@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL4769 @attribute molecule_id {CHEMBL1162303,CHEMBL1254000,CHEMBL1254093,CHEMBL1673217,CHEMBL1673218,CHEMBL192017,CHEMBL192342,CHEMBL2048241,CHEMBL2048242,CHEMBL2048244,CHEMBL2096899,CHEMBL213343,CHEMBL213470,CHEMBL213490,CHEMBL235059,CHEMBL235690,CHEMBL237808,CHEMBL238046,CHEMBL258994,CHEMBL259026,CHEMBL259064,CHEMBL259208,CHEMBL260712,CHEMBL260713,CHEMBL260714,CHEMBL260715,CHEMBL260880,CHEMBL261097,CHEMBL261336,CHEMBL261582,CHEMBL262616,CHEMBL263111,CHEMBL264168,CHEMBL264169,CHEMBL264692,CHEMBL265175,CHEMBL265176,CHEMBL277580,CHEMBL291314,CHEMBL298547,CHEMBL298852,CHEMBL299988,CHEMBL305530,CHEMBL319144,CHEMBL392884,CHEMBL405865,CHEMBL408792,CHEMBL410064,CHEMBL411030,CHEMBL411274,CHEMBL411665,CHEMBL416301,CHEMBL419627,CHEMBL427733,CHEMBL427939,CHEMBL429860,CHEMBL441692,CHEMBL442917,CHEMBL492471,CHEMBL492621,CHEMBL492622,CHEMBL493443,CHEMBL493706,CHEMBL493906,CHEMBL494279,CHEMBL494317,CHEMBL494694,CHEMBL494708,CHEMBL494876,CHEMBL494896,CHEMBL494897,CHEMBL494898,CHEMBL495079,CHEMBL495126,CHEMBL495127,CHEMBL495315,CHEMBL495485,CHEMBL522167,CHEMBL522337,CHEMBL52251,CHEMBL522861,CHEMBL523845,CHEMBL524189,CHEMBL54004,CHEMBL55264,CHEMBL56073,CHEMBL56254,CHEMBL67986,CHEMBL69330,CHEMBL71017,CHEMBL71360,CHEMBL84909,CHEMBL86513,CHEMBL923,CHEMBL924,CHEMBL997} @attribute FCFP4_1024b1 numeric @attribute FCFP4_1024b10 numeric @attribute FCFP4_1024b100 numeric @attribute FCFP4_1024b1000 numeric @attribute FCFP4_1024b1001 numeric @attribute FCFP4_1024b1002 numeric @attribute FCFP4_1024b1003 numeric @attribute FCFP4_1024b1004 numeric @attribute FCFP4_1024b1005 numeric @attribute FCFP4_1024b1006 numeric @attribute FCFP4_1024b1007 numeric @attribute FCFP4_1024b1008 numeric @attribute FCFP4_1024b1009 numeric @attribute FCFP4_1024b101 numeric @attribute FCFP4_1024b1010 numeric @attribute FCFP4_1024b1011 numeric @attribute FCFP4_1024b1012 numeric @attribute FCFP4_1024b1013 numeric @attribute FCFP4_1024b1014 numeric @attribute FCFP4_1024b1015 numeric @attribute FCFP4_1024b1016 numeric @attribute FCFP4_1024b1017 numeric @attribute FCFP4_1024b1018 numeric @attribute FCFP4_1024b1019 numeric @attribute FCFP4_1024b102 numeric @attribute FCFP4_1024b1020 numeric @attribute FCFP4_1024b1021 numeric @attribute FCFP4_1024b1022 numeric @attribute FCFP4_1024b1023 numeric @attribute FCFP4_1024b1024 numeric @attribute FCFP4_1024b103 numeric @attribute FCFP4_1024b104 numeric @attribute FCFP4_1024b105 numeric @attribute FCFP4_1024b106 numeric @attribute FCFP4_1024b107 numeric @attribute FCFP4_1024b108 numeric @attribute FCFP4_1024b109 numeric @attribute FCFP4_1024b11 numeric @attribute FCFP4_1024b110 numeric @attribute FCFP4_1024b111 numeric @attribute FCFP4_1024b112 numeric @attribute FCFP4_1024b113 numeric @attribute FCFP4_1024b114 numeric @attribute FCFP4_1024b115 numeric @attribute FCFP4_1024b116 numeric @attribute FCFP4_1024b117 numeric @attribute FCFP4_1024b118 numeric @attribute FCFP4_1024b119 numeric @attribute FCFP4_1024b12 numeric @attribute FCFP4_1024b120 numeric @attribute FCFP4_1024b121 numeric @attribute FCFP4_1024b122 numeric @attribute FCFP4_1024b123 numeric @attribute FCFP4_1024b124 numeric @attribute FCFP4_1024b125 numeric @attribute FCFP4_1024b126 numeric @attribute FCFP4_1024b127 numeric @attribute FCFP4_1024b128 numeric @attribute FCFP4_1024b129 numeric @attribute FCFP4_1024b13 numeric @attribute FCFP4_1024b130 numeric @attribute FCFP4_1024b131 numeric @attribute FCFP4_1024b132 numeric @attribute FCFP4_1024b133 numeric @attribute FCFP4_1024b134 numeric @attribute FCFP4_1024b135 numeric @attribute FCFP4_1024b136 numeric @attribute FCFP4_1024b137 numeric @attribute FCFP4_1024b138 numeric @attribute FCFP4_1024b139 numeric @attribute FCFP4_1024b14 numeric @attribute FCFP4_1024b140 numeric @attribute FCFP4_1024b141 numeric @attribute FCFP4_1024b142 numeric @attribute FCFP4_1024b143 numeric @attribute FCFP4_1024b144 numeric @attribute FCFP4_1024b145 numeric @attribute FCFP4_1024b146 numeric @attribute FCFP4_1024b147 numeric @attribute FCFP4_1024b148 numeric @attribute FCFP4_1024b149 numeric @attribute FCFP4_1024b15 numeric @attribute FCFP4_1024b150 numeric @attribute FCFP4_1024b151 numeric @attribute FCFP4_1024b152 numeric @attribute FCFP4_1024b153 numeric @attribute FCFP4_1024b154 numeric @attribute FCFP4_1024b155 numeric @attribute FCFP4_1024b156 numeric @attribute FCFP4_1024b157 numeric @attribute FCFP4_1024b158 numeric @attribute FCFP4_1024b159 numeric @attribute FCFP4_1024b16 numeric @attribute FCFP4_1024b160 numeric @attribute FCFP4_1024b161 numeric @attribute FCFP4_1024b162 numeric @attribute FCFP4_1024b163 numeric @attribute FCFP4_1024b164 numeric @attribute FCFP4_1024b165 numeric @attribute FCFP4_1024b166 numeric @attribute FCFP4_1024b167 numeric @attribute FCFP4_1024b168 numeric @attribute FCFP4_1024b169 numeric @attribute FCFP4_1024b17 numeric @attribute FCFP4_1024b170 numeric @attribute FCFP4_1024b171 numeric @attribute FCFP4_1024b172 numeric @attribute FCFP4_1024b173 numeric @attribute FCFP4_1024b174 numeric @attribute FCFP4_1024b175 numeric @attribute FCFP4_1024b176 numeric @attribute FCFP4_1024b177 numeric @attribute FCFP4_1024b178 numeric @attribute FCFP4_1024b179 numeric @attribute FCFP4_1024b18 numeric @attribute FCFP4_1024b180 numeric @attribute FCFP4_1024b181 numeric @attribute FCFP4_1024b182 numeric @attribute FCFP4_1024b183 numeric @attribute FCFP4_1024b184 numeric @attribute FCFP4_1024b185 numeric @attribute FCFP4_1024b186 numeric @attribute FCFP4_1024b187 numeric @attribute FCFP4_1024b188 numeric @attribute FCFP4_1024b189 numeric @attribute FCFP4_1024b19 numeric @attribute FCFP4_1024b190 numeric @attribute FCFP4_1024b191 numeric @attribute FCFP4_1024b192 numeric @attribute FCFP4_1024b193 numeric @attribute FCFP4_1024b194 numeric @attribute FCFP4_1024b195 numeric @attribute FCFP4_1024b196 numeric @attribute FCFP4_1024b197 numeric @attribute FCFP4_1024b198 numeric @attribute FCFP4_1024b199 numeric @attribute FCFP4_1024b2 numeric @attribute FCFP4_1024b20 numeric @attribute FCFP4_1024b200 numeric @attribute FCFP4_1024b201 numeric @attribute FCFP4_1024b202 numeric @attribute FCFP4_1024b203 numeric @attribute FCFP4_1024b204 numeric @attribute FCFP4_1024b205 numeric @attribute FCFP4_1024b206 numeric @attribute FCFP4_1024b207 numeric @attribute FCFP4_1024b208 numeric @attribute FCFP4_1024b209 numeric @attribute FCFP4_1024b21 numeric @attribute FCFP4_1024b210 numeric @attribute FCFP4_1024b211 numeric @attribute FCFP4_1024b212 numeric @attribute FCFP4_1024b213 numeric @attribute FCFP4_1024b214 numeric @attribute FCFP4_1024b215 numeric @attribute FCFP4_1024b216 numeric @attribute FCFP4_1024b217 numeric @attribute FCFP4_1024b218 numeric @attribute FCFP4_1024b219 numeric @attribute FCFP4_1024b22 numeric @attribute FCFP4_1024b220 numeric @attribute FCFP4_1024b221 numeric @attribute FCFP4_1024b222 numeric @attribute FCFP4_1024b223 numeric @attribute FCFP4_1024b224 numeric @attribute FCFP4_1024b225 numeric @attribute FCFP4_1024b226 numeric @attribute FCFP4_1024b227 numeric @attribute FCFP4_1024b228 numeric @attribute FCFP4_1024b229 numeric @attribute FCFP4_1024b23 numeric @attribute FCFP4_1024b230 numeric @attribute FCFP4_1024b231 numeric @attribute FCFP4_1024b232 numeric @attribute FCFP4_1024b233 numeric @attribute FCFP4_1024b234 numeric @attribute FCFP4_1024b235 numeric @attribute FCFP4_1024b236 numeric @attribute FCFP4_1024b237 numeric @attribute FCFP4_1024b238 numeric @attribute FCFP4_1024b239 numeric @attribute FCFP4_1024b24 numeric @attribute FCFP4_1024b240 numeric @attribute FCFP4_1024b241 numeric @attribute FCFP4_1024b242 numeric @attribute FCFP4_1024b243 numeric @attribute FCFP4_1024b244 numeric @attribute FCFP4_1024b245 numeric @attribute FCFP4_1024b246 numeric @attribute FCFP4_1024b247 numeric @attribute FCFP4_1024b248 numeric @attribute FCFP4_1024b249 numeric @attribute FCFP4_1024b25 numeric @attribute FCFP4_1024b250 numeric @attribute FCFP4_1024b251 numeric @attribute FCFP4_1024b252 numeric @attribute FCFP4_1024b253 numeric @attribute FCFP4_1024b254 numeric @attribute FCFP4_1024b255 numeric @attribute FCFP4_1024b256 numeric @attribute FCFP4_1024b257 numeric @attribute FCFP4_1024b258 numeric @attribute FCFP4_1024b259 numeric @attribute FCFP4_1024b26 numeric @attribute FCFP4_1024b260 numeric @attribute pXC50 numeric @data {1 1,48 1,137 1,206 4.115} {0 CHEMBL1254000,1 1,24 1,39 1,104 1,105 1,137 1,193 1,206 6.602} {0 CHEMBL1254093,1 1,39 1,104 1,105 1,137 1,193 1,206 6.097} {0 CHEMBL1673217,1 1,2 1,26 1,115 1,118 1,137 1,206 4.921} {0 CHEMBL1673218,1 1,2 1,26 1,115 1,118 1,137 1,206 5.481} {0 CHEMBL192017,1 1,104 1,105 1,137 1,193 1,206 5.043} {0 CHEMBL192342,1 1,104 1,105 1,137 1,193 1,206 4.875} {0 CHEMBL2048241,1 1,16 1,35 1,69 1,104 1,105 1,115 1,137 1,174 1,202 1,206 4} {0 CHEMBL2048242,1 1,16 1,35 1,69 1,104 1,105 1,115 1,137 1,174 1,202 1,206 4} {0 CHEMBL2048244,1 1,16 1,35 1,69 1,104 1,105 1,115 1,137 1,174 1,202 1,206 4} {0 CHEMBL2096899,1 1,39 1,137 1,206 5.222} {0 CHEMBL213343,1 1,104 1,105 1,137 1,193 1,206 4.285} {0 CHEMBL213470,1 1,70 1,104 1,105 1,137 1,193 1,206 4} {0 CHEMBL213490,1 1,6 1,28 1,104 1,105 1,137 1,193 1,206 5.678} {0 CHEMBL235059,1 1,40 1,99 1,137 1,206 4.19} {0 CHEMBL235690,1 1,99 1,115 1,137 1,173 1,206 5.495} {0 CHEMBL237808,1 1,99 1,115 1,137 1,173 1,206 5.815} {0 CHEMBL238046,1 1,99 1,115 1,137 1,173 1,206 5.905} {0 CHEMBL258994,1 1,39 1,137 1,206 6.198} {0 CHEMBL259026,1 1,6 1,28 1,35 1,64 1,104 1,105 1,137 1,193 1,206 5.585} {0 CHEMBL259064,1 1,39 1,137 1,206 4} {0 CHEMBL259208,1 1,39 1,137 1,206 4.398} {0 CHEMBL260712,1 1,39 1,137 1,206 5.155} {0 CHEMBL260713,1 1,39 1,137 1,206 5.222} {0 CHEMBL260714,1 1,39 1,137 1,206 5.523} {0 CHEMBL260715,1 1,39 1,137 1,206 4.222} {0 CHEMBL260880,1 1,104 1,105 1,137 1,161 1,206 5.39} {0 CHEMBL261097,1 1,39 1,137 1,206 4} {0 CHEMBL261336,1 1,39 1,137 1,206 4.155} {0 CHEMBL261582,1 1,137 1,206 4} {0 CHEMBL262616,1 1,6 1,28 1,104 1,105 1,137 1,193 1,206 6.122} {0 CHEMBL263111,1 1,39 1,137 1,206 5} {0 CHEMBL264168,1 1,39 1,137 1,206 5.155} {0 CHEMBL264169,1 1,39 1,137 1,206 4.222} {0 CHEMBL264692,1 1,39 1,137 1,206 6} {0 CHEMBL265175,1 1,39 1,137 1,206 4.155} {0 CHEMBL265176,1 1,15 1,35 1,39 1,104 1,105 1,137 1,193 1,206 4} {0 CHEMBL277580,1 1,99 1,137 1,206 4.19} {0 CHEMBL291314,1 1,80 1,115 1,137 1,173 1,206 7} {0 CHEMBL298547,1 1,115 1,137 1,206 5.367} {0 CHEMBL298852,1 1,115 1,137 1,206 5.854} {0 CHEMBL299988,1 1,115 1,137 1,206 4.276} {0 CHEMBL305530,1 1,2 1,39 1,99 1,116 1,118 1,137 1,164 1,177 1,206 4} {0 CHEMBL319144,1 1,104 1,105 1,111 1,115 1,137 1,206 4.094} {0 CHEMBL392884,1 1,99 1,115 1,137 1,173 1,206 5.08} {0 CHEMBL405865,1 1,39 1,104 1,105 1,137 1,193 1,206 5.075} {0 CHEMBL408792,1 1,39 1,137 1,187 1,206 6.222} {0 CHEMBL410064,1 1,39 1,137 1,206 6.523} {0 CHEMBL411030,1 1,15 1,35 1,39 1,104 1,105 1,137 1,193 1,206 6.046} {0 CHEMBL411274,1 1,6 1,28 1,104 1,105 1,115 1,137 1,193 1,206 5.4} {0 CHEMBL411665,1 1,15 1,35 1,104 1,105 1,137 1,193 1,206 4} {0 CHEMBL416301,1 1,115 1,137 1,206 5.585} {0 CHEMBL419627,1 1,2 1,39 1,99 1,118 1,137 1,164 1,177 1,200 1,206 6.509} {0 CHEMBL427733,1 1,15 1,35 1,39 1,104 1,105 1,137 1,193 1,206 6.046} {0 CHEMBL427939,1 1,39 1,137 1,206 4.398} {0 CHEMBL429860,1 1,39 1,137 1,206 6.222} {0 CHEMBL441692,1 1,104 1,105 1,137 1,193 1,206 5} {0 CHEMBL442917,1 1,99 1,115 1,137 1,173 1,206 4.1} {0 CHEMBL492471,1 1,66 1,104 1,105 1,115 1,137 1,193 1,196 1,206 5.32} {0 CHEMBL492621,1 1,104 1,105 1,115 1,137 1,148 1,193 1,206 6.11} {0 CHEMBL492622,1 1,80 1,115 1,137 1,173 1,206 6.076} {0 CHEMBL493443,1 1,28 1,104 1,105 1,115 1,137 1,193 1,206 6.215} {0 CHEMBL493706,1 1,66 1,104 1,105 1,115 1,137 1,193 1,206 5.685} {0 CHEMBL493906,1 1,115 1,137 1,206 5.6} {0 CHEMBL494279,1 1,10 1,104 1,105 1,115 1,137 1,193 1,206 5.92} {0 CHEMBL494317,1 1,66 1,104 1,105 1,115 1,137 1,193 1,196 1,206 5.3} {0 CHEMBL494694,1 1,66 1,104 1,105 1,115 1,137 1,193 1,206 6.577} {0 CHEMBL494708,1 1,115 1,137 1,206 5.715} {0 CHEMBL494876,1 1,104 1,105 1,115 1,137 1,183 1,193 1,206 5.78} {0 CHEMBL494896,1 1,2 1,26 1,115 1,118 1,137 1,206 6.478} {0 CHEMBL494897,1 1,104 1,105 1,115 1,137 1,193 1,206 6.577} {0 CHEMBL494898,1 1,104 1,105 1,115 1,137 1,193 1,206 6.399} {0 CHEMBL495079,1 1,35 1,104 1,105 1,115 1,137 1,193 1,206 5.9} {0 CHEMBL495126,1 1,104 1,105 1,137 1,193 1,206 5.6} {0 CHEMBL495127,1 1,104 1,105 1,115 1,137 1,193 1,206 5.51} {0 CHEMBL495315,1 1,70 1,104 1,105 1,137 1,193 1,206 4.58} {0 CHEMBL495485,1 1,104 1,105 1,109 1,115 1,137 1,193 1,206 6.19} {0 CHEMBL522167,1 1,35 1,104 1,105 1,115 1,137 1,193 1,206 5.6} {0 CHEMBL522337,1 1,104 1,105 1,115 1,137 1,193 1,206 6.296} {0 CHEMBL52251,1 1,52 1,115 1,137 1,206 5.658} {0 CHEMBL522861,1 1,104 1,105 1,115 1,137 1,193 1,206 5.2} {0 CHEMBL523845,1 1,104 1,105 1,137 1,193 1,206 4.015} {0 CHEMBL524189,1 1,104 1,105 1,115 1,137 1,193 1,206 5.616} {0 CHEMBL54004,1 1,115 1,137 1,206 6.149} {0 CHEMBL55264,1 1,115 1,137 1,206 4.955} {0 CHEMBL56073,1 1,2 1,104 1,105 1,118 1,137 1,193 1,206 5.39} {0 CHEMBL56254,1 1,52 1,115 1,137 1,206 4.721} {0 CHEMBL67986,1 1,2 1,39 1,99 1,118 1,137 1,164 1,177 1,200 1,206 6.432} {0 CHEMBL69330,1 1,39 1,99 1,137 1,164 1,177 1,206 6.149} {0 CHEMBL71017,1 1,2 1,39 1,99 1,118 1,137 1,164 1,177 1,200 1,206 6.131} {0 CHEMBL71360,1 1,2 1,39 1,99 1,118 1,137 1,164 1,177 1,200 1,206 6.854} {0 CHEMBL84909,1 1,39 1,137 1,206 5} {0 CHEMBL86513,1 1,39 1,137 1,206 7} {0 CHEMBL923,1 1,28 1,104 1,105 1,115 1,137 1,193 1,196 1,206 4} {0 CHEMBL924,1 1,50 1,64 1,104 1,115 1,137 1,206 4} {0 CHEMBL997,1 1,2 1,115 1,118 1,137 1,206 4.1}