@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL2959

@attribute molecule_id 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7358,CHEMBL487563,CHEMBL487571,CHEMBL487785,CHEMBL487786,CHEMBL487969,CHEMBL487982,CHEMBL487983,CHEMBL487987,CHEMBL488170,CHEMBL488186,CHEMBL488187,CHEMBL488397,CHEMBL488398,CHEMBL488399,CHEMBL488596,CHEMBL489266,CHEMBL489460,CHEMBL490269,CHEMBL490872,CHEMBL491076,CHEMBL491473,CHEMBL491758,CHEMBL492757,CHEMBL492758,CHEMBL492931,CHEMBL492990,CHEMBL493007,CHEMBL493008,CHEMBL493106,CHEMBL493107,CHEMBL493169,CHEMBL493318,CHEMBL493319,CHEMBL493537,CHEMBL493928,CHEMBL493937,CHEMBL493940,CHEMBL494027,CHEMBL494089,CHEMBL494135,CHEMBL494136,CHEMBL494221,CHEMBL494743,CHEMBL494993,CHEMBL495026,CHEMBL495181,CHEMBL497151,CHEMBL499219,CHEMBL499247,CHEMBL500349,CHEMBL500517,CHEMBL500583,CHEMBL501364,CHEMBL501661,CHEMBL501963,CHEMBL504194,CHEMBL504950,CHEMBL507769,CHEMBL507936,CHEMBL508928,CHEMBL50894,CHEMBL509032,CHEMBL510587,CHEMBL510877,CHEMBL513909,CHEMBL514499,CHEMBL516012,CHEMBL516173,CHEMBL516958,CHEMBL517901,CHEMBL518932,CHEMBL518937,CHEMBL519033,CHEMBL519088,CHEMBL519116,CHEMBL519183,CHEMBL519239,CHEMBL519250,CHEMBL519347,CHEMBL519388,CHEMBL519697,CHEMBL519698,CHEMBL519927,CHEMBL519960,CHEMBL520110,CHEMBL520312,CHEMBL520432,CHEMBL520565,CHEMBL520728,CHEMBL520768,CHEMBL521113,CHEMBL521241,CHEMBL521432,CHEMBL521468,CHEMBL521484,CHEMBL521695,CHEMBL521851,CHEMBL522011,CHEMBL522085,CHEMBL522328,CHEMBL522682,CHEMBL522711,CHEMBL522849,CHEMBL522871,CHEMBL522892,CHEMBL523633,CHEMBL523823,CHEMBL525191,CHEMBL526133,CHEMBL528989,CHEMBL535,CHEMBL539474,CHEMBL553,CHEMBL554,CHEMBL558752,CHEMBL558969,CHEMBL560813,CHEMBL565612,CHEMBL568922,CHEMBL572878,CHEMBL572881,CHEMBL573339,CHEMBL574738,CHEMBL576887,CHEMBL576982,CHEMBL576989,CHEMBL578601,CHEMBL583042,CHEMBL583144,CHEMBL590109,CHEMBL592030,CHEMBL601719,CHEMBL604087,CHEMBL607707,CHEMBL608154,CHEMBL91829,CHEMBL939,CHEMBL941,CHEMBL95692}
@attribute SpMin8_Bh.i. numeric
@attribute SpMin7_Bh.v. numeric
@attribute D.Dtr09 numeric
@attribute SpMax8_Bh.v. numeric
@attribute SpMin7_Bh.p. numeric
@attribute SpMax8_Bh.p. numeric
@attribute SpMin6_Bh.p. numeric
@attribute D.Dtr05 numeric
@attribute SpMin8_Bh.e. numeric
@attribute SpMin7_Bh.e. numeric
@attribute SpMax8_Bh.e. numeric
@attribute SpMin5_Bh.s. numeric
@attribute Eig14_AEA.bo. numeric
@attribute SpMax8_Bh.i. numeric
@attribute SpMin8_Bh.v. numeric
@attribute SpMin8_Bh.m. numeric
@attribute SpMin6_Bh.v. numeric
@attribute SpMax1_Bh.i. numeric
@attribute ATS2i numeric
@attribute Eig14_EA.ri. numeric
@attribute MPC10 numeric
@attribute Eig14_AEA.ri. numeric
@attribute ATS2e numeric
@attribute Psi_i_0 numeric
@attribute Eig14_EA numeric
@attribute SM08_AEA.dm. numeric
@attribute ATS2v numeric
@attribute ATSC5m numeric
@attribute Eig15_EA.ed. numeric
@attribute SM10_AEA.ri. numeric
@attribute Eig15_EA.ri. numeric
@attribute ATS1i numeric
@attribute Eig15_AEA.bo. numeric
@attribute Sp numeric
@attribute Eig15_EA.bo. numeric
@attribute MPC07 numeric
@attribute MPC09 numeric
@attribute Si numeric
@attribute ATS1p numeric
@attribute C.034 numeric
@attribute Chi0_EA.bo. numeric
@attribute Eig15_EA numeric
@attribute SM09_AEA.dm. numeric
@attribute SpMax1_Bh.e. numeric
@attribute ATS1e numeric
@attribute TIC1 numeric
@attribute Eig08_AEA.ri. numeric
@attribute ATS1v numeric
@attribute SpMin6_Bh.m. numeric
@attribute SpMin4_Bh.v. numeric
@attribute SpMax6_Bh.i. numeric
@attribute Eig15_AEA.ri. numeric
@attribute SpMax5_Bh.e. numeric
@attribute ATS2p numeric
@attribute CID numeric
@attribute VvdwZAZ numeric
@attribute ATS4e numeric
@attribute SpMaxA_EA.ri. numeric
@attribute SpMax4_Bh.v. numeric
@attribute Eig14_AEA.ed. numeric
@attribute Se numeric
@attribute Eig15_AEA.dm. numeric
@attribute SpMax4_Bh.p. numeric
@attribute ATS5i numeric
@attribute Sv numeric
@attribute Eig05_EA.ri. numeric
@attribute Chi0_EA.ri. numeric
@attribute IVDM numeric
@attribute SpMax6_Bh.e. numeric
@attribute X1Kup numeric
@attribute Eig14_EA.ed. numeric
@attribute SM09_AEA.ri. numeric
@attribute X3v numeric
@attribute ON1V numeric
@attribute SpMaxA_EA numeric
@attribute ATS4i numeric
@attribute Eig09_AEA.ri. numeric
@attribute TIC2 numeric
@attribute TIC3 numeric
@attribute X1 numeric
@attribute nBT numeric
@attribute SpMaxA_AEA.ed. numeric
@attribute ATS3e numeric
@attribute Chi0_EA.ed. numeric
@attribute Chi0_AEA.bo. numeric
@attribute Chi0_AEA.dm. numeric
@attribute Chi0_AEA.ed. numeric
@attribute Chi0_AEA.ri. numeric
@attribute Chi0_EA numeric
@attribute Eig15_AEA.ed. numeric
@attribute X1Per numeric
@attribute SNar numeric
@attribute Eig08_EA.ri. numeric
@attribute ISIZ numeric
@attribute nAT numeric
@attribute SsssN numeric
@attribute TIC5 numeric
@attribute IDM numeric
@attribute SpMin4_Bh.i. numeric
@attribute SpMaxA_AEA.ri. numeric
@attribute MDDD numeric
@attribute LPRS numeric
@attribute S1K numeric
@attribute SpMin5_Bh.m. numeric
@attribute ATS3i numeric
@attribute SpMin7_Bh.m. numeric
@attribute Xt numeric
@attribute TIC4 numeric
@attribute X1MulPer numeric
@attribute IDET numeric
@attribute SpMin4_Bh.m. numeric
@attribute SpMax8_Bh.m. numeric
@attribute SpMin8_Bh.s. numeric
@attribute ATS5e numeric
@attribute S0K numeric
@attribute SAtot numeric
@attribute IDMT numeric
@attribute SpMin4_Bh.p. numeric
@attribute GMTI numeric
@attribute ON1 numeric
@attribute ATSC2m numeric
@attribute SpMaxA_AEA.bo. numeric
@attribute RDCHI numeric
@attribute ON0V numeric
@attribute CSI numeric
@attribute Eig05_AEA.ri. numeric
@attribute X0 numeric
@attribute BID numeric
@attribute Eig08_AEA.dm. numeric
@attribute NsssN numeric
@attribute ATSC2p numeric
@attribute Eig03_EA numeric
@attribute SM11_AEA.bo. numeric
@attribute Psi_e_0 numeric
@attribute ATS3p numeric
@attribute Eig08_EA numeric
@attribute SM02_AEA.dm. numeric
@attribute IDDM numeric
@attribute pXC50 numeric

@data
{1 0.821,2 1.107,4 2.715,5 1.062,6 2.735,7 1.358,8 74.848,9 0.886,10 0.886,11 2.854,12 0.462,13 1.137,14 2.925,15 1.107,16 1.181,17 1.335,18 4.128,19 4.468,20 -0.166,21 5.231,22 0.725,23 4.342,24 18.812,25 -0.188,26 -0.188,27 3.863,28 19.997,29 -1.096,30 -1.096,31 -0.422,32 3.969,33 0.965,34 31.387,35 -0.594,36 4.875,37 5.165,38 47.87,39 3.557,40 1,41 15.561,42 -0.453,43 -0.453,44 4.093,45 3.876,46 143.581,47 2.169,48 3.514,49 1.259,50 1.633,51 2.942,52 0.504,53 3.381,54 3.915,55 4.038,56 316.15,57 4.58,58 0.103,59 3.494,60 2.605,61 43.407,62 0.301,63 3.526,64 4.819,65 30.037,66 2.091,67 18.876,68 4.694,69 2.895,70 8.367,71 -0.422,72 -0.422,73 5.186,74 2.38,75 0.107,76 4.762,77 2,78 177.355,79 200.574,80 13.114,81 46,82 0.225,83 4.56,84 10.837,85 18.361,86 18.361,87 18.361,88 18.361,89 18.361,90 2.512,91 6.652,92 20.285,93 1.139,94 233.329,95 43,97 204.574,98 8.228,99 1.415,100 0.139,101 25.295,102 132.502,103 17.477,104 1.409,105 4.722,106 1.181,107 0.222,108 204.574,109 8.007,110 1215.67,111 1.552,112 2.687,113 0.218,114 4.601,115 116.382,116 431.29,117 15393.9,118 1.597,119 8549,120 5.889,121 14.667,122 0.152,123 3.869,124 8.126,125 587,126 3.176,127 18.803,128 3.341,129 1.488,131 6.738,132 2.592,133 2.592,134 9.975,135 3.994,136 1.23,137 1.23,138 4.72,139 5.4}
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{0 CHEMBL1164759,1 0.977,2 1.561,3 146.185,4 2.893,5 1.567,6 2.9,7 1.704,8 161.806,9 1.045,10 1.286,11 3.048,12 0.812,13 2.371,14 3.12,15 1.292,16 1.285,17 1.688,18 4.208,19 4.864,20 0.983,21 5.541,22 1.984,23 4.694,24 24.157,25 1,26 1,27 4.116,28 31.368,29 1.754,30 1.754,31 0.71,32 4.325,33 2.163,34 41.103,35 1.017,36 5.13,37 5.425,38 67.351,39 3.771,40 3,41 20.407,42 0.73,43 0.73,44 4.174,45 4.195,46 222.97,47 2.491,48 3.749,49 1.658,50 1.82,51 3.487,52 1.705,53 3.601,54 4.162,55 4.271,56 399.83,57 5.018,58 0.084,59 3.679,60 3.247,61 59.774,62 1,63 3.664,64 5.205,65 39.111,66 2.435,67 23.972,68 5.043,69 3.392,70 11.132,71 2.136,72 2.136,73 5.9,74 3.449,75 0.086,76 5.25,77 2.481,78 286.85,79 320.904,80 16.708,81 64,82 0.181,83 4.908,84 14.211,85 23.662,86 23.662,87 23.662,88 23.662,89 23.662,90 3.247,91 9.041,92 26.235,93 1.477,94 354.413,95 60,97 327.659,98 8.895,99 1.648,100 0.112,101 44.464,102 182.324,103 22.084,104 1.686,105 5.108,106 1.504,107 0.195,108 327.659,109 10.854,110 2122.57,111 1.787,112 2.905,113 0.439,114 4.97,115 164.974,116 554.938,117 33096.7,118 1.832,119 17542,120 7.556,121 21.198,122 0.123,123 4.596,124 10.9,125 915,126 3.45,127 23.33,128 3.561,129 1.804,131 8.319,132 2.686,133 2.686,134 12.524,135 4.271,136 1.549,137 1.549,138 5.05,139 5.301}
{0 CHEMBL1164760,1 1.047,2 1.496,3 142.404,4 2.871,5 1.512,6 2.868,7 1.656,8 270.129,9 1.118,10 1.28,11 3.07,12 0.796,13 2.275,14 3.169,15 1.408,16 1.382,17 1.644,18 4.204,19 4.821,20 0.848,21 5.421,22 1.848,23 4.659,24 23.226,25 0.893,26 0.893,27 4.078,28 31.669,29 1.625,30 1.625,31 0.633,32 4.286,33 2.131,34 38.796,35 0.958,36 5.063,37 5.298,38 64.145,39 3.709,40 4,41 19.57,42 0.65,43 0.65,44 4.171,45 4.161,46 221.917,47 2.539,48 3.7,49 1.622,50 1.809,51 3.339,52 1.626,53 3.563,54 4.105,55 4.239,56 376.66,57 4.979,58 0.087,59 3.675,60 3.271,61 57.218,62 0.904,63 3.661,64 5.184,65 37.299,66 2.434,67 23.017,68 4.989,69 3.27,70 10.565,71 2.136,72 2.136,73 5.803,74 3.202,75 0.088,76 5.193,77 2.449,78 281.746,79 310.965,80 16.119,81 61,82 0.185,83 4.856,84 13.356,85 22.748,86 22.748,87 22.748,88 22.748,89 22.748,90 3.247,91 8.553,92 25.255,93 1.516,94 332.475,95 57,97 313.72,98 8.767,99 1.589,100 0.115,101 43.096,102 177.126,103 21.345,104 1.652,105 5.05,106 1.447,107 0.199,108 313.72,109 10.315,110 2075.13,111 1.77,112 2.901,113 0.442,114 4.947,115 162.465,116 536.664,117 31772.4,118 1.828,119 17358,120 7.25,121 19.821,122 0.127,123 4.529,124 10.383,125 997,126 3.45,127 22.786,128 3.532,129 1.805,131 7.784,132 2.798,133 2.798,134 12.184,135 4.206,136 1.574,137 1.574,138 5.009,139 5.801}
{0 CHEMBL1165410,1 0.941,2 1.294,3 113.058,4 2.715,5 1.291,6 2.735,7 1.528,8 132.56,9 1.02,10 1.06,11 2.854,12 0.567,13 1.73,14 2.925,15 1.273,16 1.208,17 1.523,18 4.193,19 4.613,20 0.357,21 5.147,22 1.344,23 4.459,24 18.995,25 0.369,26 0.369,27 3.863,28 22.854,29 -0.635,30 -0.635,31 -0.353,32 4.082,33 0.843,34 32.023,35 -0.42,36 4.804,37 5.069,38 52.734,39 3.517,40 3,41 16.311,42 -0.388,43 -0.388,44 4.158,45 3.962,46 166.221,47 2.36,48 3.507,49 1.474,50 1.762,51 3.256,52 0.545,53 3.424,54 3.893,55 4.039,56 314,57 4.687,58 0.102,59 3.431,60 2.716,61 47.131,62 0.334,63 3.409,64 4.855,65 30.73,66 1.813,67 19.092,68 4.706,69 3.174,70 8.626,71 0.831,72 0.831,73 4.415,74 2.656,75 0.104,76 4.906,77 2.227,78 207.582,79 236.801,80 13.242,81 50,82 0.214,83 4.636,84 11.371,85 18.731,86 18.731,87 18.731,88 18.731,89 18.731,90 2.489,91 7.009,92 20.572,93 1.339,94 261.066,95 47,97 244.311,98 8.173,99 1.486,100 0.136,101 31.155,102 135.842,103 17.527,104 1.541,105 4.83,106 1.27,107 0.22,108 244.311,109 8.429,110 1319.86,111 1.711,112 2.713,113 0.218,114 4.62,115 124.382,116 440.783,117 17327.1,118 1.781,119 9734,120 6.028,121 16.704,122 0.152,123 4.042,124 8.617,125 745,126 2.831,127 18.64,128 3.34,129 1.528,131 6.635,132 2.692,133 2.692,134 9.937,135 3.967,136 1.392,137 1.392,138 4.717,139 5.5}
{0 CHEMBL1165417,1 1.009,2 1.572,3 139.454,4 2.896,5 1.574,6 2.904,7 1.704,8 154.878,9 1.081,10 1.282,11 3.056,12 0.823,13 2.082,14 3.127,15 1.346,16 1.36,17 1.688,18 4.207,19 4.901,20 0.631,21 5.394,22 1.624,23 4.718,24 22.835,25 0.648,26 0.648,27 4.061,28 33.201,29 0.822,30 0.822,31 0.415,32 4.332,33 1.57,34 40.074,35 0.496,36 5.063,37 5.318,38 68.893,39 3.727,40 3,41 19.719,42 0.447,43 0.447,44 4.173,45 4.197,46 234.113,47 2.488,48 3.698,49 1.659,50 1.8,51 3.458,52 1.383,53 3.591,54 4.121,55 4.201,56 394.2,57 5.032,58 0.092,59 3.537,60 3.219,61 60.767,62 0.721,63 3.545,64 5.224,65 37.858,66 2.056,67 22.506,68 4.947,69 3.373,70 10.83,71 1.613,72 1.613,73 5.583,74 3.651,75 0.093,76 5.273,77 2.393,78 305.736,79 334.265,80 15.69,81 64,82 0.196,83 4.954,84 13.593,85 22.223,86 22.223,87 22.223,88 22.223,89 22.223,90 2.812,91 8.814,92 23.75,93 1.477,94 361.775,95 61,97 337.02,98 8.714,99 1.596,100 0.121,101 41.938,102 168.563,103 22.278,104 1.686,105 5.18,106 1.538,107 0.205,108 337.02,109 10.58,110 1864.83,111 1.782,112 2.906,113 0.511,114 4.985,115 156,116 569.214,117 27813.7,118 1.803,119 14069,120 7.306,121 23.866,122 0.134,123 4.373,124 10.817,125 828,126 3.08,127 22.338,128 3.502,129 1.776,131 8.975,132 2.685,133 2.685,134 11.821,135 4.23,136 1.505,137 1.505,138 4.959,139 4.3}
{0 CHEMBL1165503,1 0.942,2 1.418,3 126.585,4 2.747,5 1.448,6 2.755,7 1.588,8 242.171,9 1.022,10 1.211,11 2.942,12 0.681,13 2.153,14 3.011,15 1.273,16 1.219,17 1.558,18 4.196,19 4.686,20 0.65,21 5.303,22 1.647,23 4.526,24 21.117,25 0.657,26 0.657,27 3.982,28 24.879,29 1.177,30 1.177,31 0.451,32 4.163,33 1.907,34 34.819,35 0.649,36 4.905,37 5.193,38 56.106,39 3.608,40 4,41 17.576,42 0.47,43 0.47,44 4.16,45 4.038,46 185.589,47 2.503,48 3.603,49 1.474,50 1.762,51 3.295,52 1.432,53 3.52,54 4.005,55 4.15,56 333.27,57 4.805,58 0.09,59 3.6,60 3.247,61 50.123,62 0.658,63 3.587,64 4.956,65 33.531,66 2.364,67 20.995,68 4.859,69 3.214,70 9.516,71 1.622,72 1.622,73 5.17,74 2.814,75 0.092,76 5.03,77 2.33,78 230.709,79 259.928,80 14.67,81 54,82 0.189,83 4.709,84 12.142,85 20.67,86 20.67,87 20.67,88 20.67,89 20.67,90 3.169,91 7.726,92 23.463,93 1.487,94 282.193,95 50,97 267.438,98 8.478,99 1.58,100 0.12,101 35.947,102 156.805,103 18.554,104 1.61,105 4.896,106 1.345,107 0.206,108 267.438,109 9.291,110 1683.61,111 1.712,112 2.774,113 0.235,114 4.706,115 143.207,116 461.811,117 24212.5,118 1.782,119 14055,120 6.472,121 16.301,122 0.134,123 4.354,124 9.267,125 876,126 3.386,127 20.501,128 3.44,129 1.754,131 6.472,132 2.824,133 2.824,134 11.038,135 4.08,136 1.528,137 1.528,138 4.874,139 5.9}
{0 CHEMBL1165507,1 0.95,2 1.466,3 133.36,4 2.831,5 1.479,6 2.852,7 1.653,8 254.778,9 1.024,10 1.255,11 3.039,12 0.726,13 2.166,14 3.115,15 1.292,16 1.22,17 1.642,18 4.194,19 4.747,20 0.663,21 5.278,22 1.659,23 4.583,24 21.934,25 0.673,26 0.673,27 4.018,28 26.46,29 1.177,30 1.177,31 0.452,32 4.216,33 1.907,34 36.58,35 0.649,36 4.89,37 5.159,38 59.521,39 3.659,40 4,41 18.168,42 0.47,43 0.47,44 4.158,45 4.088,46 194.1,47 2.506,48 3.645,49 1.618,50 1.768,51 3.305,52 1.434,53 3.535,54 4.049,55 4.181,56 350.57,57 4.865,58 0.087,59 3.675,60 3.247,61 53.007,62 0.679,63 3.66,64 5.013,65 35.058,66 2.426,67 21.578,68 4.907,69 3.226,70 9.994,71 1.664,72 1.664,73 5.381,74 3.019,75 0.089,76 5.097,77 2.433,78 248.016,79 282.07,80 15.153,81 57,82 0.183,83 4.78,84 12.598,85 21.325,86 21.325,87 21.325,88 21.325,89 21.325,90 3.17,91 8.103,92 24.156,93 1.491,94 303.58,95 53,97 286.825,98 8.569,99 1.588,100 0.117,101 40.002,102 164.533,103 19.493,104 1.625,105 4.98,106 1.434,107 0.203,108 286.825,109 9.75,110 1835.92,111 1.743,112 2.833,113 0.332,114 4.763,115 149.58,116 488.5,117 27438.5,118 1.783,119 15656,120 6.694,121 17.983,122 0.13,123 4.477,124 9.767,125 953,126 3.441,127 21.209,128 3.471,129 1.772,131 7.116,132 2.798,133 2.798,134 11.419,135 4.123,136 1.53,137 1.53,138 4.92,139 6}
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{0 CHEMBL1381197,1 0.812,2 1.107,3 94.217,4 2.715,5 1.062,6 2.708,7 1.071,8 52.882,9 0.863,10 0.886,11 2.85,12 0.364,13 0.862,14 2.909,15 1.062,16 0.988,17 1.107,18 4.172,19 4.379,20 -0.448,21 4.82,22 0.436,23 4.235,24 16.807,25 -0.504,26 -0.504,27 3.721,28 15.282,29 -1.865,30 -1.865,31 -0.697,32 3.887,33 0.691,34 27.693,35 -1.014,36 4.554,37 4.754,38 42.512,39 3.387,41 14.06,42 -0.751,43 -0.751,44 4.113,45 3.771,46 119.314,47 2.066,48 3.373,49 1.181,50 1.498,51 2.925,52 0.202,53 3.144,54 3.753,55 3.932,56 270.73,57 4.419,58 0.111,59 3.23,60 2.366,61 38.251,62 -0.635,63 3.209,64 4.537,65 26.569,66 1.771,67 17.017,68 4.546,69 2.854,70 7.503,71 -1.191,72 -1.191,73 3.934,74 2.185,75 0.117,76 4.651,77 2,78 148.613,79 178.666,80 11.793,81 41,82 0.249,83 4.452,84 9.974,85 16.654,86 16.654,87 16.654,88 16.654,89 16.654,90 2.124,91 6.082,92 18.781,93 1.059,94 199.421,95 38,97 181.421,98 7.846,99 1.195,100 0.152,101 21.382,102 114.92,103 14.973,104 1.287,105 4.651,106 1.181,107 0.231,108 181.421,109 7.332,110 973.943,111 1.476,112 2.687,113 0.057,114 4.297,115 99.284,116 383.924,117 11541.2,118 1.496,119 7092,120 5.25,121 9.951,122 0.171,123 3.78,124 6.86,125 572,126 2.955,127 16.355,128 3.228,129 1.168,131 4.766,132 2.538,133 2.538,134 8.778,135 3.807,136 1.1,137 1.1,138 4.555,139 5.8}
{0 CHEMBL1421,1 1.064,2 1.459,4 2.958,5 1.407,6 2.957,7 1.521,8 97.808,9 1.153,10 1.204,11 3.148,12 0.825,13 2,14 3.223,15 1.429,16 1.513,17 1.532,18 4.038,19 4.911,20 0.566,21 5.03,22 1.528,23 4.723,24 23.249,25 0.688,26 0.688,27 4.04,28 45.193,29 0.714,30 0.714,31 0.248,32 4.31,33 1.58,34 40.068,35 0.362,36 4.727,37 4.963,38 66.923,39 3.71,40 1,41 19.929,42 0.302,43 0.302,44 3.993,45 4.186,46 228.043,47 2.782,48 3.681,49 1.532,50 1.659,51 3.332,52 1.216,53 3.421,54 4.092,55 4.224,56 411.56,57 5.006,58 0.079,59 3.553,60 3.163,61 59.603,62 0.727,63 3.54,64 5.295,65 37.862,66 2.131,67 23.048,68 4.971,69 3.274,70 10.585,71 1.676,72 1.676,73 6.588,74 3.454,75 0.084,76 5.228,77 2.451,78 280.347,79 313.566,80 15.923,81 62,82 0.179,83 4.941,84 13.115,85 22.195,86 22.195,87 22.195,88 22.195,89 22.195,90 2.952,91 8.418,92 23.868,93 1.638,94 347.076,95 59,96 4.441,97 313.566,98 8.765,99 1.496,100 0.11,101 39.278,102 178.143,103 23.984,104 1.545,105 5.151,106 1.513,107 0.205,108 313.566,109 10.203,110 2097.49,111 1.677,112 2.993,113 0.593,114 5.048,115 157.71,116 599.738,117 32631.5,118 1.655,119 16711,120 7.278,121 24.882,122 0.121,123 4.446,124 11.093,125 1026,126 3.261,127 23.372,128 3.531,129 2.119,130 2,131 8.224,132 2.816,133 2.816,134 12.193,135 4.218,136 1.854,137 1.854,138 5.014,139 5.4}
{0 CHEMBL1472492,1 1.211,2 1.674,4 2.971,5 1.642,6 2.988,7 1.735,8 101.246,9 1.293,10 1.444,11 3.154,12 1.148,13 1.304,14 3.244,15 1.549,16 1.61,17 1.748,18 4.129,19 5.159,20 0.196,21 3.912,22 1.182,23 4.919,24 22.391,25 0.2,26 0.2,27 4.05,28 38.141,29 -0.051,30 -0.051,31 -0.025,32 4.467,33 1.073,34 45.381,35 -0.027,36 3.951,37 3.97,38 83.923,39 3.826,41 18.758,42 -0.025,43 -0.025,44 4.068,45 4.309,46 171.514,47 2.354,48 3.723,49 1.766,50 1.911,51 3.555,52 0.96,53 3.622,54 4.211,55 4.082,56 439.26,57 5.248,58 0.093,59 3.59,60 2.476,61 71.701,62 0.036,63 3.61,64 5.56,65 40.369,66 1.778,67 20.409,68 4.823,69 3.476,70 12.438,71 0.409,72 0.409,73 6.347,74 5.585,75 0.101,76 5.559,77 2.132,78 246,79 285.977,80 14.309,81 75,82 0.214,83 5.221,84 13.322,85 20.184,86 20.184,87 20.184,88 20.184,89 20.184,90 2.145,91 10.273,92 20.337,93 1.347,94 459.5,95 74,97 346.48,98 8.336,99 1.636,100 0.132,101 44.385,102 157.651,103 24.027,104 1.853,105 5.527,106 1.704,107 0.222,108 319.551,109 12.087,110 1736.49,111 1.954,112 2.962,113 0.813,114 5.233,115 134.881,116 661.833,117 28407.5,118 1.885,119 14001,120 6.972,121 31.581,122 0.146,123 4.518,124 13.283,125 1062,126 2.804,127 20.573,128 3.406,129 1.392,131 12.437,132 1.988,133 1.988,134 10.821,135 4.338,136 1.366,137 1.366,138 4.823,139 6.2}
{0 CHEMBL14762,1 0.821,2 1.412,3 107.706,4 2.715,5 1.413,6 2.735,7 1.461,8 59.154,9 0.934,10 1.151,11 2.874,12 0.688,13 1,14 3.009,15 1.308,16 1.359,17 1.472,18 4.166,19 4.785,20 -0.302,21 4.787,22 0.611,23 4.572,24 18.531,25 -0.325,26 -0.325,27 3.815,28 30.377,29 -1.136,30 -1.136,31 -0.481,32 4.18,33 0.735,34 33.103,35 -0.598,36 4.673,37 4.828,38 59.351,39 3.496,41 15.891,42 -0.52,43 -0.52,44 4.109,45 4.034,46 184.307,47 2.039,48 3.472,49 1.469,50 1.812,51 3.329,52 0.409,53 3.295,54 3.869,55 3.986,56 323.79,57 4.882,58 0.108,59 3.401,60 2.618,61 51.774,62 -0.299,63 3.405,64 5.117,65 31.111,66 1.874,67 18.162,68 4.628,69 3.236,70 8.887,71 -0.788,72 -0.788,73 4.327,74 3.294,75 0.115,76 5.147,77 2,78 237.529,79 257.403,80 12.618,81 54,82 0.243,83 4.81,84 10.529,85 17.74,86 17.74,87 17.74,88 17.74,89 17.74,90 2.244,91 7.244,92 18.493,93 1.027,94 296.423,95 52,97 260.158,98 8.128,99 1.555,100 0.149,101 24.935,102 126.185,103 18.617,104 1.55,105 5.061,106 1.417,107 0.233,108 260.158,109 8.601,110 1102.79,111 1.759,112 2.717,113 0.353,114 4.843,115 116.211,116 500.084,117 13859,118 1.814,119 7233,120 5.944,121 21.878,122 0.166,123 3.729,124 9.917,125 513,126 2.952,127 18.518,128 3.305,129 1.191,131 6.999,132 2.542,133 2.542,134 9.596,135 3.985,136 1.129,137 1.129,138 4.667,139 5}
{0 CHEMBL1516890,1 0.595,2 1.006,3 141.07,4 2.433,5 0.976,6 2.394,7 1.1,8 73.372,9 0.682,10 0.803,11 2.613,12 0.343,13 0.665,14 2.647,15 0.953,16 1.009,17 1.129,18 4.184,19 4.294,20 -0.807,21 4.787,22 0.155,23 4.149,24 14.788,25 -0.827,26 -0.827,27 3.664,28 13.753,29 -2.306,30 -2.306,31 -0.9,32 3.768,33 0.516,34 24.279,35 -1.291,36 4.663,37 4.745,38 37.78,39 3.282,40 1,41 12.241,42 -0.922,43 -0.922,44 4.153,45 3.659,46 124.18,47 2.21,48 3.273,49 1.158,50 1.601,51 2.909,52 0.059,53 3.123,54 3.685,55 3.804,56 238.55,57 4.359,58 0.132,59 3.249,60 2,61 34.051,62 -0.844,63 3.238,64 4.444,65 23.413,66 1.8,67 14.617,68 4.334,69 2.833,70 6.686,71 -2.06,72 -2.06,73 3.783,74 1.968,75 0.135,76 4.561,77 1.982,78 150.709,79 166.219,80 10.237,81 37,82 0.282,83 4.328,84 8.41,85 14.43,86 14.43,87 14.43,88 14.43,89 14.43,90 2,91 5.406,92 16.414,93 1.206,94 172.974,95 34,97 168.219,98 7.499,99 1.345,100 0.176,101 12.327,102 92.787,103 12.215,104 1.29,105 4.494,106 1.053,107 0.247,108 168.219,109 6.509,110 644.947,111 1.585,112 2.539,113 0.086,114 4.245,115 88.239,116 317.225,117 6637.01,118 1.621,119 4340,120 4.5,121 10.485,122 0.194,123 3.345,124 6.567,125 372,126 2.835,127 14.397,128 3.105,129 1.232,131 4.486,132 2.234,133 2.234,134 7.734,135 3.765,136 1.22,137 1.22,138 4.37,139 6.7}
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{0 CHEMBL1681817,1 0.872,2 1.208,3 203.123,4 2.783,5 1.187,6 2.787,7 1.363,8 107.523,9 0.916,10 1.018,11 2.904,12 0.376,13 1.847,14 2.96,15 1.107,16 1.181,17 1.328,18 4.224,19 4.483,20 0.338,21 5.323,22 1.321,23 4.36,24 19.016,25 0.347,26 0.347,27 3.901,28 17.902,29 -0.471,30 -0.471,31 -0.175,32 4.007,33 1.203,34 31.046,35 -0.231,36 4.956,37 5.209,38 47.694,39 3.534,40 3,41 15.762,42 -0.178,43 -0.178,44 4.188,45 3.895,46 128.363,47 2.51,48 3.522,49 1.252,50 1.747,51 3.182,52 0.815,53 3.35,54 3.93,55 4.056,56 293.97,57 4.613,58 0.101,59 3.361,60 3,61 43.036,62 0.347,63 3.352,64 4.682,65 29.961,66 2.056,67 18.961,68 4.716,69 3.139,70 8.627,71 0.86,72 0.86,73 4.642,74 2.489,75 0.104,76 4.825,77 2.319,78 169.614,79 213.72,80 13.276,81 47,82 0.217,83 4.593,84 11.132,85 18.809,86 18.809,87 18.809,88 18.809,89 18.809,90 2.721,91 7.017,92 21.671,93 1.494,94 233.329,95 43,97 225.329,98 8.2,99 1.521,100 0.135,101 24.765,102 133.693,103 15.857,104 1.386,105 4.775,106 1.223,107 0.215,108 225.329,109 8.466,110 1255.01,111 1.663,112 2.792,113 0.218,114 4.474,115 124.382,116 395.077,117 15965.8,118 1.78,119 9821,120 5.806,121 11.625,122 0.15,123 4.023,124 7.7,125 664,126 3.093,127 18.217,128 3.34,129 1.532,131 5.667,132 2.799,133 2.799,134 9.937,135 3.989,136 1.532,137 1.532,138 4.726,139 5.824}
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{0 CHEMBL1684523,1 1.038,2 1.498,3 233.102,4 2.856,5 1.46,6 2.86,7 1.514,8 207.931,9 1.117,10 1.267,11 3.025,12 0.694,13 1.942,14 3.106,15 1.403,16 1.194,17 1.54,18 4.234,19 4.686,20 0.452,21 5.517,22 1.439,23 4.552,24 20.979,25 0.465,26 0.465,27 4.009,28 28.159,29 -0.229,30 -0.229,31 -0.078,32 4.135,33 1.222,34 34.37,35 -0.098,36 5.088,37 5.375,38 54.946,39 3.634,40 4,41 16.649,42 -0.081,43 -0.081,44 4.204,45 4.038,46 191.779,47 2.713,48 3.61,49 1.553,50 1.77,51 3.322,52 0.884,53 3.489,54 4.033,55 4.143,56 329.04,57 4.876,58 0.094,59 3.431,60 3.159,61 49.753,62 0.489,63 3.432,64 5.014,65 33.126,66 2.326,67 20.179,68 4.818,69 3.274,70 9.353,71 1.173,72 1.173,73 6.715,74 2.794,75 0.103,76 5.052,77 2.51,78 224.94,79 258.856,80 14.315,81 53,82 0.221,83 4.721,84 11.163,85 19.867,86 19.867,87 19.867,88 19.867,89 19.867,90 3.135,91 7.42,92 22.482,93 1.696,94 275.121,95 49,97 258.856,98 8.514,99 1.534,100 0.13,101 27,102 153.137,103 19.066,104 1.654,105 4.863,106 1.312,107 0.211,108 258.856,109 8.905,110 1575.27,111 1.688,112 2.877,113 0.31,114 4.813,115 143.207,116 457.761,117 21420,118 1.799,119 12139,120 6.208,121 17.487,122 0.145,123 4.068,124 9.9,125 732,126 3.353,127 21.043,128 3.441,129 2.041,131 7.748,132 2.93,133 2.93,134 11.338,135 4.133,136 1.732,137 1.732,138 4.881,139 6.886}
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{0 CHEMBL1765777,1 0.942,2 1.429,4 2.879,5 1.376,6 2.869,7 1.462,9 0.994,10 1.153,11 3.03,12 0.825,13 1.584,14 3.096,15 1.261,16 1.266,17 1.432,18 4.049,19 4.814,20 0.394,21 4.89,22 1.349,23 4.632,24 21.288,25 0.429,26 0.429,27 3.977,28 29.257,29 0.382,30 0.382,31 0.161,32 4.232,33 1.49,34 36.552,35 0.195,36 4.691,37 4.836,38 62.062,39 3.634,41 18.558,42 0.162,43 0.162,44 4.012,45 4.101,46 204.178,47 2.455,48 3.615,49 1.513,50 1.833,51 3.342,52 1.17,53 3.344,54 4.024,55 4.139,56 381.4,57 4.914,58 0.09,59 3.588,60 2.856,61 55,62 0.679,63 3.582,64 5.097,65 34.805,66 2.181,67 20.904,68 4.851,69 3.282,70 10.05,71 0.624,72 0.624,73 5.303,74 3.399,75 0.091,76 5.145,77 2.269,78 258.059,79 283.22,80 14.635,81 58,82 0.19,83 4.91,84 12.211,85 20.593,86 20.593,87 20.593,88 20.593,89 20.593,90 2.727,91 8.186,92 22.364,93 1.444,94 317.975,95 55,96 2.339,97 283.22,98 8.493,99 1.634,100 0.121,101 32.48,102 156.169,103 20.33,104 1.622,105 5.135,106 1.371,107 0.211,108 283.22,109 9.838,110 1662.36,111 1.794,112 2.866,113 0.326,114 4.864,115 139.207,116 514.644,117 23704.2,118 1.841,119 12933,120 6.694,121 21.126,122 0.133,123 4.228,124 9.983,125 850,126 3.232,127 20.924,128 3.44,129 1.742,130 1,131 7.818,132 2.743,133 2.743,134 11.124,135 4.162,136 1.467,137 1.467,138 4.877,139 6.951}
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{0 CHEMBL1765779,1 0.917,2 1.427,4 2.84,5 1.376,6 2.833,7 1.458,9 0.982,10 1.153,11 3.015,12 0.761,13 1.584,14 3.093,15 1.259,16 1.261,17 1.429,18 4.046,19 4.805,20 0.391,21 4.89,22 1.342,23 4.62,24 21.158,25 0.429,26 0.429,27 3.956,28 28.801,29 0.382,30 0.382,31 0.161,32 4.223,33 1.49,34 35.796,35 0.195,36 4.691,37 4.836,38 61.145,39 3.604,41 18.558,42 0.162,43 0.162,44 4.007,45 4.091,46 209.148,47 2.429,48 3.595,49 1.513,50 1.82,51 3.335,52 1.168,53 3.342,54 3.991,55 4.139,56 375.1,57 4.896,58 0.09,59 3.552,60 2.856,61 54.218,62 0.679,63 3.526,64 5.08,65 34.299,66 2.166,67 20.962,68 4.851,69 3.268,70 9.883,71 0.624,72 0.624,73 5.189,74 3.31,75 0.091,76 5.127,77 2.268,78 260.499,79 276.009,80 14.635,81 57,82 0.19,83 4.887,84 12.211,85 20.593,86 20.593,87 20.593,88 20.593,89 20.593,90 2.727,91 8.055,92 22.364,93 1.407,94 310.764,95 54,96 2.333,97 276.009,98 8.493,99 1.582,100 0.121,101 32.48,102 156.169,103 20.268,104 1.574,105 5.109,106 1.368,107 0.211,108 276.009,109 9.683,110 1662.36,111 1.761,112 2.866,113 0.308,114 4.843,115 139.207,116 509.324,117 23704.2,118 1.836,119 12933,120 6.694,121 20.565,122 0.133,123 4.228,124 9.85,125 850,126 3.227,127 20.924,128 3.44,129 1.742,130 1,131 7.264,132 2.743,133 2.743,134 11.111,135 4.132,136 1.467,137 1.467,138 4.877,139 7.959}
{0 CHEMBL1765780,1 0.917,2 1.427,4 2.84,5 1.376,6 2.833,7 1.458,9 0.982,10 1.153,11 3.015,12 0.825,13 1.584,14 3.093,15 1.259,16 1.261,17 1.429,18 4.05,19 4.814,20 0.396,21 4.89,22 1.355,23 4.632,24 21.288,25 0.429,26 0.429,27 3.983,28 30.601,29 0.382,30 0.382,31 0.161,32 4.232,33 1.49,34 36.552,35 0.195,36 4.691,37 4.836,38 62.062,39 3.634,41 18.558,42 0.162,43 0.162,44 4.014,45 4.101,46 206.22,47 2.436,48 3.615,49 1.513,50 1.829,51 3.335,52 1.17,53 3.342,54 4.029,55 4.139,56 381.4,57 4.936,58 0.09,59 3.581,60 2.856,61 55,62 0.679,63 3.569,64 5.135,65 34.805,66 2.204,67 20.904,68 4.851,69 3.269,70 10.028,71 0.624,72 0.624,73 5.362,74 3.376,75 0.091,76 5.168,77 2.268,78 264.1,79 283.22,80 14.635,81 58,82 0.19,83 4.908,84 12.211,85 20.593,86 20.593,87 20.593,88 20.593,89 20.593,90 2.727,91 8.166,92 22.364,93 1.418,94 317.975,95 55,96 2.34,97 283.22,98 8.493,99 1.622,100 0.121,101 32.48,102 156.169,103 20.33,104 1.594,105 5.126,106 1.368,107 0.211,108 283.22,109 9.809,110 1662.36,111 1.783,112 2.866,113 0.312,114 4.889,115 139.207,116 514.644,117 23704.2,118 1.84,119 12933,120 6.694,121 21.144,122 0.133,123 4.228,124 9.983,125 850,126 3.242,127 20.924,128 3.44,129 1.742,130 1,131 7.761,132 2.743,133 2.743,134 11.119,135 4.181,136 1.467,137 1.467,138 4.877,139 7.638}
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{0 CHEMBL1966514,1 0.839,2 1.35,3 137.76,4 2.737,5 1.309,6 2.735,7 1.529,8 154.173,9 0.891,10 1.187,11 2.907,12 0.553,13 2.173,14 2.964,15 1.183,16 1.181,17 1.495,18 4.145,19 4.591,20 0.618,21 5.347,22 1.618,23 4.484,24 22.06,25 0.721,26 0.721,27 4.028,28 30.371,29 1.372,30 1.372,31 0.608,32 4.127,33 2.118,34 35.847,35 0.927,36 5.024,37 5.268,38 54.578,39 3.67,40 1,41 18.533,42 0.618,43 0.618,44 4.135,45 4.031,46 176.486,47 2.734,48 3.656,49 1.384,50 1.599,51 3.307,52 1.586,53 3.427,54 4.064,55 4.21,56 359.3,57 4.744,58 0.089,59 3.652,60 3.264,61 49.836,62 0.625,63 3.652,64 4.952,65 34.773,66 2.275,67 22.279,68 4.943,69 3.26,70 9.652,71 1.794,72 1.794,73 6.006,74 2.666,75 0.092,76 4.913,77 2.6,78 229.837,79 258.366,80 15.581,81 53,82 0.195,83 4.697,84 12.867,85 21.878,86 21.878,87 21.878,88 21.878,89 21.878,90 3,91 7.771,92 24.561,93 1.683,94 275.121,95 49,97 265.121,98 8.667,99 1.45,100 0.119,101 37.156,102 170.204,103 20.522,104 1.444,105 4.856,106 1.276,107 0.202,108 263.121,109 9.405,110 1930.7,111 1.581,112 2.841,113 0.218,114 4.776,115 156,116 482.38,117 28914.8,118 1.612,119 16136,120 6.917,121 12.968,122 0.132,123 4.416,124 8.76,125 950,126 3.323,127 22.079,128 3.502,129 2.042,131 7.082,132 2.726,133 2.726,134 11.782,135 4.152,136 1.767,137 1.767,138 4.969,139 6.6}
{0 CHEMBL1966524,1 0.847,2 1.262,3 245.443,4 2.775,5 1.244,6 2.808,7 1.383,8 128.076,9 0.889,10 1.037,11 2.885,12 0.698,13 1.847,14 2.963,15 1.152,16 1.127,17 1.416,18 4.167,19 4.644,20 0.447,21 4.913,22 1.402,23 4.507,24 20.741,25 0.498,26 0.498,27 4.001,28 24.875,29 0.86,30 0.86,31 0.305,32 4.119,33 1.687,34 35.216,35 0.521,36 4.779,37 4.836,38 54.444,39 3.658,40 3,41 17.216,42 0.347,43 0.347,44 4.134,45 4.011,46 184.085,47 2.479,48 3.616,49 1.352,50 1.866,51 3.302,52 1.244,53 3.374,54 4.071,55 4.123,56 332.42,57 4.772,58 0.092,59 3.475,60 3.019,61 48.88,62 0.347,63 3.48,64 4.892,65 33.202,66 2.064,67 20.654,68 4.82,69 3.259,70 9.459,71 1.149,72 1.149,73 6.076,74 2.801,75 0.093,76 4.991,77 2.443,78 237.469,79 267.121,80 14.259,81 53,82 0.198,83 4.733,84 12.026,85 20.17,86 20.17,87 20.17,88 20.17,89 20.17,90 3,91 7.592,92 23.057,93 1.441,94 275.121,95 49,97 269.121,98 8.385,99 1.63,100 0.123,101 27.957,102 150.055,103 18.286,104 1.576,105 4.915,106 1.275,107 0.208,108 269.121,109 9.187,110 1545.43,111 1.851,112 2.862,113 0.205,114 4.668,115 140.881,116 465.347,117 21834,118 1.859,119 13207,120 6.278,121 17.113,122 0.137,123 4.299,124 8.65,125 830,126 3.146,127 19.631,128 3.408,129 1.546,131 7.538,132 2.687,133 2.687,134 10.679,135 4.151,136 1.532,137 1.532,138 4.834,139 5.8}
{0 CHEMBL1966628,1 0.693,2 1.179,3 85.916,4 2.607,5 1.172,6 2.593,7 1.376,8 45.114,9 0.787,10 1.003,11 2.83,12 0.76,13 0.729,14 2.922,15 1.123,16 1.099,17 1.429,18 4.165,19 4.607,20 -0.58,21 4.771,22 0.332,23 4.419,24 16.611,25 -0.615,26 -0.615,27 3.766,28 22.316,29 -2.054,30 -2.054,31 -0.814,32 4.021,33 0.656,34 28.364,35 -1,36 4.543,37 4.682,38 48.896,39 3.398,41 14.129,42 -0.84,43 -0.84,44 4.124,45 3.875,46 155.091,47 2.15,48 3.379,49 1.492,50 1.619,51 3.206,52 0.133,53 3.268,54 3.822,55 3.892,56 268.04,57 4.708,58 0.119,59 3.221,60 2,61 42.796,62 -0.837,63 3.214,64 4.842,65 26.816,66 1.826,67 16.271,68 4.483,69 3.111,70 7.976,71 -1.599,72 -1.599,73 4.488,74 2.674,75 0.121,76 4.99,77 2,78 188.574,79 201.329,80 11.293,81 46,82 0.258,83 4.72,84 9.509,85 15.947,86 15.947,87 15.947,88 15.947,89 15.947,90 2,91 6.496,92 18.087,93 1.138,94 233.329,95 43,97 211.329,98 7.731,99 1.323,100 0.159,101 17.732,102 107.641,103 14.462,104 1.513,105 4.977,106 1.179,107 0.235,108 211.329,109 7.856,110 864.674,111 1.556,112 2.684,113 0.068,114 4.559,115 100.042,116 384.227,117 9763.79,118 1.634,119 6149,120 5,121 17.236,122 0.177,123 3.652,124 7.35,125 513,126 2.876,127 15.648,128 3.189,129 1.207,131 6.328,132 2.522,133 2.522,134 8.485,135 3.922,136 1.198,137 1.198,138 4.496,139 6.2}
{0 CHEMBL1966703,1 0.804,2 1.259,3 67.466,4 2.683,5 1.237,6 2.694,7 1.239,8 38.719,9 0.906,10 0.934,11 2.895,12 0.588,13 0.642,14 3.009,15 1.227,16 1.183,17 1.308,18 4.14,19 4.618,20 -0.511,21 5.236,22 0.353,23 4.446,24 17.089,25 -0.566,26 -0.566,27 3.876,28 27.706,29 -1.735,30 -1.735,31 -0.64,32 4.014,33 0.527,34 29.262,35 -0.759,36 5.112,37 5.303,38 49.781,39 3.463,40 1,41 13.812,42 -0.664,43 -0.664,44 4.104,45 3.893,46 164.912,47 2.381,48 3.437,49 1.379,50 1.668,51 3.064,52 0.304,53 3.153,54 3.916,55 3.92,56 295.4,57 4.995,58 0.126,59 3.243,60 2.458,61 44.098,62 -0.293,63 3.246,64 5.023,65 27.904,66 1.965,67 15.94,68 4.481,69 2.983,70 8.079,71 -1.48,72 -1.48,73 4.923,74 2.661,75 0.128,76 5.254,77 2.153,78 199.95,79 211.95,80 11.372,81 47,82 0.267,83 4.742,84 8.837,85 15.723,86 15.723,87 15.723,88 15.723,89 15.723,90 2.335,91 6.446,92 17.512,93 1.353,94 240.215,95 44,97 213.95,98 7.936,99 1.351,100 0.164,101 14.743,102 108.593,103 15.438,104 1.417,105 4.913,106 1.322,107 0.239,108 213.95,109 7.749,110 803.944,111 1.642,112 2.7,113 0.176,114 4.826,115 108.039,116 415.604,117 8944.34,118 1.683,119 5142,120 4.972,121 17.1,122 0.175,123 3.33,124 8.91,125 369,126 3.032,127 17.06,128 3.231,129 1.628,131 7.494,132 2.766,133 2.766,134 8.966,135 4.119,136 1.414,137 1.414,138 4.56,139 5.8}
{0 CHEMBL1966722,1 0.821,2 1.107,4 2.715,5 1.062,6 2.735,7 1.164,9 0.886,10 0.886,11 2.854,12 0.353,13 1.394,14 2.925,15 1.107,16 1.181,17 1.15,18 4.034,19 4.49,20 0.023,21 4.111,22 0.896,23 4.373,24 19.141,25 0.03,26 0.03,27 3.868,28 27.248,29 -1.571,30 -1.571,31 -0.458,32 4.032,33 0.719,34 33.523,35 -0.798,36 4.304,37 4.111,38 51.099,39 3.553,41 16.274,42 -0.656,43 -0.656,44 4.013,45 3.926,46 138.723,47 2.317,48 3.52,49 1.181,50 1.672,51 3.044,52 0.295,53 3.331,54 3.916,55 4.053,56 357.34,57 4.733,58 0.119,59 3.366,60 2.703,61 46.429,62 0.318,63 3.395,64 4.928,65 31.723,66 1.944,67 19.11,68 4.731,69 2.98,70 8.45,71 0.065,72 0.065,73 4.559,74 2.447,75 0.122,76 4.908,77 2,78 169.271,79 202.574,80 13.497,81 48,82 0.269,83 4.686,84 11.263,85 18.747,86 18.747,87 18.747,88 18.747,89 18.747,90 2.645,91 6.831,92 19.761,93 1.317,94 254.084,95 46,97 208.084,98 8.319,99 1.386,100 0.154,101 26.306,102 140.664,103 20.297,104 1.3,105 4.85,106 1.181,107 0.225,108 208.084,109 8.217,110 1360,111 1.513,112 2.687,113 0.218,114 4.748,115 110.606,116 521.037,117 18069.2,118 1.71,119 9500,120 6.25,121 12.09,122 0.16,123 3.907,124 7.843,125 666,126 3.084,127 19.985,128 3.374,129 1.38,131 6.045,132 2.34,133 2.34,134 10.359,135 4.059,136 1.317,137 1.317,138 4.777,139 5.8}
{0 CHEMBL1966808,1 0.773,2 1.107,3 162.162,4 2.489,5 1.063,6 2.482,7 1.204,8 57.413,9 0.814,10 0.886,11 2.664,12 0.548,13 0.754,14 2.737,15 1.034,16 0.867,17 1.23,18 4.145,19 4.442,20 -0.642,21 5.606,22 0.309,23 4.298,24 16.479,25 -0.665,26 -0.665,27 3.781,28 15.94,29 -2.062,30 -2.062,31 -0.682,32 3.858,33 0.5,34 26.176,35 -0.908,36 5.209,37 5.501,38 40.282,39 3.387,40 1,41 14.151,42 -0.756,43 -0.756,44 4.111,45 3.753,46 142.117,47 2.327,48 3.362,49 1.181,50 1.399,51 3.14,52 0.17,53 3.153,54 3.832,55 3.909,56 252.04,57 4.465,58 0.119,59 3.222,60 2.526,61 36.447,62 -0.612,63 3.262,64 4.497,65 25.116,66 1.931,67 16.512,68 4.481,69 3.057,70 7.621,71 -1.54,72 -1.54,73 5.561,74 2.375,75 0.125,76 4.646,77 1.986,78 160.117,79 166.117,80 11.31,81 40,82 0.262,83 4.507,84 9.406,85 16.085,86 16.085,87 16.085,88 16.085,89 16.085,90 2.4,91 6.093,92 18.898,93 1.317,94 186.117,95 36,97 170.117,98 7.765,99 1.12,100 0.16,101 16.628,102 104.395,103 13.381,104 1.258,105 4.693,106 1.147,107 0.23,108 170.117,109 7.444,110 797.609,111 1.427,112 2.614,113 0.024,114 4.299,115 100.042,116 335.659,117 8525.64,118 1.423,119 5682,120 4.861,121 11.994,122 0.175,123 3.546,124 6.717,125 444,126 3.032,127 15.389,128 3.191,129 1.407,131 5.597,132 2.632,133 2.632,134 8.516,135 3.924,136 1.341,137 1.341,138 4.495,139 5.8}
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{0 CHEMBL1967116,1 1.075,2 1.43,3 142.688,4 2.926,5 1.396,6 2.935,7 1.529,8 160.079,9 1.136,10 1.237,11 3.13,12 0.669,13 2.261,14 3.219,15 1.34,16 1.276,17 1.526,18 4.157,19 4.748,20 0.686,21 5.421,22 1.673,23 4.595,24 23.163,25 0.806,26 0.806,27 4.086,28 35.313,29 1.653,30 1.653,31 0.6,32 4.243,33 2.151,34 39.228,35 0.988,36 5.069,37 5.342,38 61.441,39 3.742,40 1,41 18.956,42 0.675,43 0.675,44 4.139,45 4.123,46 213.445,47 2.783,48 3.708,49 1.526,50 1.776,51 3.324,52 1.577,53 3.442,54 4.142,55 4.238,56 383.74,57 4.89,58 0.087,59 3.661,60 3.414,61 55.083,62 0.697,63 3.655,64 5.085,65 37.245,66 2.321,67 22.744,68 4.979,69 3.274,70 10.334,71 2.058,72 2.058,73 6.383,74 3.032,75 0.09,76 5.088,77 2.682,78 267.71,79 291.71,80 15.974,81 59,82 0.19,83 4.786,84 13.003,85 22.325,86 22.325,87 22.325,88 22.325,89 22.325,90 3.268,91 8.297,92 24.967,93 1.742,94 317.975,95 55,97 298.465,98 8.757,99 1.459,100 0.116,101 39.743,102 177.318,103 21.468,104 1.564,105 4.954,106 1.387,107 0.2,108 296.465,109 9.934,110 2078.24,111 1.722,112 2.956,113 0.301,114 4.88,115 160.465,116 531.633,117 31831.2,118 1.8,119 17373,120 7.083,121 18.97,122 0.128,123 4.469,124 10.517,125 1015,126 3.371,127 22.949,128 3.532,129 2.136,131 7.991,132 2.733,133 2.733,134 12.131,135 4.26,136 1.848,137 1.848,138 5.013,139 7.6}
{0 CHEMBL1967302,1 0.932,2 1.274,3 256.749,4 2.801,5 1.263,6 2.808,7 1.616,8 143.43,9 0.98,10 1.049,11 2.937,12 0.723,13 1.688,14 3.007,15 1.188,16 1.165,17 1.61,18 4.166,19 4.727,20 0.449,21 4.97,22 1.407,23 4.582,24 21.32,25 0.499,26 0.499,27 4.029,28 26.614,29 1.072,30 1.072,31 0.397,32 4.184,33 1.643,34 35.784,35 0.489,36 4.836,37 4.898,38 58.149,39 3.652,40 1,41 17.922,42 0.409,43 0.409,44 4.132,45 4.068,46 200.718,47 2.518,48 3.637,49 1.572,50 1.807,51 3.412,52 1.378,53 3.402,54 4.066,55 4.153,56 350.9,57 4.872,58 0.089,59 3.476,60 3.161,61 52.014,62 0.657,63 3.48,64 5.024,65 34.256,66 2.181,67 20.896,68 4.859,69 3.357,70 9.861,71 1.158,72 1.158,73 5.398,74 3.001,75 0.09,76 5.104,77 2.508,78 260.423,79 286.423,80 14.653,81 56,82 0.192,83 4.84,84 12.155,85 20.618,86 20.618,87 20.618,88 20.618,89 20.618,90 3.019,91 7.97,92 23.463,93 1.501,94 296.423,95 52,97 288.423,98 8.482,99 1.612,100 0.119,101 30.009,102 157.086,103 18.859,104 1.594,105 5.029,106 1.285,107 0.206,108 288.423,109 9.661,110 1677.08,111 1.794,112 2.811,113 0.256,114 4.792,115 147.207,116 475.282,117 24318.1,118 1.808,119 14372,120 6.444,121 18.192,122 0.133,123 4.35,124 9.117,125 895,126 3.227,127 20.501,128 3.44,129 1.794,131 7.859,132 2.784,133 2.784,134 11.077,135 4.166,136 1.546,137 1.546,138 4.883,139 5.8}
{0 CHEMBL1967531,1 0.821,2 1.107,3 112.001,4 2.715,5 1.062,6 2.735,7 1.233,8 59.466,9 0.886,10 0.886,11 2.854,12 0.317,13 1.174,14 2.925,15 1.107,16 1.162,17 1.226,18 4.11,19 4.407,20 -0.232,21 4.796,22 0.758,23 4.28,24 18.011,25 -0.238,26 -0.238,27 3.801,28 22.705,29 -0.775,30 -0.775,31 -0.309,32 3.955,33 1.042,34 29.938,35 -0.448,36 4.585,37 4.736,38 45.697,39 3.482,41 15.093,42 -0.338,43 -0.338,44 4.092,45 3.843,46 137.077,47 2.371,48 3.453,49 1.181,50 1.557,51 3.108,52 0.579,53 3.259,54 3.855,55 4.004,56 297.48,57 4.515,58 0.108,59 3.211,60 2.476,61 41.331,62 -0.18,63 3.177,64 4.694,65 28.643,66 1.918,67 18.29,68 4.65,69 3.002,70 7.905,71 -0.559,72 -0.559,73 4.771,74 2.206,75 0.111,76 4.707,77 2,78 168.375,79 188.905,80 12.704,81 44,82 0.237,83 4.487,84 10.671,85 17.861,86 17.861,87 17.861,88 17.861,89 17.861,90 2.364,91 6.38,92 19.879,93 1.361,94 219.66,95 41,97 199.66,98 8.061,99 1.372,100 0.145,101 24.769,102 129.175,103 16.64,104 1.302,105 4.662,106 1.181,107 0.224,108 197.66,109 7.672,110 1195.11,111 1.43,112 2.687,113 0.135,114 4.491,115 114.211,116 411.327,117 15364.4,118 1.592,119 9118,120 5.694,121 12.083,122 0.161,123 3.942,124 7.233,125 674,126 2.939,127 17.933,128 3.304,129 1.519,131 5.575,132 2.567,133 2.567,134 9.534,135 3.922,136 1.381,137 1.381,138 4.672,139 5.8}
{0 CHEMBL1967544,1 1.278,2 1.533,4 3.183,5 1.516,6 3.193,7 1.575,9 1.293,10 1.35,11 3.359,12 0.868,13 2.488,14 3.397,15 1.485,16 1.417,17 1.611,18 4.189,19 4.923,20 1.033,21 5.468,22 2.042,23 4.762,24 25.494,25 1.094,26 1.094,27 4.204,28 46.237,29 1.926,30 1.926,31 0.776,32 4.351,33 2.18,34 43.961,35 1.069,36 5.22,37 5.46,38 70.398,39 3.859,41 21.004,42 0.801,43 0.801,44 4.19,45 4.242,46 216.692,47 2.618,48 3.814,49 1.622,50 1.808,51 3.481,52 1.774,53 3.531,54 4.262,55 4.321,56 433.43,57 5.17,58 0.083,59 3.611,60 3.475,61 62.96,62 1.008,63 3.655,64 5.432,65 41.518,66 2.362,67 24.841,68 5.093,69 3.419,70 11.599,71 2.488,72 2.488,73 8.112,74 3.56,75 0.09,76 5.349,77 2.614,78 292.25,79 344.304,80 17.396,81 67,82 0.195,83 5,84 14.291,85 24.402,86 24.402,87 24.402,88 24.402,89 24.402,90 3.406,91 9.282,92 26.641,93 1.614,94 376.569,95 63,96 3.328,97 351.059,98 9.063,99 1.628,100 0.113,101 36.093,102 193.457,103 24.051,104 1.761,105 5.165,106 1.521,107 0.194,108 351.059,109 11.129,110 2353.02,111 1.774,112 3.225,113 0.503,114 5.242,115 180.117,116 600.669,117 35871.4,118 1.794,119 18522,120 7.861,121 24.055,122 0.125,123 4.409,124 11.883,125 972,126 3.433,127 25.286,128 3.616,129 1.618,130 2,131 9.397,132 2.994,133 2.994,134 13.637,135 4.481,136 1.618,137 1.618,138 5.142,139 5.8}
{0 CHEMBL1967560,1 1.188,2 1.614,4 2.983,5 1.622,6 2.978,7 1.698,8 95.957,9 1.274,10 1.331,11 3.241,12 1.014,13 2,14 3.314,15 1.57,16 1.571,17 1.727,18 4.09,19 5.239,20 0.983,21 5.568,22 1.984,23 5.026,24 27.473,25 1,26 1,27 4.244,28 52.78,29 1.372,30 1.372,31 0.638,32 4.568,33 1.992,34 47.83,35 0.786,36 5.242,37 5.481,38 86.843,39 3.864,41 24.229,42 0.66,43 0.66,44 4.038,45 4.426,46 267.823,47 2.977,48 3.849,49 1.758,50 1.793,51 3.486,52 1.639,53 3.564,54 4.283,55 4.37,56 485.31,57 5.401,58 0.075,59 3.645,60 3.414,61 76.05,62 1.077,63 3.64,64 5.64,65 45.218,66 2.429,67 26.57,68 5.171,69 3.419,70 13.302,71 2.275,72 2.275,73 7.83,74 4.918,75 0.08,76 5.648,77 2.922,78 376.539,79 413.823,80 18.389,81 80,82 0.169,83 5.3,84 14.896,85 25.825,86 25.825,87 25.825,88 25.825,89 25.825,90 3.31,91 10.759,92 27.857,93 1.907,94 474.842,95 76,96 7.711,97 413.823,98 9.189,99 1.507,100 0.103,101 45.526,102 211.289,103 26.975,104 1.786,105 5.536,106 1.61,107 0.189,108 413.823,109 12.943,110 2790.61,111 1.86,112 3.054,113 0.745,114 5.403,115 191.421,116 689.546,117 46312.4,118 1.764,119 23285,120 8.417,121 34.888,122 0.108,123 4.677,124 14.7,125 1181,126 3.512,127 26.811,128 3.668,129 2.306,130 4,131 10.218,132 2.725,133 2.725,134 14.167,135 4.468,136 2.038,137 2.038,138 5.218,139 5.3}
{0 CHEMBL1967564,1 0.402,2 0.995,3 53.293,4 2.234,5 0.976,6 2.236,7 1.122,8 31.328,9 0.505,10 0.74,11 2.463,12 0.308,13 0.453,14 2.546,15 0.808,16 0.84,17 1.148,18 4.197,19 4.284,20 -1.033,21 4.431,22 -0.055,23 4.113,24 13.321,25 -1.043,26 -1.043,27 3.499,28 13.159,29 -3.502,30 -3.502,31 -1.372,32 3.743,33 0.028,34 22.284,35 -1.827,36 4.489,37 4.575,38 37.279,39 3.163,41 11.266,42 -1.397,43 -1.397,44 4.159,45 3.614,46 119.594,47 2.016,48 3.153,49 1.186,50 1.582,51 3.05,52 -0.41,53 3.062,54 3.534,55 3.693,56 215.29,57 4.261,58 0.146,59 3.017,60 1.865,61 33.153,62 -1.152,63 3.003,64 4.313,65 21.434,66 1.535,67 13.244,68 4.189,69 2.985,70 6.238,71 -2.806,72 -2.806,73 2.988,74 2.158,75 0.15,76 4.493,77 1.432,78 144.1,79 155.71,80 9.275,81 35,82 0.314,83 4.324,84 7.893,85 13.093,86 13.093,87 13.093,88 13.093,89 13.093,90 1.41,91 5.105,92 14.216,93 1.011,94 166.465,95 33,97 157.71,98 7.183,99 1.239,100 0.196,101 14.022,102 81.722,103 11.969,104 1.357,105 4.544,106 0.973,107 0.265,108 157.71,109 6.097,110 537.149,111 1.484,112 2.266,114 4.104,115 80.711,116 311.834,117 5150.03,118 1.604,119 3190,120 4.25,121 11.549,122 0.221,123 3.177,124 6.233,125 340,126 2.549,127 13.242,128 3.011,129 1.116,131 4.666,132 2.326,133 2.326,134 6.995,135 3.564,136 1.011,137 1.011,138 4.214,139 5.8}
{0 CHEMBL1967878,1 1.071,2 1.491,4 2.91,5 1.467,6 2.941,7 1.508,8 172.678,9 1.174,10 1.22,11 3.111,12 0.825,13 2,14 3.206,15 1.476,16 1.513,17 1.498,18 4.108,19 5.032,20 0.652,21 5.313,22 1.65,23 4.834,24 23.691,25 0.656,26 0.656,27 4.147,28 41.658,29 0.927,30 0.927,31 0.336,32 4.391,33 1.613,34 40.569,35 0.446,36 4.99,37 5.187,38 72.02,39 3.738,41 20.253,42 0.378,43 0.378,44 4.066,45 4.249,46 243.111,47 2.881,48 3.723,49 1.549,50 1.831,51 3.335,52 1.281,53 3.412,54 4.188,55 4.235,56 410.9,57 5.206,58 0.088,59 3.562,60 3.273,61 63.156,62 0.72,63 3.555,64 5.435,65 38.569,66 2.277,67 22.605,68 4.969,69 3.248,70 11.288,71 1.628,72 1.628,73 7.132,74 3.784,75 0.089,76 5.471,77 2.679,78 319.549,79 339.059,80 15.885,81 67,82 0.187,83 5.133,84 12.68,85 22.118,86 22.118,87 22.118,88 22.118,89 22.118,90 3.126,91 9.07,92 24.679,93 1.822,94 376.569,95 63,96 4.728,97 343.059,98 8.77,99 1.617,100 0.116,101 35.609,102 176.629,103 22.269,104 1.721,105 5.361,106 1.532,107 0.201,108 343.059,109 11.019,110 2049.49,111 1.772,112 2.954,113 0.605,114 5.169,115 162.465,116 566.251,117 31126.3,118 1.844,119 16999,120 7.028,121 27.064,122 0.118,123 4.422,124 11.526,125 981,126 3.277,127 23.112,128 3.532,129 2.274,130 2,131 9.382,132 2.863,133 2.863,134 12.314,135 4.341,136 1.92,137 1.92,138 5.017,139 7.6}
{0 CHEMBL1967887,1 0.594,2 1.015,3 74.537,4 2.461,5 0.984,6 2.448,7 1.175,8 43.454,9 0.699,10 0.778,11 2.663,12 0.254,13 0.586,14 2.748,15 1.002,16 1.024,17 1.172,18 4.158,19 4.355,20 -0.862,21 4.407,22 0.097,23 4.183,24 14.052,25 -0.881,26 -0.881,27 3.556,28 15.639,29 -2.664,30 -2.664,31 -1.123,32 3.827,33 0.192,34 24.046,35 -1.448,36 4.357,37 4.419,38 40.694,39 3.222,40 1,41 11.958,42 -1.168,43 -1.168,44 4.121,45 3.697,46 134.201,47 2.036,48 3.212,49 1.149,50 1.73,51 2.975,52 -0.206,53 3.038,54 3.584,55 3.741,56 232.59,57 4.356,58 0.139,59 3.23,60 1.792,61 36.036,62 -1.073,63 3.231,64 4.501,65 22.961,66 1.494,67 14.096,68 4.266,69 2.883,70 6.412,71 -2.54,72 -2.54,73 3.178,74 2.053,75 0.141,76 4.58,77 1.641,78 165.362,79 175.362,80 9.775,81 38,82 0.296,83 4.35,84 8.337,85 13.801,86 13.801,87 13.801,88 13.801,89 13.801,90 1.676,91 5.203,92 14.909,93 1.029,94 186.117,95 36,97 175.362,98 7.329,99 1.394,100 0.186,101 14.19,102 88.406,103 12.943,104 1.237,105 4.546,106 1.051,107 0.259,108 175.362,109 6.243,110 614.456,111 1.695,112 2.536,114 4.266,115 86.439,116 337.644,117 6222.56,118 1.733,119 3787,120 4.5,121 13.29,122 0.207,123 3.294,124 6.65,125 373,126 2.535,127 13.949,128 3.058,129 1.101,131 4.913,132 2.342,133 2.342,134 7.325,135 3.666,136 1.082,137 1.082,138 4.291,139 5.8}
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{0 CHEMBL1968127,1 0.955,2 1.39,4 2.715,5 1.375,6 2.735,7 1.632,8 138.31,9 1.045,10 1.141,11 2.874,12 0.644,13 1.697,14 3.009,15 1.308,16 1.408,17 1.558,18 4.205,19 4.85,20 0.227,21 5.257,22 1.19,23 4.65,24 21.102,25 0.24,26 0.24,27 3.972,28 27.827,29 -0.409,30 -0.409,31 -0.16,32 4.242,33 1.148,34 36.04,35 -0.23,36 5.011,37 5.252,38 62.691,39 3.593,40 1,41 17.407,42 -0.181,43 -0.181,44 4.17,45 4.112,46 205.61,47 2.423,48 3.589,49 1.417,50 1.736,51 3.253,52 0.734,53 3.455,54 3.99,55 4.132,56 353.22,57 5.076,58 0.096,59 3.581,60 3.243,61 55.287,62 0.2,63 3.556,64 5.092,65 34.494,66 2.112,67 20.303,68 4.82,69 3.207,70 9.573,71 0.673,72 0.673,73 4.747,74 3.102,75 0.101,76 5.381,77 2.353,78 259.346,79 270.955,80 14.321,81 58,82 0.213,83 4.845,84 11.527,85 19.809,86 19.809,87 19.809,88 19.809,89 19.809,90 2.742,91 7.745,92 21.671,93 1.403,94 317.975,95 55,96 2.163,97 270.955,98 8.524,99 1.417,100 0.13,101 30.258,102 153.401,103 20.517,104 1.6,105 5.038,106 1.417,107 0.215,108 270.955,109 9.189,110 1581.57,111 1.755,112 2.721,113 0.469,114 4.888,115 139.207,116 522.077,117 21728.6,118 1.734,119 11293,120 6.389,121 22.294,122 0.144,123 4.049,124 11.226,125 739,126 3.203,127 21.303,128 3.441,129 1.524,130 1,131 7.445,132 2.658,133 2.658,134 11.063,135 4.138,136 1.459,137 1.459,138 4.875,139 5.8}
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{0 CHEMBL1968245,1 0.821,2 1.26,3 130.82,4 2.715,5 1.244,6 2.735,7 1.404,8 70.116,9 0.886,10 1.035,11 2.878,12 0.693,13 1.773,14 2.96,15 1.151,16 1.181,17 1.412,18 4.164,19 4.645,20 0.477,21 4.585,22 1.439,23 4.498,24 20.428,25 0.531,26 0.531,27 3.94,28 26.589,29 -0.048,30 -0.048,31 -0.015,32 4.127,33 1.241,34 35.188,35 -0.025,36 4.443,37 4.533,38 55.883,39 3.613,40 1,41 17.14,42 -0.021,43 -0.021,44 4.129,45 4.012,46 187.316,47 2.433,48 3.588,49 1.401,50 1.854,51 3.319,52 0.831,53 3.377,54 3.987,55 4.108,56 352.38,57 4.781,58 0.095,59 3.478,60 3.051,61 50.011,62 0.414,63 3.482,64 4.919,65 33.369,66 2.031,67 20.374,68 4.812,69 3.271,70 9.293,71 1.23,72 1.23,73 4.896,74 2.813,75 0.096,76 5.013,77 2.372,78 241.786,79 264.193,80 14.187,81 53,82 0.204,83 4.743,84 12.032,85 19.93,86 19.93,87 19.93,88 19.93,89 19.93,90 2.61,91 7.523,92 21.959,93 1.399,94 282.193,95 50,97 268.193,98 8.39,99 1.626,100 0.127,101 30.754,102 150.787,103 19.496,104 1.579,105 4.938,106 1.276,107 0.213,108 268.193,109 9.062,110 1564.22,111 1.836,112 2.87,113 0.218,114 4.69,115 136.881,116 496.474,117 22458.8,118 1.852,119 12707,120 6.417,121 16.834,122 0.141,123 4.282,124 8.71,125 836,126 3.134,127 20.054,128 3.407,129 1.546,131 7.032,132 2.534,133 2.534,134 10.651,135 4.091,136 1.508,137 1.508,138 4.831,139 5.8}
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{0 CHEMBL1968406,1 0.839,2 1.29,3 175.95,4 2.794,5 1.284,6 2.813,7 1.474,8 46.988,9 0.893,10 1.103,11 3,12 0.845,13 1.584,14 3.103,15 1.187,16 1.162,17 1.46,18 4.157,19 4.707,20 0.43,21 5.58,22 1.43,23 4.555,24 21.37,25 0.431,26 0.431,27 4.037,28 30.624,29 0.196,30 0.196,31 0.066,32 4.166,33 1.311,34 36.222,35 0.082,36 5.17,37 5.485,38 56.943,39 3.684,40 1,41 17.885,42 0.07,43 0.07,44 4.142,45 4.048,46 194.358,47 2.724,48 3.643,49 1.372,50 1.721,51 3.353,52 1.017,53 3.414,54 4.109,55 4.153,56 354.32,57 4.843,58 0.096,59 3.347,60 3.001,61 50.982,62 0.503,63 3.34,64 5.066,65 34.223,66 2.145,67 21.047,68 4.848,69 3.299,70 9.924,71 0.627,72 0.627,73 6.595,74 3.192,75 0.099,76 5.034,77 2.673,78 237.378,79 266.539,80 14.619,81 55,82 0.209,83 4.792,84 11.997,85 20.627,86 20.627,87 20.627,88 20.627,89 20.627,90 2.693,91 7.958,92 23.175,93 1.716,94 289.294,95 51,97 274.539,98 8.486,99 1.512,100 0.127,101 30.72,102 154.987,103 19.164,104 1.69,105 4.974,106 1.227,107 0.208,108 272.539,109 9.613,110 1632.39,111 1.739,112 2.935,113 0.239,114 4.849,115 145.207,116 479.51,117 22759.4,118 1.718,119 13044,120 6.5,121 18.499,122 0.14,123 4.19,124 9.483,125 837,126 3.206,127 20.665,128 3.441,129 1.971,131 8.062,132 2.726,133 2.726,134 11.077,135 4.249,136 1.736,137 1.736,138 4.878,139 5.8}
{0 CHEMBL1968590,1 0.833,2 1.21,3 190.082,4 2.74,5 1.209,6 2.755,7 1.329,8 104.697,9 0.899,10 0.905,11 2.897,12 0.655,13 1.311,14 2.976,15 1.133,16 1.154,17 1.381,18 4.155,19 4.462,20 -0.147,21 5.283,22 0.828,23 4.324,24 18.252,25 -0.152,26 -0.152,27 3.866,28 22.374,29 -1.257,30 -1.257,31 -0.441,32 3.957,33 0.918,34 31.341,35 -0.611,36 4.949,37 5.209,38 46.534,39 3.558,40 2,41 15.056,42 -0.469,43 -0.469,44 4.145,45 3.856,46 169.051,47 2.451,48 3.49,49 1.317,50 1.67,51 3.287,52 0.487,53 3.273,54 3.956,55 4,56 307.63,57 4.528,58 0.11,59 3.324,60 2.648,61 42.189,62 -0.248,63 3.348,64 4.692,65 29.335,66 2.071,67 18.184,68 4.624,69 3.215,70 8.065,71 -0.314,72 -0.314,73 6.099,74 2.349,75 0.114,76 4.675,77 2.055,78 208.213,79 214.968,80 12.563,81 45,82 0.24,83 4.464,84 10.12,85 17.61,86 17.61,87 17.61,88 17.61,89 17.61,90 2.294,91 6.353,92 19.304,93 1.403,94 226.477,95 42,97 214.968,98 8.098,99 1.446,100 0.147,101 24.272,102 126.096,103 17.255,104 1.539,105 4.606,106 1.169,107 0.228,108 214.968,109 7.638,110 1133.68,111 1.672,112 2.799,113 0.125,114 4.508,115 122.211,116 430.23,117 13767.3,118 1.623,119 7741,120 5.667,121 15.042,122 0.163,123 3.747,124 8.317,125 591,126 3.125,127 18.259,128 3.305,129 1.52,131 6.636,132 2.588,133 2.588,134 9.559,135 4.04,136 1.516,137 1.516,138 4.666,139 5.8}
{0 CHEMBL1968791,1 1.137,2 1.644,3 144.402,4 2.868,5 1.621,6 2.869,7 1.746,8 174.317,9 1.185,10 1.408,11 3.071,12 1.038,13 2.226,14 3.169,15 1.425,16 1.449,17 1.748,18 4.225,19 5.069,20 1,21 5.749,22 2,23 4.881,24 25.842,25 1,26 1,27 4.218,28 41.784,29 1.999,30 1.999,31 0.697,32 4.445,33 1.942,34 45.143,35 0.875,36 5.318,37 5.635,38 76.514,39 3.872,40 1,41 21.629,42 0.729,43 0.729,44 4.186,45 4.315,46 241.205,47 2.657,48 3.836,49 1.747,50 1.884,51 3.483,52 1.688,53 3.73,54 4.283,55 4.305,56 429.89,57 5.207,58 0.083,59 3.713,60 3.377,61 67.207,62 0.956,63 3.708,64 5.456,65 42.197,66 2.361,67 24.77,68 5.084,69 3.408,70 12.645,71 2.136,72 2.136,73 7.72,74 4.346,75 0.086,76 5.453,77 2.522,78 321.153,79 359.193,80 17.17,81 73,82 0.182,83 5.131,84 14.424,85 24.292,86 24.292,87 24.292,88 24.292,89 24.292,90 3.247,91 10.19,92 27.739,93 1.616,94 413.947,95 68,96 2.633,97 365.193,98 8.96,99 1.688,100 0.111,101 45.022,102 188.952,103 22.573,104 1.806,105 5.359,106 1.671,107 0.19,108 365.193,109 12.341,110 2299.14,111 1.86,112 2.933,113 0.606,114 5.223,115 169.525,116 595.346,117 35607.4,118 1.898,119 19782,120 7.556,121 28.837,122 0.121,123 4.682,124 12.3,125 1058,126 3.464,127 23.777,128 3.589,129 1.87,130 1,131 10.782,132 2.69,133 2.69,134 12.98,135 4.418,136 1.709,137 1.709,138 5.09,139 5.8}
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{0 CHEMBL1969042,1 0.821,2 1.107,4 2.715,5 1.066,6 2.735,7 1.162,8 75.579,9 0.886,10 0.886,11 2.854,12 0.289,13 1.204,14 2.925,15 1.107,16 1.181,17 1.127,18 4.113,19 4.443,20 -0.088,21 5.069,22 0.846,23 4.33,24 18.524,25 -0.095,26 -0.095,27 3.851,28 19.402,29 -0.598,30 -0.598,31 -0.25,32 4.015,33 1.062,34 30.71,35 -0.343,36 4.804,37 5.056,38 49.03,39 3.491,41 15.484,42 -0.271,43 -0.271,44 4.077,45 3.916,46 133.156,47 2.222,48 3.493,49 1.181,50 1.62,51 2.945,52 0.664,53 3.062,54 3.867,55 4.038,56 309.15,57 4.64,58 0.106,59 3.52,60 2.568,61 44.473,62 0.041,63 3.494,64 4.8,65 29.896,66 2.072,67 18.554,68 4.694,69 2.912,70 8.239,71 -0.21,72 -0.21,73 4.2,74 2.354,75 0.108,76 4.845,77 2,78 157.421,79 184.441,80 13.097,81 47,82 0.23,83 4.603,84 10.76,85 18.309,86 18.309,87 18.309,88 18.309,89 18.309,90 2.333,91 6.713,92 20.285,93 1.205,94 240.215,95 44,97 209.46,98 8.238,99 1.357,100 0.141,101 24.798,102 132.084,103 17.305,104 1.315,105 4.768,106 1.181,107 0.222,108 200.705,109 8.092,110 1198.12,111 1.493,112 2.687,113 0.218,114 4.589,115 116.382,116 451.753,117 15174.1,118 1.669,119 8457,120 5.861,121 11.505,122 0.153,123 3.863,124 7.55,125 577,126 3.14,127 18.803,128 3.341,129 1.363,131 5.984,132 2.598,133 2.598,134 9.896,135 3.953,136 1.269,137 1.269,138 4.721,139 5.8}
{0 CHEMBL1969049,1 0.821,2 1.281,4 2.715,5 1.281,6 2.735,7 1.443,9 0.886,10 1.034,11 2.854,12 0.616,13 0.842,14 2.925,15 1.107,16 1.181,17 1.482,18 4.055,19 4.606,20 -0.485,21 4.382,22 0.514,23 4.438,24 18.31,25 -0.489,26 -0.489,27 3.832,28 28.264,29 -1.456,30 -1.456,31 -0.652,32 4.055,33 0.755,34 32.534,35 -0.876,36 4.357,37 4.357,38 53.567,39 3.529,41 15.321,42 -0.657,43 -0.657,44 4.03,45 3.941,46 159.521,47 2.262,48 3.494,49 1.551,50 1.702,51 3.279,52 0.353,53 3.258,54 3.886,55 3.984,56 332.56,57 4.763,58 0.109,59 3.327,60 2.495,61 47.694,62 -0.379,63 3.32,64 5.056,65 30.74,66 2.055,67 17.866,68 4.628,69 3.202,70 8.45,71 -1.201,72 -1.201,73 4.421,74 2.772,75 0.109,76 4.966,77 2.057,78 217.284,79 243.814,80 12.58,81 50,82 0.231,83 4.644,84 10.424,85 17.577,86 17.577,87 17.577,88 17.577,89 17.577,90 2.257,91 6.831,92 18.493,93 1.254,94 268.078,95 48,97 245.814,98 8.078,99 1.408,100 0.145,101 24.533,102 128.602,103 18,104 1.564,105 4.823,106 1.248,107 0.233,108 245.814,109 8.114,110 1184.61,111 1.725,112 2.687,113 0.218,114 4.823,115 118.211,116 475.925,117 15065.8,118 1.692,119 8214,120 5.861,121 17.637,122 0.158,123 3.805,124 9.533,125 637,126 3.075,127 18.518,128 3.304,129 1.575,131 7.236,132 2.651,133 2.651,134 9.578,135 4.042,136 1.266,137 1.266,138 4.672,139 5.8}
{0 CHEMBL1969102,1 1.075,2 1.429,3 137.76,4 2.844,5 1.396,6 2.858,7 1.527,8 154.173,9 1.136,10 1.218,11 3.029,12 0.614,13 2.173,14 3.119,15 1.34,16 1.275,17 1.52,18 4.152,19 4.671,20 0.608,21 5.347,22 1.586,23 4.532,24 22.382,25 0.721,26 0.721,27 4.05,28 33.397,29 1.372,30 1.372,31 0.572,32 4.193,33 2.118,34 37.466,35 0.927,36 5.024,37 5.268,38 58.026,39 3.705,40 1,41 18.533,42 0.618,43 0.618,44 4.136,45 4.075,46 199.039,47 2.755,48 3.675,49 1.428,50 1.635,51 3.32,52 1.547,53 3.44,54 4.107,55 4.21,56 366.44,57 4.824,58 0.089,59 3.629,60 3.264,61 52.2,62 0.624,63 3.624,64 5.037,65 35.718,66 2.289,67 22.275,68 4.943,69 3.267,70 9.953,71 1.794,72 1.794,73 6.177,74 2.858,75 0.092,76 5.017,77 2.596,78 250.913,79 274.913,80 15.581,81 56,82 0.195,83 4.732,84 12.867,85 21.878,86 21.878,87 21.878,88 21.878,89 21.878,90 3,91 8.012,92 24.561,93 1.739,94 296.423,95 52,97 281.668,98 8.667,99 1.445,100 0.119,101 37.156,102 170.204,103 20.522,104 1.552,105 4.899,106 1.38,107 0.202,108 279.668,109 9.618,110 1930.7,111 1.574,112 2.94,113 0.243,114 4.837,115 154,116 502.81,117 28914.8,118 1.674,119 16136,120 6.917,121 16.498,122 0.132,123 4.416,124 9.567,125 950,126 3.329,127 22.079,128 3.502,129 2.042,131 7.474,132 2.726,133 2.726,134 11.753,135 4.211,136 1.767,137 1.767,138 4.969,139 7.4}
{0 CHEMBL1969126,1 0.805,2 1.308,3 94.582,4 2.734,5 1.301,6 2.733,7 1.39,8 169.927,9 0.934,10 1.038,11 2.878,12 0.469,13 1.674,14 2.959,15 1.281,16 1.213,17 1.347,18 4.237,19 4.583,20 0.213,21 5.656,22 1.184,23 4.438,24 19.296,25 0.222,26 0.222,27 3.891,28 16.244,29 -0.116,30 -0.116,31 -0.042,32 4.03,33 1.285,34 29.926,35 -0.061,36 5.242,37 5.572,38 48.872,39 3.467,40 2,41 16.112,42 -0.047,43 -0.047,44 4.201,45 3.925,46 166.168,47 2.419,48 3.493,49 1.353,50 1.685,51 3.154,52 0.868,53 3.271,54 3.865,55 4.083,56 287.79,57 4.681,58 0.1,59 3.433,60 3.142,61 44.163,62 0.235,63 3.441,64 4.793,65 29.749,66 2.147,67 19.329,68 4.733,69 3.093,70 8.621,71 0.619,72 0.619,73 4.682,74 2.661,75 0.105,76 4.883,77 2.384,78 196.31,79 213.82,80 13.525,81 47,82 0.22,83 4.629,84 10.767,85 18.947,86 18.947,87 18.947,88 18.947,89 18.947,90 2.742,91 6.97,92 21.501,93 1.401,94 233.329,95 43,97 215.82,98 8.353,99 1.453,100 0.135,101 22.102,102 136.75,103 17.086,104 1.417,105 4.813,106 1.267,107 0.216,108 215.82,109 8.434,110 1255.93,111 1.619,112 2.762,113 0.266,114 4.621,115 132.606,116 402.734,117 15753.7,118 1.717,119 9067,120 5.917,121 12.599,122 0.149,123 3.838,124 8.702,125 575,126 3.206,127 19.413,128 3.376,129 1.466,131 6.016,132 2.823,133 2.823,134 10.379,135 3.949,136 1.461,137 1.461,138 4.78,139 5.8}
{0 CHEMBL1969156,2 0.841,3 51.981,4 1.917,5 0.819,6 1.884,7 1.062,8 26.971,9 0.141,10 0.556,11 2.2,12 0.159,13 -0.125,14 2.311,15 0.538,16 0.565,17 1.107,18 4.182,19 3.995,20 -1.423,21 3.807,22 -0.601,23 3.839,24 11.117,25 -1.531,26 -1.531,27 3.315,28 9.841,29 -4.789,30 -4.789,31 -1.739,32 3.529,33 -0.414,34 18.307,35 -2.598,36 4.094,37 3.989,38 29.239,39 2.972,40 1,41 9.231,42 -1.883,43 -1.883,44 4.131,45 3.401,46 76.702,47 1.646,48 2.974,49 1.14,50 1.238,51 2.847,52 -0.955,53 2.854,54 3.333,55 3.533,56 171.9,57 3.994,58 0.168,59 2.89,60 1.257,61 26.058,62 -1.877,63 2.869,64 4.113,65 17.666,66 1.285,67 11.369,68 3.954,69 2.779,70 4.93,71 -4.447,72 -4.447,73 2.502,74 1.418,75 0.179,76 4.21,77 0.622,78 95.947,79 109.457,80 7.86,81 28,82 0.382,83 4.008,84 6.658,85 11.121,86 11.121,87 11.121,88 11.121,89 11.121,90 1.04,91 4.032,92 12.425,93 0.662,94 122.211,95 26,97 112.211,98 6.714,99 0.876,100 0.231,101 7.875,102 62.635,103 9.218,104 1.181,105 4.208,106 0.837,107 0.284,108 112.211,109 4.842,110 327.127,111 1.192,112 2.1,114 3.878,115 60,116 246.433,117 2739.22,118 1.245,119 1923,120 3.528,121 7.548,122 0.259,123 2.872,124 4.6,125 219,126 2.298,127 10.958,128 2.856,129 0.749,131 3.166,132 2,133 2,134 5.839,135 3.38,136 0.705,137 0.705,138 3.976,139 4.8}
{0 CHEMBL1969190,1 0.821,2 1.158,3 132.843,4 2.753,5 1.205,6 2.735,7 1.469,8 70.502,9 0.886,10 0.93,11 2.937,12 0.347,13 1.317,14 2.985,15 1.107,16 1.089,17 1.472,18 4.134,19 4.553,20 0.077,21 5.017,22 1.023,23 4.434,24 20.088,25 0.082,26 0.082,27 3.889,28 21.684,29 -0.515,30 -0.515,31 -0.201,32 4.077,33 1.187,34 31.591,35 -0.266,36 4.787,37 4.92,38 52.207,39 3.497,40 1,41 17.316,42 -0.208,43 -0.208,44 4.123,45 3.978,46 174.27,47 2.713,48 3.532,49 1.372,50 1.594,51 3.268,52 0.779,53 3.395,54 3.861,55 4.134,56 332.29,57 4.705,58 0.098,59 3.212,60 2.922,61 47.6,62 0.338,63 3.173,64 4.902,65 31.684,66 2.169,67 20.58,68 4.828,69 3.203,70 8.619,71 0.202,72 0.202,73 4.407,74 2.426,75 0.099,76 4.87,77 2.467,78 200.045,79 224.574,80 14.44,81 49,82 0.211,83 4.65,84 11.663,85 20.127,86 20.127,87 20.127,88 20.127,89 20.127,90 2.57,91 7.014,92 21.789,93 1.678,94 254.084,95 46,97 231.329,98 8.482,99 1.272,100 0.129,101 30.973,102 156.34,103 19.981,104 1.408,105 4.798,106 1.181,107 0.214,108 229.329,109 8.473,110 1654.75,111 1.574,112 2.821,113 0.18,114 4.715,115 137.207,116 451.12,117 23766.2,118 1.642,119 12802,120 6.556,121 11.992,122 0.143,123 4.144,124 8.569,125 818,126 3.25,127 21.25,128 3.44,129 2.235,131 6.535,132 2.708,133 2.708,134 11.076,135 3.961,136 1.731,137 1.731,138 4.88,139 6.1}
{0 CHEMBL1969264,1 0.804,2 1.308,3 128.9,4 2.57,5 1.239,6 2.618,7 1.248,8 34.772,9 0.934,10 0.934,11 2.874,12 0.469,13 0.881,14 3.009,15 1.248,16 1.226,17 1.308,18 4.264,19 4.535,20 -0.524,21 5.407,22 0.455,23 4.368,24 16.96,25 -0.529,26 -0.529,27 3.811,28 17.838,29 -2.234,30 -2.234,31 -0.843,32 3.97,33 0.648,34 28.807,35 -1,36 5.004,37 5.318,38 47.109,39 3.435,40 1,41 13.504,42 -0.851,43 -0.851,44 4.229,45 3.847,46 145.135,47 2.354,48 3.414,49 1.417,50 1.676,51 3.112,52 0.14,53 3.191,54 3.839,55 3.925,56 273.25,57 4.734,58 0.116,59 3.355,60 2.361,61 41.92,62 -0.815,63 3.348,64 4.598,65 27.488,66 2.026,67 15.967,68 4.495,69 3.047,70 7.837,71 -1.414,72 -1.414,73 3.85,74 2.499,75 0.12,76 5.008,77 2.265,78 169.542,79 191.193,80 11.405,81 45,82 0.251,83 4.628,84 8.978,85 15.773,86 15.773,87 15.773,88 15.773,89 15.773,90 2.286,91 6.305,92 17.8,93 1.35,94 226.477,95 42,97 193.193,98 7.861,99 1.483,100 0.156,101 19.458,102 112.824,103 14.949,104 1.417,105 4.82,106 1.247,107 0.237,108 193.193,109 7.513,110 930.204,111 1.607,112 2.634,113 0.244,114 4.413,115 105.284,116 395.414,117 10588.8,118 1.691,119 6268,120 4.931,121 15.089,122 0.176,123 3.554,124 8.65,125 490,126 3.055,127 16.897,128 3.229,129 1.483,131 6.153,132 2.866,133 2.866,134 8.868,135 3.953,136 1.356,137 1.356,138 4.556,139 5.8}
{0 CHEMBL1969301,1 1.064,2 1.433,3 150.222,4 2.946,5 1.431,6 2.941,7 1.637,8 81.622,9 1.153,10 1.199,11 3.118,12 0.861,13 2.154,14 3.206,15 1.429,16 1.473,17 1.627,18 4.185,19 5.007,20 0.817,21 5.347,22 1.819,23 4.814,24 24.379,25 0.835,26 0.835,27 4.135,28 38.302,29 1.042,30 1.042,31 0.463,32 4.375,33 2,34 42.836,35 0.868,36 5.011,37 5.231,38 73.308,39 3.794,40 1,41 21.105,42 0.459,43 0.459,44 4.141,45 4.245,46 226.458,47 2.692,48 3.758,49 1.602,50 1.907,51 3.427,52 1.48,53 3.545,54 4.203,55 4.254,56 437.06,57 5.173,58 0.083,59 3.519,60 3.247,61 64.65,62 1,63 3.53,64 5.346,65 40.385,66 2.301,67 23.503,68 5.016,69 3.386,70 11.986,71 1.903,72 1.903,73 6.619,74 4.463,75 0.087,76 5.411,77 2.453,78 300.235,79 348.434,80 16.512,81 68,82 0.183,83 5.117,84 13.842,85 23.223,86 23.223,87 23.223,88 23.223,89 23.223,90 3.13,91 9.766,92 24.561,93 1.688,94 391.454,95 65,96 1.742,97 353.944,98 8.886,99 1.639,100 0.113,101 40.215,102 182.235,103 23.984,104 1.67,105 5.353,106 1.513,107 0.202,108 353.944,109 11.683,110 2142.5,111 1.942,112 3.028,113 0.649,114 5.111,115 168.974,116 619.031,117 32877.8,118 1.889,119 16386,120 7.694,121 26.506,122 0.126,123 4.407,124 12.3,125 937,126 3.314,127 24.079,128 3.561,129 2.107,130 1,131 10.293,132 2.838,133 2.838,134 12.655,135 4.347,136 1.69,137 1.69,138 5.054,139 6.7}
{0 CHEMBL1969372,1 0.821,2 1.107,3 104.661,4 2.715,5 1.091,6 2.735,7 1.402,8 53.51,9 0.878,10 0.886,11 2.854,12 0.565,13 1.182,14 2.925,15 1.089,16 1.093,17 1.394,18 4.197,19 4.583,20 -0.127,21 5.204,22 0.776,23 4.416,24 18.663,25 -0.142,26 -0.142,27 3.782,28 18.475,29 -0.376,30 -0.376,31 -0.192,32 4.036,33 0.966,34 29.995,35 -0.235,36 4.97,37 5.198,38 50.03,39 3.424,40 1,41 16.253,42 -0.214,43 -0.214,44 4.151,45 3.919,46 165.67,47 2.389,48 3.445,49 1.337,50 1.755,51 3.247,52 0.693,53 3.27,54 3.771,55 4.042,56 298.68,57 4.577,58 0.105,59 3.34,60 2.694,61 44.752,62 0.205,63 3.331,64 4.782,65 29.387,66 1.978,67 19.453,68 4.706,69 3.158,70 8.223,71 -0.324,72 -0.324,73 4.035,74 2.472,75 0.111,76 4.784,77 2.15,78 211.096,79 223.46,80 13.258,81 47,82 0.234,83 4.566,84 11.464,85 18.784,86 18.784,87 18.784,88 18.784,89 18.784,90 2.353,91 6.688,92 20.572,93 1.341,94 240.215,95 44,97 223.46,98 8.231,99 1.448,100 0.142,101 25.213,102 131.971,103 17.379,104 1.529,105 4.766,106 1.181,107 0.22,108 223.46,109 8.075,110 1210.27,111 1.742,112 2.763,113 0.18,114 4.577,115 124.382,116 426.08,117 15129.3,118 1.757,119 8297,120 6.056,121 14.881,122 0.158,123 3.869,124 8.31,125 615,126 3.062,127 18.64,128 3.341,129 1.548,131 5.492,132 2.614,133 2.614,134 9.916,135 3.874,136 1.469,137 1.469,138 4.717,139 5.8}
{0 CHEMBL1969502,1 0.821,2 1.21,3 80.661,4 2.674,5 1.206,6 2.662,7 1.326,8 44.306,9 0.886,10 0.997,11 2.854,12 0.702,13 1.132,14 2.896,15 1.107,16 1.181,17 1.368,18 4.192,19 4.5,20 -0.122,21 5.303,22 0.881,23 4.366,24 18.34,25 -0.123,26 -0.123,27 3.849,28 20.824,29 -0.913,30 -0.913,31 -0.358,32 3.993,33 1.091,34 29.5,35 -0.461,36 4.956,37 5.215,38 46.903,39 3.488,40 1,41 15.694,42 -0.36,43 -0.36,44 4.161,45 3.881,46 159.542,47 2.549,48 3.484,49 1.428,50 1.605,51 3.16,52 0.642,53 3.472,54 3.879,55 4.011,56 295.24,57 4.675,58 0.109,59 3.368,60 2.832,61 42.363,62 0.214,63 3.36,64 4.804,65 28.676,66 2.25,67 18.076,68 4.648,69 3.118,70 8.454,71 -0.329,72 -0.329,73 4.811,74 2.506,75 0.109,76 4.872,77 2.254,78 196.071,79 213.722,80 12.704,81 46,82 0.23,83 4.646,84 10.442,85 17.947,86 17.947,87 17.947,88 17.947,89 17.947,90 2.693,91 6.831,92 20.69,93 1.529,94 226.477,95 42,97 216.477,98 8.088,99 1.366,100 0.142,101 21.03,102 126.764,103 15.354,104 1.436,105 4.821,106 1.189,107 0.22,108 216.477,109 8.321,110 1137.32,111 1.55,112 2.687,113 0.218,114 4.588,115 118.211,116 386.065,117 14023.8,118 1.648,119 8819,120 5.528,121 12.407,122 0.157,123 3.903,124 7.45,125 616,126 3.262,127 17.673,128 3.305,129 1.811,131 5.954,132 2.522,133 2.522,134 9.644,135 4.013,136 1.572,137 1.572,138 4.675,139 5.9}
{0 CHEMBL1969506,1 1.003,2 1.371,3 160.073,4 2.915,5 1.363,6 2.9,7 1.666,8 91.815,9 1.06,10 1.097,11 3.09,12 0.726,13 2.068,14 3.111,15 1.308,16 1.417,17 1.621,18 4.166,19 4.829,20 0.652,21 5.407,22 1.66,23 4.694,24 23.753,25 0.66,26 0.66,27 4.069,28 29.698,29 1.346,30 1.346,31 0.518,32 4.28,33 1.977,34 39.256,35 0.753,36 4.949,37 5.231,38 65.405,39 3.723,40 1,41 19.553,42 0.542,43 0.542,44 4.133,45 4.183,46 234.548,47 2.706,48 3.715,49 1.453,50 1.892,51 3.475,52 1.504,53 3.659,54 4.072,55 4.27,56 421.53,57 5.039,58 0.087,59 3.556,60 3.332,61 59.502,62 0.764,63 3.581,64 5.091,65 38.324,66 2.472,67 22.653,68 5.007,69 3.427,70 10.461,71 1.594,72 1.594,73 5.965,74 3.151,75 0.087,76 5.266,77 2.516,78 272.827,79 290.479,80 16.331,81 61,82 0.187,83 4.931,84 12.4,85 22.228,86 22.228,87 22.228,88 22.228,89 22.228,90 3.228,91 8.321,92 23.868,93 1.691,94 339.763,95 58,97 292.479,98 8.93,99 1.647,100 0.113,101 45.417,102 192.921,103 24.764,104 1.465,105 5.078,106 1.417,107 0.205,108 292.479,109 9.989,110 2410.78,111 1.813,112 3.019,113 0.429,114 4.899,115 168.77,116 584.674,117 39552.7,118 1.885,119 19307,120 7.236,121 21.527,122 0.126,123 4.501,124 11.317,125 1092,126 3.486,127 25.543,128 3.588,129 2.547,131 8.721,132 3.212,133 3.212,134 13.235,135 4.193,136 1.716,137 1.716,138 5.098,139 5.8}
{0 CHEMBL1969523,1 0.804,2 1.308,4 2.596,5 1.239,6 2.618,7 1.436,9 0.934,10 1,11 2.874,12 0.709,13 0.936,14 3.009,15 1.308,16 1.417,17 1.476,18 4.039,19 4.73,20 -0.362,21 4.682,22 0.585,23 4.533,24 19.494,25 -0.389,26 -0.389,27 3.858,28 27.482,29 -1.071,30 -1.071,31 -0.416,32 4.18,33 0.881,34 34.552,35 -0.52,36 4.477,37 4.585,38 60.062,39 3.559,41 15.754,42 -0.42,43 -0.42,44 3.999,45 4.053,46 194.46,47 2.356,48 3.537,49 1.544,50 1.791,51 3.29,52 0.53,53 3.233,54 3.894,55 4.045,56 361.8,57 4.957,58 0.109,59 3.572,60 2.762,61 53,62 -0.147,63 3.557,64 5.03,65 32.805,66 2.016,67 18.272,68 4.694,69 3.208,70 9.005,71 -0.918,72 -0.918,73 4.615,74 3.075,75 0.112,76 5.247,77 2.182,78 233.441,79 256.786,80 13.147,81 55,82 0.236,83 4.764,84 10.252,85 17.919,86 17.919,87 17.919,88 17.919,89 17.919,90 2,91 7.258,92 18.898,93 1.324,94 303.58,95 53,97 260.786,98 8.312,99 1.604,100 0.144,101 27.357,102 141.75,103 20.031,104 1.613,105 4.961,106 1.417,107 0.23,108 258.786,109 8.556,110 1383.39,111 1.733,112 2.764,113 0.469,114 4.772,115 127.851,116 545.721,117 18735.9,118 1.811,119 9554,120 5.944,121 19.908,122 0.156,123 3.9,124 11.033,125 650,126 3.075,127 20.474,128 3.374,129 1.74,131 7.307,132 2.772,133 2.772,134 10.333,135 4.033,136 1.414,137 1.414,138 4.78,139 5.8}
{0 CHEMBL1969537,1 0.1,2 0.824,3 109.966,4 2.144,5 0.763,6 2.131,7 1.039,8 88.035,9 0.197,10 0.701,11 2.362,12 0.188,13 0.315,14 2.459,15 0.573,16 0.533,17 1,18 4.325,19 4.205,20 -0.845,21 5.609,22 -0.169,23 4.086,24 14.223,25 -1.015,26 -1.015,27 3.656,28 5.475,29 -3.321,30 -3.321,31 -1.048,32 3.648,33 0.15,34 22.739,35 -1.536,36 5.38,37 5.595,38 31.165,39 3.264,40 1,41 11.814,42 -1.216,43 -1.216,44 4.285,45 3.563,46 101.096,47 2.08,48 3.206,49 0.77,50 1.482,51 2.633,52 -0.346,53 2.806,54 3.703,55 3.775,56 199.15,57 4.195,58 0.135,59 3.116,60 2.158,61 28.724,62 -0.962,63 3.174,64 4.171,65 21.217,66 1.507,67 14.489,68 4.261,69 2.595,70 6.248,71 -2.836,72 -2.836,73 5.66,74 1.763,75 0.146,76 4.323,77 1.801,78 116.606,79 124.606,80 9.754,81 32,82 0.304,83 4.231,84 7.713,85 13.861,86 13.861,87 13.861,88 13.861,89 13.861,90 2,91 4.888,92 16.531,93 1.068,94 134.606,95 28,97 128.606,98 7.403,99 1.253,100 0.184,101 9.7,102 83.392,103 11.776,104 1.078,105 4.382,106 0.732,107 0.246,108 126.606,109 6.03,110 503.064,111 1.198,112 2.297,114 4.033,115 86.439,116 289.319,117 4864.09,118 1.514,119 3467,120 4.111,121 5.295,122 0.207,123 3.154,124 5.267,125 277,126 2.629,127 13.43,128 3.063,129 1.144,131 4.002,132 2.775,133 2.775,134 7.344,135 3.828,136 1.112,137 1.112,138 4.3,139 5.8}
{0 CHEMBL1969561,1 0.848,2 1.386,3 113.497,4 2.757,5 1.397,6 2.758,7 1.508,8 145.238,9 0.934,10 1.167,11 2.921,12 0.638,13 1.655,14 3.009,15 1.308,16 1.342,17 1.52,18 4.172,19 4.718,20 0.32,21 5.182,22 1.327,23 4.53,24 19.747,25 0.322,26 0.322,27 3.905,28 28.755,29 -0.186,30 -0.186,31 -0.069,32 4.15,33 1.244,34 33.58,35 -0.089,36 4.875,37 5.106,38 56.521,39 3.551,40 2,41 16.399,42 -0.071,43 -0.071,44 4.13,45 4.017,46 184.644,47 2.469,48 3.533,49 1.465,50 1.685,51 3.313,52 0.917,53 3.318,54 3.935,55 4.068,56 327.21,57 4.886,58 0.103,59 3.476,60 2.951,61 50.007,62 0.185,63 3.471,64 5.066,65 32.058,66 2.158,67 19.168,68 4.736,69 3.225,70 9.095,71 0.746,72 0.746,73 4.921,74 2.998,75 0.106,76 5.117,77 2.262,78 227.173,79 247.173,80 13.542,81 53,82 0.224,83 4.73,84 11.065,85 18.913,86 18.913,87 18.913,88 18.913,89 18.913,90 2.73,91 7.37,92 20.69,93 1.463,94 282.193,95 50,96 1.708,97 249.928,98 8.356,99 1.434,100 0.137,101 24.929,102 137.903,103 18.392,104 1.552,105 4.93,106 1.417,107 0.22,108 249.928,109 8.775,110 1271.98,111 1.64,112 2.788,113 0.406,114 4.824,115 125.851,116 478.085,117 16460.8,118 1.702,119 9037,120 6.111,121 18.696,122 0.149,123 3.873,124 10,125 561,126 3.191,127 19.673,128 3.376,129 1.534,130 1,131 6.654,132 2.699,133 2.699,134 10.332,135 4.059,136 1.479,137 1.479,138 4.777,139 5.3}
{0 CHEMBL1969588,1 0.795,2 1.107,3 90.944,4 2.691,5 1.062,6 2.666,7 1.141,8 47.771,9 0.838,10 0.886,11 2.844,12 0.517,13 0.923,14 2.897,15 1.024,16 1.046,17 1.154,18 4.167,19 4.399,20 -0.396,21 4.779,22 0.43,23 4.255,24 16.93,25 -0.438,26 -0.438,27 3.758,28 20.624,29 -1.667,30 -1.667,31 -0.613,32 3.898,33 0.712,34 28.449,35 -0.873,36 4.575,37 4.718,38 43.428,39 3.423,41 14.06,42 -0.665,43 -0.665,44 4.13,45 3.784,46 131.548,47 2.386,48 3.4,49 1.181,50 1.625,51 2.946,52 0.256,53 3.266,54 3.802,55 3.932,56 277.03,57 4.455,58 0.115,59 3.231,60 2.442,61 39.033,62 -0.597,63 3.226,64 4.655,65 27.074,66 1.63,67 17.044,68 4.546,69 2.889,70 7.634,71 -1.119,72 -1.119,73 4.066,74 2.232,75 0.117,76 4.668,77 2,78 168.846,79 193.376,80 11.793,81 42,82 0.249,83 4.468,84 10.055,85 16.654,86 16.654,87 16.654,88 16.654,89 16.654,90 2.081,91 6.174,92 18.781,93 1.341,94 206.131,95 39,97 196.131,98 7.862,99 1.341,100 0.154,101 19.764,102 114.061,103 15.034,104 1.468,105 4.663,106 1.159,107 0.231,108 196.131,109 7.445,110 950.783,111 1.57,112 2.687,113 0.14,114 4.431,115 104.039,116 385.272,117 11148.8,118 1.637,119 6872,120 5.25,121 11.333,122 0.17,123 3.747,124 6.96,125 536,126 2.828,127 16.355,128 3.229,129 1.46,131 4.989,132 2.511,133 2.511,134 8.795,135 3.882,136 1.432,137 1.432,138 4.557,139 6.6}
{0 CHEMBL1969664,1 0.757,2 1.233,3 101.386,4 2.637,5 1.251,6 2.605,7 1.376,8 54.157,9 0.821,10 1.005,11 2.833,12 0.701,13 1.021,14 2.897,15 1.059,16 1.078,17 1.374,18 4.178,19 4.576,20 -0.284,21 4.942,22 0.613,23 4.417,24 17.648,25 -0.311,26 -0.311,27 3.809,28 22.493,29 -1.494,30 -1.494,31 -0.602,32 3.994,33 0.677,34 29.262,35 -0.766,36 4.754,37 4.883,38 48.318,39 3.43,40 1,41 15.382,42 -0.64,43 -0.64,44 4.15,45 3.885,46 168.991,47 2.265,48 3.428,49 1.356,50 1.627,51 3.206,52 0.31,53 3.147,54 3.831,55 3.968,56 292.94,57 4.712,58 0.114,59 3.373,60 2.491,61 43.247,62 -0.279,63 3.354,64 4.841,65 28.203,66 2.018,67 17.744,68 4.592,69 3.111,70 8.119,71 -0.711,72 -0.711,73 4.499,74 2.551,75 0.117,76 4.954,77 1.959,78 199.72,79 211.329,80 12.242,81 46,82 0.247,83 4.651,84 10.251,85 17.317,86 17.317,87 17.317,88 17.317,89 17.317,90 2.377,91 6.539,92 19.186,93 1.202,94 233.329,95 43,96 2.336,97 211.329,98 7.964,99 1.395,100 0.152,101 23.232,102 120.908,103 15.952,104 1.513,105 4.842,106 1.193,107 0.228,108 211.329,109 7.971,110 1061.03,111 1.548,112 2.733,113 0.169,114 4.611,115 112.096,116 415.338,117 12822.2,118 1.659,119 7633,120 5.528,121 15.957,122 0.168,123 3.788,124 7.717,125 593,126 3.06,127 17.225,128 3.267,129 1.983,130 1,131 6.094,132 2.533,133 2.533,134 9.216,135 3.972,136 1.395,137 1.395,138 4.612,139 5.8}
{0 CHEMBL1969755,1 0.821,2 1.107,4 2.715,5 1.068,6 2.735,7 1.255,9 0.886,10 0.886,11 2.854,12 0.48,13 1.123,14 2.925,15 1.107,16 1.181,17 1.276,18 4.044,19 4.521,20 -0.251,21 4.317,22 0.726,23 4.376,24 17.981,25 -0.263,26 -0.263,27 3.804,28 24.439,29 -1.34,30 -1.34,31 -0.512,32 4.001,33 0.819,34 30.711,35 -0.711,36 4.304,37 4.331,38 50.492,39 3.485,41 15.476,42 -0.549,43 -0.549,44 4.018,45 3.894,46 152.53,47 2.223,48 3.465,49 1.228,50 1.757,51 3.082,52 0.391,53 3.197,54 3.847,55 3.987,56 321.33,57 4.72,58 0.107,59 3.426,60 2.494,61 45.323,62 -0.166,63 3.422,64 4.893,65 29.597,66 1.86,67 17.962,68 4.642,69 3.019,70 8.231,71 -0.598,72 -0.598,73 4.108,74 2.547,75 0.109,76 4.932,77 2.001,78 193.159,79 222.379,80 12.669,81 47,82 0.23,83 4.665,84 10.781,85 17.784,86 17.784,87 17.784,88 17.784,89 17.784,90 2.268,91 6.696,92 18.781,93 1.209,94 247.133,95 45,97 227.133,98 8.084,99 1.503,100 0.144,101 25.976,102 128.647,103 17.937,104 1.32,105 4.865,106 1.181,107 0.231,108 227.133,109 8.073,110 1184.53,111 1.763,112 2.687,113 0.218,114 4.679,115 114.211,116 459.653,117 15116.8,118 1.751,119 8322,120 5.917,121 14.574,122 0.157,123 3.857,124 7.793,125 637,126 2.883,127 18.355,128 3.304,129 1.528,131 6.737,132 2.614,133 2.614,134 9.67,135 3.967,136 1.248,137 1.248,138 4.67,139 5.8}
{0 CHEMBL1969843,1 0.698,2 1.165,3 81.465,4 2.266,5 1.178,6 2.262,7 1.376,8 99.611,9 0.791,10 0.858,11 2.562,12 0.52,13 0.573,14 2.667,15 1.081,16 1.05,17 1.399,18 4.162,19 4.51,20 -0.863,21 4.625,22 0.076,23 4.335,24 15.189,25 -0.897,26 -0.897,27 3.665,28 19.204,29 -2.347,30 -2.347,31 -0.884,32 3.907,33 0.203,34 25.051,35 -1.044,36 4.443,37 4.564,38 43.192,39 3.278,40 1,41 13.072,42 -0.946,43 -0.946,44 4.119,45 3.776,46 141.003,47 1.986,48 3.272,49 1.361,50 1.594,51 3.13,52 0.009,53 3.111,54 3.696,55 3.808,56 233.87,57 4.576,58 0.124,59 3.127,60 2.112,61 38.138,62 -0.784,63 3.107,64 4.665,65 23.983,66 1.507,67 15.052,68 4.366,69 3.065,70 7.173,71 -2.251,72 -2.251,73 4.061,74 2.379,75 0.126,76 4.858,77 1.969,78 172.666,79 177.421,80 10.382,81 41,82 0.263,83 4.553,84 8.859,85 14.74,86 14.74,87 14.74,88 14.74,89 14.74,90 1.611,91 5.812,92 16.989,93 0.982,94 199.421,95 38,97 177.421,98 7.449,99 1.229,100 0.167,101 16.653,102 95.579,103 12.839,104 1.465,105 4.784,106 1.129,107 0.243,108 177.421,109 7.069,110 708.442,111 1.513,112 2.366,113 0.092,114 4.38,115 88.239,116 341.186,117 7553.57,118 1.643,119 5126,120 4.556,121 15.629,122 0.186,123 3.562,124 6.717,125 446,126 2.518,127 14.071,128 3.103,129 1.2,131 5.502,132 2.533,133 2.533,134 7.737,135 3.778,136 1.025,137 1.025,138 4.365,139 5.8}
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{0 CHEMBL1970522,1 0.723,2 1.094,4 2.595,5 1.062,6 2.618,7 1.116,8 65.811,9 0.788,10 0.87,11 2.764,12 0.337,13 0.717,14 2.837,15 1.015,16 1.042,17 1.107,18 3.99,19 4.283,20 -0.719,21 4.394,22 0.232,23 4.172,24 15.762,25 -0.753,26 -0.753,27 3.649,28 19.781,29 -2.192,30 -2.192,31 -0.804,32 3.814,33 0.584,34 26.591,35 -1.164,36 4.263,37 4.369,38 41.036,39 3.353,41 13.576,42 -0.848,43 -0.848,44 3.971,45 3.732,46 133.466,47 2.191,48 3.326,49 1.181,50 1.524,51 2.98,52 0.115,53 3.127,54 3.692,55 3.869,56 286.9,57 4.295,58 0.113,59 3.043,60 2,61 37.564,62 -0.431,63 3.026,64 4.437,65 25.535,66 1.719,67 16.095,68 4.458,69 2.95,70 6.841,71 -1.776,72 -1.776,73 4.049,74 1.956,75 0.12,76 4.466,77 2,78 157.24,79 177.24,80 11.152,81 39,82 0.248,83 4.333,84 9.289,85 15.61,86 15.61,87 15.61,88 15.61,89 15.61,90 1.87,91 5.505,92 16.701,93 1.136,94 192.75,95 37,97 179.995,98 7.726,99 1.223,100 0.157,101 19.985,102 108.715,103 15.654,104 1.295,105 4.473,106 1.098,107 0.245,108 179.995,109 6.597,110 882.746,111 1.489,112 2.687,113 0.092,114 4.266,115 100.042,116 401.401,117 10236.5,118 1.518,119 5884,120 5.139,121 11.754,122 0.174,123 3.597,124 6.9,125 494,126 2.805,127 16.234,128 3.188,129 1.545,131 5.371,132 2.531,133 2.531,134 8.452,135 3.719,136 1.264,137 1.264,138 4.495,139 5.8}
{0 CHEMBL1970709,1 0.595,2 1.094,3 90.794,4 2.322,5 1.062,6 2.37,7 1.083,8 52.506,9 0.669,10 0.854,11 2.541,12 0.337,13 0.5,14 2.625,15 0.913,16 0.923,17 1.107,18 4.14,19 4.255,20 -0.855,21 3.892,22 0.003,23 4.111,24 14.577,25 -1,26 -1,27 3.582,28 14.723,29 -2.583,30 -2.583,31 -0.995,32 3.771,33 0.496,34 24.637,35 -1.464,36 4.007,37 3.85,38 38.12,39 3.252,40 1,41 12.172,42 -1,43 -1,44 4.097,45 3.651,46 122.567,47 2,48 3.233,49 1.181,50 1.581,51 2.966,53 3.04,54 3.635,55 3.785,56 249.23,57 4.322,58 0.126,59 3.142,60 1.936,61 34.382,62 -0.902,63 3.146,64 4.361,65 23.46,66 1.693,67 14.564,68 4.338,69 2.911,70 6.396,71 -2.511,72 -2.511,73 3.593,74 1.84,75 0.128,76 4.558,77 1.624,78 147.322,79 162.974,80 10.204,81 36,82 0.269,83 4.324,84 8.517,85 14.24,86 14.24,87 14.24,88 14.24,89 14.24,90 1.643,91 5.167,92 15.603,93 1,94 172.974,95 34,97 162.974,98 7.438,99 1.229,100 0.171,101 16.186,102 97.152,103 14.108,104 1.27,105 4.51,106 1.073,107 0.253,108 162.974,109 6.227,110 732.764,111 1.464,112 2.687,114 4.116,115 88.239,116 353.635,117 8115.31,118 1.619,119 5070,120 4.611,121 7.185,122 0.192,123 3.519,124 5.926,125 469,126 2.88,127 14.656,128 3.102,129 1.131,131 4.543,132 2.47,133 2.47,134 7.699,135 3.695,136 1,137 1,138 4.367,139 5.8}
{0 CHEMBL1970879,1 1.217,2 1.647,3 424.832,4 3.095,5 1.652,6 3.063,7 1.811,8 222.363,9 1.282,10 1.39,11 3.31,12 0.917,13 2.788,14 3.388,15 1.55,16 1.572,17 1.799,18 4.216,19 5.317,20 1.408,21 6.12,22 2.427,23 5.127,24 33.028,25 1.444,26 1.444,27 4.453,28 64.02,29 3.147,30 3.147,31 1.135,32 4.684,33 2.634,34 55.836,35 1.648,36 5.613,37 5.938,38 96.341,39 4.052,40 2,41 28.071,42 1.171,43 1.171,44 4.174,45 4.553,46 335.132,47 3.282,48 4.042,49 1.76,50 1.97,51 3.568,52 2.149,53 3.729,54 4.481,55 4.571,56 546.79,57 5.536,58 0.062,59 3.727,60 4.139,61 85.152,62 1.532,63 3.711,64 5.867,65 53.239,66 2.59,67 32.119,68 5.454,69 3.527,70 15.592,71 3.456,72 3.456,73 9.714,74 5.222,75 0.064,76 5.758,77 2.893,78 440.534,79 478.534,80 22.317,81 91,82 0.136,83 5.399,84 17.972,85 31.386,86 31.386,87 31.386,88 31.386,89 31.386,90 4.123,91 12.531,92 35.024,93 2.227,94 544.798,95 85,96 4.471,97 488.534,98 9.734,99 1.724,100 0.083,101 71.75,102 272.209,103 30.668,104 1.809,105 5.611,106 1.665,107 0.169,108 488.534,109 15.208,110 4398.04,111 1.94,112 3.216,113 0.825,114 5.607,115 237.329,116 764.652,117 85205.2,118 1.986,119 42662,120 9.944,121 35.689,122 0.092,123 5.381,124 16.15,125 1773,126 3.66,127 31.949,128 3.853,129 2.424,130 2,131 12.018,132 2.933,133 2.933,134 17.085,135 4.678,136 2.318,137 2.318,138 5.488,139 5.8}
{0 CHEMBL1970903,1 0.948,2 1.293,3 255.999,4 2.818,5 1.29,6 2.821,7 1.616,8 143.259,9 1.006,10 1.056,11 2.984,12 0.739,13 2.086,14 3.062,15 1.257,16 1.232,17 1.61,18 4.179,19 4.746,20 0.637,21 4.97,22 1.625,23 4.588,24 21.41,25 0.651,26 0.651,27 4.026,28 27.045,29 1.149,30 1.149,31 0.447,32 4.209,33 1.687,34 36.336,35 0.585,36 4.828,37 4.905,38 59.438,39 3.66,40 2,41 17.671,42 0.497,43 0.497,44 4.144,45 4.084,46 203.526,47 2.518,48 3.641,49 1.573,50 1.826,51 3.429,52 1.402,53 3.414,54 4.064,55 4.153,56 342.21,57 4.904,58 0.09,59 3.478,60 3.205,61 52.789,62 0.676,63 3.482,64 5.047,65 34.563,66 2.159,67 21.002,68 4.859,69 3.36,70 9.897,71 1.543,72 1.543,73 5.412,74 3.06,75 0.091,76 5.142,77 2.468,78 264.825,79 290.825,80 14.67,81 57,82 0.192,83 4.818,84 12.143,85 20.67,86 20.67,87 20.67,88 20.67,89 20.67,90 3.019,91 8.005,92 23.463,93 1.501,94 303.58,95 53,97 292.825,98 8.484,99 1.617,100 0.12,101 29.467,102 156.872,103 18.859,104 1.702,105 5.012,106 1.286,107 0.206,108 292.825,109 9.644,110 1666.43,111 1.816,112 2.852,113 0.251,114 4.807,115 147.207,116 480.341,117 24137.8,118 1.825,119 14270,120 6.472,121 19.038,122 0.134,123 4.335,124 9.65,125 862,126 3.215,127 20.501,128 3.44,129 1.596,131 7.775,132 2.8,133 2.8,134 11.044,135 4.171,136 1.546,137 1.546,138 4.884,139 5.8}
{0 CHEMBL1970913,1 0.766,2 1.137,3 67.681,4 2.608,5 1.115,6 2.596,7 1.374,8 39.572,9 0.822,10 0.924,11 2.833,12 0.551,13 0.808,14 2.9,15 1.089,16 1.097,17 1.374,18 4.215,19 4.515,20 -0.57,21 4.868,22 0.46,23 4.336,24 16.072,25 -0.569,26 -0.569,27 3.677,28 17.549,29 -1.776,30 -1.776,31 -0.718,32 3.936,33 0.638,34 27.262,35 -1.003,36 4.86,37 4.984,38 46.318,39 3.346,41 13.759,42 -0.705,43 -0.705,44 4.178,45 3.812,46 143.421,47 2.203,48 3.332,49 1.338,50 1.658,51 3.146,52 0.308,53 3.245,54 3.71,55 3.869,56 273.34,57 4.509,58 0.126,59 3.371,60 2.144,61 41.247,62 -0.491,63 3.377,64 4.608,65 26.203,66 1.742,67 15.82,68 4.443,69 3.083,70 7.657,71 -1.37,72 -1.37,73 3.633,74 2.852,75 0.131,76 4.713,77 2.017,78 178.54,79 202.15,80 11.135,81 43,82 0.275,83 4.564,84 9.3,85 15.671,86 15.671,87 15.671,88 15.671,89 15.671,90 2,91 6.248,92 16.414,93 1.199,94 219.66,95 41,97 204.15,98 7.776,99 1.472,100 0.17,101 19.569,102 105.372,103 15.479,104 1.48,105 4.782,106 1.174,107 0.247,108 204.15,109 7.456,110 805.755,111 1.65,112 2.681,113 0.169,114 4.42,115 104.042,116 397.012,117 8950.29,118 1.653,119 4850,120 5.222,121 15.229,122 0.189,123 3.401,124 8.1,125 408,126 2.78,127 16.397,128 3.19,129 1.353,131 5.913,132 2.522,133 2.522,134 8.525,135 3.766,136 1.204,137 1.204,138 4.488,139 5.8}
{0 CHEMBL1971017,1 0.331,2 0.929,3 66.818,4 2.016,5 0.884,6 2.074,7 1.055,8 34.815,9 0.409,10 0.715,11 2.339,12 0.135,13 0.47,14 2.428,15 0.695,16 0.629,17 1.069,18 4.114,19 4.005,20 -1.025,21 4.29,22 -0.064,23 3.908,24 12.919,25 -1,26 -1,27 3.518,28 10.832,29 -3.404,30 -3.404,31 -1.188,32 3.556,33 0.078,34 21.097,35 -1.719,36 4.394,37 4.394,38 31.127,39 3.182,40 2,41 10.737,42 -1.247,43 -1.247,44 4.105,45 3.472,46 97.345,47 1.958,48 3.146,49 1.079,50 1.243,51 2.952,52 -0.292,53 2.967,54 3.578,55 3.688,56 215.23,57 4.073,58 0.147,59 2.905,60 1.823,61 28.654,62 -1.129,63 2.921,64 4.196,65 20.435,66 1.422,67 12.987,68 4.171,69 2.892,70 5.588,71 -2.874,72 -2.874,73 3.909,74 1.516,75 0.152,76 4.225,77 1.371,78 118.996,79 132.606,80 9.148,81 30,82 0.32,83 4.104,84 7.433,85 12.723,86 12.723,87 12.723,88 12.723,89 12.723,90 1.501,91 4.456,92 13.929,93 0.932,94 134.606,95 28,97 132.606,98 7.211,99 0.949,100 0.198,101 11.645,102 80.637,103 12.092,104 1.144,105 4.227,106 0.92,107 0.268,108 132.606,109 5.407,110 508.905,111 1.193,112 2.239,114 4.013,115 80.711,116 293.813,117 4867.11,118 1.228,119 2990,120 4.111,121 5.863,122 0.22,123 3.087,124 5.093,125 288,126 2.454,127 13.405,128 3.012,129 1.155,131 3.98,132 2.419,133 2.419,134 6.996,135 3.615,136 1,137 1,138 4.22,139 5.8}
{0 CHEMBL1971021,1 1.002,2 1.349,3 138.647,4 2.918,5 1.421,6 2.918,7 1.507,8 74.193,9 1.036,10 1.101,11 3.052,12 0.715,13 1.375,14 3.117,15 1.258,16 1.204,17 1.557,18 4.102,19 4.746,20 0.097,21 5.142,22 1.061,23 4.6,24 21.724,25 0.101,26 0.101,27 4.025,28 27.121,29 -0.516,30 -0.516,31 -0.186,32 4.175,33 1.19,34 35.353,35 -0.242,36 4.934,37 5.081,38 59.085,39 3.632,41 18.307,42 -0.189,43 -0.189,44 4.079,45 4.065,46 185.1,47 2.798,48 3.637,49 1.493,50 1.63,51 3.35,52 0.802,53 3.376,54 4.032,55 4.19,56 381.37,57 4.932,58 0.093,59 3.258,60 3.028,61 53.334,62 0.51,63 3.217,64 5.107,65 34.912,66 2.393,67 21.108,68 4.896,69 3.283,70 9.739,71 0.281,72 0.281,73 5.199,74 2.961,75 0.098,76 5.131,77 2.642,78 224.119,79 254.648,80 15.113,81 55,82 0.209,83 4.791,84 11.866,85 20.728,86 20.728,87 20.728,88 20.728,89 20.728,90 2.896,91 7.856,92 22.482,93 1.764,94 296.423,95 52,97 266.158,98 8.702,99 1.311,100 0.124,101 31.375,102 167.607,103 21.915,104 1.574,105 4.949,106 1.286,107 0.211,108 264.158,109 9.483,110 1846.28,111 1.639,112 2.941,113 0.26,114 4.92,115 149.245,116 498.906,117 26731.4,118 1.659,119 13820,120 6.722,121 17.4,122 0.133,123 4.146,124 10.012,125 814,126 3.469,127 23.043,128 3.502,129 2.147,131 8.269,132 2.805,133 2.805,134 12.495,135 4.173,136 1.815,137 1.815,138 4.972,139 5.8}
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{0 CHEMBL1972158,1 0.821,2 1.115,3 109.427,4 2.715,5 1.116,6 2.735,7 1.417,8 135.793,9 0.886,10 0.896,11 2.854,12 0.494,13 2.108,14 2.925,15 1.107,16 1.181,17 1.379,18 4.18,19 4.569,20 0.64,21 5.398,22 1.634,23 4.421,24 19.777,25 0.654,26 0.654,27 3.925,28 20.885,29 0.02,30 0.02,31 0.007,32 4.087,33 1.279,34 32.603,35 0.009,36 5.017,37 5.313,38 51.481,39 3.565,40 1,41 16.388,42 0.008,43 0.008,44 4.138,45 3.959,46 149.118,47 2.415,48 3.55,49 1.311,50 1.695,51 3.137,52 0.982,53 3.372,54 3.958,55 4.09,56 307.18,57 4.71,58 0.099,59 3.536,60 3.227,61 45.912,62 0.186,63 3.506,64 4.868,65 31.289,66 2.071,67 19.754,68 4.769,69 3.067,70 8.97,71 1.563,72 1.563,73 4.814,74 2.63,75 0.102,76 4.937,77 2.291,78 179.713,79 217.819,80 13.793,81 50,82 0.216,83 4.637,84 11.672,85 19.568,86 19.568,87 19.568,88 19.568,89 19.568,90 2.902,91 7.305,92 22.364,93 1.412,94 254.084,95 46,97 234.084,98 8.349,99 1.365,100 0.132,101 24.929,102 137.978,103 16.724,104 1.545,105 4.831,106 1.181,107 0.211,108 232.084,109 8.791,110 1280.79,111 1.574,112 2.687,113 0.218,114 4.651,115 124.606,116 425.182,117 16480.8,118 1.747,119 9784,120 6.083,121 13.756,122 0.145,123 4.004,124 8.217,125 584,126 3.098,127 18.924,128 3.376,129 1.442,131 6.075,132 2.553,133 2.553,134 10.262,135 4.039,136 1.422,137 1.422,138 4.778,139 5.8}
{0 CHEMBL1972221,1 0.821,2 1.287,3 119.985,4 2.715,5 1.296,6 2.735,7 1.543,8 68.676,9 0.886,10 1.052,11 2.879,12 0.695,13 1.09,14 2.937,15 1.107,16 1.181,17 1.583,18 4.17,19 4.675,20 -0.313,21 4.934,22 0.677,23 4.517,24 18.889,25 -0.319,26 -0.319,27 3.861,28 27.007,29 -0.885,30 -0.885,31 -0.474,32 4.099,33 1,34 32.887,35 -0.577,36 4.691,37 4.828,38 55.278,39 3.558,40 1,41 15.697,42 -0.522,43 -0.522,44 4.137,45 3.986,46 182.043,47 2.173,48 3.511,49 1.38,50 1.836,51 3.363,52 0.416,53 3.409,54 3.926,55 4.018,56 335.24,57 4.753,58 0.106,59 3.455,60 2.587,61 49.418,62 0.033,63 3.448,64 4.913,65 31.158,66 2.202,67 18.247,68 4.663,69 3.306,70 8.845,71 -0.736,72 -0.736,73 5.599,74 3.135,75 0.111,76 4.955,77 2.109,78 223.205,79 246.856,80 12.914,81 51,82 0.232,83 4.763,84 10.504,85 17.98,86 17.98,87 17.98,88 17.98,89 17.98,90 2.19,91 7.092,92 18.781,93 1.167,94 275.121,95 49,97 249.611,98 8.183,99 1.552,100 0.143,101 28.837,102 135.472,103 19.399,104 1.463,105 4.968,106 1.239,107 0.231,108 249.611,109 8.46,110 1302.47,111 1.854,112 2.728,113 0.218,114 4.708,115 122.382,116 477.488,117 17069.1,118 1.829,119 8760,120 6,121 21.435,122 0.162,123 3.844,124 9.2,125 686,126 3.236,127 19.441,128 3.34,129 1.273,131 8.229,132 2.771,133 2.771,134 10.154,135 4.021,136 1.193,137 1.193,138 4.721,139 5.8}
{0 CHEMBL1972250,1 0.722,2 1.177,3 74.128,4 2.601,5 1.194,6 2.602,7 1.321,8 79.893,9 0.786,10 0.953,11 2.777,12 0.358,13 1.008,14 2.859,15 1.022,16 1.032,17 1.329,18 4.161,19 4.314,20 -0.456,21 5.403,22 0.464,23 4.188,24 16.525,25 -0.484,26 -0.484,27 3.742,28 15.782,29 -1.46,30 -1.46,31 -0.644,32 3.815,33 0.834,34 26.523,35 -0.983,36 5.081,37 5.328,38 39.863,39 3.362,40 1,41 14.654,42 -0.654,43 -0.654,44 4.13,45 3.72,46 150.898,47 2.096,48 3.364,49 1.288,50 1.566,51 3.178,52 0.339,53 3.221,54 3.748,55 3.928,56 276.23,57 4.451,58 0.122,59 3.143,60 2.41,61 36.269,62 -0.302,63 3.136,64 4.635,65 25.908,66 1.918,67 17.085,68 4.518,69 3.113,70 7.269,71 -0.962,72 -0.962,73 4.236,74 2.065,75 0.123,76 4.626,77 1.959,78 171.362,79 179.362,80 11.745,81 39,82 0.257,83 4.338,84 9.561,85 16.782,86 16.782,87 16.782,88 16.782,89 16.782,90 2.323,91 5.864,92 18.205,93 1.09,94 186.117,95 36,97 179.362,98 7.859,99 1.29,100 0.16,101 21.146,102 112.727,103 14.364,104 1.433,105 4.468,106 1.133,107 0.234,108 179.362,109 7.067,110 936.673,111 1.565,112 2.631,114 4.426,115 110.039,116 368.418,117 10586.1,118 1.584,119 6166,120 5.417,121 9.674,122 0.173,123 3.579,124 7.267,125 518,126 2.945,127 16.681,128 3.229,129 1.854,131 4.608,132 2.635,133 2.635,134 8.752,135 3.863,136 1.128,137 1.128,138 4.55,139 5.8}
{0 CHEMBL1972362,1 0.641,2 1.078,3 86.276,4 2.427,5 1.035,6 2.47,7 1.062,8 44.973,9 0.708,10 0.886,11 2.672,12 0.253,13 0.5,14 2.742,15 0.973,16 0.868,17 1.107,18 4.132,19 4.229,20 -0.914,21 4.691,23 4.141,24 15.073,25 -1,26 -1,27 3.697,28 16.962,29 -3,30 -3,31 -1,32 3.718,33 0.5,34 25.477,35 -1.5,36 4.595,37 4.635,38 37.541,39 3.391,40 2,41 11.96,42 -1,43 -1,44 4.135,45 3.653,46 128.958,47 2,48 3.313,49 1.181,50 1.675,51 2.945,53 3.057,54 3.779,55 3.82,56 262.55,57 4.35,58 0.129,59 3.272,60 2,61 34.756,62 -0.986,63 3.262,64 4.529,65 24.195,66 1.72,67 14.641,68 4.35,69 2.894,70 6.509,71 -2.874,72 -2.874,73 5.495,74 1.744,75 0.138,76 4.485,77 1.958,78 146.609,79 156.219,80 10.359,81 36,82 0.296,83 4.341,84 8.027,85 14.195,86 14.195,87 14.195,88 14.195,89 14.195,90 2,91 5.023,92 15.315,93 1,94 172.974,95 34,97 156.219,98 7.611,99 1.496,100 0.175,101 16.843,102 100.211,103 14.98,104 1.19,105 4.442,106 1.075,107 0.256,108 156.219,109 6.068,110 755.604,111 1.537,112 2.477,114 4.324,115 92.107,116 364.145,117 8128.45,118 1.628,119 4579,120 4.611,121 12.502,122 0.2,123 3.302,124 6.45,125 402,126 2.769,127 15.905,128 3.147,129 1.322,131 6.117,132 2.697,133 2.697,134 8.262,135 3.847,136 1,137 1,138 4.429,139 5.8}
{0 CHEMBL1972365,1 0.108,2 0.853,3 53.925,4 1.678,5 0.827,6 1.676,7 0.951,8 27.552,9 0.257,10 0.563,11 1.987,12 0.15,13 -0.039,14 2.117,15 0.639,16 0.582,17 0.976,18 4.171,19 3.994,20 -1.329,21 3.892,22 -0.491,23 3.838,24 11.117,25 -1.428,26 -1.428,27 3.32,28 8.847,29 -4.789,30 -4.789,31 -1.756,32 3.529,33 -0.422,34 18.307,35 -2.64,36 4.127,37 4.043,38 29.239,39 2.972,41 9.166,42 -1.904,43 -1.904,44 4.119,45 3.401,46 78.702,47 1.382,48 2.974,49 1.014,50 1.304,51 2.853,52 -0.962,53 2.854,54 3.336,55 3.533,56 171.9,57 3.937,58 0.162,59 2.747,60 1.265,61 26.058,62 -1.897,63 2.736,64 3.969,65 17.666,66 1.406,67 11.262,68 3.954,69 2.779,70 4.919,71 -4.474,72 -4.474,73 2.439,74 1.407,75 0.171,76 4.171,77 0.551,78 97.947,79 109.457,80 7.826,81 28,82 0.355,83 4.001,84 6.601,85 11.016,86 11.016,87 11.016,88 11.016,89 11.016,90 1.034,91 4.022,92 12.425,93 0.428,94 122.211,95 26,97 112.211,98 6.683,99 0.88,100 0.223,101 8.844,102 63.64,103 9.218,104 1.181,105 4.202,106 0.897,107 0.284,108 112.211,109 4.826,110 346.721,111 1.211,112 1.833,114 3.719,115 60,116 246.433,117 2907.23,118 1.332,119 2065,120 3.472,121 7.564,122 0.251,123 2.933,124 4.6,125 244,126 2.447,127 10.958,128 2.854,129 0.495,131 3.113,132 2.137,133 2.137,134 5.837,135 3.371,136 0.469,137 0.469,138 3.973,139 4.8}
{0 CHEMBL1972576,1 0.821,2 1.275,3 141.027,4 2.715,5 1.282,6 2.735,7 1.362,8 75.544,9 0.886,10 0.974,11 2.961,12 0.616,13 1.504,14 3.057,15 1.142,16 1.181,17 1.386,18 4.089,19 4.582,20 0.238,21 4.762,22 1.207,23 4.444,24 20.571,25 0.251,26 0.251,27 3.918,28 26.006,29 0.073,30 0.073,31 0.032,32 4.11,33 1.393,34 34.159,35 0.041,36 4.595,37 4.673,38 53.82,39 3.59,41 17.222,42 0.032,43 0.032,44 4.07,45 3.994,46 180.985,47 2.747,48 3.571,49 1.326,50 1.633,51 3.232,52 1.03,53 3.387,54 3.959,55 4.135,56 349.23,57 4.729,58 0.094,59 3.27,60 2.988,61 48.643,62 0.628,63 3.225,64 4.86,65 32.906,66 2.217,67 20.632,68 4.839,69 3.162,70 8.989,71 0.624,72 0.624,73 5.241,74 2.567,75 0.098,76 4.933,77 2.38,78 208.304,79 225.814,80 14.491,81 51,82 0.208,83 4.652,84 11.854,85 20.17,86 20.17,87 20.17,88 20.17,89 20.17,90 2.678,91 7.25,92 22.076,93 1.707,94 268.078,95 48,97 243.323,98 8.468,99 1.467,100 0.127,101 33.333,102 158.16,103 20.106,104 1.471,105 4.818,106 1.181,107 0.213,108 237.323,109 8.689,110 1709.46,111 1.566,112 2.841,113 0.218,114 4.648,115 135.207,116 484.835,117 25225.1,118 1.666,119 13878,120 6.528,121 15.017,122 0.141,123 4.278,124 8.817,125 914,126 3.244,127 21.087,128 3.44,129 2.087,131 6.673,132 2.642,133 2.642,134 11.042,135 4.033,136 1.748,137 1.748,138 4.879,139 5.8}
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{0 CHEMBL1980704,1 0.809,2 1.181,3 159.053,4 2.684,5 1.178,6 2.692,7 1.377,8 84.162,9 0.878,10 0.946,11 2.84,12 0.587,13 1.12,14 2.915,15 1.099,16 1.125,17 1.343,18 4.239,19 4.474,20 -0.207,21 5.215,22 0.728,23 4.33,24 17.902,25 -0.222,26 -0.222,27 3.832,28 20.118,29 -1.338,30 -1.338,31 -0.479,32 3.942,33 0.999,34 29.483,35 -0.728,36 4.913,37 5.118,38 44.488,39 3.486,40 1,41 14.583,42 -0.494,43 -0.494,44 4.2,45 3.834,46 136.048,47 2.445,48 3.449,49 1.222,50 1.676,51 3.047,52 0.481,53 3.375,54 3.88,55 3.986,56 268.07,57 4.54,58 0.108,59 3.364,60 2.707,61 40.003,62 -0.264,63 3.397,64 4.652,65 27.928,66 2.027,67 17.957,68 4.603,69 2.978,70 8.08,71 -0.575,72 -0.575,73 5.299,74 2.365,75 0.114,76 4.744,77 2.359,78 175.367,79 201.367,80 12.293,81 44,82 0.24,83 4.49,84 10.222,85 17.447,86 17.447,87 17.447,88 17.447,89 17.447,90 2.545,91 6.447,92 20.285,93 1.434,94 212.877,95 40,97 206.122,98 7.976,99 1.481,100 0.146,101 19.085,102 119.891,103 14.793,104 1.468,105 4.665,106 1.173,107 0.222,108 206.122,109 7.776,110 1027.18,111 1.659,112 2.729,113 0.186,114 4.441,115 116.096,116 379.883,117 12266.9,118 1.66,119 7933,120 5.333,121 15.058,122 0.165,123 3.819,124 7.75,125 554,126 3.083,127 16.803,128 3.268,129 1.532,131 5.886,132 2.659,133 2.659,134 9.186,135 3.988,136 1.461,137 1.461,138 4.62,139 5.8}
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{0 CHEMBL1980896,1 0.821,2 1.107,3 122.751,4 2.715,5 1.062,6 2.735,7 1.227,8 64.984,9 0.867,10 0.886,11 2.875,12 0.555,13 1.183,14 2.925,15 1.072,16 1.088,17 1.227,18 4.109,19 4.433,20 -0.167,21 4.883,22 0.792,23 4.323,24 19.426,25 -0.216,26 -0.216,27 3.914,28 35.31,29 -0.631,30 -0.631,31 -0.228,32 3.956,33 1.098,34 32.904,35 -0.362,36 4.7,37 4.836,38 46.399,39 3.583,41 15.963,42 -0.275,43 -0.275,44 4.095,45 3.864,46 163.193,47 2.552,48 3.534,49 1.181,50 1.595,51 3.111,52 0.592,53 3.278,54 3.999,55 4.07,56 338.27,57 4.585,58 0.101,59 3.3,60 2.631,61 42.665,62 0.206,63 3.281,64 4.724,65 31.001,66 1.997,67 19.482,68 4.736,69 3.007,70 8.42,71 -0.533,72 -0.533,73 6.189,74 2.312,75 0.107,76 4.756,77 2.26,78 194.477,79 214.477,80 13.508,81 45,82 0.227,83 4.545,84 11.019,85 18.809,86 18.809,87 18.809,88 18.809,89 18.809,90 2.432,91 6.659,92 20.69,93 1.441,94 226.477,95 42,97 214.477,98 8.282,99 1.406,100 0.137,101 27,102 142.315,103 19.31,104 1.245,105 4.688,106 1.164,107 0.22,108 214.477,109 8.079,110 1404.72,111 1.561,112 2.96,113 0.118,114 4.563,115 130.606,116 469.414,117 19048,118 1.608,119 10734,120 6.056,121 14.581,122 0.153,123 4.016,124 7.602,125 728,126 3.091,127 19.673,128 3.374,129 1.94,131 5.926,132 2.627,133 2.627,134 10.286,135 4.089,136 1.645,137 1.645,138 4.78,139 5.8}
{0 CHEMBL1980995,1 1.115,2 1.553,3 304.128,4 2.985,5 1.55,6 2.985,7 1.634,8 83.28,9 1.195,10 1.293,11 3.221,12 0.845,13 2.371,14 3.293,15 1.517,16 1.54,17 1.632,18 4.389,19 5.021,20 1.044,21 7.347,22 2.063,23 4.873,24 25.55,25 1.138,26 1.138,27 4.309,28 52.426,29 2.394,30 2.394,31 0.876,32 4.37,33 2.126,34 41.762,35 1.064,36 6.441,37 7.081,38 68.189,39 3.832,40 4,41 21.802,42 0.939,43 0.939,44 4.366,45 4.263,46 227.775,47 3.06,48 3.826,49 1.604,50 1.944,51 3.461,52 1.879,53 3.488,54 4.318,55 4.332,56 383.55,57 5.369,58 0.086,59 3.624,60 3.853,61 61.109,62 1.149,63 3.623,64 5.717,65 40.025,66 2.39,67 25.037,68 5.058,69 3.397,70 12.073,71 2.822,72 2.822,73 8.596,74 3.789,75 0.09,76 5.531,77 2.736,78 301.51,79 323.51,80 17.08,81 68,82 0.191,83 5.178,84 13.618,85 24.479,86 24.479,87 24.479,88 24.479,89 24.479,90 3.658,91 9.596,92 28.668,93 2.039,94 361.775,95 61,97 339.51,98 9.056,99 1.751,100 0.113,101 25.211,102 176.229,103 20.312,104 1.675,105 5.337,106 1.577,107 0.187,108 331.51,109 11.765,110 1821.68,111 1.944,112 3.042,113 0.591,114 5.532,115 177.525,116 507.97,117 24785.1,118 1.937,119 14300,120 7.347,121 25.463,122 0.122,123 4.034,124 12.067,125 655,126 3.462,127 23.637,128 3.592,129 2.327,131 9.887,132 3.178,133 3.178,134 13.078,135 4.573,136 2.07,137 2.07,138 5.104,139 8.1}
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{0 CHEMBL1981047,1 1.064,2 1.523,4 2.91,5 1.526,6 2.925,7 1.656,8 180.491,9 1.153,10 1.222,11 3.117,12 0.924,13 2.404,14 3.206,15 1.47,16 1.513,17 1.622,18 4.114,19 5.036,20 1,21 5.342,22 2,23 4.847,24 24.994,25 1,26 1,27 4.153,28 41.766,29 2.136,30 2.136,31 0.965,32 4.409,33 2.07,34 42.534,35 1,36 5.037,37 5.209,38 73.6,39 3.772,40 1,41 21.71,42 1,43 1,44 4.064,45 4.281,46 235.685,47 2.659,48 3.763,49 1.597,50 1.778,51 3.398,52 1.967,53 3.529,54 4.18,55 4.293,56 429.83,57 5.216,58 0.079,59 3.575,60 3.414,61 65.196,62 1,63 3.567,64 5.413,65 40.594,66 2.31,67 24.521,68 5.067,69 3.345,70 11.595,71 2.275,72 2.275,73 6.755,74 3.764,75 0.082,76 5.453,77 2.53,78 306.66,79 339.189,80 17.029,81 69,82 0.171,83 5.069,84 13.963,85 23.955,86 23.955,87 23.955,88 23.955,89 23.955,90 3.335,91 9.341,92 26.353,93 1.619,94 391.454,95 65,96 6.355,97 341.944,98 8.928,99 1.537,100 0.107,101 45.249,102 192.327,103 23.704,104 1.686,105 5.266,106 1.541,107 0.195,108 341.944,109 11.3,110 2403.24,111 1.712,112 2.932,113 0.642,114 5.168,115 167.525,116 595.598,117 38865.2,118 1.804,119 20629,120 7.694,121 27.358,122 0.115,123 4.655,124 12.133,125 1173,126 3.356,127 24.363,128 3.588,129 2.096,130 3,131 8.831,132 2.904,133 2.904,134 13.023,135 4.341,136 1.709,137 1.709,138 5.098,139 6.7}
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{0 CHEMBL1981410,1 0.922,2 1.324,4 2.856,5 1.406,6 2.843,7 1.551,9 0.993,10 1.08,11 3.06,12 0.613,13 1.696,14 3.138,15 1.242,16 1.197,17 1.525,18 4.058,19 4.786,20 0.496,21 5.088,22 1.459,23 4.621,24 22.27,25 0.541,26 0.541,27 3.972,28 26.519,29 0.277,30 0.277,31 0.108,32 4.227,33 1.351,34 35.398,35 0.133,36 4.82,37 4.977,38 61.038,39 3.589,41 19.553,42 0.115,43 0.115,44 4.016,45 4.1,46 208.644,47 2.54,48 3.618,49 1.398,50 1.771,51 3.379,52 1.058,53 3.438,54 3.957,55 4.226,56 381.98,57 4.908,58 0.081,59 3.357,60 3.015,61 54.647,62 0.648,63 3.346,64 5.09,65 35.229,66 2.271,67 22.686,68 4.964,69 3.289,70 9.816,71 0.978,72 0.978,73 4.884,74 2.968,75 0.092,76 5.121,77 2.422,78 247.315,79 273.315,80 15.83,81 56,82 0.198,83 4.841,84 12.848,85 22.013,86 22.013,87 22.013,88 22.013,89 22.013,90 2.882,91 7.998,92 23.75,93 1.509,94 303.58,95 53,97 282.07,98 8.755,99 1.495,100 0.116,101 36.562,102 178.376,103 22.717,104 1.59,105 5.037,106 1.208,107 0.205,108 280.07,109 9.674,110 2084.57,111 1.775,112 2.939,113 0.245,114 4.878,115 157.71,116 512.317,117 32725.3,118 1.766,119 16905,120 7.167,121 17.507,122 0.124,123 4.387,124 9.695,125 967,126 3.351,127 23.424,128 3.531,129 1.845,131 7.154,132 2.803,133 2.803,134 12.628,135 4.114,136 1.59,137 1.59,138 5.019,139 5.8}
{0 CHEMBL1981720,1 0.39,2 0.881,4 2.328,5 0.872,6 2.285,7 1.009,9 0.498,10 0.683,11 2.611,12 0.234,13 0.5,14 2.705,15 0.838,16 0.8,17 1.035,18 4.099,19 4.148,20 -0.931,21 3.97,22 -0.017,23 4.002,24 13.612,25 -1,26 -1,27 3.445,28 11.851,29 -2.347,30 -2.347,31 -0.977,32 3.691,33 0.482,34 21.767,35 -1.5,36 4.025,37 4.094,38 34.947,39 3.118,41 11.652,42 -1,43 -1,44 4.069,45 3.572,46 96.686,47 1.916,48 3.138,49 1.063,50 1.474,51 2.875,52 -0.059,53 2.988,54 3.447,55 3.744,56 221.01,57 4.128,58 0.135,59 3.125,60 1.799,61 31.487,62 -1,63 3.075,64 4.296,65 21.402,66 1.562,67 14.137,68 4.283,69 2.811,70 5.909,71 -2.258,72 -2.258,73 2.702,74 1.672,75 0.138,76 4.327,77 1.858,78 127.97,79 149.58,80 9.826,81 33,82 0.296,83 4.201,84 8.526,85 13.845,86 13.845,87 13.845,88 13.845,89 13.845,90 1.555,91 4.849,92 15.197,93 0.915,94 153.58,95 31,97 153.58,98 7.331,99 1.166,100 0.183,101 13.3,102 88.863,103 12.363,104 1.189,105 4.397,106 0.926,107 0.257,108 153.58,109 5.82,110 615.075,111 1.364,112 2.521,114 4.09,115 86.439,116 315.111,117 6340.91,118 1.501,119 4018,120 4.472,121 7.911,122 0.204,123 3.356,124 5.517,125 379,126 2.585,127 13.786,128 3.057,129 1.025,131 3.433,132 2.236,133 2.236,134 7.308,135 3.504,136 1,137 1,138 4.298,139 5.3}
{0 CHEMBL1981725,1 1.284,2 1.665,3 200.852,4 3.178,5 1.628,6 3.192,7 1.847,8 103.808,9 1.321,10 1.401,11 3.366,12 1.038,13 2.805,14 3.405,15 1.48,16 1.513,17 1.844,18 4.21,19 5.175,20 1.353,21 5.951,22 2.377,23 5.003,24 32.662,25 1.414,26 1.414,27 4.406,28 46.854,29 2.939,30 2.939,31 1.315,32 4.603,33 2.686,34 54.336,35 1.752,36 5.489,37 5.805,38 88.933,39 4.042,40 1,41 27.829,42 1.339,43 1.339,44 4.167,45 4.48,46 281.715,47 3.251,48 4.031,49 1.808,50 1.963,51 3.769,52 2.329,53 3.798,54 4.432,55 4.576,56 537.42,57 5.322,58 0.061,59 3.777,60 3.878,61 79.141,62 1.469,63 3.778,64 5.591,65 52.118,66 2.491,67 32.582,68 5.476,69 3.716,70 15.165,71 3.094,72 3.094,73 8.256,74 4.895,75 0.064,76 5.54,77 2.964,78 368.415,79 445.634,80 22.551,81 85,82 0.135,83 5.269,84 18.806,85 31.902,86 31.902,87 31.902,88 31.902,89 31.902,90 3.609,91 12.293,92 35.887,93 2.163,94 497.999,95 79,96 4.881,97 463.244,98 9.74,99 1.833,100 0.082,101 72.839,102 272.506,103 29.758,104 1.932,105 5.483,106 1.726,107 0.167,108 463.244,109 14.878,110 4406.95,111 1.968,112 3.206,113 0.825,114 5.352,115 244.084,116 728.343,117 85862.2,118 1.963,119 42981,120 10.056,121 27.978,122 0.091,123 5.493,124 14.51,125 1845,126 3.611,127 31.459,128 3.853,129 2.452,130 2,131 10.832,132 2.895,133 2.895,134 17.044,135 4.582,136 2.309,137 2.309,138 5.487,139 5.8}
{0 CHEMBL1981782,1 0.594,2 1.052,3 96.601,4 2.306,5 1.01,6 2.315,7 1.084,8 55.925,9 0.667,10 0.85,11 2.55,12 0.335,13 0.636,14 2.631,15 0.909,16 0.913,17 1.095,18 4.14,19 4.257,20 -0.792,21 3.951,22 0.139,23 4.125,24 15.027,25 -0.857,26 -0.857,27 3.617,28 17.752,29 -2.512,30 -2.512,31 -0.859,32 3.772,33 0.496,34 25,35 -1.306,36 4.078,37 3.932,38 38.167,39 3.266,40 1,41 12.619,42 -1,43 -1,44 4.097,45 3.661,46 127.058,47 2.067,48 3.258,49 1.097,50 1.58,51 2.967,52 0.004,53 3.046,54 3.654,55 3.826,56 260.37,57 4.338,58 0.12,59 3.142,60 2.103,61 34.8,62 -0.682,63 3.135,64 4.359,65 24.089,66 1.834,67 15.134,68 4.392,69 2.913,70 6.513,71 -2.33,72 -2.33,73 3.874,74 1.827,75 0.123,76 4.56,77 1.63,78 151.464,79 168.974,80 10.614,81 36,82 0.258,83 4.347,84 8.684,85 14.74,86 14.74,87 14.74,88 14.74,89 14.74,90 1.763,91 5.228,92 16.008,93 1.06,94 172.974,95 34,97 170.974,98 7.578,99 1.229,100 0.164,101 16.983,102 103.418,103 15.154,104 1.268,105 4.513,106 1.059,107 0.25,108 170.974,109 6.328,110 811.506,111 1.464,112 2.656,114 4.139,115 98.107,116 368.677,117 9320.49,118 1.618,119 5641,120 4.806,121 7.272,122 0.184,123 3.56,124 5.986,125 492,126 2.914,127 15.527,128 3.145,129 1.236,131 4.261,132 2.5,133 2.5,134 8.051,135 3.737,136 1.103,137 1.103,138 4.436,139 5.8}
{0 CHEMBL1982122,1 0.821,2 1.107,3 106.397,4 2.715,5 1.062,6 2.735,7 1.175,8 56.975,9 0.886,10 0.912,11 2.854,12 0.538,13 1.003,14 2.925,15 1.107,16 1.168,17 1.192,18 4.11,19 4.535,20 -0.203,21 4.97,22 0.662,23 4.393,24 18.566,25 -0.23,26 -0.23,27 3.867,28 27.95,29 -1.183,30 -1.183,31 -0.494,32 4.014,33 0.824,34 32.211,35 -0.669,36 4.71,37 4.89,38 49.946,39 3.566,40 1,41 15.707,42 -0.521,43 -0.521,44 4.091,45 3.908,46 153.285,47 2.262,48 3.512,49 1.181,50 1.774,51 3.081,52 0.436,53 3.304,54 3.949,55 4.008,56 312.72,57 4.655,58 0.101,59 3.405,60 2.607,61 44.778,62 -0.326,63 3.41,64 4.883,65 30.181,66 1.779,67 18.644,68 4.663,69 3.028,70 8.566,71 -0.492,72 -0.492,73 5.269,74 2.632,75 0.106,76 4.864,77 2.103,78 195.159,79 224.379,80 12.831,81 48,82 0.219,83 4.635,84 11.185,85 18.231,86 18.231,87 18.231,88 18.231,89 18.231,90 2.507,91 6.889,92 20.167,93 1.251,94 247.133,95 45,97 227.133,98 8.091,99 1.513,100 0.138,101 24.982,102 127.724,103 16.984,104 1.373,105 4.84,106 1.181,107 0.223,108 227.133,109 8.321,110 1159.91,111 1.793,112 2.687,113 0.218,114 4.665,115 114.211,116 453.991,117 14595.9,118 1.758,119 8514,120 5.833,121 16.456,122 0.156,123 3.923,124 7.85,125 617,126 2.81,127 17.769,128 3.304,129 1.518,131 6.751,132 2.7,133 2.7,134 9.573,135 4.047,136 1.287,137 1.287,138 4.671,139 5.8}
{0 CHEMBL1982135,1 0.839,2 1.29,3 164.887,4 2.795,5 1.284,6 2.814,7 1.418,8 43.912,9 0.893,10 1.104,11 3,12 0.604,13 1.421,14 3.103,15 1.188,16 1.161,17 1.468,18 4.157,19 4.639,20 0.178,21 5.572,22 1.145,23 4.493,24 20.554,25 0.187,26 0.187,27 3.999,28 29.176,29 -0.195,30 -0.195,31 -0.078,32 4.111,33 1.287,34 34.461,35 -0.101,36 5.147,37 5.476,38 53.527,39 3.639,40 1,41 16.987,42 -0.08,43 -0.08,44 4.141,45 3.997,46 184.775,47 2.684,48 3.602,49 1.379,50 1.702,51 3.256,52 0.91,53 3.342,54 4.064,55 4.121,56 337.02,57 4.801,58 0.099,59 3.341,60 2.993,61 48.098,62 0.396,63 3.336,64 5.017,65 32.697,66 2.082,67 20.226,68 4.797,69 3.169,70 9.37,71 0.466,72 0.466,73 6.395,74 2.824,75 0.102,76 4.991,77 2.414,78 225.672,79 251.323,80 14.097,81 52,82 0.215,83 4.721,84 11.517,85 19.809,86 19.809,87 19.809,88 19.809,89 19.809,90 2.586,91 7.49,92 22.482,93 1.619,94 268.078,95 48,97 257.323,98 8.392,99 1.51,100 0.131,101 28.243,102 147.498,103 18.226,104 1.553,105 4.888,106 1.227,107 0.211,108 257.323,109 9.057,110 1490.76,111 1.693,112 2.936,113 0.189,114 4.798,115 138.881,116 453.433,117 20074.5,118 1.696,119 11765,120 6.194,121 16.518,122 0.145,123 4.089,124 8.983,125 764,126 3.16,127 19.957,128 3.408,129 1.906,131 7.371,132 2.804,133 2.804,134 10.696,135 4.203,136 1.731,137 1.731,138 4.83,139 5.8}
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{0 CHEMBL1982711,1 0.397,2 0.81,3 69.919,4 2.201,5 0.792,6 2.206,7 1.062,8 36.678,9 0.48,10 0.564,11 2.369,12 0.218,13 0.418,14 2.447,15 0.74,16 0.694,17 1.107,18 4.166,19 4.062,20 -1.003,21 4.29,23 3.945,24 12.953,25 -1,26 -1,27 3.511,28 15,29 -3.311,30 -3.311,31 -1.036,32 3.609,33 0.074,34 21.375,35 -1.714,36 4.357,37 4.431,38 32.309,39 3.144,41 10.769,42 -1.277,43 -1.277,44 4.134,45 3.504,46 100.111,47 1.982,48 3.137,49 1.17,50 1.453,51 2.921,52 -0.414,53 2.868,54 3.539,55 3.688,56 216.86,57 4.15,58 0.149,59 3.06,60 1.88,61 29.491,62 -1.029,63 3.023,64 4.322,65 20.714,66 1.58,67 12.984,68 4.171,69 2.854,70 5.657,71 -3,72 -3,73 3.318,74 1.569,75 0.154,76 4.305,77 1.616,78 119.272,79 126.881,80 9.165,81 31,82 0.328,83 4.157,84 7.38,85 12.776,86 12.776,87 12.776,88 12.776,89 12.776,90 1.737,91 4.553,92 13.929,93 0.977,94 140.881,95 29,97 130.881,98 7.184,99 1.107,100 0.2,101 12.51,102 81.371,103 12.055,104 1.181,105 4.304,106 0.838,107 0.268,108 130.881,109 5.514,110 528.037,111 1.361,112 2.223,114 4.105,115 76.711,116 300.686,117 5043.41,118 1.478,119 3132,120 4.139,121 6.301,122 0.222,123 3.109,124 5.176,125 320,126 2.601,127 13.405,128 3.011,129 1,131 3.618,132 2.426,133 2.426,134 6.945,135 3.634,136 1,137 1,138 4.219,139 5.8}
{0 CHEMBL1982866,1 0.684,2 1.107,4 2.592,5 1.062,6 2.591,7 1.193,8 60.697,9 0.763,10 0.886,11 2.779,12 0.481,13 0.5,14 2.855,15 1.023,16 1.052,17 1.214,18 4.1,19 4.386,20 -0.742,21 4.369,23 4.221,24 15.337,25 -0.88,26 -0.88,27 3.604,28 15.857,29 -2.347,30 -2.347,31 -0.917,32 3.837,33 0.5,34 25.904,35 -1.424,36 4.466,37 4.533,38 41.638,39 3.282,41 13.219,42 -1,43 -1,44 4.057,45 3.726,46 131.489,47 2,48 3.272,49 1.181,50 1.548,51 2.925,52 -0.003,53 3.067,54 3.629,55 3.83,56 262.46,57 4.374,58 0.129,59 3.221,60 2,61 37.36,62 -0.905,63 3.212,64 4.576,65 24.789,66 1.572,67 15.78,68 4.407,69 2.854,70 6.773,71 -1.782,72 -1.782,73 3.514,74 2.063,75 0.132,76 4.584,77 1.942,78 168.385,79 175.995,80 10.775,81 39,82 0.28,83 4.343,84 9.385,85 15.215,86 15.215,87 15.215,88 15.215,89 15.215,90 1.664,91 5.457,92 16.296,93 1,94 192.75,95 37,97 175.995,98 7.64,99 1.249,100 0.173,101 18.504,102 99.98,103 14.855,104 1.382,105 4.53,106 1.162,107 0.248,108 175.995,109 6.571,110 739.994,111 1.554,112 2.632,113 0.028,114 4.362,115 94.107,116 385.787,117 8114.04,118 1.552,119 4617,120 5,121 13.091,122 0.189,123 3.446,124 7.026,125 387,126 2.64,127 15.364,128 3.147,129 1,131 4.825,132 2.381,133 2.381,134 8.043,135 3.726,136 1,137 1,138 4.423,139 5.8}
{0 CHEMBL1982874,1 1.064,2 1.429,3 100.458,4 2.715,5 1.376,6 2.735,7 1.421,8 179.367,9 1.129,10 1.153,11 2.854,12 0.735,13 1.739,14 2.925,15 1.271,16 1.181,17 1.445,18 4.239,19 4.654,20 0.328,21 5.762,22 1.283,23 4.505,24 20.812,25 0.362,26 0.362,27 3.98,28 21.297,29 0.346,30 0.346,31 0.117,32 4.111,33 1.404,34 33.944,35 0.161,36 5.313,37 5.652,38 52.658,39 3.639,40 2,41 17.189,42 0.127,43 0.127,44 4.202,45 4,46 185.233,47 2.599,48 3.61,49 1.403,50 1.688,51 3.199,52 1.057,53 3.424,54 4.023,55 4.124,56 313.68,57 4.72,58 0.094,59 3.739,60 3.309,61 47.283,62 0.282,63 3.76,64 4.922,65 32.365,66 2.233,67 20.659,68 4.807,69 3.159,70 9.611,71 0.974,72 0.974,73 6.037,74 2.894,75 0.098,76 4.925,77 2.349,78 220.659,79 236.311,80 14.17,81 52,82 0.207,83 4.691,84 11.451,85 20.049,86 20.049,87 20.049,88 20.049,89 20.049,90 3.03,91 7.681,92 23.581,93 1.552,94 261.066,95 47,97 239.066,98 8.447,99 1.454,100 0.126,101 24.568,102 144.095,103 17.313,104 1.513,105 4.888,106 1.259,107 0.206,108 239.066,109 9.374,110 1389.94,111 1.612,112 2.775,113 0.363,114 4.737,115 134.881,116 421.627,117 17983.5,118 1.718,119 11040,120 6.056,121 16.535,122 0.14,123 4.098,124 8.526,125 667,126 3.352,127 19.535,128 3.409,129 1.737,131 7.03,132 2.65,133 2.65,134 10.733,135 4.087,136 1.666,137 1.666,138 4.828,139 5.8}
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{0 CHEMBL1984711,1 1.07,2 1.504,4 2.902,5 1.512,6 2.905,7 1.529,8 89.482,9 1.154,10 1.174,11 3.111,12 0.798,13 1.576,14 3.206,15 1.449,16 1.513,17 1.536,18 4.045,19 4.891,20 0.342,21 4.949,22 1.27,23 4.715,24 21.937,25 0.396,26 0.396,27 3.965,28 34.883,29 0.48,30 0.48,31 0.292,32 4.29,33 1.445,34 37.222,35 0.373,36 4.691,37 4.86,38 65.896,39 3.613,41 19.557,42 0.349,43 0.349,44 4.008,45 4.174,46 201.84,47 2.607,48 3.62,49 1.572,50 1.596,51 3.345,52 1.192,53 3.303,54 3.982,55 4.17,56 376.06,57 4.966,58 0.085,59 3.5,60 2.923,61 58.538,62 0.685,63 3.48,64 5.202,65 35.761,66 2.094,67 22.369,68 4.899,69 3.284,70 10.107,71 0.603,72 0.603,73 5.38,74 3.453,75 0.09,76 5.183,77 2.154,78 247.75,79 270.969,80 15.195,81 61,82 0.192,83 4.903,84 12.822,85 21.574,86 21.574,87 21.574,88 21.574,89 21.574,90 2.859,91 8.245,92 23.057,93 1.588,94 339.763,95 58,97 287.498,98 8.588,99 1.391,100 0.118,101 33.521,102 163.516,103 21.715,104 1.59,105 5.11,106 1.543,107 0.208,108 279.234,109 9.847,110 1794.63,111 1.608,112 2.923,113 0.563,114 4.987,115 141.58,116 548.966,117 26495.4,118 1.605,119 14065,120 7.083,121 24.437,122 0.13,123 4.306,124 11.267,125 883,126 3.145,127 21.631,128 3.471,129 1.873,131 8.44,132 2.718,133 2.718,134 11.401,135 4.102,136 1.63,137 1.63,138 4.927,139 6.8}
{0 CHEMBL1984788,1 0.865,2 1.291,3 104.303,4 2.733,5 1.266,6 2.733,7 1.335,8 52.886,9 0.919,10 0.984,11 2.895,12 0.579,13 0.988,14 2.955,15 1.077,16 1.11,17 1.365,18 4.177,19 4.599,20 -0.287,21 5.187,22 0.488,23 4.444,24 18.206,25 -0.41,26 -0.41,27 3.88,28 28.356,29 -1.34,30 -1.34,31 -0.503,32 4.027,33 0.742,34 30.364,35 -0.62,36 4.905,37 5.075,38 49.808,39 3.486,40 1,41 15.459,42 -0.549,43 -0.549,44 4.143,45 3.906,46 174.466,47 2.355,48 3.473,49 1.359,50 1.588,51 3.174,52 0.386,53 3.278,54 3.919,55 4,56 308.07,57 4.77,58 0.107,59 3.27,60 2.595,61 44.64,62 0.045,63 3.247,64 4.919,65 29.226,66 1.89,67 17.781,68 4.624,69 3.091,70 8.449,71 -1.095,72 -1.095,73 5.052,74 2.678,75 0.111,76 4.996,77 2.221,78 210.605,79 230.215,80 12.525,81 47,82 0.232,83 4.745,84 10.147,85 17.447,86 17.447,87 17.447,88 17.447,89 17.447,90 2.457,91 6.797,92 19.304,93 1.338,94 240.215,95 44,97 230.215,98 8.091,99 1.31,100 0.144,101 23.385,102 126.421,103 17.317,104 1.428,105 4.949,106 1.266,107 0.228,108 230.215,109 8.285,110 1135.44,111 1.513,112 2.799,113 0.131,114 4.691,115 122.211,116 418.689,117 13883.4,118 1.62,119 7976,120 5.583,121 14.749,122 0.161,123 3.75,124 7.736,125 581,126 3.058,127 18.259,128 3.305,129 1.758,131 6.873,132 2.719,133 2.719,134 9.673,135 4.052,136 1.365,137 1.365,138 4.671,139 6}
{0 CHEMBL1984842,1 0.88,2 1.356,3 140.57,4 2.823,5 1.354,6 2.805,7 1.47,8 72.017,9 0.94,10 1.069,11 3.047,12 0.774,13 1.825,14 3.1,15 1.315,16 1.417,17 1.447,18 4.201,19 4.962,20 0.653,21 5.628,22 1.632,23 4.775,24 23.837,25 0.719,26 0.719,27 4.089,28 29.654,29 1.03,30 1.03,31 0.383,32 4.364,33 1.648,34 41.017,35 0.512,36 5.231,37 5.576,38 71.731,39 3.726,40 1,41 20.069,42 0.428,43 0.428,44 4.158,45 4.238,46 238.248,47 2.741,48 3.717,49 1.417,50 1.9,51 3.335,52 1.33,53 3.671,54 4.113,55 4.253,56 411.27,57 5.202,58 0.086,59 3.586,60 3.414,61 63.381,62 0.771,63 3.578,64 5.138,65 39.263,66 2.202,67 23.171,68 4.999,69 3.281,70 11.025,71 1.617,72 1.617,73 5.232,74 3.743,75 0.091,76 5.478,77 2.467,78 301.939,79 327.549,80 16.27,81 66,82 0.191,83 5.021,84 13.1,85 22.593,86 22.593,87 22.593,88 22.593,89 22.593,90 3.035,91 8.939,92 24.156,93 1.67,94 376.569,95 63,97 327.549,98 8.911,99 1.655,100 0.116,101 39.301,102 179.723,103 24.06,104 1.776,105 5.223,106 1.417,107 0.203,108 327.549,109 10.62,110 2053.02,111 1.901,112 2.915,113 0.469,114 4.929,115 164.974,116 618.431,117 30707.1,118 1.879,119 14734,120 7.417,121 25.204,122 0.129,123 4.271,124 12.51,125 825,126 3.309,127 24.294,128 3.561,129 1.946,131 9.052,132 2.765,133 2.765,134 12.577,135 4.26,136 1.818,137 1.818,138 5.05,139 5.8}
{0 CHEMBL1985074,1 0.173,2 0.809,4 2.148,5 0.786,6 2.17,7 1.046,9 0.228,10 0.586,11 2.343,12 0.233,13 -0.069,14 2.39,15 0.48,16 0.507,17 1.068,18 4.119,19 4.148,20 -1.187,21 4.382,22 -0.354,23 4.014,24 12.703,25 -1.334,26 -1.334,27 3.518,28 20.701,29 -4.205,30 -4.205,31 -1.346,32 3.583,33 -0.191,34 21.779,35 -1.884,36 4.511,37 4.644,38 32.146,39 3.2,41 10.828,42 -1.494,43 -1.494,44 4.1,45 3.493,46 111.72,47 1.349,48 3.137,49 1.092,50 1.317,51 2.924,52 -0.69,53 3.083,54 3.602,55 3.639,56 223.25,57 4.207,58 0.156,59 3.017,60 1.62,61 29.349,62 -1.153,63 3.026,64 4.234,65 20.406,66 1.537,67 12.693,68 4.09,69 2.862,70 5.736,71 -3.424,72 -3.424,73 4.256,74 1.705,75 0.163,76 4.355,77 1.055,78 127.372,79 132.127,80 8.703,81 31,82 0.342,83 4.222,84 6.987,85 12.232,86 12.232,87 12.232,88 12.232,89 12.232,90 1.316,91 4.456,92 13.235,93 0.42,94 140.881,95 29,97 132.127,98 7.058,99 1.061,100 0.211,101 9.852,102 73.854,103 11.969,104 1.202,105 4.373,106 0.829,107 0.275,108 132.127,109 5.421,110 436.653,111 1.32,112 2.447,114 4.066,115 75.059,116 309.695,117 3916.98,118 1.298,119 2480,120 3.972,121 12.131,122 0.233,123 2.942,124 5.676,125 267,126 2.574,127 12.698,128 2.963,129 1.195,131 5.109,132 2.308,133 2.308,134 6.656,135 3.731,136 0.559,137 0.559,138 4.142,139 5.8}
{0 CHEMBL1985092,1 0.821,2 1.107,4 2.715,5 1.062,6 2.735,7 1.105,8 74.607,9 0.875,10 0.886,11 2.854,12 0.318,13 1.096,14 2.925,15 1.099,16 1.114,17 1.107,18 4.114,19 4.427,20 -0.213,21 5.056,22 0.708,23 4.316,24 18.609,25 -0.233,26 -0.233,27 3.861,28 20.83,29 -0.602,30 -0.602,31 -0.25,32 3.988,33 1.061,34 31.114,35 -0.343,36 4.804,37 5.056,38 47.764,39 3.509,40 1,41 15.484,42 -0.272,43 -0.272,44 4.078,45 3.89,46 134.535,47 2.241,48 3.498,49 1.181,50 1.557,51 2.944,52 0.664,53 3.042,54 3.891,55 4.038,56 315.57,57 4.605,58 0.106,59 3.516,60 2.561,61 43.469,62 0.041,63 3.491,64 4.79,65 30.009,66 2.044,67 18.65,68 4.694,69 2.918,70 8.25,71 -0.565,72 -0.565,73 4.401,74 2.34,75 0.108,76 4.801,77 2.137,78 168.31,79 199.329,80 13.097,81 46,82 0.23,83 4.58,84 10.793,85 18.309,86 18.309,87 18.309,88 18.309,89 18.309,90 2.333,91 6.675,92 20.285,93 1.208,94 233.329,95 43,97 213.329,98 8.243,99 1.341,100 0.141,101 24.335,102 131.815,103 17.613,104 1.378,105 4.742,106 1.181,107 0.222,108 207.329,109 8.058,110 1184.32,111 1.443,112 2.737,113 0.169,114 4.584,115 120.382,116 451.719,117 15019.2,118 1.616,119 8365,120 5.861,121 10.224,122 0.153,123 3.85,124 7.493,125 537,126 3.113,127 18.803,128 3.341,129 1.393,131 5.655,132 2.61,133 2.61,134 9.888,135 3.982,136 1.287,137 1.287,138 4.722,139 5.8}
{0 CHEMBL1985095,1 0.943,2 1.415,3 329.488,4 2.805,5 1.386,6 2.851,7 1.493,8 176.034,9 1.018,10 1.215,11 2.906,12 0.649,13 2.283,14 2.961,15 1.328,16 1.255,17 1.47,18 4.234,19 4.653,20 0.771,21 5.986,22 1.764,23 4.523,24 22.371,25 0.818,26 0.818,27 4.083,28 24.241,29 1.385,30 1.385,31 0.469,32 4.162,33 1.977,34 35.949,35 0.728,36 5.472,37 5.82,38 54.694,39 3.683,40 4,41 18.389,42 0.494,43 0.494,44 4.205,45 4.049,46 193.885,47 2.585,48 3.668,49 1.411,50 1.774,51 3.393,52 1.451,53 3.43,54 4.121,55 4.224,56 336.88,57 4.788,58 0.087,59 3.34,60 3.464,61 49.534,62 0.587,63 3.347,64 4.967,65 34.686,66 2.246,67 22.354,68 4.942,69 3.354,70 9.876,71 2.143,72 2.143,73 6.664,74 2.717,75 0.089,76 4.966,77 2.535,78 241.469,79 267.121,80 15.564,81 54,82 0.186,83 4.719,84 12.692,85 21.911,86 21.911,87 21.911,88 21.911,89 21.911,90 3.392,91 7.911,92 25.372,93 1.553,94 275.121,95 49,97 269.121,98 8.737,99 1.546,100 0.116,101 28.75,102 164.222,103 19.259,104 1.501,105 4.87,106 1.356,107 0.199,108 269.121,109 9.616,110 1736.33,111 1.698,112 2.923,113 0.264,114 4.783,115 160,116 457.691,117 24140.9,118 1.802,119 13786,120 6.722,121 13.377,122 0.128,123 4.233,124 8.883,125 741,126 3.311,127 21.819,128 3.503,129 1.786,131 6.691,132 2.896,133 2.896,134 11.758,135 4.233,136 1.626,137 1.626,138 4.972,139 5.8}
{0 CHEMBL1985311,1 0.83,2 1.21,3 129.381,4 2.715,5 1.221,6 2.735,7 1.426,8 69.082,9 0.893,10 0.975,11 2.854,12 0.457,13 1.376,14 2.941,15 1.111,16 1.162,17 1.405,18 4.166,19 4.567,20 0.16,21 4.875,22 1.099,23 4.434,24 19.748,25 0.175,26 0.175,27 3.901,28 22.719,29 -0.131,30 -0.131,31 -0.057,32 4.101,33 1.302,34 32.205,35 -0.075,36 4.682,37 4.796,38 53.156,39 3.524,41 16.885,42 -0.06,43 -0.06,44 4.13,45 3.981,46 175.017,47 2.486,48 3.535,49 1.354,50 1.694,51 3.272,52 0.907,53 3.386,54 3.912,55 4.104,56 328.43,57 4.749,58 0.099,59 3.249,60 2.843,61 47.862,62 0.517,63 3.218,64 4.909,65 31.608,66 2.143,67 19.941,68 4.788,69 3.229,70 8.718,71 0.398,72 0.398,73 4.524,74 2.5,75 0.101,76 4.952,77 2.347,78 213.092,79 244.311,80 14.046,81 50,82 0.215,83 4.681,84 11.452,85 19.679,86 19.679,87 19.679,88 19.679,89 19.679,90 2.591,91 7.101,92 21.383,93 1.473,94 261.066,95 47,97 249.066,98 8.386,99 1.313,100 0.132,101 28.533,102 149.536,103 19.086,104 1.466,105 4.86,106 1.181,107 0.216,108 249.066,109 8.578,110 1525.66,111 1.544,112 2.705,113 0.218,114 4.705,115 136.881,116 456.561,117 21467.2,118 1.746,119 11871,120 6.389,121 13.287,122 0.146,123 4.103,124 8.126,125 766,126 3.187,127 20.38,128 3.408,129 1.819,131 6.523,132 2.679,133 2.679,134 10.701,135 4.019,136 1.507,137 1.507,138 4.833,139 5.8}
{0 CHEMBL1985406,1 0.676,2 1.042,3 88.662,4 2.529,5 1.074,6 2.518,7 1.13,8 50.422,9 0.758,10 0.829,11 2.714,12 0.457,13 0.674,14 2.785,15 1.014,16 0.999,17 1.139,18 4.162,19 4.406,20 -0.638,21 4.736,22 0.428,23 4.251,24 15.707,25 -0.622,26 -0.622,27 3.667,28 17.212,29 -2.22,30 -2.22,31 -0.8,32 3.87,33 0.651,34 25.676,35 -1.173,36 4.595,37 4.7,38 43.29,39 3.311,41 13.43,42 -0.818,43 -0.818,44 4.126,45 3.753,46 140.75,47 2.191,48 3.312,49 1.138,50 1.68,51 2.988,52 0.167,53 3.187,54 3.68,55 3.867,56 265.69,57 4.47,58 0.124,59 3.226,60 2.236,61 38.843,62 -0.6,63 3.211,64 4.591,65 25.233,66 1.774,67 15.698,68 4.443,69 2.934,70 7.21,71 -1.292,72 -1.292,73 3.558,74 2.421,75 0.126,76 4.677,77 2.014,78 171.157,79 188.666,80 11.097,81 40,82 0.266,83 4.502,84 9.137,85 15.508,86 15.508,87 15.508,88 15.508,89 15.508,90 2,91 5.887,92 16.414,93 1.182,94 199.421,95 38,97 190.666,98 7.75,99 1.319,100 0.166,101 18.609,102 106.769,103 15.479,104 1.38,105 4.702,106 1.039,107 0.247,108 190.666,109 7.075,110 844.011,111 1.562,112 2.626,113 0.032,114 4.393,115 104.042,116 366.541,117 9446.67,118 1.711,119 5220,120 5.139,121 11.871,122 0.184,123 3.456,124 7.152,125 450,126 2.806,127 16.397,128 3.189,129 1.353,131 5.81,132 2.413,133 2.413,134 8.571,135 3.737,136 1.213,137 1.213,138 4.492,139 5.8}
{0 CHEMBL1985566,1 1.147,2 1.551,4 3.073,5 1.548,6 3.041,7 1.628,9 1.207,10 1.367,11 3.284,12 1.003,13 2.59,14 3.332,15 1.521,16 1.526,17 1.636,18 4.108,19 5.098,20 1.108,21 5.849,22 2.118,23 4.947,24 29.904,25 1.119,26 1.119,27 4.333,28 47.033,29 2.44,30 2.44,31 1,32 4.512,33 2.5,34 50.5,35 1.5,36 5.333,37 5.659,38 82.644,39 3.972,41 26.097,42 1.052,43 1.052,44 4.082,45 4.407,46 264.291,47 3.047,48 3.958,49 1.649,50 1.903,51 3.501,52 2,53 3.68,54 4.365,55 4.483,56 518.56,57 5.289,58 0.066,59 3.72,60 3.538,61 74.087,62 1.388,63 3.721,64 5.574,65 48.32,66 2.523,67 29.882,68 5.344,69 3.45,70 13.864,71 2.784,72 2.784,73 7.628,74 4.418,75 0.067,76 5.485,77 2.741,78 355.619,79 411.235,80 20.606,81 79,82 0.139,83 5.212,84 17.347,85 29.203,86 29.203,87 29.203,88 29.203,89 29.203,90 3.426,91 11.158,92 32.304,93 2.012,94 459.5,95 74,96 2.316,97 420.745,98 9.439,99 1.781,100 0.088,101 69.714,102 246.184,103 27.962,104 1.843,105 5.39,106 1.576,107 0.176,108 420.745,109 13.559,110 3737.47,111 1.899,112 3.201,113 0.643,114 5.338,115 216.477,116 697.363,117 71355.5,118 1.906,119 36363,120 9.333,121 28.114,122 0.095,123 5.293,124 13.65,125 1741,126 3.538,127 28.89,128 3.764,129 2.55,130 1,131 11.446,132 2.87,133 2.87,134 15.531,135 4.564,136 2.072,137 2.072,138 5.356,139 5.8}
{0 CHEMBL1985580,1 0.821,2 1.279,4 2.721,5 1.278,6 2.735,7 1.439,9 0.886,10 1.077,11 2.939,12 0.667,13 2.215,14 3.035,15 1.184,16 1.181,17 1.449,18 4.121,19 4.654,20 0.593,21 4.575,22 1.588,23 4.503,24 21.084,25 0.602,26 0.602,27 3.975,28 25.751,29 -0.225,30 -0.225,31 -0.087,32 4.157,33 1.215,34 36.33,35 -0.11,36 4.5,37 4.654,38 57.939,39 3.658,41 17.64,42 -0.089,43 -0.089,44 4.099,45 4.036,46 173.694,47 2.435,48 3.628,49 1.458,50 1.797,51 3.34,52 0.892,53 3.445,54 4.031,55 4.141,56 366.49,57 4.833,58 0.092,59 3.511,60 3.081,61 51.687,62 0.456,63 3.507,64 5.004,65 34.542,66 2.087,67 20.816,68 4.862,69 3.28,70 9.675,71 1.406,72 1.406,73 4.858,74 2.933,75 0.092,76 5.062,77 2.283,78 231.694,79 268.913,80 14.687,81 55,82 0.198,83 4.783,84 12.533,85 20.637,86 20.637,87 20.637,88 20.637,89 20.637,90 2.764,91 7.879,92 22.652,93 1.402,94 296.423,95 52,97 284.423,98 8.49,99 1.571,100 0.123,101 32.213,102 157.256,103 19.658,104 1.627,105 4.981,106 1.287,107 0.21,108 280.423,109 9.455,110 1680.45,111 1.792,112 2.8,113 0.218,114 4.777,115 141.207,116 507.878,117 24527.4,118 1.799,119 13619,120 6.667,121 16.609,122 0.136,123 4.325,124 9.067,125 868,126 3.097,127 20.761,128 3.44,129 1.618,131 7.248,132 2.609,133 2.609,134 11.053,135 4.159,136 1.496,137 1.496,138 4.88,139 5.8}
{0 CHEMBL1986139,2 0.76,3 58.616,4 1.961,5 0.738,6 2.013,7 0.912,8 30.955,10 0.477,11 2.163,12 0.218,13 0.127,14 2.238,15 0.261,16 0.381,17 0.967,18 4.075,19 3.913,20 -1.107,21 3.892,22 -0.427,23 3.804,24 11.842,25 -1.258,26 -1.258,27 3.385,28 9.602,29 -4.756,30 -4.756,31 -1.385,32 3.458,33 -0.293,34 19.807,35 -2.226,36 4.043,37 3.989,38 27.605,39 3.099,41 9.823,42 -1.716,43 -1.716,44 4.055,45 3.369,46 82.835,47 1.612,48 3.047,49 0.89,50 1.206,51 2.695,52 -0.821,53 2.854,54 3.458,55 3.59,56 194.62,57 3.87,58 0.154,59 2.863,60 1.447,61 25.356,62 -1.611,63 2.855,64 3.898,65 18.659,66 1.387,67 12.263,68 4.043,69 2.651,70 5.1,71 -3.227,72 -3.227,73 3.676,74 1.373,75 0.167,76 4.06,77 0.933,78 97.732,79 105.342,80 8.343,81 27,82 0.356,83 3.948,84 7.097,85 11.776,86 11.776,87 11.776,88 11.776,89 11.776,90 1.372,91 4.048,92 13.118,93 0.628,94 116.096,95 25,97 108.096,98 6.878,99 0.907,100 0.216,101 8.865,102 69.256,103 10.781,104 1.179,105 4.108,106 0.735,107 0.276,108 108.096,109 4.885,110 390.441,111 1.181,112 2.195,114 3.706,115 65.487,116 279.53,117 3494.06,118 1.208,119 2390,120 3.75,121 5.312,122 0.243,123 3.013,124 4.543,125 248,126 2.404,127 11.665,128 2.909,129 0.881,131 3.119,132 2.031,133 2.031,134 6.211,135 3.463,136 0.808,137 0.808,138 4.064,139 5.8}
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{0 CHEMBL1986263,1 0.722,2 1.23,4 2.603,5 1.237,6 2.624,7 1.274,8 66.112,9 0.792,10 0.996,11 2.766,12 0.574,13 0.796,14 2.84,15 1.021,16 1.07,17 1.265,18 4.013,19 4.516,20 -0.543,21 4.554,22 0.371,23 4.344,24 16.748,25 -0.578,26 -0.578,27 3.696,28 27.281,29 -1.634,30 -1.634,31 -0.651,32 3.955,33 0.681,34 28.909,35 -0.91,36 4.369,37 4.5,38 47.238,39 3.401,41 14.474,42 -0.699,43 -0.699,44 3.976,45 3.843,46 159.304,47 2.185,48 3.368,49 1.229,50 1.6,51 3.127,52 0.244,53 3.259,54 3.74,55 3.908,56 302.75,57 4.537,58 0.113,59 3.156,60 2.215,61 42.323,62 -0.357,63 3.188,64 4.811,65 27.39,66 1.792,67 16.999,68 4.507,69 3.068,70 7.51,71 -1.375,72 -1.375,73 4.777,74 2.5,75 0.123,76 4.704,77 2.05,78 198.603,79 210.213,80 11.618,81 44,82 0.26,83 4.466,84 9.519,85 16.326,86 16.326,87 16.326,88 16.326,89 16.326,90 2,91 6.019,92 17.107,93 1.176,94 226.477,95 42,96 1.747,97 210.213,98 7.863,99 1.311,100 0.159,101 19.292,102 114.147,103 16.806,104 1.571,105 4.648,106 1.113,107 0.242,108 210.213,109 7.172,110 951.346,111 1.652,112 2.65,113 0.167,114 4.594,115 110.039,116 430.28,117 11181.5,118 1.56,119 6155,120 5.444,121 17.695,122 0.174,123 3.575,124 8.6,125 511,126 2.858,127 17.104,128 3.228,129 1.507,130 1,131 6.196,132 2.588,133 2.588,134 8.825,135 3.845,136 1.203,137 1.203,138 4.558,139 5.8}
{0 CHEMBL1986499,1 0.821,2 1.107,3 114.66,4 2.715,5 1.117,6 2.735,7 1.418,8 142.99,9 0.886,10 0.886,11 2.854,12 0.485,13 2.111,14 2.925,15 1.107,16 1.181,17 1.375,18 4.18,19 4.576,20 0.646,21 5.46,22 1.641,23 4.433,24 20.198,25 0.662,26 0.662,27 3.94,28 20.135,29 0.16,30 0.16,31 0.059,32 4.092,33 1.332,34 32.54,35 0.076,36 5.069,37 5.371,38 51.821,39 3.563,40 1,41 16.811,42 0.062,43 0.062,44 4.139,45 3.969,46 159.29,47 2.479,48 3.561,49 1.293,50 1.695,51 3.138,52 1.027,53 3.373,54 3.955,55 4.121,56 313.25,57 4.723,58 0.096,59 3.54,60 3.228,61 46.425,62 0.361,63 3.505,64 4.871,65 31.673,66 2.164,67 20.264,68 4.809,69 3.069,70 9.045,71 1.571,72 1.571,73 4.885,74 2.61,75 0.099,76 4.945,77 2.292,78 193.555,79 228.574,80 14.187,81 50,82 0.21,83 4.656,84 11.758,85 20.016,86 20.016,87 20.016,88 20.016,89 20.016,90 2.922,91 7.353,92 22.77,93 1.472,94 254.084,95 46,97 234.084,98 8.452,99 1.362,100 0.128,101 26.904,102 144.717,103 17.595,104 1.545,105 4.843,106 1.181,107 0.21,108 234.084,109 8.885,110 1386.99,111 1.566,112 2.758,113 0.218,114 4.656,115 132.881,116 428.016,117 18409,118 1.747,119 10645,120 6.25,121 12.676,122 0.14,123 4.059,124 8.276,125 605,126 3.22,127 19.794,128 3.409,129 1.565,131 6.128,132 2.555,133 2.555,134 10.658,135 4.035,136 1.493,137 1.493,138 4.827,139 5.8}
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{0 CHEMBL1987034,1 0.821,2 1.146,4 2.715,5 1.149,6 2.735,7 1.267,9 0.886,10 0.91,11 2.854,12 0.519,13 1.322,14 2.925,15 1.107,16 1.102,17 1.256,18 4.064,19 4.491,21 4.736,22 0.917,23 4.38,24 19.501,27 3.821,28 22.287,29 -0.767,30 -0.767,31 -0.26,32 4.006,33 1.01,34 32.205,35 -0.443,36 4.5,37 4.673,38 49.456,39 3.514,41 16.419,42 -0.346,43 -0.346,44 4.071,45 3.916,46 169.686,47 2.381,48 3.497,49 1.208,50 1.67,51 3.169,52 0.531,53 3.467,54 3.848,55 4.088,56 351.3,57 4.58,58 0.097,59 3.461,60 2.718,61 45.316,62 0.152,63 3.533,64 4.769,65 31.119,66 2.031,67 19.843,68 4.772,69 3.098,70 8.185,73 5.075,74 2.212,75 0.107,76 4.762,77 2.286,78 199.46,79 223.46,80 13.847,81 46,82 0.23,83 4.591,84 11.438,85 19.151,86 19.151,87 19.151,88 19.151,89 19.151,90 2.468,91 6.522,92 20.167,93 1.324,94 240.215,95 44,97 226.215,98 8.391,99 1.474,100 0.137,101 32.031,102 150.008,103 21.031,104 1.281,105 4.743,106 1.181,107 0.223,108 226.215,109 7.859,110 1557.49,111 1.572,112 2.834,113 0.148,114 4.562,115 134.881,116 494.141,117 21951.4,118 1.64,119 11101,120 6.361,121 9.88,122 0.155,123 4.073,124 7.743,125 794,126 3.12,127 20.855,128 3.407,129 1.837,131 6.421,132 2.636,133 2.636,134 10.83,135 3.93,136 1.471,137 1.471,138 4.825,139 8.4}
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{0 CHEMBL1987910,1 0.821,2 1.251,3 133.971,4 2.717,5 1.248,6 2.735,7 1.393,8 71.312,9 0.886,10 0.915,11 2.87,12 0.324,13 1.338,14 2.941,15 1.107,16 1.181,17 1.343,18 4.119,19 4.55,20 0.107,21 4.927,22 1.055,23 4.435,24 20.163,25 0.114,26 0.114,27 3.926,28 27.672,29 -0.389,30 -0.389,31 -0.158,32 4.047,33 1.251,34 32.267,35 -0.21,36 4.7,37 4.844,38 51.048,39 3.562,40 1,41 17.103,42 -0.162,43 -0.162,44 4.106,45 3.945,46 161.795,47 2.487,48 3.556,49 1.211,50 1.565,51 3.31,52 0.833,53 3.316,54 3.948,55 4.132,56 339.29,57 4.717,58 0.095,59 3.237,60 2.965,61 46.534,62 0.51,63 3.226,64 4.924,65 31.825,66 2.123,67 20.44,68 4.82,69 3.267,70 8.719,71 0.305,72 0.305,73 5.397,74 2.404,75 0.102,76 4.89,77 2.375,78 199.094,79 225.624,80 14.326,81 48,82 0.22,83 4.618,84 11.504,85 19.833,86 19.833,87 19.833,88 19.833,89 19.833,90 2.724,91 7.014,92 21.671,93 1.469,94 247.133,95 45,97 232.379,98 8.485,99 1.394,100 0.129,101 29.333,102 156.235,103 20.33,104 1.342,105 4.776,106 1.204,107 0.215,108 232.379,109 8.524,110 1638.9,111 1.459,112 2.774,113 0.15,114 4.725,115 138.452,116 451.224,117 23631.4,118 1.599,119 12814,120 6.389,121 11.868,122 0.141,123 4.123,124 7.962,125 788,126 3.25,127 21.303,128 3.44,129 1.544,131 7.027,132 2.696,133 2.696,134 11.579,135 4.04,136 1.513,137 1.513,138 4.884,139 5.8}
{0 CHEMBL1988075,1 0.839,2 1.362,3 147.558,4 2.776,5 1.312,6 2.805,7 1.44,8 78.333,9 0.895,10 1.159,11 2.945,12 0.666,13 2.5,14 3.04,15 1.214,16 1.183,17 1.465,18 4.146,19 4.7,20 0.956,21 5.481,22 1.959,23 4.568,24 23.584,25 1,26 1,27 4.096,28 34.295,29 2.081,30 2.081,31 0.647,32 4.216,33 2.246,34 39.159,35 1.136,36 5.088,37 5.375,38 60.282,39 3.755,40 1,41 19.533,42 0.798,43 0.798,44 4.134,45 4.108,46 200.684,47 2.799,48 3.727,49 1.417,50 1.841,51 3.32,52 1.631,53 3.433,54 4.144,55 4.267,56 393.47,57 4.859,58 0.084,59 3.7,60 3.414,61 54.494,62 0.848,63 3.712,64 5.067,65 37.607,66 2.31,67 23.5,68 5.023,69 3.278,70 10.467,71 2.275,72 2.275,73 6.396,74 3.005,75 0.087,76 5.042,77 2.697,78 251.28,79 284.499,80 16.474,81 58,82 0.185,83 4.8,84 13.453,85 23.032,86 23.032,87 23.032,88 23.032,89 23.032,90 3.414,91 8.408,92 25.66,93 1.703,94 310.764,95 54,97 296.009,98 8.843,99 1.676,100 0.113,101 43.052,102 184.61,103 22.146,104 1.529,105 4.966,106 1.303,107 0.197,108 294.009,109 10.129,110 2235.98,111 1.802,112 2.886,113 0.218,114 4.867,115 166.974,116 531.598,117 35071.2,118 1.847,119 18823,120 7.333,121 16.001,122 0.125,123 4.55,124 10.043,125 1087,126 3.365,127 23.656,128 3.56,129 2.266,131 7.868,132 2.729,133 2.729,134 12.53,135 4.258,136 1.892,137 1.892,138 5.054,139 5.8}
{0 CHEMBL1988153,1 0.788,2 1.092,3 105.504,4 2.686,5 1.062,6 2.678,7 1.135,8 120.41,9 0.843,10 0.862,11 2.854,12 0.227,13 0.921,14 2.925,15 1.034,16 0.951,17 1.107,18 4.099,19 4.372,20 -0.433,21 5.05,22 0.456,23 4.277,24 17.348,25 -0.473,26 -0.473,27 3.748,28 11.058,29 -1.773,30 -1.773,31 -0.7,32 3.834,33 0.5,34 26.193,35 -0.867,36 4.762,37 5.011,38 40.929,39 3.359,40 2,41 14.762,42 -0.736,43 -0.736,44 4.094,45 3.767,46 139.346,47 2.424,48 3.381,49 1.148,50 1.585,51 3.037,52 0.246,53 3.251,54 3.726,55 3.997,56 273.16,57 4.386,58 0.102,59 3.168,60 2.625,61 37.993,62 0.283,63 3.185,64 4.346,65 26.465,66 2.023,67 17.832,68 4.616,69 2.941,70 7.326,71 -1.162,72 -1.162,73 4.614,74 2.019,75 0.114,76 4.531,77 2,78 158.998,79 168.608,80 12.398,81 39,82 0.245,83 4.346,84 9.821,85 17.16,86 17.16,87 17.16,88 17.16,89 17.16,90 2.446,91 5.853,92 19.186,93 1.379,94 186.117,95 36,97 168.608,98 8.081,99 1.35,100 0.144,101 24.592,102 127.61,103 16.984,104 1.181,105 4.449,106 1.012,107 0.228,108 168.608,109 7.145,110 1163.98,111 1.458,112 2.687,114 4.194,115 113.457,116 374.938,117 14521.1,118 1.586,119 8305,120 5.417,121 7.68,122 0.159,123 3.804,124 7.112,125 611,126 3.108,127 18.311,128 3.304,129 1.502,131 5.77,132 2.785,133 2.785,134 9.958,135 3.718,136 1.482,137 1.482,138 4.67,139 5.8}
{0 CHEMBL1988163,1 0.742,2 1.107,3 101.651,4 2.687,5 1.062,6 2.693,7 1.28,8 57.628,9 0.802,10 0.886,11 2.823,12 0.521,13 1,14 2.889,15 1.019,16 1.057,17 1.271,18 4.18,19 4.453,20 -0.511,21 5.063,22 0.42,23 4.333,24 17.928,25 -0.537,26 -0.537,27 3.805,28 19.344,29 -1.794,30 -1.794,31 -0.676,32 3.953,33 0.872,34 29.392,35 -0.968,36 4.745,37 4.927,38 45.906,39 3.468,41 14.577,42 -0.721,43 -0.721,44 4.14,45 3.854,46 132.666,47 2.289,48 3.446,49 1.228,50 1.678,51 3.057,52 0.236,53 3.329,54 3.833,55 4.001,56 291.61,57 4.549,58 0.104,59 3.477,60 2.715,61 41.658,62 -0.453,63 3.549,64 4.684,65 28.358,66 1.983,67 17.851,68 4.629,69 2.986,70 7.829,71 -1.294,72 -1.294,73 4.791,74 2.168,75 0.114,76 4.747,77 2.11,78 169.685,79 198.905,80 12.504,81 44,82 0.245,83 4.548,84 10.199,85 17.419,86 17.419,87 17.419,88 17.419,89 17.419,90 2.367,91 6.277,92 19.474,93 1.271,94 219.66,95 41,97 207.66,98 8.094,99 1.482,100 0.146,101 21.846,102 127.073,103 16.578,104 1.284,105 4.721,106 1.181,107 0.227,108 207.66,109 7.557,110 1142.32,111 1.564,112 2.687,113 0.109,114 4.476,115 116.211,116 402.255,117 14205.7,118 1.641,119 8182,120 5.5,121 12.916,122 0.166,123 3.805,124 7.183,125 582,126 3.05,127 18.148,128 3.304,129 1.351,131 5.909,132 2.639,133 2.639,134 9.771,135 3.9,136 1.335,137 1.335,138 4.675,139 7}
{0 CHEMBL1988173,1 0.821,2 1.149,4 2.715,5 1.163,6 2.735,7 1.404,9 0.886,10 0.887,11 2.854,12 0.549,13 1.543,14 2.925,15 1.107,16 1.181,17 1.414,18 4.037,19 4.572,20 0.136,21 4.19,22 1.086,23 4.441,24 19.915,25 0.156,26 0.156,27 3.918,28 34.617,29 -1.242,30 -1.242,31 -0.369,32 4.091,33 0.805,34 35.284,35 -0.621,36 4.331,37 4.19,38 54.515,39 3.602,41 16.721,42 -0.514,43 -0.514,44 4.015,45 3.981,46 162.645,47 2.39,48 3.564,49 1.3,50 1.675,51 3.256,52 0.416,53 3.332,54 3.97,55 4.085,56 374.64,57 4.833,58 0.115,59 3.366,60 2.742,61 49.313,62 0.32,63 3.395,64 5.06,65 33.25,66 1.962,67 19.607,68 4.772,69 3.175,70 8.867,71 0.341,72 0.341,73 4.877,74 2.648,75 0.118,76 5.014,77 2.317,78 194.75,79 226.856,80 13.908,81 51,82 0.261,83 4.739,84 11.452,85 19.247,86 19.247,87 19.247,88 19.247,89 19.247,90 2.703,91 7.143,92 20.167,93 1.378,94 275.121,95 49,97 232.366,98 8.424,99 1.387,100 0.149,101 26.785,102 147.278,103 21.272,104 1.509,105 4.898,106 1.181,107 0.223,108 232.366,109 8.563,110 1464.38,111 1.536,112 2.888,113 0.218,114 4.868,115 120.881,116 547.113,117 19982.3,118 1.713,119 10289,120 6.444,121 14.639,122 0.155,123 3.939,124 8.76,125 689,126 3.084,127 20.855,128 3.408,129 1.668,131 6.765,132 2.36,133 2.36,134 10.739,135 4.129,136 1.404,137 1.404,138 4.831,139 5.8}
{0 CHEMBL1988300,1 0.876,2 1.196,3 215.386,4 2.769,5 1.161,6 2.776,7 1.334,8 111.275,9 0.928,10 0.946,11 2.911,12 0.584,13 1.847,14 2.981,15 1.146,16 1.151,17 1.329,18 4.171,19 4.507,20 0.328,21 5.263,22 1.295,23 4.381,24 19.757,25 0.347,26 0.347,27 3.953,28 25.005,29 -0.103,30 -0.103,31 -0.04,32 4.051,33 1.323,34 33.245,35 -0.056,36 4.927,37 5.165,38 49.903,39 3.612,40 2,41 16.159,42 -0.043,43 -0.043,44 4.143,45 3.936,46 157.749,47 2.495,48 3.572,49 1.28,50 1.713,51 3.256,52 0.899,53 3.311,54 4.015,55 4.088,56 314.69,57 4.643,58 0.099,59 3.433,60 3,61 44.887,62 0.053,63 3.447,64 4.77,65 31.455,66 2.087,67 19.684,68 4.757,69 3.177,70 8.843,71 0.86,72 0.86,73 5.731,74 2.481,75 0.103,76 4.84,77 2.383,78 207.133,79 233.133,80 13.687,81 49,82 0.218,83 4.591,84 11.254,85 19.309,86 19.309,87 19.309,88 19.309,89 19.309,90 2.72,91 7.102,92 22.076,93 1.474,94 247.133,95 45,97 235.133,98 8.3,99 1.502,100 0.133,101 26.944,102 140.678,103 17.11,104 1.411,105 4.764,106 1.181,107 0.213,108 235.133,109 8.569,110 1377.45,111 1.655,112 2.791,113 0.188,114 4.561,115 130.606,116 424.717,117 18035.9,118 1.735,119 10836,120 6,121 13.495,122 0.148,123 4.074,124 7.983,125 723,126 3.131,127 19.087,128 3.375,129 1.532,131 6.354,132 2.693,133 2.693,134 10.267,135 4.102,136 1.532,137 1.532,138 4.777,139 6.4}
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{0 CHEMBL1988387,1 1.021,2 1.414,3 164.949,4 2.926,5 1.476,6 2.913,7 1.541,8 183.778,9 1.058,10 1.21,11 3.131,12 0.667,13 2.5,14 3.224,15 1.334,16 1.213,17 1.515,18 4.156,19 4.789,20 0.999,21 5.455,22 2,23 4.655,24 24.564,25 1,26 1,27 4.108,28 36.424,29 2.059,30 2.059,31 0.686,32 4.272,33 2.261,34 39.557,35 1.155,36 5.153,37 5.394,38 63.33,39 3.737,40 1,41 20.87,42 0.806,43 0.806,44 4.139,45 4.166,46 226.192,47 2.891,48 3.737,49 1.4,50 1.776,51 3.377,52 1.673,53 3.461,54 4.128,55 4.319,56 404.67,57 4.901,58 0.08,59 3.66,60 3.414,61 57.436,62 0.856,63 3.655,64 5.147,65 38.726,66 2.324,67 24.982,68 5.099,69 3.331,70 10.622,71 2.275,72 2.275,73 6.445,74 2.974,75 0.083,76 5.074,77 2.722,78 272.457,79 290.457,80 17.368,81 60,82 0.175,83 4.798,84 14.119,85 24.187,86 24.187,87 24.187,88 24.187,89 24.187,90 3.414,91 8.556,92 26.759,93 1.818,94 325.212,95 56,97 298.457,98 8.996,99 1.458,100 0.107,101 48.108,102 200.722,103 24.162,104 1.531,105 4.954,106 1.29,107 0.193,108 296.457,109 10.34,110 2602.4,111 1.722,112 3.034,113 0.218,114 4.949,115 176.117,116 552.416,117 43709.8,118 1.8,119 22688,120 7.75,121 17.929,122 0.119,123 4.738,124 10.302,125 1274,126 3.4,127 25.233,128 3.615,129 2.295,131 8.22,132 2.739,133 2.739,134 13.326,135 4.249,136 1.973,137 1.973,138 5.136,139 7.4}
{0 CHEMBL1988437,1 0.898,2 1.196,3 111.673,4 2.775,5 1.196,6 2.789,7 1.345,8 63.273,9 0.95,10 0.986,11 2.919,12 0.679,13 1.491,14 2.964,15 1.089,16 1.109,17 1.347,18 4.149,19 4.525,20 0.248,21 5.043,22 1.222,23 4.385,24 19.632,25 0.264,26 0.264,27 3.895,28 21.084,32 4.041,33 1.36,34 33.455,36 4.663,37 4.92,38 51.029,39 3.596,40 1,41 16.609,44 4.114,45 3.933,46 162.004,47 2.422,48 3.55,49 1.297,50 1.705,51 3.244,52 0.925,53 3.449,54 3.968,55 4.076,56 335.74,57 4.574,58 0.097,59 3.366,60 2.904,61 45.996,62 0.554,63 3.386,64 4.712,65 31.675,66 1.949,67 19.808,68 4.76,69 3.18,70 8.792,71 0.431,72 0.431,73 5.317,74 2.606,75 0.1,76 4.747,77 2.324,78 207.355,79 242.574,80 13.742,81 49,82 0.211,83 4.58,84 11.647,85 19.438,86 19.438,87 19.438,88 19.438,89 19.438,90 2.467,91 7.093,92 21.266,93 1.397,94 254.084,95 46,97 249.329,98 8.285,99 1.46,100 0.131,101 31.077,102 142.529,103 18.33,104 1.646,105 4.752,106 1.196,107 0.217,108 249.329,109 8.494,110 1418.13,111 1.681,112 2.789,113 0.222,114 4.522,115 132.606,116 466.205,117 19263.3,118 1.735,119 10784,120 6.278,121 14.352,122 0.147,123 4.104,124 8.567,125 746,126 2.987,127 19.347,128 3.374,129 1.509,131 6.503,132 2.529,133 2.529,134 10.281,135 4.071,136 1.451,137 1.451,138 4.775,139 5.8}
{0 CHEMBL1988537,1 0.782,2 1.073,4 2.709,5 1.023,6 2.719,7 1.062,9 0.819,10 0.886,11 2.85,12 0.321,13 0.941,14 2.883,15 0.99,16 0.993,17 1.107,18 4.058,19 4.354,20 -0.31,21 5.118,22 0.515,23 4.249,24 17.404,25 -0.379,26 -0.379,27 3.803,28 18.134,29 -1.128,30 -1.128,31 -0.46,32 3.845,33 0.818,34 28.994,35 -0.708,36 4.963,37 5.187,38 41.771,39 3.465,41 14.917,42 -0.551,43 -0.551,44 4.038,45 3.771,46 131.447,47 2.272,48 3.428,49 1.181,50 1.545,51 2.951,52 0.4,53 3.151,54 3.858,55 3.967,56 302.02,57 4.489,58 0.112,59 3.167,60 2.536,61 38.56,62 0.021,63 3.132,64 4.636,65 27.648,66 1.86,67 17.797,68 4.579,69 2.922,70 7.583,71 -0.971,72 -0.971,73 5.53,74 2.125,75 0.119,76 4.615,77 2.198,78 162.666,79 184.666,80 12.186,81 41,82 0.252,83 4.452,84 10.009,85 17.215,86 17.215,87 17.215,88 17.215,89 17.215,90 2.342,91 6.028,92 18.898,93 1.24,94 199.421,95 38,96 1.669,97 186.666,98 8.021,99 1.217,100 0.153,101 18.326,102 117.148,103 16.308,104 1.247,105 4.567,106 1.111,107 0.23,108 186.666,109 7.286,110 965.499,111 1.573,112 2.688,113 0.107,114 4.491,115 112.096,116 410.484,117 11100.8,118 1.543,119 6394,120 5.528,121 9.796,122 0.165,123 3.573,124 7.376,125 485,126 2.993,127 17.389,128 3.269,129 1.787,130 1,131 5.375,132 2.647,133 2.647,134 9.211,135 4.02,136 1.331,137 1.331,138 4.613,139 5.8}
{0 CHEMBL1988594,1 0.821,2 1.167,3 133.859,4 2.715,5 1.156,6 2.735,7 1.289,8 71.618,9 0.886,10 0.886,11 2.854,12 0.358,13 1.492,14 2.925,15 1.107,16 1.179,17 1.285,18 4.088,19 4.501,20 0.184,21 4.727,22 1.157,23 4.376,24 19.796,25 0.192,26 0.192,27 3.867,28 22.802,29 -0.408,30 -0.408,31 -0.16,32 4.052,33 1.179,34 32.398,35 -0.205,36 4.554,37 4.635,38 50.405,39 3.54,41 16.8,42 -0.165,43 -0.165,44 4.069,45 3.939,46 155.431,47 2.397,48 3.527,49 1.181,50 1.622,51 3.183,52 0.814,53 3.37,54 3.904,55 4.105,56 331.93,57 4.626,58 0.097,59 3.261,60 2.929,61 45.76,62 0.508,63 3.216,64 4.762,65 31.379,66 2.122,67 20.185,68 4.8,69 3.129,70 8.578,71 0.483,72 0.483,73 4.963,74 2.372,75 0.101,76 4.816,77 2.366,78 184.83,79 206.869,80 14.097,81 48,82 0.215,83 4.594,84 11.767,85 19.723,86 19.723,87 19.723,88 19.723,89 19.723,90 2.65,91 6.943,92 21.671,93 1.383,94 247.133,95 45,97 227.133,98 8.373,99 1.467,100 0.131,101 31.275,102 150.827,103 19.148,104 1.384,105 4.766,106 1.181,107 0.215,108 221.133,109 8.352,110 1569.26,111 1.48,112 2.755,113 0.218,114 4.566,115 130.881,116 458.758,117 22455.1,118 1.654,119 12623,120 6.361,121 12.53,122 0.146,123 4.215,124 7.9,125 843,126 3.153,127 20.217,128 3.407,129 1.757,131 5.992,132 2.603,133 2.603,134 10.665,135 3.959,136 1.434,137 1.434,138 4.83,139 5.8}
{0 CHEMBL1988608,1 0.828,2 1.19,3 121.629,4 2.73,5 1.195,6 2.741,7 1.387,8 71.205,9 0.902,10 1.007,11 2.899,12 0.588,13 1.342,14 2.987,15 1.166,16 1.165,17 1.4,18 4.148,19 4.513,20 0.011,21 4.956,22 0.935,23 4.37,24 19.118,25 0.012,26 0.012,27 3.81,28 17.485,29 -0.391,30 -0.391,31 -0.148,32 4.049,33 1.177,34 30.96,35 -0.185,36 4.644,37 4.868,38 50.611,39 3.482,40 1,41 16.024,42 -0.152,43 -0.152,44 4.108,45 3.942,46 181.872,47 2.5,48 3.496,49 1.42,50 1.7,51 3.246,52 0.824,53 3.353,54 3.806,55 4.067,56 324.75,57 4.584,58 0.102,59 3.324,60 2.889,61 45.793,62 0.399,63 3.301,64 4.682,65 30.412,66 2.179,67 19.052,68 4.736,69 3.183,70 8.446,71 0.031,72 0.031,73 4.229,74 2.467,75 0.106,76 4.801,77 2.376,78 214.727,79 236.379,80 13.508,81 48,82 0.224,83 4.56,84 10.999,85 18.809,86 18.809,87 18.809,88 18.809,89 18.809,90 2.529,91 6.842,92 20.69,93 1.455,94 247.133,95 45,97 240.379,98 8.303,99 1.401,100 0.137,101 26.633,102 142.403,103 18.107,104 1.464,105 4.726,106 1.183,107 0.22,108 238.379,109 8.248,110 1405.35,111 1.705,112 2.733,113 0.226,114 4.491,115 134.606,116 458.39,117 19163.9,118 1.703,119 10690,120 6.056,121 12.698,122 0.151,123 4.093,124 8.333,125 717,126 3.231,127 19.673,128 3.374,129 1.826,131 5.57,132 2.721,133 2.721,134 10.305,135 3.863,136 1.534,137 1.534,138 4.78,139 5.8}
{0 CHEMBL1988717,1 1.019,2 1.326,3 166.349,4 2.806,5 1.408,6 2.817,7 1.598,8 197.356,9 1.073,10 1.09,11 3.039,12 0.681,13 2.5,14 3.137,15 1.302,16 1.205,17 1.535,18 4.204,19 4.807,20 1,21 5.442,22 2,23 4.658,24 24.183,25 1,26 1,27 4.08,28 27.712,29 1.956,30 1.956,31 0.748,32 4.281,33 2.248,34 37.642,35 1.137,36 5.147,37 5.338,38 63.121,39 3.663,41 20.511,42 0.799,43 0.799,44 4.153,45 4.158,46 214.691,47 2.903,48 3.699,49 1.39,50 1.794,51 3.381,52 1.738,53 3.475,54 4.05,55 4.316,56 388.14,57 4.944,58 0.079,59 3.632,60 3.487,61 56.865,62 0.852,63 3.599,64 5.15,65 37.723,66 2.435,67 24.385,68 5.084,69 3.327,70 10.427,71 2.275,72 2.275,73 5.481,74 2.936,75 0.083,76 5.146,77 2.59,78 262.955,79 289.71,80 17.186,81 59,82 0.178,83 4.823,84 13.611,85 23.797,86 23.797,87 23.797,88 23.797,89 23.797,90 3.414,91 8.481,92 26.353,93 1.866,94 317.975,95 55,97 298.465,98 8.996,99 1.546,100 0.106,101 47.469,102 200.645,103 23.704,104 1.634,105 4.994,106 1.265,107 0.195,108 296.465,109 10.263,110 2590.09,111 1.737,112 2.904,113 0.252,114 4.925,115 174.608,116 526.479,117 43513.1,118 1.814,119 22732,120 7.583,121 15.706,122 0.118,123 4.682,124 10.179,125 1224,126 3.521,127 25.449,128 3.615,129 2.142,131 7.1,132 2.924,133 2.924,134 13.717,135 4.162,136 1.922,137 1.922,138 5.141,139 7.1}
{0 CHEMBL1988838,1 0.821,2 1.253,4 2.715,5 1.278,6 2.735,7 1.411,9 0.886,10 0.973,11 2.869,12 0.533,13 1.299,14 2.957,15 1.138,16 1.181,17 1.43,18 4.07,19 4.642,20 0.034,21 4.771,22 0.968,23 4.507,24 20.217,25 0.037,26 0.037,27 3.869,28 24.794,29 -0.783,30 -0.783,31 -0.305,32 4.141,33 1,34 33.83,35 -0.397,36 4.522,37 4.71,38 56.654,39 3.553,41 16.704,42 -0.324,43 -0.324,44 4.072,45 4.031,46 194.544,47 2.488,48 3.545,49 1.276,50 1.704,51 3.274,52 0.626,53 3.559,54 3.884,55 4.118,56 360.75,57 4.761,58 0.094,59 3.465,60 2.835,61 51.182,62 0.172,63 3.535,64 4.899,65 32.862,66 2.218,67 19.921,68 4.812,69 3.189,70 8.701,71 0.1,72 0.1,73 4.8,74 2.501,75 0.104,76 4.978,77 2.357,78 234.683,79 258.683,80 14.203,81 52,82 0.222,83 4.719,84 11.418,85 19.436,86 19.436,87 19.436,88 19.436,89 19.436,90 2.717,91 6.981,92 20.572,93 1.474,94 282.193,95 50,97 261.438,98 8.487,99 1.481,100 0.132,101 34.933,102 157.309,103 21.677,104 1.431,105 4.879,106 1.191,107 0.22,108 261.438,109 8.36,110 1690.03,111 1.635,112 2.696,113 0.218,114 4.683,115 141.207,116 507.542,117 24653.4,118 1.733,119 12270,120 6.444,121 17.988,122 0.15,123 4.143,124 8.9,125 827,126 3.244,127 21.725,128 3.44,129 1.617,131 7.322,132 2.643,133 2.643,134 11.235,135 3.974,136 1.509,137 1.509,138 4.874,139 7.4}
{0 CHEMBL1989029,1 0.704,2 1.069,3 72.601,4 2.36,5 1.072,6 2.309,7 1.239,8 90.564,9 0.771,10 0.902,11 2.665,12 0.385,13 0.281,14 2.698,15 1.003,16 1.051,17 1.308,18 4.073,19 4.313,20 -1,21 4.29,23 4.16,24 13.9,25 -1,26 -1,27 3.549,28 13.687,29 -2.781,30 -2.781,31 -1.018,32 3.788,34 23.495,35 -1.432,36 4.304,37 4.277,38 39.405,39 3.203,41 11.754,42 -1.07,43 -1.07,44 4.043,45 3.678,46 132.364,47 2.055,48 3.201,49 1.267,50 1.569,51 3.006,52 -0.121,53 2.939,54 3.563,55 3.735,56 241.28,57 4.305,58 0.139,59 3.252,60 2,61 35.262,62 -1,63 3.243,64 4.395,65 22.655,66 1.501,67 13.75,68 4.248,69 2.874,70 6.349,71 -2.069,72 -2.069,73 2.954,74 2.093,75 0.142,76 4.523,77 1.582,78 152.015,79 160.015,80 9.648,81 37,82 0.299,83 4.327,84 7.919,85 13.43,86 13.43,87 13.43,88 13.43,89 13.43,90 1.688,91 5.147,92 14.622,93 1.051,94 179.525,95 35,97 162.015,98 7.354,99 1.208,100 0.187,101 12.51,102 87.547,103 12.943,104 1.394,105 4.506,106 1.07,107 0.262,108 162.015,109 6.15,110 589.628,111 1.417,112 2.499,113 0.095,114 4.202,115 84.439,116 348.026,117 5963.88,118 1.619,119 3598,120 4.361,121 12.395,122 0.205,123 3.228,124 6.85,125 338,126 2.534,127 14.113,128 3.059,129 1.226,131 4.959,132 2.225,133 2.225,134 7.344,135 3.584,136 1.076,137 1.076,138 4.296,139 5.8}
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{0 CHEMBL1989474,1 0.434,2 1.022,4 2.286,5 0.996,6 2.264,7 1.062,8 49.323,9 0.527,10 0.758,11 2.53,12 0.218,13 0.454,14 2.625,15 0.808,16 0.771,17 1.083,18 4.095,19 4.161,20 -1,21 3.932,22 -0.074,23 3.995,24 13.03,25 -1,26 -1,27 3.449,28 10.029,29 -3,30 -3,31 -1.031,32 3.651,33 0.204,34 21.006,35 -1.5,36 4.205,37 4.205,38 33.994,39 3.103,41 10.883,42 -1.138,43 -1.138,44 4.052,45 3.535,46 100.842,47 1.942,48 3.11,49 1.069,50 1.389,51 2.88,52 -0.219,53 2.854,54 3.444,55 3.69,56 209.93,57 4.12,58 0.148,59 2.897,60 1.62,61 30.454,62 -1,63 2.902,64 4.257,65 20.576,66 1.545,67 13.214,68 4.189,69 2.823,70 5.695,71 -2.946,72 -2.946,73 2.804,74 1.663,75 0.151,76 4.324,77 1.75,78 126.842,79 134.452,80 9.237,81 32,82 0.32,83 4.128,84 7.749,85 12.93,86 12.93,87 12.93,88 12.93,89 12.93,90 1.555,91 4.631,92 14.216,93 0.939,94 147.207,95 30,97 134.452,98 7.209,99 1.217,100 0.197,101 12.294,102 81.004,103 11.699,104 1.181,105 4.311,106 1.052,107 0.265,108 134.452,109 5.553,110 515.807,111 1.371,112 2.392,114 4.065,115 76.711,116 299.95,117 4967.04,118 1.402,119 3116,120 4.167,121 8.779,122 0.216,123 3.153,124 5.86,125 312,126 2.586,127 13.242,128 3.012,129 1,131 3.589,132 2.321,133 2.321,134 6.958,135 3.507,136 1,137 1,138 4.218,139 5.8}
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{0 CHEMBL1989646,1 0.7,2 1.107,3 89.691,4 2.618,5 1.115,6 2.602,7 1.29,8 110.563,9 0.789,10 0.886,11 2.854,12 0.376,13 0.695,14 2.925,15 1.086,16 1.06,17 1.305,18 4.174,19 4.435,20 -0.602,21 4.828,22 0.354,23 4.266,24 16.174,25 -0.62,26 -0.62,27 3.714,28 18.556,29 -2.347,30 -2.347,31 -0.82,32 3.934,33 0.648,34 26.841,35 -1.193,36 4.635,37 4.796,38 44.066,39 3.353,40 2,41 13.248,42 -0.828,43 -0.828,44 4.131,45 3.796,46 141.766,47 2.165,48 3.343,49 1.26,50 1.643,51 3.123,52 0.163,53 3.111,54 3.74,55 3.887,56 251.86,57 4.557,58 0.119,59 3.177,60 2.194,61 39.029,62 -0.803,63 3.158,64 4.686,65 25.762,66 1.783,67 15.99,68 4.469,69 3.02,70 7.31,71 -1.413,72 -1.413,73 4.023,74 2.206,75 0.122,76 4.8,77 2.085,78 166.621,79 186.621,80 11.22,81 42,82 0.256,83 4.443,84 9.238,85 15.792,86 15.792,87 15.792,88 15.792,89 15.792,90 2,91 5.931,92 17.8,93 1.161,94 206.131,95 39,97 189.376,98 7.731,99 1.268,100 0.16,101 18.805,102 107.277,103 13.976,104 1.475,105 4.638,106 1.181,107 0.237,108 189.376,109 7.115,110 856.222,111 1.492,112 2.687,113 0.031,114 4.429,115 100.042,116 359.898,117 9617.2,118 1.697,119 6052,120 4.972,121 12.872,122 0.176,123 3.607,124 7.3,125 482,126 2.825,127 15.811,128 3.189,129 1.31,131 5.157,132 2.551,133 2.551,134 8.419,135 3.814,136 1.179,137 1.179,138 4.495,139 5.8}
{0 CHEMBL1989708,1 1.105,2 1.506,3 159.015,4 2.968,5 1.519,6 2.986,7 1.545,8 179.984,9 1.198,10 1.246,11 3.144,12 0.7,13 2.5,14 3.222,15 1.429,16 1.386,17 1.542,18 4.16,19 4.876,20 0.998,21 5.572,22 2,23 4.722,24 25.254,25 1,26 1,27 4.173,28 39.416,29 2.07,30 2.07,31 0.688,32 4.355,33 2.258,34 43.205,35 1.153,36 5.159,37 5.455,38 69.481,39 3.828,40 1,41 20.87,42 0.807,43 0.807,44 4.142,45 4.236,46 251.611,47 2.917,48 3.795,49 1.548,50 1.889,51 3.486,52 1.675,53 3.523,54 4.228,55 4.319,56 427.13,57 5.039,58 0.08,59 3.686,60 3.479,61 62.178,62 0.853,63 3.682,64 5.21,65 41.013,66 2.366,67 24.667,68 5.099,69 3.436,70 11.434,71 2.275,72 2.275,73 6.763,74 3.498,75 0.083,76 5.255,77 2.77,78 316.896,79 340.896,80 17.368,81 66,82 0.175,83 4.955,84 14.156,85 24.187,86 24.187,87 24.187,88 24.187,89 24.187,90 3.414,91 9.181,92 26.759,93 1.835,94 369.16,95 62,97 347.65,98 9.008,99 1.593,100 0.107,101 50.25,102 199.473,103 24.286,104 1.569,105 5.137,106 1.462,107 0.193,108 345.65,109 11.022,110 2566.87,111 1.867,112 3.008,113 0.466,114 5.007,115 180.117,116 612.164,117 42347.1,118 1.898,119 21836,120 7.75,121 22.439,122 0.119,123 4.702,124 11.55,125 1198,126 3.427,127 25.233,128 3.615,129 2.162,131 9.393,132 2.737,133 2.737,134 13.269,135 4.348,136 1.995,137 1.995,138 5.134,139 8.4}
{0 CHEMBL1989834,2 0.757,3 51.788,4 1.942,5 0.723,6 1.866,7 1.05,8 27.489,9 0.064,10 0.471,11 2.371,12 0.218,13 -0.29,14 2.433,15 0.63,16 0.581,17 1.079,18 4.152,19 3.942,20 -1.638,21 3.761,22 -0.751,23 3.822,24 11.148,25 -1.716,26 -1.716,27 3.367,28 10.169,29 -4.789,30 -4.789,31 -1.74,32 3.501,33 -0.36,34 18.512,35 -2.505,36 4.094,37 3.951,38 28.867,39 3.023,41 9.231,42 -1.773,43 -1.773,44 4.121,45 3.397,46 72.211,47 1.658,48 3.011,49 1.096,50 1.137,51 2.702,52 -0.796,53 2.854,54 3.4,55 3.533,56 175.99,57 3.99,58 0.176,59 2.897,60 1.38,61 26.065,62 -1.771,63 2.903,64 4.134,65 17.865,66 1.251,67 11.234,68 3.954,69 2.65,70 5.03,71 -4.749,72 -4.749,73 2.646,74 1.463,75 0.179,76 4.179,77 0.58,78 85.457,79 105.457,80 7.86,81 28,82 0.382,83 4.031,84 6.658,85 11.121,86 11.121,87 11.121,88 11.121,89 11.121,90 1.024,91 4.103,92 12.425,93 0.663,94 122.211,95 26,97 114.211,98 6.722,99 0.928,100 0.234,101 7.375,102 62.453,103 9.278,104 1.138,105 4.205,106 0.819,107 0.284,108 114.211,109 4.935,110 319.853,111 1.181,112 2.175,114 3.942,115 60,116 257.076,117 2709.12,118 1.146,119 1899,120 3.528,121 7.022,122 0.259,123 2.863,124 4.567,125 204,126 2.255,127 10.958,128 2.856,129 0.74,131 3.461,132 1.918,133 1.918,134 5.862,135 3.453,136 0.68,137 0.68,138 3.977,139 4.8}
{0 CHEMBL1989856,1 0.399,2 0.961,3 100.624,4 2.263,5 0.959,6 2.238,7 1.134,8 24.239,9 0.429,10 0.714,11 2.428,12 0.201,13 0.203,14 2.485,15 0.8,16 0.676,17 1.124,18 4.253,19 4.052,20 -1.178,21 4.431,22 -0.279,23 3.931,24 12.776,25 -1.238,26 -1.238,27 3.479,28 13.234,29 -3.906,30 -3.906,31 -1.417,32 3.563,33 -0.207,34 20.21,35 -1.914,36 4.71,37 4.605,38 31.159,39 3.085,40 1,41 11.047,42 -1.47,43 -1.47,44 4.218,45 3.478,46 110.241,47 1.862,48 3.103,49 1.117,50 1.406,51 2.997,52 -0.49,53 3.039,54 3.47,55 3.686,56 207.8,57 4.286,58 0.155,59 3.104,60 2,61 28.611,62 -1.152,63 3.085,64 4.41,65 20.074,66 1.498,67 13.165,68 4.153,69 2.945,70 5.591,71 -3.543,72 -3.543,73 3.246,74 1.614,75 0.163,76 4.426,77 1.392,78 119.851,79 127.851,80 9.185,81 30,82 0.34,83 4.14,84 7.351,85 13,86 13,87 13,88 13,89 13,90 1.599,91 4.514,92 13.641,93 0.858,94 134.606,95 28,97 129.851,98 7.248,99 1.148,100 0.208,101 10.853,102 78.603,103 11.552,104 1.159,105 4.267,106 0.907,107 0.271,108 129.851,109 5.441,110 464.366,111 1.329,112 2.322,114 4.227,115 80.711,116 301.445,117 4392.33,118 1.439,119 2613,120 4.306,121 6.666,122 0.232,123 2.933,124 5.633,125 248,126 2.517,127 13.569,128 3.014,129 1.395,131 3.544,132 2.421,133 2.421,134 6.981,135 3.607,136 0.864,137 0.864,138 4.221,139 6.4}
{0 CHEMBL1990254,1 0.821,2 1.107,4 2.715,5 1.062,6 2.735,7 1.087,9 0.886,10 0.886,11 2.854,12 0.281,13 0.794,14 2.925,15 1.107,16 1.181,17 1.107,18 4.043,19 4.464,20 -0.598,21 4.263,22 0.42,23 4.307,24 16.836,25 -0.594,26 -0.594,27 3.746,28 23.446,29 -1.963,30 -1.963,31 -0.885,32 3.964,33 0.596,34 29.563,35 -1.224,36 4.205,37 4.234,38 48.026,39 3.446,41 14.399,42 -0.889,43 -0.889,44 4.015,45 3.839,46 130.905,47 2,48 3.412,49 1.181,50 1.72,51 2.961,52 0.11,53 3.215,54 3.81,55 3.913,56 300.17,57 4.622,58 0.113,59 3.335,60 2.276,61 42.702,62 -0.714,63 3.329,64 4.877,65 27.993,66 1.776,67 16.742,68 4.536,69 2.882,70 7.778,71 -1.368,72 -1.368,73 3.904,74 2.418,75 0.113,76 4.84,77 2,78 168.521,79 198.574,80 11.775,81 45,82 0.239,83 4.584,84 10.109,85 16.629,86 16.629,87 16.629,88 16.629,89 16.629,90 2,91 6.35,92 17.682,93 1,94 233.329,95 43,97 205.329,98 7.845,99 1.411,100 0.152,101 22.139,102 115.532,103 16.067,104 1.296,105 4.795,106 1.181,107 0.238,108 205.329,109 7.61,110 982.977,111 1.717,112 2.687,113 0.218,114 4.637,115 98.039,116 423.062,117 11830.3,118 1.71,119 6792,120 5.5,121 14.379,122 0.165,123 3.714,124 7.367,125 556,126 2.793,127 16.778,128 3.228,129 1.128,131 6.096,132 2.616,133 2.616,134 8.838,135 3.932,136 1,137 1,138 4.556,139 5.8}
{0 CHEMBL1990288,1 0.821,2 1.276,4 2.715,5 1.296,6 2.735,7 1.603,8 133.633,9 0.886,10 1.12,11 2.854,12 0.626,13 2.333,14 2.925,15 1.152,16 1.181,17 1.558,18 4.205,19 4.642,20 0.918,21 5.357,22 1.92,23 4.497,24 20.922,25 0.951,26 0.951,27 3.949,28 22.589,29 0.677,30 0.677,31 0.228,32 4.115,33 1.698,34 33.75,35 0.344,36 5.069,37 5.318,38 53.947,39 3.578,40 1,41 17.595,42 0.241,43 0.241,44 4.17,45 4.007,46 171.998,47 2.397,48 3.586,49 1.351,50 1.705,51 3.224,52 1.191,53 3.423,54 3.955,55 4.152,56 328.34,57 4.708,58 0.093,59 3.609,60 3.247,61 48.534,62 0.36,63 3.576,64 4.963,65 32.893,66 2.112,67 21.124,68 4.859,69 3.19,70 9.41,71 2.136,72 2.136,73 4.923,74 2.838,75 0.098,76 4.912,77 2.352,78 219.349,79 244.568,80 14.687,81 52,82 0.206,83 4.698,84 12.286,85 20.723,86 20.723,87 20.723,88 20.723,89 20.723,90 3.245,91 7.648,92 23.463,93 1.38,94 268.078,95 48,97 247.323,98 8.528,99 1.437,100 0.126,101 29.049,102 152.882,103 18.53,104 1.591,105 4.894,106 1.232,107 0.206,108 247.323,109 9.228,110 1567.74,111 1.716,112 2.688,113 0.247,114 4.753,115 139.207,116 457.292,117 21344.6,118 1.727,119 12148,120 6.5,121 14.408,122 0.139,123 4.176,124 9.026,125 764,126 3.199,127 20.501,128 3.441,129 1.491,131 6.493,132 2.647,133 2.647,134 11.04,135 4.038,136 1.425,137 1.425,138 4.876,139 5.8}
{0 CHEMBL1990346,1 0.275,2 0.901,3 57.587,4 2.094,5 0.88,6 2.056,7 0.996,8 30.515,9 0.453,10 0.464,11 2.383,12 0.218,13 -0.057,14 2.463,15 0.697,16 0.737,17 1.028,18 4.161,19 3.99,20 -1.162,21 3.97,22 -0.608,23 3.864,24 11.91,25 -1.33,26 -1.33,27 3.448,28 7.576,29 -4.751,30 -4.751,31 -1.658,32 3.547,33 -0.291,34 20.415,35 -2.346,36 4.19,37 4.094,38 29.997,39 3.108,41 9.654,42 -1.716,43 -1.716,44 4.126,45 3.43,46 82.324,47 1.693,48 3.072,49 1.021,50 1.21,51 2.892,52 -0.741,53 2.854,54 3.51,55 3.586,56 197.48,57 4.062,58 0.167,59 2.941,60 1.556,61 27.069,62 -1.682,63 2.984,64 4.195,65 19.197,66 1.373,67 11.828,68 4.023,69 2.777,70 5.249,71 -3.213,72 -3.213,73 3.292,74 1.476,75 0.17,76 4.254,77 0.756,78 99.976,79 115.627,80 8.254,81 29,82 0.362,83 4.07,84 6.745,85 11.569,86 11.569,87 11.569,88 11.569,89 11.569,90 1.379,91 4.212,92 12.83,93 0.691,94 128.382,95 27,97 118.382,98 6.886,99 0.942,100 0.222,101 8.74,102 68.555,103 10.66,104 1.153,105 4.241,106 0.899,107 0.279,108 118.382,109 5.087,110 383.668,111 1.181,112 2.249,114 3.984,115 65.487,116 277.38,117 3360.41,118 1.221,119 2246,120 3.694,121 4.164,122 0.245,123 2.931,124 4.76,125 242,126 2.452,127 11.828,128 2.91,129 0.774,131 3.503,132 2.226,133 2.226,134 6.212,135 3.596,136 0.718,137 0.718,138 4.062,139 5.8}
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{0 CHEMBL1996390,1 0.293,2 0.9,3 62.347,4 1.905,5 0.854,6 2.01,7 1.05,8 32.413,9 0.339,10 0.658,11 2.133,12 0.218,13 0.47,14 2.182,15 0.616,16 0.519,17 1.075,18 4.11,19 3.939,20 -1,21 4.143,22 -0.066,23 3.858,24 12.407,25 -1,26 -1,27 3.483,28 10.327,29 -3.986,30 -3.986,31 -1.205,32 3.495,33 0.075,34 20.608,35 -1.735,36 4.317,37 4.234,38 29.498,39 3.164,40 2,41 10.314,42 -1.256,43 -1.256,44 4.102,45 3.431,46 84.872,47 1.943,48 3.119,49 0.996,50 1.127,51 2.925,52 -0.313,53 2.953,54 3.559,55 3.64,56 206.95,57 4.021,58 0.155,59 2.885,60 1.555,61 27.367,62 -1.15,63 2.902,64 4.115,65 19.745,66 1.41,67 12.504,68 4.109,69 2.854,70 5.443,71 -2.874,72 -2.874,73 3.8,74 1.503,75 0.159,76 4.17,77 1.369,78 104.117,79 117.627,80 8.754,81 29,82 0.336,83 4.039,84 7.31,85 12.276,86 12.276,87 12.276,88 12.276,89 12.276,90 1.37,91 4.348,92 13.523,93 0.914,94 128.382,95 27,97 120.382,98 7.052,99 0.936,100 0.208,101 10.519,102 74.66,103 11.209,104 1.139,105 4.162,106 0.908,107 0.272,108 120.382,109 5.255,110 447.05,111 1.181,112 2.224,114 3.94,115 71.059,116 296.971,117 4097.2,118 1.148,119 2623,120 3.944,121 5.927,122 0.231,123 3.035,124 4.9,125 271,126 2.443,127 12.535,128 2.962,129 1,131 3.674,132 2.318,133 2.318,134 6.612,135 3.593,136 1,137 1,138 4.141,139 5.8}
{0 CHEMBL1996500,1 0.804,2 1.308,3 117.648,4 2.735,5 1.303,6 2.733,7 1.366,8 59.977,9 0.934,10 1.054,11 2.904,12 0.605,13 1.361,14 3.009,15 1.302,16 1.263,17 1.39,18 4.206,19 4.72,20 0.045,21 5.434,22 0.972,23 4.546,24 20.518,25 0.05,26 0.05,27 3.93,28 21.578,29 -0.707,30 -0.707,31 -0.275,32 4.156,33 1.059,34 33.455,35 -0.386,36 5.136,37 5.407,38 57.2,39 3.54,40 1,41 16.973,42 -0.298,43 -0.298,44 4.161,45 4.036,46 198.488,47 2.615,48 3.555,49 1.417,50 1.835,51 3.234,52 0.634,53 3.324,54 3.914,55 4.131,56 339.35,57 4.883,58 0.097,59 3.524,60 2.87,61 51.032,62 0.235,63 3.523,64 4.922,65 32.824,66 2.194,67 20.164,68 4.809,69 3.158,70 9.144,71 0.124,72 0.124,73 4.482,74 2.846,75 0.102,76 5.135,77 2.375,78 245.928,79 257.928,80 14.226,81 53,82 0.215,83 4.794,84 11.229,85 19.602,86 19.602,87 19.602,88 19.602,89 19.602,90 2.529,91 7.36,92 21.383,93 1.544,94 282.193,95 50,97 257.928,98 8.55,99 1.607,100 0.131,101 27.951,102 151.054,103 20.18,104 1.548,105 4.975,106 1.409,107 0.216,108 257.928,109 8.853,110 1504.18,111 1.802,112 2.864,113 0.349,114 4.729,115 145.207,116 500.62,117 20170.6,118 1.836,119 10340,120 6.319,121 17.013,122 0.145,123 3.917,124 10.069,125 643,126 3.299,127 21.466,128 3.441,129 1.892,131 6.799,132 2.86,133 2.86,134 11.149,135 4.039,136 1.695,137 1.695,138 4.874,139 5.8}
{0 CHEMBL1996587,1 0.836,2 1.315,3 104.558,4 2.66,5 1.338,6 2.645,7 1.386,8 186.255,9 0.934,10 0.992,11 2.903,12 0.822,13 1.456,14 3.009,15 1.308,16 1.289,17 1.354,18 4.216,19 4.773,20 0.316,21 5.762,22 1.251,23 4.604,24 20.921,25 0.361,26 0.361,27 4.003,28 23.62,29 0.444,30 0.444,31 0.202,32 4.174,33 1.37,34 33.455,35 0.255,36 5.303,37 5.652,38 57.2,39 3.57,40 1,41 17.718,42 0.215,43 0.215,44 4.163,45 4.055,46 193.671,47 2.574,48 3.582,49 1.417,50 1.774,51 3.184,52 1.153,53 3.341,54 3.997,55 4.144,56 329.63,57 4.966,58 0.099,59 3.525,60 3.255,61 51.032,62 0.396,63 3.531,64 5.003,65 32.824,66 2.248,67 20.57,68 4.818,69 3.12,70 9.602,71 0.679,72 0.679,73 5.521,74 3.086,75 0.102,76 5.207,77 2.395,78 243.073,79 256.683,80 14.386,81 54,82 0.218,83 4.857,84 11.234,85 20.135,86 20.135,87 20.135,88 20.135,89 20.135,90 3.017,91 7.714,92 22.482,93 1.536,94 282.193,95 50,97 256.683,98 8.552,99 1.499,100 0.13,101 24.729,102 150.141,103 19.139,104 1.591,105 5.056,106 1.34,107 0.211,108 256.683,109 9.371,110 1480.87,111 1.822,112 2.755,113 0.427,114 4.799,115 145.207,116 474.368,117 19490.8,118 1.748,119 10709,120 6.347,121 17.848,122 0.14,123 3.933,124 9.852,125 660,126 3.312,127 21.043,128 3.442,129 1.689,131 7.399,132 2.848,133 2.848,134 11.191,135 4.105,136 1.62,137 1.62,138 4.88,139 5.8}
{0 CHEMBL1996780,1 0.875,2 1.198,4 2.828,5 1.229,6 2.799,7 1.427,9 0.889,10 0.991,11 3.009,12 0.639,13 1.855,14 3.012,15 1.107,16 1.169,17 1.468,18 4.101,19 4.64,20 0.311,21 5.489,22 1.327,23 4.506,24 20.738,25 0.311,26 0.311,27 3.964,28 25.591,29 -0.475,30 -0.475,31 -0.193,32 4.109,33 1.18,34 34.682,35 -0.249,36 5.165,37 5.468,38 55.571,39 3.606,41 17.739,42 -0.199,43 -0.199,44 4.08,45 4.018,46 185.384,47 2.559,48 3.599,49 1.536,50 1.768,51 3.263,52 0.79,53 3.412,54 3.98,55 4.135,56 367.1,57 4.834,58 0.099,59 3.453,60 2.883,61 50.465,62 0.291,63 3.435,64 5.034,65 33.643,66 2.157,67 20.657,68 4.828,69 3.189,70 9.445,71 0.733,72 0.733,73 4.954,74 3.044,75 0.1,76 4.987,77 2.323,78 236.683,79 260.683,80 14.49,81 53,82 0.211,83 4.738,84 11.93,85 20.284,86 20.284,87 20.284,88 20.284,89 20.284,90 2.727,91 7.626,92 21.789,93 1.52,94 282.193,95 50,96 1.794,97 262.683,98 8.56,99 1.503,100 0.13,101 28.569,102 150.308,103 19.869,104 1.57,105 4.888,106 1.181,107 0.214,108 262.683,109 9.177,110 1480.38,111 1.801,112 2.932,113 0.218,114 4.865,115 143.207,116 506.495,117 19714.2,118 1.76,119 10203,120 6.639,121 16.172,122 0.14,123 3.923,124 9.767,125 628,126 3.219,127 21.25,128 3.442,129 1.82,130 1,131 7.305,132 2.84,133 2.84,134 11.121,135 4.139,136 1.605,137 1.605,138 4.873,139 5.8}
{0 CHEMBL1996791,1 0.081,2 0.999,3 62.064,4 1.933,5 1.002,6 1.92,7 1.154,8 32.362,9 0.182,10 0.712,11 2.287,12 0.178,13 -0.074,14 2.378,15 0.713,16 0.785,17 1.16,18 4.159,19 4.339,20 -1.185,21 4.094,22 -0.417,23 4.16,24 12.838,25 -1.324,26 -1.324,27 3.518,28 41.961,29 -3.471,30 -3.471,31 -1.235,32 3.737,33 -0.257,34 22.949,35 -1.802,36 4.344,37 4.331,38 36.498,39 3.166,41 10.846,42 -1.407,43 -1.407,44 4.107,45 3.604,46 114.781,47 1.933,48 3.11,49 0.991,50 1.429,51 3.083,52 -0.521,53 3.074,54 3.601,55 3.636,56 218.49,57 4.476,58 0.153,59 2.942,60 1.601,61 32.323,62 -1.245,63 3.035,64 4.532,65 20.773,66 1.459,67 12.549,68 4.09,69 2.972,70 5.958,71 -3.258,72 -3.258,73 4.243,74 1.98,75 0.165,76 4.737,77 0.776,78 130,79 138,80 8.665,81 34,82 0.348,83 4.463,84 6.96,85 12.069,86 12.069,87 12.069,88 12.069,89 12.069,90 1.525,91 4.759,92 13.235,93 0.796,94 160,95 32,97 138,98 7.049,99 1.064,100 0.211,101 10.63,102 74.418,103 12.412,104 1.191,105 4.697,106 0.945,107 0.275,108 138,109 5.823,110 445.592,111 1.466,112 2.147,114 4.267,115 71.059,116 340.459,117 4038.97,118 1.376,119 2577,120 3.889,121 9.104,122 0.236,123 2.982,124 5.476,125 276,126 2.698,127 12.698,128 2.963,129 1,131 5.202,132 2.289,133 2.289,134 6.654,135 3.755,136 1,137 1,138 4.142,139 5.8}
{0 CHEMBL1996817,1 0.611,2 1.107,3 73.196,4 2.506,5 1.062,6 2.497,7 1.133,8 37.852,9 0.672,10 0.886,11 2.684,12 0.593,13 0.5,14 2.752,15 0.969,16 1.039,17 1.134,18 4.161,19 4.397,20 -0.955,21 4.331,23 4.221,24 14.301,25 -1,26 -1,27 3.567,28 16.986,29 -2.517,30 -2.517,31 -1,32 3.83,33 0.5,34 24.801,35 -1.5,36 4.394,37 4.394,38 41.611,39 3.258,41 12.275,42 -1,43 -1,44 4.125,45 3.708,46 126.959,47 1.959,48 3.234,49 1.181,50 1.617,51 2.955,52 -0.046,53 3.155,54 3.619,55 3.744,56 238.89,57 4.361,58 0.143,59 3.123,60 1.881,61 36.818,62 -1,63 3.096,64 4.547,65 23.467,66 1.556,67 14.43,68 4.283,69 2.887,70 6.818,71 -2.347,72 -2.347,73 3.257,74 2.449,75 0.147,76 4.573,77 1.817,78 159.63,79 171.24,80 9.898,81 39,82 0.314,83 4.4,84 8.815,85 14.113,86 14.113,87 14.113,88 14.113,89 14.113,90 1.606,91 5.594,92 15.197,93 0.957,94 192.75,95 37,97 173.995,98 7.352,99 1.361,100 0.191,101 14.52,102 87.493,103 12.98,104 1.525,105 4.624,106 1.117,107 0.257,108 173.995,109 6.66,110 596.009,111 1.577,112 2.538,113 0.119,114 4.332,115 82.439,116 348.702,117 5984.34,118 1.626,119 3591,120 4.611,121 14.307,122 0.212,123 3.288,124 6.9,125 357,126 2.577,127 13.786,128 3.059,129 1,131 5.54,132 2.13,133 2.13,134 7.358,135 3.669,136 1,137 1,138 4.286,139 6}
{0 CHEMBL1996831,1 0.673,2 1.072,3 56.05,4 2.635,5 1.053,6 2.641,7 1.329,8 71.707,9 0.714,10 0.824,11 2.818,12 0.67,13 0.546,14 2.886,15 0.92,16 0.945,17 1.289,18 4.161,19 4.462,20 -0.927,21 4.997,22 0.06,23 4.31,24 15.288,25 -0.95,26 -0.95,27 3.763,28 22.352,29 -2.389,30 -2.389,31 -0.991,32 3.846,33 0.4,34 26.006,35 -1.396,36 4.92,37 5.056,38 42.239,39 3.382,41 12.805,42 -1,43 -1,44 4.139,45 3.745,46 130.402,47 2.103,48 3.345,49 1.214,50 1.684,51 2.979,52 -0.022,53 3.057,54 3.83,55 3.803,56 258.82,57 4.535,58 0.138,59 3.187,60 2.047,61 37.825,62 -0.891,63 3.166,64 4.811,65 24.665,66 1.564,67 14.537,68 4.334,69 2.885,70 7.572,71 -2,72 -2,73 4.752,74 2.629,75 0.139,76 4.726,77 1.868,78 153.421,79 173.421,80 10.254,81 41,82 0.293,83 4.575,84 8.474,85 14.483,86 14.483,87 14.483,88 14.483,89 14.483,90 2,91 6.085,92 16.414,93 1.1,94 199.421,95 38,97 175.421,98 7.521,99 1.507,100 0.181,101 13.669,102 91.373,103 12.731,104 1.473,105 4.788,106 1.062,107 0.247,108 175.421,109 7.424,110 617.892,111 1.721,112 2.583,113 0.094,114 4.627,115 88.239,116 347.19,117 6242.53,118 1.67,119 4000,120 4.528,121 14.581,122 0.197,123 3.27,124 6.9,125 329,126 2.579,127 14.397,128 3.106,129 1.231,131 6.779,132 2.444,133 2.444,134 7.834,135 3.926,136 1.116,137 1.116,138 4.365,139 5.8}
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{0 CHEMBL1999112,1 1.067,2 1.377,3 115.897,4 2.587,5 1.415,6 2.562,7 1.533,8 210.107,9 1.061,10 1.2,11 2.809,12 0.593,13 2.08,14 2.865,15 1.269,16 1.137,17 1.481,18 4.061,19 4.521,20 0.618,21 5.357,22 1.618,23 4.423,24 19.657,25 0.618,26 0.618,27 3.89,28 22.693,29 0.027,30 0.027,31 0.012,32 4.003,33 1.507,34 31.506,35 0.019,36 5.226,37 5.347,38 48.953,39 3.511,40 2,41 17.595,42 0.014,43 0.014,44 4.05,45 3.932,46 189.054,47 2.333,48 3.518,49 1.375,50 1.603,51 3.31,52 0.95,53 3.456,54 3.898,55 4.098,56 349.74,57 4.674,58 0.104,59 3.362,60 3,61 45.32,62 0.618,63 3.375,64 4.859,65 30.986,66 2.302,67 20.298,68 4.777,69 3.275,70 8.594,71 1.23,72 1.23,73 5.516,74 2.61,75 0.108,76 4.768,77 2.13,78 217.46,79 227.46,80 14.062,81 47,82 0.227,83 4.595,84 11.656,85 19.845,86 19.845,87 19.845,88 19.845,89 19.845,90 2.858,91 6.891,92 21.096,93 1.309,94 240.215,95 44,96 1.17,97 231.46,98 8.473,99 1.412,100 0.138,101 25.12,102 142.316,103 19.496,104 1.558,105 4.721,106 1.255,107 0.218,108 231.46,109 8.374,110 1327.14,111 1.629,112 2.847,113 0.117,114 4.77,115 140.881,116 467.674,117 17013.6,118 1.587,119 8927,120 6.528,121 12.965,122 0.148,123 3.789,124 8.4,125 544,126 3.325,127 20.543,128 3.41,129 2.461,130 1,131 6.794,132 2.604,133 2.604,134 10.781,135 4.002,136 1.357,137 1.357,138 4.825,139 5.8}
{0 CHEMBL1999556,1 0.331,2 0.932,3 62.347,4 2.016,5 0.884,6 2.074,7 1.054,8 32.413,9 0.41,10 0.718,11 2.339,12 0.218,13 0.47,14 2.428,15 0.695,16 0.629,17 1.09,18 4.113,19 3.993,20 -1.025,21 4.143,22 -0.064,23 3.888,24 12.498,25 -1,26 -1,27 3.495,28 11.431,29 -3.986,30 -3.986,31 -1.205,32 3.547,33 0.075,34 21.159,35 -1.735,36 4.317,37 4.234,38 30.787,39 3.184,40 2,41 10.314,42 -1.256,43 -1.256,44 4.103,45 3.456,46 89.096,47 1.958,48 3.13,49 1.132,50 1.244,51 2.925,52 -0.299,53 2.956,54 3.581,55 3.64,56 209.16,57 4.047,58 0.155,59 2.902,60 1.555,61 28.142,62 -1.184,63 2.922,64 4.179,65 20.052,66 1.417,67 12.477,68 4.109,69 2.854,70 5.514,71 -2.874,72 -2.874,73 3.858,74 1.536,75 0.159,76 4.209,77 1.37,78 108.341,79 121.851,80 8.754,81 30,82 0.336,83 4.071,84 7.31,85 12.276,86 12.276,87 12.276,88 12.276,89 12.276,90 1.37,91 4.406,92 13.523,93 0.932,94 134.606,95 28,97 124.606,98 7.052,99 0.951,100 0.208,101 10.519,102 74.66,103 11.209,104 1.181,105 4.205,106 0.926,107 0.272,108 124.606,109 5.314,110 447.05,111 1.193,112 2.239,114 3.986,115 71.059,116 290.979,117 4097.2,118 1.228,119 2623,120 3.944,121 7.295,122 0.231,123 3.035,124 5.033,125 271,126 2.447,127 12.535,128 2.962,129 1,131 3.919,132 2.318,133 2.318,134 6.601,135 3.62,136 1,137 1,138 4.141,139 5.8}
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{0 CHEMBL1999718,1 0.637,2 1.057,4 2.559,5 1.065,6 2.546,7 1.246,9 0.72,10 0.832,11 2.76,12 0.238,13 1,14 2.847,15 0.991,16 0.953,17 1.198,18 4.114,19 4.341,20 -0.431,21 4.5,22 0.525,23 4.22,24 16.872,25 -0.446,26 -0.446,27 3.674,28 13.547,29 -1.902,30 -1.902,31 -0.692,32 3.834,33 0.76,34 25.341,35 -1,36 4.543,37 4.595,38 41.381,39 3.279,41 14.891,42 -0.717,43 -0.717,44 4.086,45 3.734,46 133.853,47 2.34,48 3.332,49 1.118,50 1.506,51 3.178,52 0.269,53 3.165,54 3.626,55 3.982,56 285.84,57 4.463,58 0.109,59 3.204,60 2.378,61 37.909,62 0.378,63 3.153,64 4.541,65 26.079,66 1.987,67 17.559,68 4.606,69 3.121,70 7.105,71 -1.174,72 -1.174,73 3.452,74 1.932,75 0.119,76 4.654,77 1.959,78 159.853,79 179.362,80 12.364,81 38,82 0.254,83 4.399,84 9.888,85 17.082,86 17.082,87 17.082,88 17.082,89 17.082,90 2.268,91 5.796,92 18.087,93 1.295,94 186.117,95 36,97 181.362,98 8.075,99 1.224,100 0.151,101 24.923,102 128.482,103 17.509,104 1.203,105 4.558,106 0.979,107 0.235,108 181.362,109 7.04,110 1185.71,111 1.38,112 2.622,114 4.345,115 117.457,116 384.608,117 15011,118 1.559,119 8004,120 5.639,121 6.669,122 0.164,123 3.752,124 6.612,125 637,126 3.054,127 18.734,128 3.304,129 1.801,131 4.666,132 2.689,133 2.689,134 9.994,135 3.72,136 1.385,137 1.385,138 4.669,139 5.8}
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{0 CHEMBL1999811,1 0.573,2 1.081,3 99.4,4 2.407,5 1.078,6 2.363,7 1.136,8 52.43,9 0.623,10 0.883,11 2.681,12 0.155,13 0.795,14 2.72,15 0.955,16 0.815,17 1.131,18 4.071,19 4.184,20 -0.479,21 3.951,22 0.397,23 4.074,24 15.302,25 -0.518,26 -0.518,27 3.568,28 15.641,29 -2.26,30 -2.26,31 -0.908,32 3.782,33 0.56,34 24.324,35 -1.253,36 4.025,37 3.932,38 38.285,39 3.221,41 13.176,42 -0.905,43 -0.905,44 4.043,45 3.69,46 125.812,47 2.068,48 3.246,49 1.075,50 1.347,51 2.976,52 0.108,53 3.173,54 3.567,55 3.868,56 257.1,57 4.301,58 0.118,59 3.112,60 2.248,61 35.218,62 -0.558,63 3.16,64 4.326,65 24.019,66 1.868,67 15.742,68 4.458,69 2.944,70 6.408,71 -1.243,72 -1.243,73 3.461,74 1.717,75 0.122,76 4.49,77 2,78 151.464,79 170.974,80 11.131,81 36,82 0.261,83 4.291,84 9.238,85 15.499,86 15.499,87 15.499,88 15.499,89 15.499,90 1.951,91 5.205,92 16.701,93 1.06,94 172.974,95 34,97 172.974,98 7.711,99 1.099,100 0.161,101 17.705,102 109.912,103 15.491,104 1.14,105 4.442,106 1.009,107 0.245,108 172.974,109 6.261,110 895.024,111 1.266,112 2.576,114 4.129,115 104.042,116 386.661,117 10710.9,118 1.366,119 6312,120 5.083,121 5.987,122 0.181,123 3.64,124 5.917,125 523,126 2.898,127 16.234,128 3.187,129 1.422,131 4.113,132 2.399,133 2.399,134 8.415,135 3.589,136 1.097,137 1.097,138 4.502,139 5.8}
{0 CHEMBL1999918,1 0.33,2 0.878,3 76,4 2.021,5 0.851,6 2.074,7 1.018,8 39.711,9 0.394,10 0.699,11 2.341,12 0.014,13 0.48,14 2.429,15 0.658,16 0.598,17 1.039,18 4.116,19 4.012,20 -0.914,21 4.575,22 -0.064,23 3.938,24 14.011,25 -1,26 -1,27 3.599,28 11.102,29 -2.875,30 -2.875,31 -1.02,32 3.562,33 0.126,34 22.387,35 -1.5,36 4.554,37 4.595,38 31.308,39 3.234,40 2,41 11.656,42 -1.153,43 -1.153,44 4.108,45 3.495,46 108.241,47 1.958,48 3.205,49 0.962,50 1.241,51 2.981,52 -0.275,53 2.976,54 3.647,55 3.776,56 240.58,57 4.128,58 0.137,59 2.938,60 2,61 29.396,62 -1,63 2.974,64 4.222,65 21.844,66 1.483,67 14.199,68 4.289,69 2.93,70 5.828,71 -2.851,72 -2.851,73 4.711,74 1.497,75 0.141,76 4.243,77 1.451,78 123.851,79 132.606,80 9.986,81 30,82 0.298,83 4.157,84 7.769,85 13.776,86 13.776,87 13.776,88 13.776,89 13.776,90 1.731,91 4.586,92 14.74,93 0.933,94 134.606,95 28,97 132.606,98 7.507,99 0.952,100 0.183,101 13.116,102 92.437,103 14.394,104 1.057,105 4.239,106 0.779,107 0.26,108 132.606,109 5.618,110 643.137,111 1.189,112 2.537,114 4.063,115 92.239,116 324.409,117 6553.18,118 1.226,119 3752,120 4.528,121 4.293,122 0.203,123 3.162,124 5.212,125 344,126 2.652,127 15.146,128 3.105,129 1.365,131 3.6,132 2.574,133 2.574,134 7.819,135 3.704,136 1,137 1,138 4.365,139 5.8}
{0 CHEMBL1999931,1 0.821,2 1.279,3 124.296,4 2.723,5 1.32,6 2.735,7 1.455,8 149.537,9 0.886,10 1.066,11 2.862,12 0.551,13 2.206,14 2.925,15 1.107,16 1.181,17 1.41,18 4.173,19 4.61,20 0.709,21 5.283,22 1.706,23 4.468,24 20.995,25 0.724,26 0.724,27 3.957,28 20.754,29 1.486,30 1.486,31 0.592,32 4.122,33 2.087,34 34.057,35 0.881,36 4.898,37 5.165,38 53.69,39 3.599,41 17.623,42 0.599,43 0.599,44 4.131,45 4.003,46 160.67,47 2.483,48 3.593,49 1.337,50 1.695,51 3.261,52 1.591,53 3.417,54 3.981,55 4.154,56 330.63,57 4.723,58 0.09,59 3.605,60 3.247,61 48.24,62 0.674,63 3.567,64 4.826,65 33.004,66 2.103,67 21.073,68 4.87,69 3.216,70 9.437,71 1.733,72 1.733,73 4.85,74 2.751,75 0.092,76 4.947,77 2.298,78 195.708,79 233.814,80 14.759,81 52,82 0.193,83 4.685,84 12.514,85 20.878,86 20.878,87 20.878,88 20.878,89 20.878,90 3.223,91 7.697,92 23.75,93 1.476,94 268.078,95 48,97 250.078,98 8.493,99 1.408,100 0.121,101 34.329,102 155.863,103 18.286,104 1.543,105 4.876,106 1.215,107 0.205,108 248.078,109 9.264,110 1658.06,111 1.618,112 2.757,113 0.218,114 4.608,115 139.207,116 458.207,117 23500.7,118 1.745,119 13622,120 6.528,121 13.586,122 0.135,123 4.348,124 8.633,125 866,126 3.14,127 20.338,128 3.44,129 1.563,131 6.176,132 2.748,133 2.748,134 11.024,135 4.037,136 1.496,137 1.496,138 4.875,139 5.8}
{0 CHEMBL2000071,1 0.598,2 1.107,3 73.196,4 2.435,5 1.062,6 2.43,7 1.132,8 37.852,9 0.66,10 0.886,11 2.643,12 0.476,13 0.5,14 2.719,15 0.907,16 0.942,17 1.133,18 4.17,19 4.357,20 -0.955,21 4.331,23 4.183,24 14.1,25 -1,26 -1,27 3.552,28 16.803,29 -2.517,30 -2.517,31 -1,32 3.825,33 0.5,34 24.046,35 -1.5,36 4.394,37 4.394,38 40.694,39 3.221,41 12.275,42 -1,43 -1,44 4.129,45 3.696,46 133.346,47 1.959,48 3.21,49 1.181,50 1.614,51 2.925,52 -0.046,53 3.089,54 3.597,55 3.744,56 232.59,57 4.358,58 0.144,59 3.117,60 1.881,61 36.036,62 -1,63 3.091,64 4.581,65 22.961,66 1.53,67 14.399,68 4.283,69 2.854,70 6.529,71 -2.347,72 -2.347,73 3.182,74 2.111,75 0.147,76 4.583,77 1.816,78 161.753,79 169.362,80 9.898,81 38,82 0.314,83 4.391,84 8.815,85 14.113,86 14.113,87 14.113,88 14.113,89 14.113,90 1.606,91 5.34,92 15.197,93 0.957,94 186.117,95 36,97 172.117,98 7.352,99 1.36,100 0.192,101 14.52,102 87.493,103 12.943,104 1.333,105 4.622,106 1.116,107 0.257,108 172.117,109 6.428,110 596.009,111 1.573,112 2.49,114 4.351,115 82.439,116 346.75,117 5984.34,118 1.622,119 3591,120 4.611,121 13.117,122 0.212,123 3.288,124 6.183,125 357,126 2.563,127 13.786,128 3.059,129 1,131 4.978,132 2.13,133 2.13,134 7.338,135 3.664,136 1,137 1,138 4.286,139 5.8}
{0 CHEMBL2000104,1 0.814,2 1.107,3 92.528,4 2.715,5 1.062,6 2.735,7 1.217,8 48.28,9 0.852,10 0.886,11 2.854,12 0.424,13 0.733,14 2.885,15 1.023,16 1.008,17 1.234,18 4.135,19 4.33,20 -0.914,21 4.762,22 0.05,23 4.227,24 15.89,25 -1,26 -1,27 3.752,28 17.414,29 -2.874,30 -2.874,31 -1,32 3.798,33 0.5,34 27.239,35 -1.5,36 4.635,37 4.691,38 40.956,39 3.449,40 2,41 12.921,42 -1,43 -1,44 4.139,45 3.725,46 141.879,47 2,48 3.367,49 1.181,50 1.68,51 3.124,53 3.148,54 3.847,55 3.862,56 279.85,57 4.476,58 0.124,59 3.283,60 2.226,61 37.64,62 -0.515,63 3.272,64 4.595,65 25.722,66 1.745,67 15.747,68 4.418,69 3.052,70 7.076,71 -2,72 -2,73 6.428,74 2.161,75 0.135,76 4.612,77 1.958,78 164.385,79 173.995,80 10.92,81 39,82 0.291,83 4.447,84 8.481,85 15.118,86 15.118,87 15.118,88 15.118,89 15.118,90 2,91 5.508,92 16.008,93 1,94 192.75,95 37,97 173.995,98 7.738,99 1.528,100 0.17,101 18.522,102 106.784,103 15.942,104 1.191,105 4.568,106 1.121,107 0.25,108 173.995,109 6.665,110 846.865,111 1.538,112 2.687,114 4.399,115 96.042,116 390.222,117 9432.2,118 1.694,119 5190,120 4.986,121 13.77,122 0.194,123 3.387,124 6.95,125 452,126 2.798,127 16.613,128 3.189,129 1.324,131 6.786,132 2.699,133 2.699,134 8.662,135 3.927,136 1,137 1,138 4.493,139 5.8}
{0 CHEMBL2000114,1 0.015,2 0.869,3 58.363,4 1.953,5 0.865,6 1.962,7 1.052,8 30.439,9 0.148,10 0.487,11 2.297,12 0.469,13 -0.413,14 2.381,15 0.593,16 0.645,17 1.059,18 4.133,19 4.197,20 -1.626,21 3.178,22 -0.86,23 4.007,24 11.236,25 -1.795,26 -1.795,27 3.288,28 15.532,29 -4.948,30 -4.948,31 -1.715,32 3.644,33 -0.5,34 19.932,35 -2.525,36 3.784,37 3.434,38 34.199,39 3.025,41 10.057,42 -1.841,43 -1.841,44 4.089,45 3.513,46 112.677,47 1.114,48 2.977,49 1.037,50 1.459,51 2.798,52 -0.971,53 3.058,54 3.377,55 3.508,56 195.78,57 4.112,58 0.178,59 2.949,60 0.772,61 30.229,62 -1.676,63 2.976,64 4.354,65 18.622,66 1.108,67 11.773,68 3.94,69 2.722,70 5.089,71 -4.591,72 -4.591,73 3.043,74 1.646,75 0.187,76 4.331,77 0.697,78 136.452,79 136.452,80 7.864,81 31,82 0.4,83 4.127,84 6.934,85 11.207,86 11.207,87 11.207,88 11.207,89 11.207,90 0.481,91 4.046,92 11.326,93 0.239,94 147.207,95 30,97 136.452,98 6.692,99 1.063,100 0.243,101 9.625,102 64.005,103 11.547,104 1.325,105 4.353,106 0.865,107 0.297,108 136.452,109 4.848,110 349.72,111 1.48,112 2.118,114 4.103,115 64,116 310.416,117 2998.2,118 1.404,119 1790,120 3.833,121 14.972,122 0.272,123 2.846,124 5.433,125 235,126 2.138,127 11.38,128 2.853,129 0.872,131 4.768,132 1.988,133 1.988,134 5.866,135 3.399,136 0.298,137 0.298,138 3.963,139 5.8}
{0 CHEMBL2000271,1 0.853,2 1.291,3 118.745,4 2.743,5 1.281,6 2.735,7 1.406,8 69.454,9 0.938,10 1.049,11 2.981,12 0.734,13 1.4,14 3.061,15 1.243,16 1.228,17 1.415,18 4.16,19 4.717,20 0.282,21 4.796,22 1.245,23 4.548,24 20.045,25 0.3,26 0.3,27 3.943,28 27.578,29 -0.691,30 -0.691,31 -0.286,32 4.168,33 1.028,34 35.091,35 -0.356,36 4.615,37 4.754,38 58.355,39 3.615,40 1,41 16.792,42 -0.301,43 -0.301,44 4.124,45 4.041,46 187.866,47 2.417,48 3.581,49 1.413,50 1.804,51 3.223,52 0.656,53 3.407,54 4,55 4.075,56 339.81,57 4.893,58 0.099,59 3.489,60 2.739,61 51.571,62 -0.036,63 3.496,64 5.046,65 33.068,66 2.118,67 19.652,68 4.76,69 3.118,70 9.401,71 0.503,72 0.503,73 4.977,74 3.039,75 0.1,76 5.143,77 2.195,78 246.384,79 272.913,80 13.725,81 55,82 0.21,83 4.789,84 11.59,85 19.386,86 19.386,87 19.386,88 19.386,89 19.386,90 2.623,91 7.627,92 21.266,93 1.413,94 296.423,95 52,97 275.668,98 8.296,99 1.565,100 0.132,101 27.367,102 142.641,103 18.516,104 1.701,105 4.994,106 1.303,107 0.217,108 275.668,109 9.142,110 1410.7,111 1.81,112 2.837,113 0.248,114 4.8,115 130.606,116 484.915,117 19287.7,118 1.792,119 10976,120 6.25,121 19.548,122 0.147,123 4.121,124 9.4,125 731,126 3.145,127 19.347,128 3.374,129 1.506,131 7.88,132 2.658,133 2.658,134 10.308,135 4.119,136 1.421,137 1.421,138 4.781,139 5.8}
{0 CHEMBL2000335,1 0.821,2 1.33,3 125.105,4 2.759,5 1.313,6 2.76,7 1.407,8 66.604,9 0.886,10 1.072,11 2.993,12 0.616,13 1.307,14 3.1,15 1.216,16 1.181,17 1.448,18 4.112,19 4.577,20 -0.011,21 4.86,22 0.958,23 4.425,24 19.56,25 -0.012,26 -0.012,27 3.906,28 31.339,29 -0.734,30 -0.734,31 -0.286,32 4.078,33 1.042,34 33.461,35 -0.392,36 4.654,37 4.796,38 52.527,39 3.585,41 15.963,42 -0.313,43 -0.313,44 4.094,45 3.959,46 177.375,47 2.442,48 3.546,49 1.389,50 1.607,51 3.245,52 0.642,53 3.275,54 3.967,55 4.07,56 332.08,57 4.736,58 0.101,59 3.248,60 2.574,61 47.098,62 0.172,63 3.21,64 4.987,65 31.697,66 2.138,67 19.238,68 4.736,69 3.152,70 8.732,71 -0.029,72 -0.029,73 5.504,74 2.601,75 0.104,76 4.94,77 2.414,78 207.15,79 226.801,80 13.508,81 50,82 0.222,83 4.612,84 10.924,85 18.809,86 18.809,87 18.809,88 18.809,89 18.809,90 2.378,91 6.995,92 20.69,93 1.414,94 261.066,95 47,97 241.556,98 8.274,99 1.379,100 0.135,101 27.929,102 143.114,103 18.541,104 1.559,105 4.775,106 1.251,107 0.22,108 233.556,109 8.356,110 1427.04,111 1.568,112 2.898,113 0.218,114 4.739,115 130.606,116 463.48,117 19567.8,118 1.633,119 11064,120 6.056,121 16.702,122 0.151,123 4.048,124 9.067,125 768,126 3.18,127 19.673,128 3.374,129 1.634,131 6.982,132 2.676,133 2.676,134 10.288,135 4.076,136 1.494,137 1.494,138 4.781,139 5.8}
{0 CHEMBL2000345,1 0.724,2 1.077,3 100.417,4 2.653,5 1.104,6 2.72,7 1.296,8 51.342,9 0.802,10 0.865,11 2.78,12 0.562,13 0.812,14 2.873,15 1.061,16 1.046,17 1.278,18 4.16,19 4.337,20 -0.408,21 4.522,22 0.33,23 4.207,24 16.425,25 -0.506,26 -0.506,27 3.715,28 23.043,29 -1.656,30 -1.656,31 -0.647,32 3.842,33 0.653,34 27.847,35 -0.857,36 4.466,37 4.5,38 42.247,39 3.374,40 1,41 13.839,42 -0.699,43 -0.699,44 4.121,45 3.752,46 154.792,47 2.218,48 3.359,49 1.226,50 1.527,51 3.04,52 0.231,53 3.234,54 3.745,55 3.905,56 293.64,57 4.482,58 0.114,59 3.18,60 2.342,61 38.491,62 -0.185,63 3.17,64 4.565,65 26.68,66 2.015,67 16.52,68 4.493,69 2.967,70 7.118,71 -1.239,72 -1.239,73 4.299,74 2.076,75 0.119,76 4.669,77 1.718,78 178.302,79 189.911,80 11.512,81 40,82 0.246,83 4.384,84 9.192,85 16.066,86 16.066,87 16.066,88 16.066,89 16.066,90 2.15,91 5.7,92 16.819,93 1.195,94 199.421,95 38,97 189.911,98 7.877,99 1.193,100 0.156,101 18.444,102 113.305,103 16.568,104 1.521,105 4.512,106 1.098,107 0.244,108 189.911,109 6.822,110 929.135,111 1.56,112 2.829,113 0.104,114 4.366,115 110.039,116 423.16,117 10807.1,118 1.508,119 5937,120 5.361,121 9.902,122 0.175,123 3.512,124 7.66,125 476,126 3.071,127 17.267,128 3.229,129 1.615,131 5.418,132 2.613,133 2.613,134 8.787,135 3.874,136 1.276,137 1.276,138 4.559,139 5.8}
{0 CHEMBL2000354,1 0.781,2 1.107,4 2.692,5 1.062,6 2.689,7 1.143,8 66.694,9 0.83,10 0.883,11 2.854,12 0.337,13 0.779,14 2.925,15 1.052,16 1.048,17 1.131,18 3.99,19 4.283,20 -0.625,21 4.382,22 0.345,23 4.172,24 15.762,25 -0.651,26 -0.651,27 3.649,28 19.633,29 -2.069,30 -2.069,31 -0.8,32 3.814,33 0.659,34 26.591,35 -1.182,36 4.248,37 4.382,38 41.036,39 3.353,41 13.576,42 -0.845,43 -0.845,44 3.971,45 3.732,46 133.466,47 2.198,48 3.326,49 1.181,50 1.52,51 2.975,52 0.114,53 3.085,54 3.692,55 3.869,56 286.9,57 4.295,58 0.113,59 3.06,60 2,61 37.564,62 -0.385,63 3.044,64 4.436,65 25.535,66 1.72,67 16.095,68 4.458,69 2.943,70 6.841,71 -1.605,72 -1.605,73 4.048,74 1.956,75 0.12,76 4.466,77 2,78 157.24,79 177.24,80 11.152,81 39,82 0.247,83 4.333,84 9.286,85 15.61,86 15.61,87 15.61,88 15.61,89 15.61,90 1.87,91 5.505,92 16.701,93 1.144,94 192.75,95 37,97 179.995,98 7.72,99 1.224,100 0.157,101 20.442,102 108.94,103 15.654,104 1.288,105 4.473,106 1.138,107 0.245,108 179.995,109 6.597,110 891.795,111 1.475,112 2.687,113 0.092,114 4.266,115 100.042,116 401.401,117 10336.9,118 1.52,119 5948,120 5.139,121 11.754,122 0.174,123 3.607,124 6.9,125 522,126 2.807,127 16.234,128 3.188,129 1.545,131 5.371,132 2.531,133 2.531,134 8.454,135 3.719,136 1.27,137 1.27,138 4.493,139 5.8}
{0 CHEMBL2000393,1 0.843,2 1.155,3 212.383,4 2.766,5 1.181,6 2.754,7 1.517,8 114.608,9 0.881,10 0.941,11 2.917,12 0.514,13 2.088,14 2.972,15 1.079,16 1.054,17 1.473,18 4.183,19 4.663,20 0.611,21 5.883,22 1.591,23 4.533,24 21.3,25 0.662,26 0.662,27 3.988,28 19.496,29 1.371,30 1.371,31 0.47,32 4.095,33 1.755,34 31.625,35 0.629,36 5.389,37 5.749,38 51.164,39 3.525,40 1,41 18.581,42 0.514,43 0.514,44 4.138,45 3.998,46 187.259,47 2.593,48 3.574,49 1.343,50 1.706,51 3.267,52 1.433,53 3.419,54 3.947,55 4.195,56 320.78,57 4.799,58 0.088,59 3.36,60 3.373,61 46.709,62 0.793,63 3.358,64 4.953,65 31.959,66 2.176,67 21.944,68 4.895,69 3.22,70 9.405,71 1.636,72 1.636,73 5.475,74 2.696,75 0.093,76 4.977,77 2.554,78 223.624,79 241.133,80 15.097,81 50,82 0.196,83 4.774,84 12.146,85 21.309,86 21.309,87 21.309,88 21.309,89 21.309,90 3.236,91 7.594,92 24.679,93 1.547,94 247.133,95 45,96 1.487,97 243.133,98 8.631,99 1.461,100 0.119,101 25.819,102 157.63,103 18.373,104 1.455,105 4.939,106 1.108,107 0.201,108 243.133,109 9.338,110 1631.12,111 1.724,112 2.833,113 0.085,114 4.778,115 153.58,116 416.349,117 21991.4,118 1.704,119 12942,120 6.528,121 11.106,122 0.129,123 4.135,124 8.369,125 726,126 3.265,127 21.112,128 3.473,129 2.202,130 1,131 6.151,132 2.986,133 2.986,134 11.556,135 4.051,136 1.653,137 1.653,138 4.929,139 6.1}
{0 CHEMBL2000481,1 0.968,2 1.379,4 2.92,5 1.405,6 2.906,7 1.542,9 0.996,10 1.148,11 3.048,12 0.564,13 2.469,14 3.07,15 1.162,16 1.183,17 1.525,18 4.093,19 4.726,20 0.921,21 5.063,22 1.926,23 4.599,24 22.621,25 0.922,26 0.922,27 4.041,28 30.035,29 0.357,30 0.357,31 0.203,32 4.209,33 1.487,34 37.585,35 0.234,36 4.852,37 5.03,38 60.571,39 3.701,41 19.367,42 0.222,43 0.222,44 4.094,45 4.106,46 189.115,47 2.545,48 3.678,49 1.313,50 1.838,51 3.453,52 1.179,53 3.464,54 4.08,55 4.225,56 401.31,57 4.913,58 0.088,59 3.552,60 3.414,61 54.963,62 0.736,63 3.603,64 5.028,65 36.368,66 2.274,67 22.438,68 4.964,69 3.398,70 10.074,71 2.275,72 2.275,73 6.414,74 2.975,75 0.094,76 5.09,77 2.404,78 235.38,79 278.399,80 15.886,81 57,82 0.203,83 4.869,84 13.079,85 22.17,86 22.17,87 22.17,88 22.17,89 22.17,90 2.89,91 8.109,92 23.75,93 1.534,94 310.764,95 54,97 294.764,98 8.761,99 1.582,100 0.119,101 36.408,102 177.649,103 22.679,104 1.433,105 5.041,106 1.247,107 0.205,108 292.764,109 9.78,110 2077.47,111 1.813,112 3.002,113 0.241,114 4.856,115 160.465,116 537.754,117 32064.8,118 1.824,119 16426,120 7.264,121 17.537,122 0.135,123 4.365,124 9.367,125 996,126 3.301,127 23.424,128 3.531,129 1.815,131 8.082,132 2.819,133 2.819,134 12.464,135 4.215,136 1.563,137 1.563,138 5.017,139 5.8}
{0 CHEMBL2000508,1 0.609,2 1.107,4 2.48,5 1.062,6 2.483,7 1.062,8 84.555,9 0.66,10 0.886,11 2.65,12 0.324,13 0.5,14 2.716,15 0.868,16 0.854,17 1.107,18 4.189,19 4.162,20 -0.946,21 4.727,23 4.048,24 14.673,25 -1,26 -1,27 3.619,28 10.086,29 -2.818,30 -2.818,31 -0.951,32 3.676,33 0.5,34 23.648,35 -1.5,36 4.754,37 4.852,38 34.415,39 3.288,40 1,41 12.209,42 -1,43 -1,44 4.156,45 3.588,46 98.851,47 2,48 3.257,49 1.181,50 1.464,51 2.925,52 -0.049,53 2.854,54 3.652,55 3.806,56 226.14,57 4.156,58 0.131,59 3.087,60 2.156,61 31.429,62 -1,63 3.109,64 4.342,65 22.742,66 1.548,67 15.138,68 4.35,69 2.854,70 6.443,71 -2.347,72 -2.347,73 4.09,74 1.776,75 0.138,76 4.329,77 1.984,78 128.07,79 137.58,80 10.326,81 34,82 0.292,83 4.201,84 8.709,85 14.637,86 14.637,87 14.637,88 14.637,89 14.637,90 2,91 5.155,92 16.701,93 1,94 153.58,95 31,97 137.58,98 7.513,99 1.362,100 0.178,101 13.986,102 92.245,103 12.515,104 1.181,105 4.366,106 1.158,107 0.245,108 137.58,109 6.252,110 635.374,111 1.249,112 2.623,114 4.178,115 84.239,116 311.461,117 6513.98,118 1.44,119 4212,120 4.556,121 8.162,122 0.197,123 3.363,124 5.743,125 361,126 2.619,127 14.234,128 3.105,129 1,131 4.04,132 2.481,133 2.481,134 7.72,135 3.685,136 1,137 1,138 4.362,139 5.8}
{0 CHEMBL2000568,1 0.42,2 0.929,3 64.397,4 2.173,5 0.908,6 2.19,7 1.003,8 37.755,9 0.502,10 0.673,11 2.333,12 0.335,13 0.408,14 2.427,15 0.781,16 0.84,17 1.041,18 4.154,19 4.122,20 -1.094,21 4.22,22 -0.032,23 3.977,24 12.599,25 -1,26 -1,27 3.486,28 12.802,29 -4.606,30 -4.606,31 -1.524,32 3.617,33 -0.104,34 21.273,35 -2.091,36 4.234,37 4.22,38 33.282,39 3.152,41 10.282,42 -1.598,43 -1.598,44 4.117,45 3.509,46 98.187,47 1.972,48 3.129,49 1.1,50 1.605,51 2.859,52 -0.63,53 2.865,54 3.525,55 3.639,56 207.95,57 4.14,58 0.15,59 3.138,60 1.524,61 29.949,62 -1.553,63 3.139,64 4.308,65 20.392,66 1.448,67 12.297,68 4.109,69 2.781,70 5.736,71 -2.582,72 -2.582,73 3.003,74 1.742,75 0.151,76 4.338,77 1.354,78 124.942,79 140.452,80 8.737,81 32,82 0.316,83 4.166,84 7.172,85 12.223,86 12.223,87 12.223,88 12.223,89 12.223,90 1.439,91 4.636,92 13.523,93 0.97,94 147.207,95 30,97 142.452,98 7.033,99 1.33,100 0.201,101 10.617,102 75.527,103 10.879,104 1.215,105 4.335,106 0.965,107 0.272,108 142.452,109 5.558,110 460.808,111 1.637,112 2.154,114 4.071,115 75.059,116 290.954,117 4276.05,118 1.584,119 2801,120 3.917,121 9.22,122 0.223,123 3.078,124 5.783,125 282,126 2.481,127 12.535,128 2.961,129 1,131 4.224,132 2.491,133 2.491,134 6.611,135 3.581,136 1,137 1,138 4.145,139 5.8}
{0 CHEMBL2000685,1 1.232,2 1.703,4 3.201,5 1.741,6 3.154,7 1.755,9 1.297,10 1.421,11 3.418,12 0.791,13 2.905,14 3.472,15 1.593,16 1.52,17 1.713,18 4.074,19 5.209,20 1.362,21 5.421,22 2.381,23 5.018,24 34.482,25 1.418,26 1.418,27 4.359,28 45.51,29 3.507,30 3.507,31 1.323,32 4.775,33 2.861,34 59.387,35 1.924,36 5.153,37 5.323,38 105.955,39 4.037,41 28.565,42 1.359,43 1.359,44 4.043,45 4.611,46 320.141,47 3.189,48 4.048,49 1.635,50 1.778,51 3.654,52 2.337,53 3.632,54 4.377,55 4.646,56 657.8,57 5.372,58 0.055,59 3.431,60 4.185,61 93.207,62 1.724,63 3.405,64 5.593,65 57.61,66 2.534,67 34.012,68 5.592,69 3.564,70 14.841,71 3.755,72 3.755,73 6.702,74 4.491,75 0.056,76 5.597,77 3.077,78 361.174,79 382.393,80 24.514,81 94,82 0.116,83 5.249,84 19.725,85 33.308,86 33.308,87 33.308,88 33.308,89 33.308,90 4.097,91 12.128,92 33.638,93 2.127,94 600.168,95 92,97 385.148,98 10.12,99 1.47,100 0.074,101 85.337,102 320.287,103 40.455,104 1.734,105 5.449,106 1.625,107 0.172,108 385.148,109 14.336,110 5748.97,111 1.734,112 3.364,113 0.361,114 5.39,115 202.423,116 924.48,117 127052,118 1.812,119 50224,120 11.5,121 29.896,122 0.081,123 5.575,124 16.933,125 1858,126 3.575,127 38.534,128 3.973,129 2.76,131 11.116,132 2.897,133 2.897,134 18.997,135 4.521,136 2.247,137 2.247,138 5.671,139 5.8}
{0 CHEMBL2000801,1 0.821,2 1.107,3 139.249,4 2.715,5 1.102,6 2.735,7 1.382,8 74.452,9 0.886,10 0.961,11 2.854,12 0.331,13 1.468,14 2.925,15 1.105,16 1.095,17 1.318,18 4.113,19 4.51,20 0.206,21 4.836,22 1.145,23 4.405,24 20.017,25 0.23,26 0.23,27 3.913,28 18.531,29 -0.128,30 -0.128,31 -0.05,32 3.996,33 1.319,34 31.199,35 -0.067,36 4.727,37 4.762,38 48.89,39 3.532,40 1,41 17.071,42 -0.053,43 -0.053,44 4.098,45 3.908,46 149.301,47 2.536,48 3.54,49 1.205,50 1.532,51 3.311,52 0.915,53 3.297,54 3.918,55 4.132,56 334.36,57 4.689,58 0.093,59 3.238,60 2.991,61 44.945,62 0.51,63 3.239,64 4.78,65 31.187,66 2.203,67 20.325,68 4.82,69 3.264,70 8.6,71 0.575,72 0.575,73 5.146,74 2.361,75 0.102,76 4.865,77 2.436,78 179.845,79 211.065,80 14.309,81 46,82 0.219,83 4.598,84 11.429,85 19.781,86 19.781,87 19.781,88 19.781,89 19.781,90 2.869,91 6.925,92 21.671,93 1.529,94 233.329,95 43,97 220.574,98 8.479,99 1.256,100 0.129,101 30.333,102 156.944,103 20.305,104 1.339,105 4.748,106 1.181,107 0.215,108 218.574,109 8.438,110 1656.9,111 1.388,112 2.808,113 0.218,114 4.59,115 138.452,116 439.872,117 24181.3,118 1.594,119 13186,120 6.361,121 8.056,122 0.139,123 4.16,124 7.771,125 799,126 3.304,127 21.303,128 3.44,129 1.552,131 6.556,132 2.702,133 2.702,134 11.84,135 3.996,136 1.549,137 1.549,138 4.884,139 5.8}
{0 CHEMBL2000832,1 1.017,2 1.397,4 2.938,5 1.42,6 2.929,7 1.516,9 1.066,10 1.162,11 3.097,12 0.669,13 2.587,14 3.158,15 1.272,16 1.248,17 1.531,18 4.1,19 4.785,20 1.074,21 5.749,22 2.079,23 4.662,24 24.735,25 1.067,26 1.067,27 4.142,28 32.704,29 1.171,30 1.171,31 0.482,32 4.28,33 1.771,34 40.387,35 0.615,36 5.187,37 5.561,38 64.824,39 3.763,41 21.229,42 0.53,43 0.53,44 4.075,45 4.183,46 206.432,47 2.931,48 3.768,49 1.548,50 1.87,51 3.346,52 1.476,53 3.446,54 4.15,55 4.322,56 424.83,57 5.047,58 0.077,59 3.688,60 3.484,61 58.963,62 1.05,63 3.684,64 5.228,65 39.575,66 2.478,67 24.731,68 5.099,69 3.308,70 11.012,71 2.604,72 2.604,73 5.919,74 3.204,75 0.079,76 5.23,77 2.484,78 266.902,79 323.008,80 17.406,81 62,82 0.164,83 4.952,84 14.055,85 24.35,86 24.35,87 24.35,88 24.35,89 24.35,90 3.123,91 8.92,92 26.759,93 1.859,94 339.763,95 58,97 333.008,98 9.015,99 1.745,100 0.103,101 49.198,102 198.083,103 23.704,104 1.569,105 5.1,106 1.322,107 0.193,108 333.008,109 10.779,110 2525.09,111 1.853,112 2.999,113 0.318,114 5.02,115 186.117,116 568.997,117 40774.5,118 1.881,119 21126,120 7.833,121 16.935,122 0.112,123 4.625,124 10.676,125 1137,126 3.529,127 25.233,128 3.616,129 2.451,131 8.431,132 2.833,133 2.833,134 13.352,135 4.324,136 1.984,137 1.984,138 5.134,139 5.8}
{0 CHEMBL2001224,1 0.804,2 1.167,4 2.635,5 1.198,6 2.671,7 1.372,8 72.532,9 0.832,10 0.937,11 2.869,12 0.61,13 1.023,14 2.979,15 1.025,16 1.035,17 1.385,18 4.01,19 4.579,20 -0.264,21 4.357,22 0.666,23 4.418,24 17.956,25 -0.283,26 -0.283,27 3.769,28 19.453,29 -0.948,30 -0.948,31 -0.307,32 4.004,33 0.832,34 30.125,35 -0.513,36 4.344,37 4.317,38 49.761,39 3.427,41 15.673,42 -0.398,43 -0.398,44 3.983,45 3.891,46 171.195,47 2.145,48 3.423,49 1.334,50 1.75,51 3.109,52 0.511,53 3.195,54 3.801,55 3.983,56 325.11,57 4.604,58 0.102,59 3.252,60 2.547,61 44.673,62 0.073,63 3.209,64 4.635,65 29.052,66 2.099,67 17.92,68 4.628,69 3.059,70 8.232,71 -0.744,72 -0.744,73 4.52,74 2.729,75 0.108,76 4.822,77 1.917,78 201.46,79 215.46,80 12.546,81 46,82 0.225,83 4.685,84 10.362,85 17.472,86 17.472,87 17.472,88 17.472,89 17.472,90 2.375,91 6.658,92 18.493,93 1.118,94 240.215,95 44,97 215.46,98 8.1,99 1.496,100 0.142,101 24.183,102 128.063,103 18.441,104 1.546,105 4.89,106 1.105,107 0.233,108 215.46,109 8.021,110 1162.84,111 1.789,112 2.697,113 0.094,114 4.465,115 118.211,116 460.942,117 14815.1,118 1.728,119 7993,120 5.806,121 15.331,122 0.156,123 3.825,124 8.243,125 607,126 3.178,127 18.518,128 3.304,129 1.974,131 6.457,132 2.555,133 2.555,134 9.569,135 3.877,136 1.194,137 1.194,138 4.67,139 5.8}
{0 CHEMBL2001239,1 0.726,2 1.157,4 2.655,5 1.178,6 2.621,7 1.298,9 0.838,10 0.886,11 2.854,12 0.224,13 1.194,14 2.925,15 1.107,16 1.102,17 1.273,18 4.059,19 4.55,20 -0.081,21 4.997,22 0.789,23 4.416,24 19.469,25 -0.104,26 -0.104,27 3.82,28 20.347,29 -0.745,30 -0.745,31 -0.267,32 4.043,33 1.015,34 30.182,35 -0.397,36 4.682,37 4.905,38 50.863,39 3.419,41 16.899,42 -0.317,43 -0.317,44 4.035,45 3.935,46 181.544,47 2.576,48 3.471,49 1.19,50 1.676,51 3.165,52 0.597,53 3.222,54 3.781,55 4.115,56 340.78,57 4.658,58 0.096,59 3.405,60 2.772,61 46.429,62 0.51,63 3.34,64 4.903,65 30.696,66 2.082,67 20.026,68 4.8,69 3.097,70 8.147,71 -0.252,72 -0.252,73 4.14,74 2.228,75 0.103,76 4.835,77 2.355,78 209.95,79 223.46,80 14.13,81 46,82 0.22,83 4.608,84 11.117,85 19.281,86 19.281,87 19.281,88 19.281,89 19.281,90 2.637,91 6.605,92 20.285,93 1.466,94 240.215,95 44,97 223.46,98 8.551,99 1.404,100 0.13,101 30.8,102 153.062,103 21.779,104 1.232,105 4.758,106 1.181,107 0.222,108 223.46,109 8.041,110 1524.79,111 1.559,112 2.786,114 4.701,115 138.452,116 476.731,117 21556.3,118 1.741,119 10558,120 6.417,121 9.675,122 0.141,123 3.969,124 7.705,125 602,126 3.162,127 21.889,128 3.441,129 1.926,131 5.976,132 2.694,133 2.694,134 11.991,135 3.911,136 1.662,137 1.662,138 4.875,139 5.8}
{0 CHEMBL2001257,1 1.206,2 1.523,3 161.439,4 3.081,5 1.505,6 3.1,7 1.584,8 85.095,9 1.247,10 1.302,11 3.246,12 0.869,13 2.273,14 3.31,15 1.439,16 1.417,17 1.597,18 4.13,19 4.914,20 0.675,21 5.273,22 1.666,23 4.732,24 24.819,25 0.827,26 0.827,27 4.131,28 40.363,29 0.791,30 0.791,31 0.6,32 4.362,33 1.618,34 44.267,35 0.618,36 4.92,37 5.17,38 71.603,39 3.839,40 1,41 20.74,42 0.618,43 0.618,44 4.119,45 4.234,46 250.177,47 2.776,48 3.785,49 1.569,50 1.895,51 3.407,52 1.591,53 3.46,54 4.213,55 4.283,56 447.9,57 5.027,58 0.084,59 3.562,60 3.39,61 63.516,62 0.744,63 3.564,64 5.281,65 41.33,66 2.252,67 24.352,68 5.06,69 3.361,70 11.573,71 2.054,72 2.054,73 6.788,74 3.979,75 0.086,76 5.245,77 2.658,78 310.98,79 332.98,80 16.978,81 67,82 0.183,83 4.934,84 14.048,85 23.825,86 23.825,87 23.825,88 23.825,89 23.825,90 2.96,91 9.314,92 25.255,93 1.741,94 384,95 64,96 2.269,97 339.735,98 8.926,99 1.61,100 0.112,101 51.086,102 193.362,103 24.877,104 1.725,105 5.134,106 1.553,107 0.199,108 337.735,109 11.093,110 2435.13,111 1.862,112 3.04,113 0.608,114 5.038,115 169.525,116 627.067,117 40165.4,118 1.891,119 19841,120 7.889,121 25.313,122 0.125,123 4.634,124 12.4,125 1137,126 3.358,127 24.786,128 3.588,129 2.136,130 1,131 9.897,132 2.676,133 2.676,134 12.895,135 4.349,136 1.827,137 1.827,138 5.093,139 6.1}
{0 CHEMBL2001288,1 0.143,2 0.972,3 71.135,4 2.137,5 0.998,6 2.09,7 1.126,8 84.2,9 0.2,10 0.619,11 2.385,12 0.122,13 -0.017,14 2.446,15 0.746,16 0.657,17 1.126,18 4.151,19 4.307,20 -0.969,21 4.357,22 -0.3,23 4.183,24 13.471,25 -1.149,26 -1.149,27 3.53,28 45.021,29 -3.44,30 -3.44,31 -1.234,32 3.759,33 -0.109,34 22.551,35 -1.478,36 4.585,37 4.585,38 36.711,39 3.107,41 12.062,42 -1.366,43 -1.366,44 4.104,45 3.658,46 126.226,47 1.857,48 3.118,49 0.988,50 1.381,51 2.845,52 -0.464,53 3.009,54 3.527,55 3.728,56 227.56,57 4.469,58 0.14,59 2.982,60 2,61 33.422,62 -1.114,63 3.046,64 4.56,65 21.39,66 1.459,67 13.901,68 4.214,69 2.796,70 5.708,71 -3.031,72 -3.031,73 3.989,74 1.591,75 0.152,76 4.654,77 1.387,78 144.49,79 154,80 9.541,81 34,82 0.319,83 4.455,84 7.413,85 13.284,86 13.284,87 13.284,88 13.284,89 13.284,90 1.665,91 4.533,92 14.046,93 0.765,94 160,95 32,97 156,98 7.373,99 1.072,100 0.194,101 12.12,102 85.768,103 14.208,104 1.139,105 4.608,106 0.877,107 0.267,108 156,109 5.63,110 558.062,111 1.255,112 2.438,114 4.354,115 86.439,116 379.603,117 5470.59,118 1.416,119 3186,120 4.389,121 5.999,122 0.215,123 3.05,124 5.21,125 303,126 2.737,127 14.439,128 3.06,129 1.267,131 4.703,132 2.396,133 2.396,134 7.454,135 3.659,136 0.963,137 0.963,138 4.296,139 5.8}
{0 CHEMBL2001485,1 1.216,2 1.535,3 176.669,4 3.065,5 1.533,6 3.082,7 1.632,8 201.311,9 1.245,10 1.318,11 3.256,12 0.798,13 2.5,14 3.319,15 1.409,16 1.417,17 1.611,18 4.164,19 4.991,20 1,21 5.677,22 2,23 4.818,24 27.303,25 1,26 1,27 4.243,28 46.189,29 2.275,30 2.275,31 0.979,32 4.444,33 2.42,34 46.972,35 1.383,36 5.231,37 5.545,38 76.394,39 3.896,40 1,41 22.549,42 1,43 1,44 4.144,45 4.319,46 272.822,47 3.096,48 3.863,49 1.571,50 1.916,51 3.5,52 1.991,53 3.619,54 4.294,55 4.392,56 470.09,57 5.188,58 0.075,59 3.708,60 3.585,61 68.163,62 1,63 3.702,64 5.383,65 44.561,66 2.511,67 26.466,68 5.202,69 3.449,70 12.288,71 2.275,72 2.275,73 7.509,74 3.807,75 0.077,76 5.393,77 2.831,78 340.928,79 358.928,80 18.706,81 72,82 0.163,83 5.027,84 14.897,85 25.947,86 25.947,87 25.947,88 25.947,89 25.947,90 3.414,91 9.852,92 28.263,93 2.047,94 413.947,95 68,96 1.553,97 366.928,98 9.239,99 1.647,100 0.1,101 59.813,102 221.751,103 26.851,104 1.719,105 5.199,106 1.533,107 0.188,108 364.928,109 11.76,110 3095.37,111 1.871,112 3.115,113 0.509,114 5.161,115 196.131,116 664.226,117 54424.2,118 1.923,119 26815,120 8.417,121 25.795,122 0.11,123 4.873,124 13.467,125 1405,126 3.545,127 27.681,128 3.693,129 2.294,130 1,131 9.965,132 2.806,133 2.806,134 14.391,135 4.439,136 2.133,137 2.133,138 5.249,139 7}
{0 CHEMBL2001539,2 0.122,3 54.048,4 1.293,5 0.033,6 1.33,7 0.511,8 30.667,11 1.612,12 0.129,13 -0.878,14 1.737,17 0.598,18 4.1,19 3.808,20 -2,21 3.135,22 -1.096,23 3.67,24 8.801,25 -2,26 -2,27 3.204,28 10.359,32 3.262,34 14.943,36 3.892,37 3.367,38 22.162,39 2.881,40 2,41 7.319,44 4.067,45 3.157,46 71.684,47 0.156,48 2.804,49 0.653,50 1.237,51 2.32,53 2.418,54 3.311,55 3.27,56 135.33,57 3.742,58 0.219,59 2.407,60 0.457,61 19.931,63 2.444,64 3.772,65 13.81,66 1.059,67 8.763,68 3.557,69 2.208,70 4.085,71 -7.212,72 -7.212,73 3.335,74 1.242,75 0.226,76 3.949,77 -0.012,78 78.439,79 82.439,80 5.949,81 22,82 0.479,83 3.794,84 4.985,85 8.5,86 8.5,87 8.5,88 8.5,89 8.5,91 3.21,92 9.94,93 -0.797,94 86.439,95 20,97 82.439,98 5.889,99 0.958,100 0.295,101 3.333,102 40.003,103 6.695,104 0.989,105 3.978,106 0.248,107 0.317,108 82.439,109 3.922,110 144.169,111 1.244,112 1.266,114 3.476,115 43.02,116 188.73,117 1001.08,118 1.215,119 878,120 2.583,121 7.886,122 0.322,123 2.509,124 3.617,125 114,126 2.09,127 7.966,128 2.606,129 -0.472,131 3.497,132 1.74,133 1.74,134 4.425,135 3.277,136 -0.82,137 -0.82,138 3.57,139 4.8}
{0 CHEMBL2001547,1 0.805,2 1.337,3 122.389,4 2.735,5 1.332,6 2.733,7 1.429,8 62.349,9 0.934,10 1.06,11 2.904,12 0.724,13 1.593,14 3.009,15 1.308,16 1.299,17 1.421,18 4.209,19 4.783,20 0.329,21 5.517,22 1.304,23 4.605,24 21.334,25 0.344,26 0.344,27 3.971,28 24.111,32 4.208,33 1.302,34 35.216,36 5.198,37 5.476,38 60.615,39 3.59,40 1,41 17.895,44 4.164,45 4.086,46 207.068,47 2.619,48 3.598,49 1.417,50 1.841,51 3.3,52 0.919,53 3.45,54 3.966,55 4.163,56 356.65,57 4.93,58 0.094,59 3.528,60 2.957,61 53.916,62 0.307,63 3.528,64 5.007,65 34.351,66 2.213,67 21.026,68 4.859,69 3.238,70 9.704,71 0.61,72 0.61,73 4.714,74 3.221,75 0.099,76 5.179,77 2.378,78 257.05,79 277.315,80 14.764,81 56,82 0.208,83 4.86,84 11.75,85 20.472,86 20.472,87 20.472,88 20.472,89 20.472,90 2.676,91 7.836,92 22.076,93 1.547,94 303.58,95 53,97 277.315,98 8.649,99 1.61,100 0.127,101 29.798,102 157.7,103 21.14,104 1.69,105 5.054,106 1.414,107 0.213,108 277.315,109 9.418,110 1618.02,111 1.822,112 2.864,113 0.385,114 4.811,115 151.58,116 526.697,117 22220.4,118 1.839,119 11159,120 6.653,121 18.808,122 0.141,123 3.981,124 10.569,125 666,126 3.32,127 22.173,128 3.473,129 1.96,131 7.385,132 2.869,133 2.869,134 11.535,135 4.091,136 1.7,137 1.7,138 4.921,139 5.8}
{0 CHEMBL2001751,1 1.139,2 1.59,3 315.647,4 2.88,5 1.586,6 2.876,7 1.616,8 271.773,9 1.15,10 1.371,11 3.029,12 0.784,13 2.588,14 3.085,15 1.394,16 1.29,17 1.61,18 4.168,19 4.846,20 1.041,21 5.429,22 2.05,23 4.717,24 25.415,25 1.103,26 1.103,27 4.193,28 30.721,29 1.93,30 1.93,31 0.743,32 4.324,33 2.294,34 42,35 1.094,36 5.147,37 5.318,38 66.773,39 3.811,40 2,41 21.495,42 0.748,43 0.748,44 4.135,45 4.219,46 236.226,47 2.817,48 3.805,49 1.578,50 1.816,51 3.444,52 1.744,53 3.621,54 4.217,55 4.335,56 415.01,57 5.004,58 0.078,59 3.668,60 3.489,61 60.225,62 0.988,63 3.652,64 5.187,65 40.498,66 2.325,67 25.175,68 5.125,69 3.408,70 11.596,71 2.551,72 2.551,73 6.3,74 3.446,75 0.078,76 5.214,77 2.666,78 311.194,79 346.413,80 17.636,81 65,82 0.165,83 4.955,84 14.701,85 24.894,86 24.894,87 24.894,88 24.894,89 24.894,90 3.341,91 9.395,92 28.433,93 1.798,94 354.413,95 60,97 348.413,98 9.017,99 1.626,100 0.103,101 43.676,102 199.567,103 22.5,104 1.714,105 5.133,106 1.572,107 0.188,108 348.413,109 11.381,110 2545.19,111 1.802,112 2.922,113 0.389,114 4.98,115 186.117,116 554.599,117 42262.1,118 1.819,119 23666,120 7.75,121 19.374,122 0.111,123 4.849,124 10.617,125 1208,126 3.395,127 24.485,128 3.615,129 1.977,131 8.827,132 2.851,133 2.851,134 13.287,135 4.311,136 1.837,137 1.837,138 5.143,139 5.9}
{0 CHEMBL2001920,2 0.353,3 61.723,4 1.661,5 0.312,6 1.81,7 0.838,8 72.525,11 1.993,12 0.109,13 -0.018,14 2.094,15 0.206,16 0.061,17 0.849,18 4.042,19 3.827,20 -1.07,21 4.078,22 -0.547,23 3.783,24 12.203,25 -1.315,26 -1.315,27 3.476,28 14.408,29 -4.658,30 -4.658,31 -1.432,32 3.372,33 -0.214,34 20.091,35 -2,36 4.419,37 4.248,38 24.927,39 3.123,41 10.448,42 -1.599,43 -1.599,44 4.027,45 3.322,46 86.532,47 1.442,48 3.068,49 0.642,50 1.205,51 2.604,52 -0.661,53 2.796,54 3.564,55 3.63,56 228.28,57 3.837,58 0.161,59 2.829,60 1.61,61 24.007,62 -0.875,63 2.889,64 3.881,65 18.925,66 1.56,67 12.323,68 4.071,69 2.616,70 5.042,71 -3.322,72 -3.322,73 4.296,74 1.251,75 0.165,76 3.913,77 0.778,78 95.287,79 104.042,80 8.559,81 25,82 0.349,83 3.94,84 6.698,85 11.809,86 11.809,87 11.809,88 11.809,89 11.809,90 1.527,91 3.911,92 12.948,93 0.463,94 104.042,95 23,97 104.042,98 7.071,99 1.032,100 0.214,101 9.778,102 73.706,103 12.203,104 0.996,105 4.009,106 0.373,107 0.278,108 104.042,109 4.803,110 425.275,111 1.082,112 2.423,114 3.807,115 75.059,116 296.562,117 3889.18,118 1.165,119 2434,120 3.806,121 9.144,122 0.233,123 2.924,124 4.31,125 244,126 2.698,127 12.861,128 2.963,129 1.583,131 2.701,132 2.331,133 2.331,134 6.64,135 3.585,136 0.535,137 0.535,138 4.144,139 5.8}
{0 CHEMBL2001923,1 1.356,2 1.661,3 211.888,4 3.217,5 1.682,6 3.204,7 1.845,8 112.393,9 1.412,10 1.497,11 3.387,12 1.004,13 2.977,14 3.451,15 1.635,16 1.605,17 1.844,18 4.21,19 5.222,20 1.471,21 6.273,22 2.491,23 5.079,24 35.187,25 1.525,26 1.525,27 4.51,28 50.952,29 3.646,30 3.646,31 1.329,32 4.64,33 2.783,34 56.625,35 1.9,36 5.666,37 6.075,38 92.367,39 4.105,40 1,41 30.134,42 1.35,43 1.35,44 4.177,45 4.536,46 318.891,47 3.22,48 4.109,49 1.843,50 2.005,51 3.722,52 2.336,53 3.805,54 4.515,55 4.662,56 573.68,57 5.425,58 0.056,59 3.827,60 4.447,61 83.283,62 1.689,63 3.82,64 5.674,65 55.303,66 2.712,67 35.132,68 5.591,69 3.68,70 16.102,71 4.206,72 4.206,73 9.13,74 4.929,75 0.057,76 5.626,77 3.21,78 418.194,79 474.564,80 24.39,81 89,82 0.12,83 5.368,84 20.02,85 34.341,86 34.341,87 34.341,88 34.341,89 34.341,90 4.209,91 12.958,92 39.183,93 2.186,94 521.319,95 82,96 2.299,97 479.319,98 9.951,99 1.866,100 0.075,101 92.853,102 306.747,103 32.243,104 1.881,105 5.543,106 1.649,107 0.16,108 479.319,109 15.863,110 5482.49,111 1.994,112 3.291,113 0.825,114 5.447,115 268.193,116 744.934,117 117780,118 2.005,119 59334,120 10.694,121 27.63,122 0.082,123 5.871,124 14.862,125 2307,126 3.765,127 34.191,128 3.934,129 2.628,130 1,131 12.461,132 2.979,133 2.979,134 18.697,135 4.698,136 2.247,137 2.247,138 5.607,139 5.8}
{0 CHEMBL2001998,1 1.064,2 1.503,3 128.276,4 2.91,5 1.54,6 2.941,7 1.649,8 144.846,9 1.153,10 1.253,11 3.111,12 0.845,13 2.402,14 3.206,15 1.429,16 1.364,17 1.64,18 4.161,19 4.971,20 0.932,21 5.545,22 1.933,23 4.783,24 24.24,25 0.966,26 0.966,27 4.115,28 37.182,29 1.321,30 1.321,31 0.541,32 4.349,33 2,34 40.563,35 0.952,36 5.176,37 5.403,38 69.059,39 3.735,40 1,41 21.452,42 0.581,43 0.581,44 4.128,45 4.222,46 236.335,47 2.661,48 3.727,49 1.635,50 1.786,51 3.496,52 1.52,53 3.558,54 4.146,55 4.271,56 412.1,57 5.101,58 0.086,59 3.51,60 3.414,61 61.203,62 1,63 3.49,64 5.331,65 38.847,66 2.228,67 24.182,68 5.033,69 3.412,70 11.362,71 2.275,72 2.275,73 6.497,74 3.789,75 0.087,76 5.332,77 2.512,78 302.191,79 329.02,80 16.657,81 65,82 0.182,83 5.016,84 13.817,85 23.618,86 23.618,87 23.618,88 23.618,89 23.618,90 3.138,91 9.157,92 25.948,93 1.651,94 361.775,95 61,96 4.229,97 329.02,98 8.819,99 1.488,100 0.113,101 48.166,102 187.576,103 22.553,104 1.677,105 5.227,106 1.513,107 0.196,108 329.02,109 11.128,110 2327.01,111 1.8,112 2.973,113 0.528,114 5.067,115 168.974,116 568.001,117 38205.7,118 1.783,119 20371,120 7.583,121 24.689,122 0.123,123 4.699,124 11.333,125 1236,126 3.331,127 23.493,128 3.56,129 2.186,130 2,131 8.44,132 2.815,133 2.815,134 12.548,135 4.29,136 1.673,137 1.673,138 5.052,139 6.3}
{0 CHEMBL2002240,1 0.627,2 1.195,4 2.554,5 1.183,6 2.532,7 1.254,9 0.699,10 0.856,11 2.73,12 0.366,13 0.882,14 2.797,15 0.911,16 0.942,17 1.254,18 4.128,19 4.296,20 -0.618,21 4.615,22 0.382,23 4.154,24 15.689,25 -0.618,26 -0.618,27 3.669,28 15.465,29 -2,30 -2,31 -0.739,32 3.827,33 0.722,34 26.284,35 -1.089,36 4.595,37 4.691,38 41.279,39 3.336,41 13.176,42 -0.765,43 -0.765,44 4.106,45 3.712,46 133.24,47 2.324,48 3.324,49 1.204,50 1.577,51 3.12,52 0.209,53 3.147,54 3.7,55 3.869,56 273.93,57 4.436,58 0.124,59 3.308,60 2.179,61 37.153,62 -0.57,63 3.292,64 4.591,65 25.434,66 1.835,67 15.557,68 4.443,69 3.055,70 6.994,71 -1.595,72 -1.595,73 3.489,74 2.074,75 0.126,76 4.637,77 1.804,78 153.24,79 175.24,80 11.08,81 39,82 0.268,83 4.405,84 9.086,85 15.455,86 15.455,87 15.455,88 15.455,89 15.455,90 2,91 5.669,92 16.414,93 1.317,94 192.75,95 37,97 183.995,98 7.77,99 1.375,100 0.166,101 17.376,102 105.725,103 14.867,104 1.292,105 4.574,106 1.131,107 0.247,108 179.995,109 6.786,110 813.704,111 1.61,112 2.621,114 4.387,115 104.042,116 378.68,117 9044.8,118 1.556,119 5033,120 5.111,121 10.261,122 0.182,123 3.409,124 7.067,125 416,126 2.849,127 16.397,128 3.189,129 1.589,131 4.945,132 2.448,133 2.448,134 8.423,135 3.832,136 1.336,137 1.336,138 4.494,139 6.3}
{0 CHEMBL2002322,1 0.453,2 0.988,3 100.196,4 2.345,5 0.965,6 2.317,7 1.208,8 52.746,9 0.514,10 0.771,11 2.53,12 0.288,13 0.657,14 2.603,15 0.83,16 0.643,17 1.185,18 4.125,19 4.344,20 -0.7,21 5.043,22 0.166,23 4.255,24 16.543,25 -0.804,26 -0.804,27 3.745,28 8.057,29 -2.395,30 -2.395,31 -0.7,32 3.774,33 0.5,34 24.307,35 -1,36 4.86,37 4.949,38 39.655,39 3.307,40 2,41 14.285,42 -1,43 -1,44 4.115,45 3.702,46 123.954,47 2.247,48 3.34,49 1.143,50 1.414,51 3.122,52 0.05,53 3.189,54 3.711,55 3.972,56 280.18,57 4.516,58 0.113,59 3.179,60 2.601,61 36.985,62 0.474,63 3.113,64 4.52,65 25.405,66 2.184,67 16.819,68 4.557,69 3.047,70 6.817,71 -2.059,72 -2.059,73 4.672,74 1.764,75 0.122,76 4.673,77 2.211,78 139.464,79 147.464,80 11.964,81 36,82 0.257,83 4.337,84 8.913,85 16.115,86 16.115,87 16.115,88 16.115,89 16.115,90 2.29,91 5.43,92 17.107,93 1.209,94 172.974,95 34,97 147.464,98 8.144,99 1.151,100 0.154,101 19,102 123.786,103 18.504,104 1.194,105 4.428,106 0.933,107 0.242,108 147.464,109 6.713,110 1041.94,111 1.224,112 2.485,114 4.386,115 100.702,116 360.136,117 12599.3,118 1.532,119 6375,120 5.278,121 4.577,122 0.167,123 3.452,124 6.224,125 441,126 3.262,127 19.276,128 3.305,129 1.634,131 6.046,132 3.166,133 3.166,134 11.318,135 3.797,136 1.304,137 1.304,138 4.675,139 5.8}
{0 CHEMBL2002323,1 0.385,2 0.936,3 62.138,4 2.261,5 0.925,6 2.266,7 1.004,8 36.19,9 0.47,10 0.644,11 2.535,12 0.263,13 0.154,14 2.626,15 0.777,16 0.738,17 1.018,18 4.172,19 4.126,20 -1.111,21 4.22,22 -0.261,23 3.967,24 12.313,25 -1.19,26 -1.19,27 3.436,28 11.966,29 -3.9,30 -3.9,31 -1.473,32 3.636,33 -0.244,34 20.006,35 -2.057,36 4.29,37 4.277,38 32.994,39 3.062,41 10.068,42 -1.551,43 -1.551,44 4.122,45 3.509,46 103.007,47 1.636,48 3.07,49 1.021,50 1.444,51 2.833,52 -0.62,53 2.967,54 3.441,55 3.636,56 195.27,57 4.214,58 0.15,59 2.983,60 1.639,61 29.454,62 -1.326,63 2.987,64 4.259,65 19.576,66 1.708,67 12.271,68 4.09,69 2.7,70 5.431,71 -3.166,72 -3.166,73 2.862,74 1.606,75 0.157,76 4.44,77 1.046,78 122.517,79 134.127,80 8.648,81 31,82 0.329,83 4.149,84 6.879,85 12.016,86 12.016,87 12.016,88 12.016,89 12.016,90 1.326,91 4.409,92 13.235,93 0.643,94 140.881,95 29,97 134.127,98 7.05,99 1.129,100 0.204,101 9.889,102 74.697,103 11.026,104 1.174,105 4.325,106 0.911,107 0.275,108 134.127,109 5.288,110 442.021,111 1.431,112 2.322,114 4.031,115 75.059,116 275.956,117 4089,118 1.415,119 2645,120 3.861,121 8.573,122 0.229,123 3.001,124 5.576,125 255,126 2.767,127 12.698,128 2.962,129 0.749,131 4.016,132 2.235,133 2.235,134 6.611,135 3.525,136 0.663,137 0.663,138 4.147,139 5.8}
{0 CHEMBL2002346,1 0.687,2 1.107,3 86.441,4 2.608,5 1.062,6 2.6,7 1.153,8 45.429,9 0.762,10 0.886,11 2.782,12 0.488,13 0.797,14 2.857,15 1.006,16 1.032,17 1.166,18 4.164,19 4.387,20 -0.581,21 4.663,22 0.346,23 4.227,24 16.239,25 -0.609,26 -0.609,27 3.692,28 16.849,29 -1.976,30 -1.976,31 -0.81,32 3.886,33 0.659,34 26.836,35 -1.164,36 4.477,37 4.605,38 42.568,39 3.356,41 13.638,42 -0.837,43 -0.837,44 4.124,45 3.762,46 128.613,47 2.143,48 3.347,49 1.181,50 1.627,51 2.948,52 0.134,53 3.241,54 3.726,55 3.895,56 255.52,57 4.409,58 0.119,59 3.229,60 2.296,61 37.927,62 -0.766,63 3.224,64 4.609,65 25.741,66 1.514,67 16.517,68 4.498,69 2.875,70 7.337,71 -1.515,72 -1.515,73 3.711,74 2.163,75 0.121,76 4.637,77 2,78 166.666,79 186.666,80 11.399,81 41,82 0.258,83 4.418,84 9.872,85 16.206,86 16.206,87 16.206,88 16.206,89 16.206,90 2,91 5.988,92 18.375,93 1.127,94 199.421,95 38,97 189.421,98 7.726,99 1.338,100 0.159,101 18.688,102 108.212,103 13.77,104 1.453,105 4.624,106 1.174,107 0.233,108 189.421,109 7.198,110 873.618,111 1.572,112 2.661,113 0.031,114 4.362,115 100.042,116 358.55,117 10005,118 1.64,119 6377,120 5.083,121 11.748,122 0.177,123 3.718,124 6.767,125 519,126 2.53,127 15.485,128 3.188,129 1.222,131 4.78,132 2.493,133 2.493,134 8.423,135 3.785,136 1.209,137 1.209,138 4.496,139 5.8}
{0 CHEMBL2002407,1 0.644,2 1.074,4 2.508,5 1.109,6 2.467,7 1.143,8 64.057,9 0.743,10 0.775,11 2.763,12 0.168,13 0.477,14 2.835,15 1.009,16 0.947,17 1.111,18 4.051,19 4.112,20 -0.863,21 3.829,22 0.042,23 3.982,24 13.692,25 -0.912,26 -0.912,27 3.456,28 13.605,29 -3.205,30 -3.205,31 -1.205,32 3.697,33 0.074,34 22.222,35 -1.758,36 3.932,37 3.892,38 36.156,39 3.11,40 1,41 12.4,42 -1.285,43 -1.285,44 4.012,45 3.59,46 131.735,47 1.46,48 3.142,49 1.088,50 1.53,51 3.016,52 -0.348,53 3.067,54 3.438,55 3.757,56 250.42,57 4.268,58 0.139,59 2.973,60 1.908,61 32.814,62 -0.844,63 2.962,64 4.432,65 22.117,66 1.419,67 14.497,68 4.294,69 2.951,70 5.722,71 -2.391,72 -2.391,73 2.811,74 1.59,75 0.142,76 4.445,77 1.381,78 146.49,79 153.245,80 10.1,81 33,82 0.303,83 4.151,84 8.156,85 14.179,86 14.179,87 14.179,88 14.179,89 14.179,90 1.478,91 4.678,92 13.929,93 0.496,94 160,95 32,97 153.245,98 7.497,99 1.123,100 0.187,101 14.304,102 94.208,103 14.613,104 1.25,105 4.28,106 0.997,107 0.268,108 153.245,109 5.573,110 667.934,111 1.496,112 2.565,114 4.222,115 92.239,116 366.299,117 7115.05,118 1.515,119 3757,120 4.944,121 8.197,122 0.206,123 3.189,124 6.133,125 345,126 2.463,127 15.405,128 3.103,129 1.469,131 3.847,132 2.432,133 2.432,134 7.621,135 3.545,136 0.555,137 0.555,138 4.367,139 5.8}
{0 CHEMBL2002446,1 1.064,2 1.527,3 117.909,4 2.91,5 1.499,6 2.941,7 1.53,8 216.539,9 1.153,10 1.278,11 3.111,12 0.825,13 2.163,14 3.206,15 1.429,16 1.513,17 1.559,18 4.168,19 5.012,20 0.766,21 5.724,22 1.765,23 4.822,24 24.632,25 0.83,26 0.83,27 4.165,28 37.869,29 1.636,30 1.636,31 0.557,32 4.367,33 2,34 43.023,35 0.979,36 5.215,37 5.568,38 70.52,39 3.847,40 2,41 20.867,42 0.677,43 0.677,44 4.137,45 4.246,46 228.165,47 2.74,48 3.791,49 1.581,50 1.723,51 3.45,52 1.525,53 3.625,54 4.25,55 4.247,56 416.34,57 5.107,58 0.086,59 3.652,60 3.289,61 62.298,62 0.721,63 3.645,64 5.23,65 39.836,66 2.318,67 23.589,68 5.007,69 3.416,70 11.925,71 1.915,72 1.915,73 7.542,74 4.008,75 0.087,76 5.373,77 2.692,78 313.814,79 325.814,80 16.225,81 68,82 0.182,83 4.989,84 13.559,85 22.98,86 22.98,87 22.98,88 22.98,89 22.98,90 3.179,91 9.478,92 26.641,93 1.701,94 376.569,95 63,96 4.971,97 333.814,98 8.741,99 1.582,100 0.113,101 50.25,102 179.194,103 21.407,104 1.591,105 5.201,106 1.513,107 0.194,108 333.814,109 11.525,110 2151.78,111 1.723,112 2.921,113 0.734,114 4.977,115 155.71,116 561.342,117 33872.3,118 1.717,119 19707,120 7.056,121 29.116,122 0.123,123 4.79,124 11.683,125 1167,126 3.417,127 22.2,128 3.532,129 2.233,130 2,131 10.521,132 2.679,133 2.679,134 12.251,135 4.341,136 1.778,137 1.778,138 5.001,139 5.8}
{0 CHEMBL2002649,1 0.261,2 0.966,3 64.754,4 2.154,5 0.938,6 2.163,7 1.066,8 77.454,9 0.324,10 0.745,11 2.396,12 0.253,13 -0.013,14 2.509,15 0.624,16 0.66,17 1.08,18 4.07,19 4.123,20 -1.355,21 4.007,22 -0.528,23 3.985,24 12.352,25 -1.478,26 -1.478,27 3.421,28 12.538,29 -4.158,30 -4.158,31 -1.468,32 3.621,33 -0.118,34 19.972,35 -2.126,36 4.304,37 4.127,38 32.575,39 3.045,41 10.805,42 -1.61,43 -1.61,44 4.041,45 3.515,46 113.862,47 1.532,48 3.066,49 1.082,50 1.537,51 2.798,52 -0.681,53 2.964,54 3.415,55 3.637,56 206.68,57 4.068,58 0.159,59 2.944,60 1.424,61 29.494,62 -1.429,63 2.939,64 4.278,65 19.601,66 1.626,67 12.729,68 4.109,69 2.725,70 5.372,71 -3.543,72 -3.543,73 2.821,74 1.54,75 0.16,76 4.241,77 1.398,78 131.372,79 136.127,80 8.775,81 31,82 0.337,83 4.077,84 7.282,85 12.386,86 12.386,87 12.386,88 12.386,89 12.386,90 1.303,91 4.368,92 13.523,93 0.564,94 140.881,95 29,97 136.127,98 7.048,99 1.157,100 0.21,101 11.432,102 75.018,103 11.05,104 1.282,105 4.232,106 1.007,107 0.272,108 136.127,109 5.247,110 451.237,111 1.551,112 2.208,114 4.074,115 75.059,116 281.953,117 4179.62,118 1.533,119 2694,120 4,121 9.171,122 0.227,123 3.069,124 5.533,125 274,126 2.643,127 12.535,128 2.962,129 0.857,131 3.81,132 2.383,133 2.383,134 6.599,135 3.444,136 0.618,137 0.618,138 4.141,139 5.8}
{0 CHEMBL2002702,1 0.59,2 1.021,3 64.336,4 2.382,5 0.979,6 2.386,7 1.096,8 76.722,9 0.704,10 0.773,11 2.597,12 0.265,13 0.151,14 2.613,15 1,16 1.041,17 1.116,18 4.097,19 4.221,20 -1.177,21 4.043,22 -0.174,23 4.061,24 12.722,25 -1.173,26 -1.173,27 3.52,28 13.652,29 -4.659,30 -4.659,31 -1.636,32 3.688,33 -0.281,34 22.034,35 -2.136,36 4.22,37 4.143,38 35.697,39 3.178,40 2,41 10.329,42 -1.635,43 -1.635,44 4.064,45 3.568,46 113.371,47 1.741,48 3.149,49 1.139,50 1.559,51 2.942,52 -0.631,53 3.025,54 3.566,55 3.634,56 221.49,57 4.304,58 0.158,59 3.001,60 1.718,61 31.833,62 -1.423,63 3.023,64 4.345,65 20.918,66 1.653,67 12.109,68 4.09,69 2.846,70 5.889,71 -3.244,72 -3.244,73 3.188,74 1.875,75 0.16,76 4.54,77 0.924,78 130.881,79 148.49,80 8.648,81 34,82 0.337,83 4.226,84 6.967,85 12.016,86 12.016,87 12.016,88 12.016,89 12.016,90 1.268,91 4.744,92 13.235,93 0.741,94 160,95 32,97 150.49,98 7.049,99 1.301,100 0.209,101 10.136,102 74.896,103 11.148,104 1.254,105 4.403,106 1.078,107 0.275,108 150.49,109 5.653,110 446.832,111 1.545,112 2.366,113 0.057,114 4.128,115 75.059,116 298.234,117 4137.91,118 1.579,119 2666,120 3.861,121 11.203,122 0.227,123 3.023,124 6.417,125 277,126 2.673,127 12.698,128 2.962,129 0.895,131 4.844,132 2.173,133 2.173,134 6.636,135 3.62,136 0.753,137 0.753,138 4.146,139 6.4}
{0 CHEMBL2002726,1 0.821,2 1.243,3 112.937,4 2.715,5 1.222,6 2.735,7 1.289,8 66.035,9 0.886,10 0.965,11 2.854,12 0.733,13 1.053,14 2.939,15 1.143,16 1.181,17 1.293,18 4.16,19 4.649,20 -0.182,21 4.754,22 0.786,23 4.486,24 19.228,25 -0.187,26 -0.187,27 3.897,28 23.926,29 -0.856,30 -0.856,31 -0.345,32 4.113,33 1.01,34 33.33,35 -0.461,36 4.575,37 4.7,38 54.939,39 3.566,40 1,41 15.922,42 -0.353,43 -0.353,44 4.123,45 3.988,46 175.783,47 2.397,48 3.538,49 1.306,50 1.761,51 3.131,52 0.631,53 3.401,54 3.946,55 4.04,56 322.51,57 4.797,58 0.102,59 3.407,60 2.629,61 48.687,62 -0.208,63 3.407,64 4.916,65 31.542,66 2.026,67 18.793,68 4.706,69 3.061,70 8.921,71 -0.455,72 -0.455,73 4.596,74 2.817,75 0.103,76 5.045,77 2.193,78 227.082,79 253.611,80 13.187,81 52,82 0.217,83 4.722,84 11.088,85 18.516,86 18.516,87 18.516,88 18.516,89 18.516,90 2.514,91 7.231,92 20.572,93 1.392,94 275.121,95 49,97 256.366,98 8.18,99 1.484,100 0.136,101 26.617,102 136.221,103 17.564,104 1.697,105 4.921,106 1.231,107 0.22,108 256.366,109 8.673,110 1308.79,111 1.765,112 2.687,113 0.218,114 4.677,115 124.382,116 459.267,117 17472.8,118 1.772,119 10189,120 5.917,121 17.865,122 0.152,123 4.061,124 8.9,125 708,126 3.058,127 18.64,128 3.339,129 1.492,131 7.253,132 2.626,133 2.626,134 9.933,135 4.052,136 1.405,137 1.405,138 4.728,139 5.8}
{0 CHEMBL2002992,1 0.7,2 1.208,3 85.554,4 2.425,5 1.185,6 2.411,7 1.376,8 45.061,9 0.799,10 1.015,11 2.738,12 0.637,13 0.5,14 2.894,15 1.183,16 1.175,17 1.428,18 4.148,19 4.61,20 -0.947,21 4.22,23 4.416,24 15.218,25 -1,26 -1,27 3.716,28 27.049,29 -2.439,30 -2.439,31 -0.948,32 3.993,34 27.33,35 -1.284,36 4.22,37 4.143,38 48.939,39 3.355,41 12.85,42 -1,43 -1,44 4.104,45 3.845,46 154.026,47 2,48 3.316,49 1.424,50 1.688,51 3.206,52 -0.05,53 3.216,54 3.795,55 3.781,56 266.07,57 4.825,58 0.13,59 3.244,60 1.937,61 42.687,62 -1,63 3.242,64 5.036,65 25.542,66 1.504,67 14.318,68 4.322,69 3.111,70 7.558,71 -2.262,72 -2.262,73 4.604,74 2.749,75 0.133,76 5.103,77 1.964,78 196.574,79 206.574,80 10.148,81 45,82 0.284,83 4.758,84 8.271,85 14.137,86 14.137,87 14.137,88 14.137,89 14.137,90 1.749,91 6.137,92 15.315,93 1,94 233.329,95 43,97 206.574,98 7.463,99 1.395,100 0.176,101 14.939,102 95.155,103 14.394,104 1.513,105 5.01,106 1.225,107 0.256,108 206.574,109 7.385,110 695.406,111 1.639,112 2.484,113 0.112,114 4.733,115 86.239,116 389.264,117 7410.69,118 1.692,119 4466,120 4.611,121 18.424,122 0.196,123 3.365,124 7.533,125 401,126 2.515,127 14.82,128 3.103,129 1,131 6.909,132 2.596,133 2.596,134 7.805,135 3.932,136 1,137 1,138 4.366,139 5.3}
{0 CHEMBL2003271,1 0.591,2 0.984,3 96.7,4 2.465,5 0.918,6 2.469,7 1.062,8 50.849,9 0.638,10 0.886,11 2.634,12 0.218,13 0.624,14 2.678,15 0.846,16 0.79,17 1.107,18 4.101,19 4.144,20 -0.588,21 4.595,22 0.085,23 4.081,24 16.095,25 -0.811,26 -0.811,27 3.741,28 13.068,29 -2.226,30 -2.226,31 -0.918,32 3.701,33 0.5,34 26.949,35 -1.253,36 4.595,37 4.635,38 36.243,39 3.394,40 2,41 13.37,42 -1,43 -1,44 4.103,45 3.638,46 117.181,47 2.142,48 3.351,49 1.062,50 1.434,51 2.935,52 0.053,53 3.077,54 3.812,55 3.901,56 295.54,57 4.31,58 0.12,59 3.132,60 2.254,61 34.324,62 -0.232,63 3.113,64 4.333,65 25.776,66 1.842,67 16.14,68 4.478,69 2.928,70 6.761,71 -2,72 -2,73 5.54,74 1.753,75 0.128,76 4.405,77 2,78 135.445,79 153.71,80 11.38,81 35,82 0.27,83 4.327,84 8.886,85 15.637,86 15.637,87 15.637,88 15.637,89 15.637,90 2,91 5.279,92 16.531,93 1.087,94 166.465,95 33,97 156.465,98 7.897,99 1.157,100 0.164,101 17.271,102 111.842,103 17.484,104 1.181,105 4.41,106 0.84,107 0.246,108 156.465,109 6.454,110 893.309,111 1.311,112 2.857,114 4.219,115 106.039,116 407.936,117 10210.3,118 1.477,119 5529,120 5.194,121 1.25,122 0.183,123 3.424,124 6.012,125 448,126 3.05,127 17.43,128 3.229,129 1.953,131 3.627,132 2.675,133 2.675,134 8.844,135 3.914,136 1.164,137 1.164,138 4.557,139 5.8}
{0 CHEMBL2003286,2 0.693,4 1.646,5 0.732,6 1.676,7 0.982,8 47.816,10 0.316,11 2.083,12 0.154,13 -0.414,14 2.162,15 0.422,16 0.472,17 1,18 3.966,19 3.925,20 -1.452,21 3.434,22 -0.714,23 3.839,24 11.253,25 -1.635,26 -1.635,27 3.304,28 12.746,29 -4.895,30 -4.895,31 -1.513,32 3.464,33 -0.5,34 18.517,35 -2,36 3.689,37 3.638,38 28.917,39 2.99,41 9.949,42 -1.716,43 -1.716,44 3.954,45 3.403,46 100.702,47 1.038,48 2.98,49 0.892,50 1.411,51 2.804,52 -0.814,53 2.847,54 3.321,55 3.554,56 212.07,57 3.928,58 0.157,59 2.906,60 1.187,61 27.022,62 -1.261,63 2.897,64 4.061,65 18.175,66 1.42,67 11.594,68 3.989,69 2.763,70 4.688,71 -4.603,72 -4.603,73 2.954,74 1.286,75 0.165,76 4.069,77 0.553,78 112.702,79 117.457,80 8.097,81 27,82 0.343,83 3.951,84 6.469,85 11.179,86 11.179,87 11.179,88 11.179,89 11.179,90 1.033,91 3.744,92 11.444,93 0.117,94 122.211,95 26,97 117.457,98 6.864,99 1.111,100 0.218,101 10.201,102 70.246,103 12.014,104 1.081,105 4.034,106 0.568,107 0.296,108 117.457,109 4.5,110 407.317,111 1.239,112 2.093,114 3.89,115 69.487,116 303.143,117 3699.83,118 1.405,119 2189,120 3.806,121 8.097,122 0.24,123 2.892,124 4.95,125 252,126 2.463,127 12.414,128 2.908,129 0.941,131 4.014,132 2.209,133 2.209,134 6.245,135 3.312,136 0.131,137 0.131,138 4.062,139 5.8}
{0 CHEMBL2003456,2 0.788,3 54.107,4 1.774,5 0.76,6 1.748,7 0.919,8 30.908,10 0.494,11 2.197,12 0.218,13 -0.5,14 2.335,15 0.267,16 0.381,17 0.933,18 4.053,19 3.951,20 -1.631,21 3.892,22 -0.77,23 3.822,24 11.043,25 -1.732,26 -1.732,27 3.321,28 8.748,29 -5.173,30 -5.173,31 -1.678,32 3.482,33 -0.5,34 17.756,35 -2.156,36 4.127,37 4.007,38 27.95,39 2.962,41 9.449,42 -1.752,43 -1.752,44 4.019,45 3.37,46 74.935,47 1.332,48 2.971,49 0.959,50 1.149,51 2.801,52 -0.795,53 2.832,54 3.339,55 3.533,56 180.59,57 3.893,58 0.164,59 2.715,60 1.124,61 25.284,62 -1.526,63 2.735,64 3.966,65 17.359,66 1.409,67 11.163,68 3.954,69 2.748,70 4.899,71 -4.789,72 -4.789,73 2.475,74 1.394,75 0.169,76 4.108,77 0.57,78 91.832,79 105.342,80 7.826,81 27,82 0.351,83 4.01,84 6.594,85 11.016,86 11.016,87 11.016,88 11.016,89 11.016,90 1.064,91 4.001,92 12.425,93 0.377,94 116.096,95 25,97 108.096,98 6.683,99 0.93,100 0.223,101 8.594,102 63.653,103 9.218,104 1.145,105 4.192,106 0.81,107 0.284,108 108.096,109 4.819,110 346.721,111 1.181,112 1.944,114 3.743,115 60,116 241.986,117 2907.23,118 1.144,119 2077,120 3.472,121 6.512,122 0.244,123 2.933,124 4.45,125 245,126 2.448,127 10.958,128 2.854,129 0.606,131 3.176,132 2,133 2,134 5.857,135 3.365,136 0.41,137 0.41,138 3.974,139 5.8}
{0 CHEMBL2003482,1 0.236,2 0.989,4 2.107,5 0.992,6 2.121,7 1.062,8 85.725,9 0.364,10 0.723,11 2.387,12 0.347,13 0.033,14 2.499,15 0.721,16 0.755,17 1.107,18 4.091,19 4.301,20 -1.134,21 3.951,22 -0.319,23 4.142,24 13.455,25 -1.28,26 -1.28,27 3.553,28 14.216,29 -3.231,30 -3.231,31 -1.27,32 3.733,33 -0.081,34 22.898,35 -1.632,36 3.989,37 3.871,38 37.14,39 3.204,41 11.325,42 -1.36,43 -1.36,44 4.038,45 3.613,46 120.465,47 1.863,48 3.177,49 1.181,50 1.575,51 2.925,52 -0.439,53 2.885,54 3.613,55 3.687,56 233.04,57 4.269,58 0.143,59 3.084,60 1.684,61 33.258,62 -1.034,63 3.076,64 4.332,65 21.767,66 1.615,67 13.111,68 4.189,69 2.854,70 6.295,71 -3.024,72 -3.024,73 3.587,74 2.045,75 0.147,76 4.514,77 1.396,78 142.465,79 150.465,80 9.22,81 35,82 0.311,83 4.376,84 7.626,85 12.878,86 12.878,87 12.878,88 12.878,89 12.878,90 1.495,91 5.051,92 14.216,93 0.863,94 166.465,95 33,97 150.465,98 7.163,99 1.332,100 0.193,101 12.188,102 83.313,103 12.548,104 1.347,105 4.59,106 0.915,107 0.265,108 150.465,109 6.143,110 556.676,111 1.542,112 2.375,114 4.099,115 76.711,116 324.588,117 5551.5,118 1.584,119 3615,120 4.139,121 11.472,122 0.211,123 3.273,124 5.843,125 364,126 2.68,127 13.242,128 3.009,129 1,131 5.171,132 2.334,133 2.334,134 7.014,135 3.619,136 0.876,137 0.876,138 4.224,139 5.8}
{0 CHEMBL2003524,1 0.583,2 1.118,3 60.658,4 2.593,5 1.094,6 2.547,7 1.353,8 35.656,9 0.624,10 0.9,11 2.79,12 0.477,13 0.59,14 2.807,15 0.895,16 0.966,17 1.362,18 4.148,19 4.359,20 -0.82,21 4.762,22 0.141,23 4.214,24 14.358,25 -0.845,26 -0.845,27 3.588,28 18.677,29 -2.754,30 -2.754,31 -0.999,32 3.777,33 0.276,34 23.398,35 -1.316,36 4.905,37 4.934,38 39.325,39 3.195,41 12.829,42 -1.053,43 -1.053,44 4.134,45 3.687,46 125.471,47 1.72,48 3.217,49 1.342,50 1.556,51 3.047,52 -0.071,53 3.235,54 3.569,55 3.779,56 247.86,57 4.389,58 0.145,59 2.994,60 2.335,61 35.814,62 -0.714,63 2.981,64 4.697,65 23.063,66 1.749,67 14.663,68 4.289,69 2.989,70 6.403,71 -2.429,72 -2.429,73 3.592,74 2.121,75 0.146,76 4.508,77 1.347,78 145.26,79 149.26,80 10.1,81 37,82 0.306,83 4.328,84 7.984,85 14.265,86 14.265,87 14.265,88 14.265,89 14.265,90 1.835,91 5.157,92 14.74,93 0.725,94 179.525,95 35,97 155.26,98 7.534,99 1.258,100 0.189,101 13.61,102 91.021,103 13.835,104 1.394,105 4.451,106 1.161,107 0.26,108 153.26,109 6.185,110 606.363,111 1.575,112 2.655,113 0.075,114 4.526,115 92.239,116 345.93,117 6154.94,118 1.598,119 3424,120 4.778,121 13.212,122 0.207,123 3.083,124 7.533,125 309,126 2.758,127 15.146,128 3.106,129 1.146,131 5.167,132 2.567,133 2.567,134 7.773,135 3.698,136 0.787,137 0.787,138 4.363,139 5.8}
{0 CHEMBL2003638,1 0.821,2 1.275,3 129.431,4 2.734,5 1.321,6 2.735,7 1.455,8 155.424,9 0.886,10 1.061,11 2.896,12 0.549,13 2.206,14 2.956,15 1.107,16 1.181,17 1.409,18 4.173,19 4.617,20 0.71,21 5.328,22 1.706,23 4.48,24 21.416,25 0.725,26 0.725,27 3.972,28 20.578,29 1.493,30 1.493,31 0.593,32 4.127,33 2.087,34 33.995,35 0.882,36 4.927,37 5.198,38 54.03,39 3.597,41 18.046,42 0.6,43 0.6,44 4.131,45 4.012,46 170.953,47 2.483,48 3.604,49 1.337,50 1.693,51 3.265,52 1.591,53 3.42,54 3.978,55 4.183,56 336.7,57 4.737,58 0.088,59 3.605,60 3.247,61 48.752,62 0.674,63 3.567,64 4.836,65 33.387,66 2.139,67 21.583,68 4.907,69 3.221,70 9.511,71 1.736,72 1.736,73 4.901,74 2.731,75 0.09,76 4.955,77 2.353,78 211.059,79 250.078,80 15.153,81 52,82 0.188,83 4.703,84 12.637,85 21.325,86 21.325,87 21.325,88 21.325,89 21.325,90 3.235,91 7.747,92 24.156,93 1.476,94 268.078,95 48,97 258.078,98 8.589,99 1.407,100 0.118,101 36.11,102 162.865,103 19.164,104 1.539,105 4.887,106 1.211,107 0.203,108 258.078,109 9.357,110 1788.41,111 1.618,112 2.804,113 0.218,114 4.626,115 149.58,116 461.041,117 26023.4,118 1.745,119 14743,120 6.694,121 12.425,122 0.131,123 4.395,124 8.693,125 899,126 3.207,127 21.209,128 3.472,129 1.892,131 6.229,132 2.792,133 2.792,134 11.428,135 4.034,136 1.496,137 1.496,138 4.922,139 5.8}
{0 CHEMBL2003657,1 0.949,2 1.336,3 111.285,4 2.72,5 1.303,6 2.736,7 1.445,8 196.686,9 0.973,10 1.176,11 2.874,12 0.581,13 2.066,14 3.009,15 1.308,16 1.181,17 1.464,18 4.257,19 4.692,20 0.539,21 5.817,22 1.521,23 4.565,24 21.577,25 0.571,26 0.571,27 4.045,28 20.609,29 0.695,30 0.695,31 0.212,32 4.128,33 1.698,34 35.5,35 0.342,36 5.342,37 5.694,38 54.996,39 3.679,40 2,41 17.396,42 0.24,43 0.24,44 4.238,45 4.037,46 197.288,47 2.579,48 3.638,49 1.417,50 1.691,51 3.226,52 1.133,53 3.4,54 4.092,55 4.173,56 344.83,57 4.898,58 0.095,59 3.704,60 3.413,61 50.014,62 0.358,63 3.77,64 4.955,65 33.982,66 2.195,67 21.268,68 4.857,69 3.203,70 9.585,71 1.535,72 1.535,73 7.981,74 2.855,75 0.103,76 5.071,77 2.349,78 227.205,79 242.856,80 14.769,81 53,82 0.222,83 4.781,84 11.46,85 20.496,86 20.496,87 20.496,88 20.496,89 20.496,90 3.297,91 7.54,92 22.887,93 1.537,94 275.121,95 49,97 245.611,98 8.646,99 1.465,100 0.129,101 25.831,102 156.902,103 20.313,104 1.496,105 4.931,106 1.263,107 0.209,108 245.611,109 9.127,110 1600.3,111 1.615,112 2.832,113 0.363,114 4.802,115 145.58,116 480.618,117 21546.4,118 1.72,119 11616,120 6.472,121 18.096,122 0.143,123 3.979,124 9.526,125 687,126 3.322,127 21.913,128 3.473,129 1.743,131 8.201,132 2.889,133 2.889,134 11.756,135 4.198,136 1.635,137 1.635,138 4.927,139 5.8}
{0 CHEMBL2003817,1 0.457,2 1.017,4 2.398,5 0.996,6 2.369,7 1.125,9 0.541,10 0.789,11 2.629,12 0.245,13 0.75,14 2.732,15 0.869,16 0.817,17 1.11,18 4.113,19 4.314,20 -0.7,21 4.382,22 0.268,23 4.182,24 15.634,25 -0.727,26 -0.727,27 3.584,28 13.092,29 -2.269,30 -2.269,31 -0.7,32 3.796,33 0.5,34 23.341,35 -1,36 4.454,37 4.533,38 39.381,39 3.186,41 13.638,42 -1,43 -1,44 4.085,45 3.689,46 119.464,47 2.323,48 3.248,49 1.065,50 1.484,51 3.02,52 -0.012,53 3.164,54 3.523,55 3.907,56 256.52,57 4.371,58 0.117,59 3.135,60 2.269,61 35.909,62 -0.266,63 3.078,64 4.492,65 24.079,66 1.795,67 16.308,68 4.498,69 2.954,70 6.56,71 -1.993,72 -1.993,73 3.123,74 1.786,75 0.128,76 4.559,77 1.916,78 148.219,79 166.219,80 11.432,81 36,82 0.274,83 4.327,84 9.303,85 15.764,86 15.764,87 15.764,88 15.764,89 15.764,90 2.132,91 5.361,92 16.989,93 1.289,94 172.974,95 34,97 168.219,98 7.854,99 1.169,100 0.162,101 21.375,102 114.441,103 16.004,104 1.196,105 4.495,106 0.976,107 0.243,108 168.219,109 6.52,110 962.087,111 1.364,112 2.527,114 4.295,115 105.284,116 349.69,117 11325.4,118 1.537,119 6326,120 5.139,121 7.185,122 0.176,123 3.588,124 6.112,125 517,126 2.842,127 17.156,128 3.228,129 1.499,131 4.262,132 2.614,133 2.614,134 9.26,135 3.607,136 1.365,137 1.365,138 4.555,139 5.8}
{0 CHEMBL2004311,1 1.002,2 1.444,3 127.275,4 2.912,5 1.404,6 2.919,7 1.507,8 67.958,9 1.039,10 1.184,11 3.046,12 0.715,13 1.193,14 3.111,15 1.269,16 1.273,17 1.557,18 4.098,19 4.712,20 -0.134,21 4.949,22 0.84,23 4.546,24 20.476,25 -0.137,26 -0.137,27 3.985,28 28.182,29 -0.891,30 -0.891,31 -0.347,32 4.159,33 1,34 35.54,35 -0.445,36 4.718,37 4.828,38 58.066,39 3.637,41 16.744,42 -0.347,43 -0.347,44 4.075,45 4.038,46 173.046,47 2.664,48 3.607,49 1.567,50 1.63,51 3.35,52 0.653,53 3.367,54 4.038,55 4.101,56 363.16,57 4.887,58 0.101,59 3.254,60 2.695,61 51.796,62 0.237,63 3.217,64 5.073,65 33.762,66 2.171,67 19.385,68 4.777,69 3.266,70 9.498,71 -0.37,72 -0.37,73 5.1,74 3.042,75 0.101,76 5.106,77 2.537,78 213.1,79 246.384,80 13.902,81 55,82 0.214,83 4.766,84 11.164,85 19.256,86 19.256,87 19.256,88 19.256,89 19.256,90 2.481,91 7.648,92 21.096,93 1.657,94 296.423,95 52,97 266.158,98 8.389,99 1.312,100 0.132,101 28.785,102 148.87,103 19.223,104 1.574,105 4.935,106 1.476,107 0.218,108 264.158,109 9.121,110 1516.83,111 1.639,112 2.911,113 0.317,114 4.861,115 134.881,116 490.405,117 21015.1,118 1.659,119 11591,120 6.222,121 18.712,122 0.143,123 4.054,124 10.333,125 751,126 3.187,127 20.543,128 3.408,129 2.13,131 8.04,132 2.79,133 2.79,134 10.721,135 4.178,136 1.658,137 1.658,138 4.832,139 5.8}
{0 CHEMBL2004355,1 0.789,2 1.236,4 2.715,5 1.245,6 2.69,7 1.267,9 0.875,10 0.886,11 2.854,12 0.35,13 1,14 2.925,15 1.107,16 1.153,17 1.242,18 4.057,19 4.489,20 -0.405,21 4.094,22 0.557,23 4.355,24 17.261,25 -0.423,26 -0.423,27 3.71,28 20.872,29 -1.722,30 -1.722,31 -0.761,32 3.97,33 0.965,34 29.063,35 -1.019,36 4.159,37 4.078,38 48.74,39 3.403,41 14.865,42 -0.803,43 -0.803,44 4.07,45 3.869,46 176.849,47 2.086,48 3.389,49 1.181,50 1.723,51 3.175,52 0.161,53 3.404,54 3.729,55 3.961,56 323.75,57 4.61,58 0.111,59 3.278,60 2.302,61 44.196,62 -0.191,63 3.273,64 4.776,65 28.314,66 1.824,67 17.328,68 4.583,69 3.106,70 7.492,71 -0.989,72 -0.989,73 4.276,74 2.338,75 0.123,76 4.788,77 2,78 202.965,79 210.574,80 12.257,81 44,82 0.263,83 4.57,84 9.791,85 16.85,86 16.85,87 16.85,88 16.85,89 16.85,90 2,91 5.993,92 16.701,93 1.059,94 233.329,95 43,97 210.574,98 8.076,99 1.391,100 0.157,101 24.698,102 129.17,103 19.672,104 1.256,105 4.729,106 1.176,107 0.245,108 210.574,109 7.189,110 1188.19,111 1.547,112 2.723,113 0.088,114 4.565,115 116.211,116 460.024,117 15385.3,118 1.691,119 7547,120 5.833,121 16.085,122 0.178,123 3.655,124 7.817,125 589,126 2.922,127 19.32,128 3.303,129 1.747,131 6.371,132 2.63,133 2.63,134 9.791,135 3.837,136 1.176,137 1.176,138 4.673,139 5.8}
{0 CHEMBL2004419,1 0.827,2 1.308,3 105.934,4 2.715,5 1.266,6 2.735,7 1.445,8 186.88,9 0.934,10 1.171,11 2.874,12 0.611,13 1.724,14 3.009,15 1.298,16 1.221,17 1.464,18 4.237,19 4.702,20 0.292,21 5.765,22 1.23,23 4.545,24 21.014,25 0.329,26 0.329,27 4.008,28 22.274,29 0.15,30 0.15,31 0.05,32 4.14,33 1.35,34 34.642,35 0.072,36 5.347,37 5.673,38 55.413,39 3.631,40 2,41 17.197,42 0.057,43 0.057,44 4.202,45 4.026,46 195.082,47 2.687,48 3.608,49 1.417,50 1.688,51 3.202,52 0.95,53 3.401,54 4.036,55 4.146,56 332.11,57 4.853,58 0.094,59 3.529,60 3.335,61 49.68,62 0.356,63 3.547,64 4.971,65 33.275,66 2.139,67 20.759,68 4.825,69 3.165,70 9.53,71 0.918,72 0.918,73 5.795,74 2.964,75 0.099,76 5.083,77 2.353,78 232.101,79 245.611,80 14.419,81 53,82 0.207,83 4.76,84 11.491,85 20.102,86 20.102,87 20.102,88 20.102,89 20.102,90 2.871,91 7.635,92 22.6,93 1.631,94 275.121,95 49,97 245.611,98 8.554,99 1.464,100 0.127,101 25.102,102 150.196,103 19.347,104 1.544,105 4.949,106 1.279,107 0.21,108 245.611,109 9.198,110 1483.97,111 1.611,112 2.781,113 0.353,114 4.792,115 139.207,116 460.585,117 19562.6,118 1.721,119 10745,120 6.333,121 17.799,122 0.14,123 3.966,124 9.586,125 660,126 3.238,127 20.991,128 3.442,129 1.886,131 7.549,132 2.644,133 2.644,134 11.149,135 4.129,136 1.752,137 1.752,138 4.877,139 5.8}
{0 CHEMBL2004438,1 0.821,2 1.318,4 2.752,5 1.325,6 2.752,7 1.4,9 0.886,10 1.027,11 2.897,12 0.352,13 1.501,14 2.969,15 1.107,16 1.181,17 1.326,18 4.121,19 4.6,20 0.206,21 4.92,22 1.178,23 4.472,24 20.709,25 0.215,26 0.215,27 3.928,28 22.09,29 -0.184,30 -0.184,31 -0.065,32 4.098,33 1.204,34 32.625,35 -0.083,36 4.779,37 4.913,38 53.626,39 3.543,41 17.648,42 -0.069,43 -0.069,44 4.09,45 3.985,46 157.317,47 2.55,48 3.568,49 1.282,50 1.593,51 3.306,52 0.883,53 3.382,54 3.912,55 4.165,56 346.44,57 4.763,58 0.092,59 3.318,60 3.022,61 48.56,62 0.51,63 3.3,64 4.938,65 32.659,66 2.272,67 20.973,68 4.87,69 3.261,70 8.995,71 0.538,72 0.538,73 4.581,74 2.528,75 0.098,76 4.96,77 2.431,78 199.582,79 232.801,80 14.809,81 50,82 0.209,83 4.68,84 11.899,85 20.488,86 20.488,87 20.488,88 20.488,89 20.488,90 2.835,91 7.326,92 22.364,93 1.526,94 261.066,95 47,97 246.311,98 8.569,99 1.355,100 0.123,101 33.101,102 164.333,103 20.641,104 1.386,105 4.85,106 1.205,107 0.211,108 242.311,109 8.883,110 1814.98,111 1.553,112 2.787,113 0.218,114 4.73,115 144.825,116 460.776,117 27113,118 1.631,119 14540,120 6.611,121 12.012,122 0.135,123 4.253,124 8.329,125 900,126 3.348,127 22.01,128 3.471,129 1.843,131 6.506,132 2.737,133 2.737,134 11.874,135 4.033,136 1.587,137 1.587,138 4.929,139 6.5}
{0 CHEMBL2004447,1 0.804,2 1.308,3 84.021,4 2.57,5 1.239,6 2.618,7 1.239,8 45.816,9 0.884,10 0.934,11 2.874,12 0.469,13 0.538,14 3.009,15 1.17,16 1.127,17 1.308,18 4.113,19 4.473,20 -0.862,21 4.691,22 0.093,23 4.309,24 15.771,25 -0.886,26 -0.886,27 3.739,28 24.216,29 -3,30 -3,31 -1,32 3.92,33 0.104,34 26.745,35 -1,36 4.796,37 4.745,38 45.449,39 3.338,40 1,41 13.196,42 -1,43 -1,44 4.08,45 3.797,46 152.148,47 2.127,48 3.331,49 1.341,50 1.484,51 3.015,53 3.012,54 3.76,55 3.859,56 281.52,57 4.835,58 0.138,59 3.248,60 2.25,61 40.432,62 -0.688,63 3.229,64 4.953,65 25.871,66 1.792,67 15.234,68 4.403,69 2.947,70 7.149,71 -2.246,72 -2.246,73 3.905,74 2.29,75 0.14,76 5.083,77 2.005,78 167.593,79 175.593,80 10.842,81 42,82 0.296,83 4.581,84 8.439,85 14.963,86 14.963,87 14.963,88 14.963,89 14.963,90 2,91 5.753,92 15.72,93 1.119,94 212.877,95 40,97 177.593,98 7.82,99 1.109,100 0.179,101 13.69,102 102.611,103 15.579,104 1.417,105 4.738,106 1.239,107 0.252,108 177.593,109 6.857,110 714.561,111 1.417,112 2.499,113 0.102,114 4.741,115 99.287,116 400.084,117 7929.43,118 1.531,119 4224,120 4.944,121 14.207,122 0.19,123 3.177,124 8.21,125 312,126 2.881,127 16.776,128 3.191,129 1.495,131 6.275,132 2.683,133 2.683,134 8.518,135 3.949,136 1.16,137 1.16,138 4.498,139 5.8}
{0 CHEMBL2004716,1 1.232,2 1.6,3 187.414,4 3.089,5 1.584,6 3.123,7 1.618,8 98.919,9 1.297,10 1.351,11 3.306,12 0.932,13 2.5,14 3.398,15 1.541,16 1.556,17 1.638,18 4.135,19 5.055,20 1,21 5.308,22 2,23 4.87,24 27.569,25 1,26 1,27 4.228,28 50.563,29 2.244,30 2.244,31 0.785,32 4.495,33 2.248,34 49.25,35 1.183,36 4.963,37 5.204,38 82.141,39 3.931,40 1,41 23.348,42 0.909,43 0.909,44 4.123,45 4.363,46 280.986,47 3.05,48 3.882,49 1.725,50 1.935,51 3.496,52 1.795,53 3.61,54 4.307,55 4.385,56 502.29,57 5.196,58 0.076,59 3.586,60 3.427,61 72.712,62 1,63 3.579,64 5.5,65 46.12,66 2.348,67 26.959,68 5.213,69 3.445,70 12.904,71 2.275,72 2.275,73 7.447,74 4.486,75 0.078,76 5.417,77 2.773,78 362.838,79 398.838,80 18.872,81 76,82 0.166,83 5.105,84 15.62,85 26.394,86 26.394,87 26.394,88 26.394,89 26.394,90 3.414,91 10.407,92 27.739,93 2.005,94 451.857,95 73,96 2.257,97 405.593,98 9.234,99 1.641,100 0.101,101 66.447,102 224.351,103 28.589,104 1.732,105 5.318,106 1.584,107 0.19,108 403.593,109 12.427,110 3170.5,111 1.908,112 3.155,113 0.614,114 5.247,115 194.131,116 709.009,117 58247.5,118 1.929,119 27413,120 8.806,121 29.43,122 0.112,123 4.993,124 13.733,125 1427,126 3.4,127 27.777,128 3.692,129 2.25,130 1,131 11.185,132 2.678,133 2.678,134 14.41,135 4.449,136 2.088,137 2.088,138 5.247,139 7.5}
{0 CHEMBL2004871,1 0.638,2 1.107,4 2.543,5 1.062,6 2.528,7 1.064,8 60.697,9 0.728,10 0.886,11 2.77,12 0.358,13 0.5,14 2.836,15 1.077,16 1.099,17 1.107,18 4.114,19 4.4,20 -0.864,21 4.344,22 0.006,23 4.235,24 15.31,25 -0.926,26 -0.926,27 3.63,28 17.306,29 -2.347,30 -2.347,31 -0.946,32 3.858,33 0.5,34 25.739,35 -1.424,36 4.454,37 4.5,38 42.95,39 3.297,40 1,41 13.244,42 -1,43 -1,44 4.073,45 3.744,46 133.872,47 2,48 3.289,49 1.181,50 1.525,51 2.925,53 2.969,54 3.659,55 3.83,56 259.62,57 4.461,58 0.13,59 3.298,60 2,61 38.331,62 -0.916,63 3.294,64 4.667,65 24.85,66 1.523,67 15.598,68 4.407,69 2.854,70 7.01,71 -1.88,72 -1.88,73 3.466,74 2.234,75 0.135,76 4.677,77 1.984,78 167.911,79 177.421,80 10.792,81 40,82 0.288,83 4.454,84 9.401,85 15.267,86 15.267,87 15.267,88 15.267,89 15.267,90 2,91 5.705,92 16.296,93 1,94 199.421,95 38,97 177.421,98 7.646,99 1.2,100 0.175,101 17.76,102 99.497,103 14.581,104 1.303,105 4.668,106 1.181,107 0.248,108 177.421,109 6.897,110 730.903,111 1.467,112 2.634,113 0.185,114 4.463,115 90.107,116 378.897,117 7937,118 1.543,119 4505,120 5.028,121 12.996,122 0.191,123 3.41,124 6.693,125 387,126 2.557,127 15.364,128 3.148,129 1,131 5.302,132 2.282,133 2.282,134 8.099,135 3.754,136 1,137 1,138 4.424,139 5.8}
{0 CHEMBL2004872,1 0.75,2 1.107,4 2.627,5 1.062,6 2.652,7 1.331,9 0.822,10 0.886,11 2.792,12 0.57,13 0.839,14 2.873,15 1.052,16 1.115,17 1.315,18 4.036,19 4.515,20 -0.543,21 4.29,22 0.488,23 4.354,24 17.406,25 -0.539,26 -0.539,27 3.748,28 24.288,29 -1.461,30 -1.461,31 -0.671,32 3.983,33 0.632,34 30.017,35 -0.881,36 4.263,37 4.277,38 49.235,39 3.441,41 14.874,42 -0.704,43 -0.704,44 4.006,45 3.871,46 149.98,47 2.059,48 3.422,49 1.26,50 1.691,51 3.19,52 0.272,53 3.236,54 3.785,55 3.949,56 308.96,57 4.632,58 0.108,59 3.313,60 2.31,61 44.029,62 -0.384,63 3.308,64 4.897,65 28.708,66 1.827,67 17.432,68 4.583,69 3.144,70 7.877,71 -1.258,72 -1.258,73 3.966,74 2.493,75 0.109,76 4.835,77 2,78 194.176,79 218.705,80 12.169,81 46,82 0.229,83 4.552,84 10.211,85 17.077,86 17.077,87 17.077,88 17.077,89 17.077,90 2,91 6.4,92 18.087,93 1.053,94 240.215,95 44,97 222.705,98 7.955,99 1.396,100 0.146,101 23.984,102 122.669,103 16.969,104 1.563,105 4.734,106 1.181,107 0.235,108 222.705,109 7.627,110 1096.32,111 1.716,112 2.649,113 0.19,114 4.662,115 110.096,116 444.529,117 13714.9,118 1.679,119 7681,120 5.667,121 15.393,122 0.159,123 3.79,124 8.483,125 616,126 2.862,127 17.648,128 3.266,129 1.151,131 6.179,132 2.65,133 2.65,134 9.188,135 3.915,136 1.093,137 1.093,138 4.615,139 5.8}
{0 CHEMBL2004892,1 0.599,2 1.107,3 85.762,4 2.364,5 1.062,6 2.355,7 1.095,8 49.725,9 0.698,10 0.789,11 2.697,12 0.341,13 0.544,14 2.814,15 1.007,16 1.018,17 1.121,18 4.164,19 4.301,20 -0.88,21 4.511,23 4.174,24 14.447,25 -1,26 -1,27 3.613,28 18.635,29 -3,30 -3,31 -1,32 3.795,33 0.5,34 24.387,35 -1.5,36 4.419,37 4.454,38 39.408,39 3.289,40 1,41 11.399,42 -1,43 -1,44 4.129,45 3.688,46 123.467,47 2,48 3.251,49 1.181,50 1.642,51 2.925,53 3.03,54 3.651,55 3.778,56 242.59,57 4.365,58 0.133,59 3.195,60 2,61 35.556,62 -1,63 3.18,64 4.536,65 23.336,66 1.798,67 13.823,68 4.295,69 2.854,70 6.324,71 -3,72 -3,73 3.72,74 1.76,75 0.137,76 4.57,77 1.654,78 142.364,79 160.015,80 9.922,81 37,82 0.284,83 4.385,84 7.764,85 13.618,86 13.618,87 13.618,88 13.618,89 13.618,90 2,91 4.984,92 14.909,93 1,94 179.525,95 35,97 162.77,98 7.45,99 1.268,100 0.178,101 16.726,102 95.269,103 13.922,104 1.237,105 4.558,106 1.064,107 0.259,108 162.77,109 5.978,110 698.57,111 1.492,112 2.469,114 4.318,115 86.239,116 340.157,117 7450.5,118 1.693,119 4430,120 4.375,121 14.626,122 0.202,123 3.319,124 6.367,125 398,126 2.839,127 15.035,128 3.103,129 1,131 5.735,132 2.749,133 2.749,134 7.847,135 3.728,136 1,137 1,138 4.364,139 5.8}
{0 CHEMBL2004934,1 0.804,2 1.107,4 2.715,5 1.068,6 2.733,7 1.332,9 0.858,10 0.886,11 2.854,12 0.57,13 0.842,14 2.925,15 1.078,16 1.124,17 1.311,18 4.046,19 4.534,20 -0.472,21 4.382,22 0.508,23 4.382,24 17.956,25 -0.489,26 -0.489,27 3.795,28 26.632,29 -1.456,30 -1.456,31 -0.627,32 4.001,33 0.755,34 30.711,35 -0.876,36 4.357,37 4.357,38 50.492,39 3.474,41 15.321,42 -0.657,43 -0.657,44 4.022,45 3.894,46 154.144,47 2.258,48 3.458,49 1.253,50 1.691,51 3.194,52 0.303,53 3.237,54 3.824,55 3.984,56 321.33,57 4.684,58 0.107,59 3.316,60 2.495,61 45.323,62 -0.365,63 3.31,64 4.959,65 29.597,66 1.995,67 17.917,68 4.628,69 3.15,70 8.114,71 -1.201,72 -1.201,73 4.164,74 2.558,75 0.109,76 4.876,77 2.057,78 201.094,79 227.624,80 12.58,81 47,82 0.231,83 4.606,84 10.424,85 17.577,86 17.577,87 17.577,88 17.577,89 17.577,90 2.257,91 6.579,92 18.493,93 1.249,94 247.133,95 45,97 229.624,98 8.078,99 1.398,100 0.144,101 24.533,102 128.602,103 17.937,104 1.563,105 4.783,106 1.181,107 0.233,108 229.624,109 7.87,110 1184.61,111 1.718,112 2.687,113 0.195,114 4.734,115 118.211,116 452.682,117 15065.8,118 1.68,119 8214,120 5.861,121 15.283,122 0.158,123 3.805,124 8.676,125 637,126 3.049,127 18.518,128 3.304,129 1.619,131 6.667,132 2.651,133 2.651,134 9.628,135 3.958,136 1.266,137 1.266,138 4.672,139 5.8}
{0 CHEMBL2005186,1 1.034,2 1.499,3 128.372,4 2.904,5 1.509,6 2.903,7 1.608,8 75.859,9 1.086,10 1.304,11 3.031,12 0.722,13 2.385,14 3.091,15 1.308,16 1.417,17 1.595,18 4.169,19 4.829,20 0.899,21 5.533,22 1.899,23 4.672,24 23.87,25 0.925,26 0.925,27 4.08,28 26.548,29 1.3,30 1.3,31 0.501,32 4.294,33 1.952,34 39.796,35 0.698,36 5.1,37 5.425,38 65.145,39 3.731,40 1,41 19.976,42 0.563,43 0.563,44 4.13,45 4.174,46 219.405,47 2.834,48 3.724,49 1.47,50 1.899,51 3.455,52 1.468,53 3.466,54 4.101,55 4.271,56 391.32,57 4.924,58 0.079,59 3.527,60 3.441,61 58.218,62 0.957,63 3.519,64 5.033,65 38.299,66 2.235,67 23.579,68 5.033,69 3.409,70 10.902,71 2.322,72 2.322,73 5.218,74 3.442,75 0.082,76 5.155,77 2.523,78 277.444,79 315.498,80 16.547,81 62,82 0.173,83 4.903,84 13.801,85 23.187,86 23.187,87 23.187,88 23.187,89 23.187,90 3.084,91 8.857,92 25.948,93 1.818,94 339.763,95 58,97 320.253,98 8.879,99 1.603,100 0.108,101 40.298,102 182.674,103 22.022,104 1.578,105 5.099,106 1.448,107 0.196,108 320.253,109 10.61,110 2162.02,111 1.923,112 2.945,113 0.407,114 4.837,115 170.974,116 551.766,117 33286.3,118 1.886,119 17613,120 7.361,121 19.839,122 0.12,123 4.543,124 11.017,125 980,126 3.297,127 23.493,128 3.561,129 1.972,131 8.068,132 2.773,133 2.773,134 12.52,135 4.195,136 1.839,137 1.839,138 5.053,139 5.8}
{0 CHEMBL2005375,1 1.185,2 1.594,4 2.963,5 1.602,6 2.959,7 1.701,8 92.175,9 1.261,10 1.324,11 3.22,12 1.096,13 2,14 3.294,15 1.557,16 1.563,17 1.731,18 4.096,19 5.212,20 1,21 5.545,22 2,23 5.01,24 27.034,25 1,26 1,27 4.258,28 51.914,29 1.372,30 1.372,31 0.647,32 4.538,33 1.992,34 47.58,35 0.786,36 5.22,37 5.464,38 85.261,39 3.887,41 23.781,42 0.659,43 0.659,44 4.048,45 4.402,46 251.187,47 2.928,48 3.858,49 1.758,50 1.793,51 3.467,52 1.651,53 3.596,54 4.319,55 4.346,56 480.61,57 5.375,58 0.078,59 3.65,60 3.309,61 74.73,62 1,63 3.65,64 5.619,65 44.702,66 2.451,67 25.926,68 5.14,69 3.406,70 13.496,71 2.136,72 2.136,73 8.063,74 5.144,75 0.082,76 5.617,77 2.516,78 340.094,79 381.677,80 17.995,81 79,82 0.173,83 5.321,84 14.81,85 25.378,86 25.378,87 25.378,88 25.378,89 25.378,90 3.247,91 10.956,92 27.452,93 1.87,94 467.161,95 75,96 3.909,97 408.897,98 9.117,99 1.52,100 0.105,101 42.97,102 203.531,103 26.09,104 1.798,105 5.565,106 1.578,107 0.191,108 400.897,109 13.176,110 2602.16,111 1.86,112 3.033,113 0.816,114 5.389,115 184.75,116 679.396,117 42145.8,118 1.774,119 21526,120 8.25,121 34.048,122 0.111,123 4.615,124 14.133,125 1098,126 3.506,127 25.941,128 3.642,129 2.176,130 2,131 11.671,132 2.712,133 2.712,134 13.836,135 4.491,136 1.976,137 1.976,138 5.18,139 5.8}
{0 CHEMBL2005475,1 0.821,2 1.405,4 2.715,5 1.376,6 2.735,7 1.379,8 107.846,9 0.886,10 1.153,11 2.854,12 0.813,13 0.728,14 2.925,15 1.139,16 1.181,17 1.429,18 4.155,19 4.63,20 -0.598,21 4.762,22 0.406,23 4.463,24 17.614,25 -0.6,26 -0.6,27 3.862,28 25.908,29 -1.647,30 -1.647,31 -0.69,32 4.024,33 0.549,34 30.972,35 -0.988,36 4.605,37 4.745,38 50.361,39 3.537,40 2,41 14.927,42 -0.71,43 -0.71,44 4.13,45 3.903,46 154.398,47 2.154,48 3.469,49 1.346,50 1.607,51 3.206,52 0.266,53 3.238,54 3.968,55 3.93,56 296.94,57 4.731,58 0.114,59 3.306,60 2.281,61 44.662,62 -0.704,63 3.281,64 4.822,65 28.707,66 1.628,67 16.971,68 4.546,69 3.111,70 8.633,71 -1.327,72 -1.327,73 5.841,74 3.003,75 0.119,76 4.997,77 2,78 182.895,79 206.869,80 11.81,81 48,82 0.25,83 4.747,84 10.087,85 16.706,86 16.706,87 16.706,88 16.706,89 16.706,90 2.24,91 6.969,92 18.781,93 1.119,94 247.133,95 45,97 215.133,98 7.842,99 1.467,100 0.154,101 22.382,102 115.093,103 15.829,104 1.513,105 4.985,106 1.306,107 0.231,108 215.133,109 8.404,110 978.895,111 1.622,112 2.688,113 0.292,114 4.567,115 102.039,116 417.941,117 11629.6,118 1.613,119 7169,120 5.278,121 19.484,122 0.172,123 3.797,124 7.867,125 572,126 2.673,127 16.355,128 3.228,129 1.266,131 7.977,132 2.514,133 2.514,134 8.921,135 4.023,136 1.213,137 1.213,138 4.554,139 5.8}
{0 CHEMBL2005528,1 0.468,2 1.008,3 106.618,4 2.18,5 0.995,6 2.188,7 1.225,8 26.267,9 0.538,10 0.705,11 2.431,12 0.343,13 0.195,14 2.532,15 0.893,16 0.969,17 1.193,18 4.191,19 4.314,20 -1.077,21 4.511,22 -0.103,23 4.164,24 13.255,25 -1.093,26 -1.093,27 3.532,28 14.497,29 -3.462,30 -3.462,31 -1.398,32 3.728,33 -0.057,34 21.943,35 -1.844,36 4.585,37 4.635,38 37.116,39 3.151,40 2,41 11.625,42 -1.366,43 -1.366,44 4.162,45 3.623,46 124.426,47 1.841,48 3.155,49 1.124,50 1.472,51 3.017,52 -0.342,53 3.1,54 3.548,55 3.689,56 224.41,57 4.344,58 0.153,59 3.102,60 1.802,61 33.487,62 -0.99,63 3.098,64 4.391,65 21.348,66 1.477,67 13.221,68 4.171,69 2.972,70 6.205,71 -3.222,72 -3.222,73 3.305,74 2.153,75 0.155,76 4.508,77 1.494,78 150.955,79 155.71,80 9.203,81 35,82 0.326,83 4.372,84 7.593,85 12.939,86 12.939,87 12.939,88 12.939,89 12.939,90 1.476,91 5.006,92 13.929,93 0.83,94 166.465,95 33,97 155.71,98 7.195,99 1.183,100 0.202,101 12.964,102 80.876,103 12.24,104 1.216,105 4.559,106 1.021,107 0.268,108 155.71,109 6.083,110 520.707,111 1.418,112 2.211,113 0.092,114 4.203,115 80.711,116 309.567,117 4928.69,118 1.482,119 3001,120 4.222,121 12.462,122 0.223,123 3.088,124 6.25,125 316,126 2.528,127 13.405,128 3.012,129 1.48,131 5.063,132 2.406,133 2.406,134 7.045,135 3.642,136 0.863,137 0.863,138 4.216,139 5.8}
{0 CHEMBL2005548,1 0.824,2 1.308,3 145.78,4 2.769,5 1.28,6 2.797,7 1.429,8 83.573,9 0.934,10 1.082,11 2.899,12 0.605,13 2.011,14 3.009,15 1.308,16 1.417,17 1.437,18 4.163,19 4.732,20 0.525,21 5.318,22 1.512,23 4.593,24 22.507,25 0.552,26 0.552,27 4.016,28 25.943,29 0.443,30 0.443,31 0.161,32 4.188,33 1.542,34 37.409,35 0.23,36 4.898,37 5.193,38 59.456,39 3.66,40 1,41 18.776,42 0.18,43 0.18,44 4.127,45 4.091,46 210.855,47 2.619,48 3.658,49 1.427,50 1.87,51 3.303,52 1.151,53 3.429,54 4.023,55 4.216,56 404.86,57 4.93,58 0.092,59 3.556,60 3.229,61 54.316,62 0.764,63 3.556,64 4.936,65 36.341,66 2.389,67 21.772,68 4.933,69 3.243,70 9.943,71 1.365,72 1.365,73 5.372,74 3.021,75 0.092,76 5.152,77 2.497,78 246.786,79 266.296,80 15.531,81 56,82 0.193,83 4.836,84 11.955,85 21.256,86 21.256,87 21.256,88 21.256,89 21.256,90 3.022,91 7.914,92 22.887,93 1.564,94 303.58,95 53,97 268.296,98 8.769,99 1.647,100 0.12,101 39.605,102 177.503,103 23.457,104 1.463,105 4.98,106 1.417,107 0.209,108 268.296,109 9.539,110 2077.49,111 1.805,112 3.019,113 0.429,114 4.762,115 161.71,116 565.763,117 32033.2,118 1.876,119 16105,120 6.931,121 16.284,122 0.129,123 4.348,124 10.686,125 975,126 3.444,127 23.913,128 3.532,129 2.568,131 7.535,132 3.046,133 3.046,134 12.232,135 4.151,136 1.662,137 1.662,138 5.014,139 5.8}
{0 CHEMBL2005631,1 0.881,2 1.383,3 142.349,4 2.864,5 1.364,6 2.883,7 1.416,8 75.094,9 0.949,10 1.13,11 3.08,12 0.631,13 1.535,14 3.167,15 1.258,16 1.211,17 1.455,18 4.131,19 4.678,20 0.262,21 5.153,22 1.23,23 4.533,24 21.896,25 0.287,26 0.287,27 4.009,28 30.328,29 0.406,30 0.406,31 0.256,32 4.179,33 1.491,34 36.614,35 0.316,36 4.898,37 5.075,38 58.492,39 3.665,40 1,41 18.456,42 0.277,43 0.277,44 4.121,45 4.065,46 210.368,47 2.792,48 3.643,49 1.433,50 1.691,51 3.32,52 1.206,53 3.425,54 4.052,55 4.193,56 378.9,57 4.855,58 0.091,59 3.356,60 3.017,61 52.822,62 0.78,63 3.345,64 5.005,65 35.321,66 2.269,67 21.831,68 4.914,69 3.263,70 9.634,71 0.67,72 0.67,73 5.933,74 2.833,75 0.095,76 5.032,77 2.465,78 257.262,79 274.913,80 15.367,81 55,82 0.2,83 4.75,84 12.309,85 21.386,86 21.386,87 21.386,88 21.386,89 21.386,90 2.786,91 7.74,92 22.887,93 1.689,94 296.423,95 52,97 276.913,98 8.671,99 1.424,100 0.122,101 35.563,102 170.226,103 22.028,104 1.536,105 4.906,106 1.324,107 0.209,108 276.913,109 9.282,110 1923.39,111 1.672,112 2.952,113 0.218,114 4.817,115 156,116 519.065,117 28900.1,118 1.701,119 14948,120 7.028,121 16.962,122 0.135,123 4.261,124 9.926,125 914,126 3.305,127 22.828,128 3.502,129 2.142,131 7.836,132 2.791,133 2.791,134 11.837,135 4.172,136 1.873,137 1.873,138 4.972,139 7.3}
{0 CHEMBL2005792,1 0.836,2 1.338,3 124.384,4 2.715,5 1.343,6 2.735,7 1.428,8 63.686,9 0.934,10 1.067,11 2.981,12 0.578,13 1.584,14 3.063,15 1.315,16 1.333,17 1.424,18 4.199,19 4.796,20 0.299,21 5.476,22 1.218,23 4.62,24 21.448,25 0.345,26 0.345,27 3.97,28 26.346,29 0.477,30 0.477,31 0.29,32 4.224,33 1.37,34 35.733,35 0.348,36 5.153,37 5.438,38 61.485,39 3.589,40 1,41 18.371,42 0.332,43 0.332,44 4.156,45 4.105,46 213.049,47 2.467,48 3.599,49 1.417,50 1.848,51 3.277,52 1.211,53 3.333,54 3.972,55 4.166,56 359.37,57 5.027,58 0.093,59 3.576,60 2.925,61 54.731,62 0.599,63 3.563,64 5.053,65 34.682,66 2.174,67 21.532,68 4.87,69 3.21,70 9.574,71 0.583,72 0.583,73 4.872,74 2.993,75 0.099,76 5.285,77 2.24,78 266.89,79 276.499,80 14.914,81 57,82 0.208,83 4.831,84 11.986,85 20.894,86 20.894,87 20.894,88 20.894,89 20.894,90 2.853,91 7.752,92 22.364,93 1.431,94 310.764,95 54,97 276.499,98 8.641,99 1.636,100 0.126,101 31.27,102 158.562,103 21.165,104 1.571,105 5.016,106 1.414,107 0.211,108 276.499,109 9.264,110 1647.61,111 1.784,112 2.768,113 0.425,114 4.837,115 147.58,116 536.444,117 22829.4,118 1.859,119 11525,120 6.833,121 20.222,122 0.14,123 4.041,124 10.676,125 713,126 3.29,127 22.01,128 3.473,129 1.559,131 7.32,132 2.755,133 2.755,134 11.428,135 4.124,136 1.526,137 1.526,138 4.92,139 5.8}
{0 CHEMBL2005828,1 0.821,2 1.218,3 118.978,4 2.715,5 1.224,6 2.735,7 1.352,8 63.281,9 0.886,10 0.886,11 2.854,12 0.427,13 1.297,14 2.925,15 1.107,16 1.181,17 1.36,18 4.127,19 4.51,20 -0.084,21 4.828,22 0.908,23 4.368,24 18.582,25 -0.086,26 -0.086,27 3.824,28 21.991,29 -0.754,30 -0.754,31 -0.301,32 4.029,33 1.042,34 30.506,35 -0.424,36 4.625,37 4.771,38 49.402,39 3.462,41 15.515,42 -0.327,43 -0.327,44 4.11,45 3.913,46 162.241,47 2.448,48 3.472,49 1.289,50 1.607,51 3.194,52 0.594,53 3.292,54 3.838,55 4.038,56 305.06,57 4.643,58 0.106,59 3.236,60 2.513,61 44.465,62 -0.076,63 3.196,64 4.815,65 29.697,66 2.097,67 18.56,68 4.694,69 3.119,70 8.208,71 -0.201,72 -0.201,73 4.163,74 2.4,75 0.108,76 4.849,77 2.031,78 191.46,79 207.46,80 13.097,81 47,82 0.229,83 4.559,84 10.757,85 18.309,86 18.309,87 18.309,88 18.309,89 18.309,90 2.365,91 6.686,92 20.285,93 1.422,94 240.215,95 44,97 215.46,98 8.167,99 1.344,100 0.141,101 26.623,102 136.301,103 17.218,104 1.452,105 4.728,106 1.181,107 0.222,108 213.46,109 8.009,110 1316.74,111 1.566,112 2.687,113 0.204,114 4.594,115 120.382,116 423.814,117 17509.3,118 1.645,119 10133,120 5.861,121 13.276,122 0.156,123 4.006,124 8.15,125 739,126 3.126,127 18.803,128 3.339,129 1.539,131 5.897,132 2.61,133 2.61,134 9.897,135 3.931,136 1.494,137 1.494,138 4.726,139 5.8}
{0 CHEMBL2005886,1 1.043,2 1.429,3 131.029,4 2.91,5 1.376,6 2.941,7 1.599,8 68.637,9 1.115,10 1.153,11 3.111,12 0.825,13 2.046,14 3.206,15 1.371,16 1.363,17 1.586,18 4.184,19 4.916,20 0.946,21 5.545,22 1.952,23 4.756,24 24.054,25 1,26 1,27 4.125,28 39.649,29 1.915,30 1.915,31 0.636,32 4.329,33 2,34 40.625,35 0.916,36 5.13,37 5.403,38 67.631,39 3.742,40 1,41 20.683,42 0.689,43 0.689,44 4.144,45 4.213,46 248.091,47 2.792,48 3.735,49 1.569,50 1.872,51 3.445,52 1.615,53 3.453,54 4.152,55 4.267,56 416.74,57 5.067,58 0.083,59 3.534,60 3.43,61 60.534,62 0.882,63 3.517,64 5.323,65 38.874,66 2.047,67 23.721,68 5.023,69 3.375,70 11.08,71 2.136,72 2.136,73 6.29,74 3.515,75 0.085,76 5.279,77 2.661,78 306.639,79 327.659,80 16.491,81 64,82 0.179,83 5.012,84 13.555,85 23.085,86 23.085,87 23.085,88 23.085,89 23.085,90 3.247,91 8.876,92 25.66,93 1.747,94 354.413,95 60,96 2.288,97 327.659,98 8.877,99 1.591,100 0.111,101 38.308,102 182.048,103 23.085,104 1.63,105 5.205,106 1.513,107 0.197,108 327.659,109 10.823,110 2147.57,111 1.866,112 3.01,113 0.41,114 5.094,115 168.974,116 579.258,117 32615.5,118 1.872,119 17419,120 7.361,121 22.949,122 0.122,123 4.467,124 10.826,125 969,126 3.15,127 23.656,128 3.561,129 2.234,130 1,131 8.799,132 2.831,133 2.831,134 12.618,135 4.304,136 1.842,137 1.842,138 5.056,139 7}
{0 CHEMBL2005899,1 0.804,2 1.308,4 2.57,5 1.239,6 2.618,7 1.239,9 0.886,10 0.934,11 2.854,12 0.68,13 0.427,14 2.925,15 1.107,16 1.181,17 1.308,18 4.035,19 4.557,20 -0.958,21 3.761,23 4.358,24 15.798,25 -1,26 -1,27 3.648,28 26.524,29 -2.582,30 -2.582,31 -1,32 3.975,33 0.338,34 28.233,35 -1.193,36 4.263,37 3.892,38 49.86,39 3.351,41 12.908,42 -1,43 -1,44 4.006,45 3.854,46 154.215,47 2.107,48 3.329,49 1.417,50 1.648,51 3.009,53 3.228,54 3.675,55 3.832,56 307.93,57 4.821,58 0.139,59 3.261,60 2,61 44.24,62 -0.807,63 3.24,64 4.966,65 26.95,66 1.636,67 14.543,68 4.376,69 2.874,70 7.312,71 -2.347,72 -2.347,73 3.914,74 2.589,75 0.143,76 5.085,77 1.984,78 179.686,79 189.421,80 10.642,81 45,82 0.3,83 4.6,84 8.125,85 14.353,86 14.353,87 14.353,88 14.353,89 14.353,90 2,91 5.853,92 14.334,93 1.093,94 240.215,95 44,96 1.284,97 189.421,98 7.791,99 1.346,100 0.183,101 16.284,102 105.358,103 17.202,104 1.606,105 4.782,106 1.417,107 0.264,108 189.421,109 6.902,110 791.186,111 1.671,112 2.518,113 0.218,114 4.748,115 95.287,116 464.372,117 8912.34,118 1.647,119 4398,120 4.944,121 16.971,122 0.197,123 3.231,124 9.55,125 364,126 2.686,127 17.361,128 3.189,129 1.374,130 1,131 5.866,132 2.787,133 2.787,134 8.55,135 3.863,136 1.155,137 1.155,138 4.497,139 5.8}
{0 CHEMBL2005936,1 1.012,2 1.42,3 135.952,4 2.884,5 1.448,6 2.882,7 1.648,8 166.379,9 1.079,10 1.212,11 3.042,12 0.741,13 2.297,14 3.109,15 1.333,16 1.302,17 1.623,18 4.185,19 4.809,20 1,21 5.617,22 2,23 4.645,24 23.402,25 1,26 1,27 4.075,28 27.91,29 1.838,30 1.838,31 0.793,32 4.276,33 2.168,34 39.341,35 1.106,36 5.17,37 5.493,38 63.936,39 3.734,40 1,41 19.725,42 0.806,43 0.806,44 4.144,45 4.149,46 203.734,47 2.543,48 3.712,49 1.56,50 1.893,51 3.453,52 1.791,53 3.659,54 4.119,55 4.243,56 382.53,57 4.922,58 0.086,59 3.563,60 3.247,61 56.891,62 0.834,63 3.548,64 5.098,65 37.584,66 2.332,67 23.195,68 4.999,69 3.379,70 10.925,71 2.047,72 2.047,73 5.526,74 3.588,75 0.088,76 5.147,77 2.415,78 251.349,79 289.455,80 16.225,81 61,82 0.187,83 4.879,84 13.925,85 23.007,86 23.007,87 23.007,88 23.007,89 23.007,90 3.247,91 8.918,92 25.542,93 1.538,94 332.475,95 57,97 305.72,98 8.814,99 1.621,100 0.114,101 35.796,102 173.368,103 21.111,104 1.575,105 5.089,106 1.382,107 0.198,108 303.72,109 10.679,110 1945.56,111 1.931,112 2.909,113 0.429,114 4.892,115 158.465,116 536.437,117 28469.8,118 1.885,119 15113,120 7.333,121 19.393,122 0.125,123 4.392,124 10.55,125 879,126 3.336,127 22.623,128 3.532,129 1.612,131 8.133,132 2.561,133 2.561,134 12.157,135 4.201,136 1.552,137 1.552,138 5.011,139 5.8}
{0 CHEMBL2006188,1 0.999,2 1.45,4 2.893,5 1.442,6 2.884,7 1.491,9 1.073,10 1.112,11 3.143,12 0.822,13 1.583,14 3.189,15 1.315,16 1.26,17 1.515,18 4.06,19 4.818,20 0.366,21 4.7,22 1.293,23 4.634,24 21.185,25 0.427,26 0.427,27 3.96,28 34.792,29 -0.185,30 -0.185,31 -0.089,32 4.261,33 1.16,34 38.069,35 -0.105,36 4.585,37 4.673,38 65.394,39 3.659,41 18.365,42 -0.093,43 -0.093,44 4.032,45 4.128,46 206.319,47 2.377,48 3.626,49 1.563,50 1.819,51 3.301,52 0.873,53 3.493,54 4.021,55 4.124,56 389.16,57 4.946,58 0.095,59 3.444,60 2.702,61 57.665,62 0.323,63 3.453,64 5.253,65 35.837,66 1.977,67 20.939,68 4.843,69 3.236,70 9.928,71 0.621,72 0.621,73 4.916,74 3.376,75 0.096,76 5.167,77 2.235,78 277.724,79 312.253,80 14.618,81 60,82 0.203,83 4.878,84 12.581,85 20.568,86 20.568,87 20.568,88 20.568,89 20.568,90 2.623,91 8.091,92 21.266,93 1.36,94 339.763,95 58,97 314.253,98 8.53,99 1.541,100 0.127,101 32.667,102 154.704,103 21.817,104 1.718,105 5.099,106 1.435,107 0.217,108 314.253,109 9.642,110 1599.73,111 1.816,112 2.974,113 0.28,114 5.013,115 143.207,116 559.638,117 22723.5,118 1.812,119 11366,120 6.944,121 22.435,122 0.138,123 4.118,124 10.617,125 731,126 3.008,127 21.347,128 3.44,129 1.62,131 8.418,132 2.707,133 2.707,134 11.069,135 4.171,136 1.405,137 1.405,138 4.874,139 5.8}
{0 CHEMBL2006237,1 1.054,2 1.429,3 122.605,4 2.91,5 1.437,6 2.941,7 1.492,8 62.124,9 1.126,10 1.153,11 3.111,12 0.825,13 1.574,14 3.206,15 1.419,16 1.341,17 1.504,18 4.172,19 4.887,20 0.41,21 4.949,22 1.386,23 4.677,24 20.799,25 0.433,26 0.433,27 3.951,28 32.917,29 -0.244,30 -0.244,31 -0.105,32 4.271,33 0.989,34 36.108,35 -0.115,36 4.71,37 4.852,38 63.85,39 3.598,40 1,41 17.789,42 -0.111,43 -0.111,44 4.132,45 4.123,46 197.196,47 2.413,48 3.582,49 1.513,50 1.793,51 3.336,52 0.843,53 3.452,54 3.994,55 4.107,56 354.39,57 5,58 0.097,59 3.382,60 2.94,61 55.876,62 0.1,63 3.388,64 5.221,65 34.133,66 2.097,67 20.163,68 4.8,69 3.264,70 9.849,71 1.128,72 1.128,73 5.323,74 3.365,75 0.099,76 5.273,77 2.339,78 247.928,79 282.457,80 14.097,81 59,82 0.209,83 4.926,84 11.766,85 19.723,86 19.723,87 19.723,88 19.723,89 19.723,90 2.548,91 7.979,92 21.671,93 1.397,94 325.212,95 56,96 4.88,97 292.457,98 8.377,99 1.486,100 0.13,101 32.961,102 150.728,103 19.832,104 1.548,105 5.167,106 1.483,107 0.215,108 292.457,109 9.638,110 1571.25,111 1.819,112 2.866,113 0.461,114 4.928,115 136.881,116 503.407,117 22424.4,118 1.775,119 12401,120 6.361,121 23.677,122 0.144,123 4.215,124 10.05,125 843,126 3.14,127 20.217,128 3.407,129 1.634,130 2,131 7.129,132 2.619,133 2.619,134 10.723,135 4.138,136 1.438,137 1.438,138 4.828,139 5.8}
{0 CHEMBL2006263,1 0.821,2 1.129,4 2.715,5 1.105,6 2.735,7 1.217,9 0.886,10 0.9,11 2.854,12 0.563,13 0.879,14 2.925,15 1.107,16 1.159,17 1.22,18 4.131,19 4.414,20 -0.976,21 4.454,23 4.272,24 15.874,25 -1,26 -1,27 3.696,28 22.805,29 -2.89,30 -2.89,31 -0.988,32 3.881,33 0.5,34 27.148,35 -1.381,36 4.369,37 4.533,38 43.823,39 3.387,41 12.467,42 -1,43 -1,44 4.121,45 3.777,46 134.563,47 2.006,48 3.345,49 1.181,50 1.61,51 3.06,53 3.13,54 3.741,55 3.862,56 274.55,57 4.552,58 0.124,59 3.389,60 2.297,61 39.44,62 -0.879,63 3.426,64 4.682,65 25.863,66 1.997,67 15.163,68 4.418,69 2.959,70 7.032,71 -2.699,72 -2.699,73 4.915,74 2.11,75 0.136,76 4.746,77 2,78 152.215,79 169.866,80 10.848,81 41,82 0.292,83 4.48,84 8.429,85 14.85,86 14.85,87 14.85,88 14.85,89 14.85,90 2,91 5.569,92 16.008,93 1.003,94 206.131,95 39,97 176.621,98 7.732,99 1.425,100 0.173,101 17.467,102 107.332,103 15.566,104 1.286,105 4.644,106 1.161,107 0.25,108 174.621,109 6.652,110 859.408,111 1.547,112 2.687,113 0.153,114 4.465,115 98.042,116 386.868,117 9634.06,118 1.569,119 5489,120 4.847,121 14.486,122 0.194,123 3.434,124 7.567,125 488,126 3.04,127 16.613,128 3.188,129 1.223,131 6.067,132 2.519,133 2.519,134 8.704,135 3.858,136 1.032,137 1.032,138 4.496,139 5.8}
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{0 CHEMBL2006778,1 0.843,2 1.226,3 197.854,4 2.764,5 1.22,6 2.793,7 1.363,8 108.546,9 0.915,10 0.962,11 2.96,12 0.667,13 1.311,14 3.029,15 1.206,16 1.173,17 1.399,18 4.199,19 4.528,20 -0.147,21 5.361,22 0.828,23 4.382,24 18.697,25 -0.152,26 -0.152,27 3.889,28 24.761,29 -0.703,30 -0.703,31 -0.243,32 4.018,33 1.122,34 31.392,35 -0.35,36 5.017,37 5.293,38 49.369,39 3.536,40 3,41 15.511,42 -0.263,43 -0.263,44 4.177,45 3.905,46 183.544,47 2.641,48 3.504,49 1.346,50 1.764,51 3.291,52 0.687,53 3.284,54 3.938,55 4.033,56 312.49,57 4.669,58 0.107,59 3.35,60 2.686,61 44.509,62 0.06,63 3.343,64 4.774,65 30.058,66 2.119,67 18.518,68 4.668,69 3.217,70 8.294,71 -0.314,72 -0.314,73 5.468,74 2.444,75 0.11,76 4.847,77 2.079,78 221.95,79 228.705,80 12.974,81 47,82 0.233,83 4.566,84 10.335,85 18.11,86 18.11,87 18.11,88 18.11,89 18.11,90 2.604,91 6.62,92 19.709,93 1.585,94 240.215,95 44,97 228.705,98 8.214,99 1.513,100 0.142,101 25.029,102 132.271,103 17.835,104 1.546,105 4.72,106 1.256,107 0.225,108 228.705,109 7.955,110 1226.03,111 1.723,112 2.795,113 0.171,114 4.588,115 128.382,116 426.688,117 15220.1,118 1.777,119 8326,120 5.861,121 14.906,122 0.158,123 3.772,124 8.593,125 614,126 3.163,127 19.129,128 3.341,129 1.768,131 6.842,132 2.588,133 2.588,134 9.979,135 4.047,136 1.688,137 1.688,138 4.721,139 5.9}
{0 CHEMBL2006785,1 0.773,2 0.999,3 91.6,4 2.678,5 0.994,6 2.675,7 1.062,8 48.361,9 0.818,10 0.845,11 2.854,12 0.218,13 0.627,14 2.91,15 0.94,16 0.817,17 1.107,18 4.099,19 4.161,20 -0.596,21 4.5,22 0.083,23 4.07,24 15.697,25 -0.813,26 -0.813,27 3.716,28 18.558,29 -2.669,30 -2.669,31 -0.93,32 3.68,33 0.5,34 26.636,35 -1.493,36 4.5,37 4.533,38 36.09,39 3.393,40 2,41 13.086,42 -1,43 -1,44 4.099,45 3.613,46 126.691,47 2,48 3.336,49 1.112,50 1.476,51 2.941,53 3.027,54 3.8,55 3.863,56 286.2,57 4.337,58 0.123,59 3.19,60 2.122,61 33.673,62 -0.282,63 3.186,64 4.322,65 25.234,66 1.723,67 15.711,68 4.428,69 2.934,70 6.789,71 -2.164,72 -2.164,73 5.263,74 1.892,75 0.132,76 4.486,77 1.929,78 140.2,79 153.71,80 11.007,81 35,82 0.279,83 4.293,84 8.723,85 15.301,86 15.301,87 15.301,88 15.301,89 15.301,90 2,91 5.331,92 16.126,93 1,94 166.465,95 33,97 153.71,98 7.765,99 1.245,100 0.169,101 15.928,102 105.85,103 16.104,104 1.181,105 4.397,106 0.958,107 0.249,108 153.71,109 6.439,110 817.882,111 1.467,112 2.799,114 4.169,115 100.042,116 397.525,117 9077.18,118 1.454,119 5056,120 5.083,121 5.05,122 0.19,123 3.383,124 6.569,125 429,126 2.908,127 16.56,128 3.189,129 1.883,131 4.016,132 2.572,133 2.572,134 8.456,135 3.9,136 1,137 1,138 4.496,139 5.8}
{0 CHEMBL2006933,1 0.228,2 0.761,4 2.154,5 0.736,6 2.137,7 1.025,9 0.293,10 0.468,11 2.348,12 0.178,13 -0.038,14 2.416,15 0.591,16 0.62,17 1.032,18 4.173,19 3.992,20 -1.276,21 4.19,22 -0.445,23 3.871,24 11.899,25 -1.38,26 -1.38,27 3.433,28 13.942,29 -4.52,30 -4.52,31 -1.435,32 3.513,33 -0.311,34 20.159,35 -2.177,36 4.431,37 4.477,38 29.787,39 3.129,41 9.919,42 -1.618,43 -1.618,44 4.153,45 3.429,46 91.853,47 1.444,48 3.076,49 0.928,50 1.396,51 2.899,52 -0.748,53 2.904,54 3.502,55 3.59,56 194.5,57 4.106,58 0.167,59 2.995,60 1.358,61 27.142,62 -1.423,63 3.052,64 4.28,65 19.052,66 1.403,67 12.207,68 4.023,69 2.841,70 5.253,71 -3.963,72 -3.963,73 3.55,74 1.46,75 0.17,76 4.26,77 0.791,78 112.117,79 121.627,80 8.309,81 29,82 0.36,83 4.033,84 6.822,85 11.784,86 11.784,87 11.784,88 11.784,89 11.784,90 1.259,91 4.132,92 12.83,93 0.501,94 128.382,95 27,97 123.627,98 6.889,99 1.089,100 0.222,101 9.107,102 68.044,103 10.513,104 1.095,105 4.148,106 0.8,107 0.279,108 123.627,109 4.97,110 380.073,111 1.43,112 2.24,114 4.061,115 69.487,116 288.589,117 3265.33,118 1.359,119 2161,120 3.806,121 10.602,122 0.248,123 2.888,124 5.267,125 248,126 2.435,127 11.828,128 2.911,129 1.139,131 4.366,132 2.123,133 2.123,134 6.247,135 3.592,136 0.618,137 0.618,138 4.06,139 5.8}
{0 CHEMBL2007002,1 0.821,2 1.127,3 107.846,4 2.715,5 1.132,6 2.735,7 1.375,8 60.71,9 0.886,10 0.944,11 2.854,12 0.484,13 1.179,14 2.925,15 1.107,16 1.14,17 1.342,18 4.169,19 4.488,20 -0.101,21 5.142,22 0.826,23 4.364,24 18.62,25 -0.11,26 -0.11,27 3.845,28 21.206,29 -0.524,30 -0.524,31 -0.219,32 4.01,33 1.152,34 30.71,35 -0.293,36 4.771,37 5.037,38 49.03,39 3.487,40 1,41 15.838,42 -0.224,43 -0.224,44 4.137,45 3.91,46 153.353,47 2.45,48 3.489,49 1.254,50 1.655,51 3.246,52 0.764,53 3.261,54 3.856,55 4.038,56 309.15,57 4.633,58 0.105,59 3.297,60 2.712,61 44.473,62 0.279,63 3.271,64 4.797,65 29.896,66 2.172,67 18.83,68 4.694,69 3.176,70 8.256,71 -0.218,72 -0.218,73 4.323,74 2.4,75 0.106,76 4.817,77 2.334,78 186.651,79 222.705,80 13.152,81 47,82 0.224,83 4.575,84 10.857,85 18.524,86 18.524,87 18.524,88 18.524,89 18.524,90 2.592,91 6.715,92 20.285,93 1.412,94 240.215,95 44,97 227.46,98 8.207,99 1.39,100 0.139,101 25.306,102 133.595,103 17.28,104 1.51,105 4.727,106 1.181,107 0.222,108 227.46,109 8.066,110 1251.51,111 1.569,112 2.687,113 0.218,114 4.597,115 124.382,116 436.632,117 15937.9,118 1.709,119 8985,120 5.972,121 13.001,122 0.154,123 3.899,124 8.15,125 631,126 3.186,127 18.803,128 3.34,129 1.53,131 6.095,132 2.625,133 2.625,134 9.935,135 3.955,136 1.488,137 1.488,138 4.725,139 5.8}
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{0 CHEMBL2007064,1 0.746,2 1.197,3 92.952,4 2.629,5 1.215,6 2.641,7 1.272,8 110.746,9 0.83,10 0.858,11 2.844,12 0.614,13 0.55,14 2.931,15 1.103,16 1.09,17 1.29,18 4.114,19 4.47,20 -0.832,21 4.564,22 0.144,23 4.315,24 15.983,25 -0.843,26 -0.843,27 3.73,28 23.778,29 -2.127,30 -2.127,31 -0.949,32 3.922,33 0.474,34 27.466,35 -1.185,36 4.489,37 4.564,38 45.946,39 3.375,40 2,41 13.215,42 -1,43 -1,44 4.081,45 3.811,46 156.831,47 2.359,48 3.357,49 1.254,50 1.646,51 3.109,52 0.017,53 3.202,54 3.771,55 3.863,56 288.33,57 4.63,58 0.127,59 3.297,60 2.16,61 41.254,62 -0.611,63 3.282,64 4.887,65 26.402,66 1.963,67 15.232,68 4.428,69 3.04,70 7.417,71 -2,72 -2,73 4.219,74 2.425,75 0.129,76 4.833,77 1.909,78 186.15,79 204.15,80 10.969,81 43,82 0.27,83 4.528,84 8.785,85 15.137,86 15.137,87 15.137,88 15.137,89 15.137,90 2,91 5.958,92 16.126,93 1.358,94 219.66,95 41,97 206.15,98 7.747,99 1.366,100 0.168,101 17.947,102 106.838,103 15.566,104 1.544,105 4.703,106 1.162,107 0.249,108 206.15,109 7.167,110 844.44,111 1.669,112 2.624,113 0.18,114 4.645,115 104.042,116 401.064,117 9467.38,118 1.65,119 5259,120 5,121 14.557,122 0.183,123 3.44,124 7.95,125 453,126 2.975,127 16.56,128 3.189,129 1.506,131 6.426,132 2.274,133 2.274,134 8.504,135 3.878,136 1.354,137 1.354,138 4.493,139 6.1}
{0 CHEMBL2007151,1 1.137,2 1.616,3 146.108,4 2.931,5 1.592,6 2.941,7 1.746,8 175.031,9 1.186,10 1.368,11 3.111,12 1.046,13 2.258,14 3.206,15 1.429,16 1.513,17 1.747,18 4.217,19 5.126,20 1,21 5.817,22 2,23 4.937,24 26.659,25 1,26 1,27 4.275,28 49.328,29 2.136,30 2.136,31 0.923,32 4.484,33 2,34 46.904,35 1,36 5.347,37 5.677,38 79.929,39 3.908,40 1,41 22.389,42 0.962,43 0.962,44 4.178,45 4.353,46 245.332,47 2.672,48 3.868,49 1.749,50 1.894,51 3.495,52 1.924,53 3.69,54 4.342,55 4.335,56 447.19,57 5.313,58 0.081,59 3.721,60 3.414,61 70.09,62 1,63 3.716,64 5.628,65 43.724,66 2.445,67 25.532,68 5.125,69 3.419,70 13.181,71 2.275,72 2.275,73 8.117,74 4.646,75 0.084,76 5.556,77 2.656,78 324.328,79 365.877,80 17.687,81 76,82 0.177,83 5.23,84 14.856,85 25.051,86 25.051,87 25.051,88 25.051,89 25.051,90 3.294,91 10.63,92 28.433,93 1.651,94 436.632,95 71,96 2.712,97 379.877,98 9.044,99 1.692,100 0.108,101 45.046,102 195.33,103 23.512,104 1.813,105 5.464,106 1.643,107 0.188,108 379.877,109 12.881,110 2432,111 1.86,112 2.965,113 0.825,114 5.38,115 174.117,116 621.852,117 37959,118 1.908,119 20817,120 7.833,121 30.782,122 0.118,123 4.681,124 12.8,125 1087,126 3.493,127 24.485,128 3.616,129 1.872,130 1,131 11.595,132 2.736,133 2.736,134 13.361,135 4.507,136 1.713,137 1.713,138 5.132,139 5.8}
{0 CHEMBL2007296,1 0.821,2 1.288,4 2.715,5 1.26,6 2.735,7 1.332,9 0.886,10 0.964,11 2.854,12 0.815,13 1.044,14 2.925,15 1.107,16 1.181,17 1.315,18 4.044,19 4.673,20 -0.318,21 4.382,22 0.657,23 4.503,24 19.168,25 -0.325,26 -0.325,27 3.866,28 27.069,29 -1.161,30 -1.161,31 -0.53,32 4.113,33 0.842,34 34.296,35 -0.692,36 4.357,37 4.382,38 56.983,39 3.58,41 16.288,42 -0.532,43 -0.532,44 4.017,45 3.996,46 166.246,47 2.22,48 3.539,49 1.342,50 1.828,51 3.193,52 0.492,53 3.467,54 3.93,55 4.024,56 349.86,57 4.769,58 0.101,59 3.412,60 2.475,61 50.578,62 -0.278,63 3.426,64 5.006,65 32.267,66 1.859,67 18.739,68 4.698,69 3.155,70 9.129,71 -0.783,72 -0.783,73 4.339,74 3.237,75 0.102,76 4.98,77 2.066,78 220.565,79 255.784,80 13.169,81 53,82 0.213,83 4.75,84 11.341,85 18.491,86 18.491,87 18.491,88 18.491,89 18.491,90 2.31,91 7.437,92 19.474,93 1.212,94 289.294,95 51,97 259.784,98 8.177,99 1.53,100 0.136,101 29.235,102 136.738,103 18.97,104 1.709,105 4.959,106 1.26,107 0.227,108 259.784,109 8.85,110 1331.12,111 1.837,112 2.687,113 0.218,114 4.777,115 120.382,116 502.001,117 17857.5,118 1.798,119 9579,120 6.167,121 19.131,122 0.148,123 3.998,124 9.617,125 738,126 2.88,127 19.062,128 3.339,129 1.42,131 7.859,132 2.653,133 2.653,134 9.968,135 4.049,136 1.237,137 1.237,138 4.723,139 5.8}
{0 CHEMBL2007592,1 0.79,2 1.107,3 162.162,4 2.618,5 1.066,6 2.616,7 1.208,8 57.413,9 0.829,10 0.886,11 2.762,12 0.548,13 0.754,14 2.825,15 1.04,16 0.891,17 1.239,18 4.146,19 4.455,20 -0.65,21 5.606,22 0.325,23 4.315,24 16.609,25 -0.665,26 -0.665,27 3.806,28 16.466,29 -2.062,30 -2.062,31 -0.686,32 3.871,33 0.5,34 26.932,35 -0.908,36 5.209,37 5.501,38 41.199,39 3.424,40 1,41 14.151,42 -0.756,43 -0.756,44 4.113,45 3.768,46 139.53,47 2.329,48 3.388,49 1.211,50 1.415,51 3.142,52 0.171,53 3.16,54 3.87,55 3.909,56 258.34,57 4.494,58 0.119,59 3.239,60 2.526,61 37.229,62 -0.612,63 3.281,64 4.502,65 25.622,66 1.945,67 16.439,68 4.481,69 3.059,70 7.789,71 -1.54,72 -1.54,73 5.654,74 2.464,75 0.125,76 4.682,77 2.012,78 156.385,79 169.995,80 11.31,81 41,82 0.262,83 4.542,84 9.406,85 16.085,86 16.085,87 16.085,88 16.085,89 16.085,90 2.4,91 6.23,92 18.898,93 1.319,94 192.75,95 37,97 176.75,98 7.765,99 1.172,100 0.16,101 16.628,102 104.395,103 13.44,104 1.3,105 4.732,106 1.181,107 0.23,108 176.75,109 7.598,110 797.609,111 1.427,112 2.663,113 0.03,114 4.307,115 100.042,116 340.979,117 8525.64,118 1.441,119 5682,120 4.861,121 12.852,122 0.175,123 3.546,124 6.85,125 444,126 3.036,127 15.389,128 3.191,129 1.407,131 5.988,132 2.632,133 2.632,134 8.531,135 3.958,136 1.341,137 1.341,138 4.495,139 5.8}
{0 CHEMBL2017550,1 0.52,2 1.002,3 122.853,4 2.116,5 0.965,6 2.079,7 1.056,8 62.9,9 0.61,10 0.743,11 2.421,12 0.188,13 0.567,14 2.522,15 0.925,16 0.869,17 1.077,18 4.213,19 4.109,20 -0.906,21 4.796,22 0.056,23 3.988,24 13.2,25 -0.924,26 -0.924,27 3.528,28 10.162,29 -3.377,30 -3.377,31 -1.194,32 3.655,33 0.133,34 20.762,35 -1.767,36 4.635,37 4.754,38 32.448,39 3.132,40 2,41 10.915,42 -1.28,43 -1.28,44 4.171,45 3.546,46 97.578,47 1.978,48 3.147,49 1.098,50 1.396,51 2.946,52 -0.33,53 2.927,54 3.523,55 3.714,56 189.39,57 4.154,58 0.141,59 3.054,60 2,61 29.385,62 -1.158,63 3.023,64 4.161,65 20.381,66 1.517,67 13.385,68 4.203,69 2.886,70 5.856,71 -2.653,72 -2.653,73 3.165,74 1.632,75 0.145,76 4.37,77 1.463,78 119.23,79 138.881,80 9.31,81 32,82 0.306,83 4.177,84 7.675,85 13.171,86 13.171,87 13.171,88 13.171,89 13.171,90 2,91 4.761,92 15.315,93 0.975,94 140.881,95 29,97 140.881,98 7.19,99 1.027,100 0.189,101 11.169,102 80.869,103 10.584,104 1.118,105 4.353,106 1.037,107 0.256,108 140.881,109 5.77,110 519.395,111 1.275,112 2.259,114 3.935,115 78.711,116 272.402,117 4903.5,118 1.442,119 3442,120 4.028,121 6.903,122 0.211,123 3.226,124 5.183,125 333,126 2.529,127 12.82,128 3.012,129 1.02,131 3.583,132 2.343,133 2.343,134 6.959,135 3.532,136 1.016,137 1.016,138 4.223,139 6.699}
{0 CHEMBL2017551,1 0.879,2 1.392,3 102.974,4 2.767,5 1.441,6 2.765,7 1.584,8 128.408,9 0.923,10 1.075,11 2.916,12 0.805,13 1.031,14 2.975,15 1.186,16 1.157,17 1.589,18 4.179,19 4.687,20 -0.211,21 4.913,22 0.675,23 4.492,24 17.914,25 -0.235,26 -0.235,27 3.738,28 28.11,29 -0.916,30 -0.916,31 -0.401,32 4.102,33 0.895,34 29.972,35 -0.533,36 4.736,37 4.89,38 54.07,39 3.385,40 2,41 15.845,42 -0.426,43 -0.426,44 4.136,45 3.966,46 184.198,47 2.132,48 3.403,49 1.462,50 1.729,51 3.357,52 0.58,53 3.306,54 3.732,55 3.981,56 304.05,57 4.681,58 0.108,59 3.298,60 2.6,61 47.847,62 -0.09,63 3.289,64 5.008,65 29.156,66 1.76,67 18.346,68 4.615,69 3.291,70 8.304,71 -0.479,72 -0.479,73 4.004,74 3.148,75 0.113,76 4.878,77 2.03,78 216.536,79 226.801,80 12.566,81 49,82 0.235,83 4.663,84 10.345,85 17.696,86 17.696,87 17.696,88 17.696,89 17.696,90 2.368,91 6.757,92 18.205,93 1.093,94 261.066,95 47,96 1.652,97 226.801,98 8.098,99 1.387,100 0.147,101 24.414,102 127.098,103 18.516,104 1.684,105 4.881,106 1.253,107 0.234,108 226.801,109 8.106,110 1150.94,111 1.725,112 2.808,113 0.176,114 4.769,115 118.211,116 445.066,117 14284,118 1.701,119 7352,120 5.972,121 18.771,122 0.164,123 3.7,124 9.326,125 579,126 2.814,127 18.681,128 3.304,129 1.522,130 1,131 5.708,132 2.716,133 2.716,134 9.627,135 3.8,136 1.242,137 1.242,138 4.668,139 6.824}
{0 CHEMBL2017552,1 0.804,2 1.3,3 73.502,4 2.399,5 1.237,6 2.489,7 1.239,8 121.287,9 0.923,10 0.934,11 2.505,12 0.494,13 0.305,14 2.545,15 1.117,16 1.105,17 1.308,18 4.219,19 4.358,20 -0.88,21 5.03,23 4.22,24 14.963,25 -1,26 -1,27 3.732,28 21.171,29 -3,30 -3,31 -1,32 3.827,33 0.086,34 25.688,35 -1.256,36 4.787,37 4.97,38 40.116,39 3.362,40 4,41 11.901,42 -1,43 -1,44 4.187,45 3.718,46 137.488,47 2.215,48 3.312,49 1.25,50 1.662,51 3.009,52 -0.135,53 3.106,54 3.791,55 3.796,56 234.14,57 4.514,58 0.135,59 3.154,60 2.212,61 36.011,62 -1,63 3.166,64 4.64,65 24.127,66 1.588,67 14.298,68 4.308,69 2.905,70 6.813,71 -2.987,72 -2.987,73 4.679,74 2.053,75 0.139,76 4.752,77 1.745,78 156.998,79 168.608,80 10.021,81 39,82 0.297,83 4.432,84 7.816,85 13.936,86 13.936,87 13.936,88 13.936,89 13.936,90 2,91 5.38,92 16.008,93 1.184,94 186.117,95 36,97 168.608,98 7.474,99 1.474,100 0.179,101 14.558,102 93.468,103 13.044,104 1.417,105 4.591,106 1.152,107 0.25,108 168.608,109 6.484,110 666.27,111 1.627,112 2.499,113 0.147,114 4.393,115 90.239,116 354.313,117 6846.31,118 1.676,119 4427,120 4.278,121 13.63,122 0.194,123 3.328,124 7.067,125 374,126 2.604,127 14.613,128 3.105,129 1.266,131 6.01,132 2.858,133 2.858,134 7.751,135 3.832,136 1.253,137 1.253,138 4.367,139 8.721}
{0 CHEMBL2017553,1 0.911,2 1.3,3 84.578,4 2.474,5 1.237,6 2.518,7 1.351,8 140.521,9 1.001,10 1.012,11 2.736,12 0.686,13 0.768,14 2.809,15 1.235,16 1.106,17 1.351,18 4.221,19 4.529,20 -0.631,21 5.165,22 0.317,23 4.374,24 16.596,25 -0.655,26 -0.655,27 3.828,28 29.737,29 -2.607,30 -2.607,31 -0.868,32 3.966,33 0.563,34 29.211,35 -1.222,36 4.868,37 5.075,38 46.946,39 3.478,40 4,41 13.746,42 -0.897,43 -0.897,44 4.189,45 3.849,46 158.139,47 2.226,48 3.418,49 1.268,50 1.663,51 3.211,52 0.08,53 3.306,54 3.904,55 3.882,56 268.74,57 4.707,58 0.128,59 3.22,60 2.378,61 41.778,62 -0.818,63 3.234,64 5.008,65 27.181,66 1.676,67 16.128,68 4.445,69 3.13,70 7.934,71 -1.92,72 -1.92,73 5.68,74 2.803,75 0.132,76 4.915,77 1.746,78 187.358,79 198.968,80 11.142,81 45,82 0.287,83 4.613,84 8.727,85 15.781,86 15.781,87 15.781,88 15.781,89 15.781,90 2.321,91 6.328,92 17.394,93 1.187,94 226.477,95 42,97 198.968,98 7.74,99 1.476,100 0.169,101 17.822,102 106.244,103 14.912,104 1.627,105 4.804,106 1.239,107 0.24,108 198.968,109 7.616,110 832.295,111 1.721,112 2.717,113 0.207,114 4.738,115 100.042,116 406.466,117 9194.95,118 1.676,119 5597,120 5.028,121 17.351,122 0.179,123 3.483,124 8.067,125 442,126 2.687,127 16.027,128 3.189,129 1.272,131 7.332,132 2.871,133 2.871,134 8.523,135 3.974,136 1.264,137 1.264,138 4.497,139 8.62}
{0 CHEMBL2017554,1 1.232,2 1.617,3 128.963,4 2.924,5 1.584,6 2.941,7 1.602,8 210.873,9 1.242,10 1.351,11 3.127,12 0.916,13 1.957,14 3.208,15 1.429,16 1.513,17 1.638,18 4.224,19 4.987,20 0.627,21 5.67,22 1.618,23 4.814,24 23.338,25 0.664,26 0.664,27 4.131,28 46.368,29 0.828,30 0.828,31 0.618,32 4.354,33 1.661,34 40.932,35 0.618,36 5.198,37 5.517,38 69.939,39 3.767,40 4,41 20.098,42 0.618,43 0.618,44 4.195,45 4.236,46 233.933,47 2.434,48 3.726,49 1.645,50 1.811,51 3.407,52 1.614,53 3.442,54 4.188,55 4.21,56 388.76,57 5.125,58 0.093,59 3.596,60 3.292,61 61.952,62 0.618,63 3.584,64 5.464,65 38.265,66 2.236,67 22.882,68 4.937,69 3.306,70 11.265,71 1.766,72 1.766,73 7.526,74 4.096,75 0.096,76 5.342,77 2.271,78 295.876,79 312.141,80 15.609,81 66,82 0.207,83 5.05,84 12.722,85 22.126,86 22.126,87 22.126,88 22.126,89 22.126,90 3.247,91 8.97,92 24.444,93 1.361,94 369.16,95 62,96 2.361,97 317.65,98 8.728,99 1.598,100 0.123,101 34.27,102 166.437,103 22.047,104 1.721,105 5.255,106 1.626,107 0.202,108 317.65,109 10.922,110 1787.68,111 1.725,112 3.04,113 0.686,114 5.201,115 152,116 576.934,117 25930.3,118 1.817,119 14169,120 7.056,121 29.004,122 0.131,123 4.297,124 11.517,125 777,126 3.312,127 22.131,128 3.503,129 1.766,130 1,131 10.442,132 2.974,133 2.974,134 11.914,135 4.305,136 1.551,137 1.551,138 4.967,139 7.963}
{0 CHEMBL2017555,1 1.099,2 1.522,3 120.334,4 2.904,5 1.501,6 2.901,7 1.584,8 187.954,9 1.168,10 1.261,11 3.122,12 0.869,13 1.679,14 3.205,15 1.335,16 1.245,17 1.638,18 4.241,19 4.805,20 0.618,21 5.883,22 1.618,23 4.654,24 22.282,25 0.618,26 0.618,27 4.107,28 39.12,29 0.712,30 0.712,31 0.383,32 4.24,33 1.627,34 38.949,35 0.512,36 5.412,37 5.771,38 62.401,39 3.751,40 4,41 18.711,42 0.43,43 0.43,44 4.213,45 4.132,46 214.577,47 2.5,48 3.701,49 1.625,50 1.759,51 3.399,52 1.327,53 3.348,54 4.171,55 4.178,56 367.45,57 5.004,58 0.096,59 3.589,60 3.371,61 55.756,62 0.61,63 3.592,64 5.351,65 36.476,66 2.221,67 21.95,68 4.879,69 3.306,70 10.499,71 0.828,72 0.828,73 7.215,74 3.588,75 0.099,76 5.189,77 2.271,78 264.947,79 284.947,80 15.074,81 60,82 0.213,83 4.877,84 11.971,85 21.427,86 21.427,87 21.427,88 21.427,89 21.427,90 3.113,91 8.39,92 23.463,93 1.484,94 325.212,95 56,97 284.947,98 8.648,99 1.594,100 0.126,101 30.219,102 157.218,103 20.436,104 1.676,105 5.05,106 1.558,107 0.206,108 284.947,109 10.085,110 1605.64,111 1.725,112 3.04,113 0.486,114 5.11,115 145.58,116 539.019,117 21878.6,118 1.77,119 11754,120 6.861,121 22.653,122 0.137,123 4.053,124 10.983,125 668,126 3.275,127 21.587,128 3.473,129 1.55,131 9.598,132 3.004,133 3.004,134 11.473,135 4.29,136 1.526,137 1.526,138 4.92,139 8.155}
{0 CHEMBL2017556,1 0.946,2 1.341,3 99.136,4 2.617,5 1.347,6 2.589,7 1.507,8 164.548,9 1.009,10 1.058,11 2.883,12 0.811,13 1.168,14 2.962,15 1.235,16 1.234,17 1.474,18 4.224,19 4.632,20 0.103,21 5.394,22 1.065,23 4.479,24 18.236,25 0.108,26 0.108,27 3.91,28 31.727,29 -1.935,30 -1.935,31 -0.631,32 4.041,33 0.768,34 30.847,35 -0.887,36 5.03,37 5.278,38 51.041,39 3.527,40 5,41 15.453,42 -0.655,43 -0.655,44 4.194,45 3.929,46 175.86,47 2.242,48 3.49,49 1.288,50 1.705,51 3.324,52 0.317,53 3.306,54 3.963,55 3.994,56 298.18,57 4.806,58 0.115,59 3.28,60 3.01,61 45.687,62 0.184,63 3.277,64 5.069,65 29.474,66 1.984,67 17.914,68 4.603,69 3.256,70 8.519,71 0.147,72 0.147,73 6.21,74 2.94,75 0.118,76 5.008,77 2.14,78 206.014,79 217.624,80 12.447,81 48,82 0.257,83 4.691,84 9.566,85 17.436,86 17.436,87 17.436,88 17.436,89 17.436,90 2.43,91 6.797,92 18.898,93 1.192,94 247.133,95 45,97 217.624,98 8.09,99 1.545,100 0.152,101 22.822,102 126.276,103 17.625,104 1.648,105 4.864,106 1.259,107 0.23,108 217.624,109 8.241,110 1134.02,111 1.721,112 2.812,113 0.223,114 4.81,115 116.211,116 438.21,117 13801.4,118 1.724,119 7674,120 5.639,121 17.761,122 0.162,123 3.684,124 8.602,125 569,126 3.08,127 18.474,128 3.305,129 1.527,131 8.124,132 2.923,133 2.923,134 9.75,135 4.049,136 1.362,137 1.362,138 4.671,139 9.523}
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{0 CHEMBL204418,1 1.152,2 1.482,4 3.047,5 1.443,6 3.055,7 1.526,8 119.427,9 1.216,10 1.243,11 3.222,12 0.825,13 2.225,14 3.283,15 1.439,16 1.513,17 1.585,18 4.049,19 4.999,20 0.88,21 5.043,22 1.893,23 4.828,24 26.134,25 0.887,26 0.887,27 4.197,28 48.225,29 1.873,30 1.873,31 0.683,32 4.398,33 2,34 46.034,35 1,36 4.82,37 4.963,38 75.068,39 3.886,41 22.121,42 0.789,43 0.789,44 4.022,45 4.289,46 247.518,47 2.875,48 3.828,49 1.563,50 1.65,51 3.42,52 1.674,53 3.469,54 4.287,55 4.33,56 480.66,57 5.188,58 0.078,59 3.641,60 3.414,61 67.356,62 1.064,63 3.624,64 5.433,65 43.167,66 2.384,67 25.297,68 5.124,69 3.391,70 12,71 2.249,72 2.249,73 8.633,74 3.897,75 0.079,76 5.379,77 2.765,78 318.389,79 346.163,80 17.744,81 70,82 0.167,83 5.037,84 14.203,85 24.61,86 24.61,87 24.61,88 24.61,89 24.61,90 3.336,91 9.463,92 26.065,93 1.853,94 406.428,95 67,96 3.598,97 360.163,98 9.088,99 1.452,100 0.104,101 50.481,102 208.547,103 27.463,104 1.601,105 5.209,106 1.516,107 0.196,108 360.163,109 11.416,110 2777.37,111 1.669,112 3.079,113 0.628,114 5.194,115 184.75,116 687.682,117 48174.5,118 1.652,119 23471,120 8.167,121 33.15,122 0.112,123 4.762,124 12.967,125 1319,126 3.519,127 26.526,128 3.642,129 2.493,130 2,131 11.624,132 2.791,133 2.791,134 13.761,135 4.424,136 1.89,137 1.89,138 5.178,139 5.244}
{0 CHEMBL204515,1 1.074,2 1.429,4 2.997,5 1.415,6 2.978,7 1.644,9 1.153,10 1.22,11 3.197,12 0.825,13 2.35,14 3.243,15 1.422,16 1.417,17 1.646,18 4.034,19 5.015,20 0.974,21 4.942,22 1.982,23 4.826,24 26.027,25 1,26 1,27 4.153,28 42.7,29 2.275,30 2.275,31 0.965,32 4.412,33 2.189,34 45.182,35 1,36 4.779,37 4.86,38 75.52,39 3.835,41 22.166,42 1,43 1,44 3.999,45 4.29,46 238.459,47 2.873,48 3.801,49 1.667,50 1.886,51 3.508,52 1.967,53 3.496,54 4.21,55 4.334,56 472.72,57 5.165,58 0.074,59 3.634,60 3.414,61 67.272,62 1.162,63 3.618,64 5.364,65 42.781,66 2.402,67 25.287,68 5.134,69 3.461,70 11.885,71 2.275,72 2.275,73 7.075,74 3.847,75 0.075,76 5.376,77 2.476,78 310.879,79 343.408,80 17.796,81 70,82 0.16,83 5.046,84 14.457,85 24.654,86 24.654,87 24.654,88 24.654,89 24.654,90 3.414,91 9.492,92 26.353,93 1.798,94 406.428,95 67,96 5.517,97 354.163,98 9.084,99 1.677,100 0.1,101 50.508,102 209.565,103 26.806,104 1.719,105 5.235,106 1.513,107 0.195,108 354.163,109 11.406,110 2804.77,111 1.795,112 3.083,113 0.629,114 5.124,115 182.75,116 668.694,117 49450.7,118 1.906,119 24184,120 8.139,121 29.036,122 0.107,123 4.825,124 13,125 1328,126 3.504,127 26.363,128 3.641,129 2.46,130 3,131 9.754,132 2.733,133 2.733,134 13.722,135 4.381,136 1.912,137 1.912,138 5.179,139 4.301}
{0 CHEMBL204624,1 1.064,2 1.503,4 2.974,5 1.502,6 2.953,7 1.562,8 250.2,9 1.153,10 1.222,11 3.185,12 0.79,13 2.355,14 3.226,15 1.429,16 1.397,17 1.538,18 4.045,19 4.994,20 0.965,21 5.106,22 1.967,23 4.813,24 26.761,25 1,26 1,27 4.182,28 41.136,29 2.235,30 2.235,31 0.936,32 4.416,33 2.221,34 45.108,35 1.086,36 4.89,37 5.024,38 73.48,39 3.851,41 23.036,42 0.951,43 0.951,44 4.003,45 4.292,46 252.17,47 2.807,48 3.812,49 1.459,50 1.726,51 3.559,52 1.942,53 3.646,54 4.253,55 4.371,56 457.58,57 5.132,58 0.07,59 3.652,60 3.414,61 65.676,62 1.146,63 3.626,64 5.32,65 42.738,66 2.401,67 26.688,68 5.189,69 3.486,70 11.946,71 2.275,72 2.275,73 8.268,74 3.668,75 0.072,76 5.347,77 2.673,78 305.189,79 333.189,80 18.458,81 69,82 0.153,83 4.988,84 15.187,85 25.808,86 25.808,87 25.808,88 25.808,89 25.808,90 3.414,91 9.523,92 28.433,93 1.686,94 391.454,95 65,96 5.847,97 343.944,98 9.15,99 1.434,100 0.095,101 56.105,102 218.044,103 26.601,104 1.513,105 5.172,106 1.417,107 0.188,108 343.944,109 11.472,110 3016.7,111 1.726,112 3.117,113 0.469,114 5.087,115 189.421,116 653.736,117 55109.3,118 1.729,119 28442,120 8.306,121 30.739,122 0.102,123 5.058,124 12.317,125 1473,126 3.499,127 26.485,128 3.667,129 2.356,130 3,131 10.085,132 2.827,133 2.827,134 14.038,135 4.368,136 1.918,137 1.918,138 5.217,139 5.842}
{0 CHEMBL2046643,1 0.822,2 1.324,4 2.751,5 1.33,6 2.719,7 1.39,9 0.934,10 1.044,11 3.023,12 0.822,13 1.016,14 3.133,15 1.308,16 1.264,17 1.348,18 4.058,19 4.841,20 -0.215,21 4.927,22 0.722,23 4.649,24 19.923,25 -0.227,26 -0.227,27 3.916,28 34.411,29 -0.88,30 -0.88,31 -0.326,32 4.202,33 0.848,34 33.671,35 -0.424,36 4.762,37 4.883,38 61.287,39 3.537,41 17.185,42 -0.341,43 -0.341,44 4.019,45 4.066,46 199.705,47 2.392,48 3.537,49 1.417,50 1.805,51 3.228,52 0.63,53 3.289,54 3.93,55 4.082,56 359.2,57 5.042,58 0.103,59 3.416,60 2.586,61 54.094,62 0.131,63 3.422,64 5.213,65 32.767,66 2.134,67 19.214,68 4.748,69 3.194,70 9.302,71 -0.525,72 -0.525,73 4.82,74 3.22,75 0.11,76 5.296,77 2.306,78 253.805,79 271.315,80 13.664,81 55,82 0.235,83 4.904,84 10.838,85 18.679,86 18.679,87 18.679,88 18.679,89 18.679,90 2.505,91 7.543,92 19.592,93 1.38,94 303.58,95 53,96 1.91,97 271.315,98 8.448,99 1.513,100 0.14,101 26.014,102 145.162,103 21.386,104 1.524,105 5.13,106 1.304,107 0.226,108 271.315,109 9.089,110 1410.23,111 1.807,112 2.87,113 0.297,114 4.981,115 134.127,116 504.953,117 18669.6,118 1.789,119 9225,120 6.222,121 22.526,122 0.15,123 3.801,124 9.862,125 615,126 3.242,127 21.181,128 3.409,129 1.499,130 1,131 7.776,132 2.877,133 2.877,134 11.447,135 4.102,136 1.414,137 1.414,138 4.828,139 5.699}
{0 CHEMBL204675,1 1.064,2 1.43,4 2.91,5 1.393,6 2.941,7 1.557,8 110.055,9 1.153,10 1.304,11 3.111,12 0.79,13 2,14 3.206,15 1.429,16 1.417,17 1.543,18 4.002,19 4.888,20 0.612,21 4.357,22 1.587,23 4.697,24 22.518,25 0.721,26 0.721,27 4.001,28 41.885,29 0.614,30 0.614,31 0.232,32 4.277,33 1.736,34 40.063,35 0.371,36 4.419,37 4.304,38 66.527,39 3.719,41 19.257,42 0.274,43 0.274,44 3.969,45 4.158,46 217.204,47 2.456,48 3.658,49 1.513,50 1.726,51 3.459,52 1.156,53 3.485,54 4.096,55 4.18,56 424.91,57 4.992,58 0.084,59 3.476,60 3.267,61 59.363,62 0.939,63 3.485,64 5.236,65 37.42,66 2.206,67 21.939,68 4.918,69 3.4,70 10.204,71 1.719,72 1.719,73 7.03,74 3.338,75 0.085,76 5.199,77 2.292,78 276.811,79 286.811,80 15.329,81 61,82 0.179,83 4.885,84 12.474,85 21.137,86 21.137,87 21.137,88 21.137,89 21.137,90 2.797,91 8.067,92 22.076,93 1.406,94 347.076,95 59,96 5.483,97 294.811,98 8.642,99 1.407,100 0.114,101 41.367,102 175.592,103 24.588,104 1.658,105 5.076,106 1.433,107 0.213,108 294.811,109 9.69,110 2070.47,111 1.726,112 3.05,113 0.469,114 4.978,115 150,116 610.552,117 34074,118 1.729,119 16951,120 7.111,121 30.981,122 0.125,123 4.488,124 11.467,125 1090,126 3.466,127 23.087,128 3.501,129 2.368,130 3,131 9.521,132 2.735,133 2.735,134 11.864,135 4.204,136 1.494,137 1.494,138 4.971,139 5.337}
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{0 CHEMBL208265,1 1.197,2 1.538,3 190.417,4 3.062,5 1.537,6 3.094,7 1.644,8 105.713,9 1.229,10 1.331,11 3.223,12 0.825,13 2.5,14 3.266,15 1.429,16 1.417,17 1.646,18 4.089,19 5.064,20 1,21 5.333,22 2,23 4.892,24 28.445,25 1.01,26 1.01,27 4.284,28 46.687,29 2.275,30 2.275,31 0.976,32 4.464,33 2.35,34 49.586,35 1.29,36 5.063,37 5.193,38 79.357,39 3.965,40 1,41 23.882,42 1,43 1,44 4.072,45 4.353,46 256.304,47 2.928,48 3.909,49 1.667,50 1.937,51 3.511,52 1.986,53 3.53,54 4.363,55 4.419,56 506.23,57 5.227,58 0.067,59 3.637,60 3.593,61 71.131,62 1.352,63 3.623,64 5.409,65 46.474,66 2.498,67 27.498,68 5.248,69 3.465,70 13.015,71 2.56,72 2.56,73 8.816,74 4.126,75 0.069,76 5.428,77 2.838,78 331.559,79 373.612,80 19.262,81 75,82 0.146,83 5.111,84 15.521,85 26.756,86 26.756,87 26.756,88 26.756,89 26.756,90 3.414,91 10.305,92 29.244,93 1.884,94 436.632,95 71,96 5.581,97 384.367,98 9.3,99 1.693,100 0.091,101 61.34,102 232.579,103 28.438,104 1.726,105 5.288,106 1.513,107 0.185,108 384.367,109 12.425,110 3378.15,111 1.929,112 3.227,113 0.675,114 5.174,115 202.877,116 706.782,117 63685.1,118 1.926,119 31483,120 8.667,121 31.24,122 0.102,123 5.12,124 13.8,125 1585,126 3.575,127 28.225,128 3.717,129 2.529,130 3,131 11.348,132 2.858,133 2.858,134 14.854,135 4.517,136 1.984,137 1.984,138 5.29,139 4.301}
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{0 CHEMBL209400,1 1.157,2 1.486,4 3.042,5 1.442,6 3.052,7 1.56,8 117.395,9 1.221,10 1.306,11 3.214,12 0.79,13 2.233,14 3.268,15 1.482,16 1.495,17 1.545,18 4.043,19 5.034,20 0.965,21 5.13,22 1.967,23 4.843,24 26.214,25 1,26 1,27 4.199,28 55.391,29 2.22,30 2.22,31 0.871,32 4.417,33 2.207,34 46.586,35 1.053,36 4.913,37 5.056,38 76.357,39 3.886,41 21.776,42 0.87,43 0.87,44 4.017,45 4.3,46 244.48,47 2.875,48 3.825,49 1.564,50 1.726,51 3.511,52 1.885,53 3.486,54 4.287,55 4.328,56 482.87,57 5.199,58 0.078,59 3.636,60 3.414,61 68.131,62 1.129,63 3.622,64 5.472,65 43.474,66 2.469,67 25.018,68 5.115,69 3.463,70 11.98,71 2.275,72 2.275,73 8.438,74 3.956,75 0.079,76 5.396,77 2.706,78 312.399,79 340.173,80 17.617,81 71,82 0.167,83 5.038,84 13.891,85 24.239,86 24.239,87 24.239,88 24.239,89 24.239,90 3.414,91 9.459,92 25.778,93 1.853,94 413.947,95 68,96 5.57,97 354.173,98 9.092,99 1.418,100 0.104,101 49.557,102 207.665,103 27.463,104 1.668,105 5.208,106 1.513,107 0.197,108 354.173,109 11.327,110 2751.03,111 1.726,112 3.079,113 0.635,114 5.231,115 182.75,116 685.495,117 47085.4,118 1.729,119 22771,120 8.028,121 33.321,122 0.112,123 4.695,124 13.967,125 1260,126 3.537,127 26.69,128 3.642,129 2.492,130 3,131 11.082,132 2.801,133 2.801,134 13.748,135 4.443,136 1.89,137 1.89,138 5.177,139 6.678}
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{0 CHEMBL209881,1 1.13,2 1.483,4 2.945,5 1.493,6 2.941,7 1.517,8 215.221,9 1.211,10 1.266,11 3.191,12 0.736,13 2.051,14 3.236,15 1.452,16 1.498,17 1.538,18 4.052,19 4.926,20 0.649,21 5.043,22 1.634,23 4.757,24 23.969,25 0.728,26 0.728,27 4.08,28 38.144,29 1.502,30 1.502,31 0.595,32 4.328,33 2,34 41.517,35 0.955,36 4.787,37 4.942,38 68.736,39 3.762,40 2,41 20.995,42 0.652,43 0.652,44 4.017,45 4.218,46 248.7,47 2.668,48 3.721,49 1.563,50 1.759,51 3.367,52 1.576,53 3.453,54 4.152,55 4.252,56 427.74,57 4.996,58 0.083,59 3.553,60 3.247,61 61.691,62 0.979,63 3.538,64 5.148,65 39.135,66 2.168,67 24.164,68 5.016,69 3.319,70 10.741,71 1.653,72 1.653,73 7.473,74 3.436,75 0.085,76 5.184,77 2.381,78 315.51,79 325.51,80 16.478,81 64,82 0.18,83 4.903,84 13.719,85 23.118,86 23.118,87 23.118,88 23.118,89 23.118,90 3.193,91 8.528,92 24.561,93 1.561,94 361.775,95 61,96 1.786,97 325.51,98 8.859,99 1.565,100 0.111,101 40.713,102 184.633,103 25.041,104 1.596,105 5.076,106 1.513,107 0.202,108 325.51,109 10.273,110 2224.83,111 1.681,112 3.079,113 0.596,114 4.965,115 164.974,116 610.158,117 35107,118 1.78,119 17703,120 7.639,121 30.41,122 0.121,123 4.5,124 11.817,125 1061,126 3.282,127 24.079,128 3.56,129 2.411,130 1,131 10.051,132 2.786,133 2.786,134 12.611,135 4.257,136 1.769,137 1.769,138 5.056,139 8.155}
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{0 CHEMBL210735,1 1.178,2 1.483,4 2.98,5 1.452,6 2.979,7 1.559,8 112.437,9 1.24,10 1.306,11 3.191,12 0.79,13 2.22,14 3.235,15 1.429,16 1.433,17 1.543,18 4.032,19 4.983,20 0.965,21 5.069,22 1.967,23 4.798,24 25.439,25 1,26 1,27 4.161,28 46.728,29 2.01,30 2.01,31 0.812,32 4.375,33 2.206,34 44.824,35 1.025,36 4.86,37 4.942,38 72.942,39 3.85,41 21.329,42 0.801,43 0.801,44 4.004,45 4.26,46 235.854,47 2.803,48 3.791,49 1.543,50 1.726,51 3.513,52 1.829,53 3.487,54 4.247,55 4.304,56 465.57,57 5.134,58 0.076,59 3.632,60 3.414,61 65.247,62 1,63 3.62,64 5.346,65 41.947,66 2.505,67 24.507,68 5.083,69 3.465,70 11.563,71 2.275,72 2.275,73 8.182,74 3.754,75 0.078,76 5.331,77 2.468,78 296.028,79 325.679,80 17.206,81 68,82 0.165,83 5,84 13.681,85 23.739,86 23.739,87 23.739,88 23.739,89 23.739,90 3.414,91 9.151,92 25.372,93 1.681,94 391.454,95 65,96 5.536,97 336.434,98 9.008,99 1.412,100 0.103,101 48.157,102 201.011,103 26.49,104 1.669,105 5.173,106 1.513,107 0.199,108 336.434,109 10.98,110 2604.65,111 1.726,112 3.089,113 0.603,114 5.111,115 176.117,116 659.418,117 44093.8,118 1.729,119 21656,120 7.833,121 31.34,122 0.112,123 4.675,124 13.05,125 1227,126 3.583,127 25.819,128 3.615,129 2.446,130 3,131 10.486,132 2.821,133 2.821,134 13.366,135 4.396,136 1.908,137 1.908,138 5.138,139 6.027}
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{0 CHEMBL211021,1 1.144,2 1.545,4 3.013,5 1.559,6 2.991,7 1.635,8 126.342,9 1.185,10 1.328,11 3.2,12 0.904,13 2.274,14 3.239,15 1.429,16 1.426,17 1.641,18 4.044,19 5.094,20 0.965,21 4.898,22 1.967,23 4.911,24 26.988,25 1,26 1,27 4.236,28 46.439,29 2.275,30 2.275,31 0.882,32 4.468,33 2.19,34 47.909,35 1.008,36 4.796,37 4.812,38 80.979,39 3.904,40 1,41 22.574,42 0.991,43 0.991,44 4.014,45 4.351,46 254.156,47 2.913,48 3.859,49 1.655,50 1.81,51 3.513,52 1.896,53 3.609,54 4.3,55 4.355,56 496.75,57 5.33,58 0.081,59 3.636,60 3.414,61 72.047,62 1.146,63 3.619,64 5.445,65 45.034,66 2.404,67 25.502,68 5.159,69 3.469,70 12.581,71 2.275,72 2.275,73 7.373,74 4.249,75 0.081,76 5.57,77 2.701,78 328.686,79 360.686,80 18.096,81 75,82 0.173,83 5.149,84 14.452,85 24.919,86 24.919,87 24.919,88 24.919,89 24.919,90 3.414,91 10.019,92 26.641,93 1.88,94 444.235,95 72,96 3.542,97 374.196,98 9.146,99 1.58,100 0.105,101 54.335,102 218.891,103 28.095,104 1.672,105 5.331,106 1.513,107 0.194,108 374.196,109 12.016,110 3033.51,111 1.842,112 3.116,113 0.605,114 5.202,115 184.666,116 713.685,117 56250.4,118 1.795,119 27262,120 8.194,121 31.78,122 0.109,123 4.931,124 14.183,125 1445,126 3.551,127 27.286,128 3.667,129 2.31,130 2,131 11.266,132 2.854,133 2.854,134 14.137,135 4.46,136 1.942,137 1.942,138 5.219,139 6.032}
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{0 CHEMBL211136,1 1.24,2 1.543,4 2.996,5 1.559,6 3.004,7 1.635,8 127.081,9 1.306,10 1.326,11 3.196,12 0.79,13 2.352,14 3.238,15 1.429,16 1.433,17 1.642,18 4.036,19 5.037,20 0.978,21 5.242,22 1.989,23 4.856,24 27.224,25 1,26 1,27 4.208,28 48.833,29 2.275,30 2.275,31 0.965,32 4.44,33 2.209,34 47.284,35 1.064,36 4.984,37 5.13,38 77.65,39 3.89,41 23.036,42 1,43 1,44 4.007,45 4.325,46 254.643,47 2.971,48 3.845,49 1.665,50 1.726,51 3.555,52 1.967,53 3.523,54 4.281,55 4.38,56 500.02,57 5.177,58 0.073,59 3.628,60 3.493,61 69.676,62 1.146,63 3.616,64 5.413,65 44.683,66 2.386,67 26.398,68 5.195,69 3.485,70 12.236,71 2.275,72 2.275,73 8.117,74 3.921,75 0.074,76 5.37,77 2.707,78 322.062,79 349.714,80 18.6,81 72,82 0.158,83 5.067,84 14.875,85 25.601,86 25.601,87 25.601,88 25.601,89 25.601,90 3.414,91 9.704,92 27.164,93 1.894,94 421.488,95 69,96 5.367,97 366.469,98 9.256,99 1.428,100 0.097,101 55.282,102 222,103 29.057,104 1.7,105 5.24,106 1.513,107 0.192,108 366.469,109 11.662,110 3074.59,111 1.726,112 3.203,113 0.6,114 5.197,115 194.131,116 706.85,117 54751.1,118 1.729,119 25737,120 8.5,121 32.013,122 0.105,123 4.846,124 13.717,125 1334,126 3.512,127 28.104,128 3.693,129 2.637,130 3,131 10.745,132 2.783,133 2.783,134 14.495,135 4.42,136 2.006,137 2.006,138 5.253,139 6.602}
{0 CHEMBL211291,1 1.195,2 1.542,4 2.979,5 1.539,6 2.985,7 1.555,8 120.922,9 1.254,10 1.261,11 3.212,12 0.716,13 2.211,14 3.266,15 1.454,16 1.498,17 1.561,18 4.032,19 5.022,20 0.949,21 5.209,22 1.967,23 4.854,24 26.685,25 1,26 1,27 4.192,28 47.423,29 1.836,30 1.836,31 0.867,32 4.414,33 2.151,34 46.489,35 1.054,36 4.949,37 5.088,38 76.278,39 3.877,41 23.044,42 0.983,43 0.983,44 4.01,45 4.312,46 255.924,47 2.793,48 3.832,49 1.595,50 1.659,51 3.466,52 1.881,53 3.47,54 4.264,55 4.357,56 489.45,57 5.173,58 0.075,59 3.633,60 3.414,61 68.683,62 1.146,63 3.621,64 5.374,65 43.882,66 2.392,67 26.486,68 5.165,69 3.434,70 11.973,71 2.275,72 2.275,73 8.356,74 3.839,75 0.077,76 5.352,77 2.657,78 327.418,79 356.928,80 18.282,81 71,82 0.162,83 5.017,84 14.886,85 25.48,86 25.48,87 25.48,88 25.48,89 25.48,90 3.321,91 9.482,92 26.759,93 1.699,94 413.947,95 68,96 3.497,97 364.928,98 9.174,99 1.404,100 0.1,101 53.003,102 214.659,103 28.399,104 1.634,105 5.174,106 1.513,107 0.193,108 364.928,109 11.4,110 2915.77,111 1.669,112 3.091,113 0.607,114 5.169,115 189.421,116 695.826,117 50668.6,118 1.683,119 24146,120 8.5,121 33.107,122 0.109,123 4.786,124 13.6,125 1338,126 3.503,127 27.233,128 3.667,129 2.485,130 2,131 11.338,132 2.814,133 2.814,134 14.112,135 4.41,136 1.891,137 1.891,138 5.213,139 7.699}
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{0 CHEMBL212269,1 1.031,2 1.396,4 2.855,5 1.339,6 2.876,7 1.376,8 88.461,9 1.065,10 1.153,11 3.008,12 0.712,13 2,14 3.078,15 1.289,16 1.232,17 1.429,18 4.01,19 4.723,20 0.617,21 4.844,22 1.587,23 4.558,24 21.194,25 0.703,26 0.703,27 3.957,28 35.277,32 4.148,33 1.265,34 36.324,36 4.635,37 4.745,38 57.072,39 3.66,41 18.059,44 3.979,45 4.04,46 187.059,47 2.366,48 3.604,49 1.413,50 1.643,51 3.206,52 0.845,53 3.453,54 4.048,55 4.137,56 372.92,57 4.788,58 0.089,59 3.613,60 3.247,61 51.385,62 0.575,63 3.611,64 4.987,65 34.125,66 2.121,67 21.142,68 4.851,69 3.149,70 9.558,71 1.749,72 1.749,73 6.7,74 2.976,75 0.091,76 4.976,77 2.294,78 228.887,79 254.539,80 14.581,81 54,82 0.194,83 4.773,84 12.161,85 20.378,86 20.378,87 20.378,88 20.378,89 20.378,90 2.897,91 7.586,92 22.364,93 1.343,94 289.294,95 51,96 3.585,97 264.539,98 8.48,99 1.373,100 0.121,101 35.52,102 157.581,103 20.978,104 1.513,105 4.964,106 1.251,107 0.211,108 264.539,109 9.189,110 1702.67,111 1.666,112 2.866,113 0.37,114 4.777,115 143.207,116 525.69,117 24837.5,118 1.639,119 13518,120 6.583,121 22.932,122 0.13,123 4.307,124 9.467,125 892,126 3.272,127 20.924,128 3.44,129 2.056,130 2,131 8.222,132 2.713,133 2.713,134 11.098,135 4.132,136 1.396,137 1.396,138 4.875,139 6.161}
{0 CHEMBL213505,1 0.803,2 1.199,3 136.926,4 2.715,5 1.212,6 2.707,7 1.394,8 73.006,9 0.876,10 0.886,11 2.865,12 0.267,13 1.322,14 2.94,15 1.107,16 1.152,17 1.314,18 4.118,19 4.532,20 0.068,21 4.898,22 1.019,23 4.412,24 19.7,25 0.072,26 0.072,27 3.846,28 18.142,29 -0.579,30 -0.579,31 -0.231,32 4.037,33 1.176,34 29.563,35 -0.308,36 4.745,37 4.86,38 49.504,39 3.427,41 17.078,42 -0.237,43 -0.237,44 4.094,45 3.932,46 162.045,47 2.474,48 3.486,49 1.204,50 1.56,51 3.274,52 0.76,53 3.291,54 3.794,55 4.132,56 316.97,57 4.673,58 0.096,59 3.227,60 2.961,61 45.222,62 0.51,63 3.17,64 4.781,65 30.342,66 2.21,67 20.315,68 4.82,69 3.219,70 8.322,71 0.194,72 0.194,73 4.166,74 2.264,75 0.101,76 4.862,77 2.407,78 189.82,79 211.82,80 14.309,81 46,82 0.216,83 4.569,84 11.431,85 19.781,86 19.781,87 19.781,88 19.781,89 19.781,90 2.726,91 6.8,92 21.671,93 1.429,94 233.329,95 43,97 218.574,98 8.477,99 1.266,100 0.127,101 30.667,102 157.057,103 19.832,104 1.227,105 4.725,106 1.181,107 0.215,108 216.574,109 8.26,110 1669.73,111 1.411,112 2.743,113 0.029,114 4.59,115 138.452,116 428.199,117 24285.4,118 1.627,119 13182,120 6.361,121 9.29,122 0.141,123 4.163,124 7.695,125 830,126 3.282,127 21.303,128 3.44,129 1.844,131 5.737,132 2.71,133 2.71,134 11.482,135 3.872,136 1.534,137 1.534,138 4.882,139 5.8}
{0 CHEMBL2151321,1 0.815,2 1.325,3 117.076,4 2.626,5 1.339,6 2.618,7 1.509,8 139.933,9 0.934,10 1.056,11 2.846,12 0.729,13 1.172,14 2.939,15 1.308,16 1.232,17 1.465,18 4.186,19 4.697,20 -0.09,21 5.1,22 0.808,23 4.516,24 19.395,25 -0.101,26 -0.101,27 3.836,28 23.194,29 -0.694,30 -0.694,31 -0.261,32 4.131,33 0.974,34 31.762,35 -0.344,36 4.796,37 5.011,38 54.944,39 3.468,41 16.344,42 -0.295,43 -0.295,44 4.132,45 4.001,46 187.254,47 2.337,48 3.486,49 1.417,50 1.759,51 3.323,52 0.602,53 3.481,54 3.824,55 4.069,56 312.32,57 4.689,58 0.096,59 3.394,60 2.785,61 48.738,62 0.029,63 3.4,64 4.936,65 30.936,66 2.074,67 19.387,68 4.736,69 3.253,70 8.764,71 -0.253,72 -0.253,73 4.11,74 2.893,75 0.103,76 4.922,77 2.224,78 225.939,79 245.814,80 13.491,81 51,82 0.217,83 4.713,84 10.954,85 18.756,86 18.756,87 18.756,88 18.756,89 18.756,90 2.509,91 7.105,92 20.69,93 1.306,94 268.078,95 48,97 245.814,98 8.297,99 1.482,100 0.133,101 29.051,102 141.624,103 18.541,104 1.653,105 4.927,106 1.341,107 0.22,108 245.814,109 8.521,110 1402.2,111 1.686,112 2.666,113 0.24,114 4.699,115 132.606,116 458.163,117 18685.7,118 1.795,119 10261,120 6.028,121 17.577,122 0.149,123 4.02,124 9.56,125 733,126 3.186,127 19.673,128 3.374,129 1.473,131 6.102,132 2.703,133 2.703,134 10.295,135 3.879,136 1.403,137 1.403,138 4.774,139 7.141}
{0 CHEMBL215152,1 1.178,2 1.614,4 3.106,5 1.598,6 3.124,7 1.636,8 108.317,9 1.235,10 1.339,11 3.331,12 0.975,13 2.206,14 3.406,15 1.456,16 1.378,17 1.629,18 4.117,19 5.009,20 0.904,21 5.124,22 1.904,23 4.827,24 25.769,25 0.947,26 0.947,27 4.108,28 39.939,29 1.738,30 1.738,31 0.714,32 4.435,33 2.103,34 43.478,35 1.064,36 4.787,37 5.05,38 76.438,39 3.771,40 1,41 22.558,42 0.728,43 0.728,44 4.079,45 4.307,46 266.902,47 2.769,48 3.774,49 1.677,50 1.809,51 3.483,52 1.71,53 3.525,54 4.127,55 4.338,56 445.72,57 5.098,58 0.074,59 3.578,60 3.28,61 67.81,62 0.864,63 3.574,64 5.377,65 41.999,66 2.259,67 26.028,68 5.153,69 3.436,70 11.89,71 1.822,72 1.822,73 5.696,74 4.04,75 0.077,76 5.335,77 2.567,78 348.163,79 387.673,80 18.034,81 70,82 0.163,83 5.066,84 15.396,85 25.342,86 25.342,87 25.342,88 25.342,89 25.342,90 3.13,91 9.668,92 26.929,93 1.715,94 406.428,95 67,96 2.173,97 387.673,98 9.075,99 1.602,100 0.101,101 61.746,102 210.706,103 26.642,104 1.769,105 5.289,106 1.524,107 0.193,108 387.673,109 11.684,110 2847.78,111 1.788,112 3.108,113 0.469,114 5.13,115 192.75,116 649.068,117 51192.2,118 1.82,119 24809,120 8.389,121 25.778,122 0.113,123 4.954,124 11.976,125 1367,126 3.36,127 26.037,128 3.641,129 2.24,130 1,131 8.954,132 2.667,133 2.667,134 13.677,135 4.231,136 1.816,137 1.816,138 5.172,139 5.4}
{0 CHEMBL215943,1 1.065,2 1.455,4 3.05,5 1.45,6 3.009,7 1.57,9 1.153,10 1.251,11 3.261,12 0.965,13 2.563,14 3.316,15 1.429,16 1.435,17 1.548,18 4.134,19 5.045,20 1.075,21 5.447,22 2.088,23 4.878,24 27.125,25 1.1,26 1.1,27 4.218,28 40.056,29 2.356,30 2.356,31 0.965,32 4.431,33 2.244,34 44.648,35 1.178,36 5.056,37 5.342,38 76.327,39 3.841,41 23.344,42 1.063,43 1.063,44 4.105,45 4.315,46 251.042,47 2.914,48 3.843,49 1.563,50 1.948,51 3.467,52 1.978,53 3.521,54 4.23,55 4.397,56 463.97,57 5.183,58 0.072,59 3.608,60 3.484,61 68.189,62 1.189,63 3.594,64 5.393,65 43.535,66 2.311,67 26.819,68 5.213,69 3.422,70 12.437,71 2.516,72 2.516,73 6.653,74 3.985,75 0.077,76 5.413,77 2.59,78 323.699,79 368.918,80 18.758,81 71,82 0.165,83 5.091,84 15.309,85 26.073,86 26.073,87 26.073,88 26.073,89 26.073,90 3.357,91 10.029,92 28.72,93 1.895,94 406.428,95 67,96 2.333,97 372.918,98 9.235,99 1.677,100 0.097,101 61.332,102 222.965,103 26.925,104 1.71,105 5.289,106 1.513,107 0.187,108 372.918,109 12.212,110 3127.79,111 1.946,112 3.145,113 0.469,114 5.147,115 197.376,116 627.798,117 56113.5,118 1.947,119 28215,120 8.361,121 26.11,122 0.105,123 4.99,124 12.279,125 1425,126 3.442,127 27.407,128 3.693,129 2.166,130 1,131 10.201,132 2.895,133 2.895,134 14.931,135 4.388,136 1.925,137 1.925,138 5.249,139 4.602}
{0 CHEMBL2177131,1 1.177,2 1.563,3 164.94,4 3.056,5 1.574,6 3.036,7 1.678,8 86.735,9 1.251,10 1.325,11 3.281,12 0.916,13 2.5,14 3.369,15 1.51,16 1.499,17 1.672,18 4.197,19 5.138,20 1,21 5.687,22 2,23 4.944,24 27.816,25 1,26 1,27 4.291,28 47.918,29 2.323,30 2.323,31 0.989,32 4.524,33 2.424,34 48.608,35 1.382,36 5.303,37 5.598,38 83.72,39 3.918,41 22.974,42 1,43 1,44 4.15,45 4.388,46 281.419,47 2.847,48 3.889,49 1.688,50 1.895,51 3.518,52 1.997,53 3.618,54 4.34,55 4.393,56 485.06,57 5.401,58 0.077,59 3.651,60 3.579,61 73.738,62 1.125,63 3.642,64 5.589,65 45.955,66 2.486,67 26.11,68 5.196,69 3.461,70 13.183,71 2.523,72 2.523,73 7.377,74 4.489,75 0.078,76 5.655,77 2.698,78 367.46,79 395.46,80 18.613,81 78,82 0.165,83 5.227,84 14.794,85 25.764,86 25.764,87 25.764,88 25.764,89 25.764,90 3.463,91 10.6,92 28.145,93 1.807,94 459.5,95 74,96 1.841,97 401.46,98 9.262,99 1.689,100 0.1,101 50.451,102 219.257,103 26.988,104 1.809,105 5.431,106 1.525,107 0.188,108 401.46,109 12.701,110 2991.11,111 1.869,112 3.17,113 0.627,114 5.333,115 197.376,116 695.648,117 51063.2,118 1.916,119 25026,120 8.306,121 30.09,122 0.111,123 4.753,124 14.5,125 1248,126 3.511,127 27.733,128 3.693,129 2.269,130 1,131 11.04,132 2.886,133 2.886,134 14.482,135 4.53,136 1.884,137 1.884,138 5.252,139 4}
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{0 CHEMBL2179793,1 0.906,2 1.323,3 114.221,4 2.793,5 1.298,6 2.788,7 1.536,8 59.356,9 0.992,10 1.057,11 3.025,12 0.747,13 2,14 3.116,15 1.25,16 1.24,17 1.528,18 4.2,19 4.78,20 0.194,21 5.529,22 1.231,23 4.619,24 20.906,25 0.188,26 0.188,27 3.983,28 31.789,29 -0.638,30 -0.638,31 -0.246,32 4.181,33 1.069,34 35.137,35 -0.338,36 5.159,37 5.447,38 58.86,39 3.627,41 17.527,42 -0.269,43 -0.269,44 4.165,45 4.068,46 211.403,47 2.434,48 3.594,49 1.51,50 1.746,51 3.386,52 0.648,53 3.532,54 4.016,55 4.131,56 359.54,57 4.976,58 0.098,59 3.496,60 2.751,61 52.738,62 0.652,63 3.545,64 5.17,65 33.674,66 2.352,67 20.408,68 4.809,69 3.296,70 9.516,71 0.249,72 0.249,73 6.393,74 2.968,75 0.102,76 5.183,77 2.321,78 261.668,79 277.668,80 14.291,81 55,82 0.216,83 4.89,84 11.314,85 19.842,86 19.842,87 19.842,88 19.842,89 19.842,90 2.623,91 7.541,92 21.383,93 1.41,94 296.423,95 52,96 1.739,97 277.668,98 8.548,99 1.553,100 0.131,101 26.667,102 150.991,103 20.517,104 1.587,105 5.083,106 1.335,107 0.216,108 277.668,109 9.127,110 1507.52,111 1.722,112 2.838,113 0.291,114 4.954,115 143.207,116 506.01,117 20087.5,118 1.724,119 10278,120 6.444,121 22.324,122 0.146,123 3.891,124 9.583,125 642,126 3.41,127 21.466,128 3.441,129 1.808,130 1,131 8.133,132 2.863,133 2.863,134 11.301,135 4.165,136 1.468,137 1.468,138 4.877,139 4}
{0 CHEMBL2179794,1 1.006,2 1.464,3 163.052,4 2.975,5 1.516,6 2.948,7 1.58,8 85.608,9 1.064,10 1.226,11 3.185,12 0.787,13 2.5,14 3.22,15 1.324,16 1.331,17 1.55,18 4.196,19 4.969,20 1.02,21 5.746,22 2.027,23 4.812,24 26.516,25 1.018,26 1.018,27 4.192,28 34.818,29 2.434,30 2.434,31 1,32 4.389,33 2.457,34 42.375,35 1.419,36 5.338,37 5.631,38 72.078,39 3.786,41 23.137,42 1,43 1,44 4.149,45 4.27,46 259.51,47 2.875,48 3.805,49 1.514,50 1.888,51 3.462,52 2,53 3.532,54 4.183,55 4.393,56 448.73,57 5.189,58 0.075,59 3.66,60 3.602,61 64.741,62 1.019,63 3.65,64 5.339,65 41.997,66 2.477,67 26.533,68 5.196,69 3.418,70 11.917,71 2.499,72 2.499,73 6.615,74 3.658,75 0.078,76 5.402,77 2.652,78 319.814,79 349.814,80 18.651,81 67,82 0.165,83 5.061,84 14.848,85 25.927,86 25.927,87 25.927,88 25.927,89 25.927,90 3.467,91 9.668,92 28.145,93 1.834,94 376.569,95 63,96 1.713,97 351.814,98 9.271,99 1.689,100 0.1,101 48.907,102 218.179,103 26.551,104 1.722,105 5.255,106 1.357,107 0.188,108 351.814,109 11.769,110 2957.55,111 1.809,112 3.141,113 0.377,114 5.129,115 197.376,116 606.214,117 49730.5,118 1.906,119 24194,120 8.389,121 20.984,122 0.111,123 4.708,124 11.262,125 1222,126 3.534,127 27.733,128 3.693,129 2.266,130 1,131 8.937,132 2.902,133 2.902,134 14.918,135 4.334,136 1.911,137 1.911,138 5.252,139 6.886}
{0 CHEMBL2179795,1 1.034,2 1.449,3 159.971,4 3.012,5 1.504,6 2.978,7 1.575,8 83.838,9 1.077,10 1.212,11 3.225,12 0.787,13 2.528,14 3.267,15 1.325,16 1.331,17 1.549,18 4.196,19 4.969,20 1.082,21 5.756,22 2.095,23 4.812,24 26.516,25 1.114,26 1.114,27 4.192,28 34.026,29 2.468,30 2.468,31 1.009,32 4.389,33 2.457,34 42.375,35 1.418,36 5.347,37 5.635,38 72.078,39 3.786,41 23.137,42 1,43 1,44 4.149,45 4.27,46 259.51,47 2.875,48 3.805,49 1.514,50 1.888,51 3.443,52 2.014,53 3.532,54 4.183,55 4.393,56 448.73,57 5.189,58 0.075,59 3.66,60 3.603,61 64.741,62 1.183,63 3.65,64 5.339,65 41.997,66 2.471,67 26.533,68 5.196,69 3.398,70 11.917,71 2.567,72 2.567,73 6.593,74 3.658,75 0.078,76 5.402,77 2.651,78 321.814,79 355.814,80 18.651,81 67,82 0.165,83 5.061,84 14.891,85 25.927,86 25.927,87 25.927,88 25.927,89 25.927,90 3.486,91 9.669,92 28.145,93 1.834,94 376.569,95 63,96 1.706,97 359.814,98 9.281,99 1.689,100 0.1,101 46.805,102 217.392,103 26.551,104 1.722,105 5.255,106 1.356,107 0.188,108 359.814,109 11.768,110 2918.06,111 1.809,112 3.162,113 0.365,114 5.135,115 201.376,116 606.214,117 48705.1,118 1.906,119 23666,120 8.389,121 20.984,122 0.111,123 4.676,124 11.262,125 1164,126 3.529,127 27.733,128 3.693,129 2.266,130 1,131 8.937,132 2.901,133 2.901,134 14.969,135 4.334,136 1.911,137 1.911,138 5.255,139 6.721}
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{0 CHEMBL2179803,1 1.018,2 1.506,3 144.672,4 2.931,5 1.507,6 2.938,7 1.577,8 75.638,9 1.083,10 1.251,11 3.091,12 0.787,13 2.457,14 3.161,15 1.328,16 1.336,17 1.559,18 4.195,19 4.934,20 0.963,21 5.707,22 1.965,23 4.758,24 25.138,25 1,26 1,27 4.138,28 33.701,29 2.275,30 2.275,31 0.955,32 4.368,33 2.288,34 41.807,35 1.195,36 5.278,37 5.587,38 70.142,39 3.765,41 21.574,42 1,43 1,44 4.148,45 4.239,46 251.067,47 2.873,48 3.762,49 1.531,50 1.888,51 3.426,52 1.958,53 3.532,54 4.158,55 4.321,56 424.22,57 5.134,58 0.081,59 3.659,60 3.466,61 62.421,62 1,63 3.649,64 5.283,65 40.342,66 2.439,67 24.87,68 5.099,69 3.371,70 11.52,71 2.436,72 2.436,73 6.298,74 3.661,75 0.084,76 5.36,77 2.594,78 324.896,79 350.405,80 17.44,81 66,82 0.176,83 5.021,84 14.217,85 24.455,86 24.455,87 24.455,88 24.455,89 24.455,90 3.454,91 9.343,92 26.759,93 1.833,94 369.16,95 62,96 1.767,97 352.405,98 9.052,99 1.689,100 0.108,101 41.204,102 195.2,103 23.803,104 1.722,105 5.224,106 1.509,107 0.193,108 352.405,109 11.265,110 2419.49,111 1.81,112 2.96,113 0.439,114 5.068,115 186.117,116 592.393,117 37746.3,118 1.905,119 19181,120 7.889,121 22.131,122 0.119,123 4.526,124 11.45,125 1061,126 3.483,127 25.233,128 3.616,129 2.254,130 1,131 8.277,132 2.831,133 2.831,134 13.318,135 4.305,136 1.909,137 1.909,138 5.136,139 6.143}
{0 CHEMBL2179804,1 1.115,2 1.544,3 156.926,4 3.041,5 1.56,6 3.021,7 1.698,8 82.285,9 1.162,10 1.307,11 3.246,12 0.901,13 2.458,14 3.293,15 1.389,16 1.417,17 1.703,18 4.197,19 5.041,20 1.009,21 5.733,22 2.014,23 4.86,24 26.841,25 1,26 1,27 4.23,28 41.864,29 2.419,30 2.419,31 1,32 4.458,33 2.427,34 46.086,35 1.379,36 5.318,37 5.617,38 77.889,39 3.867,41 22.858,42 1,43 1,44 4.149,45 4.327,46 271.714,47 2.874,48 3.847,49 1.722,50 1.891,51 3.578,52 2,53 3.533,54 4.271,55 4.371,56 465.12,57 5.263,58 0.077,59 3.661,60 3.597,61 68.97,62 1.019,63 3.65,64 5.461,65 43.901,66 2.47,67 26.017,68 5.171,69 3.527,70 12.62,71 2.48,72 2.48,73 6.98,74 4.239,75 0.08,76 5.493,77 2.616,78 351.978,79 381.978,80 18.351,81 73,82 0.168,83 5.145,84 14.852,85 25.662,86 25.662,87 25.662,88 25.662,89 25.662,90 3.465,91 10.227,92 27.857,93 1.834,94 421.488,95 69,96 1.775,97 383.978,98 9.199,99 1.69,100 0.103,101 46.989,102 210.599,103 25.778,104 1.79,105 5.356,106 1.514,107 0.189,108 383.978,109 12.282,110 2779.73,111 1.815,112 3.148,113 0.469,114 5.229,115 191.421,116 653.622,117 45662.9,118 1.91,119 22519,120 8.333,121 26.239,122 0.113,123 4.671,124 12.917,125 1185,126 3.518,127 26.811,128 3.668,129 2.265,130 1,131 9.937,132 2.84,133 2.84,134 14.086,135 4.437,136 1.91,137 1.91,138 5.213,139 6.796}
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{0 CHEMBL2179807,1 1.061,2 1.531,3 170.075,4 3.027,5 1.546,6 2.999,7 1.645,8 89.465,9 1.099,10 1.285,11 3.249,12 0.79,13 2.5,14 3.293,15 1.327,16 1.335,17 1.618,18 4.196,19 5.021,20 1.089,21 5.727,22 2.095,23 4.858,24 27.333,25 1.112,26 1.112,27 4.225,28 37.582,29 2.448,30 2.448,31 1,32 4.43,33 2.457,34 44.137,35 1.421,36 5.323,37 5.624,38 75.493,39 3.825,41 23.844,42 1,43 1,44 4.149,45 4.309,46 270.347,47 2.876,48 3.838,49 1.561,50 1.891,51 3.539,52 2,53 3.532,54 4.224,55 4.417,56 466.03,57 5.242,58 0.073,59 3.662,60 3.61,61 67.625,62 1.161,63 3.651,64 5.395,65 43.524,66 2.469,67 27.239,68 5.234,69 3.484,70 12.371,71 2.567,72 2.567,73 6.879,74 3.846,75 0.076,76 5.459,77 2.677,78 336.175,79 366.175,80 19.151,81 70,82 0.162,83 5.106,84 15.296,85 26.634,86 26.634,87 26.634,88 26.634,89 26.634,90 3.47,91 10.029,92 28.838,93 1.835,94 398.93,95 66,96 1.723,97 372.175,98 9.336,99 1.691,100 0.098,101 53.558,102 226.699,103 27.513,104 1.722,105 5.302,106 1.51,107 0.186,108 372.175,109 12.205,110 3176.67,111 1.811,112 3.183,113 0.439,114 5.175,115 204.122,116 632.29,117 55280.1,118 1.912,119 26701,120 8.639,121 23.132,122 0.108,123 4.825,124 11.762,125 1321,126 3.521,127 28.441,128 3.717,129 2.266,130 1,131 9.467,132 2.894,133 2.894,134 15.276,135 4.379,136 1.912,137 1.912,138 5.288,139 6.699}
{0 CHEMBL2179808,1 1.065,2 1.529,3 157.543,4 3.023,5 1.539,6 3.003,7 1.626,8 82.653,9 1.105,10 1.286,11 3.177,12 0.789,13 2.5,14 3.214,15 1.325,16 1.335,17 1.61,18 4.196,19 4.949,20 1,21 5.7,22 2,23 4.781,24 26.418,25 1,26 1,27 4.189,28 35.406,29 2.275,30 2.275,31 0.963,32 4.39,33 2.457,34 43.807,35 1.196,36 5.283,37 5.595,38 72.142,39 3.818,41 23.112,42 1,43 1,44 4.148,45 4.265,46 262.172,47 2.875,48 3.813,49 1.564,50 1.891,51 3.511,52 1.966,53 3.532,54 4.214,55 4.373,56 453.54,57 5.174,58 0.077,59 3.662,60 3.47,61 64.421,62 1.18,63 3.651,64 5.342,65 42.342,66 2.458,67 26.396,68 5.18,69 3.454,70 12.096,71 2.449,72 2.449,73 6.681,74 3.789,75 0.08,76 5.394,77 2.65,78 330,79 360,80 18.478,81 68,82 0.168,83 5.066,84 15.164,85 26.032,86 26.032,87 26.032,88 26.032,89 26.032,90 3.455,91 9.818,92 28.145,93 1.834,94 384,95 64,96 1.762,97 362,98 9.195,99 1.691,100 0.103,101 48.939,102 211.242,103 25.293,104 1.722,105 5.269,106 1.51,107 0.188,108 362,109 11.871,110 2804.5,111 1.811,112 3.133,113 0.439,114 5.121,115 195.421,116 627.312,117 46459.9,118 1.911,119 23051,120 8.472,121 21.703,122 0.113,123 4.731,124 11.533,125 1243,126 3.504,127 26.648,128 3.668,129 2.301,130 1,131 8.629,132 2.813,133 2.813,134 14.043,135 4.37,136 1.911,137 1.911,138 5.212,139 5.389}
{0 CHEMBL2179809,1 1.059,2 1.53,3 170.075,4 3.027,5 1.546,6 2.998,7 1.642,8 89.465,9 1.098,10 1.282,11 3.247,12 0.787,13 2.5,14 3.291,15 1.327,16 1.335,17 1.609,18 4.196,19 5.013,20 1.089,21 5.727,22 2.095,23 4.848,24 27.203,25 1.112,26 1.112,27 4.206,28 35.875,29 2.448,30 2.448,31 0.963,32 4.423,33 2.457,34 43.381,35 1.421,36 5.323,37 5.624,38 74.576,39 3.8,41 23.844,42 1,43 1,44 4.148,45 4.301,46 275.572,47 2.876,48 3.822,49 1.539,50 1.89,51 3.536,52 1.966,53 3.532,54 4.194,55 4.417,56 459.73,57 5.208,58 0.073,59 3.661,60 3.61,61 66.843,62 1.161,63 3.651,64 5.371,65 43.019,66 2.468,67 27.293,68 5.234,69 3.481,70 12.215,71 2.567,72 2.567,73 6.713,74 3.768,75 0.076,76 5.424,77 2.673,78 345.189,79 370.699,80 19.151,81 69,82 0.162,83 5.09,84 15.296,85 26.634,86 26.634,87 26.634,88 26.634,89 26.634,90 3.47,91 9.908,92 28.838,93 1.835,94 391.454,95 65,96 1.718,97 372.699,98 9.336,99 1.69,100 0.098,101 53.558,102 226.699,103 27.45,104 1.722,105 5.288,106 1.507,107 0.186,108 372.699,109 12.064,110 3176.67,111 1.81,112 3.182,113 0.439,114 5.155,115 208.122,116 626.971,117 55280.1,118 1.911,119 26701,120 8.639,121 22.368,122 0.108,123 4.825,124 11.629,125 1321,126 3.52,127 28.441,128 3.717,129 2.266,130 1,131 8.912,132 2.894,133 2.894,134 15.312,135 4.346,136 1.912,137 1.912,138 5.288,139 5.818}
{0 CHEMBL2179810,1 1.007,2 1.524,3 151.277,4 2.938,5 1.534,6 2.938,7 1.615,8 79.248,9 1.069,10 1.272,11 3.086,12 0.788,13 2.457,14 3.152,15 1.324,16 1.335,17 1.594,18 4.195,19 4.948,20 1,21 5.687,22 2,23 4.779,24 25.731,25 1,26 1,27 4.166,28 34.808,29 2.275,30 2.275,31 0.963,32 4.38,33 2.289,34 42.5,35 1.196,36 5.263,37 5.58,38 71.399,39 3.789,41 22.281,42 1,43 1,44 4.148,45 4.255,46 254.74,47 2.875,48 3.788,49 1.542,50 1.89,51 3.487,52 1.966,53 3.532,54 4.185,55 4.347,56 436.59,57 5.155,58 0.079,59 3.662,60 3.47,61 63.716,62 1.019,63 3.651,64 5.323,65 41.231,66 2.454,67 25.578,68 5.14,69 3.43,70 11.794,71 2.449,72 2.449,73 6.511,74 3.712,75 0.082,76 5.377,77 2.647,78 322.569,79 352.569,80 17.94,81 67,82 0.172,83 5.062,84 14.665,85 25.162,86 25.162,87 25.162,88 25.162,89 25.162,90 3.455,91 9.568,92 27.452,93 1.834,94 376.569,95 63,96 1.755,97 354.569,98 9.123,99 1.691,100 0.105,101 45.429,102 203.385,103 24.758,104 1.722,105 5.268,106 1.507,107 0.191,108 354.569,109 11.598,110 2614.42,111 1.81,112 2.997,113 0.439,114 5.103,115 188.75,116 600.546,117 42166.2,118 1.91,119 21232,120 8.139,121 21.87,122 0.116,123 4.643,124 11.226,125 1154,126 3.501,127 25.941,128 3.642,129 2.266,130 1,131 8.718,132 2.813,133 2.813,134 13.726,135 4.33,136 1.911,137 1.911,138 5.174,139 5.609}
{0 CHEMBL2179811,1 1.098,2 1.538,3 157.543,4 2.995,5 1.548,6 2.983,7 1.638,8 82.653,9 1.166,10 1.283,11 3.226,12 0.788,13 2.457,14 3.287,15 1.477,16 1.491,17 1.625,18 4.196,19 5.01,20 1,21 5.7,22 2,23 4.837,24 26.619,25 1,26 1,27 4.195,28 39.112,29 2.275,30 2.275,31 0.963,32 4.435,33 2.289,34 44.779,35 1.196,36 5.283,37 5.595,38 75.684,39 3.827,41 23.203,42 1,43 1,44 4.148,45 4.311,46 269.351,47 2.875,48 3.823,49 1.607,50 1.891,51 3.499,52 1.966,53 3.532,54 4.218,55 4.373,56 456.61,57 5.207,58 0.077,59 3.662,60 3.47,61 67.414,62 1.019,63 3.651,64 5.412,65 43.089,66 2.456,67 26.565,68 5.18,69 3.446,70 12.201,71 2.449,72 2.449,73 6.757,74 3.884,75 0.08,76 5.424,77 2.649,78 347.673,79 377.673,80 18.478,81 71,82 0.168,83 5.09,84 15.164,85 26.032,86 26.032,87 26.032,88 26.032,89 26.032,90 3.455,91 9.894,92 28.145,93 1.834,94 406.428,95 67,96 1.771,97 379.673,98 9.195,99 1.691,100 0.103,101 48.939,102 211.242,103 25.741,104 1.722,105 5.289,106 1.518,107 0.188,108 379.673,109 11.94,110 2804.5,111 1.81,112 3.085,113 0.551,114 5.184,115 195.421,116 638.905,117 46459.9,118 1.911,119 23051,120 8.472,121 25.068,122 0.113,123 4.731,124 12.25,125 1243,126 3.503,127 26.648,128 3.668,129 2.266,130 1,131 9.218,132 2.813,133 2.813,134 14.063,135 4.375,136 1.911,137 1.911,138 5.212,139 5.189}
{0 CHEMBL2179812,1 1.071,2 1.538,3 157.981,4 3.01,5 1.551,6 2.998,7 1.686,8 82.914,9 1.115,10 1.296,11 3.178,12 0.865,13 2.458,14 3.215,15 1.332,16 1.336,17 1.694,18 4.196,19 4.998,20 1,21 5.68,22 2,23 4.825,24 26.548,25 1,26 1,27 4.199,28 37.764,29 2.275,30 2.275,31 0.963,32 4.422,33 2.289,34 44.262,35 1.197,36 5.263,37 5.572,38 74.814,39 3.828,41 22.988,42 1,43 1,44 4.148,45 4.295,46 264.295,47 2.876,48 3.822,49 1.7,50 1.893,51 3.578,52 1.966,53 3.532,54 4.224,55 4.372,56 453.89,57 5.196,58 0.077,59 3.663,60 3.475,61 66.6,62 1.019,63 3.652,64 5.385,65 42.757,66 2.458,67 26.294,68 5.18,69 3.517,70 12.294,71 2.453,72 2.453,73 6.758,74 3.962,75 0.08,76 5.419,77 2.678,78 337.42,79 372.93,80 18.44,81 70,82 0.168,83 5.115,84 15.152,85 25.869,86 25.869,87 25.869,88 25.869,89 25.869,90 3.456,91 9.973,92 28.145,93 1.835,94 398.93,95 66,96 1.76,97 374.93,98 9.192,99 1.692,100 0.103,101 50.158,102 211.663,103 25.716,104 1.723,105 5.328,106 1.513,107 0.188,108 374.93,109 12.092,110 2817.29,111 1.812,112 3.093,113 0.439,114 5.161,115 195.421,116 626.623,117 46979.3,118 1.915,119 23447,120 8.389,121 23.698,122 0.113,123 4.758,124 11.726,125 1249,126 3.505,127 26.648,128 3.668,129 2.266,130 1,131 9.323,132 2.809,133 2.809,134 14.104,135 4.371,136 1.912,137 1.912,138 5.212,139 5.757}
{0 CHEMBL2179813,1 1.064,2 1.509,3 138.7,4 2.915,5 1.512,6 2.941,7 1.582,8 72.407,9 1.153,10 1.251,11 3.111,12 0.825,13 2.288,14 3.206,15 1.429,16 1.507,17 1.564,18 4.196,19 5.048,20 1,21 5.687,22 2,23 4.86,24 25.132,25 1,26 1,27 4.177,28 39.777,29 2.145,30 2.145,31 0.963,32 4.423,33 2.07,34 43.086,35 1.003,36 5.257,37 5.572,38 74.889,39 3.802,41 21.902,42 1,43 1,44 4.148,45 4.287,46 244.085,47 2.649,48 3.78,49 1.531,50 1.889,51 3.43,52 1.965,53 3.532,54 4.228,55 4.296,56 432.04,57 5.247,58 0.083,59 3.655,60 3.461,61 65.97,62 1,63 3.647,64 5.389,65 40.901,66 2.4,67 24.363,68 5.067,69 3.37,70 12.209,71 2.404,72 2.404,73 7.085,74 4.287,75 0.086,76 5.496,77 2.44,78 310.117,79 351.91,80 17.046,81 70,82 0.181,83 5.184,84 14.13,85 24.007,86 24.007,87 24.007,88 24.007,89 24.007,90 3.446,91 9.923,92 26.353,93 1.626,94 398.93,95 66,96 1.787,97 364.93,98 8.976,99 1.688,100 0.111,101 38.49,102 187.613,103 23.654,104 1.722,105 5.424,106 1.513,107 0.195,108 364.93,109 12.013,110 2247.82,111 1.81,112 2.949,113 0.659,114 5.16,115 175.525,116 604.797,117 34196.9,118 1.908,119 17674,120 7.722,121 27.295,122 0.122,123 4.464,124 11.583,125 981,126 3.445,127 24.363,128 3.589,129 1.964,130 1,131 9.84,132 2.828,133 2.828,134 13.033,135 4.389,136 1.673,137 1.673,138 5.096,139 4.963}
{0 CHEMBL2179814,1 1.113,2 1.546,3 136.497,4 3.038,5 1.564,6 3.02,7 1.584,8 71.322,9 1.165,10 1.308,11 3.25,12 0.869,13 2.07,14 3.303,15 1.42,16 1.38,17 1.638,18 4.195,19 5.01,20 0.772,21 5.624,22 1.765,23 4.812,24 24.097,25 0.809,26 0.809,27 4.108,28 41.666,29 0.791,30 0.791,31 0.618,32 4.399,33 2,34 42.086,35 0.618,36 5.204,37 5.517,38 73.889,39 3.756,41 21.074,42 0.618,43 0.618,44 4.147,45 4.259,46 246.26,47 2.608,48 3.734,49 1.722,50 1.882,51 3.407,52 1.618,53 3.532,54 4.154,55 4.253,56 427.1,57 5.205,58 0.087,59 3.578,60 3.453,61 64.97,62 0.757,63 3.588,64 5.434,65 39.901,66 2.367,67 23.534,68 5.006,69 3.321,70 11.623,71 2.146,72 2.146,73 6.466,74 4.287,75 0.091,76 5.441,77 2.433,78 319.189,79 344.434,80 16.46,81 68,82 0.191,83 5.102,84 13.44,85 23.179,86 23.179,87 23.179,88 23.179,89 23.179,90 2.691,91 9.465,92 24.274,93 1.585,94 391.454,95 65,96 1.78,97 351.944,98 8.897,99 1.659,100 0.117,101 36.426,102 180.215,103 24.06,104 1.725,105 5.337,106 1.514,107 0.203,108 351.944,109 11.344,110 2087.16,111 1.809,112 3.04,113 0.442,114 5.2,115 168.974,116 614.844,117 31025,118 1.885,119 14958,120 7.722,121 26.593,122 0.129,123 4.26,124 12.083,125 870,126 3.418,127 24.242,128 3.561,129 1.962,130 1,131 9.131,132 2.825,133 2.825,134 12.627,135 4.319,136 1.635,137 1.635,138 5.054,139 4}
{0 CHEMBL2179815,1 0.963,2 1.328,3 136.716,4 2.887,5 1.364,6 2.882,7 1.555,8 71.454,9 1.022,10 1.093,11 3.056,12 0.781,13 2.07,14 3.138,15 1.291,16 1.246,17 1.538,18 4.194,19 4.882,20 0.773,21 5.617,22 1.766,23 4.712,24 22.955,25 0.811,26 0.811,27 4.03,28 29.904,29 0.99,30 0.99,31 0.405,32 4.278,33 2,34 36.614,35 0.5,36 5.198,37 5.509,38 64.663,39 3.62,41 20.281,42 0.428,43 0.428,44 4.146,45 4.153,46 230.893,47 2.655,48 3.648,49 1.512,50 1.748,51 3.396,52 1.394,53 3.532,54 4.012,55 4.25,56 393.41,57 5.034,58 0.087,59 3.389,60 3.455,61 57.858,62 0.866,63 3.389,64 5.215,65 36.47,66 2.419,67 23.012,68 4.989,69 3.312,70 10.3,71 2.147,72 2.147,73 5.594,74 3.228,75 0.091,76 5.244,77 2.434,78 280.947,79 304.457,80 16.175,81 59,82 0.191,83 4.965,84 12.844,85 22.386,86 22.386,87 22.386,88 22.386,89 22.386,90 3.189,91 8.346,92 23.868,93 1.624,94 325.212,95 56,96 1.685,97 306.457,98 8.894,99 1.477,100 0.117,101 36.952,102 180.446,103 23.871,104 1.664,105 5.176,106 1.336,107 0.205,108 306.457,109 10.193,110 2096.37,111 1.722,112 2.939,113 0.305,114 5.014,115 168.219,116 540.93,117 31235,118 1.789,119 15074,120 7.347,121 20.208,122 0.129,123 4.245,124 9.929,125 872,126 3.503,127 24.457,128 3.561,129 1.968,130 1,131 7.613,132 2.888,133 2.888,134 13.092,135 4.167,136 1.689,137 1.689,138 5.053,139 4.441}
{0 CHEMBL2179816,1 1.115,2 1.544,3 156.926,4 3.041,5 1.56,6 3.021,7 1.698,8 82.285,9 1.162,10 1.307,11 3.246,12 0.901,13 2.458,14 3.293,15 1.389,16 1.417,17 1.703,18 4.197,19 5.041,20 1.009,21 5.733,22 2.014,23 4.86,24 26.841,25 1,26 1,27 4.23,28 41.864,29 2.419,30 2.419,31 1,32 4.458,33 2.427,34 46.086,35 1.379,36 5.318,37 5.617,38 77.889,39 3.867,41 22.858,42 1,43 1,44 4.149,45 4.327,46 271.714,47 2.874,48 3.847,49 1.722,50 1.891,51 3.578,52 2,53 3.533,54 4.271,55 4.371,56 465.12,57 5.263,58 0.077,59 3.661,60 3.597,61 68.97,62 1.019,63 3.65,64 5.461,65 43.901,66 2.47,67 26.017,68 5.171,69 3.527,70 12.62,71 2.48,72 2.48,73 6.98,74 4.239,75 0.08,76 5.493,77 2.616,78 351.978,79 381.978,80 18.351,81 73,82 0.168,83 5.145,84 14.852,85 25.662,86 25.662,87 25.662,88 25.662,89 25.662,90 3.465,91 10.227,92 27.857,93 1.834,94 421.488,95 69,96 1.775,97 383.978,98 9.199,99 1.69,100 0.103,101 46.989,102 210.599,103 25.778,104 1.79,105 5.356,106 1.514,107 0.189,108 383.978,109 12.282,110 2779.73,111 1.815,112 3.148,113 0.469,114 5.229,115 191.421,116 653.622,117 45662.9,118 1.91,119 22519,120 8.333,121 26.239,122 0.113,123 4.671,124 12.917,125 1185,126 3.518,127 26.811,128 3.668,129 2.265,130 1,131 9.937,132 2.84,133 2.84,134 14.086,135 4.437,136 1.91,137 1.91,138 5.213,139 6.253}
{0 CHEMBL2179817,1 1.185,2 1.573,3 162.061,4 3.062,5 1.569,6 3.039,7 1.7,8 85.015,9 1.265,10 1.33,11 3.288,12 0.908,13 2.458,14 3.376,15 1.528,16 1.512,17 1.703,18 4.197,19 5.095,20 1.063,21 5.768,22 2.065,23 4.906,24 27.623,25 1.068,26 1.068,27 4.263,28 45.793,29 2.449,30 2.449,31 1,32 4.497,33 2.429,34 47.847,35 1.382,36 5.366,37 5.645,38 81.305,39 3.898,41 23.459,42 1,43 1,44 4.15,45 4.365,46 280.504,47 2.875,48 3.875,49 1.722,50 1.892,51 3.578,52 2,53 3.557,54 4.304,55 4.393,56 482.42,57 5.326,58 0.075,59 3.661,60 3.62,61 71.854,62 1.024,63 3.651,64 5.549,65 45.428,66 2.524,67 26.62,68 5.202,69 3.532,70 13.001,71 2.564,72 2.564,73 7.381,74 4.414,75 0.078,76 5.549,77 2.672,78 369.97,79 399.97,80 18.778,81 76,82 0.164,83 5.179,84 15.038,85 26.214,86 26.214,87 26.214,88 26.214,89 26.214,90 3.478,91 10.513,92 28.263,93 1.834,94 444.235,95 72,96 3.423,97 401.97,98 9.279,99 1.691,100 0.1,101 47.006,102 217.228,103 26.738,104 1.797,105 5.386,106 1.603,107 0.188,108 401.97,109 12.6,110 2925.41,111 1.823,112 3.17,113 0.654,114 5.316,115 200.131,116 682.445,117 48565.3,118 1.911,119 23594,120 8.556,121 28.263,122 0.111,123 4.68,124 13.867,125 1212,126 3.574,127 27.681,128 3.693,129 2.265,130 2,131 10.269,132 2.866,133 2.866,134 14.467,135 4.488,136 1.911,137 1.911,138 5.252,139 4}
{0 CHEMBL2179818,1 1.116,2 1.551,3 162.312,4 3.046,5 1.577,6 3.025,7 1.719,8 85.166,9 1.162,10 1.313,11 3.251,12 0.902,13 2.5,14 3.295,15 1.41,16 1.417,17 1.747,18 4.197,19 5.089,20 1.009,21 5.756,22 2.014,23 4.903,24 27.678,25 1,26 1,27 4.258,28 44.022,29 2.423,30 2.423,31 1,32 4.497,33 2.429,34 47.847,35 1.384,36 5.333,37 5.638,38 81.305,39 3.903,41 23.272,42 1,43 1,44 4.15,45 4.365,46 282.715,47 2.888,48 3.879,49 1.788,50 1.894,51 3.596,52 2,53 3.602,54 4.304,55 4.396,56 482.42,57 5.291,58 0.075,59 3.671,60 3.602,61 71.854,62 1.184,63 3.661,64 5.497,65 45.428,66 2.476,67 26.724,68 5.21,69 3.528,70 13.122,71 2.521,72 2.521,73 7.115,74 4.516,75 0.078,76 5.524,77 2.616,78 371.97,79 401.97,80 18.851,81 76,82 0.164,83 5.177,84 15.457,85 26.369,86 26.369,87 26.369,88 26.369,89 26.369,90 3.47,91 10.634,92 28.55,93 1.847,94 444.235,95 72,96 1.838,97 403.97,98 9.273,99 1.695,100 0.1,101 50.323,102 218.142,103 26.738,104 1.81,105 5.391,106 1.514,107 0.187,108 403.97,109 12.734,110 2962.11,111 1.848,112 3.156,113 0.611,114 5.267,115 200.131,116 679.699,117 49770.2,118 1.913,119 24194,120 8.583,121 27.986,122 0.111,123 4.756,124 13.75,125 1258,126 3.523,127 27.518,128 3.693,129 2.268,130 1,131 10.519,132 2.843,133 2.843,134 14.472,135 4.466,136 1.923,137 1.923,138 5.25,139 4}
{0 CHEMBL2179819,1 1.115,2 1.548,3 162.061,4 3.043,5 1.572,6 3.023,7 1.719,8 85.015,9 1.162,10 1.311,11 3.248,12 0.902,13 2.5,14 3.294,15 1.39,16 1.417,17 1.747,18 4.197,19 5.089,20 1.009,21 5.771,22 2.014,23 4.903,24 27.616,25 1,26 1,27 4.266,28 42.977,29 2.425,30 2.425,31 1,32 4.497,33 2.429,34 47.847,35 1.384,36 5.338,37 5.642,38 81.305,39 3.903,41 23.103,42 1,43 1,44 4.15,45 4.365,46 282.715,47 2.999,48 3.879,49 1.788,50 1.895,51 3.596,52 2,53 3.609,54 4.309,55 4.393,56 482.42,57 5.325,58 0.075,59 3.679,60 3.616,61 71.854,62 1.184,63 3.668,64 5.486,65 45.428,66 2.539,67 26.357,68 5.202,69 3.528,70 13.026,71 2.56,72 2.56,73 7.146,74 4.426,75 0.078,76 5.562,77 2.643,78 369.97,79 399.97,80 18.723,81 76,82 0.164,83 5.179,84 14.992,85 25.999,86 25.999,87 25.999,88 25.999,89 25.999,90 3.484,91 10.534,92 28.263,93 1.944,94 444.235,95 72,96 1.812,97 401.97,98 9.274,99 1.698,100 0.1,101 49.325,102 217.908,103 26.738,104 1.808,105 5.385,106 1.514,107 0.188,108 401.97,109 12.614,110 2950.13,111 1.844,112 3.153,113 0.592,114 5.261,115 198.131,116 679.699,117 49440.9,118 1.914,119 24030,120 8.444,121 28.002,122 0.111,123 4.719,124 13.833,125 1222,126 3.583,127 27.681,128 3.693,129 2.307,130 1,131 10.521,132 2.877,133 2.877,134 14.472,135 4.477,136 2.042,137 2.042,138 5.251,139 4}
{0 CHEMBL2179820,1 1.117,2 1.554,3 167.698,4 3.054,5 1.583,6 3.029,7 1.721,8 88.048,9 1.162,10 1.316,11 3.256,12 0.924,13 2.5,14 3.298,15 1.421,16 1.417,17 1.748,18 4.197,19 5.134,20 1.009,21 5.778,22 2.014,23 4.943,24 28.453,25 1,26 1,27 4.292,28 46.171,29 2.436,30 2.436,31 1,32 4.535,33 2.431,34 49.608,35 1.392,36 5.347,37 5.659,38 84.72,39 3.938,41 23.59,42 1,43 1,44 4.15,45 4.401,46 291.08,47 3.101,48 3.91,49 1.789,50 1.903,51 3.596,52 2,53 3.662,54 4.341,55 4.418,56 499.72,57 5.358,58 0.073,59 3.691,60 3.739,61 74.738,62 1.184,63 3.682,64 5.532,65 46.955,66 2.506,67 27.009,68 5.24,69 3.528,70 13.5,71 2.716,72 2.716,73 7.218,74 4.655,75 0.076,76 5.603,77 2.802,78 382.142,79 412.142,80 19.206,81 79,82 0.16,83 5.21,84 15.502,85 26.654,86 26.654,87 26.654,88 26.654,89 26.654,90 3.585,91 10.912,92 28.956,93 2.065,94 467.161,95 75,96 1.859,97 414.142,98 9.346,99 1.707,100 0.098,101 53.3,102 225.626,103 27.7,104 1.812,105 5.418,106 1.514,107 0.186,108 414.142,109 13.029,110 3142.65,111 1.912,112 3.165,113 0.617,114 5.303,115 204.877,116 705.775,117 53947.1,118 1.918,119 25873,120 8.667,121 29.698,122 0.108,123 4.814,124 14.667,125 1297,126 3.547,127 28.388,128 3.718,129 2.437,130 1,131 11.098,132 2.852,133 2.852,134 14.853,135 4.509,136 2.128,137 2.128,138 5.286,139 4}
{0 CHEMBL2179821,1 1.116,2 1.551,3 167.918,4 3.048,5 1.579,6 3.025,7 1.72,8 88.18,9 1.162,10 1.312,11 3.254,12 0.902,13 2.5,14 3.296,15 1.409,16 1.417,17 1.747,18 4.197,19 5.096,20 1.009,21 5.775,22 2.014,23 4.918,24 28.196,25 1,26 1,27 4.271,28 44.48,29 2.425,30 2.425,31 1,32 4.513,33 2.43,34 48.302,35 1.388,36 5.342,37 5.652,38 82.514,39 3.908,41 24.142,42 1,43 1,44 4.15,45 4.385,46 295.99,47 2.896,48 3.892,49 1.784,50 1.893,51 3.596,52 2,53 3.614,54 4.311,55 4.42,56 491.21,57 5.304,58 0.073,59 3.672,60 3.605,61 73.181,62 1.184,63 3.66,64 5.508,65 46.143,66 2.478,67 27.47,68 5.248,69 3.528,70 13.248,71 2.559,72 2.559,73 7.171,74 4.45,75 0.076,76 5.534,77 2.617,78 382.347,79 412.347,80 19.351,81 77,82 0.16,83 5.196,84 15.982,85 27.076,86 27.076,87 27.076,88 27.076,89 27.076,90 3.475,91 10.736,92 29.244,93 1.854,94 451.857,95 73,96 1.747,97 414.347,98 9.345,99 1.695,100 0.098,101 54.363,102 225.851,103 27.663,104 1.796,105 5.41,106 1.514,107 0.185,108 414.347,109 12.917,110 3154.95,111 1.819,112 3.162,113 0.608,114 5.281,115 204.877,116 701.786,117 54285.8,118 1.913,119 26041,120 8.833,121 28.011,122 0.108,123 4.849,124 13.45,125 1338,126 3.524,127 28.225,128 3.718,129 2.273,130 1,131 10.565,132 2.843,133 2.843,134 14.845,135 4.475,136 1.931,137 1.931,138 5.285,139 4.187}
{0 CHEMBL2179822,1 1.206,2 1.597,3 173.718,4 3.112,5 1.615,6 3.089,7 1.721,8 91.309,9 1.283,10 1.333,11 3.311,12 0.924,13 2.5,14 3.386,15 1.536,16 1.514,17 1.748,18 4.197,19 5.164,20 1.061,21 5.787,22 2.07,23 4.97,24 29.127,25 1.099,26 1.099,27 4.301,28 46.555,29 2.443,30 2.443,31 1.009,32 4.568,33 2.432,34 50.614,35 1.396,36 5.352,37 5.663,38 87.218,39 3.948,41 24.849,42 1,43 1,44 4.15,45 4.43,46 306.25,47 2.901,48 3.924,49 1.789,50 1.899,51 3.596,52 2.014,53 3.653,54 4.348,55 4.444,56 510.72,57 5.352,58 0.072,59 3.676,60 3.612,61 76.839,62 1.184,63 3.664,64 5.549,65 47.976,66 2.478,67 28.229,68 5.286,69 3.528,70 13.778,71 2.675,72 2.675,73 7.388,74 4.725,75 0.074,76 5.591,77 2.636,78 408.278,79 438.278,80 19.851,81 81,82 0.157,83 5.24,84 16.482,85 27.783,86 27.783,87 27.783,88 27.783,89 27.783,90 3.506,91 11.181,92 29.937,93 1.86,94 482.543,95 77,96 1.844,97 440.278,98 9.414,99 1.697,100 0.096,101 58.681,102 233.71,103 28.626,104 1.812,105 5.46,106 1.601,107 0.183,108 440.278,109 13.385,110 3358.47,111 1.865,112 3.203,113 0.656,114 5.316,115 211.66,116 722.929,117 59224.7,118 1.917,119 28064,120 9.083,121 30.666,122 0.106,123 4.946,124 14.5,125 1420,126 3.524,127 28.932,128 3.741,129 2.273,130 1,131 10.906,132 2.843,133 2.843,134 15.217,135 4.514,136 1.937,137 1.937,138 5.319,139 5.121}
{0 CHEMBL2179823,1 1.248,2 1.732,3 194.129,4 3.125,5 1.714,6 3.092,7 1.734,8 102.261,9 1.311,10 1.535,11 3.327,12 0.925,13 2.565,14 3.409,15 1.549,16 1.514,17 1.749,18 4.199,19 5.308,20 1.209,21 5.852,22 2.216,23 5.11,24 32.393,25 1.231,26 1.231,27 4.418,28 53.86,29 2.834,30 2.834,31 1.147,32 4.684,33 2.5,34 56.143,35 1.5,36 5.407,37 5.72,38 97.547,39 4.053,41 27.703,42 1.187,43 1.187,44 4.152,45 4.544,46 332.884,47 3.215,48 4.029,49 1.79,50 2.006,51 3.61,52 2.156,53 3.782,54 4.468,55 4.543,56 561.26,57 5.496,58 0.065,59 3.698,60 3.744,61 85.708,62 1.314,63 3.686,64 5.695,65 53.051,66 2.481,67 31.184,68 5.431,69 3.558,70 15.553,71 2.977,72 2.977,73 8.639,74 5.4,75 0.067,76 5.747,77 2.889,78 444.129,79 493.149,80 21.868,81 91,82 0.141,83 5.399,84 18.1,85 30.637,86 30.637,87 30.637,88 30.637,89 30.637,90 3.651,91 12.587,92 33.808,93 2.19,94 552.659,95 86,96 4.224,97 495.149,98 9.676,99 1.721,100 0.086,101 73.982,102 265.292,103 31.064,104 1.815,105 5.631,106 1.749,107 0.172,108 495.149,109 15.186,110 4213.52,111 1.991,112 3.247,113 0.825,114 5.445,115 235.133,116 784.935,117 81245.6,118 1.999,119 39337,120 9.833,121 35.922,122 0.095,123 5.375,124 15.7,125 1740,126 3.53,127 31.338,128 3.832,129 2.437,130 2,131 12.193,132 2.844,133 2.844,134 16.746,135 4.646,136 2.232,137 2.232,138 5.452,139 4}
{0 CHEMBL2179824,1 0.878,2 1.318,3 125.863,4 2.79,5 1.297,6 2.779,7 1.498,8 65.985,9 0.936,10 1.008,11 3.022,12 0.658,13 2,14 3.111,15 1.245,16 1.181,17 1.386,18 4.191,19 4.775,20 0.194,21 5.561,22 1.231,23 4.618,24 20.888,25 0.188,26 0.188,27 3.929,28 28.744,29 0.086,30 0.086,31 0.028,32 4.171,33 1.274,34 32.847,35 0.037,36 5.147,37 5.442,38 57.749,39 3.512,41 18.458,42 0.031,43 0.031,44 4.143,45 4.054,46 208.909,47 2.454,48 3.552,49 1.334,50 1.704,51 3.375,52 0.925,53 3.416,54 3.902,55 4.163,56 350.45,57 4.93,58 0.095,59 3.388,60 3.129,61 51.872,62 0.533,63 3.388,64 5.158,65 32.922,66 2.309,67 21.233,68 4.859,69 3.29,70 9.303,71 0.249,72 0.249,73 5.108,74 2.894,75 0.098,76 5.139,77 2.424,78 245.438,79 257.438,80 14.764,81 53,82 0.207,83 4.809,84 11.733,85 20.472,86 20.472,87 20.472,88 20.472,89 20.472,90 2.623,91 7.559,92 22.076,93 1.418,94 282.193,95 50,96 1.697,97 257.438,98 8.619,99 1.474,100 0.127,101 32.395,102 159.576,103 21.29,104 1.511,105 5.01,106 1.229,107 0.213,108 257.438,109 9.22,110 1696.32,111 1.722,112 2.838,113 0.218,114 4.94,115 144.825,116 482.537,117 23548,118 1.705,119 11909,120 6.653,121 18.144,122 0.14,123 4.046,124 8.929,125 747,126 3.44,127 22.173,128 3.472,129 1.808,130 1,131 6.801,132 2.867,133 2.867,134 12.04,135 4.061,136 1.518,137 1.518,138 4.919,139 4.669}
{0 CHEMBL2179825,1 0.905,2 1.322,3 119.938,4 2.793,5 1.298,6 2.788,7 1.509,8 62.439,9 0.989,10 1.028,11 3.026,12 0.659,13 2,14 3.117,15 1.249,16 1.166,17 1.388,18 4.191,19 4.775,20 0.194,21 5.549,22 1.231,23 4.618,24 20.888,25 0.188,26 0.188,27 3.929,28 28.618,29 -0.29,30 -0.29,31 -0.086,32 4.171,33 1.127,34 32.847,35 -0.117,36 5.159,37 5.455,38 57.749,39 3.512,41 18.458,42 -0.101,43 -0.101,44 4.143,45 4.054,46 208.909,47 2.447,48 3.552,49 1.335,50 1.704,51 3.381,52 0.775,53 3.413,54 3.902,55 4.163,56 350.45,57 4.93,58 0.095,59 3.388,60 3.091,61 51.872,62 0.51,63 3.388,64 5.157,65 32.922,66 2.287,67 21.233,68 4.859,69 3.295,70 9.303,71 0.249,72 0.249,73 5.088,74 2.894,75 0.098,76 5.139,77 2.422,78 249.438,79 265.438,80 14.764,81 53,82 0.207,83 4.809,84 11.774,85 20.472,86 20.472,87 20.472,88 20.472,89 20.472,90 2.623,91 7.56,92 22.076,93 1.415,94 282.193,95 50,96 1.677,97 265.438,98 8.637,99 1.474,100 0.127,101 29.607,102 158.482,103 21.29,104 1.512,105 5.01,106 1.242,107 0.213,108 265.438,109 9.219,110 1652.92,111 1.722,112 2.838,113 0.171,114 4.946,115 148.825,116 482.537,117 22732.6,118 1.704,119 11449,120 6.653,121 18.144,122 0.14,123 4.002,124 8.929,125 704,126 3.443,127 22.173,128 3.473,129 1.806,130 1,131 6.801,132 2.868,133 2.868,134 12.091,135 4.061,136 1.505,137 1.505,138 4.922,139 5.178}
{0 CHEMBL2179826,1 0.943,2 1.485,3 116.411,4 2.826,5 1.468,6 2.83,7 1.523,8 60.675,9 1.029,10 1.183,11 3.042,12 0.659,13 1.864,14 3.134,15 1.321,16 1.333,17 1.539,18 4.192,19 4.822,20 0.282,21 5.545,22 1.231,23 4.642,24 20.949,25 0.334,26 0.334,27 3.945,28 33.891,29 0.249,30 0.249,31 0.194,32 4.228,33 1.453,34 35.25,35 0.321,36 5.165,37 5.476,38 61.355,39 3.566,41 18.596,42 0.188,43 0.188,44 4.144,45 4.105,46 213.754,47 2.464,48 3.575,49 1.571,50 1.704,51 3.314,52 1.184,53 3.329,54 3.948,55 4.136,56 358.33,57 4.988,58 0.098,59 3.388,60 2.702,61 54.545,62 0.757,63 3.388,64 5.245,65 34.014,66 2.236,67 21.277,68 4.828,69 3.247,70 9.489,71 0.445,72 0.445,73 5.404,74 3.072,75 0.102,76 5.194,77 2.427,78 264.499,79 279.254,80 14.566,81 57,82 0.214,83 4.848,84 11.847,85 20.61,86 20.61,87 20.61,88 20.61,89 20.61,90 2.623,91 7.685,92 21.789,93 1.427,94 310.764,95 54,96 1.787,97 283.254,98 8.545,99 1.474,100 0.131,101 27.547,102 151.248,103 20.479,104 1.576,105 5.04,106 1.502,107 0.214,108 281.254,109 9.252,110 1519.79,111 1.722,112 2.871,113 0.439,114 5.025,115 147.207,116 515.228,117 20277.3,118 1.706,119 10378,120 6.806,121 21.785,122 0.144,123 3.932,124 10.333,125 675,126 3.308,127 21.25,128 3.441,129 1.807,130 1,131 7.102,132 2.827,133 2.827,134 11.061,135 4.12,136 1.526,137 1.526,138 4.875,139 4.671}
{0 CHEMBL2179827,1 0.903,2 1.321,3 107.669,4 2.792,5 1.296,6 2.787,7 1.52,8 55.689,9 0.984,10 1.041,11 3.021,12 0.769,13 2,14 3.108,15 1.247,16 1.214,17 1.516,18 4.193,19 4.81,20 0.565,21 5.71,22 1.533,23 4.645,24 21.168,25 0.636,26 0.636,27 3.979,28 29.432,29 0.249,30 0.249,31 0.194,32 4.207,33 1.863,34 34.489,35 0.321,36 5.252,37 5.62,38 58.94,39 3.573,41 18.717,42 0.188,43 0.188,44 4.146,45 4.09,46 209.911,47 2.503,48 3.588,49 1.506,50 1.711,51 3.376,52 1.231,53 3.453,54 3.976,55 4.153,56 345.97,57 4.944,58 0.095,59 3.388,60 3.163,61 52.662,62 0.757,63 3.389,64 5.148,65 33.487,66 2.248,67 21.322,68 4.848,69 3.286,70 9.767,71 1.513,72 1.513,73 5.562,74 3.155,75 0.099,76 5.152,77 2.431,78 257.668,79 272.423,80 14.652,81 56,82 0.207,83 4.899,84 12.046,85 20.731,86 20.731,87 20.731,88 20.731,89 20.731,90 2.682,91 7.885,92 23.175,93 1.45,94 296.423,95 52,96 1.795,97 276.423,98 8.541,99 1.477,100 0.127,101 26.978,102 151.171,103 19.188,104 1.676,105 5.098,106 1.333,107 0.208,108 274.423,109 9.636,110 1520.47,111 1.723,112 2.838,113 0.252,114 4.928,115 147.207,116 479.105,117 20199.7,118 1.719,119 11289,120 6.556,121 20.356,122 0.14,123 4.047,124 9.333,125 702,126 3.322,127 20.665,128 3.442,129 1.867,130 1,131 7.211,132 2.835,133 2.835,134 11.101,135 4.129,136 1.579,137 1.579,138 4.876,139 5.079}
{0 CHEMBL2179828,1 0.849,2 1.318,3 107.064,4 2.758,5 1.295,6 2.746,7 1.432,8 55.78,9 0.926,10 1.013,11 2.983,12 0.662,13 1.644,14 3.084,15 1.244,16 1.197,17 1.433,18 4.192,19 4.732,20 0.194,21 5.412,22 1.231,23 4.554,24 19.623,25 0.188,26 0.188,27 3.907,28 29.49,29 -0.618,30 -0.618,31 -0.243,32 4.156,33 1.069,34 33.034,35 -0.332,36 5.075,37 5.361,38 56.73,39 3.528,41 17.226,42 -0.266,43 -0.266,44 4.144,45 4.027,46 204.139,47 2.428,48 3.524,49 1.445,50 1.705,51 3.278,52 0.65,53 3.329,54 3.931,55 4.072,56 332.24,57 4.935,58 0.104,59 3.388,60 2.623,61 50.334,62 -0.104,63 3.389,64 5.12,65 31.772,66 2.214,67 19.583,68 4.736,69 3.218,70 9.08,71 0.249,72 0.249,73 5.157,74 2.929,75 0.108,76 5.162,77 2.096,78 248.193,79 260.193,80 13.618,81 53,82 0.227,83 4.821,84 11.135,85 19.24,86 19.24,87 19.24,88 19.24,89 19.24,90 2.475,91 7.36,92 20.69,93 1.406,94 282.193,95 50,96 1.787,97 260.193,98 8.338,99 1.476,100 0.139,101 25.286,102 138.103,103 18.603,104 1.528,105 5.035,106 1.33,107 0.22,108 260.193,109 8.92,110 1305.43,111 1.722,112 2.838,113 0.218,114 4.887,115 130.606,116 481.007,117 16576.6,118 1.706,119 8852,120 6.278,121 18.979,122 0.154,123 3.837,124 8.783,125 627,126 3.252,127 19.673,128 3.376,129 1.584,130 1,131 6.763,132 2.663,133 2.663,134 10.342,135 4.089,136 1.457,137 1.457,138 4.773,139 5.981}
{0 CHEMBL2179829,1 0.893,2 1.321,3 107.064,4 2.784,5 1.296,6 2.78,7 1.481,8 55.78,9 0.974,10 1.029,11 3.007,12 0.657,13 1.644,14 3.101,15 1.246,16 1.211,17 1.494,18 4.19,19 4.731,20 0.194,21 5.412,22 1.231,23 4.547,24 19.51,25 0.188,26 0.188,27 3.866,28 27.664,29 -0.618,30 -0.618,31 -0.243,32 4.145,33 1.069,34 32.279,35 -0.332,36 5.075,37 5.361,38 55.813,39 3.484,41 17.226,42 -0.266,43 -0.266,44 4.14,45 4.016,46 199.695,47 2.427,48 3.496,49 1.503,50 1.703,51 3.305,52 0.649,53 3.321,54 3.869,55 4.072,56 325.94,57 4.887,58 0.104,59 3.388,60 2.623,61 49.552,62 -0.098,63 3.388,64 5.085,65 31.267,66 2.09,67 19.802,68 4.736,69 3.232,70 8.846,71 0.249,72 0.249,73 4.966,74 2.834,75 0.108,76 5.108,77 2.096,78 248.366,79 258.366,80 13.618,81 52,82 0.227,83 4.768,84 11.135,85 19.24,86 19.24,87 19.24,88 19.24,89 19.24,90 2.475,91 7.179,92 20.69,93 1.404,94 275.121,95 49,96 1.786,97 258.366,98 8.338,99 1.473,100 0.139,101 25.286,102 138.103,103 18.541,104 1.573,105 4.975,106 1.333,107 0.22,108 258.366,109 8.667,110 1305.43,111 1.721,112 2.838,113 0.243,114 4.858,115 134.606,116 468.716,117 16576.6,118 1.704,119 8852,120 6.278,121 18.941,122 0.154,123 3.837,124 9.117,125 627,126 3.202,127 19.673,128 3.376,129 1.59,130 1,131 6.1,132 2.663,133 2.663,134 10.314,135 4.023,136 1.457,137 1.457,138 4.773,139 4.64}
{0 CHEMBL2179830,1 0.894,2 1.321,3 107.064,4 2.786,5 1.296,6 2.781,7 1.506,8 55.78,9 0.974,10 1.03,11 3.008,12 0.664,13 1.644,14 3.101,15 1.246,16 1.213,17 1.508,18 4.191,19 4.756,20 0.194,21 5.412,22 1.231,23 4.558,24 19.608,25 0.188,26 0.188,27 3.879,28 28.792,29 -0.618,30 -0.618,31 -0.243,32 4.172,33 1.069,34 32.83,35 -0.332,36 5.075,37 5.361,38 57.102,39 3.502,41 17.226,42 -0.266,43 -0.266,44 4.141,45 4.03,46 202.012,47 2.428,48 3.504,49 1.504,50 1.706,51 3.36,52 0.651,53 3.351,54 3.894,55 4.072,56 328.15,57 4.904,58 0.104,59 3.388,60 2.623,61 50.327,62 -0.115,63 3.388,64 5.111,65 31.574,66 2.146,67 19.706,68 4.736,69 3.262,70 9,71 0.249,72 0.249,73 5.04,74 2.939,75 0.108,76 5.133,77 2.096,78 255.438,79 265.438,80 13.618,81 53,82 0.227,83 4.803,84 11.135,85 19.24,86 19.24,87 19.24,88 19.24,89 19.24,90 2.475,91 7.313,92 20.69,93 1.406,94 282.193,95 50,96 1.794,97 265.438,98 8.338,99 1.473,100 0.139,101 25.286,102 138.103,103 18.541,104 1.631,105 5.025,106 1.333,107 0.22,108 265.438,109 8.814,110 1305.43,111 1.722,112 2.838,113 0.252,114 4.877,115 134.606,116 470.754,117 16576.6,118 1.708,119 8852,120 6.278,121 19.385,122 0.154,123 3.837,124 9.2,125 627,126 3.222,127 19.673,128 3.376,129 1.555,130 1,131 6.08,132 2.663,133 2.663,134 10.32,135 4.049,136 1.457,137 1.457,138 4.773,139 4.986}
{0 CHEMBL2179831,1 0.722,2 1.247,3 95.185,4 2.667,5 1.24,6 2.638,7 1.297,8 49.355,9 0.833,10 0.978,11 2.949,12 0.645,13 1.069,14 3.061,15 1.184,16 1.122,17 1.322,18 4.188,19 4.63,20 -0.246,21 5.257,22 0.645,23 4.441,24 18.071,25 -0.269,26 -0.269,27 3.786,28 23.831,29 -1.42,30 -1.42,31 -0.549,32 4.055,33 0.829,34 29.307,35 -0.664,36 4.997,37 5.22,38 50.272,39 3.394,41 15.881,42 -0.589,43 -0.589,44 4.136,45 3.919,46 174.034,47 2.25,48 3.41,49 1.332,50 1.701,51 3.142,52 0.365,53 3.297,54 3.788,55 4.003,56 293.55,57 4.795,58 0.111,59 3.388,60 2.524,61 44.56,62 -0.319,63 3.388,64 4.965,65 28.52,66 1.836,67 18.378,68 4.637,69 3.057,70 8.186,71 -0.637,72 -0.637,73 4.581,74 2.582,75 0.115,76 5.027,77 2.095,78 210.215,79 220.215,80 12.686,81 47,82 0.243,83 4.683,84 10.55,85 17.922,86 17.922,87 17.922,88 17.922,89 17.922,90 2.473,91 6.658,92 19.592,93 1.223,94 240.215,95 44,96 1.782,97 222.215,98 8.134,99 1.469,100 0.149,101 20.888,102 124.238,103 16.615,104 1.504,105 4.896,106 1.206,107 0.226,108 222.215,109 8.062,110 1071.28,111 1.718,112 2.771,113 0.028,114 4.743,115 118.211,116 422.205,117 12843.2,118 1.699,119 7190,120 5.778,121 15.954,122 0.164,123 3.685,124 7.9,125 520,126 2.878,127 18.096,128 3.306,129 1.333,130 1,131 5.138,132 2.604,133 2.604,134 9.568,135 3.937,136 1.326,137 1.326,138 4.67,139 4.997}
{0 CHEMBL2180197,1 0.923,2 1.318,3 107.669,4 2.833,5 1.295,6 2.835,7 1.482,8 55.689,9 0.985,10 1.021,11 3.013,12 0.668,13 2.061,14 3.098,15 1.244,16 1.21,17 1.484,18 4.207,19 4.757,20 0.613,21 5.71,22 1.603,23 4.584,24 21.165,25 0.636,26 0.636,27 3.99,28 27.889,29 0.249,30 0.249,31 0.194,32 4.185,33 2,34 34.824,35 0.321,36 5.252,37 5.62,38 57.604,39 3.602,41 18.175,42 0.188,43 0.188,44 4.163,45 4.058,46 203.181,47 2.537,48 3.599,49 1.49,50 1.713,51 3.363,52 1.231,53 3.456,54 4.009,55 4.153,56 340.51,57 4.942,58 0.095,59 3.39,60 3.163,61 51.225,62 0.642,63 3.391,64 5.11,65 33.552,66 2.288,67 21.108,68 4.848,69 3.274,70 9.769,71 1.513,72 1.513,73 5.611,74 3.077,75 0.099,76 5.167,77 2.433,78 255.684,79 275.294,80 14.652,81 55,82 0.207,83 4.855,84 12.046,85 20.731,86 20.731,87 20.731,88 20.731,89 20.731,90 2.682,91 7.918,92 23.175,93 1.512,94 289.294,95 51,96 1.802,97 277.294,98 8.541,99 1.491,100 0.127,101 26.978,102 151.171,103 18.712,104 1.62,105 5.065,106 1.331,107 0.208,108 277.294,109 9.601,110 1520.47,111 1.724,112 2.858,113 0.244,114 4.887,115 147.207,116 475.165,117 20199.7,118 1.721,119 11289,120 6.556,121 18.084,122 0.14,123 4.047,124 9.2,125 702,126 3.335,127 20.665,128 3.442,129 1.618,130 1,131 6.782,132 2.835,133 2.835,134 11.074,135 4.159,136 1.579,137 1.579,138 4.876,139 5.008}
{0 CHEMBL2180198,1 0.912,2 1.32,3 107.669,4 2.805,5 1.296,6 2.804,7 1.49,8 55.689,9 0.997,10 1.049,11 3.026,12 0.666,13 2.061,14 3.112,15 1.247,16 1.232,17 1.495,18 4.208,19 4.757,20 0.615,21 5.71,22 1.604,23 4.584,24 21.165,25 0.636,26 0.636,27 3.99,28 28.141,29 0.249,30 0.249,31 0.194,32 4.185,33 2,34 34.824,35 0.321,36 5.252,37 5.62,38 57.604,39 3.602,41 18.175,42 0.188,43 0.188,44 4.165,45 4.058,46 203.181,47 2.524,48 3.599,49 1.499,50 1.711,51 3.368,52 1.231,53 3.454,54 4.009,55 4.153,56 340.51,57 4.94,58 0.095,59 3.389,60 3.163,61 51.225,62 0.642,63 3.39,64 5.121,65 33.552,66 2.283,67 21.117,68 4.848,69 3.28,70 9.769,71 1.513,72 1.513,73 5.623,74 3.077,75 0.099,76 5.162,77 2.432,78 257.684,79 277.294,80 14.652,81 55,82 0.207,83 4.855,84 12.046,85 20.731,86 20.731,87 20.731,88 20.731,89 20.731,90 2.682,91 7.916,92 23.175,93 1.488,94 289.294,95 51,96 1.806,97 277.294,98 8.541,99 1.486,100 0.127,101 26.978,102 151.171,103 18.712,104 1.626,105 5.065,106 1.333,107 0.208,108 277.294,109 9.601,110 1520.47,111 1.724,112 2.841,113 0.272,114 4.899,115 147.207,116 475.165,117 20199.7,118 1.719,119 11289,120 6.556,121 18.084,122 0.14,123 4.047,124 9.2,125 702,126 3.333,127 20.665,128 3.442,129 1.618,130 1,131 6.782,132 2.835,133 2.835,134 11.072,135 4.163,136 1.579,137 1.579,138 4.876,139 5.127}
{0 CHEMBL2180199,1 0.911,2 1.323,3 104.445,4 2.799,5 1.298,6 2.797,7 1.514,8 53.794,9 0.998,10 1.057,11 3.03,12 0.667,13 2.054,14 3.122,15 1.25,16 1.233,17 1.51,18 4.214,19 4.757,20 0.631,21 5.72,22 1.619,23 4.584,24 21.165,25 0.659,26 0.659,27 3.99,28 28.795,29 0.249,30 0.249,31 0.194,32 4.185,33 2,34 34.824,35 0.321,36 5.298,37 5.628,38 57.604,39 3.602,41 18.207,42 0.188,43 0.188,44 4.172,45 4.058,46 203.181,47 2.529,48 3.599,49 1.501,50 1.709,51 3.381,52 1.231,53 3.449,54 4.009,55 4.153,56 340.51,57 4.942,58 0.096,59 3.389,60 3.253,61 51.225,62 0.677,63 3.39,64 5.151,65 33.552,66 2.164,67 21.169,68 4.848,69 3.291,70 9.775,71 1.633,72 1.633,73 5.651,74 3.084,75 0.099,76 5.156,77 2.432,78 255.684,79 275.294,80 14.669,81 55,82 0.209,83 4.855,84 12.112,85 20.784,86 20.784,87 20.784,88 20.784,89 20.784,90 2.623,91 7.922,92 23.175,93 1.498,94 289.294,95 51,96 1.806,97 277.294,98 8.553,99 1.483,100 0.128,101 25.111,102 150.173,103 18.712,104 1.628,105 5.065,106 1.333,107 0.208,108 277.294,109 9.61,110 1484.56,111 1.723,112 2.838,113 0.259,114 4.933,115 147.207,116 475.165,117 19544.7,118 1.713,119 10829,120 6.583,121 18.084,122 0.141,123 3.992,124 9.2,125 661,126 3.211,127 20.665,128 3.442,129 1.618,130 1,131 6.782,132 2.83,133 2.83,134 11.074,135 4.168,136 1.578,137 1.578,138 4.878,139 4.69}
{0 CHEMBL2180200,1 0.897,2 1.322,3 113.123,4 2.789,5 1.296,6 2.784,7 1.482,8 59.062,9 0.978,10 1.035,11 3.013,12 0.709,13 2,14 3.104,15 1.247,16 1.213,17 1.512,18 4.192,19 4.747,20 0.194,21 5.481,22 1.231,23 4.575,24 20.388,25 0.188,26 0.188,27 3.946,28 30.073,29 -0.617,30 -0.617,31 -0.239,32 4.163,33 1.077,34 34.682,35 -0.326,36 5.112,37 5.416,38 57.65,39 3.607,41 17.419,42 -0.261,43 -0.261,44 4.146,45 4.044,46 206.274,47 2.432,48 3.57,49 1.505,50 1.706,51 3.367,52 0.661,53 3.441,54 3.996,55 4.102,56 350.75,57 4.939,58 0.101,59 3.389,60 2.623,61 51.411,62 0.617,63 3.406,64 5.154,65 32.96,66 2.204,67 20.18,68 4.777,69 3.283,70 9.334,71 0.249,72 0.249,73 6.143,74 2.94,75 0.105,76 5.152,77 2.172,78 252.539,79 264.539,80 13.99,81 54,82 0.22,83 4.84,84 11.272,85 19.577,86 19.577,87 19.577,88 19.577,89 19.577,90 2.593,91 7.423,92 21.096,93 1.409,94 289.294,95 51,96 1.782,97 264.539,98 8.437,99 1.479,100 0.135,101 27.025,102 145.06,103 19.745,104 1.55,105 5.039,106 1.333,107 0.218,108 264.539,109 8.968,110 1424.98,111 1.722,112 2.838,113 0.267,114 4.923,115 136.881,116 496.94,117 18628.1,118 1.704,119 9747,120 6.389,121 21.889,122 0.149,123 3.894,124 9.417,125 654,126 3.342,127 20.543,128 3.409,129 1.809,130 1,131 7.931,132 2.767,133 2.767,134 10.754,135 4.142,136 1.463,137 1.463,138 4.824,139 4.66}
{0 CHEMBL2180201,1 0.896,2 1.322,3 107.064,4 2.785,5 1.296,6 2.781,7 1.483,8 55.78,9 0.978,10 1.034,11 3.011,12 0.659,13 1.644,14 3.104,15 1.247,16 1.213,17 1.497,18 4.191,19 4.74,20 0.194,21 5.412,22 1.231,23 4.56,24 19.64,25 0.188,26 0.188,27 3.891,28 29.531,29 -0.618,30 -0.618,31 -0.243,32 4.155,33 1.069,34 33.034,35 -0.332,36 5.075,37 5.361,38 56.73,39 3.518,41 17.226,42 -0.266,43 -0.266,44 4.143,45 4.027,46 199.173,47 2.428,48 3.518,49 1.506,50 1.704,51 3.305,52 0.65,53 3.322,54 3.906,55 4.072,56 332.24,57 4.907,58 0.104,59 3.388,60 2.623,61 50.334,62 -0.098,63 3.388,64 5.132,65 31.772,66 2.135,67 19.741,68 4.736,69 3.232,70 9.002,71 0.249,72 0.249,73 5.11,74 2.912,75 0.108,76 5.127,77 2.096,78 245.438,79 257.438,80 13.618,81 53,82 0.227,83 4.796,84 11.135,85 19.24,86 19.24,87 19.24,88 19.24,89 19.24,90 2.475,91 7.298,92 20.69,93 1.405,94 282.193,95 50,96 1.798,97 257.438,98 8.338,99 1.474,100 0.139,101 25.286,102 138.103,103 18.603,104 1.574,105 5.003,106 1.333,107 0.22,108 257.438,109 8.809,110 1305.43,111 1.722,112 2.838,113 0.251,114 4.897,115 128.606,116 474.036,117 16576.6,118 1.704,119 8852,120 6.278,121 19.476,122 0.154,123 3.837,124 9.25,125 627,126 3.219,127 19.673,128 3.376,129 1.59,130 1,131 6.647,132 2.663,133 2.663,134 10.324,135 4.064,136 1.457,137 1.457,138 4.773,139 5.354}
{0 CHEMBL2180202,1 0.906,2 1.323,3 104.532,4 2.793,5 1.298,6 2.788,7 1.493,8 54.25,9 0.992,10 1.056,11 3.025,12 0.659,13 1.583,14 3.116,15 1.25,16 1.24,17 1.508,18 4.191,19 4.74,20 0.194,21 5.412,22 1.231,23 4.56,24 19.64,25 0.188,26 0.188,27 3.891,28 29.634,29 -0.638,30 -0.638,31 -0.246,32 4.155,33 1.069,34 33.034,35 -0.338,36 5.088,37 5.347,38 56.73,39 3.518,41 17.226,42 -0.269,43 -0.269,44 4.143,45 4.027,46 199.173,47 2.429,48 3.518,49 1.509,50 1.704,51 3.309,52 0.647,53 3.315,54 3.906,55 4.072,56 332.24,57 4.907,58 0.104,59 3.388,60 2.623,61 50.334,62 -0.12,63 3.388,64 5.13,65 31.772,66 2.063,67 19.741,68 4.736,69 3.239,70 9.002,71 0.249,72 0.249,73 5.09,74 2.912,75 0.108,76 5.127,77 2.193,78 249.438,79 265.438,80 13.618,81 53,82 0.227,83 4.796,84 11.175,85 19.24,86 19.24,87 19.24,88 19.24,89 19.24,90 2.582,91 7.3,92 20.69,93 1.406,94 282.193,95 50,96 1.796,97 265.438,98 8.348,99 1.474,100 0.139,101 24.143,102 137.581,103 18.603,104 1.573,105 5.003,106 1.335,107 0.22,108 265.438,109 8.809,110 1283.12,111 1.722,112 2.838,113 0.288,114 4.903,115 134.606,116 474.036,117 16262.5,118 1.704,119 8668,120 6.278,121 19.476,122 0.154,123 3.811,124 9.25,125 592,126 3.145,127 19.673,128 3.376,129 1.602,130 1,131 6.647,132 2.689,133 2.689,134 10.327,135 4.064,136 1.458,137 1.458,138 4.776,139 5.603}
{0 CHEMBL2180203,1 0.821,2 1.308,3 119.183,4 2.766,5 1.294,6 2.738,7 1.415,8 62.344,9 0.896,10 1.007,11 2.992,12 0.659,13 2,14 3.089,15 1.242,16 1.181,17 1.357,18 4.193,19 4.755,20 0.194,21 5.545,22 1.231,23 4.587,24 20.353,25 0.188,26 0.188,27 3.931,28 27.854,29 -0.615,30 -0.615,31 -0.238,32 4.149,33 1.074,34 32.392,35 -0.323,36 5.147,37 5.468,38 56.54,39 3.515,41 17.867,42 -0.259,43 -0.259,44 4.145,45 4.025,46 201.837,47 2.434,48 3.539,49 1.336,50 1.704,51 3.327,52 0.667,53 3.361,54 3.914,55 4.131,56 341.66,57 4.954,58 0.098,59 3.388,60 2.843,61 50.545,62 0.51,63 3.389,64 5.109,65 32.208,66 2.347,67 20.415,68 4.809,69 3.255,70 9.172,71 0.249,72 0.249,73 5.232,74 2.874,75 0.102,76 5.174,77 2.332,78 238.366,79 250.366,80 14.291,81 52,82 0.216,83 4.818,84 11.268,85 19.842,86 19.842,87 19.842,88 19.842,89 19.842,90 2.623,91 7.433,92 21.383,93 1.41,94 275.121,95 49,96 1.691,97 250.366,98 8.533,99 1.475,100 0.131,101 28.933,102 151.939,103 20.367,104 1.513,105 5.021,106 1.255,107 0.216,108 250.366,109 9.073,110 1544.57,111 1.722,112 2.838,113 0.218,114 4.885,115 138.452,116 467.422,117 20734.7,118 1.706,119 10646,120 6.444,121 17.53,122 0.144,123 3.93,124 8.762,125 681,126 3.412,127 21.466,128 3.441,129 1.802,130 1,131 6.914,132 2.864,133 2.864,134 11.541,135 4.069,136 1.469,137 1.469,138 4.874,139 4.28}
{0 CHEMBL2180204,1 0.905,2 1.315,3 114.221,4 2.793,5 1.296,6 2.788,7 1.426,8 59.356,9 0.987,10 1.03,11 3.023,12 0.659,13 2,14 3.113,15 1.247,16 1.204,17 1.352,18 4.193,19 4.755,20 0.194,21 5.529,22 1.231,23 4.587,24 20.353,25 0.188,26 0.188,27 3.931,28 26.626,29 -0.638,30 -0.638,31 -0.246,32 4.149,33 1.069,34 32.392,35 -0.338,36 5.159,37 5.447,38 56.54,39 3.515,41 17.867,42 -0.269,43 -0.269,44 4.146,45 4.025,46 201.837,47 2.434,48 3.539,49 1.336,50 1.704,51 3.339,52 0.648,53 3.35,54 3.914,55 4.131,56 341.66,57 4.954,58 0.098,59 3.388,60 2.751,61 50.545,62 0.51,63 3.389,64 5.1,65 32.208,66 2.329,67 20.415,68 4.809,69 3.269,70 9.172,71 0.249,72 0.249,73 5.21,74 2.874,75 0.102,76 5.174,77 2.31,78 242.366,79 258.366,80 14.291,81 52,82 0.216,83 4.818,84 11.314,85 19.842,86 19.842,87 19.842,88 19.842,89 19.842,90 2.623,91 7.434,92 21.383,93 1.41,94 275.121,95 49,96 1.67,97 258.366,98 8.548,99 1.475,100 0.131,101 26.667,102 150.991,103 20.367,104 1.513,105 5.021,106 1.249,107 0.216,108 258.366,109 9.073,110 1507.52,111 1.722,112 2.838,113 0.252,114 4.887,115 142.452,116 467.422,117 20087.5,118 1.705,119 10278,120 6.444,121 17.53,122 0.144,123 3.891,124 8.762,125 642,126 3.405,127 21.466,128 3.441,129 1.8,130 1,131 6.914,132 2.863,133 2.863,134 11.589,135 4.069,136 1.468,137 1.468,138 4.877,139 4.751}
{0 CHEMBL219722,1 0.821,2 1.112,3 111.663,4 2.715,5 1.104,6 2.735,7 1.222,8 59.469,9 0.886,10 0.894,11 2.854,12 0.345,13 1.176,14 2.925,15 1.107,16 1.161,17 1.211,18 4.165,19 4.464,20 -0.225,21 4.779,22 0.773,23 4.325,24 18.035,25 -0.227,26 -0.227,27 3.812,28 19.692,29 -1.354,30 -1.354,31 -0.534,32 4.011,33 0.878,34 30.051,35 -0.7,36 4.585,37 4.7,38 48.192,39 3.465,41 15.093,42 -0.549,43 -0.549,44 4.129,45 3.883,46 129.681,47 2.37,48 3.458,49 1.181,50 1.694,51 3.065,52 0.45,53 3.373,54 3.846,55 4.004,56 296.27,57 4.589,58 0.11,59 3.243,60 2.532,61 43.138,62 -0.296,63 3.216,64 4.763,65 28.983,66 1.933,67 18.054,68 4.65,69 3,70 8.079,71 -0.539,72 -0.539,73 4.094,74 2.343,75 0.111,76 4.803,77 2.138,78 161.555,79 196.574,80 12.704,81 46,82 0.237,83 4.569,84 10.671,85 17.861,86 17.861,87 17.861,88 17.861,89 17.861,90 2.29,91 6.605,92 19.879,93 1.365,94 233.329,95 43,97 213.329,98 8.064,99 1.312,100 0.145,101 24.426,102 128.978,103 16.332,104 1.395,105 4.762,106 1.181,107 0.224,108 211.329,109 7.93,110 1186.23,111 1.544,112 2.687,113 0.218,114 4.553,115 114.211,116 405.563,117 15249.6,118 1.746,119 9050,120 5.694,121 12.432,122 0.161,123 3.932,124 7.45,125 648,126 2.945,127 17.933,128 3.304,129 1.519,131 5.722,132 2.583,133 2.583,134 9.533,135 3.932,136 1.374,137 1.374,138 4.673,139 5.8}
{0 CHEMBL220057,1 0.835,2 1.295,3 117.778,4 2.715,5 1.298,6 2.735,7 1.388,8 62.779,9 0.897,10 1.04,11 2.865,12 0.408,13 1.184,14 2.962,15 1.112,16 1.181,17 1.418,18 4.17,19 4.547,20 -0.22,21 4.812,22 0.778,23 4.396,24 18.809,25 -0.222,26 -0.222,27 3.865,28 22.617,29 -1.005,30 -1.005,31 -0.428,32 4.071,33 0.889,34 31.813,35 -0.531,36 4.605,37 4.727,38 51.607,39 3.519,40 1,41 15.515,42 -0.43,43 -0.43,44 4.134,45 3.94,46 155.612,47 2.463,48 3.505,49 1.37,50 1.64,51 3.235,52 0.567,53 3.356,54 3.904,55 4.038,56 313.57,57 4.699,58 0.106,59 3.237,60 2.555,61 46.022,62 -0.132,63 3.202,64 4.873,65 30.509,66 2.062,67 18.502,68 4.694,69 3.154,70 8.489,71 -0.543,72 -0.543,73 4.347,74 2.538,75 0.107,76 4.922,77 2.179,78 191.765,79 227.819,80 13.097,81 49,82 0.229,83 4.626,84 10.791,85 18.309,86 18.309,87 18.309,88 18.309,89 18.309,90 2.314,91 6.913,92 20.285,93 1.454,94 254.084,95 46,97 239.329,98 8.174,99 1.284,100 0.14,101 25.783,102 135.876,103 17.28,104 1.485,105 4.812,106 1.249,107 0.222,108 237.329,109 8.266,110 1294.26,111 1.56,112 2.722,113 0.218,114 4.651,115 122.382,116 431.64,117 17230.3,118 1.694,119 9969,120 5.861,121 14.492,122 0.155,123 3.984,124 8.367,125 675,126 3.086,127 18.803,128 3.339,129 1.535,131 6.385,132 2.639,133 2.639,134 9.91,135 4.01,136 1.474,137 1.474,138 4.729,139 5.8}
{0 CHEMBL220241,1 1.136,2 1.615,3 195.479,4 3.072,5 1.62,6 3.05,7 1.626,8 234.349,9 1.174,10 1.365,11 3.274,12 0.916,13 2.551,14 3.321,15 1.429,16 1.513,17 1.629,18 4.18,19 5.1,20 1.098,21 5.557,22 2.106,23 4.938,24 29.386,25 1.147,26 1.147,27 4.253,28 41.028,29 2.407,30 2.407,31 1.026,32 4.524,33 2.5,34 47.693,35 1.5,36 5.193,37 5.438,38 81.601,39 3.874,40 1,41 25.76,42 1.07,43 1.07,44 4.138,45 4.413,46 289.489,47 2.971,48 3.895,49 1.65,50 1.932,51 3.553,52 2.032,53 3.757,54 4.243,55 4.48,56 479.23,57 5.178,58 0.066,59 3.597,60 3.558,61 73.171,62 1.254,63 3.582,64 5.424,65 46.54,66 2.315,67 29.947,68 5.344,69 3.478,70 13.36,71 2.593,72 2.593,73 6.862,74 4.369,75 0.07,76 5.38,77 2.791,78 355.931,79 395.215,80 20.568,81 77,82 0.147,83 5.146,84 17.243,85 29.04,86 29.04,87 29.04,88 29.04,89 29.04,90 3.49,91 10.826,92 32.304,93 1.903,94 444.235,95 72,96 2.308,97 403.48,98 9.44,99 1.67,100 0.09,101 67.934,102 247.426,103 28.123,104 1.787,105 5.342,106 1.555,107 0.176,108 403.48,109 13.161,110 3760.76,111 1.932,112 3.153,113 0.599,114 5.202,115 216.477,116 677.629,117 73332.4,118 1.927,119 37755,120 9.25,121 27.136,122 0.1,123 5.384,124 13.2,125 1741,126 3.447,127 28.89,128 3.764,129 2.188,130 1,131 9.574,132 2.816,133 2.816,134 15.483,135 4.357,136 2.029,137 2.029,138 5.36,139 5.8}
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{0 CHEMBL231708,1 0.716,2 1.063,3 84.004,4 2.286,5 1.048,6 2.376,7 1.232,8 97.363,9 0.806,10 0.817,11 2.461,12 0.575,13 0.599,14 2.54,15 1.05,16 1.036,17 1.256,18 4.169,19 4.381,20 -0.846,21 4.263,22 0.132,23 4.216,24 14.806,25 -0.858,26 -0.858,27 3.606,28 17.788,29 -2.591,30 -2.591,31 -1.1,32 3.845,33 0.247,34 25.693,35 -1.456,36 4.357,37 4.317,38 41.614,39 3.311,40 2,41 12.69,42 -1.148,43 -1.148,44 4.124,45 3.72,46 135.324,47 1.822,48 3.265,49 1.201,50 1.588,51 3.05,52 -0.169,53 3.159,54 3.686,55 3.784,56 251.1,57 4.39,58 0.13,59 3.23,60 2,61 37.113,62 -0.953,63 3.21,64 4.572,65 24.148,66 1.547,67 14.966,68 4.338,69 2.973,70 6.788,71 -2.097,72 -2.097,73 4.079,74 2.161,75 0.139,76 4.612,77 1.673,78 163.24,79 182.75,80 10.292,81 39,82 0.294,83 4.42,84 8.936,85 14.56,86 14.56,87 14.56,88 14.56,89 14.56,90 1.762,91 5.473,92 15.603,93 0.823,94 192.75,95 37,97 184.75,98 7.503,99 1.388,100 0.18,101 15.755,102 93.838,103 14.233,104 1.363,105 4.648,106 1.066,107 0.253,108 184.75,109 6.595,110 659.748,111 1.539,112 2.616,113 0.105,114 4.354,115 92.239,116 362.542,117 7022.66,118 1.576,119 4153,120 4.778,121 14.523,122 0.201,123 3.366,124 6.4,125 354,126 2.582,127 14.656,128 3.104,129 1.044,131 5.797,132 2.225,133 2.225,134 7.746,135 3.657,136 0.872,137 0.872,138 4.361,139 4.921}
{0 CHEMBL231745,1 1.064,2 1.429,3 157.989,4 2.91,5 1.422,6 2.941,7 1.651,8 85.876,9 1.153,10 1.177,11 3.111,12 0.871,13 2.316,14 3.206,15 1.389,16 1.396,17 1.62,18 4.183,19 4.959,20 0.975,21 5.398,22 1.981,23 4.779,24 24.508,25 0.997,26 0.997,27 4.126,28 37.657,29 1.175,30 1.175,31 0.501,32 4.356,33 2,34 41.773,35 0.929,36 5.043,37 5.273,38 71.185,39 3.763,40 1,41 21.196,42 0.506,43 0.506,44 4.142,45 4.23,46 237.088,47 2.705,48 3.748,49 1.513,50 1.86,51 3.456,52 1.507,53 3.537,54 4.171,55 4.28,56 436.91,57 5.164,58 0.081,59 3.512,60 3.247,61 63.312,62 1,63 3.496,64 5.337,65 40.068,66 2.364,67 23.763,68 5.05,69 3.403,70 11.597,71 2.136,72 2.136,73 6.521,74 3.958,75 0.085,76 5.396,77 2.645,78 295.433,79 327.549,80 16.867,81 66,82 0.178,83 5.086,84 13.781,85 23.507,86 23.507,87 23.507,88 23.507,89 23.507,90 3.155,91 9.407,92 24.967,93 1.668,94 376.569,95 63,96 1.817,97 335.814,98 8.971,99 1.6,100 0.11,101 43.44,102 189.539,103 24.6,104 1.667,105 5.304,106 1.486,107 0.2,108 335.814,109 11.35,110 2297.36,111 1.835,112 2.951,113 0.504,114 5.102,115 171.525,116 611.991,117 36169.3,118 1.87,119 17745,120 7.778,121 24.021,122 0.122,123 4.483,124 11.55,125 1004,126 3.371,127 24.949,128 3.589,129 2.322,130 1,131 9.444,132 2.812,133 2.812,134 13.013,135 4.321,136 1.754,137 1.754,138 5.094,139 5.143}
{0 CHEMBL231747,1 1.064,2 1.465,3 140.157,4 2.907,5 1.514,6 2.865,7 1.543,8 169.416,9 1.153,10 1.179,11 3.111,12 0.825,13 2,14 3.205,15 1.429,16 1.396,17 1.5,18 4.182,19 4.909,20 0.594,21 5.293,22 1.581,23 4.728,24 22.391,25 0.618,26 0.618,27 4.019,28 34.943,29 1.175,30 1.175,31 0.5,32 4.294,33 1.742,34 37.466,35 0.593,36 4.963,37 5.198,38 65.979,39 3.634,40 2,41 19.365,42 0.506,43 0.506,44 4.14,45 4.169,46 223.22,47 2.645,48 3.64,49 1.513,50 1.712,51 3.414,52 1.507,53 3.528,54 4.043,55 4.193,56 384.42,57 5.073,58 0.088,59 3.505,60 3.153,61 58.756,62 0.802,63 3.489,64 5.261,65 36.256,66 2.255,67 21.793,68 4.925,69 3.342,70 10.507,71 1.372,72 1.372,73 5.901,74 3.604,75 0.092,76 5.303,77 2.557,78 282.279,79 301.498,80 15.436,81 61,82 0.193,83 4.992,84 12.696,85 21.482,86 21.482,87 21.482,88 21.482,89 21.482,90 3,91 8.536,92 23.175,93 1.619,94 339.763,95 58,96 1.816,97 307.008,98 8.716,99 1.486,100 0.119,101 36.5,102 167.638,103 22.341,104 1.596,105 5.211,106 1.407,107 0.208,108 307.008,109 10.32,110 1838.64,111 1.667,112 2.866,113 0.435,114 5.028,115 156,116 548.612,117 26897.9,118 1.758,119 13827,120 7.028,121 23.311,122 0.133,123 4.26,124 10.55,125 805,126 3.242,127 22.665,128 3.502,129 1.872,130 1,131 8.229,132 2.787,133 2.787,134 11.903,135 4.172,136 1.677,137 1.677,138 4.967,139 5.387}
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{0 CHEMBL231958,1 1.047,2 1.429,3 144.876,4 2.91,5 1.387,6 2.941,7 1.647,8 79.065,9 1.091,10 1.153,11 3.111,12 0.871,13 2,14 3.206,15 1.361,16 1.396,17 1.609,18 4.182,19 4.945,20 0.912,21 5.323,22 1.92,23 4.758,24 23.27,25 0.927,26 0.927,27 4.07,28 36.293,29 1.175,30 1.175,31 0.5,32 4.334,33 1.742,34 39.773,35 0.593,36 4.99,37 5.22,38 69.185,39 3.707,40 1,41 19.943,42 0.506,43 0.506,44 4.141,45 4.203,46 226.336,47 2.645,48 3.693,49 1.513,50 1.857,51 3.43,52 1.507,53 3.531,54 4.113,55 4.225,56 407.59,57 5.124,58 0.085,59 3.509,60 3.247,61 61.312,62 1,63 3.494,64 5.298,65 38.068,66 2.255,67 22.5,68 4.971,69 3.363,70 11.052,71 2.136,72 2.136,73 6.169,74 3.812,75 0.09,76 5.36,77 2.603,78 293.436,79 321.51,80 15.936,81 64,82 0.188,83 5.05,84 13.196,85 22.19,86 22.19,87 22.19,88 22.19,89 22.19,90 3.155,91 8.974,92 23.868,93 1.621,94 361.775,95 61,96 1.829,97 329.02,98 8.805,99 1.597,100 0.116,101 38.492,102 174.763,103 23.093,104 1.667,105 5.273,106 1.478,107 0.205,108 329.02,109 10.83,110 1980.15,111 1.834,112 2.867,113 0.498,114 5.063,115 160.465,116 577.073,117 29674.2,118 1.866,119 15043,120 7.278,121 24.314,122 0.129,123 4.337,124 11.05,125 867,126 3.242,127 23.372,128 3.532,129 1.872,130 1,131 8.871,132 2.777,133 2.777,134 12.285,135 4.253,136 1.678,137 1.678,138 5.011,139 5.569}
{0 CHEMBL231959,1 1.052,2 1.429,3 139.338,4 2.91,5 1.382,6 2.941,7 1.551,8 75.754,9 1.097,10 1.153,11 3.111,12 0.825,13 2,14 3.206,15 1.363,16 1.296,17 1.534,18 4.181,19 4.89,20 0.915,21 5.268,22 1.923,23 4.716,24 22.618,25 0.923,26 0.923,27 4.05,28 31.903,29 0.87,30 0.87,31 0.353,32 4.298,33 1.69,34 38.767,35 0.457,36 4.942,37 5.165,38 66.687,39 3.697,40 1,41 19.366,42 0.363,43 0.363,44 4.14,45 4.168,46 212.108,47 2.621,48 3.678,49 1.513,50 1.858,51 3.366,52 1.343,53 3.513,54 4.103,55 4.198,56 396.59,57 5.043,58 0.087,59 3.506,60 3.247,61 59.211,62 0.806,63 3.492,64 5.159,65 37.046,66 2.255,67 21.832,68 4.936,69 3.317,70 10.843,71 2.136,72 2.136,73 5.794,74 3.731,75 0.092,76 5.287,77 2.494,78 263.592,79 300.056,80 15.508,81 62,82 0.193,83 5.032,84 13.01,85 21.637,86 21.637,87 21.637,88 21.637,89 21.637,90 2.975,91 8.829,92 23.463,93 1.592,94 347.076,95 59,97 311.076,98 8.713,99 1.598,100 0.119,101 38.125,102 168.267,103 22.191,104 1.524,105 5.264,106 1.482,107 0.206,108 311.076,109 10.671,110 1859.84,111 1.834,112 2.867,113 0.299,114 4.931,115 152,116 553.569,117 27453.6,118 1.867,119 14184,120 7.056,121 22.831,122 0.133,123 4.326,124 10.233,125 842,126 3.242,127 22.501,128 3.502,129 1.872,131 9.128,132 2.746,133 2.746,134 11.918,135 4.214,136 1.649,137 1.649,138 4.965,139 4.699}
{0 CHEMBL231960,1 1.064,2 1.548,3 169.43,4 3.009,5 1.552,6 2.993,7 1.662,8 93.924,9 1.153,10 1.319,11 3.194,12 1.041,13 2.317,14 3.249,15 1.429,16 1.513,17 1.617,18 4.188,19 5.173,20 1,21 5.617,22 2,23 4.986,24 27.642,25 1,26 1,27 4.287,28 49.306,29 2.136,30 2.136,31 1,32 4.528,33 2.312,34 48.574,35 1.215,36 5.22,37 5.493,38 84.763,39 3.93,40 1,41 23.719,42 1,43 1,44 4.146,45 4.395,46 248.221,47 2.787,48 3.893,49 1.554,50 1.998,51 3.552,52 2,53 3.662,54 4.361,55 4.373,56 488.03,57 5.375,58 0.074,59 3.658,60 3.422,61 74.629,62 1,63 3.678,64 5.585,65 45.68,66 2.256,67 26.206,68 5.189,69 3.507,70 13.854,71 2.27,72 2.27,73 8.009,74 5.101,75 0.077,76 5.624,77 2.639,78 309.703,79 358.632,80 18.508,81 79,82 0.163,83 5.335,84 15.628,85 25.966,86 25.966,87 25.966,88 25.966,89 25.966,90 3.247,91 11.26,92 28.433,93 1.769,94 467.161,95 75,96 2.196,97 375.161,98 9.226,99 1.758,100 0.1,101 45.075,102 209.245,103 26.588,104 1.833,105 5.584,106 1.513,107 0.188,108 375.161,109 13.633,110 2678.19,111 2.01,112 3.084,113 0.825,114 5.361,115 175.421,116 680.837,117 44102.1,118 1.962,119 22027,120 8.389,121 32.071,122 0.111,123 4.707,124 13.017,125 1041,126 3.269,127 26.485,128 3.668,129 2.178,130 1,131 12.443,132 2.782,133 2.782,134 14.238,135 4.513,136 1.806,137 1.806,138 5.218,139 4.699}
{0 CHEMBL232155,1 0.928,2 1.366,3 132.026,4 2.8,5 1.387,6 2.797,7 1.505,8 71.151,9 0.985,10 1.093,11 2.991,12 0.64,13 1.64,14 3.071,15 1.308,16 1.293,17 1.53,18 4.18,19 4.797,20 0.283,21 5.118,22 1.288,23 4.61,24 20.732,25 0.286,26 0.286,27 3.933,28 32.488,29 -0.522,30 -0.522,31 -0.187,32 4.221,33 1.152,34 36.006,35 -0.242,36 4.875,37 5.081,38 62.272,39 3.593,40 1,41 17.374,42 -0.194,43 -0.194,44 4.139,45 4.09,46 201.162,47 2.621,48 3.58,49 1.485,50 1.837,51 3.326,52 0.781,53 3.465,54 3.966,55 4.116,56 374.35,57 4.972,58 0.096,59 3.458,60 2.898,61 55.327,62 0.401,63 3.455,64 5.175,65 34.519,66 2.213,67 19.883,68 4.808,69 3.275,70 9.558,71 0.664,72 0.664,73 4.933,74 3.235,75 0.101,76 5.19,77 2.295,78 252.2,79 276.2,80 14.274,81 57,82 0.211,83 4.856,84 11.479,85 19.621,86 19.621,87 19.621,88 19.621,89 19.621,90 2.67,91 7.736,92 20.403,93 1.592,94 317.975,95 55,96 1.642,97 281.71,98 8.537,99 1.569,100 0.13,101 33,102 153.448,103 21.69,104 1.582,105 5.058,106 1.417,107 0.221,108 281.71,109 9.239,110 1566.17,111 1.828,112 2.867,113 0.289,114 4.94,115 141.207,116 540.285,117 21836.7,118 1.833,119 10597,120 6.611,121 20.931,122 0.145,123 3.978,124 10.683,125 672,126 3.219,127 21.836,128 3.441,129 1.871,130 1,131 7.597,132 2.773,133 2.773,134 11.125,135 4.101,136 1.647,137 1.647,138 4.873,139 4.959}
{0 CHEMBL232157,1 1.064,2 1.464,3 156.84,4 2.964,5 1.464,6 2.96,7 1.662,8 86.144,9 1.153,10 1.236,11 3.155,12 0.947,13 2.313,14 3.226,15 1.429,16 1.477,17 1.617,18 4.184,19 4.998,20 1,21 5.412,22 2,23 4.817,24 24.794,25 1,26 1,27 4.139,28 39.962,29 2.136,30 2.136,31 0.916,32 4.398,33 2,34 43.29,35 1,36 5.05,37 5.303,38 74.517,39 3.798,40 1,41 21.39,42 0.923,43 0.923,44 4.142,45 4.268,46 242.27,47 2.706,48 3.772,49 1.513,50 1.862,51 3.515,52 1.924,53 3.591,54 4.197,55 4.282,56 445.85,57 5.194,58 0.081,59 3.519,60 3.247,61 65.978,62 1,63 3.507,64 5.388,65 41.1,66 2.255,67 24.013,68 5.06,69 3.466,70 11.91,71 2.136,72 2.136,73 6.44,74 4.135,75 0.085,76 5.428,77 2.62,78 311.446,79 347.91,80 16.974,81 69,82 0.178,83 5.129,84 14.343,85 23.767,86 23.767,87 23.767,88 23.767,89 23.767,90 3.247,91 9.694,92 25.255,93 1.682,94 398.93,95 66,96 1.898,97 358.93,98 8.983,99 1.602,100 0.11,101 41.313,102 188.511,103 24.839,104 1.81,105 5.359,106 1.495,107 0.199,108 358.93,109 11.693,110 2245.09,111 1.845,112 3.023,113 0.509,114 5.167,115 171.525,116 624.887,117 35106.3,118 1.87,119 17197,120 7.861,121 26.07,122 0.122,123 4.457,124 11.517,125 923,126 3.242,127 24.786,128 3.589,129 1.986,130 1,131 10.049,132 2.778,133 2.778,134 13.041,135 4.337,136 1.734,137 1.734,138 5.097,139 5.143}
{0 CHEMBL232363,1 1.064,2 1.429,3 157.201,4 2.91,5 1.423,6 2.941,7 1.655,8 85.89,9 1.153,10 1.174,11 3.111,12 0.996,13 2.044,14 3.206,15 1.426,16 1.461,17 1.611,18 4.184,19 5,20 0.969,21 5.416,22 1.985,23 4.819,24 24.887,25 1,26 1,27 4.154,28 40.605,29 1.708,30 1.708,31 0.831,32 4.384,33 2,34 43.642,35 0.965,36 5.037,37 5.298,38 73.359,39 3.806,40 1,41 21.235,42 0.827,43 0.827,44 4.142,45 4.257,46 238.593,47 2.723,48 3.772,49 1.513,50 1.861,51 3.491,52 1.842,53 3.562,54 4.221,55 4.28,56 450.47,57 5.175,58 0.081,59 3.514,60 3.364,61 65.207,62 1,63 3.5,64 5.4,65 41.125,66 2.255,67 23.953,68 5.05,69 3.432,70 11.948,71 2.136,72 2.136,73 7.054,74 4.282,75 0.085,76 5.398,77 2.666,78 304.318,79 340.434,80 16.867,81 68,82 0.178,83 5.128,84 13.817,85 23.507,86 23.507,87 23.507,88 23.507,89 23.507,90 3.247,91 9.636,92 24.967,93 1.68,94 391.454,95 65,96 1.959,97 348.699,98 8.977,99 1.6,100 0.11,101 41.835,102 188.874,103 25.557,104 1.805,105 5.355,106 1.479,107 0.2,108 348.699,109 11.662,110 2267.53,111 1.844,112 3.12,113 0.508,114 5.174,115 171.525,116 636.231,117 35469.9,118 1.867,119 17379,120 7.778,121 25.805,122 0.122,123 4.447,124 11.743,125 962,126 3.242,127 24.949,128 3.589,129 1.978,130 1,131 10.416,132 2.805,133 2.805,134 13.052,135 4.367,136 1.767,137 1.767,138 5.096,139 5.921}
{0 CHEMBL232381,1 1.064,2 1.463,3 163.314,4 2.972,5 1.462,6 2.978,7 1.656,8 89.496,9 1.153,10 1.236,11 3.157,12 0.947,13 2.317,14 3.224,15 1.429,16 1.468,17 1.612,18 4.184,19 4.996,20 1,21 5.455,22 2,23 4.821,24 25.465,25 1,26 1,27 4.171,28 39.246,29 2.136,30 2.136,31 0.947,32 4.396,33 2,34 44.642,35 1,36 5.063,37 5.333,38 74.359,39 3.828,40 1,41 21.813,42 0.974,43 0.974,44 4.143,45 4.271,46 251.453,47 2.75,48 3.795,49 1.513,50 1.861,51 3.514,52 1.96,53 3.591,54 4.236,55 4.308,56 465.13,57 5.198,58 0.079,59 3.519,60 3.414,61 66.207,62 1,63 3.508,64 5.387,65 42.125,66 2.255,67 24.625,68 5.092,69 3.467,70 12.058,71 2.275,72 2.275,73 7.04,74 4.115,75 0.083,76 5.426,77 2.67,78 318.549,79 350.665,80 17.367,81 69,82 0.174,83 5.134,84 14.43,85 24.214,86 24.214,87 24.214,88 24.214,89 24.214,90 3.247,91 9.742,92 25.66,93 1.708,94 398.93,95 66,96 1.896,97 358.93,98 9.062,99 1.602,100 0.107,101 43.682,102 195.916,103 26.276,104 1.81,105 5.356,106 1.491,107 0.197,108 358.93,109 11.786,110 2411.46,111 1.844,112 3.169,113 0.507,114 5.169,115 178.117,116 652.649,117 38541.6,118 1.867,119 18590,120 8.028,121 25.095,122 0.119,123 4.516,124 11.576,125 993,126 3.242,127 25.656,128 3.616,129 1.989,130 1,131 10.401,132 2.805,133 2.805,134 13.408,135 4.385,136 1.788,137 1.788,138 5.137,139 5.921}
{0 CHEMBL232382,1 0.937,2 1.366,3 144.876,4 2.805,5 1.39,6 2.802,7 1.606,8 79.065,9 0.986,10 1.098,11 2.991,12 0.684,13 2.331,14 3.072,15 1.186,16 1.181,17 1.606,18 4.182,19 4.773,20 0.92,21 5.323,22 1.927,23 4.614,24 22.762,25 0.927,26 0.927,27 4.025,28 29.3,29 1.175,30 1.175,31 0.5,32 4.244,33 1.885,34 38.245,35 0.639,36 4.99,37 5.22,38 62.857,39 3.678,40 1,41 19.216,42 0.506,43 0.506,44 4.141,45 4.125,46 195.839,47 2.645,48 3.672,49 1.485,50 1.855,51 3.409,52 1.507,53 3.524,54 4.05,55 4.225,56 395.07,57 4.939,58 0.085,59 3.51,60 3.247,61 56.443,62 1,63 3.495,64 5.131,65 36.993,66 2.255,67 22.435,68 4.971,69 3.349,70 10.281,71 2.136,72 2.136,73 5.286,74 3.162,75 0.09,76 5.135,77 2.616,78 240.087,79 282.192,80 15.936,81 59,82 0.188,83 4.864,84 13.196,85 22.19,86 22.19,87 22.19,88 22.19,89 22.19,90 3.155,91 8.35,92 23.868,93 1.622,94 325.212,95 56,96 1.559,97 298.457,98 8.805,99 1.599,100 0.116,101 38.492,102 174.763,103 22.403,104 1.627,105 5.05,106 1.293,107 0.205,108 296.457,109 10.046,110 1980.15,111 1.833,112 2.867,113 0.218,114 4.923,115 158.465,116 549.231,117 29674.2,118 1.863,119 15043,120 7.278,121 18.424,122 0.129,123 4.337,124 10.267,125 867,126 3.242,127 23.372,128 3.532,129 1.872,130 1,131 7.653,132 2.777,133 2.777,134 12.218,135 4.161,136 1.678,137 1.678,138 5.011,139 5.585}
{0 CHEMBL232579,1 1.166,2 1.551,3 152.035,4 2.936,5 1.529,6 2.941,7 1.629,8 181.397,9 1.209,10 1.382,11 3.135,12 0.871,13 2.118,14 3.206,15 1.429,16 1.463,17 1.646,18 4.181,19 5,20 0.687,21 5.371,22 1.694,23 4.82,24 24.283,25 0.735,26 0.735,27 4.115,28 39.778,29 1.372,30 1.372,31 0.506,32 4.361,33 2,34 42.387,35 0.927,36 5.004,37 5.263,38 72.148,39 3.786,40 2,41 20.995,42 0.618,43 0.618,44 4.141,45 4.246,46 234.474,47 2.65,48 3.746,49 1.665,50 1.762,51 3.473,52 1.499,53 3.563,54 4.186,55 4.252,56 432.83,57 5.119,58 0.083,59 3.515,60 3.217,61 64.28,62 1,63 3.499,64 5.34,65 39.98,66 2.275,67 23.725,68 5.016,69 3.392,70 11.669,71 1.699,72 1.699,73 7.122,74 4.235,75 0.087,76 5.332,77 2.554,78 314.906,79 340.98,80 16.474,81 67,82 0.183,83 5.078,84 13.765,85 23.06,86 23.06,87 23.06,88 23.06,89 23.06,90 3.125,91 9.372,92 24.561,93 1.622,94 384,95 64,96 1.845,97 346.49,98 8.897,99 1.533,100 0.113,101 41.356,102 181.913,103 24.713,104 1.679,105 5.3,106 1.513,107 0.202,108 346.49,109 11.324,110 2115.94,111 1.775,112 3.044,113 0.608,114 5.116,115 166.974,116 620.383,117 32659.9,118 1.773,119 16237,120 7.611,121 28.476,122 0.126,123 4.432,124 12.017,125 891,126 3.329,127 24.079,128 3.561,129 1.878,130 1,131 10.661,132 2.787,133 2.787,134 12.703,135 4.269,136 1.682,137 1.682,138 5.052,139 5.614}
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{0 CHEMBL2326002,1 0.902,2 1.341,3 113.164,4 2.724,5 1.296,6 2.727,7 1.503,8 59.471,9 0.957,10 1.043,11 2.926,12 0.829,13 1.412,14 3.022,15 1.308,16 1.38,17 1.536,18 4.159,19 4.836,20 0.107,21 5.252,22 0.994,23 4.648,24 20.407,25 0.135,26 0.135,27 3.983,28 47.55,29 -1.242,30 -1.242,31 -0.347,32 4.215,33 0.833,34 34.898,35 -0.609,36 4.97,37 5.165,38 60.635,39 3.581,40 1,41 17.15,42 -0.499,43 -0.499,44 4.115,45 4.084,46 207.828,47 2.517,48 3.569,49 1.427,50 1.801,51 3.329,52 0.378,53 3.347,54 4.006,55 4.097,56 350.01,57 5.12,58 0.105,59 3.415,60 2.979,61 53.611,62 0.246,63 3.417,64 5.412,65 33.322,66 1.965,67 19.592,68 4.757,69 3.241,70 9.527,71 0.356,72 0.356,73 6.105,74 3.244,75 0.109,76 5.364,77 2.33,78 252.786,79 275.315,80 13.786,81 56,82 0.238,83 4.959,84 10.767,85 19.048,86 19.048,87 19.048,88 19.048,89 19.048,90 2.681,91 7.616,92 20.69,93 1.452,94 303.58,95 53,96 1.986,97 275.315,98 8.438,99 1.511,100 0.139,101 23.669,102 144.878,103 20.33,104 1.619,105 5.163,106 1.417,107 0.22,108 275.315,109 9.206,110 1410.33,111 1.761,112 2.88,113 0.419,114 5.131,115 138.881,116 527.038,117 18403.6,118 1.797,119 9807,120 6.167,121 21.539,122 0.145,123 3.837,124 10.286,125 635,126 3.078,127 20.759,128 3.409,129 1.547,130 1,131 7.656,132 2.967,133 2.967,134 10.819,135 4.191,136 1.545,137 1.545,138 4.833,139 6}
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{0 CHEMBL379281,1 1.226,2 1.521,4 2.939,5 1.48,6 2.941,7 1.551,8 231.632,9 1.249,10 1.306,11 3.134,12 0.79,13 2.213,14 3.206,15 1.429,16 1.417,17 1.54,18 4.011,19 4.928,20 0.799,21 4.913,22 1.82,23 4.751,24 24.676,25 0.891,26 0.891,27 4.106,28 45.708,29 1.761,30 1.761,31 0.627,32 4.321,33 2.103,34 42.955,35 1,36 4.727,37 4.787,38 68.53,39 3.815,41 21.011,42 0.736,43 0.736,44 3.979,45 4.212,46 232.045,47 2.747,48 3.748,49 1.513,50 1.687,51 3.492,52 1.607,53 3.488,54 4.201,55 4.277,56 445.82,57 5.029,58 0.076,59 3.613,60 3.414,61 61.658,62 1,63 3.617,64 5.255,65 40.102,66 2.223,67 24.271,68 5.05,69 3.443,70 11.016,71 2.155,72 2.155,73 8.622,74 3.444,75 0.079,76 5.221,77 2.43,78 291.51,79 301.51,80 16.796,81 64,82 0.169,83 4.92,84 13.484,85 23.239,86 23.239,87 23.239,88 23.239,89 23.239,90 3.285,91 8.625,92 24.967,93 1.651,94 361.775,95 61,96 5.473,97 309.51,98 8.906,99 1.455,100 0.105,101 48.186,102 196.264,103 26.049,104 1.545,105 5.096,106 1.452,107 0.2,108 309.51,109 10.408,110 2512.56,111 1.675,112 3.065,113 0.52,114 5.012,115 169.525,116 639.227,117 43354.8,118 1.708,119 21768,120 7.639,121 32.092,122 0.113,123 4.728,124 12,125 1266,126 3.478,127 24.949,128 3.588,129 2.453,130 3,131 10.359,132 2.75,133 2.75,134 12.994,135 4.292,136 1.825,137 1.825,138 5.099,139 5.796}
{0 CHEMBL379478,1 1.064,2 1.429,4 2.921,5 1.378,6 2.941,7 1.5,8 99.049,9 1.153,10 1.276,11 3.111,12 0.712,13 2,14 3.206,15 1.428,16 1.35,17 1.538,18 4.021,19 4.858,20 0.625,21 5.004,22 1.596,23 4.685,24 23.219,25 0.734,26 0.734,27 4.065,28 40.765,29 0.474,30 0.474,31 0.155,32 4.271,33 1.469,34 40.301,35 0.227,36 4.754,37 4.949,38 65.112,39 3.752,41 19.352,42 0.186,43 0.186,44 3.991,45 4.162,46 224.402,47 2.855,48 3.7,49 1.513,50 1.643,51 3.34,52 1.049,53 3.453,54 4.147,55 4.222,56 416.31,57 4.981,58 0.084,59 3.621,60 3.291,61 58.48,62 0.829,63 3.613,64 5.178,65 37.894,66 2.243,67 22.572,68 4.961,69 3.251,70 10.516,71 1.778,72 1.778,73 7.25,74 3.378,75 0.086,76 5.172,77 2.603,78 267.624,79 297.498,80 15.779,81 61,82 0.183,83 4.896,84 12.632,85 21.773,86 21.773,87 21.773,88 21.773,89 21.773,90 3.016,91 8.305,92 23.581,93 1.818,94 339.763,95 58,96 3.396,97 305.498,98 8.763,99 1.375,100 0.113,101 40.026,102 178.209,103 23.833,104 1.627,105 5.073,106 1.457,107 0.206,108 305.498,109 10.012,110 2096.52,111 1.666,112 3.009,113 0.474,114 4.967,115 162.465,116 599.28,117 32695.9,118 1.64,119 16755,120 7.111,121 27.154,122 0.122,123 4.425,124 11.417,125 987,126 3.388,127 23.535,128 3.531,129 2.451,130 2,131 9.555,132 2.761,133 2.761,134 12.248,135 4.258,136 1.879,137 1.879,138 5.014,139 8.155}
{0 CHEMBL380042,1 1.031,2 1.396,4 2.842,5 1.339,6 2.87,7 1.376,8 88.461,9 1.065,10 1.153,11 3.001,12 0.712,13 2,14 3.072,15 1.289,16 1.209,17 1.429,18 4.008,19 4.714,20 0.617,21 4.844,22 1.587,23 4.546,24 21.064,25 0.703,26 0.703,27 3.934,28 33.219,32 4.138,33 1.265,34 35.568,36 4.635,37 4.745,38 56.155,39 3.63,41 18.059,44 3.976,45 4.029,46 187.02,47 2.361,48 3.583,49 1.412,50 1.643,51 3.206,52 0.837,53 3.453,54 4.017,55 4.137,56 366.62,57 4.762,58 0.089,59 3.593,60 3.247,61 50.603,62 0.575,63 3.596,64 4.962,65 33.62,66 2.099,67 21.212,68 4.851,69 3.149,70 9.402,71 1.749,72 1.749,73 6.584,74 2.899,75 0.091,76 4.946,77 2.29,78 225.073,79 243.438,80 14.581,81 53,82 0.194,83 4.744,84 12.161,85 20.378,86 20.378,87 20.378,88 20.378,89 20.378,90 2.897,91 7.464,92 22.364,93 1.337,94 282.193,95 50,96 3.573,97 251.438,98 8.48,99 1.373,100 0.121,101 35.52,102 157.581,103 20.916,104 1.513,105 4.932,106 1.25,107 0.211,108 251.438,109 9.048,110 1702.67,111 1.666,112 2.866,113 0.364,114 4.754,115 139.207,116 520.371,117 24837.5,118 1.639,119 13518,120 6.583,121 22.145,122 0.13,123 4.307,124 9.333,125 892,126 3.26,127 20.924,128 3.44,129 2.056,130 2,131 7.877,132 2.713,133 2.713,134 11.085,135 4.099,136 1.396,137 1.396,138 4.875,139 4.334}
{0 CHEMBL380058,1 1.195,2 1.56,4 3.072,5 1.54,6 3.056,7 1.601,8 125.294,9 1.256,10 1.342,11 3.254,12 0.825,13 2.277,14 3.284,15 1.454,16 1.498,17 1.57,18 4.03,19 5.067,20 0.965,21 5.231,22 1.967,23 4.895,24 27.442,25 1,26 1,27 4.223,28 48.455,29 2.275,30 2.275,31 0.945,32 4.455,33 2.209,34 48.25,35 1.061,36 4.977,37 5.1,38 79.693,39 3.913,41 23.329,42 1,43 1,44 4.009,45 4.35,46 264.677,47 2.911,48 3.865,49 1.595,50 1.819,51 3.514,52 1.963,53 3.589,54 4.296,55 4.38,56 506.75,57 5.183,58 0.073,59 3.632,60 3.414,61 71.567,62 1.146,63 3.62,64 5.411,65 45.409,66 2.342,67 26.752,68 5.195,69 3.468,70 12.534,71 2.275,72 2.275,73 8.317,74 4.228,75 0.075,76 5.36,77 2.764,78 345.348,79 368.858,80 18.638,81 74,82 0.158,83 5.097,84 14.931,85 25.764,86 25.764,87 25.764,88 25.764,89 25.764,90 3.414,91 9.922,92 27.164,93 1.846,94 436.632,95 71,96 3.497,97 376.858,98 9.247,99 1.526,100 0.098,101 55.312,102 222.449,103 29.374,104 1.669,105 5.264,106 1.513,107 0.192,108 376.858,109 11.916,110 3104.23,111 1.867,112 3.177,113 0.61,114 5.208,115 196.131,116 723.601,117 55359.7,118 1.796,119 26049,120 8.583,121 34.499,122 0.107,123 4.85,124 14.433,125 1381,126 3.51,127 28.104,128 3.693,129 2.485,130 2,131 11.952,132 2.816,133 2.816,134 14.495,135 4.431,136 1.97,137 1.97,138 5.251,139 7.328}
{0 CHEMBL380075,1 1.238,2 1.525,4 3.088,5 1.537,6 3.133,7 1.645,8 132.506,9 1.299,10 1.358,11 3.243,12 0.825,13 2.5,14 3.288,15 1.471,16 1.425,17 1.647,18 4.053,19 5.107,20 1,21 5.403,22 2,23 4.934,24 29.859,25 1.028,26 1.028,27 4.326,28 53.952,29 2.296,30 2.296,31 1,32 4.514,33 2.5,34 52.347,35 1.5,36 5.1,37 5.268,38 83.773,39 4.016,41 25.176,42 1,43 1,44 4.027,45 4.402,46 263.975,47 2.943,48 3.958,49 1.667,50 1.955,51 3.551,52 2,53 3.686,54 4.412,55 4.465,56 538.19,57 5.274,58 0.064,59 3.643,60 3.59,61 75.014,62 1.352,63 3.687,64 5.459,65 49.001,66 2.501,67 28.965,68 5.322,69 3.484,70 13.688,71 2.588,72 2.588,73 9.368,74 4.356,75 0.067,76 5.475,77 2.828,78 337.181,79 385.287,80 20.279,81 79,82 0.142,83 5.155,84 16.568,85 28.223,86 28.223,87 28.223,88 28.223,89 28.223,90 3.461,91 10.874,92 30.63,93 1.891,94 467.161,95 75,96 5.569,97 406.897,98 9.484,99 1.695,100 0.087,101 59.68,102 243.784,103 30.118,104 1.726,105 5.337,106 1.513,107 0.181,108 406.897,109 13.078,110 3606.42,111 1.948,112 3.32,113 0.707,114 5.24,115 210.477,116 750.779,117 67574.6,118 1.947,119 32347,120 9.194,121 35.374,122 0.097,123 5.158,124 14.467,125 1511,126 3.579,127 29.639,128 3.765,129 2.515,130 3,131 12.337,132 2.866,133 2.866,134 15.599,135 4.556,136 2.012,137 2.012,138 5.36,139 4.409}
{0 CHEMBL380082,1 1.064,2 1.551,4 2.958,5 1.563,6 2.941,7 1.629,8 116.12,9 1.153,10 1.293,11 3.174,12 0.789,13 2.221,14 3.222,15 1.429,16 1.418,17 1.6,18 4.041,19 4.998,20 0.965,21 4.92,22 1.967,23 4.806,24 25.245,25 1,26 1,27 4.118,28 42.221,29 1.834,30 1.834,31 0.727,32 4.397,33 2.189,34 43.426,35 1,36 4.762,37 4.82,38 73.604,39 3.788,41 21.588,42 0.765,43 0.765,44 4.002,45 4.27,46 237.234,47 2.797,48 3.761,49 1.513,50 1.73,51 3.508,52 1.746,53 3.491,54 4.165,55 4.306,56 451.76,57 5.139,58 0.076,59 3.606,60 3.414,61 65.491,62 1.146,63 3.585,64 5.345,65 41.276,66 2.402,67 24.595,68 5.092,69 3.46,70 11.464,71 2.275,72 2.275,73 6.831,74 3.699,75 0.077,76 5.355,77 2.445,78 300.434,79 328.434,80 17.296,81 68,82 0.164,83 5.008,84 13.97,85 23.947,86 23.947,87 23.947,88 23.947,89 23.947,90 3.414,91 9.163,92 25.66,93 1.691,94 391.454,95 65,96 5.5,97 339.189,98 8.996,99 1.395,100 0.102,101 49.407,102 202.914,103 26.049,104 1.667,105 5.197,106 1.44,107 0.197,108 339.189,109 11.011,110 2657.45,111 1.727,112 3.061,113 0.469,114 5.1,115 176.117,116 642.739,117 46363.3,118 1.746,119 22968,120 7.889,121 28.778,122 0.11,123 4.777,124 12.583,125 1298,126 3.509,127 25.656,128 3.615,129 2.452,130 3,131 9.077,132 2.747,133 2.747,134 13.344,135 4.326,136 1.876,137 1.876,138 5.14,139 4.301}
{0 CHEMBL381107,1 1.199,2 1.542,4 2.984,5 1.559,6 2.954,7 1.644,8 129.011,9 1.225,10 1.306,11 3.208,12 0.791,13 2.355,14 3.249,15 1.431,16 1.417,17 1.627,18 4.069,19 5.008,20 0.985,21 5.13,22 1.996,23 4.838,24 27.012,25 1,26 1,27 4.199,28 46.763,29 2.275,30 2.275,31 0.965,32 4.415,33 2.222,34 45.977,35 1.088,36 4.898,37 5.05,38 75.444,39 3.867,41 22.991,42 1,43 1,44 4.043,45 4.306,46 254.556,47 2.827,48 3.826,49 1.513,50 1.726,51 3.541,52 1.967,53 3.533,54 4.266,55 4.38,56 491.51,57 5.198,58 0.074,59 3.638,60 3.492,61 68.12,62 1.275,63 3.621,64 5.4,65 43.871,66 2.43,67 26.483,68 5.195,69 3.484,70 12.061,71 2.275,72 2.275,73 8.411,74 3.788,75 0.075,76 5.387,77 2.767,78 319.757,79 341.408,80 18.617,81 70,82 0.16,83 5.044,84 14.826,85 25.654,86 25.654,87 25.654,88 25.654,89 25.654,90 3.414,91 9.564,92 27.164,93 1.77,94 406.428,95 67,96 5.148,97 352.163,98 9.244,99 1.451,100 0.098,101 55.218,102 223.385,103 28.994,104 1.667,105 5.213,106 1.468,107 0.192,108 352.163,109 11.528,110 3122.21,111 1.726,112 3.265,113 0.494,114 5.181,115 194.131,116 697.344,117 56579.6,118 1.729,119 26805,120 8.528,121 31.697,122 0.107,123 4.885,124 13.083,125 1401,126 3.498,127 28.104,128 3.692,129 2.566,130 3,131 10.744,132 2.783,133 2.783,134 14.524,135 4.404,136 1.942,137 1.942,138 5.254,139 5.963}
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{0 CHEMBL462514,1 1.119,2 1.442,3 169.379,4 3.016,5 1.463,6 2.993,7 1.668,8 92.659,9 1.157,10 1.212,11 3.184,12 1.012,13 2.5,14 3.225,15 1.364,16 1.292,17 1.621,18 4.185,19 4.895,20 1,21 5.497,22 2,23 4.732,24 25.503,25 1,26 1,27 4.131,28 33.307,29 2.094,30 2.094,31 0.974,32 4.351,33 2.384,34 43.012,35 1.272,36 5.118,37 5.384,38 70.77,39 3.792,40 1,41 22.047,42 0.988,43 0.988,44 4.142,45 4.232,46 236.966,47 2.72,48 3.782,49 1.488,50 1.88,51 3.509,52 1.981,53 3.6,54 4.165,55 4.334,56 452.69,57 5.068,58 0.077,59 3.525,60 3.356,61 63.429,62 1,63 3.515,64 5.268,65 41.541,66 2.361,67 25.341,68 5.134,69 3.458,70 11.738,71 2.136,72 2.136,73 5.84,74 3.869,75 0.081,76 5.269,77 2.659,78 296.039,79 339.059,80 17.905,81 66,82 0.169,83 5.005,84 14.928,85 25.085,86 25.085,87 25.085,88 25.085,89 25.085,90 3.247,91 9.561,92 26.353,93 1.698,94 376.569,95 63,96 1.701,97 345.814,98 9.142,99 1.606,100 0.104,101 46.174,102 203.183,103 25.784,104 1.82,105 5.206,106 1.41,107 0.195,108 345.814,109 11.482,110 2577,111 1.901,112 3.112,113 0.268,114 5.071,115 184.75,116 630.984,117 42015,118 1.878,119 19971,120 8.361,121 20.992,122 0.116,123 4.591,124 11.633,125 1064,126 3.371,127 26.363,128 3.642,129 2.22,130 1,131 8.829,132 2.812,133 2.812,134 13.701,135 4.288,136 1.757,137 1.757,138 5.175,139 7.745}
{0 CHEMBL464552,1 1.164,2 1.677,3 315.729,4 2.965,5 1.675,6 2.954,7 1.69,8 181.801,9 1.225,10 1.385,11 3.187,12 0.912,13 2.314,14 3.262,15 1.539,16 1.57,17 1.691,18 4.166,19 5.055,20 1.059,21 5.759,22 2.069,23 4.868,24 27.04,25 1.087,26 1.087,27 4.197,28 40.42,29 2.461,30 2.461,31 0.928,32 4.466,33 2.234,34 44.722,35 1.163,36 5.323,37 5.591,38 77.522,39 3.803,41 23.417,42 1,43 1,44 4.121,45 4.338,46 280.218,47 2.974,48 3.818,49 1.68,50 1.875,51 3.542,52 1.936,53 3.501,54 4.196,55 4.393,56 459.02,57 5.189,58 0.072,59 3.48,60 3.733,61 69.029,62 1.129,63 3.456,64 5.413,65 43.494,66 2.301,67 27.026,68 5.202,69 3.464,70 12.077,71 2.719,72 2.719,73 6.432,74 3.79,75 0.075,76 5.394,77 2.881,78 355.153,79 380.928,80 18.782,81 72,82 0.156,83 5.056,84 15.139,85 26.273,86 26.273,87 26.273,88 26.273,89 26.273,90 3.699,91 9.768,92 28.263,93 1.908,94 413.947,95 68,96 3.608,97 380.928,98 9.297,99 1.571,100 0.097,101 42.312,102 216.448,103 26.875,104 1.717,105 5.235,106 1.636,107 0.188,108 380.928,109 11.718,110 2860.34,111 1.812,112 3.067,113 0.586,114 5.204,115 204.131,116 636.818,117 47506.8,118 1.881,119 22951,120 8.583,121 26.231,122 0.106,123 4.658,124 13.526,125 1114,126 3.351,127 27.681,128 3.693,129 2.458,130 2,131 8.877,132 3.037,133 3.037,134 14.491,135 4.335,136 2.007,137 2.007,138 5.259,139 5}
{0 CHEMBL468280,1 0.163,2 0.867,3 52.217,4 1.965,5 0.823,6 1.971,7 0.941,8 30.046,9 0.226,10 0.483,11 2.35,12 0.102,13 0.051,14 2.435,15 0.562,16 0.455,17 0.872,18 4.079,19 4.083,20 -1.132,21 4.431,22 -0.323,23 3.976,24 12.587,25 -1.291,26 -1.291,27 3.466,28 8.921,29 -4.042,30 -4.042,31 -1.266,32 3.554,33 -0.171,34 19.216,35 -1.744,36 4.7,37 4.7,38 30.569,39 3.022,41 11.094,42 -1.404,43 -1.404,44 4.064,45 3.488,46 110.772,47 1.702,48 3.067,49 0.922,50 1.358,51 2.722,52 -0.585,53 2.926,54 3.421,55 3.681,56 211.09,57 4.225,58 0.158,59 2.942,60 2,61 28.556,62 -1.089,63 2.912,64 4.343,65 19.505,66 1.574,67 12.918,68 4.135,69 2.669,70 5.452,71 -3.424,72 -3.424,73 3.319,74 1.696,75 0.161,76 4.329,77 1.148,78 119.627,79 121.627,80 9.041,81 29,82 0.338,83 4.2,84 6.944,85 12.577,86 12.577,87 12.577,88 12.577,89 12.577,90 1.488,91 4.365,92 13.353,93 0.683,94 128.382,95 27,96 1.626,97 121.627,98 7.247,99 1.005,100 0.208,101 9.873,102 78.535,103 12.449,104 1.053,105 4.325,106 0.699,107 0.274,108 121.627,109 5.338,110 463.884,111 1.161,112 2.162,114 4.199,115 80.711,116 297.109,117 4370.18,118 1.446,119 2594,120 4.139,121 5.74,122 0.224,123 2.901,124 5.386,125 251,126 2.617,127 13.732,128 3.014,129 1.036,130 1,131 3.822,132 2.483,133 2.483,134 7.058,135 3.527,136 0.71,137 0.71,138 4.223,139 5.8}
{0 CHEMBL474432,1 1.052,2 1.396,3 139.8,4 2.919,5 1.441,6 2.878,7 1.506,8 164.564,9 1.09,10 1.161,11 3.146,12 0.575,13 1.793,14 3.18,15 1.34,16 1.205,17 1.518,18 4.169,19 4.698,20 0.481,21 5.412,22 1.442,23 4.59,24 22.001,25 0.548,26 0.548,27 3.986,28 34.528,29 0.636,30 0.636,31 0.3,32 4.133,33 1.629,34 34.597,35 0.417,36 5.075,37 5.323,38 56.72,39 3.591,40 2,41 19.348,42 0.356,43 0.356,44 4.14,45 4.065,46 196.277,47 2.634,48 3.617,49 1.486,50 1.633,51 3.315,52 1.225,53 3.317,54 3.959,55 4.22,56 372.39,57 4.836,58 0.084,59 3.28,60 3.156,61 52.407,62 0.855,63 3.238,64 5.116,65 34.695,66 2.132,67 22.897,68 4.943,69 3.25,70 9.28,71 1.333,72 1.333,73 5.979,74 2.607,75 0.094,76 4.959,77 2.47,78 230.277,79 249.928,80 15.723,81 53,82 0.201,83 4.668,84 12.452,85 21.867,86 21.867,87 21.867,88 21.867,89 21.867,90 2.956,91 7.433,92 23.175,93 1.565,94 282.193,95 50,97 259.928,98 8.801,99 1.504,100 0.118,101 33.19,102 174.339,103 23.394,104 1.558,105 4.766,106 1.365,107 0.208,108 255.928,109 9.028,110 1968.17,111 1.576,112 3.055,113 0.269,114 4.937,115 161.71,116 522.666,117 29148.9,118 1.664,119 14502,120 7.194,121 16.653,122 0.13,123 4.198,124 9.779,125 828,126 3.325,127 23.75,128 3.532,129 2.188,131 8.037,132 3.004,133 3.004,134 12.735,135 4.058,136 1.717,137 1.717,138 5.017,139 5.8}
{0 CHEMBL475251,1 0.975,2 1.498,4 2.888,5 1.479,6 2.874,7 1.523,9 1.048,10 1.159,11 3.131,12 0.584,13 1.576,14 3.211,15 1.341,16 1.417,17 1.536,18 4.042,19 4.852,20 0.342,21 5.273,22 1.27,23 4.696,24 22.985,25 0.396,26 0.396,27 3.987,28 30.993,29 0.603,30 0.603,31 0.301,32 4.287,33 1.525,34 37.097,35 0.386,36 4.942,37 5.198,38 65.113,39 3.59,41 20.291,42 0.352,43 0.352,44 4.006,45 4.181,46 212.487,47 2.84,48 3.639,49 1.572,50 1.757,51 3.35,52 1.217,53 3.303,54 3.93,55 4.251,56 396.64,57 4.965,58 0.088,59 3.478,60 3.021,61 58.712,62 0.79,63 3.472,64 5.17,65 36.827,66 2.231,67 23.637,68 4.989,69 3.29,70 9.83,71 0.651,72 0.651,73 4.914,74 2.984,75 0.092,76 5.15,77 2.765,78 258.171,79 271.681,80 16.233,81 60,82 0.197,83 4.871,84 12.811,85 22.632,86 22.632,87 22.632,88 22.632,89 22.632,90 2.971,91 7.936,92 23.868,93 1.764,94 332.475,95 57,97 284.7,98 8.865,99 1.537,100 0.118,101 36.18,102 183.474,103 23.946,104 1.59,105 5.003,106 1.541,107 0.205,108 276.436,109 9.49,110 2179.36,111 1.723,112 2.979,113 0.469,114 4.971,115 162.974,116 567.606,117 33835.9,118 1.753,119 16879,120 7.486,121 21.622,122 0.123,123 4.336,124 11.993,125 963,126 3.339,127 24.457,128 3.56,129 2.402,131 7.518,132 2.921,133 2.921,134 12.559,135 4.072,136 1.912,137 1.912,138 5.062,139 6.398}
{0 CHEMBL475593,1 1.202,2 1.529,3 178.799,4 2.938,5 1.538,6 2.903,7 1.617,8 209.758,9 1.232,10 1.338,11 3.137,12 0.732,13 2.5,14 3.194,15 1.389,16 1.282,17 1.614,18 4.184,19 4.878,20 1,21 5.58,22 2,23 4.735,24 26.755,25 1,26 1,27 4.194,28 32.272,29 2.275,30 2.275,31 0.956,32 4.352,33 2.461,34 43.835,35 1.411,36 5.193,37 5.468,38 69.615,39 3.838,40 3,41 22.624,42 1,43 1,44 4.142,45 4.245,46 240.874,47 2.998,48 3.826,49 1.62,50 1.87,51 3.573,52 1.959,53 3.66,54 4.229,55 4.393,56 454.01,57 5.033,58 0.071,59 3.627,60 3.637,61 63.134,62 1.218,63 3.634,64 5.227,65 42.584,66 2.41,67 26.696,68 5.21,69 3.516,70 11.839,71 2.329,72 2.329,73 7.226,74 3.488,75 0.075,76 5.211,77 2.727,78 301.876,79 342.896,80 18.796,81 66,82 0.157,83 4.962,84 15.278,85 26.154,86 26.154,87 26.154,88 26.154,89 26.154,90 3.414,91 9.523,92 28.55,93 1.937,94 369.16,95 62,96 1.521,97 350.405,98 9.277,99 1.619,100 0.097,101 53.333,102 219.298,103 26.514,104 1.644,105 5.13,106 1.458,107 0.187,108 350.405,109 11.524,110 2978.56,111 1.838,112 3.077,113 0.433,114 5.03,115 202.131,116 623.234,117 51256.2,118 1.885,119 25425,120 8.472,121 18.803,122 0.108,123 4.858,124 11.526,125 1272,126 3.459,127 27.518,128 3.693,129 2.208,130 1,131 8.905,132 2.968,133 2.968,134 14.461,135 4.317,136 2.045,137 2.045,138 5.251,139 6.721}
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{0 CHEMBL481491,1 0.857,2 1.272,3 120.136,4 2.756,5 1.252,6 2.762,7 1.439,8 140.348,9 0.91,10 1.069,11 2.893,12 0.557,13 1.777,14 2.958,15 1.122,16 1.089,17 1.343,18 4.167,19 4.534,20 0.404,21 5.094,22 1.364,23 4.425,24 19.475,25 0.44,26 0.44,27 3.89,28 27.329,29 -0.95,30 -0.95,31 -0.341,32 3.998,33 0.922,34 30.716,35 -0.444,36 4.844,37 5.05,38 48.759,39 3.509,40 2,41 16.633,42 -0.367,43 -0.367,44 4.133,45 3.911,46 160.826,47 2.498,48 3.514,49 1.275,50 1.678,51 3.313,52 0.574,53 3.318,54 3.891,55 4.099,56 322.42,57 4.655,58 0.094,59 3.217,60 3.074,61 44.76,62 0.51,63 3.195,64 4.873,65 30.518,66 2.13,67 19.838,68 4.769,69 3.263,70 8.382,71 1.077,72 1.077,73 5.436,74 2.328,75 0.105,76 4.801,77 2.354,78 186.045,79 212.574,80 13.842,81 46,82 0.226,83 4.559,84 11.095,85 19.179,86 19.179,87 19.179,88 19.179,89 19.179,90 2.737,91 6.728,92 20.978,93 1.483,94 233.329,95 43,97 224.574,98 8.431,99 1.504,100 0.133,101 25.486,102 146.475,103 19.62,104 1.421,105 4.692,106 1.205,107 0.218,108 222.574,109 8.209,110 1439.87,111 1.519,112 2.781,113 0.162,114 4.688,115 136.127,116 434.29,117 19424.4,118 1.696,119 10490,120 6.167,121 11.407,122 0.145,123 3.959,124 7.745,125 646,126 3.242,127 20.596,128 3.408,129 1.547,131 6.767,132 2.946,133 2.946,134 11.208,135 3.954,136 1.526,137 1.526,138 4.833,139 5.8}
{0 CHEMBL481559,1 1.22,2 1.515,3 167.223,4 2.917,5 1.507,6 2.88,7 1.605,8 307.162,9 1.271,10 1.356,11 3.127,12 0.713,13 2.37,14 3.186,15 1.461,16 1.302,17 1.61,18 4.183,19 4.823,20 0.98,21 5.517,22 1.987,23 4.685,24 25.658,25 1,26 1,27 4.158,28 31.723,29 1.791,30 1.791,31 0.64,32 4.3,33 2.211,34 42.784,35 1.033,36 5.147,37 5.398,38 65.78,39 3.829,40 3,41 21.624,42 0.705,43 0.705,44 4.141,45 4.198,46 233.676,47 2.785,48 3.792,49 1.507,50 1.711,51 3.569,52 1.636,53 3.651,54 4.218,55 4.343,56 434.49,57 4.954,58 0.075,59 3.584,60 3.287,61 59.814,62 1,63 3.664,64 5.167,65 40.861,66 2.379,67 25.687,68 5.14,69 3.513,70 11.326,71 2.136,72 2.136,73 7.751,74 3.3,75 0.079,76 5.125,77 2.666,78 292.347,79 323.566,80 17.902,81 63,82 0.165,83 4.884,84 14.692,85 24.999,86 24.999,87 24.999,88 24.999,89 24.999,90 3.247,91 9.03,92 27.452,93 1.719,94 347.076,95 59,96 1.543,97 328.321,98 9.13,99 1.545,100 0.102,101 47.527,102 204.088,103 25.243,104 1.62,105 5.049,106 1.461,107 0.191,108 328.321,109 10.923,110 2613.15,111 1.676,112 3.067,113 0.45,114 4.976,115 188.75,116 605.529,117 42984,118 1.735,119 21964,120 8.056,121 19.476,122 0.113,123 4.723,124 10.967,125 1107,126 3.45,127 25.941,128 3.642,129 2.137,130 1,131 8.811,132 2.966,133 2.966,134 13.704,135 4.268,136 1.851,137 1.851,138 5.176,139 6.721}
{0 CHEMBL481567,1 1.226,2 1.614,3 167.223,4 2.921,5 1.616,6 2.882,7 1.726,8 307.162,9 1.284,10 1.36,11 3.133,12 1.016,13 2.356,14 3.192,15 1.508,16 1.446,17 1.703,18 4.184,19 4.986,20 0.985,21 5.517,22 1.991,23 4.816,24 26.127,25 1,26 1,27 4.195,28 38.837,29 1.791,30 1.791,31 0.657,32 4.399,33 2.168,34 44.421,35 0.991,36 5.147,37 5.398,38 73.105,39 3.842,40 2,41 22.207,42 0.705,43 0.705,44 4.141,45 4.279,46 248.147,47 2.815,48 3.814,49 1.62,50 1.793,51 3.573,52 1.655,53 3.66,54 4.249,55 4.343,56 449.46,57 5.086,58 0.075,59 3.579,60 3.287,61 65.389,62 1,63 3.596,64 5.277,65 42.255,66 2.401,67 25.524,68 5.14,69 3.516,70 12.088,71 2.136,72 2.136,73 7.63,74 3.913,75 0.079,76 5.285,77 2.67,78 313.215,79 349.944,80 17.902,81 69,82 0.165,83 5.058,84 14.692,85 24.999,86 24.999,87 24.999,88 24.999,89 24.999,90 3.247,91 9.714,92 27.452,93 1.771,94 391.454,95 65,96 3.847,97 352.699,98 9.13,99 1.53,100 0.102,101 47.527,102 204.088,103 25.43,104 1.737,105 5.262,106 1.611,107 0.191,108 352.699,109 11.763,110 2613.15,111 1.838,112 3.068,113 0.526,114 5.074,115 184.75,116 622.442,117 42984,118 1.758,119 21964,120 8.056,121 25.554,122 0.113,123 4.723,124 11.883,125 1107,126 3.453,127 25.941,128 3.642,129 2.185,130 2,131 9.788,132 2.966,133 2.966,134 13.755,135 4.341,136 1.851,137 1.851,138 5.176,139 5.745}
{0 CHEMBL481720,1 1.142,2 1.586,3 167.223,4 2.907,5 1.614,6 2.866,7 1.629,8 307.162,9 1.247,10 1.285,11 3.126,12 0.726,13 2.37,14 3.187,15 1.491,16 1.395,17 1.614,18 4.184,19 4.853,20 0.987,21 5.517,22 1.992,23 4.703,24 25.552,25 1,26 1,27 4.152,28 31.769,29 1.791,30 1.791,31 0.666,32 4.332,33 2.211,34 42.142,35 1.033,36 5.147,37 5.398,38 67.358,39 3.792,40 3,41 21.624,42 0.705,43 0.705,44 4.142,45 4.217,46 239.768,47 2.81,48 3.779,49 1.58,50 1.731,51 3.572,52 1.668,53 3.659,54 4.191,55 4.343,56 426.98,57 4.987,58 0.075,59 3.566,60 3.287,61 60.84,62 1,63 3.554,64 5.205,65 40.696,66 2.408,67 25.467,68 5.14,69 3.515,70 11.325,71 2.136,72 2.136,73 6.997,74 3.342,75 0.079,76 5.165,77 2.668,78 299.684,79 330.904,80 17.902,81 64,82 0.165,83 4.911,84 14.692,85 24.999,86 24.999,87 24.999,88 24.999,89 24.999,90 3.247,91 9.118,92 27.452,93 1.763,94 354.413,95 60,96 1.54,97 335.659,98 9.13,99 1.616,100 0.102,101 47.527,102 204.088,103 24.87,104 1.62,105 5.083,106 1.443,107 0.191,108 335.659,109 11.016,110 2613.15,111 1.732,112 3.065,113 0.326,114 5.004,115 185.995,116 594.446,117 42984,118 1.74,119 21964,120 8.056,121 19.237,122 0.113,123 4.723,124 11.05,125 1107,126 3.456,127 25.941,128 3.642,129 2.137,130 1,131 8.47,132 2.966,133 2.966,134 13.686,135 4.264,136 1.851,137 1.851,138 5.176,139 8.699}
{0 CHEMBL481721,1 1.207,2 1.535,3 172.307,4 2.94,5 1.539,6 2.908,7 1.617,8 202.274,9 1.244,10 1.355,11 3.136,12 0.734,13 2.5,14 3.193,15 1.402,16 1.293,17 1.614,18 4.183,19 4.872,20 1,21 5.557,22 2,23 4.725,24 26.334,25 1,26 1,27 4.181,28 33.689,29 2.136,30 2.136,31 0.956,32 4.347,33 2.408,34 43.898,35 1.355,36 5.17,37 5.425,38 69.275,39 3.839,40 3,41 22.202,42 1,43 1,44 4.141,45 4.238,46 232.59,47 2.828,48 3.818,49 1.62,50 1.87,51 3.573,52 1.959,53 3.66,54 4.227,55 4.37,56 447.94,57 5.012,58 0.073,59 3.635,60 3.44,61 62.622,62 1.019,63 3.651,64 5.215,65 42.201,66 2.407,67 26.179,68 5.18,69 3.516,70 11.765,71 2.165,72 2.165,73 7.105,74 3.508,75 0.077,76 5.192,77 2.678,78 296.3,79 342.405,80 18.402,81 66,82 0.161,83 4.954,84 15.192,85 25.706,86 25.706,87 25.706,88 25.706,89 25.706,90 3.261,91 9.47,92 28.145,93 1.788,94 369.16,95 62,96 1.542,97 350.405,98 9.205,99 1.619,100 0.099,101 50.125,102 211.622,103 25.616,104 1.654,105 5.128,106 1.466,107 0.188,108 350.405,109 11.432,110 2789.84,111 1.838,112 3.072,113 0.444,114 5.02,115 195.421,116 620.4,117 46937.9,118 1.885,119 23658,120 8.306,121 19.854,122 0.111,123 4.799,124 11.467,125 1183,126 3.454,127 26.648,128 3.668,129 2.133,130 1,131 8.874,132 2.962,133 2.962,134 14.068,135 4.306,136 1.862,137 1.862,138 5.214,139 6.187}
{0 CHEMBL481738,1 1.207,2 1.532,3 183.713,4 3.042,5 1.54,6 3.022,7 1.617,8 214.404,9 1.244,10 1.349,11 3.182,12 0.732,13 2.619,14 3.233,15 1.399,16 1.281,17 1.614,18 4.184,19 4.878,20 1.009,21 5.609,22 2.016,23 4.736,24 27.442,25 1.04,26 1.04,27 4.215,28 33.598,29 2.218,30 2.218,31 1,32 4.361,33 2.5,34 45.142,35 1.36,36 5.226,37 5.481,38 70.358,39 3.866,40 3,41 23.455,42 1,43 1,44 4.142,45 4.255,46 248.282,47 3,48 3.85,49 1.62,50 1.87,51 3.573,52 2,53 3.661,54 4.253,55 4.418,56 470.96,57 5.045,58 0.069,59 3.653,60 3.64,61 63.84,62 1.323,63 3.665,64 5.255,65 43.696,66 2.413,67 27.51,68 5.248,69 3.517,70 12.142,71 2.564,72 2.564,73 7.374,74 3.565,75 0.073,76 5.219,77 2.728,78 312.039,79 353.059,80 19.334,81 67,82 0.154,83 4.97,84 15.817,85 27.024,86 27.024,87 27.024,88 27.024,89 27.024,90 3.472,91 9.77,92 29.244,93 1.946,94 376.569,95 63,96 1.527,97 357.814,98 9.351,99 1.619,100 0.095,101 55.515,102 226.734,103 27.05,104 1.645,105 5.137,106 1.458,107 0.185,108 357.814,109 11.798,110 3154.69,111 1.838,112 3.138,113 0.422,114 5.061,115 208.877,116 650,117 55413.9,118 1.885,119 27076,120 8.806,121 18.63,122 0.106,123 4.921,124 11.833,125 1309,126 3.464,127 28.225,128 3.717,129 2.39,130 1,131 8.744,132 2.978,133 2.978,134 14.78,135 4.355,136 2.043,137 2.043,138 5.289,139 7.046}
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{0 CHEMBL485203,1 0.916,2 1.346,3 151.35,4 2.806,5 1.368,6 2.807,7 1.607,8 82.417,9 0.968,10 1.075,11 2.992,12 0.689,13 2.358,14 3.062,15 1.197,16 1.193,17 1.598,18 4.183,19 4.772,20 0.96,21 5.371,22 1.972,23 4.621,24 23.322,25 0.987,26 0.987,27 4.054,28 28.535,29 1.175,30 1.175,31 0.509,32 4.243,33 1.925,34 39.102,35 0.664,36 5.004,37 5.252,38 62.801,39 3.699,40 1,41 19.639,42 0.506,43 0.506,44 4.14,45 4.13,46 206.012,47 2.706,48 3.693,49 1.472,50 1.858,51 3.389,52 1.526,53 3.526,54 4.08,55 4.252,56 410.28,57 4.946,58 0.083,59 3.498,60 3.247,61 56.767,62 1,63 3.483,64 5.132,65 37.82,66 2.247,67 23.019,68 5.006,69 3.347,70 10.41,71 2.136,72 2.136,73 5.61,74 3.143,75 0.087,76 5.134,77 2.658,78 252.683,79 291.702,80 16.329,81 59,82 0.183,83 4.874,84 13.282,85 22.637,86 22.637,87 22.637,88 22.637,89 22.637,90 3.155,91 8.398,92 24.274,93 1.677,94 325.212,95 56,96 1.531,97 298.457,98 8.89,99 1.595,100 0.113,101 40.747,102 182.062,103 23.645,104 1.62,105 5.049,106 1.269,107 0.203,108 298.457,109 10.139,110 2133.38,111 1.835,112 2.956,113 0.225,114 4.926,115 164.974,116 570.633,117 32749.5,118 1.865,119 16320,120 7.444,121 17.302,122 0.126,123 4.397,124 10.326,125 933,126 3.239,127 24.242,128 3.561,129 2.108,130 1,131 7.639,132 2.804,133 2.804,134 12.573,135 4.197,136 1.748,137 1.748,138 5.053,139 5.886}
{0 CHEMBL485206,1 1.08,2 1.467,3 163.309,4 2.98,5 1.45,6 2.992,7 1.611,8 88.567,9 1.139,10 1.214,11 3.155,12 0.689,13 2.5,14 3.236,15 1.358,16 1.289,17 1.609,18 4.184,19 4.842,20 0.977,21 5.442,22 1.983,23 4.68,24 24.645,25 0.998,26 0.998,27 4.106,28 32.393,29 1.175,30 1.175,31 0.548,32 4.306,33 2.356,34 41.25,35 1.024,36 5.075,37 5.308,38 67.355,39 3.751,40 1,41 20.917,42 0.572,43 0.572,44 4.141,45 4.189,46 231.577,47 2.717,48 3.746,49 1.571,50 1.861,51 3.439,52 1.536,53 3.534,54 4.128,55 4.305,56 435.39,57 5.048,58 0.078,59 3.5,60 3.247,61 60.545,62 1.218,63 3.484,64 5.243,65 40.014,66 2.41,67 24.263,68 5.083,69 3.4,70 11.074,71 2.136,72 2.136,73 5.861,74 3.421,75 0.083,76 5.243,77 2.659,78 287.34,79 325.394,80 17.278,81 63,82 0.174,83 4.927,84 13.97,85 24.007,86 24.007,87 24.007,88 24.007,89 24.007,90 3.155,91 8.96,92 25.372,93 1.697,94 354.413,95 60,96 1.523,97 330.904,98 9.054,99 1.598,100 0.107,101 44.63,102 196.509,103 24.814,104 1.62,105 5.101,106 1.459,107 0.199,108 330.904,109 10.758,110 2441.65,111 1.836,112 3.003,113 0.258,114 5.029,115 182.117,116 604.907,117 39168.1,118 1.871,119 18922,120 7.972,121 19.432,122 0.119,123 4.514,124 11.55,125 1035,126 3.448,127 25.819,128 3.616,129 2.207,130 1,131 8.205,132 2.925,133 2.925,134 13.311,135 4.269,136 1.754,137 1.754,138 5.136,139 5.721}
{0 CHEMBL485232,1 1.057,2 1.429,3 144.876,4 2.91,5 1.381,6 2.941,7 1.634,8 79.065,9 1.132,10 1.153,11 3.111,12 0.846,13 2,14 3.206,15 1.405,16 1.471,17 1.606,18 4.183,19 4.942,20 0.913,21 5.323,22 1.92,23 4.757,24 23.27,25 0.927,26 0.927,27 4.071,28 35.6,29 1.175,30 1.175,31 0.509,32 4.334,33 1.882,34 39.773,35 0.627,36 4.99,37 5.22,38 69.185,39 3.707,40 1,41 19.929,42 0.506,43 0.506,44 4.139,45 4.203,46 228.336,47 2.663,48 3.693,49 1.513,50 1.86,51 3.402,52 1.525,53 3.531,54 4.115,55 4.225,56 407.59,57 5.11,58 0.085,59 3.497,60 3.247,61 61.312,62 1,63 3.483,64 5.279,65 38.068,66 2.247,67 22.5,68 4.971,69 3.353,70 11.058,71 2.136,72 2.136,73 6.135,74 3.817,75 0.09,76 5.34,77 2.605,78 295.436,79 323.51,80 15.936,81 64,82 0.188,83 5.051,84 13.196,85 22.19,86 22.19,87 22.19,88 22.19,89 22.19,90 3.155,91 8.979,92 23.868,93 1.646,94 361.775,95 61,96 1.686,97 329.02,98 8.805,99 1.593,100 0.116,101 38.492,102 174.763,103 23.093,104 1.639,105 5.273,106 1.477,107 0.205,108 329.02,109 10.835,110 1980.15,111 1.836,112 2.867,113 0.485,114 5.048,115 162.465,116 576.644,117 29674.2,118 1.869,119 15043,120 7.278,121 24.226,122 0.129,123 4.337,124 11.05,125 867,126 3.239,127 23.372,128 3.532,129 2.093,130 1,131 8.959,132 2.777,133 2.777,134 12.282,135 4.252,136 1.678,137 1.678,138 5.011,139 8.301}
{0 CHEMBL485233,1 1.064,2 1.484,3 140.157,4 2.91,5 1.536,6 2.928,7 1.587,8 169.416,9 1.153,10 1.232,11 3.111,12 0.825,13 2,14 3.206,15 1.429,16 1.473,17 1.591,18 4.183,19 4.915,20 0.618,21 5.293,22 1.618,23 4.737,24 22.52,25 0.618,26 0.618,27 4.039,28 34.937,29 1.175,30 1.175,31 0.509,32 4.303,33 1.882,34 38.222,35 0.627,36 4.963,37 5.198,38 66.896,39 3.664,40 2,41 19.351,42 0.506,43 0.506,44 4.139,45 4.179,46 221.778,47 2.663,48 3.659,49 1.525,50 1.719,51 3.387,52 1.525,53 3.53,54 4.073,55 4.193,56 390.72,57 5.062,58 0.087,59 3.496,60 3.153,61 59.538,62 0.777,63 3.482,64 5.254,65 36.761,66 2.247,67 21.728,68 4.925,69 3.337,70 10.68,71 1.372,72 1.372,73 5.956,74 3.697,75 0.092,76 5.285,77 2.577,78 282.737,79 308.811,80 15.436,81 62,82 0.193,83 5.019,84 12.696,85 21.482,86 21.482,87 21.482,88 21.482,89 21.482,90 3,91 8.669,92 23.175,93 1.644,94 347.076,95 59,96 1.68,97 314.321,98 8.716,99 1.516,100 0.119,101 36.5,102 167.638,103 22.403,104 1.639,105 5.239,106 1.513,107 0.208,108 314.321,109 10.483,110 1838.64,111 1.681,112 2.866,113 0.498,114 5.026,115 156,116 553.502,117 26897.9,118 1.76,119 13827,120 7.028,121 23.724,122 0.133,123 4.26,124 10.683,125 805,126 3.239,127 22.665,128 3.502,129 2.094,130 1,131 8.859,132 2.787,133 2.787,134 11.915,135 4.19,136 1.677,137 1.677,138 4.967,139 8}
{0 CHEMBL485378,1 1.064,2 1.54,3 163.677,4 2.983,5 1.515,6 2.982,7 1.642,8 88.754,9 1.153,10 1.33,11 3.138,12 0.945,13 2.392,14 3.206,15 1.429,16 1.513,17 1.641,18 4.192,19 5.048,20 1,21 5.58,22 2,23 4.874,24 26.802,25 1,26 1,27 4.26,28 42.071,29 2.136,30 2.136,31 1,32 4.425,33 2.251,34 47.205,35 1.217,36 5.106,37 5.425,38 77.086,39 3.919,40 1,41 22.376,42 1,43 1,44 4.151,45 4.309,46 235.401,47 2.727,48 3.871,49 1.64,50 1.986,51 3.441,52 2,53 3.614,54 4.334,55 4.347,56 473.57,57 5.234,58 0.075,59 3.763,60 3.414,61 68.538,62 1,63 3.772,64 5.441,65 44.223,66 2.408,67 25.55,68 5.15,69 3.403,70 13.02,71 2.275,72 2.275,73 7.687,74 4.497,75 0.079,76 5.458,77 2.681,78 316.985,79 364.469,80 17.991,81 73,82 0.165,83 5.183,84 14.935,85 25.206,86 25.206,87 25.206,88 25.206,89 25.206,90 3.247,91 10.478,92 27.739,93 1.688,94 421.488,95 69,96 1.775,97 372.733,98 9.144,99 1.819,100 0.102,101 47.294,102 203.378,103 25.542,104 1.772,105 5.401,106 1.582,107 0.19,108 372.733,109 12.671,110 2564.85,111 1.991,112 3.112,113 0.799,114 5.203,115 180.75,116 658.964,117 42272.5,118 1.971,119 21558,120 8.111,121 27.337,122 0.113,123 4.738,124 12.66,125 1053,126 3.45,127 25.777,128 3.642,129 2.141,130 1,131 11.328,132 2.804,133 2.804,134 13.789,135 4.479,136 1.774,137 1.774,138 5.175,139 4.699}
{0 CHEMBL485390,1 1.064,2 1.566,3 171.413,4 2.938,5 1.582,6 2.941,7 1.643,8 92.885,9 1.153,10 1.263,11 3.172,12 0.846,13 2.25,14 3.231,15 1.429,16 1.478,17 1.636,18 4.184,19 5.04,20 1,21 5.442,22 2,23 4.864,24 25.862,25 1,26 1,27 4.173,28 40.223,29 2.136,30 2.136,31 0.948,32 4.43,33 2,34 44.199,35 1,36 5.106,37 5.303,38 76.936,39 3.806,40 1,41 22.389,42 0.968,43 0.968,44 4.141,45 4.309,46 254.041,47 2.748,48 3.798,49 1.599,50 1.864,51 3.477,52 1.957,53 3.545,54 4.21,55 4.332,56 463.43,57 5.231,58 0.076,59 3.499,60 3.414,61 68.632,62 1.218,63 3.485,64 5.392,65 42.529,66 2.417,67 25.117,68 5.124,69 3.459,70 12.147,71 2.275,72 2.275,73 6.779,74 4.163,75 0.081,76 5.444,77 2.661,78 328.812,79 358.928,80 17.778,81 71,82 0.169,83 5.136,84 14.42,85 24.714,86 24.714,87 24.714,88 24.714,89 24.714,90 3.247,91 9.847,92 26.065,93 1.723,94 413.947,95 68,96 1.666,97 368.438,98 9.127,99 1.597,100 0.104,101 48.966,102 204.514,103 26.68,104 1.639,105 5.343,106 1.513,107 0.196,108 368.438,109 11.863,110 2633.14,111 1.837,112 3.058,113 0.584,114 5.169,115 184.75,116 653.434,117 43516.6,118 1.875,119 20759,120 8.222,121 27.147,122 0.116,123 4.621,124 12.683,125 1114,126 3.461,127 26.526,128 3.642,129 2.225,130 1,131 10.286,132 2.872,133 2.872,134 13.788,135 4.361,136 1.78,137 1.78,138 5.174,139 6.602}
{0 CHEMBL485399,1 1.064,2 1.595,3 171.413,4 2.969,5 1.618,6 2.956,7 1.648,8 92.885,9 1.153,10 1.324,11 3.182,12 0.846,13 2.25,14 3.238,15 1.429,16 1.478,17 1.64,18 4.185,19 5.058,20 1,21 5.442,22 2,23 4.872,24 25.96,25 1,26 1,27 4.183,28 41.155,29 2.136,30 2.136,31 0.952,32 4.45,33 2,34 44.75,35 1,36 5.106,37 5.303,38 78.225,39 3.819,40 1,41 22.389,42 0.968,43 0.968,44 4.141,45 4.319,46 254.337,47 2.752,48 3.804,49 1.639,50 1.865,51 3.552,52 1.96,53 3.555,54 4.228,55 4.332,56 465.64,57 5.238,58 0.076,59 3.499,60 3.414,61 69.407,62 1.091,63 3.485,64 5.418,65 42.836,66 2.417,67 25.017,68 5.124,69 3.49,70 12.301,71 2.275,72 2.275,73 6.848,74 4.267,75 0.081,76 5.456,77 2.661,78 326.353,79 362.469,80 17.778,81 72,82 0.169,83 5.162,84 14.42,85 24.714,86 24.714,87 24.714,88 24.714,89 24.714,90 3.247,91 9.979,92 26.065,93 1.732,94 421.488,95 69,96 1.671,97 375.978,98 9.127,99 1.598,100 0.104,101 48.966,102 204.514,103 26.68,104 1.683,105 5.377,106 1.513,107 0.196,108 371.978,109 12.011,110 2633.14,111 1.837,112 3.073,113 0.662,114 5.187,115 184.75,116 655.471,117 43516.6,118 1.877,119 20759,120 8.222,121 27.528,122 0.116,123 4.621,124 12.767,125 1114,126 3.461,127 26.526,128 3.642,129 2.225,130 1,131 10.251,132 2.872,133 2.872,134 13.794,135 4.378,136 1.78,137 1.78,138 5.174,139 5}
{0 CHEMBL485402,1 1.048,2 1.429,3 144.876,4 2.91,5 1.377,6 2.935,7 1.634,8 79.065,9 1.13,10 1.153,11 3.111,12 0.846,13 2,14 3.206,15 1.405,16 1.465,17 1.602,18 4.183,19 4.942,20 0.906,21 5.323,22 1.914,23 4.757,24 23.27,25 0.927,26 0.927,27 4.071,28 36.407,29 1.175,30 1.175,31 0.509,32 4.334,33 1.882,34 39.773,35 0.627,36 4.99,37 5.22,38 69.185,39 3.707,40 1,41 19.929,42 0.506,43 0.506,44 4.139,45 4.203,46 228.336,47 2.663,48 3.693,49 1.513,50 1.86,51 3.398,52 1.525,53 3.531,54 4.115,55 4.225,56 407.59,57 5.108,58 0.085,59 3.496,60 3.247,61 61.312,62 1,63 3.483,64 5.296,65 38.068,66 2.247,67 22.509,68 4.971,69 3.347,70 11.058,71 2.136,72 2.136,73 6.154,74 3.817,75 0.09,76 5.335,77 2.599,78 291.436,79 315.51,80 15.936,81 64,82 0.188,83 5.051,84 13.196,85 22.19,86 22.19,87 22.19,88 22.19,89 22.19,90 3.155,91 8.977,92 23.868,93 1.644,94 361.775,95 61,96 1.688,97 321.02,98 8.805,99 1.593,100 0.116,101 38.492,102 174.763,103 23.093,104 1.639,105 5.273,106 1.474,107 0.205,108 321.02,109 10.836,110 1980.15,111 1.835,112 2.866,113 0.477,114 5.063,115 158.465,116 576.644,117 29674.2,118 1.869,119 15043,120 7.278,121 24.226,122 0.129,123 4.337,124 11.05,125 867,126 3.239,127 23.372,128 3.532,129 2.093,130 1,131 8.959,132 2.777,133 2.777,134 12.281,135 4.256,136 1.678,137 1.678,138 5.011,139 7.602}
{0 CHEMBL485555,1 1.064,2 1.429,3 155.757,4 2.939,5 1.403,6 2.941,7 1.637,8 84.6,9 1.153,10 1.158,11 3.113,12 0.846,13 2.25,14 3.206,15 1.405,16 1.472,17 1.614,18 4.184,19 4.957,20 0.925,21 5.403,22 1.933,23 4.778,24 24.508,25 0.932,26 0.932,27 4.127,28 36.61,29 1.175,30 1.175,31 0.509,32 4.356,33 2,34 41.773,35 0.868,36 5.043,37 5.278,38 71.185,39 3.763,40 1,41 21.182,42 0.506,43 0.506,44 4.14,45 4.23,46 239.088,47 2.71,48 3.748,49 1.513,50 1.863,51 3.427,52 1.525,53 3.536,54 4.173,55 4.28,56 436.91,57 5.151,58 0.08,59 3.499,60 3.247,61 63.312,62 1.177,63 3.485,64 5.315,65 40.068,66 2.305,67 23.763,68 5.05,69 3.386,70 11.602,71 2.136,72 2.136,73 6.465,74 3.962,75 0.085,76 5.377,77 2.659,78 304.188,79 338.304,80 16.867,81 66,82 0.178,83 5.087,84 13.821,85 23.507,86 23.507,87 23.507,88 23.507,89 23.507,90 3.155,91 9.413,92 24.967,93 1.691,94 376.569,95 63,96 1.67,97 343.814,98 8.976,99 1.597,100 0.11,101 42.323,102 189.107,103 24.6,104 1.639,105 5.303,106 1.484,107 0.2,108 343.814,109 11.356,110 2275.54,111 1.837,112 3.031,113 0.492,114 5.089,115 175.525,116 611.563,117 35706.6,118 1.873,119 17505,120 7.778,121 23.931,122 0.122,123 4.46,124 11.55,125 964,126 3.315,127 24.949,128 3.589,129 2.231,130 1,131 9.529,132 2.838,133 2.838,134 13.016,135 4.32,136 1.747,137 1.747,138 5.096,139 8.398}
{0 CHEMBL485556,1 1.064,2 1.429,3 157.989,4 2.91,5 1.415,6 2.941,7 1.638,8 85.876,9 1.153,10 1.174,11 3.111,12 0.846,13 2.25,14 3.206,15 1.406,16 1.473,17 1.616,18 4.184,19 4.957,20 0.977,21 5.398,22 1.983,23 4.778,24 24.508,25 0.997,26 0.997,27 4.127,28 36.933,29 1.175,30 1.175,31 0.509,32 4.356,33 2,34 41.773,35 0.929,36 5.043,37 5.273,38 71.185,39 3.763,40 1,41 21.182,42 0.506,43 0.506,44 4.14,45 4.23,46 239.088,47 2.717,48 3.748,49 1.513,50 1.863,51 3.438,52 1.526,53 3.537,54 4.173,55 4.28,56 436.91,57 5.151,58 0.08,59 3.499,60 3.247,61 63.312,62 1,63 3.485,64 5.319,65 40.068,66 2.357,67 23.763,68 5.05,69 3.4,70 11.602,71 2.136,72 2.136,73 6.487,74 3.962,75 0.085,76 5.377,77 2.659,78 300.188,79 330.304,80 16.867,81 66,82 0.178,83 5.087,84 13.781,85 23.507,86 23.507,87 23.507,88 23.507,89 23.507,90 3.155,91 9.412,92 24.967,93 1.697,94 376.569,95 63,96 1.673,97 335.814,98 8.971,99 1.597,100 0.11,101 43.44,102 189.539,103 24.6,104 1.639,105 5.303,106 1.484,107 0.2,108 335.814,109 11.356,110 2297.36,111 1.837,112 2.952,113 0.491,114 5.087,115 171.525,116 611.563,117 36169.3,118 1.873,119 17745,120 7.778,121 23.931,122 0.122,123 4.483,124 11.55,125 1004,126 3.368,127 24.949,128 3.589,129 2.231,130 1,131 9.529,132 2.812,133 2.812,134 13.01,135 4.32,136 1.754,137 1.754,138 5.094,139 8.199}
{0 CHEMBL485564,1 1.064,2 1.438,3 140.157,4 2.91,5 1.423,6 2.93,7 1.566,8 169.416,9 1.153,10 1.253,11 3.111,12 0.825,13 2,14 3.206,15 1.429,16 1.473,17 1.573,18 4.182,19 4.906,20 0.509,21 5.293,22 1.525,23 4.729,24 22.724,25 0.618,26 0.618,27 4.066,28 35.956,29 1.175,30 1.175,31 0.506,32 4.295,33 1.882,34 39.415,35 0.627,36 4.963,37 5.198,38 66.607,39 3.723,40 2,41 19.351,42 0.506,43 0.506,44 4.139,45 4.171,46 221.778,47 2.662,48 3.683,49 1.513,50 1.71,51 3.386,52 1.461,53 3.529,54 4.139,55 4.193,56 400.44,57 5.059,58 0.087,59 3.497,60 3.153,61 59.287,62 0.777,63 3.484,64 5.25,65 37.233,66 2.247,67 21.93,68 4.925,69 3.336,70 10.787,71 1.372,72 1.372,73 6.825,74 3.697,75 0.092,76 5.282,77 2.555,78 282.737,79 308.811,80 15.436,81 62,82 0.193,83 5.012,84 12.696,85 21.482,86 21.482,87 21.482,88 21.482,89 21.482,90 3,91 8.669,92 23.175,93 1.638,94 347.076,95 59,96 1.696,97 314.321,98 8.716,99 1.524,100 0.119,101 36.5,102 167.638,103 22.779,104 1.639,105 5.231,106 1.485,107 0.208,108 314.321,109 10.483,110 1838.64,111 1.68,112 2.866,113 0.606,114 5.022,115 156,116 567.092,117 26897.9,118 1.735,119 13827,120 7.028,121 25.05,122 0.133,123 4.26,124 10.683,125 805,126 3.239,127 22.665,128 3.502,129 2.094,130 1,131 9.788,132 2.787,133 2.787,134 11.929,135 4.223,136 1.677,137 1.677,138 4.967,139 6.046}
{0 CHEMBL485565,1 1.064,2 1.429,3 140.157,4 2.91,5 1.5,6 2.909,7 1.548,8 169.416,9 1.138,10 1.153,11 3.111,12 0.825,13 2,14 3.206,15 1.424,16 1.451,17 1.534,18 4.182,19 4.902,20 0.618,21 5.293,22 1.618,23 4.722,24 22.391,25 0.618,26 0.618,27 4.021,28 34.205,29 1.175,30 1.175,31 0.509,32 4.295,33 1.882,34 37.466,35 0.627,36 4.963,37 5.198,38 65.979,39 3.639,40 2,41 19.351,42 0.506,43 0.506,44 4.139,45 4.17,46 221.975,47 2.662,48 3.642,49 1.513,50 1.719,51 3.381,52 1.525,53 3.528,54 4.048,55 4.193,56 384.42,57 5.053,58 0.087,59 3.494,60 3.153,61 58.756,62 0.777,63 3.48,64 5.241,65 36.256,66 2.247,67 21.765,68 4.925,69 3.328,70 10.541,71 1.372,72 1.372,73 5.873,74 3.631,75 0.092,76 5.275,77 2.566,78 279.034,79 301.498,80 15.436,81 61,82 0.193,83 5.003,84 12.696,85 21.482,86 21.482,87 21.482,88 21.482,89 21.482,90 3,91 8.565,92 23.175,93 1.642,94 339.763,95 58,96 1.671,97 307.008,98 8.716,99 1.513,100 0.119,101 36.5,102 167.638,103 22.341,104 1.639,105 5.221,106 1.473,107 0.208,108 307.008,109 10.356,110 1838.64,111 1.655,112 2.866,113 0.466,114 5.012,115 156,116 549.386,117 26897.9,118 1.759,119 13827,120 7.028,121 22.893,122 0.133,123 4.26,124 10.55,125 805,126 3.239,127 22.665,128 3.502,129 2.094,130 1,131 8.394,132 2.787,133 2.787,134 11.896,135 4.168,136 1.677,137 1.677,138 4.967,139 8}
{0 CHEMBL485584,1 1.044,2 1.436,3 162.739,4 2.986,5 1.454,6 2.965,7 1.657,8 89.201,9 1.071,10 1.202,11 3.158,12 1.012,13 2.385,14 3.201,15 1.335,16 1.266,17 1.612,18 4.185,19 4.888,20 1,21 5.472,22 2,23 4.726,24 24.955,25 1,26 1,27 4.122,28 32.323,29 2.094,30 2.094,31 0.959,32 4.336,33 2.333,34 42.625,35 1.27,36 5.081,37 5.366,38 69.631,39 3.783,40 1,41 21.216,42 0.981,43 0.981,44 4.142,45 4.219,46 229.558,47 2.708,48 3.767,49 1.478,50 1.878,51 3.494,52 1.97,53 3.6,54 4.162,55 4.308,56 444.88,57 5.045,58 0.079,59 3.524,60 3.356,61 62.534,62 1,63 3.514,64 5.246,65 40.874,66 2.251,67 24.597,68 5.092,69 3.439,70 11.491,71 2.136,72 2.136,73 5.922,74 3.793,75 0.083,76 5.242,77 2.658,78 288.631,79 331.65,80 17.367,81 65,82 0.174,83 4.996,84 14.43,85 24.214,86 24.214,87 24.214,88 24.214,89 24.214,90 3.247,91 9.311,92 25.66,93 1.677,94 369.16,95 62,96 1.711,97 338.405,98 9.066,99 1.605,100 0.107,101 43.444,102 195.602,103 25.582,104 1.82,105 5.196,106 1.408,107 0.197,108 338.405,109 11.209,110 2399.95,111 1.901,112 3.122,113 0.261,114 5.052,115 178.117,116 622.786,117 38231,118 1.875,119 18430,120 8.028,121 21.076,122 0.119,123 4.507,124 11.326,125 989,126 3.243,127 25.656,128 3.616,129 2.126,130 1,131 8.91,132 2.804,133 2.804,134 13.346,135 4.28,136 1.751,137 1.751,138 5.137,139 7.268}
{0 CHEMBL485591,1 1.066,2 1.429,3 157.989,4 2.919,5 1.424,6 2.941,7 1.667,8 85.876,9 1.153,10 1.175,11 3.111,12 0.895,13 2.25,14 3.206,15 1.411,16 1.474,17 1.675,18 4.191,19 4.983,20 0.984,21 5.398,22 1.99,23 4.809,24 24.851,25 0.997,26 0.997,27 4.178,28 40.319,29 1.175,30 1.175,31 0.522,32 4.364,33 2,34 43.284,35 0.929,36 5.043,37 5.273,38 73.019,39 3.826,40 1,41 21.182,42 0.506,43 0.506,44 4.152,45 4.244,46 241.548,47 2.731,48 3.789,49 1.65,50 1.88,51 3.475,52 1.55,53 3.569,54 4.245,55 4.28,56 449.51,57 5.198,58 0.082,59 3.552,60 3.247,61 64.876,62 1,63 3.55,64 5.407,65 41.078,66 2.38,67 23.593,68 5.05,69 3.444,70 12.116,71 2.136,72 2.136,73 7.022,74 4.287,75 0.085,76 5.419,77 2.663,78 315.073,79 343.189,80 16.867,81 68,82 0.178,83 5.142,84 13.781,85 23.507,86 23.507,87 23.507,88 23.507,89 23.507,90 3.155,91 9.773,92 24.967,93 1.724,94 391.454,95 65,97 348.699,98 8.971,99 1.636,100 0.11,101 43.44,102 189.539,103 24.676,104 1.711,105 5.359,106 1.513,107 0.2,108 348.699,109 11.827,110 2297.36,111 1.868,112 2.971,113 0.755,114 5.17,115 171.525,116 630.419,117 36169.3,118 1.882,119 17745,120 7.778,121 25.173,122 0.122,123 4.483,124 11.933,125 1004,126 3.377,127 24.949,128 3.589,129 2.254,131 10.856,132 2.812,133 2.812,134 13.063,135 4.404,136 1.754,137 1.754,138 5.094,139 8.523}
{0 CHEMBL485607,1 1.064,2 1.429,3 151.35,4 2.91,5 1.377,6 2.941,7 1.633,8 82.417,9 1.133,10 1.153,11 3.111,12 0.846,13 2,14 3.206,15 1.405,16 1.469,17 1.606,18 4.183,19 4.948,20 0.956,21 5.371,22 1.971,23 4.771,24 24.071,25 0.987,26 0.987,27 4.124,28 36.535,29 1.175,30 1.175,31 0.509,32 4.34,33 1.882,34 41.881,35 0.627,36 5.004,37 5.252,38 69.944,39 3.766,40 1,41 20.351,42 0.506,43 0.506,44 4.14,45 4.216,46 231.679,47 2.705,48 3.737,49 1.513,50 1.861,51 3.406,52 1.526,53 3.533,54 4.186,55 4.252,56 433.17,57 5.127,58 0.083,59 3.498,60 3.247,61 62.323,62 1,63 3.485,64 5.298,65 39.598,66 2.247,67 23.047,68 5.006,69 3.364,70 11.373,71 2.136,72 2.136,73 6.846,74 3.886,75 0.087,76 5.351,77 2.658,78 292.78,79 322.896,80 16.329,81 65,82 0.183,83 5.076,84 13.282,85 22.637,86 22.637,87 22.637,88 22.637,89 22.637,90 3.155,91 9.161,92 24.274,93 1.672,94 369.16,95 62,96 1.692,97 328.405,98 8.89,99 1.596,100 0.113,101 40.747,102 182.062,103 24.588,104 1.639,105 5.292,106 1.474,107 0.203,108 328.405,109 11.084,110 2133.38,111 1.836,112 3.075,113 0.491,114 5.068,115 164.974,116 609.725,117 32749.5,118 1.868,119 16320,120 7.444,121 23.812,122 0.126,123 4.397,124 11.243,125 933,126 3.239,127 24.242,128 3.561,129 2.11,130 1,131 9.897,132 2.804,133 2.804,134 12.661,135 4.33,136 1.748,137 1.748,138 5.053,139 8.523}
{0 CHEMBL485626,1 1.098,2 1.516,3 171.198,4 2.926,5 1.491,6 2.924,7 1.629,8 93.584,9 1.164,10 1.188,11 3.171,12 0.69,13 2.5,14 3.248,15 1.378,16 1.296,17 1.612,18 4.183,19 4.859,20 0.984,21 5.442,22 1.991,23 4.704,24 25.179,25 1,26 1,27 4.109,28 33.243,29 1.406,30 1.406,31 0.614,32 4.325,33 2.364,34 41.705,35 0.929,36 5.106,37 5.313,38 68.564,39 3.749,40 1,41 21.815,42 0.654,43 0.654,44 4.141,45 4.214,46 238.938,47 2.944,48 3.757,49 1.563,50 1.86,51 3.433,52 1.613,53 3.536,54 4.117,55 4.332,56 444.18,57 5.043,58 0.076,59 3.5,60 3.414,61 61.872,62 1.064,63 3.484,64 5.263,65 40.729,66 2.368,67 25.26,68 5.124,69 3.398,70 11.139,71 2.275,72 2.275,73 5.844,74 3.372,75 0.081,76 5.229,77 2.685,78 292.211,79 326.265,80 17.799,81 64,82 0.169,83 4.931,84 14.365,85 24.825,86 24.825,87 24.825,88 24.825,89 24.825,90 3.345,91 9.023,92 26.065,93 1.887,94 361.775,95 61,96 1.499,97 330.265,98 9.124,99 1.597,100 0.104,101 49.049,102 204.645,103 25.746,104 1.624,105 5.096,106 1.484,107 0.196,108 330.265,109 10.847,110 2645.06,111 1.835,112 2.999,113 0.257,114 5.044,115 184.75,116 620.022,117 43686.9,118 1.87,119 20811,120 8.278,121 19.901,122 0.116,123 4.628,124 11.717,125 1163,126 3.383,127 26.526,128 3.642,129 2.493,130 1,131 8.209,132 2.813,133 2.813,134 13.66,135 4.255,136 1.993,137 1.993,138 5.173,139 5.959}
{0 CHEMBL485922,1 1.223,2 1.614,3 186.358,4 3.073,5 1.612,6 3.058,7 1.633,8 219.486,9 1.277,10 1.36,11 3.228,12 0.767,13 2.5,14 3.283,15 1.488,16 1.418,17 1.65,18 4.183,19 4.923,20 1,21 5.545,22 2,23 4.775,24 27.748,25 1,26 1,27 4.23,28 34.376,29 2.136,30 2.136,31 0.974,32 4.403,33 2.5,34 46.659,35 1.5,36 5.147,37 5.425,38 73.69,39 3.897,40 3,41 23.395,42 1,43 1,44 4.141,45 4.293,46 250.749,47 2.972,48 3.872,49 1.62,50 1.87,51 3.58,52 1.98,53 3.663,54 4.28,55 4.419,56 479.9,57 5.07,58 0.069,59 3.743,60 3.612,61 66.505,62 1.218,63 3.756,64 5.264,65 44.728,66 2.417,67 27.554,68 5.257,69 3.524,70 12.414,71 2.481,72 2.481,73 7.276,74 3.712,75 0.073,76 5.261,77 2.697,78 327.646,79 372.665,80 19.385,81 70,82 0.154,83 5.004,84 16.097,85 27.068,86 27.068,87 27.068,88 27.068,89 27.068,90 3.274,91 10.006,92 29.531,93 1.924,94 398.93,95 66,96 1.543,97 380.175,98 9.343,99 1.619,100 0.095,101 59.34,102 227.934,103 27.288,104 1.703,105 5.179,106 1.556,107 0.184,108 380.175,109 12.056,110 3204.96,111 1.838,112 3.146,113 0.459,114 5.062,115 208.877,116 662.895,117 57162.4,118 1.885,119 28228,120 8.778,121 21.359,122 0.106,123 5.026,124 12.133,125 1378,126 3.467,127 28.062,128 3.717,129 2.206,130 1,131 9.437,132 2.873,133 2.873,134 14.796,135 4.359,136 2.009,137 2.009,138 5.286,139 6.161}
{0 CHEMBL485936,1 1.213,2 1.606,3 180.934,4 3.039,5 1.617,6 3.024,7 1.654,8 338.395,9 1.264,10 1.358,11 3.207,12 0.733,13 2.5,14 3.266,15 1.523,16 1.424,17 1.615,18 4.184,19 4.905,20 1,21 5.529,22 2,23 4.754,24 26.966,25 1,26 1,27 4.199,28 33.413,29 2.136,30 2.136,31 0.962,32 4.388,33 2.362,34 44.904,35 1.287,36 5.136,37 5.407,38 71.773,39 3.853,40 3,41 22.818,42 0.982,43 0.982,44 4.141,45 4.273,46 257.071,47 2.972,48 3.835,49 1.62,50 1.813,51 3.58,52 1.969,53 3.663,54 4.243,55 4.394,56 458.94,57 5.035,58 0.071,59 3.707,60 3.49,61 64.723,62 1.218,63 3.703,64 5.242,65 43.222,66 2.417,67 26.84,68 5.219,69 3.523,70 11.986,71 2.445,72 2.445,73 7.111,74 3.557,75 0.075,76 5.224,77 2.696,78 327.271,79 360.49,80 18.885,81 68,82 0.157,83 4.965,84 15.597,85 26.361,86 26.361,87 26.361,88 26.361,89 26.361,90 3.27,91 9.666,92 28.838,93 1.923,94 384,95 64,96 1.541,97 365.245,98 9.273,99 1.619,100 0.097,101 56.15,102 220.142,103 26.539,104 1.641,105 5.142,106 1.481,107 0.186,108 365.245,109 11.654,110 3009.61,111 1.826,112 3.124,113 0.449,114 5.04,115 198.131,116 636.941,117 52427.9,118 1.795,119 26214,120 8.528,121 20.698,122 0.108,123 4.946,124 11.717,125 1283,126 3.468,127 27.355,128 3.693,129 2.206,130 1,131 9.04,132 2.873,133 2.873,134 14.418,135 4.305,136 2.009,137 2.009,138 5.249,139 6.553}
{0 CHEMBL485937,1 1.082,2 1.512,3 157.874,4 2.884,5 1.52,6 2.85,7 1.617,8 188.999,9 1.119,10 1.29,11 3.108,12 0.729,13 2.313,14 3.175,15 1.343,16 1.293,17 1.614,18 4.182,19 4.841,20 0.751,21 5.425,22 1.76,23 4.681,24 24.213,25 0.792,26 0.792,27 4.106,28 32.637,29 1.589,30 1.589,31 0.544,32 4.303,33 2.15,34 41.654,35 0.964,36 5.024,37 5.293,38 67.192,39 3.776,40 3,41 20.177,42 0.647,43 0.647,44 4.14,45 4.188,46 231.446,47 2.721,48 3.744,49 1.62,50 1.828,51 3.517,52 1.526,53 3.543,54 4.162,55 4.276,56 430.88,57 5.012,58 0.08,59 3.5,60 3.253,61 60.403,62 1,63 3.485,64 5.211,65 39.706,66 2.39,67 23.547,68 5.04,69 3.465,70 10.864,71 2.037,72 2.037,73 6.748,74 3.35,75 0.085,76 5.202,77 2.66,78 292.929,79 324.149,80 16.74,81 63,82 0.178,83 4.899,84 13.475,85 23.137,86 23.137,87 23.137,88 23.137,89 23.137,90 3.247,91 8.719,92 24.679,93 1.695,94 354.413,95 60,96 1.542,97 328.904,98 8.973,99 1.619,100 0.11,101 42.764,102 189.312,103 24.676,104 1.632,105 5.069,106 1.45,107 0.201,108 328.904,109 10.463,110 2284.94,111 1.837,112 3.04,113 0.422,114 5.001,115 175.525,116 602.931,117 35919.3,118 1.794,119 17548,120 7.639,121 21.389,122 0.122,123 4.449,124 11.433,125 965,126 3.431,127 25.112,128 3.589,129 2.108,130 1,131 9.007,132 2.925,133 2.925,134 12.96,135 4.259,136 1.762,137 1.762,138 5.095,139 6.538}
{0 CHEMBL486147,1 1.209,2 1.583,3 183.222,4 3.02,5 1.584,6 3.001,7 1.618,8 218.029,9 1.252,10 1.311,11 3.246,12 0.731,13 2.427,14 3.312,15 1.508,16 1.45,17 1.614,18 4.183,19 4.94,20 1,21 5.485,22 2,23 4.786,24 26.737,25 1,26 1,27 4.18,28 39.061,29 2.136,30 2.136,31 0.779,32 4.394,33 2.326,34 45.324,35 1.169,36 5.106,37 5.361,38 74.026,39 3.845,40 3,41 22.701,42 0.827,43 0.827,44 4.141,45 4.287,46 262.796,47 2.992,48 3.827,49 1.62,50 1.854,51 3.561,52 1.79,53 3.617,54 4.221,55 4.38,56 480.42,57 5.102,58 0.073,59 3.505,60 3.6,61 66.942,62 1.218,63 3.49,64 5.328,65 43.663,66 2.41,67 26.435,68 5.195,69 3.511,70 11.849,71 2.181,72 2.181,73 7.225,74 3.642,75 0.077,76 5.276,77 2.716,78 334.691,79 365.91,80 18.672,81 69,82 0.161,83 4.974,84 15.103,85 25.869,86 25.869,87 25.869,88 25.869,89 25.869,90 3.264,91 9.514,92 27.164,93 1.939,94 398.93,95 66,96 1.521,97 370.665,98 9.278,99 1.619,100 0.099,101 54.465,102 219.551,103 28.209,104 1.636,105 5.134,106 1.589,107 0.192,108 370.665,109 11.416,110 2986.18,111 1.837,112 3.117,113 0.499,114 5.131,115 202.131,116 674.402,117 51633.3,118 1.848,119 23960,120 8.639,121 23.775,122 0.111,123 4.767,124 12.85,125 1237,126 3.457,127 28.104,128 3.693,129 2.209,130 1,131 9.895,132 2.95,133 2.95,134 14.45,135 4.328,136 2.032,137 2.032,138 5.25,139 5.959}
{0 CHEMBL486334,1 1.064,2 1.429,3 147.298,4 2.91,5 1.398,6 2.941,7 1.65,8 79.786,9 1.153,10 1.172,11 3.111,12 0.906,13 2.037,14 3.206,15 1.371,16 1.397,17 1.618,18 4.184,19 4.997,20 0.81,21 5.278,22 1.808,23 4.803,24 23.744,25 0.859,26 0.859,27 4.111,28 38.929,29 0.741,30 0.741,31 0.453,32 4.365,33 2,34 41.836,35 0.924,36 4.934,37 5.165,38 72.308,39 3.767,40 1,41 20.634,42 0.478,43 0.478,44 4.141,45 4.235,46 231.08,47 2.658,48 3.733,49 1.513,50 1.872,51 3.455,52 1.429,53 3.501,54 4.178,55 4.228,56 422.4,57 5.192,58 0.084,59 3.492,60 3.247,61 63.65,62 1,63 3.49,64 5.385,65 39.385,66 2.327,67 23.006,68 4.982,69 3.4,70 11.571,71 1.915,72 1.915,73 6.484,74 4.129,75 0.089,76 5.456,77 2.433,78 299.819,79 335.735,80 16.084,81 67,82 0.188,83 5.102,84 13.612,85 22.67,86 22.67,87 22.67,88 22.67,89 22.67,90 2.901,91 9.391,92 24.156,93 1.637,94 384,95 64,96 2.441,97 341.245,98 8.789,99 1.598,100 0.115,101 41.095,102 176.278,103 23.294,104 1.692,105 5.34,106 1.512,107 0.203,108 341.245,109 11.308,110 2039.48,111 1.88,112 2.932,113 0.592,114 5.123,115 156.465,116 611.268,117 31052.6,118 1.868,119 15771,120 7.472,121 26.628,122 0.129,123 4.423,124 11.583,125 950,126 3.343,127 23.209,128 3.532,129 1.945,130 1,131 9.901,132 2.799,133 2.799,134 12.243,135 4.334,136 1.684,137 1.684,138 5.009,139 7.569}
{0 CHEMBL486755,1 1.095,2 1.502,3 161.535,4 2.91,5 1.497,6 2.941,7 1.674,8 87.672,9 1.172,10 1.236,11 3.169,12 0.893,13 2.17,14 3.26,15 1.465,16 1.513,17 1.652,18 4.183,19 5.087,20 0.918,21 5.257,22 1.927,23 4.884,24 25.21,25 0.998,26 0.998,27 4.15,28 41.014,29 1.053,30 1.053,31 0.51,32 4.445,33 2,34 44.603,35 0.929,36 4.92,37 5.13,38 78.221,39 3.81,40 1,41 21.995,42 0.556,43 0.556,44 4.139,45 4.309,46 251.334,47 2.768,48 3.78,49 1.604,50 1.883,51 3.477,52 1.479,53 3.531,54 4.212,55 4.285,56 450.7,57 5.272,58 0.08,59 3.501,60 3.414,61 68.636,62 1,63 3.497,64 5.439,65 41.933,66 2.346,67 24.595,68 5.07,69 3.412,70 12.074,71 2.245,72 2.245,73 6.645,74 4.229,75 0.085,76 5.549,77 2.509,78 340.817,79 373.978,80 17.067,81 72,82 0.178,83 5.139,84 14.494,85 24.032,86 24.032,87 24.032,88 24.032,89 24.032,90 2.944,91 9.777,92 25.542,93 1.713,94 421.488,95 69,96 2.394,97 373.978,98 8.952,99 1.606,100 0.109,101 50.188,102 192.269,103 25.192,104 1.687,105 5.372,106 1.515,107 0.198,108 373.978,109 11.751,110 2388.12,111 1.887,112 2.981,113 0.617,114 5.158,115 171.525,116 647.098,117 39118.8,118 1.88,119 19365,120 7.944,121 29.757,122 0.122,123 4.674,124 12.8,125 1115,126 3.357,127 24.623,128 3.588,129 2.217,130 1,131 10.091,132 2.624,133 2.624,134 12.966,135 4.377,136 1.83,137 1.83,138 5.09,139 6.959}
{0 CHEMBL486757,1 1.064,2 1.49,3 153.117,4 2.91,5 1.485,6 2.941,7 1.658,8 82.928,9 1.153,10 1.216,11 3.14,12 0.908,13 2.053,14 3.219,15 1.429,16 1.467,17 1.648,18 4.185,19 5.053,20 0.916,21 5.323,22 1.924,23 4.855,24 24.578,25 0.989,26 0.989,27 4.135,28 40.913,29 1.041,30 1.041,31 0.506,32 4.407,33 2,34 43.597,35 0.929,36 4.963,37 5.204,38 75.723,39 3.799,40 1,41 21.341,42 0.553,43 0.553,44 4.141,45 4.276,46 235.519,47 2.66,48 3.764,49 1.598,50 1.879,51 3.457,52 1.475,53 3.526,54 4.202,55 4.257,56 439.7,57 5.237,58 0.082,59 3.499,60 3.247,61 66.534,62 1,63 3.496,64 5.437,65 40.912,66 2.327,67 23.87,68 5.026,69 3.4,70 11.926,71 2.136,72 2.136,73 6.674,74 4.279,75 0.087,76 5.504,77 2.508,78 317.492,79 353.408,80 16.584,81 70,82 0.183,83 5.12,84 14.112,85 23.378,86 23.378,87 23.378,88 23.378,89 23.378,90 2.944,91 9.67,92 24.849,93 1.638,94 406.428,95 67,96 2.462,97 358.918,98 8.882,99 1.605,100 0.112,101 44.062,102 183.358,103 24.261,104 1.695,105 5.354,106 1.513,107 0.201,108 358.918,109 11.606,110 2175.54,111 1.887,112 2.977,113 0.621,114 5.172,115 164.974,116 630.374,117 34053.3,118 1.875,119 17002,120 7.722,121 28.73,122 0.126,123 4.513,124 12.55,125 979,126 3.343,127 23.916,128 3.56,129 2.096,130 1,131 10.323,132 2.799,133 2.799,134 12.605,135 4.363,136 1.687,137 1.687,138 5.051,139 7.337}
{0 CHEMBL486951,1 1.224,2 1.614,3 186.358,4 3.079,5 1.613,6 3.062,7 1.637,8 219.486,9 1.278,10 1.36,11 3.234,12 0.785,13 2.5,14 3.288,15 1.49,16 1.422,17 1.658,18 4.183,19 4.923,20 1,21 5.545,22 2,23 4.775,24 27.748,25 1,26 1,27 4.227,28 34.603,29 2.136,30 2.136,31 0.974,32 4.403,33 2.5,34 46.659,35 1.5,36 5.147,37 5.425,38 73.69,39 3.897,40 3,41 23.395,42 1,43 1,44 4.141,45 4.293,46 249.663,47 2.972,48 3.872,49 1.62,50 1.87,51 3.58,52 1.98,53 3.663,54 4.277,55 4.419,56 479.9,57 5.059,58 0.069,59 3.74,60 3.612,61 66.505,62 1.218,63 3.75,64 5.263,65 44.728,66 2.414,67 27.555,68 5.257,69 3.524,70 12.425,71 2.481,72 2.481,73 7.258,74 3.724,75 0.073,76 5.246,77 2.697,78 324.069,79 372.175,80 19.385,81 70,82 0.154,83 5.005,84 16.097,85 27.068,86 27.068,87 27.068,88 27.068,89 27.068,90 3.274,91 10.016,92 29.531,93 1.924,94 398.93,95 66,96 1.543,97 380.175,98 9.343,99 1.619,100 0.095,101 59.34,102 227.934,103 27.288,104 1.713,105 5.185,106 1.567,107 0.184,108 380.175,109 12.071,110 3204.96,111 1.838,112 3.152,113 0.461,114 5.062,115 206.877,116 662.895,117 57162.4,118 1.885,119 28228,120 8.778,121 21.308,122 0.106,123 5.026,124 12.133,125 1378,126 3.464,127 28.062,128 3.717,129 2.206,130 1,131 9.444,132 2.873,133 2.873,134 14.799,135 4.352,136 2.009,137 2.009,138 5.286,139 6.119}
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{0 CHEMBL492757,1 1.24,2 1.636,3 167.343,4 2.951,5 1.62,6 2.942,7 1.65,8 305.517,9 1.303,10 1.393,11 3.143,12 0.791,13 2.368,14 3.202,15 1.499,16 1.44,17 1.659,18 4.186,19 4.984,20 0.909,21 5.505,22 1.915,23 4.816,24 26.141,25 0.961,26 0.961,27 4.208,28 35.647,29 2.136,30 2.136,31 0.788,32 4.404,33 2.229,34 45.176,35 1.132,36 5.136,37 5.394,38 74.022,39 3.857,40 4,41 21.302,42 0.827,43 0.827,44 4.145,45 4.293,46 257.657,47 2.895,48 3.825,49 1.66,50 1.735,51 3.575,52 1.789,53 3.696,54 4.254,55 4.341,56 444.86,57 5.171,58 0.075,59 3.573,60 3.45,61 66.171,62 1,63 3.559,64 5.282,65 42.76,66 2.599,67 24.987,68 5.125,69 3.511,70 11.887,71 2.165,72 2.165,73 6.992,74 3.754,75 0.08,76 5.418,77 2.677,78 325.936,79 355.156,80 17.659,81 70,82 0.166,83 5.033,84 14.138,85 24.427,86 24.427,87 24.427,88 24.427,89 24.427,90 3.273,91 9.486,92 27.046,93 1.844,94 398.93,95 66,96 2.169,97 359.91,98 9.123,99 1.574,100 0.103,101 48.218,102 204.494,103 25.492,104 1.693,105 5.202,106 1.562,107 0.192,108 359.91,109 11.361,110 2634.52,111 1.706,112 3.045,113 0.617,114 5.076,115 186.75,116 655.952,117 43435.1,118 1.756,119 22178,120 7.792,121 26.158,122 0.114,123 4.707,124 13.167,125 1149,126 3.656,127 26.156,128 3.642,129 2.093,130 1,131 10.236,132 2.987,133 2.987,134 13.708,135 4.346,136 1.94,137 1.94,138 5.175,139 5.301}
{0 CHEMBL492758,1 1.175,2 1.542,3 161.805,4 2.891,5 1.535,6 2.893,7 1.649,8 294.606,9 1.241,10 1.34,11 3.075,12 0.754,13 2.278,14 3.154,15 1.459,16 1.417,17 1.658,18 4.185,19 4.923,20 0.806,21 5.442,22 1.81,23 4.766,24 25.359,25 0.846,26 0.846,27 4.173,28 31.618,29 1.673,30 1.673,31 0.625,32 4.362,33 2.177,34 43.415,35 0.999,36 5.094,37 5.347,38 70.607,39 3.824,40 4,41 20.778,42 0.678,43 0.678,44 4.143,45 4.252,46 249.19,47 2.872,48 3.795,49 1.58,50 1.735,51 3.549,52 1.613,53 3.695,54 4.22,55 4.317,56 427.56,57 5.088,58 0.077,59 3.572,60 3.273,61 63.287,62 0.823,63 3.558,64 5.166,65 41.233,66 2.481,67 24.444,68 5.093,69 3.488,70 11.517,71 2.136,72 2.136,73 6.646,74 3.592,75 0.082,76 5.334,77 2.647,78 308.33,79 337.549,80 17.248,81 67,82 0.17,83 4.994,84 13.948,85 23.927,86 23.927,87 23.927,88 23.927,89 23.927,90 3.257,91 9.209,92 26.641,93 1.82,94 376.569,95 63,97 342.304,98 9.041,99 1.574,100 0.106,101 47.667,102 197.67,103 24.535,104 1.693,105 5.168,106 1.497,107 0.194,108 342.304,109 11.06,110 2488.32,111 1.706,112 2.953,113 0.553,114 4.964,115 180.117,116 627.128,117 40438.6,118 1.756,119 21003,120 7.597,121 23.857,122 0.116,123 4.689,124 12.217,125 1118,126 3.534,127 25.286,128 3.616,129 2.081,131 9.845,132 2.985,133 2.985,134 13.335,135 4.285,136 1.919,137 1.919,138 5.134,139 5.301}
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{0 CHEMBL493106,1 1.249,2 1.657,3 167.343,4 2.965,5 1.648,6 2.953,7 1.665,8 305.517,9 1.31,10 1.426,11 3.153,12 0.825,13 2.177,14 3.207,15 1.501,16 1.513,17 1.681,18 4.187,19 5.132,20 0.909,21 5.505,22 1.915,23 4.944,24 26.779,25 0.961,26 0.961,27 4.262,28 44.288,29 2.136,30 2.136,31 0.788,32 4.489,33 2.118,34 47.461,35 1,36 5.136,37 5.394,38 81.268,39 3.904,40 4,41 22.029,42 0.827,43 0.827,44 4.145,45 4.367,46 271.124,47 2.895,48 3.859,49 1.692,50 1.735,51 3.593,52 1.789,53 3.697,54 4.33,55 4.341,56 463.68,57 5.334,58 0.075,59 3.572,60 3.45,61 71.821,62 1,63 3.559,64 5.456,65 44.34,66 2.599,67 24.987,68 5.125,69 3.523,70 12.826,71 2.165,72 2.165,73 8.006,74 4.493,75 0.08,76 5.608,77 2.677,78 359.631,79 383.705,80 17.659,81 76,82 0.166,83 5.209,84 14.138,85 24.427,86 24.427,87 24.427,88 24.427,89 24.427,90 3.273,91 10.246,92 27.046,93 1.844,94 444.235,95 72,96 2.446,97 391.215,98 9.123,99 1.574,100 0.103,101 48.218,102 204.494,103 26.239,104 1.698,105 5.416,106 1.564,107 0.192,108 391.215,109 12.299,110 2634.52,111 1.707,112 3.063,113 0.73,114 5.219,115 186.75,116 689.113,117 43435.1,118 1.756,119 22178,120 7.792,121 32.57,122 0.114,123 4.707,124 14.083,125 1149,126 3.656,127 26.156,128 3.642,129 2.093,130 1,131 12.025,132 2.987,133 2.987,134 13.784,135 4.446,136 1.94,137 1.94,138 5.175,139 6.46}
{0 CHEMBL493107,1 1.212,2 1.586,3 161.805,4 2.943,5 1.575,6 2.941,7 1.649,8 294.606,9 1.281,10 1.356,11 3.131,12 0.825,13 2.176,14 3.206,15 1.488,16 1.513,17 1.659,18 4.185,19 5.08,20 0.806,21 5.442,22 1.81,23 4.9,24 25.997,25 0.846,26 0.846,27 4.229,28 38.89,29 1.673,30 1.673,31 0.625,32 4.451,33 2.118,34 45.699,35 0.998,36 5.094,37 5.347,38 77.853,39 3.872,40 4,41 21.529,42 0.678,43 0.678,44 4.143,45 4.33,46 264.72,47 2.872,48 3.83,49 1.602,50 1.735,51 3.561,52 1.613,53 3.696,54 4.298,55 4.317,56 446.38,57 5.249,58 0.077,59 3.572,60 3.273,61 68.938,62 0.823,63 3.558,64 5.32,65 42.814,66 2.481,67 24.444,68 5.093,69 3.496,70 12.46,71 2.136,72 2.136,73 7.576,74 4.335,75 0.082,76 5.523,77 2.647,78 341.64,79 365.714,80 17.248,81 73,82 0.17,83 5.176,84 13.948,85 23.927,86 23.927,87 23.927,88 23.927,89 23.927,90 3.257,91 9.975,92 26.641,93 1.82,94 421.488,95 69,97 373.224,98 9.041,99 1.574,100 0.106,101 47.667,102 197.67,103 25.28,104 1.693,105 5.39,106 1.544,107 0.194,108 373.224,109 12.003,110 2488.32,111 1.706,112 3.006,113 0.73,114 5.09,115 180.117,116 660.29,117 40438.6,118 1.756,119 21003,120 7.597,121 30.534,122 0.116,123 4.689,124 13.133,125 1118,126 3.534,127 25.286,128 3.616,129 2.081,131 11.697,132 2.985,133 2.985,134 13.412,135 4.388,136 1.919,137 1.919,138 5.134,139 6.353}
{0 CHEMBL493169,1 0.744,2 1.287,3 99.532,4 2.644,5 1.35,6 2.64,7 1.376,8 54.963,9 0.825,10 1.044,11 2.821,12 0.565,13 0.808,14 2.901,15 1.083,16 1.022,17 1.405,18 4.177,19 4.654,20 -0.52,21 5.094,22 0.442,23 4.482,24 17.907,25 -0.534,26 -0.534,27 3.795,28 20.542,29 -1.768,30 -1.768,31 -0.683,32 4.04,33 0.653,34 28.177,35 -0.903,36 4.796,37 5.017,38 49.915,39 3.386,41 15.667,42 -0.707,43 -0.707,44 4.119,45 3.908,46 161.026,47 2.334,48 3.41,49 1.291,50 1.435,51 3.206,52 0.266,53 3.263,54 3.784,55 4.001,56 286.25,57 4.729,58 0.105,59 3.2,60 2.738,61 44.334,62 0.164,63 3.167,64 4.784,65 27.966,66 1.988,67 17.972,68 4.629,69 3.111,70 8.198,71 -1.299,72 -1.299,73 4.402,74 2.625,75 0.115,76 4.99,77 2.107,78 193.065,79 208.574,80 12.504,81 46,82 0.245,83 4.711,84 10.202,85 17.419,86 17.419,87 17.419,88 17.419,89 17.419,90 2.464,91 6.674,92 19.474,93 1.306,94 233.329,95 43,97 208.574,98 8.099,99 1.188,100 0.145,101 23.13,102 126.594,103 17.107,104 1.363,105 4.95,106 1.203,107 0.227,108 208.574,109 8.146,110 1135.34,111 1.513,112 2.714,113 0.084,114 4.544,115 113.457,116 395.261,117 13987.7,118 1.515,119 8022,120 5.5,121 15.929,122 0.159,123 3.793,124 7.562,125 576,126 3.053,127 18.148,128 3.305,129 1.454,131 6.17,132 2.65,133 2.65,134 10.042,135 3.879,136 1.374,137 1.374,138 4.671,139 5.398}
{0 CHEMBL493318,1 1.142,2 1.587,3 161.387,4 2.913,5 1.618,6 2.881,7 1.63,8 295.712,9 1.249,10 1.31,11 3.121,12 0.795,13 2.253,14 3.172,15 1.502,16 1.417,17 1.638,18 4.187,19 4.948,20 0.852,21 5.481,22 1.851,23 4.778,24 25.464,25 0.89,26 0.89,27 4.189,28 35.199,29 1.777,30 1.777,31 0.656,32 4.384,33 2.194,34 43.966,35 1.016,36 5.106,37 5.357,38 71.896,39 3.834,40 3,41 20.88,42 0.693,43 0.693,44 4.145,45 4.263,46 253.655,47 2.766,48 3.799,49 1.598,50 1.739,51 3.575,52 1.657,53 3.694,54 4.244,55 4.316,56 429.77,57 5.151,58 0.077,59 3.572,60 3.287,61 64.061,62 0.838,63 3.563,64 5.265,65 41.54,66 2.559,67 24.532,68 5.093,69 3.51,70 11.567,71 2.136,72 2.136,73 6.945,74 3.587,75 0.082,76 5.404,77 2.643,78 315.761,79 344.98,80 17.265,81 68,82 0.17,83 5.007,84 14.001,85 23.98,86 23.98,87 23.98,88 23.98,89 23.98,90 3.247,91 9.263,92 26.641,93 1.718,94 384,95 64,96 2.173,97 349.735,98 9.046,99 1.622,100 0.106,101 45.71,102 197.017,103 24.535,104 1.661,105 5.184,106 1.489,107 0.194,108 349.735,109 11.095,110 2463.75,111 1.734,112 3.039,113 0.469,114 5.058,115 180.117,116 632.381,117 39693.5,118 1.756,119 20633,120 7.625,121 24.838,122 0.116,123 4.652,124 12.333,125 1076,126 3.604,127 25.286,128 3.616,129 2.071,130 1,131 9.679,132 2.969,133 2.969,134 13.325,135 4.344,136 1.811,137 1.811,138 5.136,139 6.515}
{0 CHEMBL493319,1 1.141,2 1.542,3 155.849,4 2.854,5 1.535,6 2.831,7 1.628,8 284.802,9 1.238,10 1.256,11 3.049,12 0.758,13 2.205,14 3.111,15 1.462,16 1.417,17 1.589,18 4.185,19 4.885,20 0.663,21 5.416,22 1.664,23 4.726,24 24.682,25 0.702,26 0.702,27 4.154,28 31.182,29 1.544,30 1.544,31 0.576,32 4.342,33 2.118,34 42.205,35 0.927,36 5.063,37 5.308,38 68.481,39 3.801,40 3,41 20.355,42 0.618,43 0.618,44 4.143,45 4.222,46 243.562,47 2.741,48 3.768,49 1.529,50 1.739,51 3.548,52 1.559,53 3.694,54 4.209,55 4.291,56 412.47,57 5.065,58 0.079,59 3.571,60 3.247,61 61.178,62 0.82,63 3.562,64 5.147,65 40.013,66 2.478,67 23.988,68 5.06,69 3.486,70 11.197,71 1.783,72 1.783,73 6.599,74 3.425,75 0.084,76 5.318,77 2.626,78 298.291,79 327.51,80 16.854,81 65,82 0.175,83 4.966,84 13.811,85 23.48,86 23.48,87 23.48,88 23.48,89 23.48,90 3.193,91 8.986,92 26.235,93 1.692,94 361.775,95 61,97 332.265,98 8.961,99 1.622,100 0.108,101 45.006,102 190.252,103 23.58,104 1.607,105 5.149,106 1.447,107 0.195,108 332.265,109 10.793,110 2323.76,111 1.734,112 2.948,113 0.469,114 4.943,115 173.525,116 603.558,117 36883.1,118 1.756,119 19518,120 7.431,121 22.503,122 0.119,123 4.634,124 11.383,125 1047,126 3.528,127 24.416,128 3.588,129 2.06,131 9.275,132 2.967,133 2.967,134 12.951,135 4.282,136 1.786,137 1.786,138 5.094,139 7.402}
{0 CHEMBL493537,1 1.142,2 1.587,3 163.118,4 2.935,5 1.619,6 2.909,7 1.631,8 297.393,9 1.248,10 1.307,11 3.125,12 0.793,13 2.219,14 3.172,15 1.497,16 1.417,17 1.629,18 4.185,19 4.942,20 0.84,21 5.389,22 1.838,23 4.776,24 25.499,25 0.881,26 0.881,27 4.189,28 33.156,29 1.776,30 1.776,31 0.655,32 4.385,33 2.155,34 43.966,35 1.01,36 5.056,37 5.273,38 71.896,39 3.839,40 3,41 21.062,42 0.693,43 0.693,44 4.143,45 4.263,46 251.987,47 2.745,48 3.803,49 1.589,50 1.739,51 3.589,52 1.657,53 3.697,54 4.249,55 4.318,56 429.77,57 5.128,58 0.077,59 3.573,60 3.287,61 64.061,62 0.838,63 3.564,64 5.198,65 41.54,66 2.509,67 24.694,68 5.103,69 3.52,70 11.65,71 2.136,72 2.136,73 6.83,74 3.612,75 0.082,76 5.389,77 2.626,78 307.761,79 338.98,80 17.354,81 68,82 0.17,83 5.015,84 14.297,85 24.187,86 24.187,87 24.187,88 24.187,89 24.187,90 3.247,91 9.351,92 26.929,93 1.695,94 384,95 64,97 352.49,98 9.036,99 1.622,100 0.106,101 49.228,102 198.3,103 24.535,104 1.631,105 5.201,106 1.481,107 0.193,108 348.49,109 11.228,110 2511.79,111 1.734,112 3.048,113 0.49,114 4.991,115 180.117,116 629.635,117 41168.2,118 1.756,119 21529,120 7.681,121 24.514,122 0.116,123 4.749,124 11.883,125 1136,126 3.524,127 25.123,128 3.616,129 2.078,131 9.836,132 2.967,133 2.967,134 13.332,135 4.329,136 1.793,137 1.793,138 5.133,139 6.854}
{0 CHEMBL493928,1 1.142,2 1.58,3 155.849,4 2.912,5 1.575,6 2.941,7 1.628,8 284.802,9 1.248,10 1.288,11 3.112,12 0.85,13 2.118,14 3.206,15 1.492,16 1.48,17 1.594,18 4.186,19 5.048,20 0.663,21 5.416,22 1.664,23 4.865,24 25.321,25 0.702,26 0.702,27 4.211,28 38.392,29 1.544,30 1.544,31 0.576,32 4.432,33 2.118,34 44.489,35 0.927,36 5.063,37 5.308,38 75.726,39 3.85,40 3,41 21.106,42 0.618,43 0.618,44 4.143,45 4.302,46 262.564,47 2.741,48 3.804,49 1.574,50 1.739,51 3.56,52 1.559,53 3.694,54 4.288,55 4.291,56 431.29,57 5.23,58 0.079,59 3.571,60 3.247,61 66.829,62 0.82,63 3.562,64 5.304,65 41.593,66 2.478,67 23.988,68 5.06,69 3.494,70 12.14,71 1.783,72 1.783,73 7.529,74 4.168,75 0.084,76 5.51,77 2.626,78 331.334,79 355.408,80 16.854,81 71,82 0.175,83 5.153,84 13.811,85 23.48,86 23.48,87 23.48,88 23.48,89 23.48,90 3.193,91 9.753,92 26.235,93 1.692,94 406.428,95 67,97 362.918,98 8.961,99 1.622,100 0.108,101 45.006,102 190.252,103 24.324,104 1.615,105 5.375,106 1.513,107 0.195,108 362.918,109 11.737,110 2323.76,111 1.734,112 3.002,113 0.679,114 5.071,115 173.525,116 636.719,117 36883.1,118 1.756,119 19518,120 7.431,121 29.289,122 0.119,123 4.634,124 12.3,125 1047,126 3.528,127 24.416,128 3.588,129 2.06,131 11.178,132 2.967,133 2.967,134 13.029,135 4.385,136 1.786,137 1.786,138 5.094,139 7.352}
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{0 CHEMBL514499,1 1.055,2 1.448,3 139.8,4 2.948,5 1.466,6 2.933,7 1.507,8 164.564,9 1.096,10 1.173,11 3.161,12 0.575,13 1.793,14 3.216,15 1.343,16 1.262,17 1.519,18 4.17,19 4.724,20 0.481,21 5.412,22 1.442,23 4.604,24 22.093,25 0.548,26 0.548,27 3.993,28 35.436,29 0.636,30 0.636,31 0.3,32 4.161,33 1.629,34 35.148,35 0.417,36 5.075,37 5.323,38 58.008,39 3.604,40 2,41 19.348,42 0.356,43 0.356,44 4.141,45 4.078,46 201.378,47 2.634,48 3.624,49 1.505,50 1.681,51 3.33,52 1.225,53 3.318,54 3.973,55 4.22,56 374.6,57 4.847,58 0.084,59 3.285,60 3.156,61 53.182,62 0.854,63 3.243,64 5.14,65 35.002,66 2.134,67 22.87,68 4.943,69 3.278,70 9.351,71 1.333,72 1.333,73 6.035,74 2.64,75 0.094,76 4.977,77 2.471,78 235.378,79 255.029,80 15.723,81 54,82 0.201,83 4.685,84 12.452,85 21.867,86 21.867,87 21.867,88 21.867,89 21.867,90 2.956,91 7.491,92 23.175,93 1.566,94 289.294,95 51,97 265.029,98 8.801,99 1.508,100 0.118,101 33.19,102 174.339,103 23.394,104 1.563,105 4.79,106 1.421,107 0.208,108 261.029,109 9.087,110 1968.17,111 1.577,112 3.056,113 0.274,114 4.956,115 161.71,116 516.675,117 29148.9,118 1.702,119 14502,120 7.194,121 17.847,122 0.13,123 4.198,124 9.912,125 828,126 3.325,127 23.75,128 3.532,129 2.188,131 8.151,132 3.004,133 3.004,134 12.696,135 4.075,136 1.717,137 1.717,138 5.017,139 6}
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{0 CHEMBL516173,1 1.135,2 1.487,3 169.066,4 3.069,5 1.481,6 3.056,7 1.668,8 92.498,9 1.173,10 1.258,11 3.236,12 0.993,13 2.355,14 3.285,15 1.429,16 1.484,17 1.621,18 4.187,19 5.054,20 1,21 5.493,22 2,23 4.869,24 26.081,25 1,26 1,27 4.196,28 42.484,29 2.136,30 2.136,31 0.974,32 4.44,33 2.172,34 45.296,35 1,36 5.13,37 5.389,38 78.016,39 3.842,40 1,41 22.389,42 0.988,43 0.988,44 4.143,45 4.311,46 258.958,47 2.75,48 3.817,49 1.514,50 1.888,51 3.495,52 1.98,53 3.602,54 4.251,55 4.332,56 471.51,57 5.26,58 0.077,59 3.535,60 3.414,61 69.08,62 1,63 3.526,64 5.445,65 43.121,66 2.369,67 24.982,68 5.124,69 3.447,70 12.574,71 2.275,72 2.275,73 6.802,74 4.496,75 0.081,76 5.49,77 2.677,78 332.353,79 362.469,80 17.778,81 72,82 0.171,83 5.191,84 14.489,85 24.714,86 24.714,87 24.714,88 24.714,89 24.714,90 3.247,91 10.192,92 26.065,93 1.716,94 421.488,95 69,96 1.84,97 367.978,98 9.141,99 1.611,100 0.105,101 45.313,102 202.917,103 26.541,104 1.813,105 5.418,106 1.513,107 0.196,108 367.978,109 12.259,110 2571.34,111 1.894,112 3.131,113 0.503,114 5.232,115 182.75,116 667.901,117 41700.2,118 1.889,119 19819,120 8.222,121 27.249,122 0.116,123 4.552,124 12.883,125 1062,126 3.379,127 26.526,128 3.642,129 2.289,130 1,131 10.684,132 2.813,133 2.813,134 13.78,135 4.409,136 1.79,137 1.79,138 5.176,139 6.824}
{0 CHEMBL516958,1 0.884,2 1.378,3 149.054,4 2.801,5 1.41,6 2.786,7 1.599,8 80.443,9 0.956,10 1.168,11 3.031,12 0.695,13 1.976,14 3.116,15 1.231,16 1.192,17 1.598,18 4.184,19 4.832,20 0.453,21 5.352,22 1.43,23 4.659,24 22.875,25 0.479,26 0.479,27 4.02,28 30.899,29 0.736,30 0.736,31 0.344,32 4.265,33 1.66,34 38.25,35 0.437,36 4.99,37 5.231,38 64.355,39 3.678,40 1,41 19.768,42 0.353,43 0.353,44 4.14,45 4.142,46 223.604,47 2.695,48 3.673,49 1.484,50 1.86,51 3.417,52 1.333,53 3.519,54 4.054,55 4.219,56 402.31,57 4.973,58 0.085,59 3.493,60 2.987,61 57.545,62 0.786,63 3.48,64 5.174,65 37.014,66 2.36,67 22.349,68 4.961,69 3.374,70 10.602,71 0.848,72 0.848,73 5.987,74 3.462,75 0.09,76 5.175,77 2.591,78 278.559,79 301.72,80 15.867,81 60,82 0.188,83 4.917,84 12.781,85 22.093,86 22.093,87 22.093,88 22.093,89 22.093,90 2.832,91 8.578,92 23.581,93 1.654,94 332.475,95 57,96 1.64,97 301.72,98 8.803,99 1.595,100 0.116,101 39.374,102 175.107,103 22.667,104 1.617,105 5.119,106 1.296,107 0.206,108 301.72,109 10.376,110 1995.81,111 1.835,112 2.937,113 0.316,114 4.956,115 160.465,116 559.409,117 30018,118 1.869,119 15113,120 7.278,121 20.207,122 0.129,123 4.349,124 10.55,125 896,126 3.371,127 23.535,128 3.532,129 2.266,130 1,131 8.105,132 2.813,133 2.813,134 12.242,135 4.163,136 1.747,137 1.747,138 5.009,139 8.097}
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{0 CHEMBL519088,1 1.064,2 1.487,3 150.886,4 2.947,5 1.479,6 2.941,7 1.657,8 81.653,9 1.153,10 1.201,11 3.15,12 0.908,13 2.053,14 3.223,15 1.429,16 1.467,17 1.647,18 4.185,19 5.053,20 0.891,21 5.328,22 1.899,23 4.855,24 24.578,25 0.939,26 0.939,27 4.135,28 40.796,29 1.041,30 1.041,31 0.504,32 4.407,33 2,34 43.597,35 0.868,36 4.963,37 5.209,38 75.723,39 3.799,40 1,41 21.341,42 0.55,43 0.55,44 4.141,45 4.276,46 235.519,47 2.659,48 3.764,49 1.598,50 1.879,51 3.449,52 1.473,53 3.524,54 4.202,55 4.257,56 439.7,57 5.237,58 0.082,59 3.498,60 3.247,61 66.534,62 1,63 3.496,64 5.434,65 40.912,66 2.284,67 23.87,68 5.026,69 3.388,70 11.926,71 2.136,72 2.136,73 6.652,74 4.279,75 0.087,76 5.504,77 2.508,78 321.492,79 361.408,80 16.584,81 70,82 0.183,83 5.12,84 14.152,85 23.378,86 23.378,87 23.378,88 23.378,89 23.378,90 2.922,91 9.672,92 24.849,93 1.638,94 406.428,95 67,96 2.459,97 366.918,98 8.887,99 1.605,100 0.112,101 42.941,102 182.93,103 24.261,104 1.695,105 5.354,106 1.513,107 0.201,108 366.918,109 11.605,110 2154.8,111 1.887,112 3.038,113 0.621,114 5.173,115 168.974,116 630.374,117 33611.1,118 1.875,119 16770,120 7.722,121 28.73,122 0.126,123 4.49,124 12.55,125 941,126 3.293,127 23.916,128 3.561,129 2.094,130 1,131 10.323,132 2.811,133 2.811,134 12.61,135 4.363,136 1.687,137 1.687,138 5.052,139 7.699}
{0 CHEMBL519116,1 0.919,2 1.399,3 140.157,4 2.796,5 1.384,6 2.793,7 1.52,8 169.416,9 0.969,10 1.215,11 2.987,12 0.674,13 2.118,14 3.045,15 1.246,16 1.194,17 1.492,18 4.181,19 4.709,20 0.509,21 5.293,22 1.525,23 4.556,24 21.956,25 0.618,26 0.618,27 3.977,28 26.91,29 1.175,30 1.175,31 0.49,32 4.181,33 1.925,34 36.375,35 0.664,36 4.963,37 5.198,38 58.444,39 3.637,40 2,41 18.639,42 0.506,43 0.506,44 4.138,45 4.069,46 206.042,47 2.661,48 3.623,49 1.403,50 1.697,51 3.355,52 1.426,53 3.518,54 4.008,55 4.193,56 375.32,57 4.856,58 0.087,59 3.495,60 3.153,61 52.854,62 0.777,63 3.482,64 5.06,65 35.147,66 2.247,67 22.007,68 4.925,69 3.3,70 9.675,71 1.372,72 1.372,73 5.68,74 2.865,75 0.092,76 5.042,77 2.531,78 252.913,79 274.913,80 15.436,81 55,82 0.193,83 4.761,84 12.696,85 21.482,86 21.482,87 21.482,88 21.482,89 21.482,90 3,91 7.777,92 23.175,93 1.633,94 296.423,95 52,96 1.534,97 277.668,98 8.716,99 1.505,100 0.119,101 36.5,102 167.638,103 21.965,104 1.575,105 4.933,106 1.261,107 0.208,108 277.668,109 9.381,110 1838.64,111 1.62,112 2.863,113 0.246,114 4.857,115 154,116 529.04,117 26897.9,118 1.73,119 13827,120 7.028,121 17.841,122 0.133,123 4.26,124 9.633,125 805,126 3.239,127 22.665,128 3.502,129 2.092,130 1,131 7.192,132 2.787,133 2.787,134 11.833,135 4.069,136 1.677,137 1.677,138 4.967,139 5.301}
{0 CHEMBL519183,1 1.162,2 1.623,3 170.599,4 3.077,5 1.633,6 3.071,7 1.639,8 92.723,9 1.211,10 1.385,11 3.235,12 1.081,13 2.296,14 3.293,15 1.438,16 1.513,17 1.648,18 4.186,19 5.144,20 1,21 5.438,22 2,23 4.943,24 26.829,25 1,26 1,27 4.232,28 44.629,29 1.942,30 1.942,31 0.864,32 4.496,33 2.129,34 48.12,35 1,36 5.056,37 5.308,38 83.554,39 3.907,40 1,41 23.226,42 0.884,43 0.884,44 4.142,45 4.362,46 244.096,47 2.713,48 3.86,49 1.654,50 1.962,51 3.533,52 1.866,53 3.608,54 4.316,55 4.336,56 488.96,57 5.306,58 0.076,59 3.614,60 3.247,61 73.301,62 1,63 3.633,64 5.503,65 44.965,66 2.353,67 25.624,68 5.143,69 3.457,70 13.486,71 2.136,72 2.136,73 7.391,74 5.212,75 0.081,76 5.556,77 2.661,78 320.39,79 378.97,80 18.012,81 77,82 0.169,83 5.256,84 15.301,85 25.344,86 25.344,87 25.344,88 25.344,89 25.344,90 3.237,91 11.015,92 26.641,93 1.697,94 459.5,95 74,96 1.758,97 407.99,98 9.136,99 1.717,100 0.104,101 50.91,102 204.632,103 26.894,104 1.846,105 5.506,106 1.586,107 0.194,108 403.99,109 13.154,110 2616.24,111 1.993,112 3.132,113 0.799,114 5.25,115 184.75,116 697.261,117 43799.3,118 1.933,119 20891,120 8.444,121 31.161,122 0.116,123 4.713,124 13.8,125 1070,126 3.366,127 26.2,128 3.642,129 2.11,130 1,131 12.066,132 2.812,133 2.812,134 13.791,135 4.461,136 1.734,137 1.734,138 5.171,139 5.347}
{0 CHEMBL519239,1 1.224,2 1.614,3 186.358,4 3.079,5 1.613,6 3.063,7 1.638,8 219.486,9 1.278,10 1.36,11 3.234,12 0.799,13 2.5,14 3.288,15 1.49,16 1.422,17 1.66,18 4.184,19 4.931,20 1,21 5.545,22 2,23 4.786,24 27.878,25 1,26 1,27 4.246,28 35.568,29 2.136,30 2.136,31 1,32 4.411,33 2.5,34 47.415,35 1.5,36 5.147,37 5.425,38 74.607,39 3.92,40 3,41 23.395,42 1,43 1,44 4.142,45 4.301,46 241.176,47 2.972,48 3.887,49 1.62,50 1.87,51 3.58,52 2,53 3.663,54 4.305,55 4.419,56 486.2,57 5.084,58 0.069,59 3.788,60 3.612,61 67.287,62 1.218,63 3.818,64 5.282,65 45.233,66 2.418,67 27.489,68 5.257,69 3.524,70 12.582,71 2.481,72 2.481,73 7.391,74 3.801,75 0.073,76 5.276,77 2.697,78 307.56,79 356.163,80 19.385,81 71,82 0.154,83 5.025,84 16.097,85 27.068,86 27.068,87 27.068,88 27.068,89 27.068,90 3.274,91 10.141,92 29.531,93 1.924,94 406.428,95 67,96 1.547,97 377.673,98 9.343,99 1.619,100 0.095,101 59.34,102 227.934,103 27.35,104 1.716,105 5.204,106 1.567,107 0.184,108 371.673,109 12.211,110 3204.96,111 1.838,112 3.152,113 0.461,114 5.077,115 204.877,116 668.215,117 57162.4,118 1.885,119 28228,120 8.778,121 22.077,122 0.106,123 5.026,124 12.267,125 1378,126 3.468,127 28.062,128 3.717,129 2.206,130 1,131 9.875,132 2.873,133 2.873,134 14.81,135 4.383,136 2.009,137 2.009,138 5.286,139 6.208}
{0 CHEMBL519250,1 1.139,2 1.506,3 164.409,4 2.915,5 1.518,6 2.875,7 1.616,8 196.601,9 1.161,10 1.293,11 3.126,12 0.723,13 2.385,14 3.186,15 1.339,16 1.265,17 1.614,18 4.182,19 4.786,20 0.944,21 5.425,22 1.953,23 4.64,24 24.609,25 0.967,26 0.967,27 4.094,28 30.08,29 1.634,30 1.634,31 0.576,32 4.271,33 2.289,34 41.137,35 0.987,36 5.056,37 5.298,38 64.86,39 3.764,40 3,41 21.086,42 0.665,43 0.665,44 4.14,45 4.162,46 230.363,47 2.703,48 3.743,49 1.603,50 1.765,51 3.525,52 1.559,53 3.544,54 4.141,55 4.306,56 436.6,57 4.95,58 0.078,59 3.499,60 3.256,61 58.738,62 1.218,63 3.485,64 5.159,65 39.674,66 2.248,67 24.654,68 5.092,69 3.479,70 10.887,71 2.136,72 2.136,73 6.474,74 3.24,75 0.083,76 5.13,77 2.658,78 285.034,79 316.253,80 17.367,81 61,82 0.174,83 4.873,84 14.465,85 24.214,86 24.214,87 24.214,88 24.214,89 24.214,90 3.247,91 8.766,92 25.66,93 1.683,94 339.763,95 58,96 1.525,97 321.008,98 9.049,99 1.618,100 0.107,101 47.062,102 197.211,103 25.154,104 1.62,105 5.044,106 1.437,107 0.197,108 321.008,109 10.562,110 2471.82,111 1.77,112 3.067,113 0.269,114 4.961,115 182.117,116 606.453,117 39998.2,118 1.753,119 19279,120 8.028,121 17.944,122 0.119,123 4.589,124 10.8,125 1078,126 3.275,127 25.656,128 3.616,129 2.206,130 1,131 8.239,132 2.87,133 2.87,134 13.291,135 4.22,136 1.744,137 1.744,138 5.133,139 6.409}
{0 CHEMBL519347,1 1.07,2 1.507,3 170.316,4 3.024,5 1.511,6 3.018,7 1.638,8 92.213,9 1.153,10 1.298,11 3.171,12 0.914,13 2.5,14 3.229,15 1.429,16 1.473,17 1.63,18 4.188,19 5.039,20 1,21 5.602,22 2,23 4.864,24 27.166,25 1,26 1,27 4.248,28 40.885,29 2.136,30 2.136,31 1,32 4.436,33 2.39,34 46.836,35 1.221,36 5.142,37 5.442,38 77.308,39 3.901,40 1,41 23.207,42 1,43 1,44 4.145,45 4.314,46 246.781,47 2.73,48 3.868,49 1.629,50 1.986,51 3.44,52 2,53 3.606,54 4.31,55 4.373,56 475.08,57 5.237,58 0.073,59 3.762,60 3.414,61 68.65,62 1.109,63 3.771,64 5.422,65 44.385,66 2.42,67 26.356,68 5.189,69 3.4,70 13.043,71 2.275,72 2.275,73 7.373,74 4.449,75 0.077,76 5.467,77 2.681,78 318.985,79 366.469,80 18.529,81 73,82 0.161,83 5.17,84 15.433,85 26.076,86 26.076,87 26.076,88 26.076,89 26.076,90 3.247,91 10.583,92 28.433,93 1.699,94 421.488,95 69,96 1.743,97 374.733,98 9.22,99 1.819,100 0.099,101 50,102 210.925,103 25.704,104 1.743,105 5.39,106 1.513,107 0.188,108 374.733,109 12.746,110 2742.11,111 1.992,112 3.075,113 0.658,114 5.182,115 185.421,116 658.238,117 46226.8,118 1.971,119 23199,120 8.444,121 26.203,122 0.111,123 4.819,124 12.717,125 1124,126 3.458,127 26.485,128 3.668,129 2.229,130 1,131 10.815,132 2.812,133 2.812,134 14.117,135 4.452,136 1.781,137 1.781,138 5.212,139 8.222}
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{0 CHEMBL519697,1 1.039,2 1.429,3 136.944,4 2.87,5 1.376,6 2.885,7 1.46,8 74.591,9 1.125,10 1.153,11 3.09,12 0.825,13 2,14 3.186,15 1.402,16 1.384,17 1.444,18 4.176,19 4.849,20 0.455,21 5.124,22 1.451,23 4.666,24 21.93,25 0.48,26 0.48,27 4.031,28 31.996,29 0.739,30 0.739,31 0.43,32 4.236,33 1.83,34 37.551,35 0.538,36 4.86,37 5.024,38 63.062,39 3.668,40 1,41 18.768,42 0.43,43 0.43,44 4.132,45 4.113,46 200.812,47 2.629,48 3.645,49 1.513,50 1.783,51 3.334,52 1.426,53 3.4,54 4.08,55 4.164,56 385.16,57 5.034,58 0.09,59 3.421,60 3.135,61 56,62 0.954,63 3.393,64 5.169,65 35.805,66 2.348,67 21.218,68 4.877,69 3.277,70 10.406,71 1.011,72 1.011,73 6.038,74 3.562,75 0.094,76 5.263,77 2.331,78 246.076,79 280.192,80 14.974,81 59,82 0.197,83 4.952,84 12.128,85 20.938,86 20.938,87 20.938,88 20.938,89 20.938,90 2.897,91 8.435,92 22.482,93 1.595,94 325.212,95 56,96 1.721,97 285.702,98 8.585,99 1.474,100 0.122,101 35.347,102 162.693,103 21.091,104 1.619,105 5.164,106 1.473,107 0.211,108 285.702,109 10.123,110 1791.62,111 1.726,112 2.866,113 0.352,114 4.931,115 145.58,116 540.801,117 25893.7,118 1.807,119 13677,120 6.861,121 21.639,122 0.136,123 4.23,124 10.8,125 902,126 3.364,127 21.957,128 3.472,129 2.097,130 1,131 8.504,132 2.811,133 2.811,134 11.5,135 4.226,136 1.662,137 1.662,138 4.921,139 6.635}
{0 CHEMBL519698,1 1.064,2 1.429,3 144.876,4 2.91,5 1.385,6 2.941,7 1.636,8 79.065,9 1.133,10 1.153,11 3.111,12 0.846,13 2,14 3.206,15 1.405,16 1.472,17 1.611,18 4.183,19 4.95,20 0.921,21 5.323,22 1.928,23 4.767,24 23.4,25 0.927,26 0.927,27 4.09,28 36.579,29 1.175,30 1.175,31 0.509,32 4.342,33 1.882,34 40.529,35 0.627,36 4.99,37 5.22,38 70.102,39 3.734,40 1,41 19.929,42 0.506,43 0.506,44 4.14,45 4.212,46 222.982,47 2.664,48 3.712,49 1.513,50 1.863,51 3.408,52 1.525,53 3.533,54 4.144,55 4.225,56 413.89,57 5.124,58 0.085,59 3.498,60 3.247,61 62.094,62 1,63 3.484,64 5.298,65 38.573,66 2.247,67 22.435,68 4.971,69 3.361,70 11.225,71 2.136,72 2.136,73 6.247,74 3.906,75 0.09,76 5.354,77 2.618,78 285.676,79 320.141,80 15.936,81 65,82 0.188,83 5.071,84 13.196,85 22.19,86 22.19,87 22.19,88 22.19,89 22.19,90 3.155,91 9.113,92 23.868,93 1.651,94 369.16,95 62,96 1.695,97 328.405,98 8.805,99 1.596,100 0.116,101 38.492,102 174.763,103 23.155,104 1.639,105 5.295,106 1.483,107 0.205,108 328.405,109 10.99,110 1980.15,111 1.837,112 2.868,113 0.493,114 5.066,115 158.465,116 581.963,117 29674.2,118 1.872,119 15043,120 7.278,121 24.769,122 0.129,123 4.337,124 11.183,125 867,126 3.239,127 23.372,128 3.532,129 2.093,130 1,131 9.535,132 2.777,133 2.777,134 12.295,135 4.28,136 1.678,137 1.678,138 5.011,139 7.796}
{0 CHEMBL519927,1 1.202,2 1.531,3 172.307,4 2.935,5 1.537,6 2.903,7 1.617,8 202.274,9 1.235,10 1.339,11 3.135,12 0.728,13 2.5,14 3.192,15 1.394,16 1.29,17 1.614,18 4.183,19 4.863,20 1,21 5.557,22 2,23 4.714,24 26.204,25 1,26 1,27 4.164,28 32.013,29 2.136,30 2.136,31 0.916,32 4.339,33 2.408,34 43.142,35 1.355,36 5.17,37 5.425,38 68.358,39 3.815,40 3,41 22.202,42 1,43 1,44 4.141,45 4.229,46 237.779,47 2.814,48 3.801,49 1.62,50 1.87,51 3.572,52 1.917,53 3.658,54 4.2,55 4.37,56 441.64,57 4.995,58 0.073,59 3.563,60 3.44,61 61.84,62 1.019,63 3.551,64 5.208,65 41.696,66 2.405,67 26.246,68 5.18,69 3.515,70 11.597,71 2.165,72 2.165,73 7.004,74 3.419,75 0.077,76 5.172,77 2.673,78 300.291,79 336.265,80 18.402,81 65,82 0.161,83 4.931,84 15.192,85 25.706,86 25.706,87 25.706,88 25.706,89 25.706,90 3.261,91 9.336,92 28.145,93 1.76,94 361.775,95 61,96 1.537,97 343.02,98 9.205,99 1.619,100 0.099,101 50.125,102 211.622,103 25.554,104 1.643,105 5.102,106 1.462,107 0.188,108 343.02,109 11.277,110 2789.84,111 1.837,112 3.071,113 0.436,114 5.011,115 195.421,116 615.081,117 46937.9,118 1.885,119 23658,120 8.306,121 19.125,122 0.111,123 4.799,124 11.333,125 1183,126 3.454,127 26.648,128 3.668,129 2.133,130 1,131 8.433,132 2.962,133 2.962,134 14.055,135 4.281,136 1.862,137 1.862,138 5.214,139 6.137}
{0 CHEMBL519960,1 1.196,2 1.529,3 172.307,4 2.922,5 1.537,6 2.883,7 1.617,8 202.274,9 1.223,10 1.331,11 3.132,12 0.732,13 2.5,14 3.19,15 1.385,16 1.279,17 1.614,18 4.184,19 4.872,20 1,21 5.557,22 2,23 4.725,24 26.334,25 1,26 1,27 4.184,28 34.866,29 2.136,30 2.136,31 0.983,32 4.347,33 2.408,34 43.898,35 1.355,36 5.17,37 5.425,38 69.275,39 3.839,40 3,41 22.202,42 1,43 1,44 4.142,45 4.238,46 233.676,47 2.821,48 3.818,49 1.62,50 1.87,51 3.572,52 1.984,53 3.659,54 4.23,55 4.37,56 447.94,57 5.022,58 0.073,59 3.617,60 3.44,61 62.622,62 1.019,63 3.629,64 5.237,65 42.201,66 2.409,67 26.189,68 5.18,69 3.515,70 11.754,71 2.165,72 2.165,73 7.179,74 3.497,75 0.077,76 5.2,77 2.673,78 298.631,79 337.65,80 18.402,81 66,82 0.161,83 4.952,84 15.192,85 25.706,86 25.706,87 25.706,88 25.706,89 25.706,90 3.261,91 9.457,92 28.145,93 1.773,94 369.16,95 62,96 1.543,97 342.405,98 9.205,99 1.619,100 0.099,101 50.125,102 211.622,103 25.616,104 1.645,105 5.123,106 1.458,107 0.188,108 342.405,109 11.418,110 2789.84,111 1.838,112 3.069,113 0.424,114 5.038,115 188.666,116 620.4,117 46937.9,118 1.885,119 23658,120 8.306,121 19.909,122 0.111,123 4.799,124 11.467,125 1183,126 3.455,127 26.648,128 3.668,129 2.133,130 1,131 8.866,132 2.962,133 2.962,134 14.063,135 4.322,136 1.862,137 1.862,138 5.214,139 6.292}
{0 CHEMBL520110,1 1.195,2 1.527,3 177.922,4 2.923,5 1.537,6 2.883,7 1.617,8 208.182,9 1.22,10 1.328,11 3.133,12 0.731,13 2.5,14 3.191,15 1.382,16 1.277,17 1.614,18 4.184,19 4.878,20 1.009,21 5.587,22 2.015,23 4.735,24 26.755,25 1.04,26 1.04,27 4.194,28 34.649,29 2.218,30 2.218,31 1,32 4.352,33 2.411,34 43.835,35 1.359,36 5.198,37 5.451,38 69.615,39 3.838,40 3,41 22.624,42 1,43 1,44 4.142,45 4.245,46 240.874,47 2.984,48 3.826,49 1.62,50 1.87,51 3.572,52 2,53 3.66,54 4.229,55 4.393,56 454.01,57 5.032,58 0.071,59 3.621,60 3.637,61 63.134,62 1.218,63 3.628,64 5.243,65 42.584,66 2.411,67 26.704,68 5.21,69 3.516,70 11.839,71 2.549,72 2.549,73 7.226,74 3.488,75 0.075,76 5.206,77 2.717,78 304.631,79 345.65,80 18.796,81 66,82 0.157,83 4.962,84 15.315,85 26.154,86 26.154,87 26.154,88 26.154,89 26.154,90 3.464,91 9.523,92 28.55,93 1.917,94 369.16,95 62,96 1.518,97 350.405,98 9.279,99 1.619,100 0.097,101 52.643,102 219.095,103 26.514,104 1.642,105 5.13,106 1.455,107 0.187,108 350.405,109 11.524,110 2965.34,111 1.838,112 3.072,113 0.417,114 5.048,115 202.131,116 623.234,117 50971.4,118 1.885,119 25281,120 8.472,121 18.803,122 0.108,123 4.846,124 11.526,125 1220,126 3.46,127 27.518,128 3.693,129 2.208,130 1,131 8.905,132 2.975,133 2.975,134 14.469,135 4.32,136 2.033,137 2.033,138 5.252,139 7.222}
{0 CHEMBL520312,1 1.064,2 1.525,3 155.757,4 2.931,5 1.513,6 2.941,7 1.638,8 84.6,9 1.153,10 1.201,11 3.162,12 0.846,13 2,14 3.224,15 1.429,16 1.476,17 1.62,18 4.184,19 5.017,20 0.925,21 5.403,22 1.933,23 4.835,24 24.709,25 0.932,26 0.932,27 4.134,28 40.309,29 1.175,30 1.175,31 0.509,32 4.403,33 1.882,34 42.745,35 0.627,36 5.043,37 5.278,38 74.727,39 3.773,40 1,41 21.274,42 0.506,43 0.506,44 4.14,45 4.277,46 244.269,47 2.707,48 3.759,49 1.576,50 1.863,51 3.423,52 1.525,53 3.535,54 4.177,55 4.28,56 439.98,57 5.185,58 0.08,59 3.498,60 3.247,61 66.305,62 1,63 3.484,64 5.39,65 40.815,66 2.249,67 23.932,68 5.05,69 3.382,70 11.706,71 2.136,72 2.136,73 6.543,74 4.058,75 0.085,76 5.407,77 2.659,78 321.795,79 355.91,80 16.867,81 69,82 0.178,83 5.11,84 13.821,85 23.507,86 23.507,87 23.507,88 23.507,89 23.507,90 3.155,91 9.49,92 24.967,93 1.687,94 398.93,95 66,96 1.687,97 361.42,98 8.976,99 1.596,100 0.11,101 42.323,102 189.107,103 25.053,104 1.639,105 5.323,106 1.513,107 0.2,108 361.42,109 11.425,110 2275.54,111 1.837,112 3.004,113 0.577,114 5.158,115 173.525,116 623.156,117 35706.6,118 1.873,119 17505,120 7.778,121 26.979,122 0.122,123 4.46,124 12.267,125 964,126 3.277,127 24.949,128 3.589,129 2.108,130 1,131 10.011,132 2.838,133 2.838,134 13.032,135 4.325,136 1.747,137 1.747,138 5.096,139 8}
{0 CHEMBL520432,1 1.221,2 1.523,3 173.179,4 2.92,5 1.521,6 2.887,7 1.615,8 316.966,9 1.275,10 1.305,11 3.13,12 0.72,13 2.423,14 3.191,15 1.481,16 1.326,17 1.614,18 4.183,19 4.855,20 1,21 5.541,22 2,23 4.714,24 26.226,25 1,26 1,27 4.18,28 32.307,29 2.136,30 2.136,31 0.796,32 4.343,33 2.334,34 43.79,35 1.229,36 5.176,37 5.434,38 68.278,39 3.845,40 3,41 22.047,42 0.873,43 0.873,44 4.141,45 4.233,46 244.486,47 2.96,48 3.812,49 1.521,50 1.714,51 3.569,52 1.808,53 3.655,54 4.234,55 4.367,56 445.49,57 4.996,58 0.073,59 3.596,60 3.625,61 61.916,62 1.116,63 3.683,64 5.206,65 41.883,66 2.407,67 26.17,68 5.171,69 3.514,70 11.527,71 2.273,72 2.273,73 7.636,74 3.339,75 0.077,76 5.17,77 2.705,78 301.046,79 336.265,80 18.296,81 65,82 0.161,83 4.918,84 14.829,85 25.447,86 25.447,87 25.447,88 25.447,89 25.447,90 3.273,91 9.194,92 27.857,93 1.853,94 361.775,95 61,96 1.536,97 341.02,98 9.205,99 1.574,100 0.099,101 50.069,102 211.615,103 26.164,104 1.62,105 5.083,106 1.39,107 0.189,108 341.02,109 11.121,110 2789.84,111 1.694,112 3.076,113 0.393,114 5.01,115 195.421,116 619.936,117 46926.8,118 1.737,119 23573,120 8.222,121 20.577,122 0.111,123 4.777,124 11.217,125 1182,126 3.459,127 26.811,128 3.668,129 2.206,130 1,131 9.002,132 2.984,133 2.984,134 14.065,135 4.284,136 2.018,137 2.018,138 5.214,139 5.886}
{0 CHEMBL520565,1 1.064,2 1.496,3 166.396,4 2.91,5 1.513,6 2.941,7 1.66,8 89.845,9 1.153,10 1.211,11 3.167,12 0.908,13 2.053,14 3.247,15 1.429,16 1.466,17 1.651,18 4.185,19 5.118,20 1,21 5.38,22 2,23 4.926,24 25.492,25 1,26 1,27 4.173,28 44.309,29 2.136,30 2.136,31 0.902,32 4.447,33 2,34 43.927,35 1,36 5.043,37 5.247,38 79.074,39 3.806,40 1,41 22.073,42 0.969,43 0.969,44 4.142,45 4.32,46 243.824,47 2.676,48 3.791,49 1.598,50 1.88,51 3.485,52 1.911,53 3.533,54 4.212,55 4.307,56 452.19,57 5.301,58 0.078,59 3.499,60 3.414,61 69.738,62 1,63 3.496,64 5.486,65 42.094,66 2.36,67 24.713,68 5.086,69 3.436,70 12.201,71 2.238,72 2.238,73 6.873,74 4.336,75 0.085,76 5.563,77 2.629,78 325.043,79 360.959,80 17.257,81 72,82 0.182,83 5.158,84 14.245,85 23.979,86 23.979,87 23.979,88 23.979,89 23.979,90 3.247,91 9.882,92 25.542,93 1.643,94 421.488,95 69,96 2.406,97 369.224,98 9.045,99 1.605,100 0.107,101 48.809,102 197.962,103 26.503,104 1.695,105 5.385,106 1.513,107 0.198,108 369.224,109 11.94,110 2487.58,111 1.887,112 3.041,113 0.621,114 5.223,115 173.362,116 635.353,117 40791.6,118 1.877,119 19768,120 7.889,121 31.367,122 0.119,123 4.601,124 12.779,125 1049,126 3.402,127 25.709,128 3.615,129 2.09,130 1,131 11.017,132 2.827,133 2.827,134 13.854,135 4.371,136 1.723,137 1.723,138 5.134,139 5}
{0 CHEMBL520728,1 0.928,2 1.322,3 123.026,4 2.767,5 1.326,6 2.781,7 1.484,8 64.758,9 1.009,10 1.1,11 2.976,12 0.651,13 1.201,14 3.046,15 1.254,16 1.241,17 1.49,18 4.179,19 4.727,20 -0.072,21 4.913,22 0.87,23 4.54,24 19.555,25 -0.076,26 -0.076,27 3.854,28 26.018,29 -0.478,30 -0.478,31 -0.224,32 4.143,33 1.018,34 33.79,35 -0.281,36 4.771,37 4.868,38 57.647,39 3.529,40 1,41 17.28,42 -0.235,43 -0.235,44 4.136,45 4.017,46 194.688,47 2.322,48 3.516,49 1.467,50 1.706,51 3.331,52 0.723,53 3.399,54 3.892,55 4.058,56 348.26,57 4.836,58 0.101,59 3.331,60 2.561,61 51.116,62 0.209,63 3.316,64 4.99,65 32.278,66 1.883,67 19.79,68 4.74,69 3.266,70 8.947,71 -0.158,72 -0.158,73 4.425,74 2.954,75 0.107,76 5.075,77 2.034,78 248.132,79 263.784,80 13.656,81 53,82 0.225,83 4.727,84 11.765,85 19.317,86 19.317,87 19.317,88 19.317,89 19.317,90 2.342,91 7.273,92 19.879,93 1.307,94 289.294,95 51,97 263.784,98 8.326,99 1.353,100 0.138,101 30.566,102 140.773,103 19.879,104 1.598,105 4.934,106 1.343,107 0.224,108 263.784,109 8.688,110 1365.26,111 1.707,112 2.884,113 0.332,114 4.759,115 130.606,116 503.105,117 18258.5,118 1.7,119 9175,120 6.528,121 19.873,122 0.155,123 3.947,124 9.767,125 665,126 2.929,127 19.933,128 3.375,129 1.879,131 7.039,132 2.506,133 2.506,134 10.31,135 4.016,136 1.327,137 1.327,138 4.769,139 6.77}
{0 CHEMBL520768,1 1.052,2 1.597,3 175.09,4 2.99,5 1.606,6 2.968,7 1.656,8 94.489,9 1.087,10 1.348,11 3.167,12 0.955,13 2.5,14 3.22,15 1.351,16 1.285,17 1.622,18 4.186,19 4.926,20 1,21 5.565,22 2,23 4.775,24 27.139,25 1,26 1,27 4.221,28 35.184,29 2.323,30 2.323,31 1,32 4.4,33 2.5,34 45.767,35 1.5,36 5.198,37 5.438,38 73.687,39 3.873,40 1,41 22.779,42 1,43 1,44 4.144,45 4.285,46 220.795,47 2.872,48 3.859,49 1.62,50 1.892,51 3.579,52 2,53 3.663,54 4.255,55 4.396,56 467.69,57 5.115,58 0.071,59 3.693,60 3.503,61 66.211,62 1.218,63 3.698,64 5.326,65 44.046,66 2.417,67 26.659,68 5.219,69 3.522,70 12.352,71 2.414,72 2.414,73 6.484,74 3.781,75 0.075,76 5.309,77 2.696,78 277.527,79 333.504,80 18.902,81 70,82 0.157,83 5.035,84 15.678,85 26.413,86 26.413,87 26.413,88 26.413,89 26.413,90 3.428,91 10.022,92 28.838,93 1.863,94 398.93,95 66,96 1.546,97 370.175,98 9.285,99 1.744,100 0.097,101 50.968,102 218.563,103 26.052,104 1.834,105 5.218,106 1.479,107 0.186,108 358.665,109 12.061,110 2943.29,111 1.901,112 3.092,113 0.307,114 5.119,115 195.376,116 640.591,117 50287.6,118 1.895,119 25020,120 8.556,121 21.35,122 0.108,123 4.847,124 12.1,125 1215,126 3.461,127 27.355,128 3.693,129 2.133,130 1,131 9.258,132 2.936,133 2.936,134 14.444,135 4.382,136 1.877,137 1.877,138 5.253,139 6}
{0 CHEMBL521113,1 1.213,2 1.537,3 185.424,4 3.036,5 1.544,6 3.013,7 1.617,8 217.42,9 1.256,10 1.358,11 3.181,12 0.732,13 2.5,14 3.23,15 1.416,16 1.296,17 1.614,18 4.184,19 4.878,20 1,21 5.617,22 2,23 4.736,24 27.442,25 1,26 1,27 4.215,28 32.882,29 2.275,30 2.275,31 0.957,32 4.361,33 2.5,34 45.142,35 1.469,36 5.226,37 5.493,38 70.358,39 3.866,40 3,41 23.455,42 1,43 1,44 4.142,45 4.255,46 248.282,47 3.008,48 3.85,49 1.62,50 1.87,51 3.574,52 1.96,53 3.661,54 4.253,55 4.418,56 470.96,57 5.047,58 0.069,59 3.662,60 3.639,61 63.84,62 1.218,63 3.674,64 5.247,65 43.696,66 2.413,67 27.502,68 5.248,69 3.518,70 12.142,71 2.344,72 2.344,73 7.377,74 3.565,75 0.073,76 5.223,77 2.736,78 309.284,79 350.304,80 19.334,81 67,82 0.154,83 4.971,84 15.777,85 27.024,86 27.024,87 27.024,88 27.024,89 27.024,90 3.414,91 9.77,92 29.244,93 1.951,94 376.569,95 63,96 1.528,97 357.814,98 9.347,99 1.619,100 0.095,101 56.775,102 227.122,103 27.05,104 1.649,105 5.137,106 1.463,107 0.185,108 357.814,109 11.797,110 3178.23,111 1.838,112 3.135,113 0.438,114 5.049,115 208.877,116 650,117 55986.6,118 1.885,119 27364,120 8.806,121 18.63,122 0.106,123 4.942,124 11.833,125 1366,126 3.464,127 28.225,128 3.717,129 2.413,130 1,131 8.744,132 2.97,133 2.97,134 14.777,135 4.352,136 2.052,137 2.052,138 5.287,139 6.585}
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{0 CHEMBL939,1 0.961,2 1.417,4 2.89,5 1.376,6 2.882,7 1.407,9 1.021,10 1.127,11 3.108,12 0.825,13 1.555,14 3.174,15 1.259,16 1.258,17 1.429,18 4.107,19 4.851,20 0.34,21 5.063,22 1.27,23 4.683,24 21.807,25 0.391,26 0.391,27 3.967,28 34.793,29 0.598,30 0.598,31 0.236,32 4.233,33 1.471,34 36.557,35 0.34,36 4.762,37 5.024,38 62.472,39 3.608,41 19.212,42 0.282,43 0.282,44 4.079,45 4.125,46 205.859,47 2.481,48 3.614,49 1.513,50 1.75,51 3.241,52 1.162,53 3.432,54 3.975,55 4.172,56 377.55,57 4.91,58 0.089,59 3.362,60 2.898,61 55.945,62 0.734,63 3.346,64 5.162,65 35.236,66 2.032,67 22.231,68 4.899,69 3.167,70 9.925,71 0.737,72 0.737,73 5.373,74 3.258,75 0.092,76 5.131,77 2.319,78 262.591,79 287.22,80 15.135,81 58,82 0.194,83 4.893,84 12.772,85 21.3,86 21.3,87 21.3,88 21.3,89 21.3,90 2.812,91 7.97,92 23.057,93 1.433,94 317.975,95 55,96 2.369,97 287.22,98 8.602,99 1.452,100 0.121,101 36.081,102 162.713,103 22.028,104 1.594,105 5.085,106 1.391,107 0.208,108 287.22,109 9.718,110 1775.43,111 1.775,112 2.963,113 0.377,114 4.924,115 149.58,116 534.972,117 25978.8,118 1.742,119 13808,120 6.944,121 22.65,122 0.135,123 4.318,124 10.136,125 866,126 3.155,127 21.631,128 3.472,129 2.123,130 1,131 8.032,132 2.645,133 2.645,134 11.46,135 4.114,136 1.561,137 1.561,138 4.92,139 5.4}
{0 CHEMBL941,1 1.064,2 1.503,4 2.91,5 1.48,6 2.941,7 1.588,9 1.153,10 1.223,11 3.111,12 0.825,13 2.5,14 3.206,15 1.429,16 1.513,17 1.587,18 4.068,19 5.033,20 0.965,21 5.165,22 1.967,23 4.838,24 26.45,25 1,26 1,27 4.187,28 39.659,29 2.275,30 2.275,31 0.958,32 4.443,33 2.5,34 45.631,35 1.5,36 4.868,37 5.069,38 76.68,39 3.85,41 22.252,42 1,43 1,44 4.028,45 4.309,46 239.113,47 2.861,48 3.826,49 1.591,50 1.946,51 3.467,52 1.961,53 3.667,54 4.233,55 4.35,56 456.33,57 5.205,58 0.07,59 3.614,60 3.414,61 67.643,62 1,63 3.604,64 5.402,65 43.186,66 2.27,67 25.762,68 5.159,69 3.412,70 12.293,71 2.275,72 2.275,73 6.573,74 3.987,75 0.072,76 5.466,77 2.731,78 318.954,79 358.928,80 18.03,81 72,82 0.151,83 5.077,84 15.065,85 25.256,86 25.256,87 25.256,88 25.256,89 25.256,90 3.414,91 9.945,92 28.027,93 1.786,94 413.947,95 68,96 4.8,97 374.438,98 9.086,99 1.681,100 0.096,101 52.079,102 208.703,103 24.883,104 1.728,105 5.286,106 1.546,107 0.189,108 374.438,109 11.937,110 2783.16,111 1.95,112 2.962,113 0.619,114 5.13,115 184.75,116 636.405,117 48375,118 1.936,119 25355,120 8.083,121 26.501,122 0.105,123 4.937,124 12.75,125 1361,126 3.344,127 25.614,128 3.642,129 2.27,130 2,131 9.172,132 2.798,133 2.798,134 13.659,135 4.395,136 1.928,137 1.928,138 5.178,139 5.4}
{0 CHEMBL95692,1 0.821,2 1.363,4 2.715,5 1.376,6 2.735,7 1.385,8 68.615,9 0.886,10 1.153,11 2.854,12 0.63,13 1.158,14 2.925,15 1.131,16 1.181,17 1.429,18 4.13,19 4.677,20 -0.123,21 5.069,22 0.786,23 4.495,24 18.396,25 -0.137,26 -0.137,27 3.82,28 23.96,29 -1.201,30 -1.201,31 -0.463,32 4.072,33 0.81,34 30.512,35 -0.596,36 4.868,37 5.081,38 52.362,39 3.452,40 1,41 16.105,42 -0.504,43 -0.504,44 4.085,45 3.948,46 169.048,47 2.167,48 3.454,49 1.471,50 1.579,51 3.206,52 0.425,53 3.238,54 3.841,55 4.005,56 303.86,57 4.756,58 0.108,59 3.409,60 2.664,61 46.418,62 -0.326,63 3.38,64 4.956,65 29.42,66 1.916,67 18.673,68 4.65,69 3.111,70 8.507,71 -0.314,72 -0.314,73 4.672,74 2.782,75 0.113,76 4.99,77 2,78 213.719,79 221.329,80 12.758,81 49,82 0.241,83 4.714,84 10.774,85 18.077,86 18.077,87 18.077,88 18.077,89 18.077,90 2.326,91 6.906,92 19.879,93 1.148,94 254.084,95 46,97 221.329,98 8.146,99 1.244,100 0.146,101 21.166,102 124.12,103 16.984,104 1.513,105 4.941,106 1.297,107 0.224,108 221.329,109 8.354,110 1052.23,111 1.577,112 2.687,113 0.252,114 4.739,115 114.211,116 430.051,117 12822.4,118 1.6,119 7238,120 5.806,121 18.097,122 0.159,123 3.732,124 8.526,125 486,126 3.012,127 17.933,128 3.306,129 1.306,131 6.392,132 2.625,133 2.625,134 9.601,135 3.973,136 1.234,137 1.234,138 4.668,139 5.8}