@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL2021745

@attribute molecule_id {CHEMBL2022568,CHEMBL2022569,CHEMBL2022570,CHEMBL2022571,CHEMBL2172025,CHEMBL2172030,CHEMBL2172032,CHEMBL2172033,CHEMBL2172034,CHEMBL2172035,CHEMBL2172036,CHEMBL2172037,CHEMBL2172038,CHEMBL2172039,CHEMBL2172040,CHEMBL2172041,CHEMBL2172042,CHEMBL2172043,CHEMBL2172044,CHEMBL2172045,CHEMBL2172048,CHEMBL2172049,CHEMBL2172050,CHEMBL2172051,CHEMBL2172052,CHEMBL2172053,CHEMBL2172054,CHEMBL2172055,CHEMBL2172056,CHEMBL2172059,CHEMBL2172167,CHEMBL2172169,CHEMBL2172170,CHEMBL2172171,CHEMBL2172172,CHEMBL2172174,CHEMBL2172175,CHEMBL2172176,CHEMBL2172180,CHEMBL2172181}
@attribute JGI2 numeric
@attribute AAC numeric
@attribute AECC numeric
@attribute ALOGP numeric
@attribute ALOGP2 numeric
@attribute AMR numeric
@attribute AMW numeric
@attribute ARR numeric
@attribute ATS1e numeric
@attribute ATS1i numeric
@attribute ATS1m numeric
@attribute ATS1p numeric
@attribute ATS1s numeric
@attribute ATS1v numeric
@attribute ATS2e numeric
@attribute ATS2i numeric
@attribute ATS2m numeric
@attribute ATS2p numeric
@attribute ATS2s numeric
@attribute ATS2v numeric
@attribute ATS3e numeric
@attribute ATS3i numeric
@attribute ATS3m numeric
@attribute ATS3p numeric
@attribute ATS3s numeric
@attribute ATS3v numeric
@attribute ATS4e numeric
@attribute ATS4i numeric
@attribute ATS4m numeric
@attribute ATS4p numeric
@attribute ATS4s numeric
@attribute ATS4v numeric
@attribute ATS5e numeric
@attribute ATS5i numeric
@attribute ATS5m numeric
@attribute ATS5p numeric
@attribute ATS5s numeric
@attribute ATS5v numeric
@attribute ATS6e numeric
@attribute ATS6i numeric
@attribute ATS6m numeric
@attribute ATS6p numeric
@attribute ATS6s numeric
@attribute ATS6v numeric
@attribute ATS7e numeric
@attribute ATS7i numeric
@attribute ATS7m numeric
@attribute ATS7p numeric
@attribute ATS7s numeric
@attribute ATS7v numeric
@attribute ATS8e numeric
@attribute ATS8i numeric
@attribute ATS8m numeric
@attribute ATS8p numeric
@attribute ATS8s numeric
@attribute ATS8v numeric
@attribute ATSC1e numeric
@attribute ATSC1i numeric
@attribute ATSC1m numeric
@attribute ATSC1p numeric
@attribute ATSC1s numeric
@attribute ATSC1v numeric
@attribute ATSC2e numeric
@attribute ATSC2i numeric
@attribute ATSC2m numeric
@attribute ATSC2p numeric
@attribute ATSC2s numeric
@attribute ATSC2v numeric
@attribute ATSC3e numeric
@attribute ATSC3i numeric
@attribute ATSC3m numeric
@attribute ATSC3p numeric
@attribute ATSC3s numeric
@attribute ATSC3v numeric
@attribute ATSC4e numeric
@attribute ATSC4i numeric
@attribute ATSC4m numeric
@attribute ATSC4p numeric
@attribute ATSC4s numeric
@attribute ATSC4v numeric
@attribute ATSC5e numeric
@attribute ATSC5i numeric
@attribute ATSC5m numeric
@attribute ATSC5p numeric
@attribute ATSC5s numeric
@attribute ATSC5v numeric
@attribute ATSC6e numeric
@attribute ATSC6i numeric
@attribute ATSC6m numeric
@attribute ATSC6p numeric
@attribute ATSC6s numeric
@attribute ATSC6v numeric
@attribute ATSC7e numeric
@attribute ATSC7i numeric
@attribute ATSC7m numeric
@attribute ATSC7p numeric
@attribute ATSC7s numeric
@attribute ATSC7v numeric
@attribute ATSC8e numeric
@attribute ATSC8i numeric
@attribute ATSC8m numeric
@attribute ATSC8p numeric
@attribute ATSC8s numeric
@attribute ATSC8v numeric
@attribute BAC numeric
@attribute BBI numeric
@attribute BIC0 numeric
@attribute BIC1 numeric
@attribute BIC2 numeric
@attribute BIC3 numeric
@attribute BIC4 numeric
@attribute BIC5 numeric
@attribute BID numeric
@attribute BLI numeric
@attribute BLTA96 numeric
@attribute BLTD48 numeric
@attribute BLTF96 numeric
@attribute C. numeric
@attribute C.001 numeric
@attribute C.002 numeric
@attribute C.003 numeric
@attribute C.006 numeric
@attribute C.013 numeric
@attribute C.014 numeric
@attribute C.024 numeric
@attribute C.025 numeric
@attribute C.026 numeric
@attribute C.027 numeric
@attribute C.028 numeric
@attribute C.034 numeric
@attribute C.035 numeric
@attribute C.040 numeric
@attribute CATS2D_00_DD numeric
@attribute CATS2D_00_DP numeric
@attribute CATS2D_00_PP numeric
@attribute CATS2D_01_AN numeric
@attribute CATS2D_01_DN numeric
@attribute CATS2D_01_LL numeric
@attribute CATS2D_01_NL numeric
@attribute CATS2D_02_AL numeric
@attribute CATS2D_02_AN numeric
@attribute CATS2D_02_AP numeric
@attribute CATS2D_02_DA numeric
@attribute CATS2D_02_DL numeric
@attribute CATS2D_02_DN numeric
@attribute CATS2D_02_LL numeric
@attribute CATS2D_02_NL numeric
@attribute CATS2D_02_PL numeric
@attribute CATS2D_03_AA numeric
@attribute CATS2D_03_AL numeric
@attribute CATS2D_03_AN numeric
@attribute CATS2D_03_AP numeric
@attribute CATS2D_03_DD numeric
@attribute CATS2D_03_DL numeric
@attribute CATS2D_03_DN numeric
@attribute CATS2D_03_LL numeric
@attribute CATS2D_03_NL numeric
@attribute CATS2D_03_PL numeric
@attribute CATS2D_04_AA numeric
@attribute CATS2D_04_AL numeric
@attribute CATS2D_04_AN numeric
@attribute CATS2D_04_DD numeric
@attribute CATS2D_04_DL numeric
@attribute CATS2D_04_DP numeric
@attribute CATS2D_04_LL numeric
@attribute CATS2D_04_NL numeric
@attribute CATS2D_04_PL numeric
@attribute CATS2D_05_AA numeric
@attribute CATS2D_05_AL numeric
@attribute CATS2D_05_AN numeric
@attribute CATS2D_05_DA numeric
@attribute CATS2D_05_DL numeric
@attribute CATS2D_05_LL numeric
@attribute pXC50 numeric

@data
{1 0.085,2 1.461,3 10.348,4 4.402,5 19.374,6 90.447,7 7.473,8 0.68,9 3.801,10 3.912,11 3.364,12 3.403,13 4.967,14 3.372,15 4.278,16 4.43,17 3.693,18 3.776,19 5.473,20 3.718,21 4.503,22 4.695,23 3.702,24 3.885,25 5.578,26 3.792,27 4.596,28 4.815,29 3.607,30 3.86,31 5.625,32 3.741,33 4.591,34 4.838,35 3.445,36 3.761,37 5.586,38 3.63,39 4.448,40 4.691,41 3.337,42 3.608,43 5.484,44 3.492,45 4.194,46 4.415,47 3.261,48 3.455,49 5.261,50 3.354,51 4.172,52 4.413,53 3.038,54 3.297,55 5.255,56 3.178,57 0.057,58 0.555,59 8.026,60 3.812,61 9.145,62 4.799,63 0.139,64 0.874,65 13.885,66 6.263,67 31.921,68 8.306,69 0.191,70 1.068,71 18.598,72 7.912,73 30.458,74 10.722,75 0.229,76 1.155,77 21.383,78 8.483,79 32.529,80 11.663,81 0.24,82 1.085,83 22.891,84 8.666,85 49.148,86 11.729,87 0.264,88 0.917,89 20.222,90 7.496,91 53.321,92 9.904,93 0.078,94 0.772,95 14.267,96 5.616,97 19.91,98 7.713,99 0.161,100 0.709,101 15.011,102 5.446,103 34.752,104 7.281,105 11,106 34,107 0.256,108 0.585,109 0.681,110 0.777,111 0.832,112 0.832,113 3.187,114 0.908,115 -4.59,116 -4.51,117 -4.24,118 46.3,119 1,120 2,125 9,126 4,129 1,130 1,132 1,136 1,137 1,138 16,140 1,141 1,143 1,144 2,146 21,147 1,149 1,150 3,154 2,155 1,156 20,157 1,160 2,162 1,163 2,165 16,166 2,169 3,172 3,173 13,174 6.041}
{0 CHEMBL2022569,1 0.083,2 1.554,3 7.353,4 2.883,5 8.313,6 65.311,7 7.429,8 0.611,9 3.525,10 3.642,11 3.072,12 3.069,13 4.713,14 3.048,15 3.999,16 4.163,17 3.385,18 3.42,19 5.241,20 3.371,21 4.193,22 4.394,23 3.35,24 3.491,25 5.303,26 3.403,27 4.28,28 4.512,29 3.238,30 3.436,31 5.333,32 3.324,33 4.236,34 4.491,35 3.043,36 3.297,37 5.281,38 3.181,39 4.078,40 4.319,41 2.987,42 3.149,43 5.213,44 3.067,45 3.795,46 4.011,47 2.942,48 3.003,49 4.995,50 2.94,51 3.742,52 3.979,53 2.558,54 2.706,55 4.99,56 2.617,57 0.063,58 0.44,59 6.275,60 2.868,61 8.983,62 3.618,63 0.15,64 0.674,65 10.9,66 4.568,67 32.052,68 6.208,69 0.199,70 0.773,71 14.065,72 5.475,73 29.278,74 7.613,75 0.242,76 0.8,77 16.16,78 5.644,79 31.022,80 8.062,81 0.26,82 0.701,83 16.603,84 5.43,85 47.021,86 7.551,87 0.284,88 0.582,89 14.418,90 4.562,91 52.873,92 6.115,93 0.083,94 0.506,95 9.638,96 3.319,97 14.667,98 4.693,99 0.167,100 0.414,101 10.042,102 2.954,103 29.757,104 4.05,105 11,106 24,107 0.295,108 0.654,109 0.738,110 0.797,111 0.838,112 0.838,113 2.907,114 0.915,115 -3.34,116 -3.32,117 -3.18,118 41.9,119 1,120 2,125 5,126 2,129 1,130 1,132 1,136 1,137 1,138 9,140 1,141 1,143 1,144 2,146 11,147 1,149 1,150 3,154 2,155 1,156 9,157 1,160 2,162 1,163 2,165 6,166 2,169 3,172 3,173 4,174 5.37}
{0 CHEMBL2022570,1 0.083,2 1.625,3 9.435,4 4.151,5 17.23,6 86.063,7 8.167,8 0.68,9 3.746,10 3.849,11 3.376,12 3.34,13 4.999,14 3.331,15 4.212,16 4.348,17 3.734,18 3.71,19 5.542,20 3.685,21 4.43,22 4.597,23 3.747,24 3.816,25 5.678,26 3.761,27 4.533,28 4.744,29 3.658,30 3.8,31 5.668,32 3.717,33 4.478,34 4.689,35 3.593,36 3.745,37 5.605,38 3.664,39 4.436,40 4.639,41 3.534,42 3.66,43 5.65,44 3.586,45 4.358,46 4.596,47 3.384,48 3.478,49 5.536,50 3.405,51 4.083,52 4.302,53 3.241,54 3.244,55 5.323,56 3.198,57 0.092,58 0.586,59 6.357,60 3.48,61 11.848,62 3.936,63 0.196,64 0.921,65 11.289,66 5.668,67 35.286,68 6.848,69 0.306,70 1.135,71 15.518,72 7.094,73 43.046,74 8.514,75 0.378,76 1.16,77 19.312,78 7.774,79 51.389,80 9.917,81 0.311,82 1.013,83 18.936,84 7.751,85 53.905,86 9.863,87 0.318,88 1.015,89 17.744,90 7.064,91 46.09,92 8.678,93 0.348,94 0.958,95 18.368,96 6.716,97 57.997,98 8.429,99 0.226,100 0.749,101 13.116,102 4.926,103 37.713,104 6.087,105 18,106 35,107 0.289,108 0.635,109 0.748,110 0.85,111 0.863,112 0.863,113 3.188,114 0.86,115 -4.74,116 -4.65,117 -4.37,118 47.4,119 1,120 1,125 8,126 4,127 1,129 1,130 1,132 1,136 1,137 1,138 13,140 1,141 1,143 1,144 2,146 18,147 1,149 1,150 3,154 2,155 1,156 18,157 1,160 2,162 1,163 2,165 14,166 2,169 4,172 4,173 12,174 6.523}
{0 CHEMBL2022571,1 0.074,2 1.718,3 7.368,4 3.159,5 9.978,6 75.82,7 8.785,8 0.714,9 3.562,10 3.653,11 3.323,12 3.221,13 4.768,14 3.175,15 4.029,16 4.153,17 3.734,18 3.625,19 5.302,20 3.547,21 4.18,22 4.326,23 3.66,24 3.67,25 5.35,26 3.554,27 4.265,28 4.46,29 3.567,30 3.599,31 5.372,32 3.471,33 4.134,34 4.324,35 3.499,36 3.431,37 5.29,38 3.314,39 4.044,40 4.221,41 3.354,42 3.303,43 5.252,44 3.207,45 3.836,46 4.046,47 3.034,48 3.073,49 4.98,50 3.01,51 3.615,52 3.794,53 2.828,54 2.849,55 4.905,56 2.803,57 0.076,58 0.44,59 5.204,60 2.884,61 9.001,62 3.121,63 0.167,64 0.7,65 9.953,66 5.029,67 31.403,68 5.712,69 0.218,70 0.827,71 15.885,72 6.494,73 26.056,74 6.952,75 0.268,76 0.882,77 16.811,78 6.588,79 29.419,80 7.542,81 0.256,82 0.74,83 16.458,84 5.988,85 39.768,86 6.514,87 0.278,88 0.676,89 17.891,90 5.851,91 36.278,92 5.65,93 0.136,94 0.524,95 10.94,96 4.226,97 22.596,98 5.106,99 0.082,100 0.445,101 6.075,102 2.671,103 9.633,104 3.203,105 11,106 30,107 0.32,108 0.713,109 0.799,110 0.869,111 0.881,112 0.881,113 3.011,114 0.959,115 -3.52,116 -3.5,117 -3.34,118 45.2,119 1,120 1,125 5,126 2,129 1,130 3,132 1,136 1,137 1,138 6,140 1,141 1,143 1,144 2,146 11,147 1,149 1,150 3,154 2,155 1,156 10,157 1,160 1,162 1,163 1,165 5,166 1,169 3,172 3,173 6,174 6.523}
{0 CHEMBL2172025,1 0.083,2 1.598,3 9.435,4 3.549,5 12.593,6 87.885,7 7.933,8 0.68,9 3.764,10 3.885,11 3.373,12 3.357,13 4.99,14 3.34,15 4.233,16 4.384,17 3.727,18 3.728,19 5.483,20 3.695,21 4.452,22 4.625,23 3.744,24 3.834,25 5.676,26 3.773,27 4.549,28 4.77,29 3.649,30 3.823,31 5.645,32 3.731,33 4.503,34 4.729,35 3.59,36 3.781,37 5.577,38 3.685,39 4.479,40 4.706,41 3.528,42 3.704,43 5.624,44 3.61,45 4.406,46 4.666,47 3.378,48 3.528,49 5.519,50 3.432,51 4.135,52 4.375,53 3.235,54 3.299,55 5.305,56 3.229,57 0.072,58 0.632,59 6.921,60 3.429,61 10.658,62 4.153,63 0.116,64 0.975,65 12.203,66 5.799,67 24.797,68 7.324,69 0.261,70 1.184,71 16.552,72 7.224,73 43.556,74 8.856,75 0.313,76 1.21,77 19.974,78 7.771,79 45.904,80 10.227,81 0.229,82 1.087,83 19.418,84 7.687,85 44.119,86 10.32,87 0.239,88 1.093,89 19.052,90 7.261,91 42.571,92 9.602,93 0.278,94 1.02,95 19.483,96 6.941,97 51.847,98 9.225,99 0.178,100 0.804,101 14.095,102 5.125,103 34.005,104 6.734,105 18,106 35,107 0.282,108 0.624,109 0.746,110 0.846,111 0.858,112 0.858,113 3.188,114 0.867,115 -4.33,116 -4.27,117 -4.03,118 46.2,119 1,120 1,125 8,126 4,127 1,129 1,130 1,132 1,133 1,134 1,135 1,138 13,140 1,142 1,143 1,144 2,146 18,149 1,150 3,152 1,154 2,156 18,158 1,160 2,162 1,163 2,164 1,165 14,167 1,169 4,172 4,173 12,174 5.854}
{0 CHEMBL2172030,1 0.089,2 1.625,3 10.217,4 4.151,5 17.23,6 86.063,7 8.167,8 0.68,9 3.746,10 3.849,11 3.376,12 3.34,13 4.999,14 3.331,15 4.212,16 4.348,17 3.734,18 3.71,19 5.541,20 3.685,21 4.43,22 4.597,23 3.747,24 3.816,25 5.68,26 3.761,27 4.533,28 4.744,29 3.636,30 3.791,31 5.674,32 3.704,33 4.475,34 4.699,35 3.534,36 3.698,37 5.592,38 3.609,39 4.365,40 4.572,41 3.434,42 3.547,43 5.598,44 3.475,45 4.228,46 4.468,47 3.18,48 3.292,49 5.457,50 3.216,51 3.907,52 4.15,53 2.922,54 3.034,55 5.042,56 2.962,57 0.092,58 0.586,59 6.357,60 3.48,61 11.848,62 3.936,63 0.196,64 0.921,65 11.289,66 5.668,67 35.226,68 6.848,69 0.306,70 1.135,71 15.518,72 7.094,73 43.392,74 8.514,75 0.375,76 1.159,77 19.235,78 7.774,79 50.207,80 9.911,81 0.326,82 0.994,83 19.606,84 7.747,85 55.679,86 10.015,87 0.314,88 0.939,89 16.865,90 6.486,91 45.392,92 7.953,93 0.34,94 0.84,95 16.337,96 5.758,97 51.089,98 7.05,99 0.266,100 0.598,101 12.21,102 4.363,103 49.663,104 5.366,105 18,106 35,107 0.289,108 0.635,109 0.723,110 0.798,111 0.826,112 0.826,113 3.188,114 0.86,115 -4.74,116 -4.65,117 -4.37,118 47.4,119 1,120 1,125 8,126 4,127 1,129 1,130 1,132 1,136 1,137 1,138 13,140 1,141 1,143 1,144 2,146 18,147 1,149 1,150 3,154 2,155 1,156 18,157 1,160 2,162 1,163 2,165 13,166 2,169 4,172 4,173 10,174 6.398}
{0 CHEMBL2172032,1 0.076,2 1.625,3 8.87,4 4.151,5 17.23,6 86.063,7 8.167,8 0.68,9 3.746,10 3.849,11 3.376,12 3.34,13 4.999,14 3.331,15 4.212,16 4.348,17 3.734,18 3.71,19 5.542,20 3.685,21 4.43,22 4.597,23 3.747,24 3.816,25 5.669,26 3.761,27 4.533,28 4.743,29 3.692,30 3.799,31 5.688,32 3.724,33 4.49,34 4.696,35 3.636,36 3.743,37 5.686,38 3.676,39 4.448,40 4.647,41 3.541,42 3.659,43 5.691,44 3.592,45 4.351,46 4.592,47 3.379,48 3.479,49 5.503,50 3.401,51 4.091,52 4.309,53 3.191,54 3.244,55 5.331,56 3.191,57 0.092,58 0.586,59 6.357,60 3.48,61 11.848,62 3.936,63 0.196,64 0.921,65 11.289,66 5.668,67 35.346,68 6.848,69 0.306,70 1.135,71 15.518,72 7.094,73 44.071,74 8.514,75 0.357,76 1.173,77 19.227,78 7.775,79 46.933,80 9.948,81 0.343,82 1.084,83 19.216,84 7.79,85 58.273,86 9.58,87 0.371,88 1.073,89 18.109,90 7.103,91 56.875,92 8.364,93 0.321,94 0.929,95 18.186,96 6.697,97 54.399,98 8.585,99 0.275,100 0.765,101 13.383,102 4.945,103 45.738,104 5.899,105 18,106 35,107 0.289,108 0.635,109 0.76,110 0.873,111 0.891,112 0.901,113 3.189,114 0.86,115 -4.74,116 -4.65,117 -4.37,118 47.4,119 1,120 1,125 8,126 4,127 1,129 1,130 1,132 1,136 1,137 1,138 13,140 1,141 1,143 1,144 2,146 18,147 1,149 1,150 3,154 2,155 1,156 17,157 1,160 2,162 1,163 2,165 13,166 2,169 4,172 4,173 12,174 6.301}
{0 CHEMBL2172033,1 0.083,2 1.625,3 8.826,4 4.151,5 17.23,6 86.063,7 8.167,8 0.68,9 3.746,10 3.849,11 3.376,12 3.34,13 5,14 3.331,15 4.212,16 4.348,17 3.734,18 3.71,19 5.532,20 3.685,21 4.431,22 4.596,23 3.779,24 3.815,25 5.689,26 3.768,27 4.544,28 4.75,29 3.732,30 3.797,31 5.763,32 3.736,33 4.5,34 4.703,35 3.643,36 3.742,37 5.726,38 3.681,39 4.442,40 4.643,41 3.537,42 3.659,43 5.663,44 3.589,45 4.357,46 4.597,47 3.336,48 3.479,49 5.509,50 3.395,51 4.075,52 4.297,53 3.236,54 3.245,55 5.274,56 3.194,57 0.092,58 0.586,59 6.357,60 3.48,61 11.909,62 3.936,63 0.196,64 0.921,65 11.289,66 5.668,67 36.372,68 6.848,69 0.284,70 1.148,71 15.434,72 7.094,73 39.615,74 8.545,75 0.389,76 1.244,77 19.507,78 7.813,79 51.301,80 9.666,81 0.397,82 1.142,83 19.581,84 7.828,85 69.058,86 9.267,87 0.344,88 1.044,89 17.927,90 7.083,91 53.277,92 8.521,93 0.37,94 0.945,95 18.453,96 6.716,97 62.424,98 8.397,99 0.2,100 0.72,101 12.934,102 4.906,103 32.947,104 6.244,105 18,106 35,107 0.289,108 0.635,109 0.757,110 0.869,111 0.901,112 0.901,113 3.189,114 0.86,115 -4.74,116 -4.65,117 -4.37,118 47.4,119 1,120 1,125 8,126 4,127 1,129 1,130 1,132 1,136 1,137 1,138 13,140 1,141 1,143 1,144 2,146 17,147 1,149 1,150 3,154 2,155 1,156 16,157 1,160 2,162 1,163 2,165 13,166 2,169 4,172 4,173 12,174 6.046}
{0 CHEMBL2172034,1 0.092,2 1.746,3 10.385,4 4.888,5 23.89,6 91.82,7 8.789,8 0.607,9 3.834,10 3.932,11 3.509,12 3.397,13 5.118,14 3.41,15 4.347,16 4.478,17 3.969,18 3.772,19 6.131,20 3.778,21 4.51,22 4.664,23 3.925,24 3.896,25 5.852,26 3.866,27 4.688,28 4.894,29 3.879,30 3.882,31 6.013,32 3.841,33 4.607,34 4.82,35 3.721,36 3.8,37 5.854,38 3.745,39 4.476,40 4.672,41 3.633,42 3.718,43 5.695,44 3.657,45 4.443,46 4.663,47 3.63,48 3.589,49 5.741,50 3.552,51 4.317,52 4.528,53 3.545,54 3.398,55 5.738,56 3.408,57 0.198,58 0.787,59 5.795,60 3.922,61 36.691,62 3.955,63 0.868,64 1.595,65 12.406,66 6.485,67 159.902,68 6.95,69 0.463,70 1.401,71 14.234,72 7.821,73 60.747,74 8.88,75 0.814,76 1.564,77 22.062,78 9.077,79 116.424,80 10.318,81 0.807,82 1.308,83 22.262,84 8.699,85 139.422,86 10.017,87 0.553,88 1.097,89 17.243,90 7.356,91 84.117,92 8.824,93 0.565,94 1.14,95 18.613,96 7.26,97 85.327,98 8.928,99 0.657,100 1.138,101 16.77,102 6.17,103 109.535,104 6.527,105 41,106 41,107 0.306,108 0.634,109 0.737,110 0.831,111 0.854,112 0.854,113 3.304,114 0.835,115 -5.19,116 -5.09,117 -4.76,118 46.3,119 1,120 1,123 1,125 8,126 5,129 1,130 1,132 1,136 1,137 1,138 15,140 1,141 1,143 1,144 2,146 20,147 1,149 1,150 3,154 2,155 1,156 19,157 1,160 2,162 1,163 2,165 15,166 2,169 4,172 4,173 14,174 6.398}
{0 CHEMBL2172035,1 0.098,2 1.746,3 11.154,4 4.888,5 23.89,6 91.82,7 8.789,8 0.607,9 3.834,10 3.932,11 3.509,12 3.397,13 5.118,14 3.41,15 4.347,16 4.478,17 3.969,18 3.772,19 6.131,20 3.778,21 4.51,22 4.664,23 3.925,24 3.896,25 5.854,26 3.866,27 4.688,28 4.894,29 3.862,30 3.874,31 6.018,32 3.83,33 4.605,34 4.83,35 3.669,36 3.755,37 5.844,38 3.695,39 4.408,40 4.608,41 3.543,42 3.612,43 5.645,44 3.554,45 4.324,46 4.544,47 3.475,48 3.424,49 5.669,50 3.391,51 4.181,52 4.408,53 3.339,54 3.203,55 5.613,56 3.21,57 0.198,58 0.787,59 5.795,60 3.922,61 36.691,62 3.955,63 0.868,64 1.595,65 12.406,66 6.485,67 159.791,68 6.95,69 0.463,70 1.401,71 14.234,72 7.821,73 61.246,74 8.88,75 0.81,76 1.559,77 21.918,78 9.076,79 114.535,80 10.309,81 0.828,82 1.273,83 23.203,84 8.663,85 141.823,86 10.196,87 0.539,88 1.01,89 16.506,90 6.759,91 82.399,92 8.114,93 0.53,94 1.013,95 16.527,96 6.306,97 74.631,98 7.543,99 0.655,100 0.998,101 16.155,102 5.592,103 110.948,104 5.859,105 41,106 41,107 0.306,108 0.634,109 0.709,110 0.76,111 0.795,112 0.82,113 3.303,114 0.835,115 -5.19,116 -5.09,117 -4.76,118 46.3,119 1,120 1,123 1,125 8,126 5,129 1,130 1,132 1,136 1,137 1,138 15,140 1,141 1,143 1,144 2,146 20,147 1,149 1,150 3,154 2,155 1,156 19,157 1,160 2,162 1,163 2,165 14,166 2,169 4,172 4,173 12,174 5.959}
{0 CHEMBL2172036,1 0.074,2 1.801,3 11.111,4 6.065,5 36.788,6 93.42,7 8.961,8 0.586,9 3.87,10 3.96,11 3.557,12 3.394,13 5.166,14 3.424,15 4.386,16 4.504,17 4.028,18 3.758,19 6.245,20 3.776,21 4.498,22 4.648,23 3.884,24 3.886,25 5.738,26 3.852,27 4.656,28 4.848,29 3.915,30 3.904,31 5.931,32 3.864,33 4.68,34 4.885,35 3.861,36 3.847,37 6.023,38 3.818,39 4.583,40 4.784,41 3.696,42 3.733,43 5.876,44 3.694,45 4.43,46 4.647,47 3.575,48 3.576,49 5.61,50 3.533,51 4.271,52 4.46,53 3.603,54 3.422,55 5.662,56 3.436,57 0.256,58 0.794,59 5.698,60 4.017,61 39.909,62 3.861,63 1.226,64 1.508,65 12.989,66 6.455,67 173.299,68 6.826,69 0.557,70 1.244,71 13.798,72 7.607,73 67.111,74 8.616,75 0.736,76 1.44,77 19.359,78 8.749,79 82.133,80 10.37,81 0.986,82 1.505,83 23.225,84 9.276,85 147.371,86 10.323,87 0.908,88 1.256,89 20.517,90 8.006,91 132.788,92 8.816,93 0.677,94 0.976,95 18.608,96 6.954,97 92.912,98 8.681,99 0.549,100 1.008,101 14.147,102 5.808,103 69.03,104 6.615,105 42,106 42,107 0.314,108 0.656,109 0.756,110 0.847,111 0.858,112 0.858,113 3.34,114 0.822,115 -4.41,116 -4.34,117 -4.09,118 45.2,119 1,120 1,124 1,125 8,126 4,127 1,129 1,130 1,132 1,136 1,137 1,138 13,140 3,141 1,143 1,144 2,146 18,147 1,149 1,150 5,154 2,155 1,156 18,157 1,160 3,162 1,163 2,165 14,166 2,169 5,172 4,173 12,174 6.523}
{0 CHEMBL2172037,1 0.079,2 1.801,3 11.926,4 6.065,5 36.788,6 93.42,7 8.961,8 0.586,9 3.87,10 3.96,11 3.557,12 3.394,13 5.166,14 3.424,15 4.386,16 4.504,17 4.028,18 3.758,19 6.244,20 3.776,21 4.498,22 4.648,23 3.884,24 3.886,25 5.74,26 3.852,27 4.656,28 4.847,29 3.898,30 3.896,31 5.936,32 3.853,33 4.678,34 4.894,35 3.817,36 3.805,37 6.015,38 3.771,39 4.521,40 4.727,41 3.612,42 3.629,43 5.835,44 3.595,45 4.31,46 4.525,47 3.41,48 3.409,49 5.531,50 3.369,51 4.127,52 4.331,53 3.399,54 3.246,55 5.488,56 3.253,57 0.256,58 0.794,59 5.698,60 4.017,61 39.909,62 3.861,63 1.226,64 1.508,65 12.989,66 6.455,67 173.188,68 6.826,69 0.557,70 1.244,71 13.798,72 7.607,73 67.611,74 8.616,75 0.732,76 1.434,77 19.192,78 8.748,79 80.193,80 10.361,81 1.008,82 1.469,83 24.243,84 9.224,85 149.853,86 10.505,87 0.89,88 1.167,89 19.819,90 7.399,91 130.879,92 8.109,93 0.631,94 0.848,95 16.501,96 6.002,97 81.575,98 7.295,99 0.556,100 0.874,101 13.795,102 5.228,103 75.84,104 5.923,105 42,106 42,107 0.314,108 0.656,109 0.734,110 0.8,111 0.825,112 0.825,113 3.339,114 0.822,115 -4.41,116 -4.34,117 -4.09,118 45.2,119 1,120 1,124 1,125 8,126 4,127 1,129 1,130 1,132 1,136 1,137 1,138 13,140 3,141 1,143 1,144 2,146 18,147 1,149 1,150 5,154 2,155 1,156 18,157 1,160 3,162 1,163 2,165 13,166 2,169 5,172 4,173 10,174 5.699}
{0 CHEMBL2172038,1 0.08,2 1.54,3 10.167,4 3.824,5 14.625,6 91.584,7 8.138,8 0.654,9 3.763,10 3.864,11 3.395,12 3.386,13 5.038,14 3.37,15 4.215,16 4.35,17 3.734,18 3.757,19 5.494,20 3.721,21 4.437,22 4.599,23 3.772,24 3.882,25 5.647,26 3.815,27 4.567,28 4.777,29 3.704,30 3.863,31 5.721,32 3.775,33 4.511,34 4.724,35 3.614,36 3.787,37 5.651,38 3.702,39 4.439,40 4.64,41 3.534,42 3.71,43 5.607,44 3.626,45 4.365,46 4.598,47 3.419,48 3.57,49 5.507,50 3.482,51 4.135,52 4.354,53 3.291,54 3.367,55 5.367,56 3.304,57 0.068,58 0.534,59 6.38,60 3.316,61 12.426,62 3.873,63 0.153,64 0.823,65 11.14,66 5.477,67 35.025,68 6.853,69 0.194,70 1.021,71 14.842,72 6.903,73 31.948,74 8.77,75 0.28,76 1.153,77 19.376,78 7.789,79 45.975,80 10.225,81 0.256,82 1.033,83 19.511,84 7.847,85 58.606,86 9.955,87 0.241,88 0.968,89 17.567,90 7.076,91 46.049,92 8.76,93 0.211,94 0.893,95 17.621,96 6.805,97 44.502,98 8.908,99 0.157,100 0.733,101 13.308,102 5.027,103 37.207,104 6.478,105 21,106 36,107 0.27,108 0.64,109 0.748,110 0.846,111 0.859,112 0.859,113 3.228,114 0.859,115 -3.99,116 -3.94,117 -3.74,118 48.7,119 1,120 1,125 8,126 5,129 1,130 1,132 2,136 1,137 1,138 15,140 2,141 1,143 1,144 2,146 20,147 1,149 1,150 5,154 2,155 1,156 19,157 1,160 4,162 1,163 2,165 15,166 2,169 5,172 4,173 14,174 6.523}
{0 CHEMBL2172039,1 0.088,2 1.59,3 10.28,4 2.948,5 8.688,6 94.427,7 7.985,8 0.63,9 3.841,10 3.951,11 3.445,12 3.417,13 5.1,14 3.408,15 4.295,16 4.433,17 3.804,18 3.795,19 5.636,20 3.765,21 4.517,22 4.674,23 3.84,24 3.923,25 5.755,26 3.866,27 4.655,28 4.859,29 3.781,30 3.92,31 5.83,32 3.839,33 4.626,34 4.847,35 3.664,36 3.85,37 5.748,38 3.76,39 4.516,40 4.728,41 3.577,42 3.753,43 5.651,44 3.666,45 4.421,46 4.645,47 3.508,48 3.616,49 5.58,50 3.54,51 4.269,52 4.477,53 3.405,54 3.458,55 5.508,56 3.404,57 0.103,58 0.599,59 7.464,60 3.647,61 15.747,62 4.292,63 0.228,64 0.909,65 12.78,66 6.08,67 47.885,68 7.685,69 0.27,70 1.1,71 16.858,72 7.589,73 41.787,74 9.533,75 0.365,76 1.224,77 21.648,78 8.468,79 52.092,80 11.119,81 0.366,82 1.127,83 22.771,84 8.734,85 69.427,86 11.373,87 0.303,88 1.026,89 19.732,90 7.667,91 50.937,92 9.934,93 0.257,94 0.922,95 18.498,96 6.975,97 45.14,98 9.25,99 0.24,100 0.803,101 15.409,102 5.589,103 44.166,104 7.19,105 30,106 38,107 0.276,108 0.633,109 0.743,110 0.834,111 0.866,112 0.866,113 3.267,114 0.858,115 -3.63,116 -3.6,117 -3.43,118 45.2,119 1,120 1,125 8,126 5,129 1,130 1,132 2,133 1,134 1,135 1,136 1,137 1,138 15,140 2,141 1,142 1,143 2,144 3,146 20,147 1,148 1,149 1,150 5,154 4,155 1,156 19,157 1,158 2,160 4,162 1,163 4,165 15,166 2,167 2,169 5,172 5,173 14,174 6.699}
{0 CHEMBL2172040,1 0.088,2 1.584,3 10.28,4 3.55,5 12.601,6 92.605,7 8.204,8 0.63,9 3.825,10 3.917,11 3.448,12 3.401,13 5.108,14 3.4,15 4.276,16 4.398,17 3.811,18 3.777,19 5.687,20 3.755,21 4.496,22 4.647,23 3.843,24 3.905,25 5.753,26 3.854,27 4.643,28 4.837,29 3.785,30 3.895,31 5.853,32 3.825,33 4.595,34 4.802,35 3.665,36 3.821,37 5.752,38 3.743,39 4.488,40 4.69,41 3.579,42 3.733,43 5.65,44 3.654,45 4.413,46 4.632,47 3.515,48 3.597,49 5.604,50 3.53,51 4.251,52 4.445,53 3.411,54 3.419,55 5.538,56 3.382,57 0.126,58 0.553,59 6.906,60 3.703,61 17.388,62 4.068,63 0.302,64 0.856,65 11.856,66 5.952,67 59.11,68 7.195,69 0.29,70 1.051,71 15.76,72 7.502,73 37.972,74 9.15,75 0.445,76 1.176,77 21.128,78 8.49,79 58.611,80 10.645,81 0.445,82 1.073,83 21.784,84 8.536,85 77.944,86 10.655,87 0.349,88 0.996,89 18.644,90 7.451,91 51.611,92 9.364,93 0.317,94 0.901,95 18.311,96 7.011,97 47.722,98 9.062,99 0.315,100 0.755,101 15.136,102 5.628,103 52.111,104 6.797,105 30,106 38,107 0.276,108 0.617,109 0.719,110 0.83,111 0.87,112 0.87,113 3.267,114 0.85,115 -4.03,116 -3.98,117 -3.77,118 46.3,119 1,120 1,125 8,126 5,129 1,130 1,132 2,136 2,137 2,138 15,139 1,140 2,141 1,143 2,144 3,146 20,147 3,149 1,150 5,154 4,155 1,156 19,157 3,160 4,162 1,163 4,165 15,166 3,169 5,172 5,173 14,174 5.959}
{0 CHEMBL2172041,1 0.074,2 1.562,3 11,4 3.585,5 12.849,6 97.154,7 7.964,8 0.607,9 3.886,10 3.983,11 3.485,12 3.458,13 5.139,14 3.449,15 4.351,16 4.484,17 3.84,18 3.837,19 5.713,20 3.804,21 4.583,22 4.741,23 3.846,24 3.97,25 5.782,26 3.903,27 4.709,28 4.92,29 3.83,30 3.975,31 5.839,32 3.888,33 4.684,34 4.89,35 3.762,36 3.899,37 5.876,38 3.825,39 4.582,40 4.782,41 3.626,42 3.799,43 5.762,44 3.718,45 4.471,46 4.701,47 3.506,48 3.673,49 5.548,50 3.58,51 4.323,52 4.535,53 3.475,54 3.536,55 5.522,56 3.474,57 0.115,58 0.594,59 7.871,60 4.065,61 17.464,62 4.651,63 0.295,64 0.927,65 13.699,66 6.598,67 61.332,68 8.236,69 0.349,70 1.137,71 18.555,72 8.278,73 56.696,74 10.221,75 0.354,76 1.27,77 23.27,78 9.436,79 45.926,80 12.596,81 0.424,82 1.164,83 23.987,84 9.304,85 74.513,86 11.763,87 0.405,88 1.073,89 21.193,90 8.09,91 67.589,92 10.094,93 0.285,94 0.963,95 19.652,96 7.582,97 49.572,98 10.143,99 0.218,100 0.832,101 16.336,102 6.358,103 35.161,104 8.327,105 31,106 39,107 0.268,108 0.616,109 0.734,110 0.851,111 0.873,112 0.873,113 3.304,114 0.869,115 -3.99,116 -3.94,117 -3.74,118 45.5,119 1,120 2,125 8,126 5,129 1,130 1,132 2,136 2,137 2,138 16,139 1,140 2,141 1,143 2,144 3,146 22,147 2,149 1,150 4,154 3,155 1,156 21,157 3,160 4,162 1,163 4,165 16,166 4,169 6,172 6,173 15,174 6.398}
{0 CHEMBL2172042,1 0.074,2 1.565,3 8.773,4 2.795,5 7.811,6 83.689,7 7.928,8 0.708,9 3.719,10 3.828,11 3.332,12 3.302,13 4.944,14 3.29,15 4.177,16 4.324,17 3.664,18 3.668,19 5.441,20 3.636,21 4.366,22 4.536,23 3.672,24 3.776,25 5.524,26 3.709,27 4.491,28 4.708,29 3.616,30 3.761,31 5.579,32 3.674,33 4.448,34 4.661,35 3.556,36 3.7,37 5.569,38 3.622,39 4.385,40 4.588,41 3.447,42 3.612,43 5.549,44 3.53,45 4.303,46 4.555,47 3.268,48 3.429,49 5.373,50 3.336,51 3.999,52 4.216,53 3.121,54 3.187,55 5.157,56 3.121,57 0.07,58 0.534,59 6.589,60 3.212,61 9.643,62 3.86,63 0.174,64 0.824,65 11.531,66 5.132,67 33.91,68 6.581,69 0.205,70 0.967,71 14.64,72 6.406,73 29.399,74 8.331,75 0.275,76 1.054,77 18.66,78 7.2,79 34.762,80 9.729,81 0.254,82 0.967,83 18.601,84 7.138,85 45.934,86 9.246,87 0.246,88 0.917,89 16.987,90 6.413,91 43.285,92 8.141,93 0.245,94 0.819,95 17.387,96 6.046,97 41.379,98 8.179,99 0.13,100 0.622,101 11.738,102 4.332,103 23.631,104 5.722,105 11,106 33,107 0.279,108 0.655,109 0.804,110 0.888,111 0.898,112 0.898,113 3.147,114 0.864,115 -3.33,116 -3.31,117 -3.17,118 45.9,119 1,120 1,125 6,126 4,128 2,129 1,130 1,132 1,136 1,137 1,138 11,140 3,141 1,143 1,144 2,146 14,147 1,149 1,150 5,154 2,155 1,156 13,157 1,160 4,162 1,163 2,165 10,166 2,169 6,172 4,173 8,174 6.398}
{0 CHEMBL2172043,1 0.074,2 1.565,3 8.773,4 2.795,5 7.811,6 83.689,7 7.928,8 0.708,9 3.719,10 3.828,11 3.332,12 3.302,13 4.944,14 3.29,15 4.177,16 4.324,17 3.664,18 3.668,19 5.443,20 3.636,21 4.366,22 4.536,23 3.668,24 3.781,25 5.519,26 3.713,27 4.488,28 4.7,29 3.613,30 3.779,31 5.57,32 3.687,33 4.465,34 4.68,35 3.558,36 3.72,37 5.575,38 3.634,39 4.409,40 4.621,41 3.448,42 3.616,43 5.56,44 3.532,45 4.289,46 4.535,47 3.273,48 3.422,49 5.367,50 3.33,51 4.019,52 4.252,53 3.112,54 3.181,55 5.166,56 3.118,57 0.07,58 0.534,59 6.589,60 3.212,61 9.643,62 3.86,63 0.174,64 0.824,65 11.531,66 5.132,67 33.919,68 6.581,69 0.213,70 0.965,71 14.679,72 6.407,73 30.049,74 8.314,75 0.26,76 1.046,77 18.371,78 7.354,79 33.208,80 9.879,81 0.24,82 0.976,83 18.937,84 7.482,85 45.122,86 9.737,87 0.264,88 0.937,89 17.747,90 6.527,91 45.313,92 8.368,93 0.223,94 0.808,95 16.92,96 6.026,97 39.51,98 8.131,99 0.166,100 0.634,101 12.437,102 4.275,103 27.049,104 5.7,105 11,106 33,107 0.279,108 0.655,109 0.784,110 0.859,111 0.859,112 0.859,113 3.147,114 0.864,115 -3.33,116 -3.31,117 -3.17,118 45.9,119 1,120 1,125 6,126 4,128 2,129 1,130 1,132 1,136 1,137 1,138 11,140 3,141 1,143 1,144 2,146 15,147 1,149 1,150 4,154 2,155 1,156 14,157 1,160 3,162 1,163 2,165 10,166 2,169 6,172 4,173 8,174 6.523}
{0 CHEMBL2172044,1 0.065,2 1.547,3 10.304,4 3.987,5 15.898,6 86.951,7 7.907,8 0.68,9 3.773,10 3.871,11 3.381,12 3.339,13 4.992,14 3.333,15 4.231,16 4.363,17 3.718,18 3.683,19 5.507,20 3.662,21 4.437,22 4.601,23 3.704,24 3.751,25 5.604,26 3.703,27 4.496,28 4.703,29 3.601,30 3.713,31 5.592,32 3.64,33 4.414,34 4.619,35 3.549,36 3.678,37 5.548,38 3.607,39 4.392,40 4.581,41 3.453,42 3.623,43 5.582,44 3.544,45 4.314,46 4.563,47 3.171,48 3.394,49 5.382,50 3.28,51 3.961,52 4.203,53 2.918,54 3.008,55 5.019,56 2.92,57 0.08,58 0.53,59 7.053,60 3.551,61 9.92,62 4.124,63 0.175,64 0.815,65 12.237,66 5.665,67 33.224,68 6.989,69 0.309,70 0.961,71 16.751,72 6.84,73 35.847,74 8.395,75 0.367,76 1.013,77 19.354,78 7.176,79 38.967,80 9.259,81 0.275,82 0.909,83 18.03,84 7.094,85 44.851,86 9.012,87 0.29,88 0.9,89 17.035,90 6.564,91 43.307,92 8.061,93 0.255,94 0.802,95 17.645,96 6.352,97 40.06,98 8.5,99 0.279,100 0.529,101 12.778,102 4.498,103 34.455,104 5.938,105 11,106 34,107 0.273,108 0.605,109 0.698,110 0.791,111 0.831,112 0.831,113 3.188,114 0.867,115 -4.1,116 -4.05,117 -3.83,118 46.2,119 1,120 1,125 9,126 2,127 2,129 1,130 1,132 1,136 1,137 1,138 10,140 5,141 1,143 1,144 2,146 12,147 1,149 1,150 7,154 2,155 1,156 9,157 1,160 4,162 1,163 2,165 7,166 2,169 5,172 4,173 10,174 6.301}
{0 CHEMBL2172045,1 0.059,2 1.547,3 9.522,4 3.987,5 15.898,6 86.951,7 7.907,8 0.68,9 3.773,10 3.871,11 3.381,12 3.339,13 4.992,14 3.333,15 4.231,16 4.363,17 3.718,18 3.683,19 5.508,20 3.662,21 4.437,22 4.601,23 3.704,24 3.751,25 5.6,26 3.703,27 4.496,28 4.703,29 3.631,30 3.714,31 5.594,32 3.649,33 4.428,34 4.617,35 3.583,36 3.696,37 5.579,38 3.637,39 4.424,40 4.613,41 3.548,42 3.685,43 5.596,44 3.613,45 4.39,46 4.613,47 3.403,48 3.53,49 5.502,50 3.44,51 4.175,52 4.406,53 3.112,54 3.264,55 5.331,56 3.164,57 0.08,58 0.53,59 7.053,60 3.551,61 9.92,62 4.124,63 0.175,64 0.815,65 12.237,66 5.665,67 33.224,68 6.989,69 0.309,70 0.961,71 16.751,72 6.84,73 35.841,74 8.395,75 0.353,76 1.013,77 19.331,78 7.175,79 38.514,80 9.281,81 0.326,82 0.912,83 18.122,84 7.03,85 46.757,86 8.573,87 0.259,88 0.937,89 17.384,90 6.88,91 42.168,92 8.584,93 0.324,94 0.869,95 18.222,96 6.84,97 41.045,98 8.992,99 0.449,100 0.676,101 15.577,102 5.423,103 47.051,104 7.092,105 11,106 34,107 0.273,108 0.605,109 0.707,110 0.815,111 0.855,112 0.867,113 3.188,114 0.867,115 -4.1,116 -4.05,117 -3.83,118 46.2,119 1,120 1,125 9,126 2,127 2,129 1,130 1,132 1,136 1,137 1,138 10,140 5,141 1,143 1,144 2,146 12,147 1,149 1,150 7,154 2,155 1,156 8,157 1,160 5,162 1,163 2,165 7,166 2,169 5,172 4,173 11,174 6.222}
{0 CHEMBL2172048,1 0.086,2 1.52,3 7.3,4 3.335,5 11.125,6 77.16,7 7.833,8 0.727,9 3.637,10 3.742,11 3.242,12 3.24,13 4.839,14 3.222,15 4.106,16 4.246,17 3.597,18 3.623,19 5.359,20 3.584,21 4.31,22 4.477,23 3.628,24 3.741,25 5.452,26 3.673,27 4.433,28 4.637,29 3.552,30 3.73,31 5.516,32 3.636,33 4.403,34 4.625,35 3.423,36 3.628,37 5.482,38 3.529,39 4.289,40 4.503,41 3.384,42 3.497,43 5.436,44 3.426,45 4.16,46 4.374,47 3.288,48 3.328,49 5.378,50 3.272,51 3.998,52 4.233,53 2.795,54 2.953,55 5.262,56 2.859,57 0.063,58 0.47,59 6.201,60 3.06,61 8.969,62 3.674,63 0.144,64 0.738,65 10.797,66 5.037,67 31.323,68 6.457,69 0.186,70 0.891,71 14.067,72 6.237,73 27.821,74 8.115,75 0.233,76 0.991,77 17.249,78 6.949,79 30.512,80 9.259,81 0.218,82 0.902,83 18.214,84 7.163,85 43.919,86 9.322,87 0.215,88 0.819,89 16.15,90 5.977,91 41.765,92 7.659,93 0.144,94 0.735,95 13.891,96 5.009,97 27.457,98 6.508,99 0.193,100 0.587,101 12.766,102 4.157,103 34.727,104 5.235,105 11,106 31,107 0.277,108 0.632,109 0.734,110 0.818,111 0.869,112 0.89,113 3.059,114 0.873,115 -3.95,116 -3.9,117 -3.7,118 47.1,119 1,120 1,125 7,126 4,129 1,130 1,132 1,136 1,137 1,138 13,140 1,141 1,143 1,144 2,146 18,147 1,149 1,150 3,154 2,155 1,156 18,157 1,160 2,162 1,163 2,165 13,166 2,169 4,172 4,173 8,174 6.699}
{0 CHEMBL2172049,1 0.079,2 1.52,3 8,4 3.335,5 11.125,6 77.16,7 7.833,8 0.727,9 3.637,10 3.742,11 3.242,12 3.24,13 4.838,14 3.222,15 4.106,16 4.246,17 3.597,18 3.623,19 5.362,20 3.584,21 4.31,22 4.477,23 3.606,24 3.732,25 5.46,26 3.659,27 4.429,28 4.648,29 3.492,30 3.682,31 5.499,32 3.581,33 4.33,34 4.555,35 3.344,36 3.529,37 5.424,38 3.435,39 4.194,40 4.401,41 3.231,42 3.385,43 5.376,44 3.307,45 4.081,46 4.321,47 3.107,48 3.22,49 5.198,50 3.142,51 3.801,52 4.012,53 2.939,54 2.984,55 5.003,56 2.929,57 0.063,58 0.47,59 6.201,60 3.06,61 8.968,62 3.674,63 0.144,64 0.738,65 10.797,66 5.037,67 31.279,68 6.457,69 0.182,70 0.891,71 14.018,72 6.237,73 27.618,74 8.11,75 0.245,76 0.98,77 17.778,78 6.95,79 32.213,80 9.386,81 0.217,82 0.833,83 17.182,84 6.588,85 43.027,86 8.561,87 0.213,88 0.741,89 14.521,90 5.305,91 40.25,92 6.639,93 0.179,94 0.651,95 13.798,96 4.929,97 34.064,98 6.493,99 0.106,100 0.503,101 9.685,102 3.534,103 20.674,104 4.555,105 11,106 31,107 0.277,108 0.632,109 0.738,110 0.833,111 0.858,112 0.879,113 3.058,114 0.872,115 -3.95,116 -3.9,117 -3.7,118 47.1,119 1,120 1,125 7,126 4,129 1,130 1,132 1,136 1,137 1,138 13,140 1,141 1,143 1,144 2,146 18,147 1,149 1,150 3,154 2,155 1,156 17,157 1,160 2,162 1,163 2,165 11,166 2,169 4,172 4,173 8,174 5.959}
{0 CHEMBL2172050,1 0.079,2 1.606,3 8,4 2.62,5 6.866,6 74.208,7 8.1,8 0.727,9 3.62,10 3.727,11 3.251,12 3.195,13 4.849,14 3.191,15 4.085,16 4.227,17 3.611,18 3.56,19 5.38,20 3.542,21 4.275,22 4.451,23 3.616,24 3.642,25 5.479,26 3.599,27 4.35,28 4.561,29 3.497,30 3.586,31 5.485,32 3.516,33 4.267,34 4.487,35 3.36,36 3.439,37 5.432,38 3.372,39 4.133,40 4.339,41 3.236,42 3.304,43 5.407,44 3.246,45 3.976,46 4.202,47 3.096,48 3.177,49 5.106,50 3.111,51 3.781,52 3.985,53 2.939,54 2.977,55 4.996,56 2.925,57 0.079,58 0.489,59 5.694,60 2.828,61 9.716,62 3.309,63 0.173,64 0.763,65 10.091,66 4.555,67 32.856,68 5.789,69 0.252,70 0.903,71 13.269,72 5.256,73 31.969,74 6.773,75 0.296,76 0.927,77 15.73,78 5.725,79 33.943,80 7.606,81 0.308,82 0.801,83 15.848,84 5.74,85 46.496,86 7.345,87 0.358,88 0.698,89 13.587,90 4.549,91 51.33,92 5.677,93 0.17,94 0.595,95 11.741,96 4.311,97 26.346,98 5.697,99 0.134,100 0.488,101 9.197,102 3.431,103 21.165,104 4.373,105 11,106 31,107 0.294,108 0.687,109 0.778,110 0.864,111 0.886,112 0.886,113 3.058,114 0.855,115 -2.91,116 -2.92,117 -2.82,118 45.5,119 1,120 1,125 6,126 2,129 3,130 1,132 1,136 1,137 1,138 7,140 5,141 1,143 1,144 2,146 8,147 1,149 1,150 7,154 2,155 1,156 8,157 1,160 2,162 1,163 1,165 6,166 1,168 1,169 3,170 1,171 1,172 2,173 6,174 5.77}
{0 CHEMBL2172051,1 0.08,2 1.597,3 9.542,4 4.818,5 23.211,6 90.69,7 7.912,8 0.654,9 3.812,10 3.919,11 3.415,12 3.401,13 5.033,14 3.385,15 4.292,16 4.438,17 3.765,18 3.773,19 5.577,20 3.737,21 4.524,22 4.71,23 3.8,24 3.88,25 5.717,26 3.818,27 4.599,28 4.806,29 3.745,30 3.88,31 5.725,32 3.801,33 4.604,34 4.821,35 3.667,36 3.86,37 5.67,38 3.767,39 4.561,40 4.775,41 3.665,42 3.78,43 5.749,44 3.704,45 4.516,46 4.736,47 3.488,48 3.629,49 5.733,50 3.552,51 4.292,52 4.539,53 3.334,54 3.424,55 5.425,56 3.345,57 0.083,58 0.626,59 7.328,60 3.849,61 12.026,62 4.509,63 0.184,64 0.991,65 13.124,66 6.317,67 36.806,68 7.871,69 0.302,70 1.222,71 18.533,72 7.989,73 47.463,74 10.052,75 0.367,76 1.251,77 20.768,78 8.129,79 48.986,80 10.503,81 0.314,82 1.155,83 21.766,84 8.648,85 58.228,86 11.264,87 0.276,88 1.136,89 20.775,90 8.18,91 45.304,92 10.508,93 0.432,94 1.08,95 21.338,96 7.655,97 77.872,98 9.241,99 0.24,100 0.886,101 17.115,102 6.291,103 42.822,104 8.268,105 21,106 36,107 0.279,108 0.632,109 0.76,110 0.854,111 0.866,112 0.866,113 3.229,114 0.891,115 -4.97,116 -4.87,117 -4.57,118 46.3,119 1,120 2,125 8,126 4,127 1,129 1,130 1,132 1,136 1,137 1,138 14,140 1,141 1,143 1,144 2,146 18,147 1,149 1,150 3,154 3,155 1,156 19,157 1,160 3,162 1,163 2,165 15,166 2,169 4,172 4,173 13,174 6.523}
{0 CHEMBL2172052,1 0.082,2 1.57,3 9.64,4 5.28,5 27.882,6 95.264,7 7.691,8 0.63,9 3.874,10 3.985,11 3.453,12 3.458,13 5.074,14 3.435,15 4.367,16 4.521,17 3.815,18 3.841,19 5.616,20 3.798,21 4.613,22 4.8,23 3.859,24 3.968,25 5.781,26 3.895,27 4.733,28 4.961,29 3.826,30 3.978,31 5.812,32 3.892,33 4.716,34 4.938,35 3.736,36 3.963,37 5.75,38 3.861,39 4.672,40 4.895,41 3.782,42 3.887,43 5.846,44 3.81,45 4.653,46 4.858,47 3.582,48 3.76,49 5.902,50 3.68,51 4.465,52 4.73,53 3.418,54 3.577,55 5.525,56 3.473,57 0.074,58 0.666,59 8.285,60 4.215,61 11.707,62 5.075,63 0.177,64 1.061,65 14.94,66 6.957,67 39.463,68 8.87,69 0.272,70 1.329,71 20.622,72 8.891,73 46.95,74 11.398,75 0.397,76 1.405,77 25.093,78 9.276,79 53.842,80 12.482,81 0.318,82 1.295,83 24.634,84 9.541,85 61.193,86 12.69,87 0.232,88 1.255,89 23.671,90 9.278,91 43.778,92 12.258,93 0.511,94 1.202,95 24.514,96 8.601,97 97.566,98 10.183,99 0.248,100 1.022,101 20.855,102 7.614,103 47.272,104 10.351,105 30,106 38,107 0.271,108 0.618,109 0.737,110 0.823,111 0.834,112 0.834,113 3.267,114 0.901,115 -5.19,116 -5.09,117 -4.76,118 45.5,119 2,120 1,121 1,125 8,126 4,127 1,129 1,130 1,132 1,136 1,137 1,138 15,140 1,141 1,143 1,144 2,146 19,147 1,149 1,150 3,154 4,155 1,156 20,157 1,160 4,162 1,163 2,165 16,166 2,169 4,172 4,173 14,174 6.301}
{0 CHEMBL2172053,1 0.078,2 1.655,3 10.12,4 4.462,5 19.912,6 91.686,7 8.104,8 0.63,9 3.848,10 3.947,11 3.468,12 3.398,13 5.088,14 3.399,15 4.328,16 4.463,17 3.813,18 3.753,19 5.643,20 3.738,21 4.536,22 4.707,23 3.843,24 3.843,25 5.769,26 3.807,27 4.563,28 4.749,29 3.8,30 3.845,31 5.731,32 3.796,33 4.61,34 4.802,35 3.781,36 3.861,37 5.801,38 3.797,39 4.608,40 4.823,41 3.734,42 3.807,43 5.742,44 3.744,45 4.55,46 4.755,47 3.634,48 3.662,49 5.813,50 3.618,51 4.407,52 4.618,53 3.454,54 3.492,55 5.646,56 3.443,57 0.118,58 0.639,59 7.281,60 3.946,61 13.571,62 4.409,63 0.324,64 0.991,65 13.537,66 6.344,67 40.935,68 7.514,69 0.48,70 1.183,71 18.819,72 7.897,73 54.902,74 9.397,75 0.441,76 1.193,77 19.32,78 7.717,79 49.863,80 9.51,81 0.578,82 1.161,83 21.049,84 8.146,85 68.353,86 10.305,87 0.382,88 1.184,89 21.622,90 8.27,91 41.029,92 10.653,93 0.517,94 1.099,95 21.49,96 7.727,97 75.976,98 9.151,99 0.458,100 0.938,101 18.9,102 6.598,103 67.553,104 7.933,105 22,106 37,107 0.288,108 0.642,109 0.767,110 0.858,111 0.87,112 0.87,113 3.267,114 0.874,115 -4.85,116 -4.76,117 -4.47,118 45.2,119 1,120 1,122 1,125 8,126 4,127 1,129 1,131 1,132 1,136 1,137 1,138 13,140 3,141 1,143 2,144 1,146 17,147 1,149 2,150 3,154 2,155 1,156 17,157 1,160 3,161 1,162 1,163 3,165 14,166 1,168 1,169 6,171 1,172 3,173 11,174 5.921}
{0 CHEMBL2172054,1 0.072,2 1.547,3 10.821,4 5.815,5 33.817,6 106.235,7 8.276,8 0.742,9 3.917,10 4.014,11 3.567,12 3.555,13 5.161,14 3.541,15 4.375,16 4.493,17 3.92,18 3.933,19 5.685,20 3.902,21 4.625,22 4.794,23 3.956,24 4.042,25 5.812,26 3.981,27 4.698,28 4.894,29 3.928,30 4.018,31 5.876,32 3.955,33 4.667,34 4.86,35 3.903,36 4.026,37 5.769,38 3.958,39 4.697,40 4.895,41 3.935,42 4.01,43 5.895,44 3.949,45 4.692,46 4.888,47 3.838,48 3.905,49 5.971,50 3.853,51 4.539,52 4.748,53 3.682,54 3.754,55 5.775,56 3.695,57 0.08,58 0.647,59 7.118,60 3.966,61 11.627,62 4.493,63 0.164,64 1.025,65 12.027,66 6.472,67 32.993,68 7.676,69 0.272,70 1.324,71 18.506,72 8.777,73 40.855,74 10.729,75 0.387,76 1.388,77 21.827,78 8.999,79 61.695,80 11.039,81 0.259,82 1.287,83 20.756,84 8.932,85 46.521,86 11.128,87 0.218,88 1.349,89 21.565,90 9.263,91 31.65,92 11.62,93 0.406,94 1.323,95 23.315,96 9.339,97 73.682,98 10.692,99 0.32,100 1.13,101 20.433,102 8.161,103 59.772,104 9.76,105 11,106 43,107 0.261,108 0.534,109 0.651,110 0.809,111 0.86,112 0.86,113 3.375,114 0.854,115 -5.89,116 -5.75,117 -5.35,118 51.1,120 1,125 13,126 5,127 1,129 1,130 1,132 1,136 1,137 1,138 19,140 2,143 1,144 1,145 1,146 24,147 1,150 4,151 1,153 1,154 3,156 23,157 1,159 1,160 4,163 4,165 18,166 2,169 5,172 6,173 17,174 5.745}
{0 CHEMBL2172055,1 0.066,2 1.528,3 11.483,4 5.85,5 34.223,6 110.785,7 8.051,8 0.719,9 3.973,10 4.073,11 3.6,12 3.604,13 5.191,14 3.584,15 4.443,16 4.571,17 3.946,18 3.984,19 5.715,20 3.944,21 4.698,22 4.874,23 3.966,24 4.096,25 5.845,26 4.021,27 4.785,28 4.995,29 3.919,30 4.07,31 5.901,32 3.986,33 4.746,34 4.962,35 3.926,36 4.061,37 5.793,38 3.982,39 4.742,40 4.933,41 3.961,42 4.053,43 5.921,44 3.992,45 4.767,46 4.981,47 3.905,48 3.99,49 5.964,50 3.927,51 4.646,52 4.845,53 3.806,54 3.87,55 5.901,56 3.815,57 0.072,58 0.69,59 8.1,60 4.35,61 11.888,62 5.083,63 0.155,64 1.1,65 13.978,66 7.179,67 34.842,68 8.776,69 0.271,70 1.42,71 20.827,72 9.548,73 42.941,74 11.898,75 0.379,76 1.488,77 25.077,78 10.17,79 63.312,80 12.966,81 0.254,82 1.375,83 24.423,84 10.06,85 51.999,86 13.153,87 0.261,88 1.42,89 22.882,90 9.388,91 46.545,92 11.579,93 0.332,94 1.449,95 25.719,96 10.143,97 62.84,98 12.499,99 0.301,100 1.248,101 22.397,102 8.94,103 59.912,104 10.717,105 11,106 44,107 0.255,108 0.54,109 0.656,110 0.813,111 0.853,112 0.863,113 3.408,114 0.87,115 -5.84,116 -5.7,117 -5.3,118 50,120 2,125 13,126 5,127 1,129 1,130 1,132 1,136 1,137 1,138 20,140 2,143 1,144 1,145 1,146 26,147 1,150 3,151 1,153 1,154 3,156 24,157 1,159 1,160 4,163 3,165 18,166 2,169 6,172 6,173 17,174 6.155}
{0 CHEMBL2172056,1 0.069,2 1.509,3 12.133,4 6.306,5 39.768,6 115.386,7 7.853,8 0.697,9 4.026,10 4.13,11 3.631,12 3.651,13 5.22,14 3.626,15 4.508,16 4.644,17 3.972,18 4.033,19 5.745,20 3.984,21 4.771,22 4.96,23 3.992,24 4.146,25 5.879,26 4.062,27 4.847,28 5.061,29 3.93,30 4.123,31 5.931,32 4.027,33 4.829,34 5.057,35 3.916,36 4.111,37 5.82,38 4.012,39 4.816,40 5.029,41 3.982,42 4.087,43 5.941,44 4.016,45 4.809,46 5.016,47 3.932,48 4.035,49 5.988,50 3.971,51 4.724,52 4.942,53 3.875,54 3.958,55 5.893,56 3.892,57 0.065,58 0.732,59 9.07,60 4.732,61 11.938,62 5.666,63 0.147,64 1.175,65 15.866,66 7.869,67 36.504,68 9.846,69 0.267,70 1.515,71 23.617,72 10.492,73 45.314,74 13.415,75 0.375,76 1.575,77 27.163,78 10.859,79 63.519,80 14.065,81 0.243,82 1.474,83 27.35,84 11.185,85 52.289,86 14.952,87 0.253,88 1.505,89 26.416,90 10.467,91 53.276,92 13.519,93 0.373,94 1.516,95 26.909,96 10.213,97 73.633,98 12.436,99 0.234,100 1.374,101 24.676,102 9.744,103 49.229,104 12.452,105 11,106 45,107 0.249,108 0.547,109 0.679,110 0.828,111 0.866,112 0.866,113 3.44,114 0.889,115 -6.04,116 -5.89,117 -5.48,118 49,120 3,125 13,126 5,127 1,129 1,130 1,132 1,136 1,137 1,138 21,140 2,143 1,144 1,145 1,146 27,147 1,150 3,151 1,153 1,154 3,156 26,157 1,159 1,160 3,163 3,165 19,166 2,169 6,172 5,173 17,174 6.097}
{0 CHEMBL2172059,1 0.089,2 1.769,3 7.235,4 2.633,5 6.93,6 60.926,7 8.366,8 0.611,9 3.453,10 3.558,11 3.087,12 2.981,13 4.755,14 2.992,15 3.911,16 4.054,17 3.439,18 3.325,19 5.326,20 3.323,21 4.092,22 4.26,23 3.414,24 3.386,25 5.436,26 3.357,27 4.192,28 4.414,29 3.28,30 3.329,31 5.399,32 3.268,33 4.068,34 4.288,35 3.173,36 3.195,37 5.284,38 3.149,39 3.963,40 4.149,41 3.065,42 3.052,43 5.353,44 3.033,45 3.825,46 4.07,47 2.768,48 2.726,49 5.137,50 2.686,51 3.383,52 3.642,53 2.446,54 1.997,55 4.961,56 2.045,57 0.122,58 0.47,59 4.615,60 2.551,61 15.678,62 2.776,63 0.246,64 0.721,65 8.419,66 4.017,67 39.959,68 4.824,69 0.354,70 0.83,71 11.021,72 4.734,73 46.89,74 5.524,75 0.433,76 0.78,77 14.252,78 4.969,79 57.146,80 6.419,81 0.38,82 0.625,83 13.474,84 4.595,85 64.416,86 5.916,87 0.406,88 0.614,89 11.205,90 3.693,91 58.732,92 4.099,93 0.332,94 0.486,95 11.215,96 3.289,97 46.065,98 4.243,99 0.346,100 0.387,101 8.179,102 2.035,103 48.573,104 2.52,105 18,106 25,107 0.344,108 0.728,109 0.803,110 0.831,111 0.831,112 0.831,113 2.908,114 0.849,115 -3.47,116 -3.45,117 -3.29,118 42.9,119 1,120 1,125 4,126 2,127 1,129 1,130 1,132 1,136 1,137 1,138 6,140 1,141 1,143 1,144 2,146 8,147 1,149 1,150 3,154 2,155 1,156 7,157 1,160 2,162 1,163 2,165 3,166 2,169 4,172 4,173 2,174 6.155}
{0 CHEMBL2172167,1 0.08,2 1.769,3 6.588,4 2.633,5 6.93,6 60.926,7 8.366,8 0.611,9 3.453,10 3.558,11 3.087,12 2.981,13 4.755,14 2.992,15 3.911,16 4.054,17 3.439,18 3.325,19 5.327,20 3.323,21 4.092,22 4.26,23 3.414,24 3.386,25 5.425,26 3.357,27 4.193,28 4.413,29 3.33,30 3.328,31 5.42,32 3.278,33 4.092,34 4.305,35 3.189,36 3.192,37 5.391,38 3.162,39 3.955,40 4.142,41 3.122,42 3.051,43 5.332,44 3.042,45 3.851,46 4.085,47 2.966,48 2.721,49 5.34,50 2.725,51 3.419,52 3.666,53 2.256,54 2.004,55 5.312,56 1.993,57 0.122,58 0.47,59 4.615,60 2.551,61 15.678,62 2.776,63 0.246,64 0.721,65 8.419,66 4.017,67 40.07,68 4.824,69 0.354,70 0.83,71 11.021,72 4.734,73 48.208,74 5.524,75 0.413,76 0.802,77 14.168,78 4.972,79 54.21,80 6.441,81 0.468,82 0.697,83 13.975,84 4.649,85 78.923,86 5.46,87 0.357,88 0.613,89 10.953,90 3.678,91 50.56,92 4.273,93 0.421,94 0.591,95 11.471,96 3.294,97 54.416,98 4.168,99 0.558,100 0.335,101 8.772,102 2.086,103 99.004,104 2.205,105 18,106 25,107 0.344,108 0.728,109 0.831,110 0.887,111 0.887,112 0.887,113 2.908,114 0.849,115 -3.47,116 -3.45,117 -3.29,118 42.9,119 1,120 1,125 4,126 2,127 1,129 1,130 1,132 1,136 1,137 1,138 6,140 1,141 1,143 1,144 2,146 8,147 1,149 1,150 3,154 2,155 1,156 6,157 1,160 2,162 1,163 2,165 3,166 2,169 4,172 4,173 3,174 6.699}
{0 CHEMBL2172169,1 0.093,2 1.892,3 7.45,4 3.369,5 11.352,6 66.684,7 9.17,8 0.524,9 3.57,10 3.669,11 3.261,12 3.061,13 4.905,14 3.101,15 4.09,16 4.225,17 3.744,18 3.415,19 6.018,20 3.454,21 4.202,22 4.352,23 3.654,24 3.507,25 5.651,26 3.51,27 4.404,28 4.618,29 3.611,30 3.47,31 5.804,32 3.473,33 4.262,34 4.459,35 3.509,36 3.335,37 5.69,38 3.355,39 4.219,40 4.422,41 3.313,42 3.201,43 5.692,44 3.224,45 3.985,46 4.193,47 3.273,48 2.961,49 5.423,50 3.014,51 3.839,52 4.032,53 3.345,54 2.5,55 5.73,56 2.71,57 0.255,58 0.667,59 4.036,60 2.972,61 46.334,62 2.791,63 0.9,64 1.333,65 9.501,66 4.752,67 163.917,68 4.946,69 0.546,70 1.098,71 9.578,72 5.46,73 73.402,74 5.907,75 0.944,76 1.143,77 17.179,78 6.172,79 144.26,80 6.828,81 0.84,82 0.997,83 15.191,84 5.54,85 146.341,86 5.985,87 0.98,88 0.857,89 15.405,90 4.797,91 160.397,92 4.513,93 0.6,94 0.744,95 11.724,96 3.879,97 100.218,98 4.499,99 0.68,100 0.834,101 9.697,102 2.747,103 82.791,104 2.829,105 41,106 31,107 0.359,108 0.713,109 0.809,110 0.858,111 0.87,112 0.87,113 3.058,114 0.817,115 -4,116 -3.95,117 -3.74,118 41.9,119 1,120 1,123 1,125 4,126 3,129 1,130 1,132 1,136 1,137 1,138 8,140 1,141 1,143 1,144 2,146 10,147 1,149 1,150 3,154 2,155 1,156 8,157 1,160 2,162 1,163 2,165 4,166 2,169 4,172 4,173 3,174 6.523}
{0 CHEMBL2172170,1 0.1,2 1.892,3 6.75,4 3.369,5 11.352,6 66.684,7 9.17,8 0.524,9 3.57,10 3.669,11 3.261,12 3.061,13 4.905,14 3.101,15 4.09,16 4.225,17 3.744,18 3.415,19 6.017,20 3.454,21 4.202,22 4.353,23 3.675,24 3.518,25 5.62,26 3.527,27 4.409,28 4.601,29 3.728,30 3.51,31 5.865,32 3.534,33 4.422,34 4.64,35 3.566,36 3.378,37 5.913,38 3.419,39 4.163,40 4.333,41 3.513,42 3.241,43 5.661,44 3.301,45 4.16,46 4.352,47 3.59,48 2.996,49 5.924,50 3.116,51 4.013,52 4.249,53 2.964,54 2.315,55 6.199,56 2.433,57 0.255,58 0.667,59 4.036,60 2.972,61 46.445,62 2.791,63 0.9,64 1.333,65 9.501,66 4.752,67 163.556,68 4.946,69 0.549,70 1.11,71 9.774,72 5.465,73 80.554,74 5.913,75 0.855,76 1.287,77 15.189,78 6.302,79 128.648,80 6.728,81 1.257,82 1.174,83 20.693,84 6.357,85 216.968,86 6.11,87 0.763,88 0.958,89 12.292,90 4.596,91 129.021,92 4.465,93 0.813,94 1.02,95 12.563,96 3.993,97 97.154,98 4.443,99 1.543,100 0.474,101 17.428,102 3.415,103 286.302,104 2.993,105 41,106 31,107 0.359,108 0.713,109 0.797,110 0.833,111 0.858,112 0.87,113 3.059,114 0.818,115 -4,116 -3.95,117 -3.74,118 41.9,119 1,120 1,123 1,125 4,126 3,129 1,130 1,132 1,136 1,137 1,138 8,140 1,141 1,143 1,144 2,146 10,147 1,149 1,150 3,154 2,155 1,156 8,157 1,160 2,162 1,163 2,165 4,166 2,169 4,172 4,173 3,174 5.886}
{0 CHEMBL2172171,1 0.076,2 1.948,3 8.905,4 4.547,5 20.674,6 68.284,7 9.383,8 0.5,9 3.615,10 3.704,11 3.323,12 3.056,13 4.963,14 3.12,15 4.14,16 4.259,17 3.817,18 3.395,19 6.144,20 3.45,21 4.186,22 4.33,23 3.6,24 3.493,25 5.512,26 3.491,27 4.362,28 4.555,29 3.636,30 3.491,31 5.73,32 3.489,33 4.358,34 4.568,35 3.558,36 3.365,37 5.826,38 3.395,39 4.187,40 4.371,41 3.321,42 3.181,43 5.651,44 3.212,45 3.967,46 4.188,47 3.06,48 2.905,49 5.277,50 2.905,51 3.773,52 3.998,53 2.891,54 2.442,55 5.266,56 2.56,57 0.324,58 0.662,59 3.924,60 3.026,61 49.202,62 2.697,63 1.204,64 1.195,65 10.061,66 4.626,67 169.172,68 4.83,69 0.63,70 0.919,71 9.229,72 5.188,73 75.062,74 5.66,75 0.842,76 1.053,77 14.229,78 5.888,79 96.768,80 6.913,81 1.139,82 1.057,83 18.093,84 5.949,85 174.24,86 6.394,87 0.982,88 0.785,89 13.499,90 4.469,91 139.885,92 4.218,93 0.659,94 0.532,95 11.958,96 3.674,97 93.425,98 4.679,99 0.807,100 0.468,101 12.189,102 2.899,103 126.052,104 2.908,105 42,106 32,107 0.367,108 0.74,109 0.804,110 0.828,111 0.828,112 0.828,113 3.102,114 0.802,115 -3.21,116 -3.2,117 -3.07,118 40.6,119 1,120 1,124 1,125 4,126 2,127 1,129 1,130 1,132 1,136 1,137 1,138 6,140 3,141 1,143 1,144 2,146 8,147 1,149 1,150 5,154 2,155 1,156 7,157 1,160 3,162 1,163 2,165 3,166 2,169 5,172 4,173 2,174 5.886}
{0 CHEMBL2172172,1 0.069,2 1.948,3 8.143,4 4.547,5 20.674,6 68.284,7 9.383,8 0.5,9 3.615,10 3.704,11 3.323,12 3.056,13 4.963,14 3.12,15 4.14,16 4.259,17 3.817,18 3.395,19 6.144,20 3.45,21 4.186,22 4.33,23 3.6,24 3.493,25 5.507,26 3.491,27 4.362,28 4.555,29 3.666,30 3.493,31 5.732,32 3.499,33 4.373,34 4.566,35 3.592,36 3.389,37 5.829,38 3.431,39 4.228,40 4.404,41 3.507,42 3.251,43 5.723,44 3.305,45 4.177,46 4.398,47 3.269,48 2.98,49 5.647,50 3.043,51 3.756,52 3.922,53 3.119,54 2.558,55 5.384,56 2.701,57 0.324,58 0.662,59 3.924,60 3.026,61 49.202,62 2.697,63 1.204,64 1.195,65 10.061,66 4.626,67 169.283,68 4.83,69 0.63,70 0.919,71 9.229,72 5.188,73 74.623,74 5.66,75 0.834,76 1.053,77 14.299,78 5.881,79 99.022,80 6.943,81 1.187,82 1.075,83 17.683,84 5.919,85 175.905,86 5.92,87 0.911,88 0.939,89 12.979,90 4.848,91 132.576,92 4.793,93 1.103,94 0.707,95 16.612,96 4.402,97 165.919,98 4.548,99 0.708,100 0.586,101 9.141,102 2.68,103 80.556,104 2.602,105 42,106 32,107 0.367,108 0.74,109 0.828,110 0.875,111 0.875,112 0.875,113 3.103,114 0.802,115 -3.21,116 -3.2,117 -3.07,118 40.6,119 1,120 1,124 1,125 4,126 2,127 1,129 1,130 1,132 1,136 1,137 1,138 6,140 3,141 1,143 1,144 2,146 8,147 1,149 1,150 5,154 2,155 1,156 6,157 1,160 4,162 1,163 2,165 3,166 2,169 5,172 4,173 3,174 6.155}
{0 CHEMBL2172174,1 0.077,2 1.654,3 7.278,4 2.306,5 5.317,6 66.448,7 8.32,8 0.579,9 3.475,10 3.579,11 3.113,12 3.045,13 4.804,14 3.046,15 3.916,16 4.058,17 3.439,18 3.394,19 5.267,20 3.374,21 4.101,22 4.262,23 3.449,24 3.487,25 5.392,26 3.437,27 4.239,28 4.46,29 3.376,30 3.441,31 5.46,32 3.376,33 4.12,34 4.326,35 3.256,36 3.307,37 5.397,38 3.257,39 4.02,40 4.216,41 3.135,42 3.172,43 5.378,44 3.136,45 3.859,46 4.086,47 2.956,48 2.926,49 5.182,50 2.891,51 3.485,52 3.714,53 2.554,54 2.408,55 5.102,56 2.387,57 0.088,58 0.424,59 4.642,60 2.424,61 13.471,62 2.73,63 0.184,64 0.636,65 8.281,66 3.919,67 38.039,68 4.881,69 0.22,70 0.746,71 10.333,72 4.658,73 30.879,74 5.835,75 0.319,76 0.808,77 14.37,78 5.105,79 50.576,80 6.806,81 0.288,82 0.676,83 13.331,84 4.813,85 59.797,86 5.97,87 0.301,88 0.622,89 11.654,90 3.84,91 55.651,92 4.481,93 0.232,94 0.508,95 10.864,96 3.512,97 43.408,98 4.506,99 0.184,100 0.35,101 7.348,102 2.243,103 32.171,104 2.842,105 21,106 26,107 0.314,108 0.729,109 0.826,110 0.878,111 0.878,112 0.878,113 2.96,114 0.849,115 -2.74,116 -2.75,117 -2.67,118 44.8,119 1,120 1,125 4,126 3,129 1,130 1,132 2,136 1,137 1,138 8,140 2,141 1,143 1,144 2,146 10,147 1,149 1,150 5,154 2,155 1,156 8,157 1,160 4,162 1,163 2,165 4,166 2,169 6,172 4,173 3,174 6.301}
{0 CHEMBL2172175,1 0.095,2 1.696,3 8.053,4 1.429,5 2.043,6 69.291,7 8.103,8 0.55,9 3.578,10 3.693,11 3.179,12 3.088,13 4.882,14 3.098,15 4.022,16 4.166,17 3.533,18 3.448,19 5.442,20 3.436,21 4.212,22 4.366,23 3.542,24 3.547,25 5.533,26 3.51,27 4.36,28 4.571,29 3.455,30 3.515,31 5.605,32 3.452,33 4.283,34 4.516,35 3.28,36 3.371,37 5.48,38 3.305,39 4.082,40 4.28,41 3.155,42 3.21,43 5.356,44 3.16,45 3.989,46 4.225,47 2.882,48 2.96,49 5.26,50 2.899,51 3.635,52 3.89,53 2.654,54 2.571,55 4.857,56 2.543,57 0.128,58 0.476,59 5.728,60 2.679,61 18.443,62 3.136,63 0.261,64 0.703,65 9.896,66 4.389,67 50.63,68 5.646,69 0.308,70 0.807,71 12.356,72 5.206,73 42.769,74 6.57,75 0.415,76 0.857,77 16.511,78 5.624,79 54.362,80 7.643,81 0.436,82 0.728,83 17.219,84 5.476,85 77.452,86 7.383,87 0.327,88 0.622,89 12.771,90 4.251,91 49.196,92 5.49,93 0.357,94 0.516,95 12.956,96 3.651,97 55.56,98 4.924,99 0.242,100 0.345,101 9.68,102 2.662,103 46.207,104 3.768,105 30,106 28,107 0.318,108 0.724,109 0.815,110 0.838,111 0.838,112 0.838,113 3.01,114 0.847,115 -2.37,116 -2.4,117 -2.36,118 40.6,119 1,120 1,125 4,126 3,129 1,130 1,132 2,133 1,134 1,135 1,136 1,137 1,138 8,140 2,141 1,142 1,143 2,144 3,146 10,147 1,148 1,149 1,150 5,154 4,155 1,156 8,157 1,158 2,160 4,162 1,163 4,165 4,166 2,167 2,169 5,172 5,173 3,174 5.959}
{0 CHEMBL2172176,1 0.087,2 1.696,3 7.368,4 1.429,5 2.043,6 69.291,7 8.103,8 0.55,9 3.578,10 3.693,11 3.179,12 3.088,13 4.882,14 3.098,15 4.022,16 4.166,17 3.533,18 3.448,19 5.443,20 3.436,21 4.212,22 4.366,23 3.542,24 3.547,25 5.531,26 3.51,27 4.36,28 4.571,29 3.481,30 3.527,31 5.59,32 3.469,33 4.287,34 4.502,35 3.371,36 3.417,37 5.524,38 3.364,39 4.195,40 4.396,41 3.219,42 3.282,43 5.506,44 3.238,45 4.048,46 4.291,47 3.096,48 3.054,49 5.28,50 3.015,51 3.741,52 3.94,53 2.943,54 2.647,55 5.312,56 2.67,57 0.128,58 0.476,59 5.728,60 2.679,61 18.443,62 3.136,63 0.261,64 0.703,65 9.896,66 4.389,67 50.741,68 5.646,69 0.308,70 0.807,71 12.356,72 5.206,73 42.269,74 6.57,75 0.418,76 0.86,77 16.581,78 5.627,79 58.212,80 7.644,81 0.396,82 0.754,83 16.444,84 5.538,85 69.841,86 7.33,87 0.433,88 0.684,89 14.721,90 4.477,91 69.559,92 5.674,93 0.318,94 0.564,95 13.804,96 4.075,97 53.046,98 5.746,99 0.307,100 0.411,101 9.258,102 2.598,103 38.386,104 3.443,105 30,106 28,107 0.318,108 0.724,109 0.838,110 0.885,111 0.885,112 0.885,113 3.01,114 0.847,115 -2.37,116 -2.4,117 -2.36,118 40.6,119 1,120 1,125 4,126 3,129 1,130 1,132 2,133 1,134 1,135 1,136 1,137 1,138 8,140 2,141 1,142 1,143 2,144 3,146 10,147 1,148 1,149 1,150 5,154 4,155 1,156 8,157 1,158 2,160 4,162 1,163 4,165 4,166 2,167 2,169 6,172 6,173 3,174 6.046}
{0 CHEMBL2172180,1 0.093,2 1.597,3 11,4 4.607,5 21.225,6 90.664,7 7.912,8 0.654,9 3.812,10 3.919,11 3.415,12 3.401,13 5.034,14 3.385,15 4.292,16 4.438,17 3.765,18 3.773,19 5.577,20 3.737,21 4.525,22 4.708,23 3.779,24 3.882,25 5.721,26 3.814,27 4.611,28 4.824,29 3.653,30 3.858,31 5.712,32 3.755,33 4.596,34 4.841,35 3.492,36 3.76,37 5.624,38 3.64,39 4.46,40 4.697,41 3.438,42 3.605,43 5.586,44 3.515,45 4.223,46 4.433,47 3.378,48 3.45,49 5.453,50 3.387,51 4.195,52 4.427,53 3.119,54 3.292,55 5.378,56 3.203,57 0.083,58 0.626,59 7.328,60 3.849,61 12.076,62 4.509,63 0.184,64 0.991,65 13.124,66 6.317,67 37.033,68 7.871,69 0.302,70 1.222,71 18.383,72 7.998,73 46.274,74 10.012,75 0.35,76 1.24,77 21.23,78 8.54,79 49.321,80 11.125,81 0.349,82 1.098,83 23.031,84 8.671,85 61.318,86 11.585,87 0.373,88 0.978,89 20.602,90 7.519,91 69.031,92 9.64,93 0.197,94 0.905,95 14.527,96 5.69,97 29.888,98 7.095,99 0.288,100 0.784,101 15.466,102 5.492,103 48.002,104 6.832,105 18,106 36,107 0.279,108 0.623,109 0.712,110 0.789,111 0.832,112 0.832,113 3.228,114 0.884,115 -4.97,116 -4.87,117 -4.57,118 46.3,119 1,120 2,125 8,126 4,127 1,129 1,130 1,132 1,136 1,137 1,138 14,140 1,141 1,143 1,144 2,146 19,147 1,149 1,150 3,154 2,155 1,156 19,157 1,160 2,162 1,163 2,165 15,166 2,169 3,172 3,173 11,174 6.046}
{0 CHEMBL2172181,1 0.086,2 1.597,3 10.25,4 4.607,5 21.225,6 90.664,7 7.912,8 0.654,9 3.812,10 3.919,11 3.415,12 3.401,13 5.034,14 3.385,15 4.292,16 4.438,17 3.765,18 3.773,19 5.577,20 3.737,21 4.525,22 4.708,23 3.779,24 3.882,25 5.719,26 3.814,27 4.611,28 4.825,29 3.675,30 3.866,31 5.706,32 3.767,33 4.599,34 4.832,35 3.553,36 3.804,37 5.636,38 3.692,39 4.526,40 4.753,41 3.515,42 3.708,43 5.645,44 3.612,45 4.374,46 4.603,47 3.456,48 3.58,49 5.523,50 3.498,51 4.289,52 4.526,53 3.338,54 3.413,55 5.461,56 3.344,57 0.083,58 0.626,59 7.328,60 3.849,61 12.076,62 4.509,63 0.184,64 0.991,65 13.124,66 6.317,67 37.05,68 7.871,69 0.302,70 1.222,71 18.383,72 7.998,73 46.105,74 10.012,75 0.354,76 1.241,77 21.285,78 8.54,79 50.118,80 11.128,81 0.336,82 1.118,83 22.469,84 8.698,85 59.632,86 11.478,87 0.368,88 1.056,89 21.351,90 8.116,91 68.49,92 10.365,93 0.229,94 1.019,95 17.526,96 6.819,97 36.008,98 8.81,99 0.273,100 0.876,101 17.032,102 6.15,103 49.324,104 7.861,105 18,106 36,107 0.279,108 0.623,109 0.735,110 0.837,111 0.866,112 0.866,113 3.228,114 0.884,115 -4.97,116 -4.87,117 -4.57,118 46.3,119 1,120 2,125 8,126 4,127 1,129 1,130 1,132 1,136 1,137 1,138 14,140 1,141 1,143 1,144 2,146 19,147 1,149 1,150 3,154 2,155 1,156 19,157 1,160 2,162 1,163 2,165 16,166 2,169 3,172 3,173 13,174 6.046}