121 1.963,122 1.961,123 2.558,124 2.293,125 12.662,126 4.376,127 0.801,128 59.785,129 15.299,130 11.279,131 4.262,132 2.082,133 4.254,134 4.078,135 5.283,136 10.922,137 1.768,138 10.335,139 8.067,140 1,141 23,142 5.438,143 5.049,144 1.818,145 4.949,146 1.098,147 23.691,148 189.94,149 4.011,150 5.383,152 6.065,153 4.427,154 5.094,155 22,156 1.157,157 10.186,158 4.441,159 4.754,160 1.469,161 5.153,162 10.381,163 6.594,164 -0.888,165 4.756,166 4.625,167 2.028,168 3.778,169 1.841,170 2.15,171 6.969,172 40.251,173 5.158,174 9.481,175 10.566,176 7.038,177 5.138,178 3.875,179 2.398,181 4,182 11,183 1.255,184 5.324,185 26,186 0.496,187 1.071,188 376.675,189 376.675,190 376.675,192 10.935,193 6.751,195 4.476,196 5.905,197 4.014,198 14,199 376.675,200 9.176,201 8.794,202 5.091,203 2.914,204 6.836,205 0.206,206 7.435,207 2.988,208 2.988,209 0.2,210 64,211 5.198,212 4.076,213 376.675,214 5.536}
{0 CHEMBL63651,3 11.293,4 11.293,5 11.293,6 18.198,7 6.813,8 6.813,9 3.557,10 3.557,11 5.557,12 5.184,13 3.184,14 3.184,15 4.208,16 4.208,17 3.224,18 3.224,19 5.224,20 3.224,24 26.991,25 4.114,26 4.114,27 4.114,28 29.397,29 36.583,30 34.186,31 1.408,32 24.633,33 22.212,34 7.114,35 31.782,36 2.11,37 4.532,38 4.532,39 0.125,40 1.994,41 2.014,42 6.615,43 19.914,44 5.532,45 12.183,46 17.699,47 10.057,48 16.588,49 25.757,50 11.002,51 2.094,52 6.518,53 15.456,54 17.932,55 14.368,56 24.642,57 4.072,58 13.224,60 16.805,61 7,62 41.544,63 1.542,64 5.245,65 17.581,66 29.342,67 1.037,68 5.512,69 22.665,70 19.471,71 0.035,72 9.43,73 5.458,74 1.7,75 18.257,76 8.032,77 8.776,78 75.849,79 4.832,80 4.512,81 5.221,82 18.15,83 5.263,84 0.974,85 17.441,86 15.658,87 6,88 13.396,89 25.585,90 4.25,91 39.483,92 4.32,93 0.188,94 5,95 0.44,96 27.461,97 15.912,98 14.553,99 2.115,100 4.407,101 6.77,102 16.317,103 12.707,104 11.141,105 0.985,106 14.501,107 7.73,108 12.282,109 10.243,110 10.243,111 10.864,112 23.715,113 21.851,114 10.173,115 16.447,116 12.334,117 6.509,118 8.881,119 19.995,120 12.804,121 2.332,122 2.214,123 1.617,124 2.117,125 12.657,126 4.497,127 0.268,128 66.669,129 15.29,130 11.379,131 4.36,132 2.084,133 4.368,134 4.227,135 5.404,136 10.943,137 0.082,138 10.428,139 8.113,140 1.379,141 29,142 5.585,143 5.169,144 1.453,145 5.153,146 1.117,147 27.72,148 178.169,149 4.016,150 5.552,152 6.183,153 4.556,154 5.333,155 25,156 1.225,157 11.586,158 4.617,159 4.942,160 1.471,161 5.451,162 10.485,163 6.581,164 -0.509,165 4.851,166 4.804,167 1.483,168 3.556,169 2.077,170 0.054,171 6.986,172 43.501,173 5.328,174 9.588,175 12.302,176 7.166,177 5.303,178 3.911,179 2.398,181 5,182 10,183 1.255,184 5.343,185 31,186 0.542,187 1.067,188 388.446,189 388.446,190 388.446,192 12.622,193 6.828,195 4.631,196 6.019,197 4.02,198 13,199 388.446,200 9.223,201 10.191,202 5.808,203 2.89,204 7.426,205 0.197,206 8.15,207 2.993,208 2.993,209 0.154,210 72,211 5.557,212 4.085,213 388.446,214 9.585}
{0 CHEMBL63732,3 11.293,4 11.293,5 11.293,6 18.209,7 6.813,8 6.813,9 3.689,10 3.689,11 5.689,12 5.185,13 3.185,14 3.185,15 4.209,16 4.209,17 3.224,18 3.224,19 5.224,20 3.224,24 27.07,25 4.115,26 4.115,27 4.115,28 29.472,29 36.638,30 34.247,31 1.397,32 24.718,33 22.299,34 7.115,35 31.849,36 2.108,37 4.533,38 4.533,39 1.472,40 1.994,41 2.014,42 6.615,43 20.004,44 5.533,45 12.199,46 17.755,47 10.043,48 16.637,49 25.89,50 11.025,51 2.093,52 6.517,53 15.504,54 18.016,55 14.405,56 23.884,57 4.044,58 13.262,60 16.885,61 6,62 41.201,63 2.313,64 5.245,65 17.036,66 29.454,67 1.012,68 5.51,69 21.239,70 19.272,71 2.556,72 9.256,73 5.432,74 2.869,75 18.418,76 7.981,77 8.783,78 72.849,79 4.763,80 4.493,81 5.201,82 18.225,83 5.265,84 0.869,85 17.529,86 15.739,87 6,88 13.469,89 25.691,90 3.77,91 37.674,92 4.223,93 1.159,94 4,95 0.446,96 27.571,97 14.671,98 14.624,99 2.055,100 4.389,101 6.546,102 16.38,103 12.736,104 11.202,105 1.04,106 14.548,107 7.774,108 12.243,109 10.239,110 10.239,111 10.903,112 23.815,113 21.945,114 10.197,115 15.705,116 12.388,117 6.5,118 8.927,119 20.081,120 12.762,121 2.251,122 2.171,123 2.58,124 2.293,125 12.731,126 4.427,127 0.877,128 63.669,129 15.369,130 11.337,131 4.35,132 2.083,133 4.306,134 4.129,135 5.347,136 10.95,137 1.815,138 10.374,139 8.098,140 1,141 23,142 5.551,143 5.109,144 1.886,145 5.043,146 1.104,147 27.542,148 189.94,149 4.013,150 5.547,152 6.095,153 4.546,154 5.209,155 22,156 1.162,157 10.782,158 4.551,159 4.836,160 1.455,161 5.293,162 10.436,163 6.608,164 -0.895,165 4.805,166 4.7,167 2.076,168 3.778,169 1.957,170 2.18,171 6.986,172 43.72,173 5.258,174 9.533,175 11.274,176 7.077,177 5.288,178 3.876,179 2.398,181 4,182 11,183 1.255,184 5.325,185 26,186 0.513,187 1.236,188 400.217,189 400.217,190 400.217,192 11.625,193 6.788,195 4.518,196 5.943,197 4.017,198 14,199 400.217,200 9.204,201 9.378,202 5.409,203 2.922,204 6.962,205 0.201,206 7.625,207 3.006,208 3.006,209 0.2,210 68,211 5.333,212 4.08,213 400.217,214 6.492}
{0 CHEMBL63750,3 11.294,4 11.294,5 11.294,6 18.21,7 6.813,8 6.813,9 3.689,10 3.689,11 5.689,12 5.185,13 3.185,14 3.185,15 4.209,16 4.209,17 3.224,18 3.224,19 5.224,20 3.224,24 27.074,25 4.115,26 4.115,27 4.115,28 29.474,29 36.639,30 34.249,31 1.413,32 24.724,33 22.307,34 7.115,35 31.851,36 2.111,37 4.533,38 4.533,39 1.404,40 1.994,41 2.015,42 6.615,43 20.017,44 5.533,45 12.258,46 17.775,47 10.129,48 16.664,49 30.742,50 11.08,51 2.095,52 6.517,53 15.533,54 18.033,55 14.445,56 28.447,57 4.144,58 13.302,60 16.907,61 8,62 48.581,63 2.279,64 5.245,65 20.255,66 29.468,67 1.099,68 5.688,69 25.834,70 22.955,71 2.538,72 11.041,73 5.606,74 2.854,75 21.794,76 8.1,77 8.854,78 86.095,79 5.037,80 4.646,81 5.368,82 18.27,83 5.435,84 1.012,85 17.546,86 15.763,87 6,88 13.502,89 25.711,90 4.525,91 45.062,92 4.415,93 1.074,94 6,95 0.443,96 27.587,97 17.938,98 14.657,99 2.433,100 4.532,101 7.843,102 16.434,103 12.814,104 11.248,105 1.083,106 14.613,107 7.84,108 12.341,109 10.241,110 10.241,111 10.967,112 23.84,113 21.975,114 10.271,115 18.996,116 12.437,117 6.586,118 8.988,119 20.118,120 12.866,121 2.726,122 2.583,123 2.558,124 2.293,125 12.766,126 4.605,127 0.801,128 75.319,129 15.399,130 11.443,131 4.492,132 2.085,133 4.473,134 4.316,135 5.534,136 11.044,137 1.768,138 10.503,139 8.205,140 1.429,141 29,142 5.729,143 5.292,144 1.818,145 5.176,146 1.153,147 32.922,148 213.483,149 4.017,150 5.743,152 6.249,153 4.696,154 5.361,155 26,156 1.255,157 13.176,158 4.724,159 4.956,160 1.454,161 5.485,162 10.551,163 6.686,164 -0.912,165 4.978,166 4.836,167 2.028,168 4,169 2.343,170 2.15,171 6.986,172 51.799,173 5.449,174 9.658,175 13.679,176 7.242,177 5.476,178 3.931,179 2.398,181 5,182 13,183 1.274,184 5.34,185 33,186 0.869,187 1.227,188 470.844,189 470.844,190 470.844,192 14.073,193 6.913,195 4.698,196 6.098,197 4.021,198 16,199 470.844,200 9.317,201 11.355,202 6.438,203 2.922,204 8.347,205 0.189,206 8.305,207 3.007,208 3.007,209 0.154,210 81,211 5.587,212 4.086,213 470.844,214 6.983}
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{0 CHEMBL67615,3 11.293,4 11.293,5 11.293,6 18.198,7 6.813,8 6.813,9 3.557,10 3.557,11 5.557,12 5.184,13 3.184,14 3.184,15 4.208,16 4.208,17 3.224,18 3.224,19 5.224,20 3.224,24 26.991,25 4.114,26 4.114,27 4.114,28 29.397,29 36.583,30 34.186,31 1.408,32 24.633,33 22.212,34 7.114,35 31.782,36 2.11,37 4.532,38 4.532,39 0.125,40 1.994,41 2.014,42 6.676,43 19.915,44 5.532,45 12.185,46 17.7,47 10.06,48 16.589,49 26.577,50 11.002,51 2.094,52 6.518,53 15.456,54 17.933,55 14.369,56 25.598,57 4.072,58 13.225,60 16.806,61 8,62 43.751,63 1.542,64 5.245,65 18.131,66 29.342,67 1.109,68 5.542,69 23.919,70 19.963,71 0.035,72 9.974,73 5.512,74 1.7,75 18.797,76 8.038,77 8.776,78 79.264,79 4.903,80 4.538,81 5.267,82 18.151,83 5.292,84 1.024,85 17.441,86 15.659,87 6,88 13.396,89 25.585,90 4.334,91 41.497,92 4.355,93 0.188,94 6,95 0.442,96 27.461,97 16.727,98 14.554,99 2.217,100 4.434,101 7.135,102 16.318,103 12.71,104 11.141,105 1.011,106 14.503,107 7.73,108 12.289,109 10.243,110 10.243,111 10.867,112 23.715,113 21.851,114 10.176,115 17.4,116 12.336,117 6.509,118 8.881,119 19.996,120 12.812,121 2.395,122 2.275,123 1.617,124 2.117,125 12.657,126 4.529,127 0.268,128 69.552,129 15.291,130 11.388,131 4.385,132 2.084,133 4.395,134 4.258,135 5.455,136 10.947,137 0.082,138 10.436,139 8.119,140 1.414,141 29,142 5.609,143 5.215,144 1.453,145 5.165,146 1.164,147 28.277,148 166.398,149 4.016,150 5.581,152 6.194,153 4.582,154 5.342,155 25,156 1.226,157 12.216,158 4.646,159 4.956,160 1.461,161 5.468,162 10.494,163 6.581,164 -0.515,165 4.894,166 4.82,167 1.483,168 3.556,169 2.167,170 0.054,171 6.986,172 44.789,173 5.356,174 9.599,175 12.789,176 7.182,177 5.336,178 3.912,179 2.398,181 5,182 11,183 1.255,184 5.343,185 31,186 0.564,187 1.147,188 411.989,189 411.989,190 411.989,192 13.122,193 6.836,195 4.651,196 6.033,197 4.02,198 12,199 411.989,200 9.229,201 10.619,202 5.886,203 2.89,204 7.624,205 0.194,206 8.205,207 2.993,208 2.993,209 0.154,210 75,211 5.58,212 4.085,213 411.989,214 8.796}
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