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[0,1,0,0,0,0|2,0,1]=4 125 B13R0.1 CCCOC/C=C(/C)\CCC=C(C)C 34a_100016990311_100000210303 [0,1,0,0,0,0|1,0,1]=3 126 B13R0.1 CCCOC/C=C(/C)\CCC=C(C)C 7a_100016990311_100000210303 [0,1,0,0,0,0|1,0,1]=3 127 B13R0.1 CCCOC/C=C(\C)/CCC=C(C)C 34a_100000210258_100016991246 [0,1,0,0,0,0|1,0,1]=3 128 B13R0.1 CCCSC/C=C(\C)/CCC=C(C)C 62a_100000210303_100016991246 [0,1,0,0,0,0|1,1,1]=4 129 B13R0.1 CCCSC/C=C(\C)/CCC=C(C)C 62a_100016991246_100000210303 [0,1,0,0,0,0|1,1,1]=4 130 B13R0.1 COCNC/C=C(\C)/CCC=C(C)C 2230a_200020676162_100000766300 [0,1,0,0,0,0|1,0,2]=4 131 B13R0.1 COCSC/C=C(\C)/CCC=C(C)C 62a_100000766300_100016991246 [0,1,0,0,0,0|0,1,2]=4 132 B13R0.1 COCSC/C=C(\C)/CCC=C(C)C 62a_100016991246_100000766300 [0,1,0,0,0,0|0,1,2]=4 133 B13R0.1 CSCNC/C=C(\C)/CCC=C(C)C 2230a_200020676162_100011218213 [0,1,0,0,0,0|1,1,1]=4 134 B13R0.1 CSCNC/C=C(\C)/CCC=C(C)C 34a_200020676162_100011218213 [0,1,0,0,0,0|1,1,1]=4 135 B13R0.1 CSCOC/C=C(/C)\CCC=C(C)C 34a_100016990311_100011218213 [0,1,0,0,0,0|0,1,1]=3 136 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2230a_200020676162_100000210206 [0,1,0,0,0,0|2,0,1]=4 147 B13R0.1398 CC(=CCC/C(=C/CNC(C)C)/C)C 34a_100138425928_100016991246 [0,1,0,0,0,0|2,0,1]=4 148 B13R0.1398 CC(=CCC/C(=C/CNC(C)C)/C)C 34a_200020676162_100000210206 [0,1,0,0,0,0|2,0,1]=4 149 B13R0.1398 CC(=CCC/C(=C/COC(C)C)/C)C 34a_100000212225_100016991246 [0,1,0,0,0,0|1,0,1]=3 150 B13R0.1398 CC(=CCC/C(=C/CSC(C)C)/C)C 62a_100000210206_100016991246 [0,1,0,0,0,0|1,1,1]=4 151 B13R0.1398 CC(=CCC/C(=C/CSC(C)C)/C)C 62a_100016991246_100000210206 [0,1,0,0,0,0|1,1,1]=4 152 B13R0.1398 CC(=CCC/C(=C\COC(C)C)/C)C 34a_100016990311_100000210206 [0,1,0,0,0,0|1,0,1]=3 153 B13R0.1398 CC(=CCC/C(=C\COC(C)C)/C)C 7a_100016990311_100000210206 [0,1,0,0,0,0|1,0,1]=3 154 B13R0.1398 CC(=CCCC(=O)CCNC(=O)N)C 1458a_100000181464_100011217483 [0,1,0,0,0,0|2,0,1]=4 155 B13R0.1398 CC(=CCCC(C)OCCC(=O)N)C 34a_100102619829_100000731001 [0,1,0,0,0,0|2,0,1]=4 156 B13R0.1398 CC(=CCCC(C)OCCC(=O)N)C 7a_100102619829_100000744528 [0,1,0,0,0,0|2,0,1]=4 157 B13R0.1398 CC(=CCCN(C)CCCC(=O)O)C 269956a_100000719178_100011217483 [0,1,0,0,0,0|2,0,1]=4 158 B13R0.1398 CC(=O)CCOC(C)CCC=C(C)C 7a_100102619829_100000053229 [0,1,0,0,0,0|2,0,1]=4 159 B13R0.1398 CC(=O)NC/C=C(\C)/CCC=C(C)C 11a_200020676162_100015343762 [0,1,0,0,0,0|1,0,0]=2 160 B13R0.1398 CC(=O)NC/C=C(\C)/CCC=C(C)C 1626a_200020676162_100015343762 [0,1,0,0,0,0|1,0,0]=2 161 B13R0.1398 CC(=O)NC/C=C(\C)/CCC=C(C)C 527a_200020676162_100103153847 [0,1,0,0,0,0|1,0,0]=2 162 B13R0.1398 CC(=O)NCCC(=O)CCC=C(C)C 1458a_100000183196_100011217483 [0,1,0,0,0,0|2,0,1]=4 163 B13R0.1398 CC(=O)NN=CC(C)CCC=C(C)C 4a_100000189765_100000033009 [0,1,0,0,0,0|2,0,1]=4 164 B13R0.1398 CC(=O)OCOC(C)CCC=C(C)C 34a_100102619829_100009813279 [0,1,0,0,0,0|1,0,1]=3 165 B13R0.1398 CC(=O)SCCC(=O)CCC=C(C)C 1458a_100000048949_100011217483 [0,1,0,0,0,0|1,1,1]=4 166 B13R1.149 CC(=CCCN1CCNC(=O)C1)C 2230a_100000184651_100011217483 [0,0,0,1,0,0|2,0,1]=4 167 B13R1.149 CC(=CCCN1CCOC(=O)C1)C 2230a_100000131268_100011217483 [0,0,0,1,0,0|1,0,1]=3 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1458a_100000210699_100011217483 [2,0,0,0,0,0|2,0,0]=4 180 B10R0.3 COCC(=O)CCC=C(C)C 1458a_100000210968_100011217483 [2,0,0,0,0,0|1,0,1]=4 181 B12R0.44 CC(=CCC/C(=C/CN(C)C)/C)C 2230a_100102631434_100016991246 [1,1,0,0,0,0|1,0,1]=4 182 B12R0.44 CC(=CCC/C(=C/CN(C)C)/C)C 269982a_100102631434_100016991246 [1,1,0,0,0,0|1,0,1]=4 183 B12R0.44 CC(=CCCC(=O)CCC(=O)N)C 1458a_100011215257_100011217483 [1,1,0,0,0,0|1,0,1]=4 184 B12R0.44 CC(=CCCC(=O)CNC(=O)N)C 1458a_100000184981_100011217483 [1,1,0,0,0,0|2,0,0]=4 185 B12R0.44 CC(=CCCC(C)OCC(=O)N)C 34a_100102619829_100000187820 [1,1,0,0,0,0|1,0,1]=4 186 B12R0.44 CC(=CCCC(C)OCC(=O)N)C 7a_100102619829_100000187820 [1,1,0,0,0,0|1,0,1]=4 187 B12R0.44 CC(=CCCC(C)OCC(=O)[O-])C 34a_100102619829_100020667443 [1,1,0,0,0,0|1,0,1]=4 188 B12R0.44 CC(=CCCN(C)CCC(=O)N)C 2230a_100000730477_100011217483 [1,1,0,0,0,0|1,0,1]=4 189 B12R0.44 CC(=O)C/C=C(\C)/CCC=C(C)C 1458a_100000070787_100016991246 [1,1,0,0,0,0|0,0,0]=2 190 B12R0.44 CC(=O)CCC(C)CCC=C(C)C 1458a_100000070787_100009814015 [1,1,0,0,0,0|0,0,2]=4 191 B12R0.44 CC(=O)NCC(=O)CCC=C(C)C 1458a_100000194580_100011217483 [1,1,0,0,0,0|2,0,0]=4 192 B12R0.44 CC(=O)NN=C(C)CCC=C(C)C 4a_100000189765_100000765506 [1,1,0,0,0,0|2,0,0]=4 193 B12R0.44 CC(=O)OCC(=O)CCC=C(C)C 1458a_100000183556_100011217483 [1,1,0,0,0,0|1,0,0]=3 194 B12R0.44 CC(=O)OCC(=O)NCC=C(C)C 1626a_100000718196_100000183556 [1,1,0,0,0,0|2,0,0]=4 195 B12R0.44 CC(=O)OCC(=O)NCC=C(C)C 527a_100000718196_100000183556 [1,1,0,0,0,0|2,0,0]=4 196 B12R0.44 CC(=O)OCC(C)NCC=C(C)C 270004a_100000718196_100000000629 [1,1,0,0,0,0|1,0,1]=4 197 B12R0.44 CC(=O)SCC(=O)CCC=C(C)C 1458a_100000049016_100011217483 [1,1,0,0,0,0|1,1,0]=4 198 B12R0.268 CC(=CCCOCCOC(=O)N)C 7a_100000766696_100011217483 [1,1,0,0,0,0|1,0,1]=4 199 B12R0.268 CC(=CCCSCCOC(=O)N)C 62a_100011217483_200011214921 [1,1,0,0,0,0|1,0,1]=4 200 B12R0.268 CC(=CCCSCCOC(=O)N)C 62a_200011214921_100011217483 [1,1,0,0,0,0|1,0,1]=4 201 B12R0.268 CC(=O)OCCSCCC=C(C)C 62a_100009814007_100011217483 [1,1,0,0,0,0|1,0,1]=4 202 B12R0.268 CC(=O)OCCSCCC=C(C)C 62a_100011217483_100009814007 [1,1,0,0,0,0|1,0,1]=4 203 B14R0.2 C#CCCOC/C=C(/C)\CCC=C(C)C 34a_100016990311_100000688953 [0,2,0,0,0,0|1,0,1]=4 204 B14R0.2 C#CCCOC/C=C(/C)\CCC=C(C)C 7a_100016990311_100000688953 [0,2,0,0,0,0|1,0,1]=4 205 B14R0.2 C#CCCOC/C=C(\C)/CCC=C(C)C 34a_100011215631_100016991246 [0,2,0,0,0,0|1,0,1]=4 206 B14R0.2 C/C=C/CNC/C=C(\C)/CCC=C(C)C 34a_200020676162_100102629194 [0,2,0,0,0,0|2,0,0]=4 207 B14R0.2 C/C=C/COC/C=C(/C)\CCC=C(C)C 34a_100016990311_100102629194 [0,2,0,0,0,0|1,0,0]=3 208 B14R0.2 C/C=C/COC/C=C(/C)\CCC=C(C)C 7a_100016990311_100102629194 [0,2,0,0,0,0|1,0,0]=3 209 B14R0.2 C/C=C/COC/C=C(\C)/CCC=C(C)C 34a_100016270725_100016991246 [0,2,0,0,0,0|1,0,0]=3 210 B14R0.2 C/C=C/CSC/C=C(\C)/CCC=C(C)C 62a_100016991246_100102629194 [0,2,0,0,0,0|1,1,0]=4 211 B14R0.2 C/C=C/CSC/C=C(\C)/CCC=C(C)C 62a_100102629194_100016991246 [0,2,0,0,0,0|1,1,0]=4 212 B14R0.2 C=CCCNC/C=C(\C)/CCC=C(C)C 2230a_100015191253_100016991246 [0,2,0,0,0,0|2,0,0]=4 213 B14R0.2 C=CCCNC/C=C(\C)/CCC=C(C)C 2230a_200020676162_100000754431 [0,2,0,0,0,0|2,0,0]=4 214 B14R0.2 C=CCCNC/C=C(\C)/CCC=C(C)C 34a_200020676162_100000754431 [0,2,0,0,0,0|2,0,0]=4 215 B14R0.2 C=CCCOC/C=C(/C)\CCC=C(C)C 34a_100016990311_100000754431 [0,2,0,0,0,0|1,0,0]=3 216 B14R0.2 C=CCCOC/C=C(/C)\CCC=C(C)C 7a_100016990311_100000754431 [0,2,0,0,0,0|1,0,0]=3 217 B14R0.2 C=CCCOC/C=C(\C)/CCC=C(C)C 34a_100011205117_100016991246 [0,2,0,0,0,0|1,0,0]=3 218 B14R0.2 C=CCCSC/C=C(\C)/CCC=C(C)C 62a_100000754431_100016991246 [0,2,0,0,0,0|1,1,0]=4 219 B14R0.2 C=CCCSC/C=C(\C)/CCC=C(C)C 62a_100016991246_100000754431 [0,2,0,0,0,0|1,1,0]=4 220 B14R0.2 CC#CCOC/C=C(/C)\CCC=C(C)C 34a_100016990311_100000748600 [0,2,0,0,0,0|1,0,1]=4 221 B14R0.2 CC#CCOC/C=C(/C)\CCC=C(C)C 7a_100016990311_100000748600 [0,2,0,0,0,0|1,0,1]=4 222 B14R0.2 CC#CCOC/C=C(\C)/CCC=C(C)C 34a_100000761923_100016991246 [0,2,0,0,0,0|1,0,1]=4 223 B14R0.2 CC(=CCC/C(=C/COCCCBr)/C)C 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34a_200020676162_100000070051 [0,2,0,0,0,0|2,0,0]=4 235 B14R0.2 CC=CCOC/C=C(/C)\CCC=C(C)C 34a_100016990311_100000070051 [0,2,0,0,0,0|1,0,0]=3 236 B14R0.2 CC=CCOC/C=C(/C)\CCC=C(C)C 7a_100016990311_100000070051 [0,2,0,0,0,0|1,0,0]=3 237 B14R0.2 CC=CCSC/C=C(\C)/CCC=C(C)C 62a_100000070051_100016991246 [0,2,0,0,0,0|1,1,0]=4 238 B14R0.2 CC=CCSC/C=C(\C)/CCC=C(C)C 62a_100016991246_100000070051 [0,2,0,0,0,0|1,1,0]=4 239 B14R0.2 CCCCOC/C=C(/C)\CCC=C(C)C 34a_100016990311_100000210210 [0,2,0,0,0,0|1,0,1]=4 240 B14R0.2 CCCCOC/C=C(/C)\CCC=C(C)C 7a_100016990311_100000210211 [0,2,0,0,0,0|1,0,1]=4 241 B14R0.2 CCCCOC/C=C(\C)/CCC=C(C)C 34a_100000210227_100016991246 [0,2,0,0,0,0|1,0,1]=4 242 B14R0.2 CCCCOC/C=C(\C)/CCC=C(C)C 7a_100000210227_100016991246 [0,2,0,0,0,0|1,0,1]=4 243 B14R0.2 CCOCSC/C=C(\C)/CCC=C(C)C 62a_100000739092_100016991246 [0,2,0,0,0,0|1,0,1]=4 244 B14R0.2 CCOCSC/C=C(\C)/CCC=C(C)C 62a_100016991246_100000739092 [0,2,0,0,0,0|1,0,1]=4 245 B14R0.2 COCCOC/C=C(/C)\CCC=C(C)C 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C#C[C@@H](C)OC/C=C(\C)/CCC=C(C)C 34a_100009815206_100016991246 [0,2,0,0,0,0|1,0,1]=4 257 B14R0.304 C#C[C@@H](C)OC/C=C(\C)/CCC=C(C)C 7a_100009815206_100016991246 [0,2,0,0,0,0|1,0,1]=4 258 B14R0.304 C=CC(=O)NC/C=C(\C)/CCC=C(C)C 1626a_200020676162_100000185746 [0,2,0,0,0,0|1,0,0]=3 259 B14R0.304 C=CC(=O)OCCC(=O)CCC=C(C)C 1458a_100000065099_100011217483 [0,2,0,0,0,0|1,0,1]=4 260 B14R0.304 C=CC(C)OC/C=C(\C)/CCC=C(C)C 34a_100000695699_100016991246 [0,2,0,0,0,0|1,0,0]=3 261 B14R0.304 C=CC(C)SC/C=C(\C)/CCC=C(C)C 62a_100011215867_100016991246 [0,2,0,0,0,0|1,1,0]=4 262 B14R0.304 CC(=CCC/C(=C/CNC(=O)CO)/C)C 527a_200020676162_100000210174 [0,2,0,0,0,0|1,0,0]=3 263 B14R0.304 CC(=CCC/C(=C/COC(C)C#N)/C)C 34a_100011218135_100016991246 [0,2,0,0,0,0|1,0,1]=4 264 B14R0.304 CC(=CCC/C(=C/COC(C)CF)/C)C 34a_100016041109_100016991246 [0,2,0,0,0,0|1,0,1]=4 265 B14R0.304 CC(=CCC/C(=C/COC(C)CF)/C)C 7a_100016041109_100016991246 [0,2,0,0,0,0|1,0,1]=4 266 B14R0.304 CC(=CCC/C(=C/COC(C)CN)/C)C 34a_100000210904_100016991246 [0,2,0,0,0,0|1,0,1]=4 267 B14R0.304 CC(=CCC/C(=C\COC(C)C#N)/C)C 7a_100016990311_100000703298 [0,2,0,0,0,0|1,0,1]=4 268 B14R0.304 CC(=CCC/C(=C\COC(C)CO)/C)C 34a_100016990311_100012180447 [0,2,0,0,0,0|0,0,2]=4 269 B14R0.304 CC(=CCC/C(=C\COC(C)CO)/C)C 7a_100016990311_100012180447 [0,2,0,0,0,0|0,0,2]=4 270 B14R0.304 CCC(=O)NC/C=C(\C)/CCC=C(C)C 11a_200020676162_100000210414 [0,2,0,0,0,0|1,0,0]=3 271 B14R0.304 CCC(=O)NC/C=C(\C)/CCC=C(C)C 1626a_200020676162_100000210414 [0,2,0,0,0,0|1,0,0]=3 272 B14R0.304 CCC(=O)NC/C=C(\C)/CCC=C(C)C 527a_200020676162_100000210414 [0,2,0,0,0,0|1,0,0]=3 273 B14R0.304 CCC(C)OC/C=C(/C)\CCC=C(C)C 34a_100016990311_100011215416 [0,2,0,0,0,0|1,0,1]=4 274 B14R0.304 CCC(C)OC/C=C(/C)\CCC=C(C)C 7a_100016990311_100000758301 [0,2,0,0,0,0|1,0,1]=4 275 B14R0.304 CCC(C)OC/C=C(\C)/CCC=C(C)C 7a_100000210228_100016991246 [0,2,0,0,0,0|1,0,1]=4 276 B14R0.304 CNC(=O)NC/C=C(\C)/CCC=C(C)C 2708a_100102657272_200020676162 [0,2,0,0,0,0|1,0,0]=3 277 B14R0.304 CNC(=O)NC/C=C(\C)/CCC=C(C)C 2708a_200020676162_106832991635 [0,2,0,0,0,0|1,0,0]=3 278 B14R0.304 CNC(=O)NC/C=C(\C)/CCC=C(C)C 273464a_100102657272_200020676162 [0,2,0,0,0,0|1,0,0]=3 279 B14R0.304 CNC(=O)NC/C=C(\C)/CCC=C(C)C 273464a_200020676162_100102657272 [0,2,0,0,0,0|1,0,0]=3 280 B14R0.304 CNC(=O)NC/C=C(\C)/CCC=C(C)C 512a_106832991638_200020676162 [0,2,0,0,0,0|1,0,0]=3 281 B14R0.304 CNC(=O)NC/C=C(\C)/CCC=C(C)C 512a_200020676162_100102657272 [0,2,0,0,0,0|1,0,0]=3 282 B14R0.431 C=CCC(=O)C/C=C(\C)/CCC=C(C)C 1458a_100000210193_100016991246 [0,2,0,0,0,0|2,0,0]=4 283 B14R0.431 C=CCN(C)C/C=C(\C)/CCC=C(C)C 2230a_100000225617_100016991246 [0,2,0,0,0,0|2,0,0]=4 284 B14R0.431 C=CCN(C)C/C=C(\C)/CCC=C(C)C 269982a_100000225617_100016991246 [0,2,0,0,0,0|2,0,0]=4 285 B14R0.431 CC(=CCC/C(=C/CC(=O)C=CBr)/C)C 1458a_100016273825_100016991246 [0,2,0,0,0,0|2,0,0]=4 286 B14R0.431 CC(=CCC/C(=C/CC(=O)C=CCl)/C)C 1458a_200016279998_100016991246 [0,2,0,0,0,0|2,0,0]=4 287 B14R0.431 CC(=CCC/C(=C/CC(=O)C=CI)/C)C 1458a_100016256311_100016991246 [0,2,0,0,0,0|2,0,0]=4 288 B14R0.431 CC=CC(=O)C/C=C(\C)/CCC=C(C)C 1458a_100000210699_100016991246 [0,2,0,0,0,0|2,0,0]=4 289 B14R0.2691 CC(=CCC/C(=C/CNS(=O)(=O)C)/C)C 40a_200020676162_100000738038 [0,2,0,0,0,0|2,0,0]=4 290 B14R0.2691 CC(=CCC/C(=C/COC(C)(C)C)/C)C 34a_100015890283_100016991246 [0,2,0,0,0,0|1,0,1]=4 291 B14R0.2691 CC(=CCC/C(=C/COC(C)(C)C)/C)C 7a_100015890283_100016991246 [0,2,0,0,0,0|1,0,1]=4 292 B14R0.2691 CC(=CCC/C(=C\COC(C)(C)C)/C)C 34a_100016990311_100000210625 [0,2,0,0,0,0|1,0,1]=4 293 B14R0.2691 CC(=CCC/C(=C\COC(F)(F)F)/C)C 34a_100016990311_200103152311 [0,2,0,0,0,0|1,0,1]=4 294 B14R0.2691 CC(=CCC/C(=C\COC(F)(F)F)/C)C 7a_100016990311_200000243211 [0,2,0,0,0,0|1,0,1]=4 295 B14R0.426 CC(=CCCC(=CC(=O)CC(=O)N)C)C 1458a_100016995320_100000187820 [0,2,0,0,0,0|1,0,1]=4 296 B14R0.426 CC(=CCCC(=CC(=O)CC(=O)[O-])C)C 1458a_100016995320_100020667443 [0,2,0,0,0,0|1,0,1]=4 297 B14R0.222 C=C(C)C(=O)C/C=C(\C)/CCC=C(C)C 1458a_100000185857_100016991246 [0,2,0,0,0,0|2,0,0]=4 298 B12R1.105 CC(=CCCN1CNC(=O)C1)C 2230a_200000708111_100011217483 [1,0,0,1,0,0|2,0,0]=4 299 B12R1.226 CC(=CCN1CCOC(=O)C1)C 2230a_100000131268_100000761012 [0,0,0,1,1,0|1,0,1]=4 300 B14R1.1470 CC(=CCC/C(=C\COC1CC1)/C)C 34a_100016990311_100000211595 [0,1,0,1,0,0|1,0,1]=4 301 B14R1.1456 CC(=O)OC1CN(C1)CCC=C(C)C 269982a_100016994906_100011217483 [0,1,0,1,0,0|1,0,1]=4