"molecule_id","ATSC1e","ATSC6m","ATSC7m","CATS2D_07_NL","Eig10_AEA.bo.","Eig10_AEA.ri.","Eig10_EA","Eig10_EA.bo.","Eig10_EA.ed.","Eig10_EA.ri.","Eig15_AEA.bo.","GATS6e","GATS6s","GATS8v","JGI4","JGI9","MATS5m","MATS5s","MATS6e","MATS6m","MATS6s","MATS6v","MATS8i","MATS8v","P_VSA_i_3","S3K","SM04_AEA.dm.","SM05_AEA.ri.","SpMax6_Bh.e.","SpMax6_Bh.i.","SpMax7_Bh.m.","SpMin5_Bh.m.","SpMin5_Bh.s.","SpMin6_Bh.m.","SpMin6_Bh.p.","SpMin6_Bh.s.","SpMin6_Bh.v.","Uindex","Xindex","SpMax5_Bh.i.","SpMax5_Bh.p.","SpMin5_Bh.e.","SpMin5_Bh.i.","SpMin5_Bh.p.","SpMin5_Bh.v.","SpMin7_Bh.v.","Eig01_AEA.ri.","Eig01_EA.ed.","Eig01_EA.ri.","Eig15_AEA.dm.","GATS8m","IDE","MATS8e","MATS8s","PHI","RDCHI","SM10_AEA.dm.","SM11_EA.ed.","SM12_EA.ed.","SM13_EA.ed.","SM14_EA.ed.","SM15_EA.ed.","SpDiam_EA.ed.","SpDiam_EA.ri.","SpMax_AEA.ri.","SpMax_EA.ed.","SpMax_EA.ri.","CATS2D_09_DL","HVcpx","ICR","SpMin6_Bh.e.","SpMax5_Bh.v.","Eig14_EA.bo.","GMTIV","MDDD","Eig13_AEA.dm.","Eig14_AEA.ri.","Eig14_EA","Eig14_EA.ri.","SM08_AEA.dm.","SsOH","X3v","AAC","ALOGP","ALOGP2","ATS6i","CATS2D_09_AL","Eig07_AEA.bo.","Eig07_AEA.dm.","Eig07_AEA.ri.","Eig07_EA","Eig07_EA.bo.","Eig07_EA.ed.","Eig07_EA.ri.","Eta_alpha_A","Eta_C_A","Eta_FL_A","GATS5e","IC0","MATS4s","MATS7m","Me","MSD","N.","PCR","RBN","SM02_AEA.ri.","SM15_AEA.bo.","SpMax4_Bh.m.","SpMax6_Bh.m.","ARR","ATS4i","ATS6s","ATS7e","ATS7i","ATS7s","ATSC1s","ATSC4m","BIC0","BIC1","C.","CATS2D_08_LL","CIC1","DBI","Eta_beta_A","Eta_betaP_A","Eta_L_A","GATS2s","GATS8e","JGI3","JGI5","LLS_01","MATS2s","Mi","nCsp3","SIC0","SIC1","SpMin8_Bh.m.","TIE","Vindex","X3A","Yindex","BLTA96","BLTD48","BLTF96","CATS2D_06_DL","IC2","MLOGP","MLOGP2","SIC2","SpMaxA_EA.dm.","ATSC5m","ATSC8s","CATS2D_04_LL","CATS2D_05_AA","CATS2D_06_DA","CATS2D_07_AP","CATS2D_07_DA","CATS2D_08_DL","Eig01_AEA.ed.","Eig01_EA","Eig02_AEA.ri.","Eig02_EA","Eig02_EA.ri.","GATS4p","GATS4v","JGI7","MATS4v","MATS7s","PW4","SM02_EA.dm.","SM03_EA.ed.","SM04_EA.dm.","SM05_EA.ed.","SM05_EA.ri.","SM06_EA.ed.","SM06_EA.ri.","SM07_EA","SM07_EA.ed.","SM07_EA.ri.","SM08_EA","SM08_EA.ed.","SM08_EA.ri.","SM09_AEA.bo.","SM09_EA","SM09_EA.ed.","SM09_EA.ri.","SM10_AEA.bo.","SM10_AEA.ed.","SM10_EA","SM10_EA.ed.","SM10_EA.ri.","SM11_AEA.ed.","SM11_EA","SM11_EA.ri.","SM12_AEA.ed.","SM12_EA","SM12_EA.ri.","SM13_AEA.ed.","SM13_EA","SM13_EA.ri.","SM14_AEA.ed.","SM14_EA","SM14_EA.ri.","SM15_AEA.ed.","SM15_EA","SM15_EA.ri.","SpAD_EA.dm.","SpDiam_AEA.ri.","SpDiam_EA","SpMAD_EA.dm.","SpMax_AEA.ed.","SpMax_EA","MATS4e","PW5","GATS6m","SaaCH","SpMax6_Bh.p.","SpMax6_Bh.v.","SpMin6_Bh.i.","AECC","AMR","AMW","ATS1e","ATS1i","ATS1m","ATS1p","ATS1s","ATS1v","pXC50"
{1 0.07,2 47.724,3 51.722,5 2.5,6 2,7 1,8 1.5,9 2.338,10 1,11 1.124,12 1.03,13 0.998,14 1.054,15 0.049,16 0.011,17 -0.1,18 0.086,19 -0.087,20 -0.091,21 -0.06,22 -0.099,23 -0.074,24 -0.062,25 403.423,26 5.096,27 1,28 2.338,29 3.337,30 3.403,31 3.132,32 1.736,33 0.98,34 1.652,35 1.621,36 0.808,37 1.636,38 57.548,39 0.382,40 3.501,41 3.256,42 1.543,43 1.48,44 1.754,45 1.77,46 1.489,47 4.282,48 11.905,49 3.261,50 0.222,51 0.996,52 3.423,53 0.027,54 0.02,55 7.377,56 3.88,57 11.905,58 27.468,59 29.931,60 32.371,61 34.832,62 37.286,63 19.428,64 5.261,65 4.282,66 11.905,67 3.261,68 4,69 3.239,70 2.677,71 1.373,72 3.255,73 0.395,74 23676,75 28.581,76 1,77 1.341,78 0.336,79 0.335,80 0.336,82 6.067,83 1.421,84 2.736,85 7.485,86 5.574,87 8,88 3.121,89 2.416,90 2.992,91 1.996,92 2.227,93 5.17,94 1.986,95 0.476,96 1.159,97 0.202,98 1.148,99 1.421,100 -0.04,101 -0.054,102 0.989,103 6.134,104 6.2,105 1.32,106 7,107 5.17,108 1.996,109 3.49,110 3.209,111 0.364,112 5.435,113 6.3,114 5.407,115 5.678,116 6.34,117 12.974,118 41.939,119 0.228,120 0.559,121 38.5,122 11,123 2.538,124 4.062,125 1.089,126 0.484,127 0.272,128 0.49,129 0.848,130 0.051,131 0.026,132 0.17,133 0.111,134 1.133,135 12,136 0.236,137 0.579,138 1.483,139 83.879,140 0.253,141 0.173,142 0.741,143 -3.32,144 -3.31,145 -3.17,146 6,147 4.991,148 2.095,149 4.387,150 0.829,151 0.062,152 44.967,153 79.906,154 18,155 3,157 2,158 2,159 4,160 6.987,161 3.291,162 4.029,163 3.064,164 2.952,165 1.025,166 0.974,167 0.017,168 0.037,169 -0.014,170 0.195,171 2.736,172 7.837,173 3.75,174 12.823,175 6.637,176 15.497,177 8.033,178 8.999,179 17.702,180 8.887,181 10.243,182 20.227,183 10.114,184 3.291,185 11.276,186 22.579,187 11.13,188 3.064,189 20.174,190 12.461,191 25.055,192 12.299,193 22.052,194 13.568,195 13.391,196 23.94,197 14.736,198 14.545,199 25.834,200 15.876,201 15.673,202 27.733,203 17.042,204 16.828,205 29.638,206 18.2,207 17.974,208 10.483,209 5.324,210 5.291,211 0.318,212 6.987,213 3.291,214 -0.016,215 0.111,216 1.074,217 8.308,218 3.09,219 3.101,220 1.3,221 9.548,222 123.702,223 6.502,224 4.225,225 4.368,226 3.657,227 3.753,228 5.261,229 3.7,230 4}
{0 CHEMBL1672113,1 0.046,2 38.543,3 42.957,5 2.51,6 2.16,7 1.191,8 1.51,9 3.056,10 1.152,11 1.372,12 0.788,13 0.75,14 1.131,15 0.046,16 0.011,17 -0.031,18 0.124,19 -0.053,20 -0.139,21 -0.039,22 -0.187,23 -0.137,24 -0.127,25 344.567,26 4.285,27 1.191,28 3.056,29 3.193,30 3.281,31 3.029,32 1.694,33 0.84,34 1.524,35 1.422,36 0.626,37 1.458,38 48.887,39 0.329,40 3.562,41 3.359,42 1.483,43 1.429,44 1.681,45 1.692,46 1.389,47 4.299,48 11.984,49 3.275,50 0.58,51 1,52 3.419,53 0.088,54 0.062,55 5.972,56 3.953,57 11.984,58 27.472,59 29.943,60 32.393,61 34.864,62 37.328,63 19.527,64 5.275,65 4.299,66 11.984,67 3.275,68 2,69 3.242,70 2.677,71 1.205,72 3.354,73 0.254,74 26740,75 29.538,76 1,77 1.215,78 0.198,79 0.197,80 0.198,82 5.652,83 1.464,84 3.283,85 10.779,86 5.385,87 8,88 3.317,89 2.369,90 2.997,91 2.001,92 2.509,93 5.35,94 1.991,95 0.476,96 0.968,97 0.241,98 0.757,99 1.464,100 -0.02,101 -0.034,102 0.994,103 6.067,104 6.8,105 1.431,106 5,107 5.35,108 2.001,109 3.555,110 3.12,111 0.5,112 5.3,113 6.165,114 5.232,115 5.492,116 6.175,117 9.687,118 35.786,119 0.237,120 0.585,121 42.4,122 8,123 2.269,124 3.24,125 1.258,126 0.629,127 0.238,128 0.559,129 0.648,130 0.045,131 0.024,132 0.33,133 0.05,134 1.125,135 8,136 0.249,137 0.614,138 1.406,139 62.536,140 0.218,141 0.171,142 0.641,143 -3.44,144 -3.42,145 -3.27,146 7,147 4.74,148 2.213,149 4.897,150 0.806,151 0.06,152 35.23,153 50.015,154 17,155 2,157 1,158 1,159 3,160 7.002,161 3.31,162 3.964,163 3.004,164 2.879,165 0.946,166 0.927,167 0.017,168 0.073,169 -0.005,170 0.194,171 2.732,172 7.842,173 3.733,174 12.808,175 6.621,176 15.489,177 8.044,178 8.985,179 17.686,180 8.866,181 10.249,182 20.216,183 10.108,184 3.31,185 11.263,186 22.569,187 11.108,188 3.004,189 20.141,190 12.458,191 25.052,192 12.286,193 22.015,194 13.558,195 13.373,196 23.898,197 14.732,198 14.533,199 25.79,200 15.872,201 15.662,202 27.687,203 17.043,204 16.822,205 29.591,206 18.203,207 17.973,208 10.51,209 5.367,210 5.31,211 0.309,212 7.002,213 3.31,214 -0.028,215 0.121,216 1.074,217 14.159,218 3.044,219 3.03,220 1.131,221 9.548,222 121.522,223 7.061,224 4.155,225 4.285,226 3.674,227 3.717,228 5.231,229 3.681,230 4.699}
{0 CHEMBL1672114,1 0.055,2 33.641,3 36.473,4 3,5 1.345,6 1.031,7 0.045,8 0.054,9 0.102,10 0.044,11 0.401,12 1.196,13 1.195,14 0.877,15 0.053,16 0.024,17 -0.166,18 -0.103,19 -0.018,20 -0.23,21 0.026,22 -0.288,23 -0.075,24 0.095,25 315.021,26 3.663,27 0.045,28 0.102,29 3.156,30 3.209,31 2.776,32 1.526,33 0.611,34 1.417,35 1.383,36 0.523,37 1.355,38 44.61,39 0.52,40 3.275,41 3.043,42 1.205,43 1.135,44 1.433,45 1.459,46 1.331,47 4.309,48 12.165,49 3.29,50 -0.905,51 0.755,52 3.029,53 0.119,54 0.152,55 5.3,56 3.187,57 12.165,58 27.508,59 30.01,60 32.494,61 34.993,62 37.485,63 19.704,64 5.29,65 4.309,66 12.165,67 3.29,69 2.856,70 2.305,71 1.054,72 3.034,73 -1,74 10137,75 17.078,76 -0.046,78 -1,79 -0.974,80 -1,81 9.674,82 3.924,83 1.411,84 3.334,85 11.118,86 5.197,88 2.754,89 1.64,90 2.344,91 1.356,92 1.792,93 3.573,94 1.33,95 0.477,96 0.974,97 0.223,98 1.387,99 1.411,100 0.155,101 -0.197,102 0.991,103 4.79,104 4.3,105 1.362,106 5,107 3.573,108 1.356,109 3.284,110 2.986,111 0.5,112 5.06,113 6.135,114 5.031,115 5.321,116 5.976,117 11.216,118 28.593,119 0.244,120 0.592,121 40.4,122 7,123 2.133,124 3.391,125 1.163,126 0.587,127 0.248,128 0.395,129 0.626,130 0.061,131 0.035,132 0.33,133 0.24,134 1.127,135 7,136 0.254,137 0.616,138 1.282,139 55.2,140 0.354,141 0.17,142 1.089,143 -3.93,144 -3.88,145 -3.68,146 8,147 4.469,148 2.697,149 7.273,150 0.805,151 0.06,152 30.039,153 48.743,154 14,156 1,159 4,160 7.064,161 3.317,162 3.598,163 2.608,164 2.578,165 1.005,166 0.932,167 0.027,168 0.073,169 -0.228,170 0.198,171 1.736,172 7.554,173 2.269,174 12.597,175 6.355,176 15.298,177 7.755,178 8.694,179 17.563,180 8.634,181 9.944,182 20.122,183 9.875,184 3.317,185 10.995,186 22.53,187 10.919,188 2.608,189 19.923,190 12.194,191 25.045,192 12.109,193 21.82,194 13.322,195 13.229,196 23.726,197 14.508,198 14.406,199 25.641,200 15.672,201 15.562,202 27.561,203 16.859,204 16.74,205 29.488,206 18.039,207 17.912,208 3.916,209 5.349,210 5.317,211 0.163,212 7.064,213 3.317,214 0.211,215 0.12,216 1.225,217 7.877,218 2.887,219 2.918,220 1.019,221 7.696,222 92.27,223 6.648,224 3.899,225 4.029,226 3.341,227 3.448,228 5.004,229 3.395,230 5.252}
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