"molecule_id","AAC","AECC","ALOGP","ALOGP2","AMR","AMW","ARR","ATS1e","ATS1i","ATS1m","ATS1p","ATS1s","ATS1v","ATS2e","ATS2i","ATS2m","ATS2p","ATS2s","ATS2v","ATS3e","ATS3i","ATS3m","ATS3p","ATS3s","ATS3v","ATS4e","ATS4i","ATS4m","ATS4p","ATS4s","ATS4v","ATS5e","ATS5i","ATS5m","ATS5p","ATS5s","ATS5v","ATS6e","ATS6i","ATS6m","ATS6p","ATS6s","ATS6v","ATS7e","ATS7i","ATS7m","ATS7p","ATS7s","ATS7v","ATS8e","ATS8i","ATS8m","ATS8p","ATS8s","ATS8v","ATSC1e","ATSC1i","ATSC1m","ATSC1p","ATSC1s","ATSC1v","ATSC2e","ATSC2i","ATSC2m","ATSC2p","ATSC2s","ATSC2v","ATSC3e","ATSC3i","ATSC3m","ATSC3p","ATSC3s","ATSC3v","ATSC4e","ATSC4i","ATSC4m","ATSC4p","ATSC4s","ATSC4v","ATSC5e","ATSC5i","ATSC5m","ATSC5p","ATSC5s","ATSC5v","ATSC6e","ATSC6i","ATSC6m","ATSC6p","ATSC6s","ATSC6v","ATSC7e","ATSC7i","ATSC7m","ATSC7p","ATSC7s","ATSC7v","ATSC8e","ATSC8i","ATSC8m","ATSC8p","ATSC8s","ATSC8v","BAC","BBI","BIC0","BIC1","BIC2","BIC3","BIC4","BIC5","BID","BLI","BLTA96","BLTD48","BLTF96","Br.094","C.","C.001","C.002","C.005","C.006","C.011","C.013","C.024","C.025","C.026","C.027","C.028","C.030","C.033","C.034","C.035","C.040","C.043","CATS2D_00_DD","CATS2D_00_DP","CATS2D_00_PP","CATS2D_01_AA","CATS2D_01_AN","CATS2D_01_DN","CATS2D_01_LL","CATS2D_01_NL","CATS2D_02_AA","CATS2D_02_AL","CATS2D_02_DA","CATS2D_02_DL","CATS2D_02_LL","CATS2D_02_NL","CATS2D_02_PL","CATS2D_03_AL","CATS2D_03_DA","CATS2D_03_DL","CATS2D_03_LL","CATS2D_03_NL","CATS2D_03_PL","CATS2D_04_AA","CATS2D_04_AL","CATS2D_04_DA","CATS2D_04_DL","CATS2D_04_LL","CATS2D_04_NL","CATS2D_04_PL","CATS2D_05_AA","CATS2D_05_AL","CATS2D_05_DA","CATS2D_05_DL","CATS2D_05_LL","CATS2D_06_AA","CATS2D_06_AL","CATS2D_06_DA","CATS2D_06_DD","CATS2D_06_DL","CATS2D_06_DN","CATS2D_06_DP","CATS2D_06_LL","CATS2D_06_NL","CATS2D_06_PL","CATS2D_07_AA","CATS2D_07_AL","CATS2D_07_DA","CATS2D_07_DD","CATS2D_07_DL","CATS2D_07_LL","CATS2D_07_NL","CATS2D_07_PL","CATS2D_08_AA","CATS2D_08_AL","CATS2D_08_DA","CATS2D_08_DL","CATS2D_08_LL","CATS2D_08_NL","CATS2D_08_PL","CATS2D_09_AA","CATS2D_09_AL","CATS2D_09_DL","CATS2D_09_LL","CATS2D_09_NL","CATS2D_09_PL","CENT","Chi0_AEA.bo.","Chi0_AEA.dm.","Chi0_AEA.ed.","Chi0_AEA.ri.","Chi0_EA","Chi0_EA.bo.","Chi0_EA.dm.","Chi0_EA.ed.","Chi0_EA.ri.","Chi1_AEA.bo.","Chi1_AEA.dm.","Chi1_AEA.ed.","Chi1_AEA.ri.","Chi1_EA","Chi1_EA.bo.","Chi1_EA.dm.","Chi1_EA.ed.","Chi1_EA.ri.","CIC0","CIC1","CIC2","CIC3","CIC4","CIC5","CID","Cl.089","CMC.50","CMC.80","CSI","DBI","D.Dtr05","D.Dtr06","D.Dtr10","DECC","DELS","pXC50"
{1 1.514,2 9.538,3 4.806,4 23.093,5 101.148,6 8.327,7 0.793,8 3.832,9 3.933,10 3.503,11 3.474,12 5.073,13 3.458,14 4.28,15 4.396,16 3.836,17 3.855,18 5.593,19 3.824,20 4.511,21 4.685,22 3.857,23 3.956,24 5.63,25 3.896,26 4.564,27 4.746,28 3.826,29 3.938,30 5.72,31 3.876,32 4.572,33 4.773,34 3.782,35 3.947,36 5.622,37 3.869,38 4.496,39 4.694,40 3.751,41 3.926,42 5.516,43 3.839,44 4.502,45 4.691,46 3.73,47 3.899,48 5.653,49 3.809,50 4.542,51 4.768,52 3.523,53 3.769,54 5.636,55 3.653,56 0.12,57 0.559,58 6.304,59 3.277,60 4.9,61 3.947,62 0.147,63 0.863,64 10.497,65 5.439,66 35.881,67 6.505,68 0.115,69 1.095,70 15.902,71 7.308,72 18.412,73 9.198,74 0.212,75 1.141,76 17.93,77 7.656,78 36.183,79 9.26,80 0.227,81 1.151,82 19.063,83 8.022,84 39.719,85 10.1,86 0.161,87 1.086,88 16.71,89 7.645,90 20.995,91 10.061,92 0.194,93 1.065,94 16.5,95 7.61,96 22.844,97 9.921,98 0.207,99 1.079,100 20.01,101 8.366,102 42.628,103 10.781,104 6,105 40,106 0.259,107 0.456,108 0.634,109 0.78,110 0.808,111 0.808,112 3.305,113 0.844,114 -5.11,115 -5.01,116 -4.69,118 51.2,125 12,126 4,127 1,128 2,132 2,139 2,142 14,144 1,145 4,147 4,148 16,151 7,153 5,154 14,158 6,160 6,161 14,165 3,167 1,168 19,170 2,171 2,176 20,180 6,181 2,184 15,188 8,191 6,195 11,197 2,200 966,201 17.913,202 17.913,203 17.913,204 17.913,205 17.913,206 14.978,207 4.953,208 10.751,209 18.092,210 14.348,211 14.348,212 14.348,213 14.348,214 14.348,215 10.061,216 5.143,217 5.127,218 14.619,219 3.844,220 2.691,221 1.653,222 0.799,223 0.634,224 0.634,225 4.004,228 1,229 540,230 2.55,231 70.765,232 253.272,234 1.497,235 19.942,236 8.215}
{0 CHEMBL314162,1 1.451,2 8.48,3 6.24,4 38.936,5 103.433,6 9.366,7 0.821,8 3.773,9 3.865,10 3.548,11 3.501,12 4.933,13 3.461,14 4.23,15 4.342,16 3.936,17 3.893,18 5.362,19 3.832,20 4.471,21 4.631,22 4.099,23 4.012,24 5.565,25 3.912,26 4.465,27 4.643,28 3.874,29 3.95,30 5.487,31 3.85,32 4.502,33 4.698,34 3.893,35 3.961,36 5.492,37 3.865,38 4.483,39 4.666,40 3.963,41 3.984,42 5.525,43 3.878,44 4.457,45 4.63,46 3.936,47 3.971,48 5.533,49 3.845,50 4.458,51 4.666,52 3.844,53 3.857,54 5.521,55 3.7,56 0.011,57 0.455,58 4.623,59 2.724,60 4.952,61 3.517,62 0.022,63 0.73,64 8.35,65 4.593,66 8.595,67 5.907,68 0.158,69 0.939,70 21.076,71 7.051,72 23.004,73 8.964,74 0.116,75 0.97,76 18.133,77 7.044,78 19.329,79 8.992,80 0.153,81 1.035,82 18.021,83 7.44,84 19.338,85 9.672,86 0.162,87 0.982,88 17.751,89 7.323,90 19.144,91 9.593,92 0.076,93 0.897,94 18.111,95 7.426,96 19.686,97 9.818,98 0.119,99 0.924,100 22.438,101 8.094,102 27.187,103 10.52,104 5,105 39,106 0.253,107 0.464,108 0.655,109 0.816,110 0.849,111 0.849,112 3.268,113 0.924,114 -6.15,115 -5.99,116 -5.57,118 53.8,125 11,126 4,127 2,128 2,132 2,142 13,145 2,147 4,148 16,151 1,153 5,154 18,158 1,160 5,161 15,165 1,167 2,168 18,170 1,171 1,173 1,176 19,180 3,184 17,188 3,191 11,195 3,197 5,200 936,201 17.206,202 17.206,203 17.206,204 17.206,205 17.206,206 14.47,207 2.167,208 10.285,209 17.562,210 13.848,211 13.848,212 13.848,213 13.848,214 13.848,215 9.877,216 0.907,217 4.927,218 14.556,219 3.834,220 2.619,221 1.527,222 0.603,223 0.41,224 0.41,225 3.967,226 2,229 463,230 2,231 65.41,232 235.99,234 1.261,235 13.255,236 7.523}
{0 CHEMBL314219,1 1.366,2 8.417,3 5.117,4 26.18,5 94.04,6 8.061,7 0.852,8 3.77,9 3.875,10 3.418,11 3.446,12 4.953,13 3.42,14 4.226,15 4.354,16 3.755,17 3.818,18 5.395,19 3.775,20 4.464,21 4.65,22 3.759,23 3.904,24 5.556,25 3.83,26 4.46,27 4.657,28 3.703,29 3.877,30 5.493,31 3.795,32 4.493,33 4.703,34 3.719,35 3.909,36 5.461,37 3.82,38 4.473,39 4.677,40 3.709,41 3.898,42 5.52,43 3.804,44 4.451,45 4.649,46 3.642,47 3.85,48 5.561,49 3.752,50 4.445,51 4.685,52 3.42,53 3.692,54 5.515,55 3.562,56 0.014,57 0.556,58 6.323,59 3.244,60 5.203,61 4.005,62 0.027,63 0.894,64 10.698,65 5.3,66 10.658,67 6.577,68 0.113,69 1.162,70 16.445,71 7.34,72 25.676,73 9.23,74 0.124,75 1.138,76 16.728,77 7.258,78 24.446,79 9.262,80 0.106,81 1.119,82 17.631,83 7.574,84 18.047,85 10.11,86 0.182,87 1.141,88 17.092,89 7.568,90 21.426,91 10.101,92 0.076,93 1.12,94 16.663,95 7.739,96 22.591,97 9.996,98 0.105,99 1.12,100 18.405,101 7.927,102 29.051,103 10.457,104 2,105 37,106 0.238,107 0.437,108 0.627,109 0.783,110 0.813,111 0.813,112 3.23,113 0.862,114 -5.56,115 -5.43,116 -5.07,118 53.8,125 12,126 4,127 1,128 2,132 2,142 14,145 2,147 4,148 16,151 1,153 5,154 14,158 1,160 6,161 14,165 1,167 1,168 19,170 1,171 1,176 19,180 3,184 14,188 4,191 8,195 2,197 2,200 830,201 16.706,202 16.706,203 16.706,204 16.706,205 16.706,206 14.023,207 1.628,208 10.116,209 16.891,210 13.38,211 13.38,212 13.38,213 13.38,214 13.38,215 9.49,216 0.662,217 4.868,218 13.697,219 3.919,220 2.778,221 1.687,222 0.789,223 0.615,224 0.615,225 3.931,228 1,229 444,230 1.871,231 62.41,232 225.172,234 1.25,235 15.29,236 7.921}
{0 CHEMBL314238,1 1.582,2 9.16,3 5.118,4 26.197,5 96.268,6 9.206,7 0.821,8 3.763,9 3.861,10 3.516,11 3.438,12 4.987,13 3.423,14 4.217,15 4.337,16 3.891,17 3.809,18 5.459,19 3.78,20 4.444,21 4.615,22 3.904,23 3.883,24 5.632,25 3.827,26 4.424,27 4.613,28 3.797,29 3.805,30 5.558,31 3.753,32 4.407,33 4.611,34 3.792,35 3.821,36 5.471,37 3.767,38 4.379,39 4.551,40 3.857,41 3.857,42 5.541,43 3.791,44 4.422,45 4.597,46 3.791,47 3.874,48 5.62,49 3.781,50 4.436,51 4.666,52 3.588,53 3.731,54 5.514,55 3.603,56 0.041,57 0.571,58 4.537,59 2.857,60 5.152,61 3.276,62 0.096,63 0.918,64 8.097,65 4.707,66 10.434,67 5.431,68 0.221,69 1.145,70 16.331,71 6.765,72 31.068,73 7.806,74 0.265,75 1.136,76 16.381,77 6.254,78 32.816,79 7.043,80 0.238,81 1.091,82 14.409,83 6.012,84 24.955,85 7.243,86 0.274,87 1.051,88 13.217,89 6.131,90 23.674,91 7.653,92 0.211,93 1.104,94 14.859,95 7.106,96 29.195,97 8.794,98 0.164,99 1.066,100 17.527,101 7.851,102 23.668,103 10.297,104 5,105 39,106 0.277,107 0.527,108 0.683,109 0.789,110 0.808,111 0.808,112 3.268,113 0.869,114 -5.8,115 -5.66,116 -5.27,118 52.6,125 10,126 3,127 2,128 2,129 1,132 1,135 1,142 10,145 4,146 1,147 2,148 11,151 6,153 5,154 7,158 4,160 6,161 7,164 1,165 2,168 14,170 2,171 1,173 1,176 18,180 3,184 12,188 4,191 6,195 2,197 4,200 925,201 17.154,202 17.154,203 17.154,204 17.154,205 17.154,206 14.445,207 3.229,208 10.202,209 17.525,210 13.846,211 13.846,212 13.846,213 13.846,214 13.846,215 9.895,216 1.303,217 4.905,218 14.534,219 3.666,220 2.237,221 1.348,222 0.737,223 0.632,224 0.632,225 3.967,226 1,228 1,229 501,230 2,231 66.493,232 238.298,234 1.299,235 21.633,236 7.097}
{0 CHEMBL314731,1 1.366,2 8.042,3 5.576,4 31.086,5 98.628,6 8.483,7 0.852,8 3.765,9 3.867,10 3.462,11 3.475,12 4.906,13 3.434,14 4.22,15 4.344,16 3.817,17 3.858,18 5.322,19 3.796,20 4.455,21 4.633,22 3.826,23 3.954,24 5.455,25 3.854,26 4.454,27 4.645,28 3.802,29 3.921,30 5.441,31 3.823,32 4.498,33 4.699,34 3.832,35 3.944,36 5.476,37 3.847,38 4.475,39 4.667,40 3.837,41 3.957,42 5.481,43 3.848,44 4.442,45 4.633,46 3.747,47 3.914,48 5.461,49 3.785,50 4.444,51 4.668,52 3.635,53 3.794,54 5.449,55 3.631,56 0.022,57 0.466,58 5.942,59 2.977,60 5.83,61 3.91,62 0.041,63 0.749,64 10.32,65 4.945,66 9.791,67 6.499,68 0.101,69 0.964,70 18.056,71 7.203,72 16.76,73 9.518,74 0.101,75 0.991,76 17.5,77 7.152,78 16.498,79 9.476,80 0.16,81 1.042,82 19.176,83 7.544,84 18.629,85 10.022,86 0.136,87 1.001,88 18.628,89 7.505,90 17.293,91 9.993,92 0.075,93 0.923,94 17.953,95 7.598,96 18.701,97 10.284,98 0.113,99 0.946,100 21.59,101 8.087,102 26.205,103 10.813,104 2,105 37,106 0.238,107 0.437,108 0.636,109 0.798,110 0.837,111 0.849,112 3.23,113 0.904,114 -5.66,115 -5.53,116 -5.16,118 53.8,125 12,126 4,127 1,128 2,132 2,142 14,145 2,147 4,148 18,151 1,153 5,154 16,158 1,160 5,161 14,165 1,167 3,168 19,170 1,171 1,176 20,180 3,184 18,188 3,191 10,195 4,197 5,200 820,201 16.706,202 16.706,203 16.706,204 16.706,205 16.706,206 14.023,207 1.601,208 10.152,209 16.965,210 13.397,211 13.397,212 13.397,213 13.397,214 13.397,215 9.496,216 0.641,217 4.888,218 13.856,219 3.919,220 2.778,221 1.635,222 0.705,223 0.481,224 0.41,225 3.931,226 1,228 1,229 424,230 1.871,231 61.326,232 223.672,234 1.132,235 9.724,236 7.538}
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{0 CHEMBL91459,1 1.555,2 9.16,3 5.791,4 33.537,5 96.599,6 9.205,7 0.821,8 3.76,9 3.837,10 3.515,11 3.455,12 4.983,13 3.437,14 4.217,15 4.316,16 3.891,17 3.824,18 5.457,19 3.797,20 4.446,21 4.595,22 3.904,23 3.902,24 5.634,25 3.848,26 4.425,27 4.573,28 3.797,29 3.839,30 5.558,31 3.785,32 4.408,33 4.567,34 3.791,35 3.845,36 5.465,37 3.791,38 4.384,39 4.535,40 3.863,41 3.867,42 5.582,43 3.8,44 4.401,45 4.569,46 3.782,47 3.877,48 5.555,49 3.782,50 4.452,51 4.683,52 3.592,53 3.734,54 5.545,55 3.608,56 0.033,57 0.483,58 4.423,59 2.986,60 4.719,61 3.426,62 0.08,63 0.787,64 8.069,65 4.898,66 9.934,67 5.495,68 0.237,69 1.025,70 16.444,71 7.146,72 31.501,73 8.01,74 0.277,75 0.958,76 16.378,77 7.106,78 32.816,79 7.732,80 0.236,81 0.907,82 14.378,83 6.927,84 24.023,85 7.963,86 0.394,87 0.931,88 13.491,89 6.518,90 31.548,91 7.793,92 0.112,93 0.981,94 14.054,95 6.976,96 16.936,97 8.796,98 0.196,99 1.108,100 18.084,101 8.003,102 28.985,103 10.31,104 5,105 39,106 0.272,107 0.466,108 0.651,109 0.789,110 0.808,111 0.808,112 3.268,113 0.873,114 -6.04,115 -5.89,116 -5.48,118 55.3,125 11,126 4,127 2,128 2,132 2,142 12,145 6,148 16,151 6,154 15,158 7,161 15,165 1,168 18,169 1,170 2,176 19,180 3,184 13,188 4,191 6,195 2,197 4,200 925,201 17.154,202 17.154,203 17.154,204 17.154,205 17.154,206 14.445,207 3.229,208 10.202,209 17.426,210 13.846,211 13.846,212 13.846,213 13.846,214 13.846,215 9.895,216 1.303,217 4.905,218 14.348,219 3.693,220 2.583,221 1.528,222 0.737,223 0.632,224 0.632,225 3.967,226 1,229 501,230 2,231 66.493,232 238.298,234 1.299,235 21.681,236 6.201}
{0 CHEMBL91540,1 1.445,2 8.417,3 4.917,4 24.177,5 92.521,6 8.299,7 0.852,8 3.755,9 3.862,10 3.427,11 3.41,12 4.965,13 3.395,14 4.208,15 4.339,16 3.763,17 3.776,18 5.413,19 3.746,20 4.426,21 4.609,22 3.764,23 3.854,24 5.552,25 3.795,26 4.426,27 4.624,28 3.711,29 3.823,30 5.498,31 3.757,32 4.445,33 4.651,34 3.724,35 3.856,36 5.456,37 3.783,38 4.441,39 4.646,40 3.719,41 3.834,42 5.533,43 3.759,44 4.397,45 4.595,46 3.647,47 3.773,48 5.56,49 3.7,50 4.376,51 4.608,52 3.425,53 3.628,54 5.524,55 3.516,56 0.017,57 0.585,58 5.792,59 3.062,60 5.154,61 3.645,62 0.065,63 0.937,64 9.936,65 4.948,66 12.134,67 5.933,68 0.125,69 1.159,70 15.161,71 6.799,72 25.874,73 8.345,74 0.18,75 1.145,76 15.728,77 6.625,78 27.063,79 8.23,80 0.115,81 1.101,82 16.137,83 6.911,84 18.714,85 9.05,86 0.206,87 1.15,88 16.165,89 6.856,90 23.788,91 8.945,92 0.12,93 1.121,94 15.301,95 6.743,96 24.813,97 8.388,98 0.195,99 1.099,100 16.57,101 6.929,102 33.883,103 8.991,104 2,105 37,106 0.253,107 0.481,108 0.666,109 0.814,110 0.845,111 0.845,112 3.23,113 0.847,114 -5.58,115 -5.45,116 -5.09,118 52.6,125 11,126 3,127 1,128 1,129 1,130 1,132 2,142 11,144 1,145 3,147 4,148 13,151 1,153 4,154 12,158 2,159 1,160 5,161 10,165 4,167 1,168 12,170 5,171 1,176 13,180 5,184 11,188 5,191 7,195 2,197 2,200 830,201 16.706,202 16.706,203 16.706,204 16.706,205 16.706,206 14.023,207 1.628,208 10.116,209 16.957,210 13.38,211 13.38,212 13.38,213 13.38,214 13.38,215 9.49,216 0.662,217 4.868,218 13.802,219 3.803,220 2.498,221 1.442,222 0.599,223 0.421,224 0.421,225 3.931,228 1,229 444,230 1.871,231 62.41,232 225.172,234 1.25,235 17.411,236 6.149}
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{0 CHEMBL91730,1 1.714,2 9.077,3 5.098,4 25.992,5 98.132,6 9.38,7 0.793,8 3.801,9 3.891,10 3.56,11 3.443,12 5.071,13 3.439,14 4.245,15 4.356,16 3.946,17 3.814,18 5.525,19 3.802,20 4.487,21 4.646,22 4.005,23 3.903,24 5.762,25 3.875,26 4.486,27 4.654,28 3.931,29 3.857,30 5.724,31 3.834,32 4.504,33 4.666,34 3.972,35 3.869,36 5.773,37 3.863,38 4.529,39 4.682,40 3.968,41 3.924,42 5.787,43 3.886,44 4.552,45 4.729,46 3.956,47 3.924,48 5.933,49 3.84,50 4.499,51 4.736,52 3.601,53 3.757,54 5.58,55 3.625,56 0.103,57 0.597,58 4.517,59 3.059,60 8.851,61 3.258,62 0.171,63 0.945,64 7.726,65 4.815,66 9.489,67 5.251,68 0.364,69 1.183,70 16.392,71 6.825,72 37.936,73 7.405,74 0.346,75 1.168,76 16.332,77 6.639,78 36.287,79 7.107,80 0.408,81 1.138,82 14.407,83 6.303,84 37.776,85 6.435,86 0.405,87 1.147,88 14.671,89 7.035,90 45.168,91 7.337,92 0.587,93 1.234,94 17.387,95 8.153,96 68.644,97 9.919,98 0.313,99 1.144,100 20.611,101 8.491,102 33.336,103 10.939,104 10,105 41,106 0.298,107 0.55,108 0.71,109 0.813,110 0.813,111 0.813,112 3.305,113 0.854,114 -5.4,115 -5.28,116 -4.93,118 51.3,125 10,126 3,127 3,128 2,129 1,133 1,139 1,142 9,145 7,146 1,147 1,148 12,151 10,152 1,153 1,154 11,158 8,160 5,161 6,164 1,165 6,167 6,168 12,169 1,170 2,176 16,180 2,181 1,183 1,184 13,188 4,191 6,195 2,197 4,200 1016,201 17.706,202 17.706,203 17.706,204 17.706,205 17.706,206 14.917,207 9.941,208 10.437,209 18.107,210 14.309,211 14.309,212 14.309,213 14.309,214 14.309,215 10.268,216 6.173,217 4.985,218 15.047,219 3.572,220 2.128,221 1.211,222 0.615,223 0.615,224 0.615,225 4.002,226 1,228 1,229 514,230 2.121,231 69.793,232 248.094,234 1.32,235 29.285,236 7.456}
{0 CHEMBL91934,1 1.581,2 10.107,3 4.829,4 23.321,5 112.91,6 8.309,7 0.742,8 3.946,9 4.042,10 3.708,11 3.636,12 5.094,13 3.579,14 4.427,15 4.563,16 3.998,17 4.005,18 5.585,19 3.938,20 4.653,21 4.815,22 4.029,23 4.111,24 5.826,25 4.03,26 4.701,27 4.885,28 3.943,29 4.111,30 5.788,31 4.012,32 4.751,33 4.974,34 3.902,35 4.111,36 5.709,37 4,38 4.672,39 4.883,40 3.961,41 4.085,42 5.682,43 3.978,44 4.662,45 4.846,46 3.965,47 4.087,48 5.798,49 3.98,50 4.719,51 4.939,52 3.827,53 4.013,54 5.813,55 3.886,56 0.037,57 0.681,58 9.19,59 4.51,60 8.668,61 5.193,62 0.051,63 1.11,64 17.487,65 7.818,66 16.008,67 9.106,68 0.204,69 1.403,70 21.803,71 9.288,72 43.078,73 10.622,74 0.18,75 1.419,76 23.072,77 9.951,78 38.655,79 12.095,80 0.181,81 1.414,82 24.34,83 10.406,84 34.526,85 13.788,86 0.205,87 1.383,88 22.538,89 9.805,90 27.813,91 13.092,92 0.169,93 1.409,94 22.666,95 9.929,96 30.889,97 12.098,98 0.183,99 1.446,100 24.266,101 10.399,102 42.065,103 13.062,104 18,105 44,106 0.265,107 0.551,108 0.712,109 0.826,110 0.84,111 0.84,112 3.375,113 1.009,114 -5.35,115 -5.23,116 -4.89,118 48.9,119 1,121 1,125 11,126 4,127 2,128 1,129 1,132 2,142 12,145 3,147 4,148 15,151 3,153 5,154 14,158 3,160 6,161 16,165 2,168 19,170 1,171 1,173 1,176 19,180 4,181 1,184 15,188 5,191 8,195 4,197 2,200 1250,201 18.809,202 18.809,203 18.809,204 18.809,205 18.809,206 15.983,207 6.794,208 10.96,209 19.275,210 15.297,211 15.297,212 15.297,213 15.297,214 15.297,215 11.069,216 3.968,217 5.221,218 16.037,219 3.973,220 2.268,221 1.31,222 0.628,223 0.543,224 0.543,225 4.07,228 1,229 610,230 2.739,231 77.848,232 276.408,234 1.48,235 24.879,236 8.222}
{0 CHEMBL92440,1 1.451,2 8.44,3 5.322,4 28.325,5 94.256,6 8.522,7 0.821,8 3.782,9 3.882,10 3.466,11 3.444,12 5.022,13 3.432,14 4.241,15 4.362,16 3.822,17 3.815,18 5.496,19 3.793,20 4.487,21 4.664,22 3.861,23 3.899,24 5.697,25 3.857,26 4.493,27 4.677,28 3.867,29 3.873,30 5.849,31 3.826,32 4.52,33 4.72,34 3.828,35 3.904,36 5.65,37 3.849,38 4.496,39 4.69,40 3.816,41 3.894,42 5.68,43 3.831,44 4.485,45 4.669,46 3.793,47 3.844,48 5.788,49 3.792,50 4.486,51 4.71,52 3.578,53 3.685,54 5.781,55 3.603,56 0.038,57 0.639,58 5.54,59 3.281,60 5.607,61 3.728,62 0.071,63 1.031,64 9.549,65 5.361,66 10.243,67 6.119,68 0.217,69 1.341,70 15.833,71 7.428,72 37.757,73 8.557,74 0.447,75 1.472,76 16.477,77 7.356,78 69.649,79 8.671,80 0.235,81 1.318,82 17.485,83 7.676,84 35.741,85 9.299,86 0.263,87 1.309,88 16.682,89 7.654,90 32.81,91 9.453,92 0.209,93 1.369,94 16.417,95 7.865,96 36.247,97 9.084,98 0.349,99 1.381,100 18.884,101 8.052,102 53.746,103 9.508,104 5,105 39,106 0.253,107 0.464,108 0.672,109 0.825,110 0.849,111 0.849,112 3.268,113 0.843,114 -5.93,115 -5.79,116 -5.39,118 53.8,125 11,126 4,127 2,128 2,132 2,142 12,145 2,147 4,148 15,151 1,153 4,154 12,158 1,160 6,161 12,165 1,167 1,168 16,170 1,171 1,176 17,180 2,184 12,188 4,191 7,195 2,197 2,200 929,201 17.206,202 17.206,203 17.206,204 17.206,205 17.206,206 14.47,207 3.255,208 10.322,209 17.442,210 13.864,211 13.864,212 13.864,213 13.864,214 13.864,215 9.886,216 1.987,217 4.952,218 14.281,219 3.834,220 2.619,221 1.425,222 0.552,223 0.41,224 0.41,225 3.967,228 1,229 461,230 2,231 64.565,232 234.699,234 1.222,235 26.987,236 7.538}
{0 CHEMBL92498,1 1.482,2 9.923,3 5.1,4 26.012,5 100.503,6 8.01,7 0.793,8 3.869,9 3.97,10 3.507,11 3.498,12 5.057,13 3.482,14 4.339,15 4.472,16 3.841,17 3.863,18 5.502,19 3.835,20 4.534,21 4.703,22 3.868,23 3.969,24 5.654,25 3.912,26 4.576,27 4.762,28 3.8,29 3.979,30 5.619,31 3.897,32 4.64,33 4.866,34 3.788,35 4.004,36 5.573,37 3.903,38 4.581,39 4.794,40 3.802,41 3.96,42 5.611,43 3.868,44 4.523,45 4.704,46 3.768,47 3.912,48 5.657,49 3.835,50 4.564,51 4.796,52 3.577,53 3.804,54 5.628,55 3.69,56 0.017,57 0.621,58 7.252,59 3.777,60 6.061,61 4.503,62 0.1,63 0.99,64 13.192,65 6.173,66 16.436,67 7.297,68 0.158,69 1.235,70 17.51,71 7.844,72 27.786,73 9.47,74 0.171,75 1.259,76 18.724,77 8.221,78 27.732,79 10.276,80 0.143,81 1.28,82 21.436,83 9.123,84 22.996,85 12.378,86 0.252,87 1.248,88 19.98,89 8.682,90 25.838,91 11.682,92 0.12,93 1.2,94 17.767,95 8.176,96 24.707,97 10.102,98 0.149,99 1.25,100 20.568,101 8.592,102 31.704,103 11.202,104 6,105 40,106 0.254,107 0.519,108 0.678,109 0.798,110 0.814,111 0.814,112 3.305,113 0.857,114 -5.2,115 -5.1,116 -4.77,118 51.2,121 1,125 11,126 4,127 2,128 2,132 2,142 12,145 4,147 4,148 14,151 3,153 5,154 13,158 2,160 6,161 14,165 1,168 18,170 2,171 2,176 18,180 4,184 12,188 6,191 4,195 6,200 1030,201 18.024,202 18.024,203 18.024,204 18.024,205 18.024,206 15.368,207 5.941,208 10.7,209 18.388,210 14.274,211 14.274,212 14.274,213 14.274,214 14.274,215 10.318,216 5.313,217 5.044,218 14.782,219 3.944,220 2.393,221 1.461,222 0.762,223 0.669,224 0.669,225 4.005,228 1,229 562,230 2.236,231 70.671,232 251.944,234 1.402,235 18.551,236 7.222}