"molecule_id","CATS2D_08_DL","ATS1m","ATS2e","ATS2i","ATS2p","ATS2v","ATS5v","ATS6e","ATS6i","ATS6m","ATS6p","ATS6v","ATS7e","ATS7i","ATS7m","ATS7p","ATS7v","ATS8e","ATS8i","ATS8m","ATS8p","ATS8v","ATSC2i","ATSC4e","ATSC5e","ATSC6e","ATSC6i","ATSC6p","ATSC6v","ATSC7e","ATSC7i","ATSC7m","ATSC7p","ATSC7v","ATSC8e","ATSC8i","ATSC8m","ATSC8p","ATSC8v","BBI","CATS2D_07_LL","CATS2D_08_AL","CATS2D_09_DL","CATS2D_09_LL","Chi0_EA.bo.","Chi1_AEA.bo.","Chi1_AEA.dm.","Chi1_AEA.ed.","Chi1_AEA.ri.","Chi1_EA","Chi1_EA.bo.","Chi1_EA.ri.","Eig08_EA.ed.","Eig08_EA.ri.","Eig09_AEA.dm.","Eig09_AEA.ed.","Eig10_AEA.dm.","Eig11_AEA.bo.","Eig11_AEA.dm.","Eig11_AEA.ed.","Eig11_EA.ed.","Eig12_AEA.dm.","Eig13_AEA.bo.","Eig13_AEA.ri.","Eig13_EA","Eig13_EA.ri.","Eig14_AEA.ed.","Eig14_AEA.ri.","Eig14_EA.ed.","Eig14_EA.ri.","Eig15_AEA.ed.","Eig15_EA.ed.","GGI10","GGI3","GGI6","GGI7","GGI8","GGI9","MAXDN","MPC01","MPC02","MWC01","MWC02","MWC03","nBO","nC","ON1V","Psi_i_0","Psi_i_1","SM02_EA","SM02_EA.ri.","SM03_AEA.ri.","SM04_AEA.bo.","SM06_AEA.ri.","SM07_AEA.dm.","SM09_AEA.ri.","SM10_AEA.ri.","SNar","SpAD_AEA.bo.","SpAD_AEA.dm.","SpAD_AEA.ri.","SpAD_EA","SpAD_EA.ed.","SpAD_EA.ri.","SpMax4_Bh.e.","SpMax4_Bh.i.","SpMax6_Bh.v.","SpMax7_Bh.p.","SpMin2_Bh.p.","SpMin4_Bh.i.","SpMin4_Bh.m.","SpMin7_Bh.e.","SpMin7_Bh.i.","SpMin7_Bh.m.","SpMin7_Bh.v.","SpMin8_Bh.m.","SRW02","SRW04","X1Kup","X1MulPer","X1Per","X1v","X3","X3sol","Xt","ZM1","ZM2","CATS2D_04_DL","SpMax3_Bh.e.","SpMax3_Bh.i.","SsOH","Rperim","TRS","AMR","ATS5m","BID","CATS2D_07_DN","Chi0_AEA.bo.","Chi0_AEA.dm.","Chi0_AEA.ed.","Chi0_AEA.ri.","Chi0_EA","Chi0_EA.ri.","CID","Eig07_AEA.bo.","Eig13_AEA.dm.","Eig14_AEA.dm.","Eig15_AEA.bo.","Eig15_AEA.dm.","Eig15_AEA.ri.","Eig15_EA.ri.","Eta_alpha","HDcpx","IDDM","IDM","IVDM","piID","piPC02","piPC03","Psi_e_0","SM02_AEA.bo.","SM02_EA.bo.","SM03_AEA.bo.","SpAD_EA.bo.","SpMax4_Bh.m.","SpMax7_Bh.e.","SpMax7_Bh.i.","SpMax7_Bh.v.","SpMax8_Bh.p.","SpMax8_Bh.v.","SpMin5_Bh.v.","SpMin7_Bh.p.","SpMin8_Bh.e.","SpMin8_Bh.i.","X1","X1Mad","X1sol","XMOD","ZM1Per","ZM2Kup","ZM2MulPer","ZM2Per","ZM2V","CATS2D_08_LL","P_VSA_s_3","Eig10_AEA.ri.","Eig09_EA.ed.","SM04_AEA.ri.","SpMin6_Bh.s.","X5","ATSC2s","Hy","SM08_EA","SpMax3_Bh.p.","ATS1p","ATS1v","ATSC1v","ATSC2v","Eig11_EA.bo.","SpMin5_Bh.m.","SpMin5_Bh.s.","BAC","ATS1e","ATS2m","ATS7s","ATSC2p","ATSC3m","ATSC4m","ATSC4p","ATSC4v","ATSC6m","CATS2D_03_AL","CATS2D_05_LL","CATS2D_06_DL","CATS2D_06_LL","CATS2D_09_AL","CIC0","Dz","Eig02_AEA.dm.","Eig03_AEA.bo.","Eig03_AEA.ri.","Eig03_EA","Eig04_EA","Eig05_AEA.ed.","Eig05_EA.ed.","Eig06_AEA.ri.","Eig06_EA","Eig06_EA.ri.","Eig09_AEA.ri.","Eig09_EA","Eig09_EA.ri.","Eig13_AEA.ed.","Eig13_EA.ed.","Eig15_EA","Eta_L","GGI2","IDDE","MPC04","MPC06","MW","MWC06","MWC07","MWC08","MWC09","nBT","nCrs","pXC50"
{2 3.416,3 4.392,4 4.525,5 3.727,6 3.737,7 3.601,8 4.423,9 4.581,10 3.662,11 3.468,12 3.497,13 4.371,14 4.555,15 3.449,16 3.317,17 3.309,18 4.105,19 4.355,20 2.763,21 2.973,22 2.875,23 0.973,24 1.034,25 1.093,26 0.799,27 0.781,28 5.366,29 6.48,30 0.868,31 0.694,32 18.303,33 5.07,34 6.565,35 0.633,36 0.52,37 15.825,38 3.756,39 5.422,40 38,42 2,43 2,45 13.761,46 12.32,47 12.32,48 12.32,49 12.32,50 12.32,51 10.714,52 12.794,53 2.853,54 1.186,55 1.359,56 3.384,57 0.963,58 1.632,59 0.869,60 3,61 1.372,62 0.618,63 0.755,64 0.511,65 -0.539,66 -0.558,67 2.321,68 0.211,69 -2,70 -0.777,71 2.226,72 -2.139,74 2.389,75 0.58,76 0.369,77 0.066,78 0.007,79 2.863,80 3.258,81 3.664,82 3.258,83 4.844,84 5.753,85 25,86 14,87 2.278,88 15.286,89 13.809,90 4.344,91 4.277,92 2.853,93 7.261,94 1.372,95 -0.539,96 -2,97 -2.139,98 16.531,99 39.847,100 40.941,101 39.02,102 39.172,103 122.754,104 37.826,105 3.364,106 3.384,107 2.683,108 2.431,109 1.898,110 1.273,111 1.514,112 0.939,113 0.938,114 1.061,115 1.231,116 0.95,117 3.932,118 5.313,119 7.157,120 7.122,121 5.717,122 7.305,123 8.906,124 8.906,125 0.246,126 126,127 157,129 3.631,130 3.669,131 9.463,132 14,133 20,134 70.897,135 3.842,136 3.149,138 14.776,139 14.776,140 14.776,141 14.776,142 14.776,143 15.077,144 3.835,145 2.661,146 0.494,147 0.383,148 0.325,149 -0.273,150 -0.023,151 -0.983,152 9.867,153 1.653,154 4.433,155 7.654,156 4.373,157 7.969,158 3.956,159 4.411,160 8.346,161 4.764,162 4.64,163 5.948,164 45.748,165 3.289,166 2.732,167 2.796,168 2.462,169 2.342,170 2.377,171 1.433,172 1.318,173 0.613,174 0.545,175 10.575,176 9.962,177 10.575,178 68.032,179 530.81,180 374.422,181 366.656,182 548.46,183 347,185 20.68,186 1.533,187 1.904,188 1.904,189 0.36,190 6.073,191 65.718,192 0.438,193 10.351,194 3.4,195 3.237,196 3.274,197 3.8,198 7.4,199 0.622,200 1.466,201 0.551,202 18,203 3.777,204 3.872,205 5.759,206 5.989,207 23.909,208 22.712,209 6.721,210 8.483,211 18.008,212 3,215 2,217 3.467,218 50.5,219 3.721,220 3.831,221 3.453,222 2.503,223 2.251,224 5.27,225 6.49,226 2.49,227 1.519,228 1.462,229 1.768,230 0.779,231 0.758,232 2.789,233 -1.561,234 -1,235 6.01,236 2.444,237 3.732,238 4.431,239 4.762,240 305.32,241 8.569,242 9.512,243 10.463,244 11.412,245 40,246 4,247 5.87}
{0 CHEMBL100935,2 3.416,3 4.392,4 4.525,5 3.727,6 3.737,7 3.601,8 4.423,9 4.581,10 3.662,11 3.468,12 3.497,13 4.371,14 4.555,15 3.449,16 3.317,17 3.309,18 4.105,19 4.355,20 2.763,21 2.973,22 2.875,23 0.973,24 1.034,25 1.093,26 0.799,27 0.781,28 5.366,29 6.48,30 0.868,31 0.694,32 18.303,33 5.07,34 6.565,35 0.633,36 0.52,37 15.825,38 3.756,39 5.422,40 38,42 2,43 2,45 13.761,46 12.32,47 12.32,48 12.32,49 12.32,50 12.32,51 10.714,52 12.794,53 2.853,54 1.186,55 1.359,56 3.384,57 0.963,58 1.632,59 0.869,60 3,61 1.372,62 0.618,63 0.755,64 0.511,65 -0.539,66 -0.558,67 2.321,68 0.211,69 -2,70 -0.777,71 2.226,72 -2.139,74 2.389,75 0.58,76 0.369,77 0.066,78 0.007,79 2.863,80 3.258,81 3.664,82 3.258,83 4.844,84 5.753,85 25,86 14,87 2.278,88 15.286,89 13.809,90 4.344,91 4.277,92 2.853,93 7.261,94 1.372,95 -0.539,96 -2,97 -2.139,98 16.531,99 39.847,100 40.941,101 39.02,102 39.172,103 122.754,104 37.826,105 3.364,106 3.384,107 2.683,108 2.431,109 1.898,110 1.273,111 1.514,112 0.939,113 0.938,114 1.061,115 1.231,116 0.95,117 3.932,118 5.313,119 7.157,120 7.122,121 5.717,122 7.305,123 8.906,124 8.906,125 0.246,126 126,127 157,129 3.631,130 3.669,131 9.463,132 14,133 20,134 70.897,135 3.842,136 3.149,138 14.776,139 14.776,140 14.776,141 14.776,142 14.776,143 15.077,144 3.835,145 2.661,146 0.494,147 0.383,148 0.325,149 -0.273,150 -0.023,151 -0.983,152 9.867,153 1.653,154 4.433,155 7.654,156 4.373,157 7.969,158 3.956,159 4.411,160 8.346,161 4.764,162 4.64,163 5.948,164 45.748,165 3.289,166 2.732,167 2.796,168 2.462,169 2.342,170 2.377,171 1.433,172 1.318,173 0.613,174 0.545,175 10.575,176 9.962,177 10.575,178 68.032,179 530.81,180 374.422,181 366.656,182 548.46,183 347,185 20.68,186 1.533,187 1.904,188 1.904,189 0.36,190 6.073,191 65.718,192 0.438,193 10.351,194 3.4,195 3.237,196 3.274,197 3.8,198 7.4,199 0.622,200 1.466,201 0.551,202 18,203 3.777,204 3.872,205 5.759,206 5.989,207 23.909,208 22.712,209 6.721,210 8.483,211 18.008,212 3,215 2,217 3.467,218 50.5,219 3.721,220 3.831,221 3.453,222 2.503,223 2.251,224 5.27,225 6.49,226 2.49,227 1.519,228 1.462,229 1.768,230 0.779,231 0.758,232 2.789,233 -1.561,234 -1,235 6.01,236 2.444,237 3.732,238 4.431,239 4.762,240 305.32,241 8.569,242 9.512,243 10.463,244 11.412,245 40,246 4,247 6.092}
{0 CHEMBL108308,1 11,2 4.282,3 5.379,4 5.573,5 4.64,6 4.587,7 5.014,8 6.097,9 6.332,10 5.06,11 5.167,12 5.081,13 6.168,14 6.404,15 5.137,16 5.243,17 5.157,18 6.271,19 6.511,20 5.202,21 5.28,22 5.202,23 2.507,24 1.727,25 2.593,26 2.413,27 4.311,28 31.787,29 47.766,30 2.138,31 4.682,32 113.583,33 34.624,34 51.876,35 2.917,36 4.909,37 128.697,38 35.886,39 54.489,40 81,41 20,42 19,43 13,44 19,45 34.924,46 29.273,47 29.273,48 29.273,49 29.273,50 29.273,51 24.822,52 29.931,53 6.824,54 2.328,55 2.815,56 5.32,57 2.785,58 3.497,59 2.646,60 4.939,61 5.498,62 2.419,63 2.942,64 2.537,65 1.541,66 1.524,67 4.229,68 2.509,69 3.702,70 1.492,71 3.994,72 3.349,73 1.054,74 4.938,75 2.224,76 1.818,77 1.436,78 1.221,79 3.229,80 4.111,81 4.407,82 4.111,83 5.645,84 6.46,85 60,86 41,87 6.904,88 40.473,89 31.9,90 5.094,91 5.055,92 6.824,93 8.034,94 5.498,95 1.541,96 3.702,97 3.349,98 36.528,99 89.917,100 92.925,101 87.749,102 87.728,103 244.874,104 86.02,105 3.812,106 3.857,107 3.535,108 3.494,109 2.012,110 1.725,111 1.946,112 1.611,113 1.563,114 1.824,115 1.811,116 1.737,117 4.796,118 6.098,119 19.087,120 18.449,121 15.448,122 19.398,123 19.354,124 19.354,125 0.165,126 282,127 319,128 8,129 3.842,130 3.881,131 20.078,132 25,133 25,134 220.91,135 5.035,136 4.096,137 1,138 37.879,139 37.879,140 37.879,141 37.879,142 37.879,143 38.394,144 4.759,145 3.802,146 2.417,147 2.269,148 2.73,149 2.141,150 2.482,151 1.478,152 27.033,153 1.898,154 5.855,155 10.53,156 5.764,157 10.119,158 4.749,159 5.048,160 22.478,161 5.574,162 5.438,163 6.75,164 104.293,165 3.733,166 3.646,167 3.689,168 3.499,169 3.345,170 3.341,171 1.901,172 1.817,173 1.482,174 1.432,175 27.8,176 26.531,177 27.8,178 176.398,179 1157.84,180 781.011,181 784.114,182 1123.43,183 731,184 20,185 51.148,186 3.184,187 6.284,188 6.284,189 1.081,190 10.269,191 145.907,192 5.759,193 10.524,194 3.709,195 4.258,196 4.24,197 14.592,198 24.865,199 2.593,200 1.902,201 1.179,202 354,203 4.831,204 4.631,205 7.32,206 17.005,207 70.45,208 88.223,209 25.12,210 37.422,211 106.761,212 13,213 22,214 10,215 23,216 17,217 5.305,218 132,219 3.826,220 4.117,221 3.943,222 2.962,223 2.846,224 6.035,225 8.604,226 3.64,227 2.65,228 2.613,229 3.213,230 2.23,231 2.199,232 4.341,233 3.853,234 1.483,235 15.643,236 8,237 5.645,238 4.7,239 4.828,240 825.09,241 8.994,242 9.836,243 10.688,244 11.534,245 120,246 6,247 9.35}
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