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[0,0,0,0,0,0|3,0,0]=3 128 B13R1.27 CCCCNCCC1COS(=O)O1 7a_106832991798_100009840081 [0,0,0,0,0,0|3,0,0]=3 129 B13R1.27 CCCCOCCC1COS(=O)O1 7a_100000210227_100009840081 [0,0,0,0,0,0|3,0,0]=3 130 B13R1.27 CCCCOCCN1CNC(=O)C1 2230a_200000708111_100000743108 [0,0,0,0,0,0|4,0,0]=4 131 B13R1.27 CCCCOCNC1CNC(=O)C1 2230a_100000697751_100011995733 [0,0,0,0,0,0|4,0,0]=4 132 B13R1.27 CCCCOCOC1CCC(=O)C1 34a_100012614533_100011995733 [0,0,0,0,0,0|3,0,0]=3 133 B13R1.27 CCCCOCOC1CNC(=O)C1 34a_100000690082_100011995733 [0,0,0,0,0,0|4,0,0]=4 134 B13R1.27 CCCCOCSC1COC(=O)O1 62a_100011995733_100000032252 [0,0,0,0,0,0|3,0,0]=3 135 B13R1.27 CCCCSCCC1COS(=O)O1 62a_100000210211_100009840081 [0,0,0,0,0,0|3,0,0]=3 136 B13R1.27 CCCOCCNC1CNC(=O)C1 2230a_100000697751_100011215938 [0,0,0,0,0,0|4,0,0]=4 137 B13R1.27 CCCOCCNC1COC(=O)O1 34a_100161115042_100000032252 [0,0,0,0,0,0|3,0,0]=3 138 B13R1.27 CCCOCCOC1CCC(=O)C1 34a_100012614533_100011215938 [0,0,0,0,0,0|3,0,0]=3 139 B13R1.27 CCCOCCOC1CNC(=O)C1 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CCOCCNCC1CNC(=O)O1 2230a_102516460346_100000181169 [0,0,0,0,0,0|3,0,0]=3 152 B13R1.27 CCOCCNCC1CNC(=O)O1 34a_102516460346_100000181169 [0,0,0,0,0,0|3,0,0]=3 153 B13R1.27 CCOCCNCC1COC(=O)O1 34a_102516460346_100000073702 [0,0,0,0,0,0|3,0,0]=3 154 B13R1.27 CCOCCNC[C@@H]1CCC(=O)N1 2230a_102516460346_100015189358 [0,0,0,0,0,0|3,0,0]=3 155 B13R1.27 CCOCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100011215890 [0,0,0,0,0,0|3,0,0]=3 156 B13R1.27 CCOCCNC[C@H]1CCC(=O)N1 34a_100015423886_100000210147 [0,0,0,0,0,0|3,0,0]=3 157 B13R1.27 CCOCCNC[C@H]1COC(=O)N1 2230a_102516460346_100015307671 [0,0,0,0,0,0|4,0,0]=4 158 B13R1.27 CCOCCNC[C@H]1COC(=O)N1 34a_102516460346_100015307671 [0,0,0,0,0,0|4,0,0]=4 159 B13R1.27 CCOCCOCC1CCC(=O)N1 34a_100000737831_100000210147 [0,0,0,0,0,0|3,0,0]=3 160 B13R1.27 CCOCCOCC1CNC(=O)C1 34a_100016041077_100000210147 [0,0,0,0,0,0|4,0,0]=4 161 B13R1.27 CCOCCOCC1CNC(=O)O1 34a_100000210136_100000181169 [0,0,0,0,0,0|3,0,0]=3 162 B13R1.27 CCOCCOCC1CNC(=O)O1 34a_100011315639_100000210147 [0,0,0,0,0,0|3,0,0]=3 163 B13R1.27 CCOCCOCC1CNC(=O)O1 7a_100000210136_100000181169 [0,0,0,0,0,0|3,0,0]=3 164 B13R1.27 CCOCCOCC1COC(=O)O1 34a_100000210136_100000073702 [0,0,0,0,0,0|3,0,0]=3 165 B13R1.27 CCOCCOC[C@@H]1CCC(=O)N1 7a_100000210136_100015189358 [0,0,0,0,0,0|3,0,0]=3 166 B13R1.27 CCOCCOC[C@H]1COC(=O)N1 34a_100000210136_100015307671 [0,0,0,0,0,0|4,0,0]=4 167 B13R1.27 CCOCCOC[C@H]1COC(=O)N1 7a_100000210136_100015307671 [0,0,0,0,0,0|4,0,0]=4 168 B13R1.27 CCOCCSCC1CNC(=O)O1 62a_100000181169_100011215890 [0,0,0,0,0,0|3,0,0]=3 169 B13R1.27 CCOCCSCC1CNC(=O)O1 62a_100000210147_100000181169 [0,0,0,0,0,0|3,0,0]=3 170 B13R1.27 CCOCCSCC1COC(=O)O1 62a_100000073702_100011215890 [0,0,0,0,0,0|3,0,0]=3 171 B13R1.27 CCOCCSCC1COC(=O)O1 62a_100000210147_100000073702 [0,0,0,0,0,0|3,0,0]=3 172 B13R1.27 CCOCCSC[C@@H]1CCC(=O)N1 62a_100000210147_100015189358 [0,0,0,0,0,0|3,0,0]=3 173 B13R1.27 CCOCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100011215890 [0,0,0,0,0,0|3,0,0]=3 174 B13R1.27 CCOCCSC[C@H]1COC(=O)N1 62a_100000210147_100015307671 [0,0,0,0,0,0|4,0,0]=4 175 B13R1.27 CCOCCSC[C@H]1COC(=O)N1 62a_100015307671_100011215890 [0,0,0,0,0,0|4,0,0]=4 176 B13R1.27 CCOCSCCC1COS(=O)O1 62a_100000739092_100009840081 [0,0,0,0,0,0|4,0,0]=4 177 B13R1.27 CCSCCCOC1COC(=O)O1 34a_100011216438_100000032252 [0,0,0,0,0,0|3,0,0]=3 178 B13R1.27 CCSCCNCC1CNC(=O)C1 2230a_100016993742_100000757381 [0,0,0,0,0,0|4,0,0]=4 179 B13R1.27 CCSCCNCC1CNC(=O)C1 34a_100016993742_100000757381 [0,0,0,0,0,0|4,0,0]=4 180 B13R1.27 CCSCCNCC1CNC(=O)O1 2230a_100000106463_100000181169 [0,0,0,0,0,0|3,0,0]=3 181 B13R1.27 CCSCCNC[C@@H]1CCC(=O)N1 2230a_100000106463_100015189358 [0,0,0,0,0,0|3,0,0]=3 182 B13R1.27 CCSCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100000757381 [0,0,0,0,0,0|3,0,0]=3 183 B13R1.27 CCSCCNC[C@H]1CCC(=O)N1 34a_100015423886_100000757381 [0,0,0,0,0,0|3,0,0]=3 184 B13R1.27 CCSCCNC[C@H]1COC(=O)N1 2230a_100000106463_100015307671 [0,0,0,0,0,0|4,0,0]=4 185 B13R1.27 CCSCCOCC1CCC(=O)N1 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CCSCCSCC1COC(=O)O1 62a_100000757381_100000073702 [0,0,0,0,0,0|3,0,0]=3 198 B13R1.27 CCSCCSC[C@@H]1CCC(=O)N1 62a_100000757381_100015189358 [0,0,0,0,0,0|3,0,0]=3 199 B13R1.27 CCSCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000757381 [0,0,0,0,0,0|3,0,0]=3 200 B13R1.27 CCSCCSC[C@H]1COC(=O)N1 62a_100000757381_100015307671 [0,0,0,0,0,0|4,0,0]=4 201 B13R1.27 CCSCCSC[C@H]1COC(=O)N1 62a_100015307671_100000757381 [0,0,0,0,0,0|4,0,0]=4 202 B13R1.27 CNCCCOCC1CNC(=O)O1 34a_100000213112_100000181169 [0,0,0,0,0,0|3,0,0]=3 203 B13R1.27 CNCCCOCC1COC(=O)O1 34a_100000213112_100000073702 [0,0,0,0,0,0|3,0,0]=3 204 B13R1.27 CNCCCOC[C@H]1COC(=O)N1 34a_100000213112_100015307671 [0,0,0,0,0,0|4,0,0]=4 205 B13R1.27 COCCCCNC1CNC(=O)C1 2230a_100000697751_100000730899 [0,0,0,0,0,0|4,0,0]=4 206 B13R1.27 COCCCCOC1CCC(=O)C1 34a_100012614533_100000755781 [0,0,0,0,0,0|3,0,0]=3 207 B13R1.27 COCCCCOC1CNC(=O)C1 34a_100000690082_100000755781 [0,0,0,0,0,0|4,0,0]=4 208 B13R1.27 COCCCCOC1COC(=O)O1 34a_100000740925_100000032252 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34a_100011315639_100000740836 [0,0,0,0,0,0|3,0,0]=3 221 B13R1.27 COCCCOCC1COC(=O)O1 34a_100000740835_100000073702 [0,0,0,0,0,0|3,0,0]=3 222 B13R1.27 COCCCOC[C@H]1COC(=O)N1 34a_100000740835_100015307671 [0,0,0,0,0,0|4,0,0]=4 223 B13R1.27 COCCCSCC1CNC(=O)O1 62a_100000181169_100000709357 [0,0,0,0,0,0|3,0,0]=3 224 B13R1.27 COCCCSCC1CNC(=O)O1 62a_100000709357_100000181169 [0,0,0,0,0,0|3,0,0]=3 225 B13R1.27 COCCCSCC1COC(=O)O1 62a_100000073702_100000709357 [0,0,0,0,0,0|3,0,0]=3 226 B13R1.27 COCCCSCC1COC(=O)O1 62a_100000709357_100000073702 [0,0,0,0,0,0|3,0,0]=3 227 B13R1.27 COCCCSC[C@@H]1CCC(=O)N1 62a_100000709357_100015189358 [0,0,0,0,0,0|3,0,0]=3 228 B13R1.27 COCCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000709357 [0,0,0,0,0,0|3,0,0]=3 229 B13R1.27 COCCCSC[C@H]1COC(=O)N1 62a_100000709357_100015307671 [0,0,0,0,0,0|4,0,0]=4 230 B13R1.27 COCCCSC[C@H]1COC(=O)N1 62a_100015307671_100000709357 [0,0,0,0,0,0|4,0,0]=4 231 B13R1.27 COCCOCSC1COC(=O)O1 62a_100000231047_100000032252 [0,0,0,0,0,0|4,0,0]=4 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7a_100000230434_100009840081 [0,0,0,0,0,0|4,0,0]=4 244 B13R1.27 CSCCSCCC1COS(=O)O1 62a_100000212216_100009840081 [0,0,0,0,0,0|4,0,0]=4 245 B13R1.27 N#CCCCCSC1COC(=O)O1 62a_100011219923_100000032252 [0,0,0,0,0,0|3,0,1]=4 246 B13R1.27 N#CCCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100000687738 [0,0,0,0,0,0|3,0,1]=4 247 B13R1.27 N#CCCCSCC1CNC(=O)O1 62a_100000181169_100000687738 [0,0,0,0,0,0|3,0,1]=4 248 B13R1.27 N#CCCCSCC1CNC(=O)O1 62a_100000687738_100000181169 [0,0,0,0,0,0|3,0,1]=4 249 B13R1.27 N#CCCCSCC1COC(=O)O1 62a_100000073702_100000687738 [0,0,0,0,0,0|3,0,1]=4 250 B13R1.27 N#CCCCSCC1COC(=O)O1 62a_100000687738_100000073702 [0,0,0,0,0,0|3,0,1]=4 251 B13R1.27 N#CCCCSC[C@@H]1CCC(=O)N1 62a_100000687738_100015189358 [0,0,0,0,0,0|3,0,1]=4 252 B13R1.27 N#CCCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000687738 [0,0,0,0,0,0|3,0,1]=4 253 B13R1.27 NCCCCCOC1COC(=O)O1 34a_100000762737_100000032252 [0,0,0,0,0,0|3,0,0]=3 254 B13R1.27 NCCCCOCC1CNC(=O)O1 34a_100000750430_100000181169 [0,0,0,0,0,0|3,0,0]=3 255 B13R1.27 NCCCCOCC1COC(=O)O1 34a_100000750430_100000073702 [0,0,0,0,0,0|3,0,0]=3 256 B13R1.27 NCCCCOC[C@H]1COC(=O)N1 34a_100000750430_100015307671 [0,0,0,0,0,0|4,0,0]=4 257 B13R1.27 NCCOCCOC1COC(=O)O1 34a_100000211614_100000032252 [0,0,0,0,0,0|4,0,0]=4 258 B13R1.27 O=C1CC(CN1)CNCCCCF 2230a_100016993742_100000729493 [0,0,0,0,0,0|4,0,0]=4 259 B13R1.27 O=C1CC(CN1)CNCCCCF 34a_100016993742_100000729493 [0,0,0,0,0,0|4,0,0]=4 260 B13R1.27 O=C1CC(CN1)CNCCCCO 2230a_100016993742_100000210776 [0,0,0,0,0,0|4,0,0]=4 261 B13R1.27 O=C1CC(CN1)CNCCCCO 34a_100016993742_100011216708 [0,0,0,0,0,0|4,0,0]=4 262 B13R1.27 O=C1CC(CN1)COCCCCF 34a_100016041077_100000729493 [0,0,0,0,0,0|4,0,0]=4 263 B13R1.27 O=C1CC(CN1)COCCCCO 34a_100016041077_100011216708 [0,0,0,0,0,0|4,0,0]=4 264 B13R1.27 O=C1CC(CN1)NCCCCCF 2230a_100000697751_100000729378 [0,0,0,0,0,0|4,0,0]=4 265 B13R1.27 O=C1CC(CN1)NCCCCCO 2230a_100000697751_100000746330 [0,0,0,0,0,0|4,0,0]=4 266 B13R1.27 O=C1CC(CN1)OCCCCCF 34a_100000690082_100000729378 [0,0,0,0,0,0|4,0,0]=4 267 B13R1.27 O=C1CC(CN1)OCCCCCO 34a_100000690082_100000746330 [0,0,0,0,0,0|4,0,0]=4 268 B13R1.27 O=C1CCC(C1)OCCCCCF 34a_100012614533_100000729378 [0,0,0,0,0,0|3,0,0]=3 269 B13R1.27 O=C1CCC(C1)OCCCCCO 34a_100012614533_100000746330 [0,0,0,0,0,0|3,0,0]=3 270 B13R1.27 O=C1CCC(C1)OCCOCCO 34a_100012614533_100000692535 [0,0,0,0,0,0|4,0,0]=4 271 B13R1.27 O=C1CCC(N1)COCCCCF 34a_100000737831_100000729493 [0,0,0,0,0,0|3,0,0]=3 272 B13R1.27 O=C1CCC(N1)COCCCCO 34a_100000737831_100011216708 [0,0,0,0,0,0|3,0,0]=3 273 B13R1.27 O=C1CC[C@@H](N1)CNCCCCF 2230a_100015423886_100000729493 [0,0,0,0,0,0|3,0,0]=3 274 B13R1.27 O=C1CC[C@@H](N1)CNCCCCF 34a_100015423886_100000729493 [0,0,0,0,0,0|3,0,0]=3 275 B13R1.27 O=C1CC[C@@H](N1)CNCCCCO 2230a_100015423886_100000210776 [0,0,0,0,0,0|3,0,0]=3 276 B13R1.27 O=C1CC[C@@H](N1)CNCCCCO 34a_100015423886_100011216708 [0,0,0,0,0,0|3,0,0]=3 277 B13R1.27 O=C1CC[C@H](N1)CNCCCCO 2230a_100000750430_100015189358 [0,0,0,0,0,0|3,0,0]=3 278 B13R1.27 O=C1CC[C@H](N1)COCCCCCl 7a_100000210776_100015189358 [0,0,0,0,0,0|3,0,0]=3 279 B13R1.27 O=C1CC[C@H](N1)COCCCCF 7a_100011995726_100015189358 [0,0,0,0,0,0|3,0,0]=3 280 B13R1.27 O=C1CC[C@H](N1)CSCCCCF 62a_100000729493_100015189358 [0,0,0,0,0,0|3,0,0]=3 281 B13R1.27 O=C1CC[C@H](N1)CSCCCCF 62a_100015189358_100000729493 [0,0,0,0,0,0|3,0,0]=3 282 B13R1.27 O=C1CC[C@H](N1)CSCCCCO 62a_100000210776_100015189358 [0,0,0,0,0,0|3,0,0]=3 283 B13R1.27 O=C1CC[C@H](N1)CSCCCCO 62a_100015189358_100000210776 [0,0,0,0,0,0|3,0,0]=3 284 B13R1.27 O=C1CN(CN1)CCCCCCF 2230a_200000708111_100015922095 [0,0,0,0,0,0|4,0,0]=4 285 B13R1.27 O=C1CN(CN1)CCCCCCO 2230a_200000708111_100000766143 [0,0,0,0,0,0|4,0,0]=4 286 B13R1.27 O=C1NCC(O1)CNCCCCO 2230a_100000750430_100000181169 [0,0,0,0,0,0|3,0,0]=3 287 B13R1.27 O=C1NCC(O1)CNCCCCO 34a_100000750430_100000181169 [0,0,0,0,0,0|3,0,0]=3 288 B13R1.27 O=C1NCC(O1)COCCCCBr 34a_100011216708_100000181169 [0,0,0,0,0,0|3,0,0]=3 289 B13R1.27 O=C1NCC(O1)COCCCCCl 34a_100000210776_100000181169 [0,0,0,0,0,0|3,0,0]=3 290 B13R1.27 O=C1NCC(O1)COCCCCCl 7a_100000210776_100000181169 [0,0,0,0,0,0|3,0,0]=3 291 B13R1.27 O=C1NCC(O1)COCCCCF 34a_100011315639_100000729493 [0,0,0,0,0,0|3,0,0]=3 292 B13R1.27 O=C1NCC(O1)COCCCCF 34a_100011995726_100000181169 [0,0,0,0,0,0|3,0,0]=3 293 B13R1.27 O=C1NCC(O1)COCCCCF 7a_100011995726_100000181169 [0,0,0,0,0,0|3,0,0]=3 294 B13R1.27 O=C1NCC(O1)COCCCCI 34a_200012148704_100000181169 [0,0,0,0,0,0|3,0,0]=3 295 B13R1.27 O=C1NCC(O1)COCCCCO 34a_100011315639_100011216708 [0,0,0,0,0,0|3,0,0]=3 296 B13R1.27 O=C1NCC(O1)CSCCCCF 62a_100000181169_100000729493 [0,0,0,0,0,0|3,0,0]=3 297 B13R1.27 O=C1NCC(O1)CSCCCCF 62a_100000729493_100000181169 [0,0,0,0,0,0|3,0,0]=3 298 B13R1.27 O=C1NCC(O1)CSCCCCO 62a_100000181169_100000210776 [0,0,0,0,0,0|3,0,0]=3 299 B13R1.27 O=C1NCC(O1)CSCCCCO 62a_100000210776_100000181169 [0,0,0,0,0,0|3,0,0]=3 300 B13R1.27 O=C1N[C@H](CO1)CNCCCCO 2230a_100000750430_100015307671 [0,0,0,0,0,0|4,0,0]=4 301 B13R1.27 O=C1N[C@H](CO1)CNCCCCO 34a_100000750430_100015307671 [0,0,0,0,0,0|4,0,0]=4 302 B13R1.27 O=C1N[C@H](CO1)COCCCCBr 34a_100011216708_100015307671 [0,0,0,0,0,0|4,0,0]=4 303 B13R1.27 O=C1N[C@H](CO1)COCCCCCl 34a_100000210776_100015307671 [0,0,0,0,0,0|4,0,0]=4 304 B13R1.27 O=C1N[C@H](CO1)COCCCCCl 7a_100000210776_100015307671 [0,0,0,0,0,0|4,0,0]=4 305 B13R1.27 O=C1N[C@H](CO1)COCCCCF 34a_100011995726_100015307671 [0,0,0,0,0,0|4,0,0]=4 306 B13R1.27 O=C1N[C@H](CO1)COCCCCF 7a_100011995726_100015307671 [0,0,0,0,0,0|4,0,0]=4 307 B13R1.27 O=C1N[C@H](CO1)COCCCCI 34a_200012148704_100015307671 [0,0,0,0,0,0|4,0,0]=4 308 B13R1.27 O=C1N[C@H](CO1)CSCCCCF 62a_100000729493_100015307671 [0,0,0,0,0,0|4,0,0]=4 309 B13R1.27 O=C1N[C@H](CO1)CSCCCCF 62a_100015307671_100000729493 [0,0,0,0,0,0|4,0,0]=4 310 B13R1.27 O=C1N[C@H](CO1)CSCCCCO 62a_100000210776_100015307671 [0,0,0,0,0,0|4,0,0]=4 311 B13R1.27 O=C1N[C@H](CO1)CSCCCCO 62a_100015307671_100000210776 [0,0,0,0,0,0|4,0,0]=4 312 B13R1.27 O=C1OCC(O1)CNCCCCO 34a_100000750430_100000073702 [0,0,0,0,0,0|3,0,0]=3 313 B13R1.27 O=C1OCC(O1)COCCCCBr 34a_100011216708_100000073702 [0,0,0,0,0,0|3,0,0]=3 314 B13R1.27 O=C1OCC(O1)COCCCCCl 34a_100000210776_100000073702 [0,0,0,0,0,0|3,0,0]=3 315 B13R1.27 O=C1OCC(O1)COCCCCF 34a_100011995726_100000073702 [0,0,0,0,0,0|3,0,0]=3 316 B13R1.27 O=C1OCC(O1)COCCCCI 34a_200012148704_100000073702 [0,0,0,0,0,0|3,0,0]=3 317 B13R1.27 O=C1OCC(O1)CSCCCCF 62a_100000073702_100000729493 [0,0,0,0,0,0|3,0,0]=3 318 B13R1.27 O=C1OCC(O1)CSCCCCF 62a_100000729493_100000073702 [0,0,0,0,0,0|3,0,0]=3 319 B13R1.27 O=C1OCC(O1)CSCCCCO 62a_100000073702_100000210776 [0,0,0,0,0,0|3,0,0]=3 320 B13R1.27 O=C1OCC(O1)CSCCCCO 62a_100000210776_100000073702 [0,0,0,0,0,0|3,0,0]=3 321 B13R1.27 O=C1OCC(O1)NCCCCCO 34a_100000762737_100000032252 [0,0,0,0,0,0|3,0,0]=3 322 B13R1.27 O=C1OCC(O1)NCCOCCO 34a_100000211614_100000032252 [0,0,0,0,0,0|4,0,0]=4 323 B13R1.27 O=C1OCC(O1)OCCCCCBr 34a_100000746331_100000032252 [0,0,0,0,0,0|3,0,0]=3 324 B13R1.27 O=C1OCC(O1)OCCCCCCl 34a_100000746330_100000032252 [0,0,0,0,0,0|3,0,0]=3 325 B13R1.27 O=C1OCC(O1)OCCCCCI 34a_200012148887_100000032252 [0,0,0,0,0,0|3,0,0]=3 326 B13R1.27 O=C1OCC(O1)OCCOCCBr 34a_100000692535_100000032252 [0,0,0,0,0,0|4,0,0]=4 327 B13R1.27 O=C1OCC(O1)OCCOCCCl 34a_100011215305_100000032252 [0,0,0,0,0,0|4,0,0]=4 328 B13R1.27 O=C1OCC(O1)OCCOCCF 34a_200015357709_100000032252 [0,0,0,0,0,0|4,0,0]=4 329 B13R1.27 O=C1OCC(O1)OCCOCCI 34a_100012149058_100000032252 [0,0,0,0,0,0|4,0,0]=4 330 B13R1.27 O=C1OCC(O1)SCCCCCF 62a_100000729378_100000032252 [0,0,0,0,0,0|3,0,0]=3 331 B13R1.27 O=C1OCC(O1)SCCCCCO 62a_100000746330_100000032252 [0,0,0,0,0,0|3,0,0]=3 332 B13R1.27 O=C1OCC(O1)SCCOCCO 62a_100011215305_100000032252 [0,0,0,0,0,0|4,0,0]=4 333 B13R1.27 O=CCCCCSC1COC(=O)O1 62a_100000139335_100000032252 [0,0,0,0,0,0|3,0,1]=4 334 B13R1.27 O=CCCCNC[C@H]1CCC(=O)N1 2230a_100015423886_200011292268 [0,0,0,0,0,0|3,0,1]=4 335 B13R1.27 O=CCCCSCC1CNC(=O)O1 62a_100000181169_200011292268 [0,0,0,0,0,0|3,0,1]=4 336 B13R1.27 O=CCCCSCC1CNC(=O)O1 62a_200011292268_100000181169 [0,0,0,0,0,0|3,0,1]=4 337 B13R1.27 O=CCCCSCC1COC(=O)O1 62a_100000073702_200011292268 [0,0,0,0,0,0|3,0,1]=4 338 B13R1.27 O=CCCCSCC1COC(=O)O1 62a_200011292268_100000073702 [0,0,0,0,0,0|3,0,1]=4 339 B13R1.27 O=CCCCSC[C@@H]1CCC(=O)N1 62a_100015189358_200011292268 [0,0,0,0,0,0|3,0,1]=4 340 B13R1.27 O=CCCCSC[C@@H]1CCC(=O)N1 62a_200011292268_100015189358 [0,0,0,0,0,0|3,0,1]=4 341 B13R1.27 O=S1OCC(O1)CCSCCCF 62a_100011934791_100009840081 [0,0,0,0,0,0|4,0,0]=4 342 B13R1.27 O=S1OCC(O1)CCSCCCO 62a_100011215043_100009840081 [0,0,0,0,0,0|4,0,0]=4 343 B12R1.7 CCCCCCN1CNC(=O)C1 2230a_200000708111_100000210314 [1,0,0,0,0,0|3,0,0]=4 344 B12R1.7 CCCCCNC1CNC(=O)C1 2230a_100000697751_100000210326 [1,0,0,0,0,0|3,0,0]=4 345 B12R1.7 CCCCCOC1CCC(=O)C1 34a_100012614533_100000718602 [1,0,0,0,0,0|2,0,0]=3 346 B12R1.7 CCCCCOC1CNC(=O)C1 34a_100000690082_100000718602 [1,0,0,0,0,0|3,0,0]=4 347 B12R1.7 CCCCCOC1COC(=O)O1 34a_100000210253_100000032252 [1,0,0,0,0,0|2,0,0]=3 348 B12R1.7 CCCCCSC1COC(=O)O1 62a_100000210326_100000032252 [1,0,0,0,0,0|2,0,0]=3 349 B12R1.7 CCCCNCC1CNC(=O)C1 2230a_100016993742_100000210211 [1,0,0,0,0,0|3,0,0]=4 350 B12R1.7 CCCCNCC1CNC(=O)C1 34a_100016993742_100000210210 [1,0,0,0,0,0|3,0,0]=4 351 B12R1.7 CCCCNCC1CNC(=O)O1 2230a_100000102301_100000181169 [1,0,0,0,0,0|2,0,0]=3 352 B12R1.7 CCCCNCC1CNC(=O)O1 7a_106832991798_100000181169 [1,0,0,0,0,0|2,0,0]=3 353 B12R1.7 CCCCNC[C@@H]1CCC(=O)N1 2230a_100000102301_100015189358 [1,0,0,0,0,0|2,0,0]=3 354 B12R1.7 CCCCNC[C@@H]1CCC(=O)N1 7a_106832991798_100015189358 [1,0,0,0,0,0|2,0,0]=3 355 B12R1.7 CCCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100000210211 [1,0,0,0,0,0|2,0,0]=3 356 B12R1.7 CCCCNC[C@H]1CCC(=O)N1 34a_100015423886_100000210210 [1,0,0,0,0,0|2,0,0]=3 357 B12R1.7 CCCCNC[C@H]1COC(=O)N1 2230a_100000102301_100015307671 [1,0,0,0,0,0|3,0,0]=4 358 B12R1.7 CCCCNC[C@H]1COC(=O)N1 7a_106832991798_100015307671 [1,0,0,0,0,0|3,0,0]=4 359 B12R1.7 CCCCOCC1CCC(=O)N1 34a_100000737831_100000210210 [1,0,0,0,0,0|2,0,0]=3 360 B12R1.7 CCCCOCC1CNC(=O)C1 34a_100016041077_100000210210 [1,0,0,0,0,0|3,0,0]=4 361 B12R1.7 CCCCOCC1CNC(=O)O1 34a_100000210227_100000181169 [1,0,0,0,0,0|2,0,0]=3 362 B12R1.7 CCCCOCC1CNC(=O)O1 34a_100011315639_100000210210 [1,0,0,0,0,0|2,0,0]=3 363 B12R1.7 CCCCOCC1CNC(=O)O1 7a_100000210227_100000181169 [1,0,0,0,0,0|2,0,0]=3 364 B12R1.7 CCCCOCC1COC(=O)O1 34a_100000210227_100000073702 [1,0,0,0,0,0|2,0,0]=3 365 B12R1.7 CCCCOC[C@@H]1CCC(=O)N1 7a_100000210227_100015189358 [1,0,0,0,0,0|2,0,0]=3 366 B12R1.7 CCCCOC[C@H]1COC(=O)N1 34a_100000210227_100015307671 [1,0,0,0,0,0|3,0,0]=4 367 B12R1.7 CCCCOC[C@H]1COC(=O)N1 7a_100000210227_100015307671 [1,0,0,0,0,0|3,0,0]=4 368 B12R1.7 CCCCSCC1CNC(=O)O1 62a_100000181169_100000210210 [1,0,0,0,0,0|2,0,0]=3 369 B12R1.7 CCCCSCC1CNC(=O)O1 62a_100000210211_100000181169 [1,0,0,0,0,0|2,0,0]=3 370 B12R1.7 CCCCSCC1COC(=O)O1 62a_100000073702_100000210210 [1,0,0,0,0,0|2,0,0]=3 371 B12R1.7 CCCCSCC1COC(=O)O1 62a_100000210211_100000073702 [1,0,0,0,0,0|2,0,0]=3 372 B12R1.7 CCCCSC[C@@H]1CCC(=O)N1 62a_100000210211_100015189358 [1,0,0,0,0,0|2,0,0]=3 373 B12R1.7 CCCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000210210 [1,0,0,0,0,0|2,0,0]=3 374 B12R1.7 CCCCSC[C@H]1COC(=O)N1 62a_100000210211_100015307671 [1,0,0,0,0,0|3,0,0]=4 375 B12R1.7 CCCCSC[C@H]1COC(=O)N1 62a_100015307671_100000210210 [1,0,0,0,0,0|3,0,0]=4 376 B12R1.7 CCCSCCC1COS(=O)O1 62a_100000210303_100009840081 [1,0,0,0,0,0|3,0,0]=4 377 B12R1.7 CCOCCNC1COC(=O)O1 34a_102516460346_100000032252 [1,0,0,0,0,0|3,0,0]=4 378 B12R1.7 CCOCCOC1CCC(=O)C1 34a_100012614533_100000210147 [1,0,0,0,0,0|3,0,0]=4 379 B12R1.7 CCOCCOC1COC(=O)O1 34a_100000210136_100000032252 [1,0,0,0,0,0|3,0,0]=4 380 B12R1.7 CCOCCSC1COC(=O)O1 62a_100000210147_100000032252 [1,0,0,0,0,0|3,0,0]=4 381 B12R1.7 CCOCSCC1CNC(=O)O1 62a_100000181169_100000739092 [1,0,0,0,0,0|3,0,0]=4 382 B12R1.7 CCOCSCC1CNC(=O)O1 62a_100000739092_100000181169 [1,0,0,0,0,0|3,0,0]=4 383 B12R1.7 CCOCSCC1COC(=O)O1 62a_100000073702_100000739092 [1,0,0,0,0,0|3,0,0]=4 384 B12R1.7 CCOCSCC1COC(=O)O1 62a_100000739092_100000073702 [1,0,0,0,0,0|3,0,0]=4 385 B12R1.7 CCOCSC[C@@H]1CCC(=O)N1 62a_100000739092_100015189358 [1,0,0,0,0,0|3,0,0]=4 386 B12R1.7 CCOCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000739092 [1,0,0,0,0,0|3,0,0]=4 387 B12R1.7 CCSCCOC1CCC(=O)C1 34a_100012614533_100000757381 [1,0,0,0,0,0|3,0,0]=4 388 B12R1.7 CCSCCOC1COC(=O)O1 34a_100000212035_100000032252 [1,0,0,0,0,0|3,0,0]=4 389 B12R1.7 CCSCCSC1COC(=O)O1 62a_100000757381_100000032252 [1,0,0,0,0,0|3,0,0]=4 390 B12R1.7 CNCCCOC1COC(=O)O1 34a_100000213112_100000032252 [1,0,0,0,0,0|3,0,0]=4 391 B12R1.7 COCCCNC1COC(=O)O1 34a_100150723488_100000032252 [1,0,0,0,0,0|3,0,0]=4 392 B12R1.7 COCCCOC1CCC(=O)C1 34a_100012614533_100000740836 [1,0,0,0,0,0|3,0,0]=4 393 B12R1.7 COCCCOC1COC(=O)O1 34a_100000740835_100000032252 [1,0,0,0,0,0|3,0,0]=4 394 B12R1.7 COCCCSC1COC(=O)O1 62a_100000709357_100000032252 [1,0,0,0,0,0|3,0,0]=4 395 B12R1.7 COCCNCC1CNC(=O)O1 2230a_100000209980_100000181169 [1,0,0,0,0,0|3,0,0]=4 396 B12R1.7 COCCNC[C@@H]1CCC(=O)N1 2230a_100000209980_100015189358 [1,0,0,0,0,0|3,0,0]=4 397 B12R1.7 COCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100011201679 [1,0,0,0,0,0|3,0,0]=4 398 B12R1.7 COCCNC[C@H]1CCC(=O)N1 34a_100015423886_100011201679 [1,0,0,0,0,0|3,0,0]=4 399 B12R1.7 COCCOCC1CCC(=O)N1 34a_100000737831_100011201679 [1,0,0,0,0,0|3,0,0]=4 400 B12R1.7 COCCOCC1CNC(=O)O1 34a_100000210237_100000181169 [1,0,0,0,0,0|3,0,0]=4 401 B12R1.7 COCCOCC1CNC(=O)O1 34a_100011315639_100011201679 [1,0,0,0,0,0|3,0,0]=4 402 B12R1.7 COCCOCC1COC(=O)O1 34a_100000210237_100000073702 [1,0,0,0,0,0|3,0,0]=4 403 B12R1.7 COCCSCC1CNC(=O)O1 62a_100000181169_100000233755 [1,0,0,0,0,0|3,0,0]=4 404 B12R1.7 COCCSCC1CNC(=O)O1 62a_100000233755_100000181169 [1,0,0,0,0,0|3,0,0]=4 405 B12R1.7 COCCSCC1COC(=O)O1 62a_100000073702_100000233755 [1,0,0,0,0,0|3,0,0]=4 406 B12R1.7 COCCSCC1COC(=O)O1 62a_100000233755_100000073702 [1,0,0,0,0,0|3,0,0]=4 407 B12R1.7 COCCSC[C@@H]1CCC(=O)N1 62a_100000233755_100015189358 [1,0,0,0,0,0|3,0,0]=4 408 B12R1.7 COCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000233755 [1,0,0,0,0,0|3,0,0]=4 409 B12R1.7 CSCCCOC1COC(=O)O1 34a_100000690336_100000032252 [1,0,0,0,0,0|3,0,0]=4 410 B12R1.7 CSCCNCC1CNC(=O)O1 2230a_100020590264_100000181169 [1,0,0,0,0,0|3,0,0]=4 411 B12R1.7 CSCCNC[C@@H]1CCC(=O)N1 2230a_100020590264_100015189358 [1,0,0,0,0,0|3,0,0]=4 412 B12R1.7 CSCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100000751147 [1,0,0,0,0,0|3,0,0]=4 413 B12R1.7 CSCCNC[C@H]1CCC(=O)N1 34a_100015423886_100000212216 [1,0,0,0,0,0|3,0,0]=4 414 B12R1.7 CSCCOCC1CCC(=O)N1 34a_100000737831_100000212216 [1,0,0,0,0,0|3,0,0]=4 415 B12R1.7 CSCCOCC1CNC(=O)O1 34a_100000230434_100000181169 [1,0,0,0,0,0|3,0,0]=4 416 B12R1.7 CSCCOCC1CNC(=O)O1 34a_100011315639_100000212216 [1,0,0,0,0,0|3,0,0]=4 417 B12R1.7 CSCCOCC1CNC(=O)O1 7a_100000230434_100000181169 [1,0,0,0,0,0|3,0,0]=4 418 B12R1.7 CSCCOCC1COC(=O)O1 34a_100000230434_100000073702 [1,0,0,0,0,0|3,0,0]=4 419 B12R1.7 CSCCOC[C@@H]1CCC(=O)N1 7a_100000230434_100015189358 [1,0,0,0,0,0|3,0,0]=4 420 B12R1.7 CSCCSCC1CNC(=O)O1 62a_100000181169_100000751147 [1,0,0,0,0,0|3,0,0]=4 421 B12R1.7 CSCCSCC1CNC(=O)O1 62a_100000212216_100000181169 [1,0,0,0,0,0|3,0,0]=4 422 B12R1.7 CSCCSCC1COC(=O)O1 62a_100000073702_100000751147 [1,0,0,0,0,0|3,0,0]=4 423 B12R1.7 CSCCSCC1COC(=O)O1 62a_100000212216_100000073702 [1,0,0,0,0,0|3,0,0]=4 424 B12R1.7 CSCCSC[C@@H]1CCC(=O)N1 62a_100000212216_100015189358 [1,0,0,0,0,0|3,0,0]=4 425 B12R1.7 CSCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000751147 [1,0,0,0,0,0|3,0,0]=4 426 B12R1.7 NCCCCOC1COC(=O)O1 34a_100000750430_100000032252 [1,0,0,0,0,0|3,0,0]=4 427 B12R1.7 NCCCOCC1CNC(=O)O1 34a_100000182051_100000181169 [1,0,0,0,0,0|3,0,0]=4 428 B12R1.7 NCCCOCC1COC(=O)O1 34a_100000182051_100000073702 [1,0,0,0,0,0|3,0,0]=4 429 B12R1.7 O=C1CCC(C1)OCCCCF 34a_100012614533_100000729493 [1,0,0,0,0,0|3,0,0]=4 430 B12R1.7 O=C1CCC(C1)OCCCCO 34a_100012614533_100011216708 [1,0,0,0,0,0|3,0,0]=4 431 B12R1.7 O=C1CCC(N1)COCCCF 34a_100000737831_100011934791 [1,0,0,0,0,0|3,0,0]=4 432 B12R1.7 O=C1CCC(N1)COCCCO 34a_100000737831_100000230001 [1,0,0,0,0,0|3,0,0]=4 433 B12R1.7 O=C1CC[C@@H](N1)CNCCCF 2230a_100015423886_100011934791 [1,0,0,0,0,0|3,0,0]=4 434 B12R1.7 O=C1CC[C@@H](N1)CNCCCF 34a_100015423886_100011934791 [1,0,0,0,0,0|3,0,0]=4 435 B12R1.7 O=C1CC[C@@H](N1)CNCCCO 2230a_100015423886_100000230001 [1,0,0,0,0,0|3,0,0]=4 436 B12R1.7 O=C1CC[C@@H](N1)CNCCCO 34a_100015423886_100000230001 [1,0,0,0,0,0|3,0,0]=4 437 B12R1.7 O=C1CC[C@H](N1)CNCCCF 2230a_100015189416_100015189358 [1,0,0,0,0,0|3,0,0]=4 438 B12R1.7 O=C1CC[C@H](N1)CSCCCF 62a_100011934791_100015189358 [1,0,0,0,0,0|3,0,0]=4 439 B12R1.7 O=C1CC[C@H](N1)CSCCCF 62a_100015189358_100011934791 [1,0,0,0,0,0|3,0,0]=4 440 B12R1.7 O=C1CC[C@H](N1)CSCCCO 62a_100011215043_100015189358 [1,0,0,0,0,0|3,0,0]=4 441 B12R1.7 O=C1CC[C@H](N1)CSCCCO 62a_100015189358_100011215043 [1,0,0,0,0,0|3,0,0]=4 442 B12R1.7 O=C1NCC(O1)CNCCCF 2230a_100015189416_100000181169 [1,0,0,0,0,0|3,0,0]=4 443 B12R1.7 O=C1NCC(O1)CNCCCF 34a_100015189416_100000181169 [1,0,0,0,0,0|3,0,0]=4 444 B12R1.7 O=C1NCC(O1)COCCCBr 34a_100011217188_100000181169 [1,0,0,0,0,0|3,0,0]=4 445 B12R1.7 O=C1NCC(O1)COCCCCl 34a_100000230001_100000181169 [1,0,0,0,0,0|3,0,0]=4 446 B12R1.7 O=C1NCC(O1)COCCCF 34a_100000759539_100000181169 [1,0,0,0,0,0|3,0,0]=4 447 B12R1.7 O=C1NCC(O1)COCCCF 34a_100011315639_100011934791 [1,0,0,0,0,0|3,0,0]=4 448 B12R1.7 O=C1NCC(O1)COCCCO 34a_100011315639_100000230001 [1,0,0,0,0,0|3,0,0]=4 449 B12R1.7 O=C1NCC(O1)CSCCCF 62a_100000181169_100011934791 [1,0,0,0,0,0|3,0,0]=4 450 B12R1.7 O=C1NCC(O1)CSCCCF 62a_100011934791_100000181169 [1,0,0,0,0,0|3,0,0]=4 451 B12R1.7 O=C1NCC(O1)CSCCCO 62a_100000181169_100011215043 [1,0,0,0,0,0|3,0,0]=4 452 B12R1.7 O=C1NCC(O1)CSCCCO 62a_100011215043_100000181169 [1,0,0,0,0,0|3,0,0]=4 453 B12R1.7 O=C1OCC(O1)CNCCCF 34a_100015189416_100000073702 [1,0,0,0,0,0|3,0,0]=4 454 B12R1.7 O=C1OCC(O1)COCCCBr 34a_100011217188_100000073702 [1,0,0,0,0,0|3,0,0]=4 455 B12R1.7 O=C1OCC(O1)COCCCCl 34a_100000230001_100000073702 [1,0,0,0,0,0|3,0,0]=4 456 B12R1.7 O=C1OCC(O1)COCCCF 34a_100000759539_100000073702 [1,0,0,0,0,0|3,0,0]=4 457 B12R1.7 O=C1OCC(O1)CSCCCF 62a_100000073702_100011934791 [1,0,0,0,0,0|3,0,0]=4 458 B12R1.7 O=C1OCC(O1)CSCCCF 62a_100011934791_100000073702 [1,0,0,0,0,0|3,0,0]=4 459 B12R1.7 O=C1OCC(O1)CSCCCO 62a_100000073702_100011215043 [1,0,0,0,0,0|3,0,0]=4 460 B12R1.7 O=C1OCC(O1)CSCCCO 62a_100011215043_100000073702 [1,0,0,0,0,0|3,0,0]=4 461 B12R1.7 O=C1OCC(O1)NCCCCO 34a_100000750430_100000032252 [1,0,0,0,0,0|3,0,0]=4 462 B12R1.7 O=C1OCC(O1)OCCCCBr 34a_100011216708_100000032252 [1,0,0,0,0,0|3,0,0]=4 463 B12R1.7 O=C1OCC(O1)OCCCCCl 34a_100000210776_100000032252 [1,0,0,0,0,0|3,0,0]=4 464 B12R1.7 O=C1OCC(O1)OCCCCF 34a_100011995726_100000032252 [1,0,0,0,0,0|3,0,0]=4 465 B12R1.7 O=C1OCC(O1)OCCCCI 34a_200012148704_100000032252 [1,0,0,0,0,0|3,0,0]=4 466 B12R1.7 O=C1OCC(O1)SCCCCF 62a_100000729493_100000032252 [1,0,0,0,0,0|3,0,0]=4 467 B12R1.7 O=C1OCC(O1)SCCCCO 62a_100000210776_100000032252 [1,0,0,0,0,0|3,0,0]=4 468 B12R1.37 CCCCCCCN1CC=CC1 269982a_100015195280_100000210681 [1,0,0,0,0,0|2,0,1]=4 469 B12R1.37 CCCCCCCN1CCCC1 2230a_100000188435_100000210681 [1,0,0,0,0,0|2,0,1]=4 470 B12R1.37 CCCCCCCN1CCCC1 269982a_100000188435_100000210681 [1,0,0,0,0,0|2,0,1]=4 471 B12R1.37 CCCCCCCN1CCSC1 2230a_100011215254_100000210681 [1,0,0,0,0,0|3,0,0]=4 472 B12R1.37 CCCCCCCN1CCSC1 269982a_100011215254_100000210681 [1,0,0,0,0,0|3,0,0]=4 473 B12R1.37 CCCCCCNC1CC=CC1 2230a_100015188752_100000210314 [1,0,0,0,0,0|2,0,1]=4 474 B12R1.37 CCCCCCNC1CCCC1 2230a_100000210581_100000179811 [1,0,0,0,0,0|2,0,1]=4 475 B12R1.37 CCCCCCNC1CCCC1 2230a_100000211070_100000210314 [1,0,0,0,0,0|2,0,1]=4 476 B12R1.37 CCCCCCNC1CCCC1 270004a_100000210581_100000210133 [1,0,0,0,0,0|2,0,1]=4 477 B12R1.37 CCCCCCNC1CCCC1 34a_100000211070_100000210314 [1,0,0,0,0,0|2,0,1]=4 478 B12R1.37 CCCCCCNC1CCOC1 2230a_100000210581_100000731011 [1,0,0,0,0,0|3,0,0]=4 479 B12R1.37 CCCCCCNC1CCOC1 270004a_100000210581_100000752484 [1,0,0,0,0,0|3,0,0]=4 480 B12R1.37 CCCCCCNC1CCSC1 270004a_100000210581_100000212027 [1,0,0,0,0,0|3,0,0]=4 481 B12R1.37 CCCCCCN[C@@H]1CCOC1 2230a_200015188469_100000210314 [1,0,0,0,0,0|3,0,0]=4 482 B12R1.37 CCCCCCN[C@H]1CCOC1 2230a_100015188467_100000210314 [1,0,0,0,0,0|3,0,0]=4 483 B12R1.37 CCCCCCN[C@H]1CCOC1 34a_100015188467_100000210314 [1,0,0,0,0,0|3,0,0]=4 484 B12R1.37 CCCCCCOC1CCCC1 34a_100000210259_100000179811 [1,0,0,0,0,0|2,0,1]=4 485 B12R1.37 CCCCCCOC1CCCC1 34a_100000210269_100000210314 [1,0,0,0,0,0|2,0,1]=4 486 B12R1.37 CCCCCCOC1CCCC1 7a_100000210259_100000179811 [1,0,0,0,0,0|2,0,1]=4 487 B12R1.37 CCCCCCOC1CCCC1 7a_100000210269_100000210314 [1,0,0,0,0,0|2,0,1]=4 488 B12R1.37 CCCCCCOC1CCCO1 34a_100000085407_100000210314 [1,0,0,0,0,0|1,0,1]=3 489 B12R1.37 CCCCCCOC1CCOC1 34a_100000210259_100000690089 [1,0,0,0,0,0|3,0,0]=4 490 B12R1.37 CCCCCCOC1CCOC1 7a_100000210259_100000731011 [1,0,0,0,0,0|3,0,0]=4 491 B12R1.37 CCCCCCOC1CCSC1 7a_100011232664_100000210314 [1,0,0,0,0,0|3,0,0]=4 492 B12R1.37 CCCCCCO[C@H]1CCOC1 34a_100000717292_100000210314 [1,0,0,0,0,0|3,0,0]=4 493 B12R1.37 CCCCCCSC1CCCC1 62a_100000210314_100000179811 [1,0,0,0,0,0|2,0,1]=4 494 B12R1.37 CCCCCCSC1CCCC1 62a_100011217020_100000210757 [1,0,0,0,0,0|2,0,1]=4 495 B12R1.37 CCCCCCSC1CCOC1 62a_100000210314_100000690089 [1,0,0,0,0,0|3,0,0]=4 496 B12R1.37 CCCCCNCC1CCCC1 2230a_100000209983_100000740388 [1,0,0,0,0,0|2,0,1]=4 497 B12R1.37 CCCCCNCC1CCCC1 2230a_100000737975_100000210326 [1,0,0,0,0,0|2,0,1]=4 498 B12R1.37 CCCCCNCC1CCCC1 269862a_100000209983_100000746403 [1,0,0,0,0,0|2,0,1]=4 499 B12R1.37 CCCCCNCC1CCCC1 34a_100000737975_100000718602 [1,0,0,0,0,0|2,0,1]=4 500 B12R1.37 CCCCCNCC1CCCO1 2230a_100000209983_100000203698 [1,0,0,0,0,0|1,0,1]=3 501 B12R1.37 CCCCCNCC1CCOC1 2230a_100000209983_100000702531 [1,0,0,0,0,0|3,0,0]=4 502 B12R1.37 CCCCCNCC1CCOC1 2230a_100000737293_100000210326 [1,0,0,0,0,0|3,0,0]=4 503 B12R1.37 CCCCCNCC1CCOC1 34a_100000737293_100000718602 [1,0,0,0,0,0|3,0,0]=4 504 B12R1.37 CCCCCNCC1OCCO1 2230a_100000036311_100000210326 [1,0,0,0,0,0|2,0,1]=4 505 B12R1.37 CCCCCNCC1OCCO1 2230a_100000209983_100000755774 [1,0,0,0,0,0|2,0,1]=4 506 B12R1.37 CCCCCNCC1OCCO1 34a_100000036311_100000718602 [1,0,0,0,0,0|2,0,1]=4 507 B12R1.37 CCCCCNC[C@@H]1CCCO1 2230a_100020590478_100000210326 [1,0,0,0,0,0|1,0,1]=3 508 B12R1.37 CCCCCNC[C@@H]1CCCO1 34a_100020590478_100000718602 [1,0,0,0,0,0|1,0,1]=3 509 B12R1.37 CCCCCOCC1CC=CC1 34a_100000688395_100000718602 [1,0,0,0,0,0|2,0,1]=4 510 B12R1.37 CCCCCOCC1CCCC1 34a_100000210253_100000740388 [1,0,0,0,0,0|2,0,1]=4 511 B12R1.37 CCCCCOCC1CCCC1 34a_100000742336_100000718602 [1,0,0,0,0,0|2,0,1]=4 512 B12R1.37 CCCCCOCC1CCCC1 7a_100000210253_100000740388 [1,0,0,0,0,0|2,0,1]=4 513 B12R1.37 CCCCCOCC1CCCC1 7a_100000742336_100000210326 [1,0,0,0,0,0|2,0,1]=4 514 B12R1.37 CCCCCOCC1CCCO1 34a_100000210270_100000718602 [1,0,0,0,0,0|1,0,1]=3 515 B12R1.37 CCCCCOCC1CCCO1 7a_100000210253_100000203698 [1,0,0,0,0,0|1,0,1]=3 516 B12R1.37 CCCCCOCC1CCCO1 7a_100000210270_100000210326 [1,0,0,0,0,0|1,0,1]=3 517 B12R1.37 CCCCCOCC1CCNC1 34a_100000748654_100000718602 [1,0,0,0,0,0|3,0,0]=4 518 B12R1.37 CCCCCOCC1CCOC1 34a_100000210253_100011261433 [1,0,0,0,0,0|3,0,0]=4 519 B12R1.37 CCCCCOCC1CCOC1 34a_100000740260_100000718602 [1,0,0,0,0,0|3,0,0]=4 520 B12R1.37 CCCCCOCC1CCOC1 7a_100000210253_100000702531 [1,0,0,0,0,0|3,0,0]=4 521 B12R1.37 CCCCCOCC1COCO1 34a_100011216627_100000718602 [1,0,0,0,0,0|2,0,1]=4 522 B12R1.37 CCCCCOCC1OCCO1 34a_100000087154_100000718602 [1,0,0,0,0,0|2,0,1]=4 523 B12R1.37 CCCCCOCC1OCCO1 34a_100000210253_100000755774 [1,0,0,0,0,0|2,0,1]=4 524 B12R1.37 CCCCCOCC1OCCO1 7a_100000210253_100000755774 [1,0,0,0,0,0|2,0,1]=4 525 B12R1.37 CCCCCOC[C@H]1CCCN1 34a_100000745186_100000718602 [1,0,0,0,0,0|2,0,1]=4 526 B12R1.37 CCCCCSCC1CCCC1 62a_100000210326_100000740388 [1,0,0,0,0,0|2,0,1]=4 527 B12R1.37 CCCCCSCC1CCCC1 62a_100000740388_100000210326 [1,0,0,0,0,0|2,0,1]=4 528 B12R1.37 CCCCCSCC1CCCO1 62a_100000203698_100000210326 [1,0,0,0,0,0|1,0,1]=3 529 B12R1.37 CCCCCSCC1CCCO1 62a_100000210326_100000203698 [1,0,0,0,0,0|1,0,1]=3 530 B12R1.37 CCCCCSCC1CCOC1 62a_100000210326_100000702531 [1,0,0,0,0,0|3,0,0]=4 531 B12R1.37 CCCCCSCC1CCOC1 62a_100000702531_100000210326 [1,0,0,0,0,0|3,0,0]=4 532 B12R1.37 CCCCCSCC1OCCO1 62a_100000210326_100000755774 [1,0,0,0,0,0|2,0,1]=4 533 B12R1.37 CCCCCSCC1OCCO1 62a_100000755774_100000210326 [1,0,0,0,0,0|2,0,1]=4 534 B12R1.37 CCCCNCCC1CCCC1 2230a_100000102301_100000760354 [1,0,0,0,0,0|2,0,1]=4 535 B12R1.37 CCCCNCCC1CCCC1 2230a_100000739158_100000210211 [1,0,0,0,0,0|2,0,1]=4 536 B12R1.37 CCCCNCCC1CCCC1 34a_100000739158_100000210210 [1,0,0,0,0,0|2,0,1]=4 537 B12R1.37 CCCCNCCC1CCCC1 7a_106832991798_100000760354 [1,0,0,0,0,0|2,0,1]=4 538 B12R1.37 CCCCNCCC1OCCO1 2230a_100000034215_100000210211 [1,0,0,0,0,0|2,0,1]=4 539 B12R1.37 CCCCNCCC1OCCO1 2230a_100000102301_100000740749 [1,0,0,0,0,0|2,0,1]=4 540 B12R1.37 CCCCNCCC1OCCO1 34a_100000034215_100000210210 [1,0,0,0,0,0|2,0,1]=4 541 B12R1.37 CCCCNCCC1OCCO1 7a_106832991798_100000740749 [1,0,0,0,0,0|2,0,1]=4 542 B12R1.37 CCCCOCCC1CCCC1 34a_100000210227_100000760354 [1,0,0,0,0,0|2,0,1]=4 543 B12R1.37 CCCCOCCC1CCCC1 34a_100000749090_100000210210 [1,0,0,0,0,0|2,0,1]=4 544 B12R1.37 CCCCOCCC1CCCC1 7a_100000210227_100000760354 [1,0,0,0,0,0|2,0,1]=4 545 B12R1.37 CCCCOCCC1CCCC1 7a_100000749090_100000210211 [1,0,0,0,0,0|2,0,1]=4 546 B12R1.37 CCCCOCCC1CCNC1 34a_100016987287_100000210210 [1,0,0,0,0,0|3,0,0]=4 547 B12R1.37 CCCCOCCC1CCOC1 34a_100011879284_100000210210 [1,0,0,0,0,0|3,0,0]=4 548 B12R1.37 CCCCOCCC1OCCO1 34a_100000210227_100000740749 [1,0,0,0,0,0|2,0,1]=4 549 B12R1.37 CCCCOCCC1OCCO1 7a_100000210227_100000740749 [1,0,0,0,0,0|2,0,1]=4 550 B12R1.37 CCCCOCOC1CCCO1 34a_100000085407_100011995733 [1,0,0,0,0,0|2,0,1]=4 551 B12R1.37 CCCCSCCC1CCCC1 62a_100000210211_100000760354 [1,0,0,0,0,0|2,0,1]=4 552 B12R1.37 CCCCSCCC1CCCC1 62a_100000760354_100000210210 [1,0,0,0,0,0|2,0,1]=4 553 B12R1.37 CCCCSCCC1OCCO1 62a_100000210211_100000740749 [1,0,0,0,0,0|2,0,1]=4 554 B12R1.37 CCCNCCCC1CCCC1 2230a_100000736752_100000210303 [1,0,0,0,0,0|2,0,1]=4 555 B12R1.37 CCCNCCCC1CCCC1 34a_100000736752_100000210303 [1,0,0,0,0,0|2,0,1]=4 556 B12R1.37 CCCOCCCC1CCCC1 34a_100000210258_100011713738 [1,0,0,0,0,0|2,0,1]=4 557 B12R1.37 CCCOCCCC1CCCC1 34a_100011215328_100000210303 [1,0,0,0,0,0|2,0,1]=4 558 B12R1.37 CCCOCCCC1CCCC1 7a_100011215328_100000210303 [1,0,0,0,0,0|2,0,1]=4 559 B12R1.37 CCCOCCCC1OCCO1 34a_100000210258_100009861162 [1,0,0,0,0,0|2,0,1]=4 560 B12R1.37 CCCOCCCC1OCCO1 34a_100009871617_100000210303 [1,0,0,0,0,0|2,0,1]=4 561 B12R1.37 CCCOCCCC1OCCO1 7a_100009871617_100000210303 [1,0,0,0,0,0|2,0,1]=4 562 B12R1.37 CCCOCCOC1CCCO1 34a_100000085407_100011215938 [1,0,0,0,0,0|2,0,1]=4 563 B12R1.37 CCCSCCCC1CCCC1 62a_100000210303_100011713738 [1,0,0,0,0,0|2,0,1]=4 564 B12R1.37 CCCSCCCC1CCCC1 62a_100011713738_100000210303 [1,0,0,0,0,0|2,0,1]=4 565 B12R1.37 CCCSCCCC1OCCO1 62a_100000210303_100000042513 [1,0,0,0,0,0|2,0,1]=4 566 B12R1.37 CCNCCCCC1OCCO1 2230a_100015525214_100000034956 [1,0,0,0,0,0|2,0,1]=4 567 B12R1.37 CCOCCCCC1OCCO1 34a_100121572206_200009813554 [1,0,0,0,0,0|2,0,1]=4 568 B12R1.37 CCOCCCOC1CCCO1 34a_100000085407_100012232248 [1,0,0,0,0,0|2,0,1]=4 569 B12R1.37 CCOCCNCC1CCCO1 2230a_102516460346_100000203698 [1,0,0,0,0,0|2,0,1]=4 570 B12R1.37 CCOCCNC[C@@H]1CCCO1 2230a_100020590478_100011215890 [1,0,0,0,0,0|2,0,1]=4 571 B12R1.37 CCOCCNC[C@@H]1CCCO1 34a_100020590478_100000210147 [1,0,0,0,0,0|2,0,1]=4 572 B12R1.37 CCOCCOCC1CCCO1 34a_100000210270_100000210147 [1,0,0,0,0,0|2,0,1]=4 573 B12R1.37 CCOCCOCC1CCCO1 7a_100000210136_100000203698 [1,0,0,0,0,0|2,0,1]=4 574 B12R1.37 CCOCCOCC1CCCO1 7a_100000210270_100011215890 [1,0,0,0,0,0|2,0,1]=4 575 B12R1.37 CCOCCSCC1CCCO1 62a_100000203698_100011215890 [1,0,0,0,0,0|2,0,1]=4 576 B12R1.37 CCOCCSCC1CCCO1 62a_100000210147_100000203698 [1,0,0,0,0,0|2,0,1]=4 577 B12R1.37 CCSCCCCC1OCCO1 62a_100000210202_100000034956 [1,0,0,0,0,0|2,0,1]=4 578 B12R1.37 CCSCCNCC1CCCO1 2230a_100000106463_100000203698 [1,0,0,0,0,0|2,0,1]=4 579 B12R1.37 CCSCCNC[C@@H]1CCCO1 2230a_100020590478_100000757381 [1,0,0,0,0,0|2,0,1]=4 580 B12R1.37 CCSCCNC[C@@H]1CCCO1 34a_100020590478_100000757381 [1,0,0,0,0,0|2,0,1]=4 581 B12R1.37 CCSCCOCC1CCCO1 34a_100000210270_100000757381 [1,0,0,0,0,0|2,0,1]=4 582 B12R1.37 CCSCCOCC1CCCO1 7a_100000210270_100000757381 [1,0,0,0,0,0|2,0,1]=4 583 B12R1.37 CCSCCOCC1CCCO1 7a_100000212035_100000203698 [1,0,0,0,0,0|2,0,1]=4 584 B12R1.37 CCSCCSCC1CCCO1 62a_100000203698_100000757381 [1,0,0,0,0,0|2,0,1]=4 585 B12R1.37 CCSCCSCC1CCCO1 62a_100000757381_100000203698 [1,0,0,0,0,0|2,0,1]=4 586 B12R1.37 COCCCCOC1CCCO1 34a_100000085407_100000755781 [1,0,0,0,0,0|2,0,1]=4 587 B12R1.37 COCCCCOC1CCCO1 34a_100011018183_200000210301 [1,0,0,0,0,0|2,0,1]=4 588 B12R1.37 COCCCCOC1CCCO1 7a_100011018183_200000210301 [1,0,0,0,0,0|2,0,1]=4 589 B12R1.37 COCCCNC[C@@H]1CCCO1 2230a_100020590478_100000740836 [1,0,0,0,0,0|2,0,1]=4 590 B12R1.37 COCCCNC[C@@H]1CCCO1 34a_100020590478_100000740836 [1,0,0,0,0,0|2,0,1]=4 591 B12R1.37 COCCCOCC1CCCO1 34a_100000210270_100000740836 [1,0,0,0,0,0|2,0,1]=4 592 B12R1.37 COCCCOCC1CCCO1 7a_100000210270_100000740836 [1,0,0,0,0,0|2,0,1]=4 593 B12R1.37 COCCCSCC1CCCO1 62a_100000203698_100000709357 [1,0,0,0,0,0|2,0,1]=4 594 B12R1.37 COCCCSCC1CCCO1 62a_100000709357_100000203698 [1,0,0,0,0,0|2,0,1]=4 595 B12R1.37 CSCCCNCC1CCCO1 2230a_100000749238_100000203698 [1,0,0,0,0,0|2,0,1]=4 596 B12R1.37 CSCCCOCC1CCCO1 7a_100000690336_100000203698 [1,0,0,0,0,0|2,0,1]=4 597 B12R1.37 ClCCCCOCC1CCCO1 7a_100000210776_100000203698 [1,0,0,0,0,0|2,0,1]=4 598 B12R1.37 FCCCCCOC1CCCO1 34a_100000085407_100000729378 [1,0,0,0,0,0|2,0,1]=4 599 B12R1.37 FCCCCNC[C@@H]1CCCO1 2230a_100020590478_100000729493 [1,0,0,0,0,0|2,0,1]=4 600 B12R1.37 FCCCCNC[C@@H]1CCCO1 34a_100020590478_100000729493 [1,0,0,0,0,0|2,0,1]=4 601 B12R1.37 FCCCCOCC1CCCO1 34a_100000210270_100000729493 [1,0,0,0,0,0|2,0,1]=4 602 B12R1.37 FCCCCOCC1CCCO1 7a_100000210270_100000729493 [1,0,0,0,0,0|2,0,1]=4 603 B12R1.37 FCCCCOCC1CCCO1 7a_100011995726_100000203698 [1,0,0,0,0,0|2,0,1]=4 604 B12R1.37 FCCCCSCC1CCCO1 62a_100000203698_100000729493 [1,0,0,0,0,0|2,0,1]=4 605 B12R1.37 FCCCCSCC1CCCO1 62a_100000729493_100000203698 [1,0,0,0,0,0|2,0,1]=4 606 B12R1.37 OCCCCCOC1CCCO1 34a_100000085407_100000746330 [1,0,0,0,0,0|2,0,1]=4 607 B12R1.37 OCCCCNCC1CCCO1 2230a_100000750430_100000203698 [1,0,0,0,0,0|2,0,1]=4 608 B12R1.37 OCCCCNC[C@@H]1CCCO1 2230a_100020590478_100000210776 [1,0,0,0,0,0|2,0,1]=4 609 B12R1.37 OCCCCNC[C@@H]1CCCO1 34a_100020590478_100011216708 [1,0,0,0,0,0|2,0,1]=4 610 B12R1.37 OCCCCOCC1CCCO1 34a_100000210270_100011216708 [1,0,0,0,0,0|2,0,1]=4 611 B12R1.37 OCCCCOCC1CCCO1 7a_100000210270_100000210776 [1,0,0,0,0,0|2,0,1]=4 612 B12R1.37 OCCCCSCC1CCCO1 62a_100000203698_100000210776 [1,0,0,0,0,0|2,0,1]=4 613 B12R1.37 OCCCCSCC1CCCO1 62a_100000210776_100000203698 [1,0,0,0,0,0|2,0,1]=4 614 B12R1.37 [13CH3]OCCCCOC1CCCO1 34a_100011018183_200025704644 [1,0,0,0,0,0|2,0,1]=4 615 B12R1.37 [13CH3]OCCCCOC1CCCO1 7a_100011018183_200025704644 [1,0,0,0,0,0|2,0,1]=4 616 B14R1.37 C#CCCCCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100010269958 [0,1,0,0,0,0|0,0,3]=4 617 B14R1.37 C=CCCCCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100011215482 [0,1,0,0,0,0|0,0,3]=4 618 B14R1.37 CC/C=C\CCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100015370543 [0,1,0,0,0,0|0,0,3]=4 619 B14R1.37 CCCCCCC(=O)C1CCC(=O)N1 1458a_100000210400_100000210757 [0,1,0,0,0,0|1,0,1]=3 620 B14R1.37 CCCCCCC(=O)C1CNC(=O)C1 1458a_100000747279_100000210757 [0,1,0,0,0,0|2,0,1]=4 621 B14R1.37 CCCCCCC(=O)C1CNC(=O)N1 1458a_100000033324_100000210757 [0,1,0,0,0,0|2,0,1]=4 622 B14R1.37 CCCCCCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100000210757 [0,1,0,0,0,0|0,0,1]=2 623 B14R1.37 CCCCCCC(=O)[C@@H]1CSC(=O)N1 1458a_100000735014_100000210757 [0,1,0,0,0,0|2,0,1]=4 624 B14R1.37 CCCCCCC(C)N1CNC(=O)C1 2230a_200000708111_100011215978 [0,1,0,0,0,0|3,0,0]=4 625 B14R1.37 CCCCCNC(=O)C1CCC(=O)N1 240690a_100000209983_100000210400 [0,1,0,0,0,0|2,0,1]=4 626 B14R1.37 CCCCCNC(=O)[C@@H]1CCC(=O)O1 11a_100000209983_100009814974 [0,1,0,0,0,0|1,0,1]=3 627 B14R1.37 CCCCCNC(=O)[C@@H]1CCC(=O)O1 1626a_100000209983_100009814974 [0,1,0,0,0,0|1,0,1]=3 628 B14R1.37 CCCCCNC(=O)[C@@H]1CCC(=O)O1 240690a_100000209983_100009814974 [0,1,0,0,0,0|1,0,1]=3 629 B14R1.37 CCCCCNC(=O)[C@@H]1CCC(=O)O1 527a_100000209983_100009814974 [0,1,0,0,0,0|1,0,1]=3 630 B14R1.37 CCCCNNC(=O)[C@@H]1CCC(=O)O1 22a_100025702795_100009814974 [0,1,0,0,0,0|2,0,1]=4 631 B14R1.37 CCCCOCC(=O)C1CCC(=O)N1 1458a_100000210400_100011995733 [0,1,0,0,0,0|2,0,1]=4 632 B14R1.37 CCCCOCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100011995733 [0,1,0,0,0,0|1,0,1]=3 633 B14R1.37 CCCOCCC(=O)C1CCC(=O)N1 1458a_100000210400_100011215938 [0,1,0,0,0,0|2,0,1]=4 634 B14R1.37 CCCOCCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100011215938 [0,1,0,0,0,0|1,0,1]=3 635 B14R1.37 CCOCCCC(=O)C1CCC(=O)N1 1458a_100000210400_100012232248 [0,1,0,0,0,0|2,0,1]=4 636 B14R1.37 CCOCCCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100012232248 [0,1,0,0,0,0|1,0,1]=3 637 B14R1.37 CCOCCNC(=O)[C@@H]1CCC(=O)O1 11a_100011200944_100009814974 [0,1,0,0,0,0|2,0,1]=4 638 B14R1.37 CCOCCNC(=O)[C@@H]1CCC(=O)O1 1626a_102516460346_100009814974 [0,1,0,0,0,0|2,0,1]=4 639 B14R1.37 CCOCCNC(=O)[C@@H]1CCC(=O)O1 240690a_100011200944_100009814974 [0,1,0,0,0,0|2,0,1]=4 640 B14R1.37 CCOCCNC(=O)[C@@H]1CCC(=O)O1 527a_100011200944_100009814974 [0,1,0,0,0,0|2,0,1]=4 641 B14R1.37 CCSCCNC(=O)[C@@H]1CCC(=O)O1 11a_100000106463_100009814974 [0,1,0,0,0,0|2,0,1]=4 642 B14R1.37 CCSCCNC(=O)[C@@H]1CCC(=O)O1 1626a_100000106463_100009814974 [0,1,0,0,0,0|2,0,1]=4 643 B14R1.37 CCSCCNC(=O)[C@@H]1CCC(=O)O1 240690a_100000106463_100009814974 [0,1,0,0,0,0|2,0,1]=4 644 B14R1.37 CCSCCNC(=O)[C@@H]1CCC(=O)O1 527a_100000106463_100009814974 [0,1,0,0,0,0|2,0,1]=4 645 B14R1.37 COCCCCC(=O)C1CCC(=O)N1 1458a_100000210400_100000755781 [0,1,0,0,0,0|2,0,1]=4 646 B14R1.37 COCCCCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100000755781 [0,1,0,0,0,0|1,0,1]=3 647 B14R1.37 COCCCNC(=O)[C@@H]1CCC(=O)O1 1626a_100150723488_100009814974 [0,1,0,0,0,0|2,0,1]=4 648 B14R1.37 COCCCNC(=O)[C@@H]1CCC(=O)O1 240690a_100150723488_100009814974 [0,1,0,0,0,0|2,0,1]=4 649 B14R1.37 COCCCNC(=O)[C@@H]1CCC(=O)O1 527a_100150723488_100009814974 [0,1,0,0,0,0|2,0,1]=4 650 B14R1.37 CSCCCNC(=O)[C@@H]1CCC(=O)O1 11a_100000749238_100009814974 [0,1,0,0,0,0|2,0,1]=4 651 B14R1.37 CSCCCNC(=O)[C@@H]1CCC(=O)O1 1626a_100000749238_100009814974 [0,1,0,0,0,0|2,0,1]=4 652 B14R1.37 CSCCCNC(=O)[C@@H]1CCC(=O)O1 240690a_100000749238_100009814974 [0,1,0,0,0,0|2,0,1]=4 653 B14R1.37 CSCCCNC(=O)[C@@H]1CCC(=O)O1 527a_100000749238_100009814974 [0,1,0,0,0,0|2,0,1]=4 654 B14R1.37 N#CCCCCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100000211819 [0,1,0,0,0,0|1,0,2]=4 655 B14R1.37 O=C1CCC(N1)C(=O)CCCCCF 1458a_100000210400_100000729378 [0,1,0,0,0,0|2,0,1]=4 656 B14R1.37 O=C1CCC(N1)C(=O)CCCCCO 1458a_100000210400_100000746330 [0,1,0,0,0,0|2,0,1]=4 657 B14R1.37 O=C1CC[C@H](O1)C(=O)CCCCCF 1458a_100009814974_100000729378 [0,1,0,0,0,0|1,0,1]=3 658 B14R1.37 O=C1CC[C@H](O1)C(=O)CCCCCO 1458a_100009814974_100000746330 [0,1,0,0,0,0|1,0,1]=3 659 B14R1.37 O=C1CC[C@H](O1)C(=O)CCOCCO 1458a_100009814974_100011215305 [0,1,0,0,0,0|2,0,1]=4 660 B14R1.37 O=C1CC[C@H](O1)C(=O)NCCCCO 240690a_100000750430_100009814974 [0,1,0,0,0,0|2,0,1]=4 661 B14R1.37 O=C1CC[C@H](O1)C(=O)NCCCCO 527a_100000750430_100009814974 [0,1,0,0,0,0|2,0,1]=4 662 B14R1.122 C#CCCCCCOC1CCC(=O)C1 34a_100012614533_100012094781 [0,1,0,0,0,0|1,0,2]=4 663 B14R1.122 C#CCCCCCOC1COC(=O)O1 34a_100000766912_100000032252 [0,1,0,0,0,0|1,0,2]=4 664 B14R1.122 C#CCCCCCSC1COC(=O)O1 62a_100012094781_100000032252 [0,1,0,0,0,0|1,0,2]=4 665 B14R1.122 C#CCCCCNCC1CNC(=O)O1 2230a_100000706060_100000181169 [0,1,0,0,0,0|1,0,2]=4 666 B14R1.122 C#CCCCCNCC1CNC(=O)O1 34a_100000706060_100000181169 [0,1,0,0,0,0|1,0,2]=4 667 B14R1.122 C#CCCCCNCC1COC(=O)O1 34a_100000706060_100000073702 [0,1,0,0,0,0|1,0,2]=4 668 B14R1.122 C#CCCCCNC[C@@H]1CCC(=O)N1 2230a_100000706060_100015189358 [0,1,0,0,0,0|1,0,2]=4 669 B14R1.122 C#CCCCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100010269958 [0,1,0,0,0,0|1,0,2]=4 670 B14R1.122 C#CCCCCNC[C@H]1CCC(=O)N1 34a_100015423886_100010269958 [0,1,0,0,0,0|1,0,2]=4 671 B14R1.122 C#CCCCCOCC1CCC(=O)N1 34a_100000737831_100010269958 [0,1,0,0,0,0|1,0,2]=4 672 B14R1.122 C#CCCCCOCC1CNC(=O)O1 34a_100000766709_100000181169 [0,1,0,0,0,0|1,0,2]=4 673 B14R1.122 C#CCCCCOCC1CNC(=O)O1 34a_100011315639_100010269958 [0,1,0,0,0,0|1,0,2]=4 674 B14R1.122 C#CCCCCOCC1CNC(=O)O1 7a_100000766709_100000181169 [0,1,0,0,0,0|1,0,2]=4 675 B14R1.122 C#CCCCCOCC1COC(=O)O1 34a_100000766709_100000073702 [0,1,0,0,0,0|1,0,2]=4 676 B14R1.122 C#CCCCCOC[C@@H]1CCC(=O)N1 7a_100000766709_100015189358 [0,1,0,0,0,0|1,0,2]=4 677 B14R1.122 C#CCCCCSCC1CNC(=O)O1 62a_100000181169_100010269958 [0,1,0,0,0,0|1,0,2]=4 678 B14R1.122 C#CCCCCSCC1CNC(=O)O1 62a_100010269958_100000181169 [0,1,0,0,0,0|1,0,2]=4 679 B14R1.122 C#CCCCCSCC1COC(=O)O1 62a_100000073702_100010269958 [0,1,0,0,0,0|1,0,2]=4 680 B14R1.122 C#CCCCCSCC1COC(=O)O1 62a_100010269958_100000073702 [0,1,0,0,0,0|1,0,2]=4 681 B14R1.122 C#CCCCCSC[C@@H]1CCC(=O)N1 62a_100010269958_100015189358 [0,1,0,0,0,0|1,0,2]=4 682 B14R1.122 C#CCCCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100010269958 [0,1,0,0,0,0|1,0,2]=4 683 B14R1.122 C=CCCCCCOC1CCC(=O)C1 34a_100012614533_100000700193 [0,1,0,0,0,0|1,0,2]=4 684 B14R1.122 C=CCCCCCOC1COC(=O)O1 34a_100011216702_100000032252 [0,1,0,0,0,0|1,0,2]=4 685 B14R1.122 C=CCCCCCSC1COC(=O)O1 62a_100000700193_100000032252 [0,1,0,0,0,0|1,0,2]=4 686 B14R1.122 C=CCCCCNCC1CNC(=O)O1 2230a_100000703577_100000181169 [0,1,0,0,0,0|1,0,2]=4 687 B14R1.122 C=CCCCCNCC1CNC(=O)O1 34a_100000703577_100000181169 [0,1,0,0,0,0|1,0,2]=4 688 B14R1.122 C=CCCCCNCC1COC(=O)O1 34a_100000703577_100000073702 [0,1,0,0,0,0|1,0,2]=4 689 B14R1.122 C=CCCCCNC[C@@H]1CCC(=O)N1 2230a_100000703577_100015189358 [0,1,0,0,0,0|1,0,2]=4 690 B14R1.122 C=CCCCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100011215482 [0,1,0,0,0,0|1,0,2]=4 691 B14R1.122 C=CCCCCNC[C@H]1CCC(=O)N1 34a_100015423886_100011215482 [0,1,0,0,0,0|1,0,2]=4 692 B14R1.122 C=CCCCCOCC1CCC(=O)N1 34a_100000737831_100011215482 [0,1,0,0,0,0|1,0,2]=4 693 B14R1.122 C=CCCCCOCC1CNC(=O)O1 34a_100000766645_100000181169 [0,1,0,0,0,0|1,0,2]=4 694 B14R1.122 C=CCCCCOCC1CNC(=O)O1 34a_100011315639_100011215482 [0,1,0,0,0,0|1,0,2]=4 695 B14R1.122 C=CCCCCOCC1CNC(=O)O1 7a_100000766645_100000181169 [0,1,0,0,0,0|1,0,2]=4 696 B14R1.122 C=CCCCCOCC1COC(=O)O1 34a_100000766645_100000073702 [0,1,0,0,0,0|1,0,2]=4 697 B14R1.122 C=CCCCCOC[C@@H]1CCC(=O)N1 7a_100000766645_100015189358 [0,1,0,0,0,0|1,0,2]=4 698 B14R1.122 C=CCCCCSCC1CNC(=O)O1 62a_100000181169_100011215482 [0,1,0,0,0,0|1,0,2]=4 699 B14R1.122 C=CCCCCSCC1CNC(=O)O1 62a_100011215482_100000181169 [0,1,0,0,0,0|1,0,2]=4 700 B14R1.122 C=CCCCCSCC1COC(=O)O1 62a_100000073702_100011215482 [0,1,0,0,0,0|1,0,2]=4 701 B14R1.122 C=CCCCCSCC1COC(=O)O1 62a_100011215482_100000073702 [0,1,0,0,0,0|1,0,2]=4 702 B14R1.122 C=CCCCCSC[C@@H]1CCC(=O)N1 62a_100011215482_100015189358 [0,1,0,0,0,0|1,0,2]=4 703 B14R1.122 C=CCCCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100011215482 [0,1,0,0,0,0|1,0,2]=4 704 B14R1.122 CC/C=C/CCCOC1COC(=O)O1 34a_100016287902_100000032252 [0,1,0,0,0,0|1,0,2]=4 705 B14R1.122 CC/C=C\CCNC[C@H]1CCC(=O)N1 2230a_100015423886_100015370543 [0,1,0,0,0,0|1,0,2]=4 706 B14R1.122 CC/C=C\CCNC[C@H]1CCC(=O)N1 34a_100015423886_100015370543 [0,1,0,0,0,0|1,0,2]=4 707 B14R1.122 CC/C=C\CCOCC1CCC(=O)N1 34a_100000737831_100015370543 [0,1,0,0,0,0|1,0,2]=4 708 B14R1.122 CC/C=C\CCOCC1CNC(=O)O1 34a_100011315639_100015370543 [0,1,0,0,0,0|1,0,2]=4 709 B14R1.122 CC/C=C\CCOCC1CNC(=O)O1 34a_100016288707_100000181169 [0,1,0,0,0,0|1,0,2]=4 710 B14R1.122 CC/C=C\CCOCC1CNC(=O)O1 7a_100016288707_100000181169 [0,1,0,0,0,0|1,0,2]=4 711 B14R1.122 CC/C=C\CCOCC1COC(=O)O1 34a_100016288707_100000073702 [0,1,0,0,0,0|1,0,2]=4 712 B14R1.122 CC/C=C\CCOC[C@@H]1CCC(=O)N1 7a_100016288707_100015189358 [0,1,0,0,0,0|1,0,2]=4 713 B14R1.122 CC/C=C\CCSCC1CNC(=O)O1 62a_100000181169_100015370543 [0,1,0,0,0,0|1,0,2]=4 714 B14R1.122 CC/C=C\CCSCC1CNC(=O)O1 62a_100015370543_100000181169 [0,1,0,0,0,0|1,0,2]=4 715 B14R1.122 CC/C=C\CCSCC1COC(=O)O1 62a_100000073702_100015370543 [0,1,0,0,0,0|1,0,2]=4 716 B14R1.122 CC/C=C\CCSCC1COC(=O)O1 62a_100015370543_100000073702 [0,1,0,0,0,0|1,0,2]=4 717 B14R1.122 CC/C=C\CCSC[C@@H]1CCC(=O)N1 62a_100015189358_100015370543 [0,1,0,0,0,0|1,0,2]=4 718 B14R1.122 CC/C=C\CCSC[C@@H]1CCC(=O)N1 62a_100015370543_100015189358 [0,1,0,0,0,0|1,0,2]=4 719 B14R1.122 CC=CCCCOCC1CNC(=O)O1 34a_100020645299_100000181169 [0,1,0,0,0,0|1,0,2]=4 720 B14R1.122 CC=CCCCOCC1COC(=O)O1 34a_100020645299_100000073702 [0,1,0,0,0,0|1,0,2]=4 721 B14R1.122 CCC#CCCOCC1CNC(=O)O1 34a_100000036655_100000181169 [0,1,0,0,0,0|1,0,2]=4 722 B14R1.122 CCC#CCCOCC1CNC(=O)O1 7a_100000036655_100000181169 [0,1,0,0,0,0|1,0,2]=4 723 B14R1.122 CCC#CCCOCC1COC(=O)O1 34a_100000036655_100000073702 [0,1,0,0,0,0|1,0,2]=4 724 B14R1.122 CCC#CCCOC[C@@H]1CCC(=O)N1 7a_100000036655_100015189358 [0,1,0,0,0,0|1,0,2]=4 725 B14R1.122 CCC/C=C/COCC1CNC(=O)O1 34a_100016278788_100000181169 [0,1,0,0,0,0|1,0,2]=4 726 B14R1.122 CCC/C=C/COCC1CNC(=O)O1 7a_100016278788_100000181169 [0,1,0,0,0,0|1,0,2]=4 727 B14R1.122 CCC/C=C/COCC1COC(=O)O1 34a_100016278788_100000073702 [0,1,0,0,0,0|1,0,2]=4 728 B14R1.122 CCC/C=C/COC[C@@H]1CCC(=O)N1 7a_100016278788_100015189358 [0,1,0,0,0,0|1,0,2]=4 729 B14R1.122 CCCC#CCCOC1COC(=O)O1 34a_100000042726_100000032252 [0,1,0,0,0,0|1,0,2]=4 730 B14R1.122 CCCC#CCOCC1CNC(=O)O1 34a_100000034806_100000181169 [0,1,0,0,0,0|1,0,2]=4 731 B14R1.122 CCCC#CCOCC1CNC(=O)O1 7a_100000034806_100000181169 [0,1,0,0,0,0|1,0,2]=4 732 B14R1.122 CCCC#CCOCC1COC(=O)O1 34a_100000034806_100000073702 [0,1,0,0,0,0|1,0,2]=4 733 B14R1.122 CCCC#CCOC[C@@H]1CCC(=O)N1 7a_100000034806_100015189358 [0,1,0,0,0,0|1,0,2]=4 734 B14R1.122 CCCC/C=C/COC1COC(=O)O1 34a_200016272032_100000032252 [0,1,0,0,0,0|1,0,2]=4 735 B14R1.122 CCCCC#CCOC1COC(=O)O1 34a_200000034558_100000032252 [0,1,0,0,0,0|1,0,2]=4 736 B14R1.122 CCCCCCCCN1CNC(=O)C1 2230a_200000708111_100000210759 [0,1,0,0,0,0|3,0,0]=4 737 B14R1.122 CCCCCCCNC1CCC(C1)C 270004a_100000229938_100011215218 [0,1,0,0,0,0|2,0,1]=4 738 B14R1.122 CCCCCCCNC1CCC(C1)O 270004a_100000229938_100012614533 [0,1,0,0,0,0|1,0,2]=4 739 B14R1.122 CCCCCCCNC1CNC(=O)C1 2230a_100000697751_100000210681 [0,1,0,0,0,0|2,0,0]=3 740 B14R1.122 CCCCCCCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100000210681 [0,1,0,0,0,0|1,0,2]=4 741 B14R1.122 CCCCCCCOC1CCC(=O)C1 34a_100012614533_100000210614 [0,1,0,0,0,0|1,0,0]=2 742 B14R1.122 CCCCCCCOC1CCC(C1)C 34a_100000698185_100000210614 [0,1,0,0,0,0|2,0,1]=4 743 B14R1.122 CCCCCCCOC1CCN(C1)C 7a_100000210272_200012183744 [0,1,0,0,0,0|3,0,0]=4 744 B14R1.122 CCCCCCCOC1CNC(=O)C1 34a_100000690082_100000210614 [0,1,0,0,0,0|2,0,0]=3 745 B14R1.122 CCCCCCCOC1COC(=O)O1 34a_100000210272_100000032252 [0,1,0,0,0,0|1,0,0]=2 746 B14R1.122 CCCCCCCSC1CCN(C1)C 62a_100000210614_200012183744 [0,1,0,0,0,0|3,0,0]=4 747 B14R1.122 CCCCCCCSC1COC(=O)O1 62a_100000210614_100000032252 [0,1,0,0,0,0|1,0,0]=2 748 B14R1.122 CCCCCCNCC1CNC(=O)C1 2230a_100016993742_100000210314 [0,1,0,0,0,0|2,0,0]=3 749 B14R1.122 CCCCCCNCC1CNC(=O)C1 34a_100016993742_100000210314 [0,1,0,0,0,0|2,0,0]=3 750 B14R1.122 CCCCCCNCC1CNC(=O)O1 2230a_100000210581_100000181169 [0,1,0,0,0,0|1,0,0]=2 751 B14R1.122 CCCCCCNC[C@@H]1CCC(=O)N1 2230a_100000210581_100015189358 [0,1,0,0,0,0|1,0,0]=2 752 B14R1.122 CCCCCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100000210314 [0,1,0,0,0,0|1,0,0]=2 753 B14R1.122 CCCCCCNC[C@H]1CCC(=O)N1 34a_100015423886_100000210314 [0,1,0,0,0,0|1,0,0]=2 754 B14R1.122 CCCCCCNC[C@H]1COC(=O)N1 2230a_100000210581_100015307671 [0,1,0,0,0,0|2,0,0]=3 755 B14R1.122 CCCCCCOCC1=CC(=O)OC1 34a_100000210259_100000716558 [0,1,0,0,0,0|2,0,1]=4 756 B14R1.122 CCCCCCOCC1CCC(=O)N1 34a_100000737831_100000210314 [0,1,0,0,0,0|1,0,0]=2 757 B14R1.122 CCCCCCOCC1CCN(C1)C 34a_100000210259_200000690779 [0,1,0,0,0,0|3,0,0]=4 758 B14R1.122 CCCCCCOCC1CCN(C1)C 7a_100000210259_200000690779 [0,1,0,0,0,0|3,0,0]=4 759 B14R1.122 CCCCCCOCC1CNC(=O)C1 34a_100016041077_100000210314 [0,1,0,0,0,0|2,0,0]=3 760 B14R1.122 CCCCCCOCC1CNC(=O)O1 34a_100000210259_100000181169 [0,1,0,0,0,0|1,0,0]=2 761 B14R1.122 CCCCCCOCC1CNC(=O)O1 34a_100011315639_100000210314 [0,1,0,0,0,0|1,0,0]=2 762 B14R1.122 CCCCCCOCC1CNC(=O)O1 7a_100000210259_100000181169 [0,1,0,0,0,0|1,0,0]=2 763 B14R1.122 CCCCCCOCC1COC(=O)O1 34a_100000210259_100000073702 [0,1,0,0,0,0|1,0,0]=2 764 B14R1.122 CCCCCCOC[C@@H]1CCC(=O)N1 7a_100000210259_100015189358 [0,1,0,0,0,0|1,0,0]=2 765 B14R1.122 CCCCCCOC[C@H]1COC(=O)N1 34a_100000210259_100015307671 [0,1,0,0,0,0|2,0,0]=3 766 B14R1.122 CCCCCCOC[C@H]1COC(=O)N1 7a_100000210259_100015307671 [0,1,0,0,0,0|2,0,0]=3 767 B14R1.122 CCCCCCSCC1=CC(=O)OC1 62a_100000210314_100000716558 [0,1,0,0,0,0|2,0,1]=4 768 B14R1.122 CCCCCCSCC1=CC(=O)OC1 62a_100000716558_100000210757 [0,1,0,0,0,0|2,0,1]=4 769 B14R1.122 CCCCCCSCC1CCN(C1)C 62a_100000210314_200000690779 [0,1,0,0,0,0|3,0,0]=4 770 B14R1.122 CCCCCCSCC1CCN(C1)C 62a_200000690779_100000210757 [0,1,0,0,0,0|3,0,0]=4 771 B14R1.122 CCCCCCSCC1CNC(=O)O1 62a_100000181169_100000210757 [0,1,0,0,0,0|1,0,0]=2 772 B14R1.122 CCCCCCSCC1CNC(=O)O1 62a_100000210314_100000181169 [0,1,0,0,0,0|1,0,0]=2 773 B14R1.122 CCCCCCSCC1COC(=O)O1 62a_100000073702_100000210757 [0,1,0,0,0,0|1,0,0]=2 774 B14R1.122 CCCCCCSCC1COC(=O)O1 62a_100000210314_100000073702 [0,1,0,0,0,0|1,0,0]=2 775 B14R1.122 CCCCCCSC[C@@H]1CCC(=O)N1 62a_100000210314_100015189358 [0,1,0,0,0,0|1,0,0]=2 776 B14R1.122 CCCCCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000210757 [0,1,0,0,0,0|1,0,0]=2 777 B14R1.122 CCCCCCSC[C@H]1COC(=O)N1 62a_100000210314_100015307671 [0,1,0,0,0,0|2,0,0]=3 778 B14R1.122 CCCCCCSC[C@H]1COC(=O)N1 62a_100015307671_100000210757 [0,1,0,0,0,0|2,0,0]=3 779 B14R1.122 CCCCCOCCC1COS(=O)O1 7a_100000210253_100009840081 [0,1,0,0,0,0|2,0,0]=3 780 B14R1.122 CCCCCSCCC1COS(=O)O1 62a_100000210326_100009840081 [0,1,0,0,0,0|2,0,0]=3 781 B14R1.122 CCCCOCCNC1CNC(=O)C1 2230a_100000697751_100000743108 [0,1,0,0,0,0|3,0,0]=4 782 B14R1.122 CCCCOCCOC1CCC(=O)C1 34a_100012614533_100000743108 [0,1,0,0,0,0|2,0,0]=3 783 B14R1.122 CCCCOCCOC1CNC(=O)C1 34a_100000690082_100000743108 [0,1,0,0,0,0|3,0,0]=4 784 B14R1.122 CCCCOCCOC1COC(=O)O1 34a_100000210238_100000032252 [0,1,0,0,0,0|2,0,0]=3 785 B14R1.122 CCCCOCCSC1COC(=O)O1 62a_100000743108_100000032252 [0,1,0,0,0,0|2,0,0]=3 786 B14R1.122 CCCCOCNCC1CNC(=O)C1 2230a_100016993742_100011995733 [0,1,0,0,0,0|3,0,0]=4 787 B14R1.122 CCCCOCNCC1CNC(=O)C1 34a_100016993742_100011995733 [0,1,0,0,0,0|3,0,0]=4 788 B14R1.122 CCCCOCNC[C@H]1CCC(=O)N1 2230a_100015423886_100011995733 [0,1,0,0,0,0|2,0,0]=3 789 B14R1.122 CCCCOCNC[C@H]1CCC(=O)N1 34a_100015423886_100011995733 [0,1,0,0,0,0|2,0,0]=3 790 B14R1.122 CCCCOCOCC1CCC(=O)N1 34a_100000737831_100011995733 [0,1,0,0,0,0|2,0,0]=3 791 B14R1.122 CCCCOCOCC1CNC(=O)C1 34a_100016041077_100011995733 [0,1,0,0,0,0|3,0,0]=4 792 B14R1.122 CCCCOCOCC1CNC(=O)O1 34a_100011315639_100011995733 [0,1,0,0,0,0|2,0,0]=3 793 B14R1.122 CCCCOCSCC1CNC(=O)O1 62a_100000181169_100011995733 [0,1,0,0,0,0|2,0,0]=3 794 B14R1.122 CCCCOCSCC1CNC(=O)O1 62a_100011995733_100000181169 [0,1,0,0,0,0|2,0,0]=3 795 B14R1.122 CCCCOCSCC1COC(=O)O1 62a_100000073702_100011995733 [0,1,0,0,0,0|2,0,0]=3 796 B14R1.122 CCCCOCSCC1COC(=O)O1 62a_100011995733_100000073702 [0,1,0,0,0,0|2,0,0]=3 797 B14R1.122 CCCCOCSC[C@@H]1CCC(=O)N1 62a_100011995733_100015189358 [0,1,0,0,0,0|2,0,0]=3 798 B14R1.122 CCCCOCSC[C@@H]1CCC(=O)N1 62a_100015189358_100011995733 [0,1,0,0,0,0|2,0,0]=3 799 B14R1.122 CCCCOCSC[C@H]1COC(=O)N1 62a_100011995733_100015307671 [0,1,0,0,0,0|3,0,0]=4 800 B14R1.122 CCCCOCSC[C@H]1COC(=O)N1 62a_100015307671_100011995733 [0,1,0,0,0,0|3,0,0]=4 801 B14R1.122 CCCCSCCOC1COC(=O)O1 34a_200000230436_100000032252 [0,1,0,0,0,0|2,0,0]=3 802 B14R1.122 CCCOCCCNC1COC(=O)O1 34a_100011217757_100000032252 [0,1,0,0,0,0|2,0,0]=3 803 B14R1.122 CCCOCCNCC1CNC(=O)C1 2230a_100016993742_100011215938 [0,1,0,0,0,0|3,0,0]=4 804 B14R1.122 CCCOCCNCC1CNC(=O)C1 34a_100016993742_100011215938 [0,1,0,0,0,0|3,0,0]=4 805 B14R1.122 CCCOCCNCC1CNC(=O)O1 2230a_100161115042_100000181169 [0,1,0,0,0,0|2,0,0]=3 806 B14R1.122 CCCOCCNCC1CNC(=O)O1 34a_100161115042_100000181169 [0,1,0,0,0,0|2,0,0]=3 807 B14R1.122 CCCOCCNCC1COC(=O)O1 34a_100161115042_100000073702 [0,1,0,0,0,0|2,0,0]=3 808 B14R1.122 CCCOCCNC[C@@H]1CCC(=O)N1 2230a_100161115042_100015189358 [0,1,0,0,0,0|2,0,0]=3 809 B14R1.122 CCCOCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100011215938 [0,1,0,0,0,0|2,0,0]=3 810 B14R1.122 CCCOCCNC[C@H]1CCC(=O)N1 34a_100015423886_100011215938 [0,1,0,0,0,0|2,0,0]=3 811 B14R1.122 CCCOCCNC[C@H]1COC(=O)N1 2230a_100161115042_100015307671 [0,1,0,0,0,0|3,0,0]=4 812 B14R1.122 CCCOCCNC[C@H]1COC(=O)N1 34a_100161115042_100015307671 [0,1,0,0,0,0|3,0,0]=4 813 B14R1.122 CCCOCCOCC1CCC(=O)N1 34a_100000737831_100011215938 [0,1,0,0,0,0|2,0,0]=3 814 B14R1.122 CCCOCCOCC1CNC(=O)C1 34a_100016041077_100011215938 [0,1,0,0,0,0|3,0,0]=4 815 B14R1.122 CCCOCCOCC1CNC(=O)O1 34a_100000752267_100000181169 [0,1,0,0,0,0|2,0,0]=3 816 B14R1.122 CCCOCCOCC1CNC(=O)O1 34a_100011315639_100011215938 [0,1,0,0,0,0|2,0,0]=3 817 B14R1.122 CCCOCCOCC1CNC(=O)O1 7a_100000752267_100000181169 [0,1,0,0,0,0|2,0,0]=3 818 B14R1.122 CCCOCCOCC1COC(=O)O1 34a_100000752267_100000073702 [0,1,0,0,0,0|2,0,0]=3 819 B14R1.122 CCCOCCOC[C@@H]1CCC(=O)N1 7a_100000752267_100015189358 [0,1,0,0,0,0|2,0,0]=3 820 B14R1.122 CCCOCCOC[C@H]1COC(=O)N1 34a_100000752267_100015307671 [0,1,0,0,0,0|3,0,0]=4 821 B14R1.122 CCCOCCOC[C@H]1COC(=O)N1 7a_100000752267_100015307671 [0,1,0,0,0,0|3,0,0]=4 822 B14R1.122 CCCOCCSCC1CNC(=O)O1 62a_100000181169_100011215938 [0,1,0,0,0,0|2,0,0]=3 823 B14R1.122 CCCOCCSCC1CNC(=O)O1 62a_100011215938_100000181169 [0,1,0,0,0,0|2,0,0]=3 824 B14R1.122 CCCOCCSCC1COC(=O)O1 62a_100000073702_100011215938 [0,1,0,0,0,0|2,0,0]=3 825 B14R1.122 CCCOCCSCC1COC(=O)O1 62a_100011215938_100000073702 [0,1,0,0,0,0|2,0,0]=3 826 B14R1.122 CCCOCCSC[C@@H]1CCC(=O)N1 62a_100011215938_100015189358 [0,1,0,0,0,0|2,0,0]=3 827 B14R1.122 CCCOCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100011215938 [0,1,0,0,0,0|2,0,0]=3 828 B14R1.122 CCCOCCSC[C@H]1COC(=O)N1 62a_100011215938_100015307671 [0,1,0,0,0,0|3,0,0]=4 829 B14R1.122 CCCOCCSC[C@H]1COC(=O)N1 62a_100015307671_100011215938 [0,1,0,0,0,0|3,0,0]=4 830 B14R1.122 CCCSCCNCC1CNC(=O)O1 2230a_100020603323_100000181169 [0,1,0,0,0,0|2,0,0]=3 831 B14R1.122 CCCSCCNC[C@@H]1CCC(=O)N1 2230a_100020603323_100015189358 [0,1,0,0,0,0|2,0,0]=3 832 B14R1.122 CCCSCCNC[C@H]1COC(=O)N1 2230a_100020603323_100015307671 [0,1,0,0,0,0|3,0,0]=4 833 B14R1.122 CCCSCCOCC1CNC(=O)O1 34a_200000230433_100000181169 [0,1,0,0,0,0|2,0,0]=3 834 B14R1.122 CCCSCCOCC1CNC(=O)O1 7a_200000230433_100000181169 [0,1,0,0,0,0|2,0,0]=3 835 B14R1.122 CCCSCCOCC1COC(=O)O1 34a_200000230433_100000073702 [0,1,0,0,0,0|2,0,0]=3 836 B14R1.122 CCCSCCOC[C@@H]1CCC(=O)N1 7a_200000230433_100015189358 [0,1,0,0,0,0|2,0,0]=3 837 B14R1.122 CCCSCCOC[C@H]1COC(=O)N1 34a_200000230433_100015307671 [0,1,0,0,0,0|3,0,0]=4 838 B14R1.122 CCCSCCOC[C@H]1COC(=O)N1 7a_200000230433_100015307671 [0,1,0,0,0,0|3,0,0]=4 839 B14R1.122 CCOCCCNCC1CNC(=O)C1 2230a_100016993742_100012232248 [0,1,0,0,0,0|3,0,0]=4 840 B14R1.122 CCOCCCNCC1CNC(=O)C1 34a_100016993742_100012232248 [0,1,0,0,0,0|3,0,0]=4 841 B14R1.122 CCOCCCNCC1CNC(=O)O1 2230a_100000210961_100000181169 [0,1,0,0,0,0|2,0,0]=3 842 B14R1.122 CCOCCCNCC1CNC(=O)O1 34a_100000210961_100000181169 [0,1,0,0,0,0|2,0,0]=3 843 B14R1.122 CCOCCCNCC1COC(=O)O1 34a_100000210961_100000073702 [0,1,0,0,0,0|2,0,0]=3 844 B14R1.122 CCOCCCNC[C@@H]1CCC(=O)N1 2230a_100000210961_100015189358 [0,1,0,0,0,0|2,0,0]=3 845 B14R1.122 CCOCCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100012232248 [0,1,0,0,0,0|2,0,0]=3 846 B14R1.122 CCOCCCNC[C@H]1CCC(=O)N1 34a_100015423886_100012232248 [0,1,0,0,0,0|2,0,0]=3 847 B14R1.122 CCOCCCNC[C@H]1COC(=O)N1 2230a_100000210961_100015307671 [0,1,0,0,0,0|3,0,0]=4 848 B14R1.122 CCOCCCNC[C@H]1COC(=O)N1 34a_100000210961_100015307671 [0,1,0,0,0,0|3,0,0]=4 849 B14R1.122 CCOCCCOCC1CCC(=O)N1 34a_100000737831_100012232248 [0,1,0,0,0,0|2,0,0]=3 850 B14R1.122 CCOCCCOCC1CNC(=O)C1 34a_100016041077_100012232248 [0,1,0,0,0,0|3,0,0]=4 851 B14R1.122 CCOCCCOCC1CNC(=O)O1 34a_100000757476_100000181169 [0,1,0,0,0,0|2,0,0]=3 852 B14R1.122 CCOCCCOCC1CNC(=O)O1 34a_100011315639_100012232248 [0,1,0,0,0,0|2,0,0]=3 853 B14R1.122 CCOCCCOCC1CNC(=O)O1 7a_100000757476_100000181169 [0,1,0,0,0,0|2,0,0]=3 854 B14R1.122 CCOCCCOCC1COC(=O)O1 34a_100000757476_100000073702 [0,1,0,0,0,0|2,0,0]=3 855 B14R1.122 CCOCCCOC[C@@H]1CCC(=O)N1 7a_100000757476_100015189358 [0,1,0,0,0,0|2,0,0]=3 856 B14R1.122 CCOCCCOC[C@H]1COC(=O)N1 34a_100000757476_100015307671 [0,1,0,0,0,0|3,0,0]=4 857 B14R1.122 CCOCCCOC[C@H]1COC(=O)N1 7a_100000757476_100015307671 [0,1,0,0,0,0|3,0,0]=4 858 B14R1.122 CCOCCCSCC1CNC(=O)O1 62a_100000181169_100012232248 [0,1,0,0,0,0|2,0,0]=3 859 B14R1.122 CCOCCCSCC1CNC(=O)O1 62a_100012232248_100000181169 [0,1,0,0,0,0|2,0,0]=3 860 B14R1.122 CCOCCCSCC1COC(=O)O1 62a_100000073702_100012232248 [0,1,0,0,0,0|2,0,0]=3 861 B14R1.122 CCOCCCSCC1COC(=O)O1 62a_100012232248_100000073702 [0,1,0,0,0,0|2,0,0]=3 862 B14R1.122 CCOCCCSC[C@@H]1CCC(=O)N1 62a_100012232248_100015189358 [0,1,0,0,0,0|2,0,0]=3 863 B14R1.122 CCOCCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100012232248 [0,1,0,0,0,0|2,0,0]=3 864 B14R1.122 CCOCCCSC[C@H]1COC(=O)N1 62a_100012232248_100015307671 [0,1,0,0,0,0|3,0,0]=4 865 B14R1.122 CCOCCCSC[C@H]1COC(=O)N1 62a_100015307671_100012232248 [0,1,0,0,0,0|3,0,0]=4 866 B14R1.122 CCOCCOCCC1COS(=O)O1 7a_100000210136_100009840081 [0,1,0,0,0,0|3,0,0]=4 867 B14R1.122 CCOCCSCCC1COS(=O)O1 62a_100000210147_100009840081 [0,1,0,0,0,0|3,0,0]=4 868 B14R1.122 CCSCCCOCC1CNC(=O)O1 34a_100011216438_100000181169 [0,1,0,0,0,0|2,0,0]=3 869 B14R1.122 CCSCCCOCC1CNC(=O)O1 7a_100011216438_100000181169 [0,1,0,0,0,0|2,0,0]=3 870 B14R1.122 CCSCCCOCC1COC(=O)O1 34a_100011216438_100000073702 [0,1,0,0,0,0|2,0,0]=3 871 B14R1.122 CCSCCCOC[C@@H]1CCC(=O)N1 7a_100011216438_100015189358 [0,1,0,0,0,0|2,0,0]=3 872 B14R1.122 CCSCCCOC[C@H]1COC(=O)N1 34a_100011216438_100015307671 [0,1,0,0,0,0|3,0,0]=4 873 B14R1.122 CCSCCCOC[C@H]1COC(=O)N1 7a_100011216438_100015307671 [0,1,0,0,0,0|3,0,0]=4 874 B14R1.122 CCSCCOCCC1COS(=O)O1 7a_100000212035_100009840081 [0,1,0,0,0,0|3,0,0]=4 875 B14R1.122 CCSCCSCCC1COS(=O)O1 62a_100000757381_100009840081 [0,1,0,0,0,0|3,0,0]=4 876 B14R1.122 CNCCCCCOC1COC(=O)O1 34a_100000722520_100000032252 [0,1,0,0,0,0|2,0,0]=3 877 B14R1.122 CNCCOCCOC1COC(=O)O1 34a_100000228057_100000032252 [0,1,0,0,0,0|3,0,0]=4 878 B14R1.122 COCCCCCCN1CNC(=O)C1 2230a_200000708111_100011998445 [0,1,0,0,0,0|3,0,0]=4 879 B14R1.122 COCCCCCNC1COC(=O)O1 34a_100000747528_100000032252 [0,1,0,0,0,0|2,0,0]=3 880 B14R1.122 COCCCCNCC1CNC(=O)C1 2230a_100016993742_100000730899 [0,1,0,0,0,0|3,0,0]=4 881 B14R1.122 COCCCCNCC1CNC(=O)C1 34a_100016993742_100000755781 [0,1,0,0,0,0|3,0,0]=4 882 B14R1.122 COCCCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100000730899 [0,1,0,0,0,0|2,0,0]=3 883 B14R1.122 COCCCCNC[C@H]1CCC(=O)N1 34a_100015423886_100000755781 [0,1,0,0,0,0|2,0,0]=3 884 B14R1.122 COCCCCOCC1CCC(=O)N1 34a_100000737831_100000755781 [0,1,0,0,0,0|2,0,0]=3 885 B14R1.122 COCCCCOCC1CNC(=O)C1 34a_100016041077_100000755781 [0,1,0,0,0,0|3,0,0]=4 886 B14R1.122 COCCCCOCC1CNC(=O)O1 34a_100000740925_100000181169 [0,1,0,0,0,0|2,0,0]=3 887 B14R1.122 COCCCCOCC1CNC(=O)O1 34a_100011315639_100000755781 [0,1,0,0,0,0|2,0,0]=3 888 B14R1.122 COCCCCOCC1COC(=O)O1 34a_100000740925_100000073702 [0,1,0,0,0,0|2,0,0]=3 889 B14R1.122 COCCCCOC[C@H]1COC(=O)N1 34a_100000740925_100015307671 [0,1,0,0,0,0|3,0,0]=4 890 B14R1.122 COCCCCSCC1CNC(=O)O1 62a_100000181169_100000730899 [0,1,0,0,0,0|2,0,0]=3 891 B14R1.122 COCCCCSCC1CNC(=O)O1 62a_100000730899_100000181169 [0,1,0,0,0,0|2,0,0]=3 892 B14R1.122 COCCCCSCC1COC(=O)O1 62a_100000073702_100000730899 [0,1,0,0,0,0|2,0,0]=3 893 B14R1.122 COCCCCSCC1COC(=O)O1 62a_100000730899_100000073702 [0,1,0,0,0,0|2,0,0]=3 894 B14R1.122 COCCCCSC[C@@H]1CCC(=O)N1 62a_100000730899_100015189358 [0,1,0,0,0,0|2,0,0]=3 895 B14R1.122 COCCCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000730899 [0,1,0,0,0,0|2,0,0]=3 896 B14R1.122 COCCCCSC[C@H]1COC(=O)N1 62a_100000730899_100015307671 [0,1,0,0,0,0|3,0,0]=4 897 B14R1.122 COCCCCSC[C@H]1COC(=O)N1 62a_100015307671_100000730899 [0,1,0,0,0,0|3,0,0]=4 898 B14R1.122 COCCCSCCC1COS(=O)O1 62a_100000709357_100009840081 [0,1,0,0,0,0|3,0,0]=4 899 B14R1.122 COCCOCCNC1COC(=O)O1 34a_100000745349_100000032252 [0,1,0,0,0,0|3,0,0]=4 900 B14R1.122 COCCOCCOC1CCC(=O)C1 34a_100012614533_100000695917 [0,1,0,0,0,0|3,0,0]=4 901 B14R1.122 COCCOCCOC1COC(=O)O1 34a_100011215163_100000032252 [0,1,0,0,0,0|3,0,0]=4 902 B14R1.122 COCCOCCSC1COC(=O)O1 62a_100000695917_100000032252 [0,1,0,0,0,0|3,0,0]=4 903 B14R1.122 COCCOCNC[C@H]1CCC(=O)N1 2230a_100015423886_100000231047 [0,1,0,0,0,0|3,0,0]=4 904 B14R1.122 COCCOCSCC1CNC(=O)O1 62a_100000181169_100000231047 [0,1,0,0,0,0|3,0,0]=4 905 B14R1.122 COCCOCSCC1CNC(=O)O1 62a_100000231047_100000181169 [0,1,0,0,0,0|3,0,0]=4 906 B14R1.122 COCCOCSCC1COC(=O)O1 62a_100000073702_100000231047 [0,1,0,0,0,0|3,0,0]=4 907 B14R1.122 COCCOCSCC1COC(=O)O1 62a_100000231047_100000073702 [0,1,0,0,0,0|3,0,0]=4 908 B14R1.122 COCCOCSC[C@@H]1CCC(=O)N1 62a_100000231047_100015189358 [0,1,0,0,0,0|3,0,0]=4 909 B14R1.122 COCCOCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000231047 [0,1,0,0,0,0|3,0,0]=4 910 B14R1.122 CSCCCCOCC1CNC(=O)O1 34a_100011217163_100000181169 [0,1,0,0,0,0|2,0,0]=3 911 B14R1.122 CSCCCCOCC1CNC(=O)O1 7a_100011217163_100000181169 [0,1,0,0,0,0|2,0,0]=3 912 B14R1.122 CSCCCCOCC1COC(=O)O1 34a_100011217163_100000073702 [0,1,0,0,0,0|2,0,0]=3 913 B14R1.122 CSCCCCOC[C@@H]1CCC(=O)N1 7a_100011217163_100015189358 [0,1,0,0,0,0|2,0,0]=3 914 B14R1.122 CSCCCCOC[C@H]1COC(=O)N1 34a_100011217163_100015307671 [0,1,0,0,0,0|3,0,0]=4 915 B14R1.122 CSCCCCOC[C@H]1COC(=O)N1 7a_100011217163_100015307671 [0,1,0,0,0,0|3,0,0]=4 916 B14R1.122 CSCCCOCCC1COS(=O)O1 7a_100000690336_100009840081 [0,1,0,0,0,0|3,0,0]=4 917 B14R1.122 N#CCCCCCSC1COC(=O)O1 62a_100009813376_100000032252 [0,1,0,0,0,0|2,0,1]=4 918 B14R1.122 N#CCCCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100000211819 [0,1,0,0,0,0|2,0,1]=4 919 B14R1.122 N#CCCCCSCC1CNC(=O)O1 62a_100000181169_100000211819 [0,1,0,0,0,0|2,0,1]=4 920 B14R1.122 N#CCCCCSCC1CNC(=O)O1 62a_100011219923_100000181169 [0,1,0,0,0,0|2,0,1]=4 921 B14R1.122 N#CCCCCSCC1COC(=O)O1 62a_100000073702_100000211819 [0,1,0,0,0,0|2,0,1]=4 922 B14R1.122 N#CCCCCSCC1COC(=O)O1 62a_100011219923_100000073702 [0,1,0,0,0,0|2,0,1]=4 923 B14R1.122 N#CCCCCSC[C@@H]1CCC(=O)N1 62a_100011219923_100015189358 [0,1,0,0,0,0|2,0,1]=4 924 B14R1.122 N#CCCCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000211819 [0,1,0,0,0,0|2,0,1]=4 925 B14R1.122 NCCCCCCOC1COC(=O)O1 34a_100000686447_100000032252 [0,1,0,0,0,0|2,0,0]=3 926 B14R1.122 NCCCCCOCC1CNC(=O)O1 34a_100000762737_100000181169 [0,1,0,0,0,0|2,0,0]=3 927 B14R1.122 NCCCCCOCC1COC(=O)O1 34a_100000762737_100000073702 [0,1,0,0,0,0|2,0,0]=3 928 B14R1.122 NCCCCCOC[C@H]1COC(=O)N1 34a_100000762737_100015307671 [0,1,0,0,0,0|3,0,0]=4 929 B14R1.122 NCCOCCOCC1CNC(=O)O1 34a_100000211614_100000181169 [0,1,0,0,0,0|3,0,0]=4 930 B14R1.122 NCCOCCOCC1COC(=O)O1 34a_100000211614_100000073702 [0,1,0,0,0,0|3,0,0]=4 931 B14R1.122 O=C1CC(CN1)CNCCCCCF 2230a_100016993742_100000729378 [0,1,0,0,0,0|3,0,0]=4 932 B14R1.122 O=C1CC(CN1)CNCCCCCF 34a_100016993742_100000729378 [0,1,0,0,0,0|3,0,0]=4 933 B14R1.122 O=C1CC(CN1)CNCCCCCO 2230a_100016993742_100000746330 [0,1,0,0,0,0|3,0,0]=4 934 B14R1.122 O=C1CC(CN1)CNCCCCCO 34a_100016993742_100000746330 [0,1,0,0,0,0|3,0,0]=4 935 B14R1.122 O=C1CC(CN1)COCCCCCF 34a_100016041077_100000729378 [0,1,0,0,0,0|3,0,0]=4 936 B14R1.122 O=C1CC(CN1)COCCCCCO 34a_100016041077_100000746330 [0,1,0,0,0,0|3,0,0]=4 937 B14R1.122 O=C1CC(CN1)NCCCCCCF 2230a_100000697751_100015922095 [0,1,0,0,0,0|3,0,0]=4 938 B14R1.122 O=C1CC(CN1)NCCCCCCO 2230a_100000697751_100000766143 [0,1,0,0,0,0|3,0,0]=4 939 B14R1.122 O=C1CC(CN1)OCCCCCCF 34a_100000690082_100015922095 [0,1,0,0,0,0|3,0,0]=4 940 B14R1.122 O=C1CC(CN1)OCCCCCCO 34a_100000690082_100000766143 [0,1,0,0,0,0|3,0,0]=4 941 B14R1.122 O=C1CCC(C1)OCCCCCCF 34a_100012614533_100015922095 [0,1,0,0,0,0|2,0,0]=3 942 B14R1.122 O=C1CCC(C1)OCCCCCCO 34a_100012614533_100000766143 [0,1,0,0,0,0|2,0,0]=3 943 B14R1.122 O=C1CCC(N1)COCCCCCF 34a_100000737831_100000729378 [0,1,0,0,0,0|2,0,0]=3 944 B14R1.122 O=C1CCC(N1)COCCCCCO 34a_100000737831_100000746330 [0,1,0,0,0,0|2,0,0]=3 945 B14R1.122 O=C1CCC(N1)COCCOCCO 34a_100000737831_100000692535 [0,1,0,0,0,0|3,0,0]=4 946 B14R1.122 O=C1CC[C@@H](N1)CNCCCCCF 2230a_100015423886_100000729378 [0,1,0,0,0,0|2,0,0]=3 947 B14R1.122 O=C1CC[C@@H](N1)CNCCCCCF 34a_100015423886_100000729378 [0,1,0,0,0,0|2,0,0]=3 948 B14R1.122 O=C1CC[C@@H](N1)CNCCCCCO 2230a_100015423886_100000746330 [0,1,0,0,0,0|2,0,0]=3 949 B14R1.122 O=C1CC[C@@H](N1)CNCCCCCO 34a_100015423886_100000746330 [0,1,0,0,0,0|2,0,0]=3 950 B14R1.122 O=C1CC[C@@H](N1)CNCCOCCO 2230a_100015423886_100011215305 [0,1,0,0,0,0|3,0,0]=4 951 B14R1.122 O=C1CC[C@@H](N1)CNCCOCCO 34a_100015423886_100000692535 [0,1,0,0,0,0|3,0,0]=4 952 B14R1.122 O=C1CC[C@H](N1)CNCCCCCO 2230a_100000762737_100015189358 [0,1,0,0,0,0|2,0,0]=3 953 B14R1.122 O=C1CC[C@H](N1)CNCCOCCO 2230a_100000211614_100015189358 [0,1,0,0,0,0|3,0,0]=4 954 B14R1.122 O=C1CC[C@H](N1)CNCCSCCO 2230a_100011219999_100015189358 [0,1,0,0,0,0|3,0,0]=4 955 B14R1.122 O=C1CC[C@H](N1)COCCCCCBr 7a_100000746331_100015189358 [0,1,0,0,0,0|2,0,0]=3 956 B14R1.122 O=C1CC[C@H](N1)COCCCCCCl 7a_100000746330_100015189358 [0,1,0,0,0,0|2,0,0]=3 957 B14R1.122 O=C1CC[C@H](N1)COCCCCCI 7a_200012148887_100015189358 [0,1,0,0,0,0|2,0,0]=3 958 B14R1.122 O=C1CC[C@H](N1)COCCOCCBr 7a_100000692535_100015189358 [0,1,0,0,0,0|3,0,0]=4 959 B14R1.122 O=C1CC[C@H](N1)COCCOCCCl 7a_100011215305_100015189358 [0,1,0,0,0,0|3,0,0]=4 960 B14R1.122 O=C1CC[C@H](N1)COCCOCCF 7a_200015357709_100015189358 [0,1,0,0,0,0|3,0,0]=4 961 B14R1.122 O=C1CC[C@H](N1)COCCOCCI 7a_100012149058_100015189358 [0,1,0,0,0,0|3,0,0]=4 962 B14R1.122 O=C1CC[C@H](N1)CSCCCCCF 62a_100000729378_100015189358 [0,1,0,0,0,0|2,0,0]=3 963 B14R1.122 O=C1CC[C@H](N1)CSCCCCCF 62a_100015189358_100000729378 [0,1,0,0,0,0|2,0,0]=3 964 B14R1.122 O=C1CC[C@H](N1)CSCCCCCO 62a_100000746330_100015189358 [0,1,0,0,0,0|2,0,0]=3 965 B14R1.122 O=C1CC[C@H](N1)CSCCCCCO 62a_100015189358_100000746330 [0,1,0,0,0,0|2,0,0]=3 966 B14R1.122 O=C1CC[C@H](N1)CSCCOCCO 62a_100011215305_100015189358 [0,1,0,0,0,0|3,0,0]=4 967 B14R1.122 O=C1CC[C@H](N1)CSCCOCCO 62a_100015189358_100011215305 [0,1,0,0,0,0|3,0,0]=4 968 B14R1.122 O=C1CN(CN1)CCCCCCCO 2230a_200000708111_100000760002 [0,1,0,0,0,0|3,0,0]=4 969 B14R1.122 O=C1NCC(O1)CNCCCCCO 2230a_100000762737_100000181169 [0,1,0,0,0,0|2,0,0]=3 970 B14R1.122 O=C1NCC(O1)CNCCCCCO 34a_100000762737_100000181169 [0,1,0,0,0,0|2,0,0]=3 971 B14R1.122 O=C1NCC(O1)CNCCOCCO 2230a_100000211614_100000181169 [0,1,0,0,0,0|3,0,0]=4 972 B14R1.122 O=C1NCC(O1)CNCCOCCO 34a_100000211614_100000181169 [0,1,0,0,0,0|3,0,0]=4 973 B14R1.122 O=C1NCC(O1)CNCCSCCO 2230a_100011219999_100000181169 [0,1,0,0,0,0|3,0,0]=4 974 B14R1.122 O=C1NCC(O1)COCCCCCBr 34a_100000746331_100000181169 [0,1,0,0,0,0|2,0,0]=3 975 B14R1.122 O=C1NCC(O1)COCCCCCBr 7a_100000746331_100000181169 [0,1,0,0,0,0|2,0,0]=3 976 B14R1.122 O=C1NCC(O1)COCCCCCCl 34a_100000746330_100000181169 [0,1,0,0,0,0|2,0,0]=3 977 B14R1.122 O=C1NCC(O1)COCCCCCCl 7a_100000746330_100000181169 [0,1,0,0,0,0|2,0,0]=3 978 B14R1.122 O=C1NCC(O1)COCCCCCF 34a_100011315639_100000729378 [0,1,0,0,0,0|2,0,0]=3 979 B14R1.122 O=C1NCC(O1)COCCCCCI 34a_200012148887_100000181169 [0,1,0,0,0,0|2,0,0]=3 980 B14R1.122 O=C1NCC(O1)COCCCCCI 7a_200012148887_100000181169 [0,1,0,0,0,0|2,0,0]=3 981 B14R1.122 O=C1NCC(O1)COCCCCCO 34a_100011315639_100000746330 [0,1,0,0,0,0|2,0,0]=3 982 B14R1.122 O=C1NCC(O1)COCCOCCBr 34a_100000692535_100000181169 [0,1,0,0,0,0|3,0,0]=4 983 B14R1.122 O=C1NCC(O1)COCCOCCBr 7a_100000692535_100000181169 [0,1,0,0,0,0|3,0,0]=4 984 B14R1.122 O=C1NCC(O1)COCCOCCCl 34a_100011215305_100000181169 [0,1,0,0,0,0|3,0,0]=4 985 B14R1.122 O=C1NCC(O1)COCCOCCCl 7a_100011215305_100000181169 [0,1,0,0,0,0|3,0,0]=4 986 B14R1.122 O=C1NCC(O1)COCCOCCF 34a_200015357709_100000181169 [0,1,0,0,0,0|3,0,0]=4 987 B14R1.122 O=C1NCC(O1)COCCOCCF 7a_200015357709_100000181169 [0,1,0,0,0,0|3,0,0]=4 988 B14R1.122 O=C1NCC(O1)COCCOCCI 34a_100012149058_100000181169 [0,1,0,0,0,0|3,0,0]=4 989 B14R1.122 O=C1NCC(O1)COCCOCCI 7a_100012149058_100000181169 [0,1,0,0,0,0|3,0,0]=4 990 B14R1.122 O=C1NCC(O1)COCCOCCO 34a_100011315639_100000692535 [0,1,0,0,0,0|3,0,0]=4 991 B14R1.122 O=C1NCC(O1)CSCCCCCF 62a_100000181169_100000729378 [0,1,0,0,0,0|2,0,0]=3 992 B14R1.122 O=C1NCC(O1)CSCCCCCF 62a_100000729378_100000181169 [0,1,0,0,0,0|2,0,0]=3 993 B14R1.122 O=C1NCC(O1)CSCCCCCO 62a_100000181169_100000746330 [0,1,0,0,0,0|2,0,0]=3 994 B14R1.122 O=C1NCC(O1)CSCCCCCO 62a_100000746330_100000181169 [0,1,0,0,0,0|2,0,0]=3 995 B14R1.122 O=C1NCC(O1)CSCCOCCO 62a_100000181169_100011215305 [0,1,0,0,0,0|3,0,0]=4 996 B14R1.122 O=C1NCC(O1)CSCCOCCO 62a_100011215305_100000181169 [0,1,0,0,0,0|3,0,0]=4 997 B14R1.122 O=C1N[C@H](CO1)CNCCCCCO 2230a_100000762737_100015307671 [0,1,0,0,0,0|3,0,0]=4 998 B14R1.122 O=C1N[C@H](CO1)CNCCCCCO 34a_100000762737_100015307671 [0,1,0,0,0,0|3,0,0]=4 999 B14R1.122 O=C1N[C@H](CO1)COCCCCCBr 34a_100000746331_100015307671 [0,1,0,0,0,0|3,0,0]=4 1000 B14R1.122 O=C1N[C@H](CO1)COCCCCCBr 7a_100000746331_100015307671 [0,1,0,0,0,0|3,0,0]=4 1001 B14R1.122 O=C1N[C@H](CO1)COCCCCCCl 34a_100000746330_100015307671 [0,1,0,0,0,0|3,0,0]=4 1002 B14R1.122 O=C1N[C@H](CO1)COCCCCCCl 7a_100000746330_100015307671 [0,1,0,0,0,0|3,0,0]=4 1003 B14R1.122 O=C1N[C@H](CO1)COCCCCCI 34a_200012148887_100015307671 [0,1,0,0,0,0|3,0,0]=4 1004 B14R1.122 O=C1N[C@H](CO1)COCCCCCI 7a_200012148887_100015307671 [0,1,0,0,0,0|3,0,0]=4 1005 B14R1.122 O=C1N[C@H](CO1)CSCCCCCF 62a_100000729378_100015307671 [0,1,0,0,0,0|3,0,0]=4 1006 B14R1.122 O=C1N[C@H](CO1)CSCCCCCF 62a_100015307671_100000729378 [0,1,0,0,0,0|3,0,0]=4 1007 B14R1.122 O=C1N[C@H](CO1)CSCCCCCO 62a_100000746330_100015307671 [0,1,0,0,0,0|3,0,0]=4 1008 B14R1.122 O=C1N[C@H](CO1)CSCCCCCO 62a_100015307671_100000746330 [0,1,0,0,0,0|3,0,0]=4 1009 B14R1.122 O=C1OCC(O1)CNCCCCCO 34a_100000762737_100000073702 [0,1,0,0,0,0|2,0,0]=3 1010 B14R1.122 O=C1OCC(O1)CNCCOCCO 34a_100000211614_100000073702 [0,1,0,0,0,0|3,0,0]=4 1011 B14R1.122 O=C1OCC(O1)COCCCCCBr 34a_100000746331_100000073702 [0,1,0,0,0,0|2,0,0]=3 1012 B14R1.122 O=C1OCC(O1)COCCCCCCl 34a_100000746330_100000073702 [0,1,0,0,0,0|2,0,0]=3 1013 B14R1.122 O=C1OCC(O1)COCCCCCI 34a_200012148887_100000073702 [0,1,0,0,0,0|2,0,0]=3 1014 B14R1.122 O=C1OCC(O1)COCCOCCBr 34a_100000692535_100000073702 [0,1,0,0,0,0|3,0,0]=4 1015 B14R1.122 O=C1OCC(O1)COCCOCCCl 34a_100011215305_100000073702 [0,1,0,0,0,0|3,0,0]=4 1016 B14R1.122 O=C1OCC(O1)COCCOCCF 34a_200015357709_100000073702 [0,1,0,0,0,0|3,0,0]=4 1017 B14R1.122 O=C1OCC(O1)COCCOCCI 34a_100012149058_100000073702 [0,1,0,0,0,0|3,0,0]=4 1018 B14R1.122 O=C1OCC(O1)CSCCCCCF 62a_100000073702_100000729378 [0,1,0,0,0,0|2,0,0]=3 1019 B14R1.122 O=C1OCC(O1)CSCCCCCF 62a_100000729378_100000073702 [0,1,0,0,0,0|2,0,0]=3 1020 B14R1.122 O=C1OCC(O1)CSCCCCCO 62a_100000073702_100000746330 [0,1,0,0,0,0|2,0,0]=3 1021 B14R1.122 O=C1OCC(O1)CSCCCCCO 62a_100000746330_100000073702 [0,1,0,0,0,0|2,0,0]=3 1022 B14R1.122 O=C1OCC(O1)CSCCOCCO 62a_100000073702_100011215305 [0,1,0,0,0,0|3,0,0]=4 1023 B14R1.122 O=C1OCC(O1)CSCCOCCO 62a_100011215305_100000073702 [0,1,0,0,0,0|3,0,0]=4 1024 B14R1.122 O=C1OCC(O1)NCCCCCCO 34a_100000686447_100000032252 [0,1,0,0,0,0|2,0,0]=3 1025 B14R1.122 O=C1OCC(O1)OCCCCCCBr 34a_100011215345_100000032252 [0,1,0,0,0,0|2,0,0]=3 1026 B14R1.122 O=C1OCC(O1)OCCCCCCCl 34a_100000766143_100000032252 [0,1,0,0,0,0|2,0,0]=3 1027 B14R1.122 O=C1OCC(O1)OCCCCCCF 34a_100000732779_100000032252 [0,1,0,0,0,0|2,0,0]=3 1028 B14R1.122 O=C1OCC(O1)SCCCCCCF 62a_100015922095_100000032252 [0,1,0,0,0,0|2,0,0]=3 1029 B14R1.122 O=C1OCC(O1)SCCCCCCO 62a_100000766143_100000032252 [0,1,0,0,0,0|2,0,0]=3 1030 B14R1.122 O=CCCCCCSC1COC(=O)O1 62a_100000139337_100000032252 [0,1,0,0,0,0|2,0,1]=4 1031 B14R1.122 O=CCCCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100000139335 [0,1,0,0,0,0|2,0,1]=4 1032 B14R1.122 O=CCCCCSCC1CNC(=O)O1 62a_100000139335_100000181169 [0,1,0,0,0,0|2,0,1]=4 1033 B14R1.122 O=CCCCCSCC1CNC(=O)O1 62a_100000181169_100000139335 [0,1,0,0,0,0|2,0,1]=4 1034 B14R1.122 O=CCCCCSCC1COC(=O)O1 62a_100000073702_100000139335 [0,1,0,0,0,0|2,0,1]=4 1035 B14R1.122 O=CCCCCSCC1COC(=O)O1 62a_100000139335_100000073702 [0,1,0,0,0,0|2,0,1]=4 1036 B14R1.122 O=CCCCCSC[C@@H]1CCC(=O)N1 62a_100000139335_100015189358 [0,1,0,0,0,0|2,0,1]=4 1037 B14R1.122 O=CCCCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000139335 [0,1,0,0,0,0|2,0,1]=4 1038 B14R1.122 O=S1OCC(O1)CCOCCCCCl 7a_100000210776_100009840081 [0,1,0,0,0,0|3,0,0]=4 1039 B14R1.122 O=S1OCC(O1)CCOCCCCF 7a_100011995726_100009840081 [0,1,0,0,0,0|3,0,0]=4 1040 B14R1.122 O=S1OCC(O1)CCSCCCCF 62a_100000729493_100009840081 [0,1,0,0,0,0|3,0,0]=4 1041 B14R1.122 O=S1OCC(O1)CCSCCCCO 62a_100000210776_100009840081 [0,1,0,0,0,0|3,0,0]=4 1042 B14R1.128 CC(=O)CCCCOC1CCC(=O)C1 34a_100012614533_100009817362 [0,1,0,0,0,0|2,0,1]=4 1043 B14R1.128 CC(=O)CCCCSC1COC(=O)O1 62a_100000735457_100000032252 [0,1,0,0,0,0|2,0,1]=4 1044 B14R1.128 CC(=O)CCCNC[C@H]1CCC(=O)N1 34a_100015423886_100000685027 [0,1,0,0,0,0|2,0,1]=4 1045 B14R1.128 CC(=O)CCCOCC1CCC(=O)N1 34a_100000737831_100000685027 [0,1,0,0,0,0|2,0,1]=4 1046 B14R1.128 CC(=O)CCCOCC1CNC(=O)O1 34a_100000759063_100000181169 [0,1,0,0,0,0|2,0,1]=4 1047 B14R1.128 CC(=O)CCCOCC1CNC(=O)O1 34a_100011315639_100000685027 [0,1,0,0,0,0|2,0,1]=4 1048 B14R1.128 CC(=O)CCCOCC1CNC(=O)O1 7a_100000759063_100000181169 [0,1,0,0,0,0|2,0,1]=4 1049 B14R1.128 CC(=O)CCCOCC1COC(=O)O1 34a_100000759063_100000073702 [0,1,0,0,0,0|2,0,1]=4 1050 B14R1.128 CC(=O)CCCOC[C@@H]1CCC(=O)N1 7a_100000759063_100015189358 [0,1,0,0,0,0|2,0,1]=4 1051 B14R1.128 CC(=O)CCCSCC1CNC(=O)O1 62a_100000181169_100011215641 [0,1,0,0,0,0|2,0,1]=4 1052 B14R1.128 CC(=O)CCCSCC1CNC(=O)O1 62a_100011215641_100000181169 [0,1,0,0,0,0|2,0,1]=4 1053 B14R1.128 CC(=O)CCCSCC1COC(=O)O1 62a_100000073702_100011215641 [0,1,0,0,0,0|2,0,1]=4 1054 B14R1.128 CC(=O)CCCSCC1COC(=O)O1 62a_100011215641_100000073702 [0,1,0,0,0,0|2,0,1]=4 1055 B14R1.128 CC(=O)CCCSC[C@@H]1CCC(=O)N1 62a_100011215641_100015189358 [0,1,0,0,0,0|2,0,1]=4 1056 B14R1.128 CC(=O)CCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100011215641 [0,1,0,0,0,0|2,0,1]=4 1057 B14R1.128 CC(C)CCCCCN1CNC(=O)C1 2230a_200000708111_100000210682 [0,1,0,0,0,0|3,0,0]=4 1058 B14R1.128 CC(C)CCCCNC1CNC(=O)C1 2230a_100000697751_100011216152 [0,1,0,0,0,0|3,0,0]=4 1059 B14R1.128 CC(C)CCCCOC1CCC(=O)C1 34a_100012614533_100011216152 [0,1,0,0,0,0|2,0,0]=3 1060 B14R1.128 CC(C)CCCCOC1CNC(=O)C1 34a_100000690082_100011216152 [0,1,0,0,0,0|3,0,0]=4 1061 B14R1.128 CC(C)CCCCOC1COC(=O)O1 34a_100011214890_100000032252 [0,1,0,0,0,0|2,0,0]=3 1062 B14R1.128 CC(C)CCCCSC1COC(=O)O1 62a_100011216152_100000032252 [0,1,0,0,0,0|2,0,0]=3 1063 B14R1.128 CC(C)CCCNCC1CNC(=O)C1 2230a_100016993742_100011214892 [0,1,0,0,0,0|3,0,0]=4 1064 B14R1.128 CC(C)CCCNCC1CNC(=O)C1 34a_100016993742_100011214892 [0,1,0,0,0,0|3,0,0]=4 1065 B14R1.128 CC(C)CCCNCC1CNC(=O)O1 2230a_200000737386_100000181169 [0,1,0,0,0,0|2,0,0]=3 1066 B14R1.128 CC(C)CCCNCC1CNC(=O)O1 34a_200000737386_100000181169 [0,1,0,0,0,0|2,0,0]=3 1067 B14R1.128 CC(C)CCCNCC1COC(=O)O1 34a_200000737386_100000073702 [0,1,0,0,0,0|2,0,0]=3 1068 B14R1.128 CC(C)CCCNC[C@@H]1CCC(=O)N1 2230a_200000737386_100015189358 [0,1,0,0,0,0|2,0,0]=3 1069 B14R1.128 CC(C)CCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100011214892 [0,1,0,0,0,0|2,0,0]=3 1070 B14R1.128 CC(C)CCCNC[C@H]1CCC(=O)N1 34a_100015423886_100011214892 [0,1,0,0,0,0|2,0,0]=3 1071 B14R1.128 CC(C)CCCNC[C@H]1COC(=O)N1 2230a_200000737386_100015307671 [0,1,0,0,0,0|3,0,0]=4 1072 B14R1.128 CC(C)CCCNC[C@H]1COC(=O)N1 34a_200000737386_100015307671 [0,1,0,0,0,0|3,0,0]=4 1073 B14R1.128 CC(C)CCCOCC1CCC(=O)N1 34a_100000737831_100011214892 [0,1,0,0,0,0|2,0,0]=3 1074 B14R1.128 CC(C)CCCOCC1CNC(=O)C1 34a_100016041077_100011214892 [0,1,0,0,0,0|3,0,0]=4 1075 B14R1.128 CC(C)CCCOCC1CNC(=O)O1 34a_100000210774_100000181169 [0,1,0,0,0,0|2,0,0]=3 1076 B14R1.128 CC(C)CCCOCC1CNC(=O)O1 34a_100011315639_100011214892 [0,1,0,0,0,0|2,0,0]=3 1077 B14R1.128 CC(C)CCCOCC1CNC(=O)O1 7a_100000210774_100000181169 [0,1,0,0,0,0|2,0,0]=3 1078 B14R1.128 CC(C)CCCOCC1COC(=O)O1 34a_100000210774_100000073702 [0,1,0,0,0,0|2,0,0]=3 1079 B14R1.128 CC(C)CCCOC[C@@H]1CCC(=O)N1 7a_100000210774_100015189358 [0,1,0,0,0,0|2,0,0]=3 1080 B14R1.128 CC(C)CCCOC[C@H]1COC(=O)N1 34a_100000210774_100015307671 [0,1,0,0,0,0|3,0,0]=4 1081 B14R1.128 CC(C)CCCOC[C@H]1COC(=O)N1 7a_100000210774_100015307671 [0,1,0,0,0,0|3,0,0]=4 1082 B14R1.128 CC(C)CCCSCC1CNC(=O)O1 62a_100000181169_100011214892 [0,1,0,0,0,0|2,0,0]=3 1083 B14R1.128 CC(C)CCCSCC1CNC(=O)O1 62a_100011214892_100000181169 [0,1,0,0,0,0|2,0,0]=3 1084 B14R1.128 CC(C)CCCSCC1COC(=O)O1 62a_100000073702_100011214892 [0,1,0,0,0,0|2,0,0]=3 1085 B14R1.128 CC(C)CCCSCC1COC(=O)O1 62a_100011214892_100000073702 [0,1,0,0,0,0|2,0,0]=3 1086 B14R1.128 CC(C)CCCSC[C@@H]1CCC(=O)N1 62a_100011214892_100015189358 [0,1,0,0,0,0|2,0,0]=3 1087 B14R1.128 CC(C)CCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100011214892 [0,1,0,0,0,0|2,0,0]=3 1088 B14R1.128 CC(C)CCCSC[C@H]1COC(=O)N1 62a_100011214892_100015307671 [0,1,0,0,0,0|3,0,0]=4 1089 B14R1.128 CC(C)CCCSC[C@H]1COC(=O)N1 62a_100015307671_100011214892 [0,1,0,0,0,0|3,0,0]=4 1090 B14R1.128 CC(C)CCOCCC1COS(=O)O1 7a_100000210254_100009840081 [0,1,0,0,0,0|3,0,0]=4 1091 B14R1.128 CC(C)CCSCCC1COS(=O)O1 62a_100000210312_100009840081 [0,1,0,0,0,0|3,0,0]=4 1092 B14R1.128 CC(C)CNCCOC1COC(=O)O1 34a_100015185251_100000032252 [0,1,0,0,0,0|3,0,0]=4 1093 B14R1.128 CC(C)COCCOC1COC(=O)O1 34a_100000703358_100000032252 [0,1,0,0,0,0|3,0,0]=4 1094 B14R1.128 CC(C)CSCCOC1COC(=O)O1 34a_200000230437_100000032252 [0,1,0,0,0,0|3,0,0]=4 1095 B14R1.128 CC(C)NCCCOC1COC(=O)O1 34a_100000182298_100000032252 [0,1,0,0,0,0|3,0,0]=4 1096 B14R1.128 CC(C)NCCOCC1CNC(=O)O1 34a_100000224655_100000181169 [0,1,0,0,0,0|3,0,0]=4 1097 B14R1.128 CC(C)NCCOCC1COC(=O)O1 34a_100000224655_100000073702 [0,1,0,0,0,0|3,0,0]=4 1098 B14R1.128 CC(C)OCCCNC1COC(=O)O1 34a_100000737246_100000032252 [0,1,0,0,0,0|3,0,0]=4 1099 B14R1.128 CC(C)OCCNCC1CNC(=O)O1 2230a_100000701111_100000181169 [0,1,0,0,0,0|3,0,0]=4 1100 B14R1.128 CC(C)OCCNCC1CNC(=O)O1 34a_100000701111_100000181169 [0,1,0,0,0,0|3,0,0]=4 1101 B14R1.128 CC(C)OCCNCC1COC(=O)O1 34a_100000701111_100000073702 [0,1,0,0,0,0|3,0,0]=4 1102 B14R1.128 CC(C)OCCNC[C@@H]1CCC(=O)N1 2230a_100000701111_100015189358 [0,1,0,0,0,0|3,0,0]=4 1103 B14R1.128 CC(C)OCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100000211751 [0,1,0,0,0,0|3,0,0]=4 1104 B14R1.128 CC(C)OCCNC[C@H]1CCC(=O)N1 34a_100015423886_100000211751 [0,1,0,0,0,0|3,0,0]=4 1105 B14R1.128 CC(C)OCCOCC1CCC(=O)N1 34a_100000737831_100000211751 [0,1,0,0,0,0|3,0,0]=4 1106 B14R1.128 CC(C)OCCOCC1CNC(=O)O1 34a_100000211219_100000181169 [0,1,0,0,0,0|3,0,0]=4 1107 B14R1.128 CC(C)OCCOCC1CNC(=O)O1 34a_100011315639_100000211751 [0,1,0,0,0,0|3,0,0]=4 1108 B14R1.128 CC(C)OCCOCC1CNC(=O)O1 7a_100000211219_100000181169 [0,1,0,0,0,0|3,0,0]=4 1109 B14R1.128 CC(C)OCCOCC1COC(=O)O1 34a_100000211219_100000073702 [0,1,0,0,0,0|3,0,0]=4 1110 B14R1.128 CC(C)OCCOC[C@@H]1CCC(=O)N1 7a_100000211219_100015189358 [0,1,0,0,0,0|3,0,0]=4 1111 B14R1.128 CC(C)OCCSCC1CNC(=O)O1 62a_100000181169_100000211751 [0,1,0,0,0,0|3,0,0]=4 1112 B14R1.128 CC(C)OCCSCC1CNC(=O)O1 62a_100000211751_100000181169 [0,1,0,0,0,0|3,0,0]=4 1113 B14R1.128 CC(C)OCCSCC1COC(=O)O1 62a_100000073702_100000211751 [0,1,0,0,0,0|3,0,0]=4 1114 B14R1.128 CC(C)OCCSCC1COC(=O)O1 62a_100000211751_100000073702 [0,1,0,0,0,0|3,0,0]=4 1115 B14R1.128 CC(C)OCCSC[C@@H]1CCC(=O)N1 62a_100000211751_100015189358 [0,1,0,0,0,0|3,0,0]=4 1116 B14R1.128 CC(C)OCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000211751 [0,1,0,0,0,0|3,0,0]=4 1117 B14R1.128 CC(C)SCCNCC1CNC(=O)O1 2230a_100000731138_100000181169 [0,1,0,0,0,0|3,0,0]=4 1118 B14R1.128 CC(C)SCCNCC1CNC(=O)O1 34a_100000731138_100000181169 [0,1,0,0,0,0|3,0,0]=4 1119 B14R1.128 CC(C)SCCNCC1COC(=O)O1 34a_100000731138_100000073702 [0,1,0,0,0,0|3,0,0]=4 1120 B14R1.128 CC(C)SCCNC[C@@H]1CCC(=O)N1 2230a_100000731138_100015189358 [0,1,0,0,0,0|3,0,0]=4 1121 B14R1.128 CC(C)SCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100000730970 [0,1,0,0,0,0|3,0,0]=4 1122 B14R1.128 CC(C)SCCNC[C@H]1CCC(=O)N1 34a_100015423886_100000730970 [0,1,0,0,0,0|3,0,0]=4 1123 B14R1.128 CC(C)SCCOCC1CCC(=O)N1 34a_100000737831_100000730970 [0,1,0,0,0,0|3,0,0]=4 1124 B14R1.128 CC(C)SCCOCC1CNC(=O)O1 34a_100011315639_100000730970 [0,1,0,0,0,0|3,0,0]=4 1125 B14R1.128 CC(C)SCCOCC1CNC(=O)O1 34a_200011212901_100000181169 [0,1,0,0,0,0|3,0,0]=4 1126 B14R1.128 CC(C)SCCOCC1CNC(=O)O1 7a_200011212901_100000181169 [0,1,0,0,0,0|3,0,0]=4 1127 B14R1.128 CC(C)SCCOCC1COC(=O)O1 34a_200011212901_100000073702 [0,1,0,0,0,0|3,0,0]=4 1128 B14R1.128 CC(C)SCCOC[C@@H]1CCC(=O)N1 7a_200011212901_100015189358 [0,1,0,0,0,0|3,0,0]=4 1129 B14R1.128 CC(C)SCCSCC1CNC(=O)O1 62a_100000181169_100000730970 [0,1,0,0,0,0|3,0,0]=4 1130 B14R1.128 CC(C)SCCSCC1CNC(=O)O1 62a_100000730970_100000181169 [0,1,0,0,0,0|3,0,0]=4 1131 B14R1.128 CC(C)SCCSCC1COC(=O)O1 62a_100000073702_100000730970 [0,1,0,0,0,0|3,0,0]=4 1132 B14R1.128 CC(C)SCCSCC1COC(=O)O1 62a_100000730970_100000073702 [0,1,0,0,0,0|3,0,0]=4 1133 B14R1.128 CC(C)SCCSC[C@@H]1CCC(=O)N1 62a_100000730970_100015189358 [0,1,0,0,0,0|3,0,0]=4 1134 B14R1.128 CC(C)SCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000730970 [0,1,0,0,0,0|3,0,0]=4 1135 B14R1.128 CC(O)CCCNCC1CNC(=O)C1 2230a_100016993742_200000718107 [0,1,0,0,0,0|3,0,0]=4 1136 B14R1.128 CC(O)CCCNCC1CNC(=O)C1 34a_100016993742_200000718107 [0,1,0,0,0,0|3,0,0]=4 1137 B14R1.128 CC(O)CCCNC[C@H]1CCC(=O)N1 2230a_100015423886_200000718107 [0,1,0,0,0,0|2,0,0]=3 1138 B14R1.128 CC(O)CCCNC[C@H]1CCC(=O)N1 34a_100015423886_200000718107 [0,1,0,0,0,0|2,0,0]=3 1139 B14R1.128 CC(O)CCCOCC1CCC(=O)N1 34a_100000737831_200000718107 [0,1,0,0,0,0|2,0,0]=3 1140 B14R1.128 CC(O)CCCOCC1CNC(=O)C1 34a_100016041077_200000718107 [0,1,0,0,0,0|3,0,0]=4 1141 B14R1.128 CC(O)CCCOCC1CNC(=O)O1 34a_100011315639_200000718107 [0,1,0,0,0,0|2,0,0]=3 1142 B14R1.128 CC(O)CCCSCC1CNC(=O)O1 62a_100000181169_200000718107 [0,1,0,0,0,0|2,0,0]=3 1143 B14R1.128 CC(O)CCCSCC1CNC(=O)O1 62a_200000718107_100000181169 [0,1,0,0,0,0|2,0,0]=3 1144 B14R1.128 CC(O)CCCSCC1COC(=O)O1 62a_100000073702_200000718107 [0,1,0,0,0,0|2,0,0]=3 1145 B14R1.128 CC(O)CCCSCC1COC(=O)O1 62a_200000718107_100000073702 [0,1,0,0,0,0|2,0,0]=3 1146 B14R1.128 CC(O)CCCSC[C@@H]1CCC(=O)N1 62a_100015189358_200000718107 [0,1,0,0,0,0|2,0,0]=3 1147 B14R1.128 CC(O)CCCSC[C@@H]1CCC(=O)N1 62a_200000718107_100015189358 [0,1,0,0,0,0|2,0,0]=3 1148 B14R1.128 CC(O)CCCSC[C@H]1COC(=O)N1 62a_100015307671_200000718107 [0,1,0,0,0,0|3,0,0]=4 1149 B14R1.128 CC(O)CCCSC[C@H]1COC(=O)N1 62a_200000718107_100015307671 [0,1,0,0,0,0|3,0,0]=4 1150 B14R1.128 CC(O)CCSCCC1COS(=O)O1 62a_100012276601_100009840081 [0,1,0,0,0,0|3,0,0]=4 1151 B14R1.128 CN(C)CCCSCC1CNC(=O)O1 62a_100000181169_100000757444 [0,1,0,0,0,0|3,0,0]=4 1152 B14R1.128 CN(C)CCCSCC1COC(=O)O1 62a_100000073702_100000757444 [0,1,0,0,0,0|3,0,0]=4 1153 B14R1.128 CN(C)CCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000757444 [0,1,0,0,0,0|3,0,0]=4 1154 B14R1.128 CS(=O)CCCNCC1CNC(=O)O1 2230a_200000753449_100000181169 [0,1,0,0,0,0|3,0,0]=4 1155 B14R1.128 CS(=O)CCCNC[C@@H]1CCC(=O)N1 2230a_200000753449_100015189358 [0,1,0,0,0,0|3,0,0]=4 1156 B14R1.155 CC(CCCCl)OCC1CNC(=O)O1 34a_200000718107_100000181169 [0,1,0,0,0,0|3,0,0]=4 1157 B14R1.155 CC(CCCCl)OCC1CNC(=O)O1 7a_200000718107_100000181169 [0,1,0,0,0,0|3,0,0]=4 1158 B14R1.155 CC(CCCCl)OCC1COC(=O)O1 34a_200000718107_100000073702 [0,1,0,0,0,0|3,0,0]=4 1159 B14R1.155 CC(CCCCl)OC[C@@H]1CCC(=O)N1 7a_200000718107_100015189358 [0,1,0,0,0,0|3,0,0]=4 1160 B14R1.155 CCCCC(=O)CCC1COS(=O)O1 1458a_100000210183_100009840081 [0,1,0,0,0,0|2,0,1]=4 1161 B14R1.155 CCCCC(=O)NC[C@H]1CCC(=O)N1 11a_100015423886_100000210183 [0,1,0,0,0,0|2,0,1]=4 1162 B14R1.155 CCCCC(=O)NC[C@H]1CCC(=O)N1 1626a_100015423886_100000210183 [0,1,0,0,0,0|2,0,1]=4 1163 B14R1.155 CCCCC(=O)NC[C@H]1CCC(=O)N1 240690a_100015423886_100000210183 [0,1,0,0,0,0|2,0,1]=4 1164 B14R1.155 CCCCC(=O)NC[C@H]1CCC(=O)N1 527a_100015423886_100000210183 [0,1,0,0,0,0|2,0,1]=4 1165 B14R1.155 CCCCC(C)COC1COC(=O)O1 34a_100011995851_100000032252 [0,1,0,0,0,0|2,0,0]=3 1166 B14R1.155 CCCCC(C)NCC1CNC(=O)C1 2230a_100016993742_200011215066 [0,1,0,0,0,0|3,0,0]=4 1167 B14R1.155 CCCCC(C)NCC1CNC(=O)C1 34a_100016993742_200011215066 [0,1,0,0,0,0|3,0,0]=4 1168 B14R1.155 CCCCC(C)NCC1CNC(=O)O1 2230a_100000126638_100000181169 [0,1,0,0,0,0|2,0,0]=3 1169 B14R1.155 CCCCC(C)NC[C@@H]1CCC(=O)N1 2230a_100000126638_100015189358 [0,1,0,0,0,0|2,0,0]=3 1170 B14R1.155 CCCCC(C)NC[C@H]1CCC(=O)N1 2230a_100015423886_200011215066 [0,1,0,0,0,0|2,0,0]=3 1171 B14R1.155 CCCCC(C)NC[C@H]1CCC(=O)N1 270004a_100015423886_100000210087 [0,1,0,0,0,0|2,0,0]=3 1172 B14R1.155 CCCCC(C)NC[C@H]1CCC(=O)N1 34a_100015423886_200011215066 [0,1,0,0,0,0|2,0,0]=3 1173 B14R1.155 CCCCC(C)NC[C@H]1COC(=O)N1 2230a_100000126638_100015307671 [0,1,0,0,0,0|3,0,0]=4 1174 B14R1.155 CCCCC(C)OCC1CCC(=O)N1 34a_100000737831_200011215066 [0,1,0,0,0,0|2,0,0]=3 1175 B14R1.155 CCCCC(C)OCC1CNC(=O)C1 34a_100016041077_200011215066 [0,1,0,0,0,0|3,0,0]=4 1176 B14R1.155 CCCCC(C)OCC1CNC(=O)O1 34a_100000687866_100000181169 [0,1,0,0,0,0|2,0,0]=3 1177 B14R1.155 CCCCC(C)OCC1CNC(=O)O1 34a_100011315639_200011215066 [0,1,0,0,0,0|2,0,0]=3 1178 B14R1.155 CCCCC(C)OCC1CNC(=O)O1 7a_100000687866_100000181169 [0,1,0,0,0,0|2,0,0]=3 1179 B14R1.155 CCCCC(C)OCC1COC(=O)O1 34a_100000687866_100000073702 [0,1,0,0,0,0|2,0,0]=3 1180 B14R1.155 CCCCC(C)OC[C@@H]1CCC(=O)N1 7a_100000687866_100015189358 [0,1,0,0,0,0|2,0,0]=3 1181 B14R1.155 CCCCC(C)OC[C@H]1COC(=O)N1 34a_100000687866_100015307671 [0,1,0,0,0,0|3,0,0]=4 1182 B14R1.155 CCCCC(C)OC[C@H]1COC(=O)N1 7a_100000687866_100015307671 [0,1,0,0,0,0|3,0,0]=4 1183 B14R1.155 CCCCC(C)SCC1CNC(=O)O1 62a_100000181169_200011215066 [0,1,0,0,0,0|2,0,0]=3 1184 B14R1.155 CCCCC(C)SCC1CNC(=O)O1 62a_200011215066_100000181169 [0,1,0,0,0,0|2,0,0]=3 1185 B14R1.155 CCCCC(C)SCC1COC(=O)O1 62a_100000073702_200011215066 [0,1,0,0,0,0|2,0,0]=3 1186 B14R1.155 CCCCC(C)SCC1COC(=O)O1 62a_200011215066_100000073702 [0,1,0,0,0,0|2,0,0]=3 1187 B14R1.155 CCCCC(C)SC[C@@H]1CCC(=O)N1 62a_100015189358_200011215066 [0,1,0,0,0,0|2,0,0]=3 1188 B14R1.155 CCCCC(C)SC[C@@H]1CCC(=O)N1 62a_200011215066_100015189358 [0,1,0,0,0,0|2,0,0]=3 1189 B14R1.155 CCCCC(C)SC[C@H]1COC(=O)N1 62a_100015307671_200011215066 [0,1,0,0,0,0|3,0,0]=4 1190 B14R1.155 CCCCC(C)SC[C@H]1COC(=O)N1 62a_200011215066_100015307671 [0,1,0,0,0,0|3,0,0]=4 1191 B14R1.155 CCCCN(C)CCC1COS(=O)O1 269982a_100000207549_100009840081 [0,1,0,0,0,0|3,0,0]=4 1192 B14R1.155 CCCC[C@H](N)COC1COC(=O)O1 34a_100011934283_100000032252 [0,1,0,0,0,0|2,0,0]=3 1193 B14R1.155 CCCOC(C)CNC1COC(=O)O1 34a_100015185124_100000032252 [0,1,0,0,0,0|3,0,0]=4 1194 B14R1.155 CCOCC(C)OCC1CNC(=O)O1 34a_100000718985_100000181169 [0,1,0,0,0,0|3,0,0]=4 1195 B14R1.155 CCOCC(C)OCC1CNC(=O)O1 7a_100000718985_100000181169 [0,1,0,0,0,0|3,0,0]=4 1196 B14R1.155 CCOCC(C)OCC1COC(=O)O1 34a_100000718985_100000073702 [0,1,0,0,0,0|3,0,0]=4 1197 B14R1.155 CCOCC(C)OC[C@@H]1CCC(=O)N1 7a_100000718985_100015189358 [0,1,0,0,0,0|3,0,0]=4 1198 B14R1.155 CCOCC(O)CNC1COC(=O)O1 34a_102515437182_100000032252 [0,1,0,0,0,0|3,0,0]=4 1199 B14R1.155 CCSCC(C)NC[C@H]1CCC(=O)N1 270004a_100015423886_200011216171 [0,1,0,0,0,0|3,0,0]=4 1200 B14R1.155 COCCC(C)NC[C@H]1CCC(=O)N1 270004a_100015423886_100000742357 [0,1,0,0,0,0|3,0,0]=4 1201 B14R1.155 CSCCC(C)NC[C@H]1CCC(=O)N1 270004a_100015423886_100011217047 [0,1,0,0,0,0|3,0,0]=4 1202 B14R1.155 CSCC[C@H](N)COC1COC(=O)O1 34a_100011827619_100000032252 [0,1,0,0,0,0|3,0,0]=4 1203 B14R1.155 C[C@H](CCCO)CNC1COC(=O)O1 34a_100160569302_100000032252 [0,1,0,0,0,0|3,0,0]=4 1204 B14R1.157 CCCCCC(=O)CC1CCC(=O)N1 1458a_100000026770_100000210326 [0,1,0,0,0,0|1,0,1]=3 1205 B14R1.157 CCCCCC(=O)CC1CNC(=O)O1 1458a_100000212188_100000181169 [0,1,0,0,0,0|1,0,1]=3 1206 B14R1.157 CCCCCC(=O)CC1COC(=O)O1 1458a_100000212188_100000073702 [0,1,0,0,0,0|1,0,1]=3 1207 B14R1.157 CCCCCC(=O)C[C@@H]1CCC(=O)N1 1458a_100000212188_100015189358 [0,1,0,0,0,0|1,0,1]=3 1208 B14R1.157 CCCCCC(=O)C[C@H]1COC(=O)N1 1458a_100000212188_100015307671 [0,1,0,0,0,0|2,0,1]=4 1209 B14R1.157 CCCCCC(C)NC1CNC(=O)C1 2230a_100000697751_200011218191 [0,1,0,0,0,0|3,0,0]=4 1210 B14R1.157 CCCCCC(C)OC1CCC(=O)C1 34a_100012614533_200011218191 [0,1,0,0,0,0|2,0,0]=3 1211 B14R1.157 CCCCCC(C)OC1CNC(=O)C1 34a_100000690082_200011218191 [0,1,0,0,0,0|3,0,0]=4 1212 B14R1.157 CCCCCC(C)OC1COC(=O)O1 34a_100011215632_100000032252 [0,1,0,0,0,0|2,0,0]=3 1213 B14R1.157 CCCCCC(C)SC1COC(=O)O1 62a_200011218191_100000032252 [0,1,0,0,0,0|2,0,0]=3 1214 B14R1.157 CCCCCN(C)CC1CNC(=O)O1 2230a_100000223495_100000181169 [0,1,0,0,0,0|2,0,0]=3 1215 B14R1.157 CCCCCN(C)CC1CNC(=O)O1 269982a_100000223495_100000181169 [0,1,0,0,0,0|2,0,0]=3 1216 B14R1.157 CCCCCN(C)CC1COC(=O)O1 269982a_100000223495_100000073702 [0,1,0,0,0,0|2,0,0]=3 1217 B14R1.157 CCCCCN(C)C[C@@H]1CCC(=O)N1 2230a_100000223495_100015189358 [0,1,0,0,0,0|2,0,0]=3 1218 B14R1.157 CCCCCN(C)C[C@@H]1CCC(=O)N1 269982a_100000223495_100015189358 [0,1,0,0,0,0|2,0,0]=3 1219 B14R1.157 CCCCCN(C)C[C@H]1COC(=O)N1 2230a_100000223495_100015307671 [0,1,0,0,0,0|3,0,0]=4 1220 B14R1.157 CCCCCN(C)C[C@H]1COC(=O)N1 269982a_100000223495_100015307671 [0,1,0,0,0,0|3,0,0]=4 1221 B14R1.157 CCCCNC(=O)CC1CCC(=O)N1 1626a_100000102301_100000026770 [0,1,0,0,0,0|2,0,1]=4 1222 B14R1.157 CCCCNC(=O)CC1CCC(=O)N1 240690a_100000102301_100000026770 [0,1,0,0,0,0|2,0,1]=4 1223 B14R1.157 CCCOCC(=O)CC1CNC(=O)O1 1458a_100000745993_100000181169 [0,1,0,0,0,0|2,0,1]=4 1224 B14R1.157 CCCOCC(=O)CC1COC(=O)O1 1458a_100000745993_100000073702 [0,1,0,0,0,0|2,0,1]=4 1225 B14R1.157 CCCOCC(=O)C[C@@H]1CCC(=O)N1 1458a_100000745993_100015189358 [0,1,0,0,0,0|2,0,1]=4 1226 B14R1.157 CCCSCC(=O)CC1CNC(=O)O1 1458a_100000217233_100000181169 [0,1,0,0,0,0|2,0,1]=4 1227 B14R1.157 CCCSCC(=O)CC1COC(=O)O1 1458a_100000217233_100000073702 [0,1,0,0,0,0|2,0,1]=4 1228 B14R1.157 CCCSCC(=O)C[C@@H]1CCC(=O)N1 1458a_100000217233_100015189358 [0,1,0,0,0,0|2,0,1]=4 1229 B14R1.157 CCOCCC(=O)CC1CCC(=O)N1 1458a_100000026770_100011215890 [0,1,0,0,0,0|2,0,1]=4 1230 B14R1.157 CCOCCC(=O)CC1CNC(=O)O1 1458a_100000749530_100000181169 [0,1,0,0,0,0|2,0,1]=4 1231 B14R1.157 CCOCCC(=O)CC1COC(=O)O1 1458a_100000749530_100000073702 [0,1,0,0,0,0|2,0,1]=4 1232 B14R1.157 CCOCCC(=O)C[C@@H]1CCC(=O)N1 1458a_100000749530_100015189358 [0,1,0,0,0,0|2,0,1]=4 1233 B14R1.157 CCSCCC(=O)CC1CCC(=O)N1 1458a_100000026770_100000757381 [0,1,0,0,0,0|2,0,1]=4 1234 B14R1.157 CCSCCC(=O)CC1CNC(=O)O1 1458a_100000230768_100000181169 [0,1,0,0,0,0|2,0,1]=4 1235 B14R1.157 CCSCCC(=O)CC1COC(=O)O1 1458a_100000230768_100000073702 [0,1,0,0,0,0|2,0,1]=4 1236 B14R1.157 CCSCCC(=O)C[C@@H]1CCC(=O)N1 1458a_100000230768_100015189358 [0,1,0,0,0,0|2,0,1]=4 1237 B14R1.157 CN(CCCCO)CC1CNC(=O)O1 2230a_100000717598_100000181169 [0,1,0,0,0,0|3,0,0]=4 1238 B14R1.157 CN(CCCCO)CC1CNC(=O)O1 269982a_100000717598_100000181169 [0,1,0,0,0,0|3,0,0]=4 1239 B14R1.157 CN(CCCCO)CC1COC(=O)O1 269982a_100000717598_100000073702 [0,1,0,0,0,0|3,0,0]=4 1240 B14R1.157 CN(CCCCO)C[C@@H]1CCC(=O)N1 2230a_100000717598_100015189358 [0,1,0,0,0,0|3,0,0]=4 1241 B14R1.157 CN(CCCCO)C[C@@H]1CCC(=O)N1 269982a_100000717598_100015189358 [0,1,0,0,0,0|3,0,0]=4 1242 B14R1.157 COCCCC(=O)CC1CCC(=O)N1 1458a_100000026770_100000740836 [0,1,0,0,0,0|2,0,1]=4 1243 B14R1.157 COCCCC(=O)CC1CNC(=O)O1 1458a_100000741012_100000181169 [0,1,0,0,0,0|2,0,1]=4 1244 B14R1.157 COCCCC(=O)CC1COC(=O)O1 1458a_100000741012_100000073702 [0,1,0,0,0,0|2,0,1]=4 1245 B14R1.157 COCCCC(=O)C[C@@H]1CCC(=O)N1 1458a_100000741012_100015189358 [0,1,0,0,0,0|2,0,1]=4 1246 B14R1.157 COCCCC(C)OC1COC(=O)O1 34a_200011539412_100000032252 [0,1,0,0,0,0|3,0,0]=4 1247 B14R1.157 COCCCN(C)CC1CNC(=O)O1 2230a_100000224831_100000181169 [0,1,0,0,0,0|3,0,0]=4 1248 B14R1.157 COCCCN(C)CC1CNC(=O)O1 269982a_100000224831_100000181169 [0,1,0,0,0,0|3,0,0]=4 1249 B14R1.157 COCCCN(C)CC1COC(=O)O1 269982a_100000224831_100000073702 [0,1,0,0,0,0|3,0,0]=4 1250 B14R1.157 COCCCN(C)C[C@@H]1CCC(=O)N1 2230a_100000224831_100015189358 [0,1,0,0,0,0|3,0,0]=4 1251 B14R1.157 COCCCN(C)C[C@@H]1CCC(=O)N1 269982a_100000224831_100015189358 [0,1,0,0,0,0|3,0,0]=4 1252 B14R1.157 CSCCCC(=O)CC1CNC(=O)O1 1458a_100000173376_100000181169 [0,1,0,0,0,0|2,0,1]=4 1253 B14R1.157 CSCCCC(=O)CC1COC(=O)O1 1458a_100000173376_100000073702 [0,1,0,0,0,0|2,0,1]=4 1254 B14R1.157 CSCCCC(=O)C[C@@H]1CCC(=O)N1 1458a_100000173376_100015189358 [0,1,0,0,0,0|2,0,1]=4 1255 B14R1.157 O=C(CCCCF)CC1CCC(=O)N1 1458a_100000026770_100000729493 [0,1,0,0,0,0|2,0,1]=4 1256 B14R1.157 O=C(CCCCO)CC1CCC(=O)N1 1458a_100000026770_100000210776 [0,1,0,0,0,0|2,0,1]=4 1257 B14R1.157 O=C(CCCCO)CC1CNC(=O)O1 1458a_100000695505_100000181169 [0,1,0,0,0,0|2,0,1]=4 1258 B14R1.157 O=C(CCCCO)CC1COC(=O)O1 1458a_100000695505_100000073702 [0,1,0,0,0,0|2,0,1]=4 1259 B14R1.157 O=C(CCCCO)C[C@@H]1CCC(=O)N1 1458a_100000695505_100015189358 [0,1,0,0,0,0|2,0,1]=4 1260 B14R1.519 CC(CCN)COCC1CNC(=O)O1 34a_106354213184_100000181169 [0,1,0,0,0,0|3,0,0]=4 1261 B14R1.519 CC(CCN)COCC1COC(=O)O1 34a_106354213184_100000073702 [0,1,0,0,0,0|3,0,0]=4 1262 B14R1.519 CCCC(=O)CNC[C@H]1CCC(=O)N1 2230a_100015423886_100000747444 [0,1,0,0,0,0|2,0,1]=4 1263 B14R1.519 CCCC(=O)CSCC1CNC(=O)O1 62a_100000181169_100000747444 [0,1,0,0,0,0|2,0,1]=4 1264 B14R1.519 CCCC(=O)CSCC1CNC(=O)O1 62a_100000747444_100000181169 [0,1,0,0,0,0|2,0,1]=4 1265 B14R1.519 CCCC(=O)CSCC1COC(=O)O1 62a_100000073702_100000747444 [0,1,0,0,0,0|2,0,1]=4 1266 B14R1.519 CCCC(=O)CSCC1COC(=O)O1 62a_100000747444_100000073702 [0,1,0,0,0,0|2,0,1]=4 1267 B14R1.519 CCCC(=O)CSC[C@@H]1CCC(=O)N1 62a_100000747444_100015189358 [0,1,0,0,0,0|2,0,1]=4 1268 B14R1.519 CCCC(=O)CSC[C@@H]1CCC(=O)N1 62a_100015189358_100000747444 [0,1,0,0,0,0|2,0,1]=4 1269 B14R1.519 CCCC(C)CCOC1COC(=O)O1 34a_100011217855_100000032252 [0,1,0,0,0,0|2,0,0]=3 1270 B14R1.519 CCCC(C)CNCC1CNC(=O)C1 2230a_100016993742_100011216630 [0,1,0,0,0,0|3,0,0]=4 1271 B14R1.519 CCCC(C)CNCC1CNC(=O)C1 34a_100016993742_100011216630 [0,1,0,0,0,0|3,0,0]=4 1272 B14R1.519 CCCC(C)CNC[C@H]1CCC(=O)N1 2230a_100015423886_100011216630 [0,1,0,0,0,0|2,0,0]=3 1273 B14R1.519 CCCC(C)CNC[C@H]1CCC(=O)N1 270004a_100015423886_100000243154 [0,1,0,0,0,0|2,0,0]=3 1274 B14R1.519 CCCC(C)CNC[C@H]1CCC(=O)N1 34a_100015423886_100011216630 [0,1,0,0,0,0|2,0,0]=3 1275 B14R1.519 CCCC(C)COCC1CCC(=O)N1 34a_100000737831_100011216630 [0,1,0,0,0,0|2,0,0]=3 1276 B14R1.519 CCCC(C)COCC1CNC(=O)C1 34a_100016041077_100011216630 [0,1,0,0,0,0|3,0,0]=4 1277 B14R1.519 CCCC(C)COCC1CNC(=O)O1 34a_100000688023_100000181169 [0,1,0,0,0,0|2,0,0]=3 1278 B14R1.519 CCCC(C)COCC1CNC(=O)O1 34a_100011315639_100011216630 [0,1,0,0,0,0|2,0,0]=3 1279 B14R1.519 CCCC(C)COCC1CNC(=O)O1 7a_100000688023_100000181169 [0,1,0,0,0,0|2,0,0]=3 1280 B14R1.519 CCCC(C)COCC1COC(=O)O1 34a_100000688023_100000073702 [0,1,0,0,0,0|2,0,0]=3 1281 B14R1.519 CCCC(C)COC[C@@H]1CCC(=O)N1 7a_100000688023_100015189358 [0,1,0,0,0,0|2,0,0]=3 1282 B14R1.519 CCCC(C)COC[C@H]1COC(=O)N1 34a_100000688023_100015307671 [0,1,0,0,0,0|3,0,0]=4 1283 B14R1.519 CCCC(C)COC[C@H]1COC(=O)N1 7a_100000688023_100015307671 [0,1,0,0,0,0|3,0,0]=4 1284 B14R1.519 CCCC(C)CSCC1CNC(=O)O1 62a_100000181169_100011216630 [0,1,0,0,0,0|2,0,0]=3 1285 B14R1.519 CCCC(C)CSCC1CNC(=O)O1 62a_100011216630_100000181169 [0,1,0,0,0,0|2,0,0]=3 1286 B14R1.519 CCCC(C)CSCC1COC(=O)O1 62a_100000073702_100011216630 [0,1,0,0,0,0|2,0,0]=3 1287 B14R1.519 CCCC(C)CSCC1COC(=O)O1 62a_100011216630_100000073702 [0,1,0,0,0,0|2,0,0]=3 1288 B14R1.519 CCCC(C)CSC[C@@H]1CCC(=O)N1 62a_100011216630_100015189358 [0,1,0,0,0,0|2,0,0]=3 1289 B14R1.519 CCCC(C)CSC[C@@H]1CCC(=O)N1 62a_100015189358_100011216630 [0,1,0,0,0,0|2,0,0]=3 1290 B14R1.519 CCCC(C)CSC[C@H]1COC(=O)N1 62a_100011216630_100015307671 [0,1,0,0,0,0|3,0,0]=4 1291 B14R1.519 CCCC(C)CSC[C@H]1COC(=O)N1 62a_100015307671_100011216630 [0,1,0,0,0,0|3,0,0]=4 1292 B14R1.519 CCCC(C)OCCC1COS(=O)O1 7a_100000764384_100009840081 [0,1,0,0,0,0|3,0,0]=4 1293 B14R1.519 CCCC(C)SCCC1COS(=O)O1 62a_100000766640_100009840081 [0,1,0,0,0,0|3,0,0]=4 1294 B14R1.519 CCC[C@H](N)CCOC1COC(=O)O1 34a_100015193777_100000032252 [0,1,0,0,0,0|2,0,0]=3 1295 B14R1.519 CCC[C@H](N)COCC1CNC(=O)O1 34a_100000732646_100000181169 [0,1,0,0,0,0|2,0,0]=3 1296 B14R1.519 CCC[C@H](N)COCC1COC(=O)O1 34a_100000732646_100000073702 [0,1,0,0,0,0|2,0,0]=3 1297 B14R1.519 CCC[C@H](N)COC[C@H]1COC(=O)N1 34a_100000732646_100015307671 [0,1,0,0,0,0|3,0,0]=4 1298 B14R1.519 COCC(N)COCC1CNC(=O)O1 34a_100000724102_100000181169 [0,1,0,0,0,0|3,0,0]=4 1299 B14R1.519 COCC(N)COCC1COC(=O)O1 34a_100000724102_100000073702 [0,1,0,0,0,0|3,0,0]=4 1300 B14R1.519 COCC(O)CNCC1CNC(=O)O1 2230a_100000756049_100000181169 [0,1,0,0,0,0|3,0,0]=4 1301 B14R1.519 COCC(O)CNCC1CNC(=O)O1 34a_100000756049_100000181169 [0,1,0,0,0,0|3,0,0]=4 1302 B14R1.519 COCC(O)CNCC1COC(=O)O1 34a_100000756049_100000073702 [0,1,0,0,0,0|3,0,0]=4 1303 B14R1.519 COCC(O)CNC[C@@H]1CCC(=O)N1 2230a_100000756049_100015189358 [0,1,0,0,0,0|3,0,0]=4 1304 B14R1.519 COCC(O)CNC[C@H]1CCC(=O)N1 34a_100015423886_100011215053 [0,1,0,0,0,0|3,0,0]=4 1305 B14R1.519 COCC(O)COCC1CCC(=O)N1 34a_100000737831_100011215053 [0,1,0,0,0,0|3,0,0]=4 1306 B14R1.519 COCC(O)COCC1CNC(=O)O1 34a_100011315639_100011215053 [0,1,0,0,0,0|3,0,0]=4 1307 B14R1.519 COCC(O)CSCC1CNC(=O)O1 62a_100000181169_100011215053 [0,1,0,0,0,0|3,0,0]=4 1308 B14R1.519 COCC(O)CSCC1CNC(=O)O1 62a_100011215053_100000181169 [0,1,0,0,0,0|3,0,0]=4 1309 B14R1.519 COCC(O)CSCC1COC(=O)O1 62a_100000073702_100011215053 [0,1,0,0,0,0|3,0,0]=4 1310 B14R1.519 COCC(O)CSCC1COC(=O)O1 62a_100011215053_100000073702 [0,1,0,0,0,0|3,0,0]=4 1311 B14R1.519 COCC(O)CSC[C@@H]1CCC(=O)N1 62a_100011215053_100015189358 [0,1,0,0,0,0|3,0,0]=4 1312 B14R1.519 COCC(O)CSC[C@@H]1CCC(=O)N1 62a_100015189358_100011215053 [0,1,0,0,0,0|3,0,0]=4 1313 B14R1.715 CC(CO)CCNCC1CNC(=O)O1 2230a_106354213184_100000181169 [0,1,0,0,0,0|3,0,0]=4 1314 B14R1.715 CC(CO)CCNCC1CNC(=O)O1 34a_106354213184_100000181169 [0,1,0,0,0,0|3,0,0]=4 1315 B14R1.715 CC(CO)CCNCC1COC(=O)O1 34a_106354213184_100000073702 [0,1,0,0,0,0|3,0,0]=4 1316 B14R1.715 CC(CO)CCNC[C@@H]1CCC(=O)N1 2230a_106354213184_100015189358 [0,1,0,0,0,0|3,0,0]=4 1317 B14R1.715 CCC(C)CCNCC1CNC(=O)O1 2230a_100020591266_100000181169 [0,1,0,0,0,0|2,0,0]=3 1318 B14R1.715 CCC(C)CCNC[C@@H]1CCC(=O)N1 2230a_100020591266_100015189358 [0,1,0,0,0,0|2,0,0]=3 1319 B14R1.715 CCC(C)CCNC[C@H]1COC(=O)N1 2230a_100020591266_100015307671 [0,1,0,0,0,0|3,0,0]=4 1320 B14R1.715 CCC(C)CCOCC1CNC(=O)O1 7a_100011215188_100000181169 [0,1,0,0,0,0|2,0,0]=3 1321 B14R1.715 CCC(C)CCOC[C@@H]1CCC(=O)N1 7a_100011215188_100015189358 [0,1,0,0,0,0|2,0,0]=3 1322 B14R1.715 CCC(C)CCOC[C@H]1COC(=O)N1 7a_100011215188_100015307671 [0,1,0,0,0,0|3,0,0]=4 1323 B14R1.715 CCC(C)CSCCC1COS(=O)O1 62a_100000748023_100009840081 [0,1,0,0,0,0|3,0,0]=4 1324 B14R1.715 CCC(O)CSCCC1COS(=O)O1 62a_100011218378_100009840081 [0,1,0,0,0,0|3,0,0]=4 1325 B14R1.715 CC[C@H](C)COCCC1COS(=O)O1 7a_100009816381_100009840081 [0,1,0,0,0,0|3,0,0]=4 1326 B14R1.715 CC[C@H](C)CSCCC1COS(=O)O1 62a_100009816398_100009840081 [0,1,0,0,0,0|3,0,0]=4 1327 B14R1.715 COC(C)CCOCC1CNC(=O)O1 7a_100000764861_100000181169 [0,1,0,0,0,0|3,0,0]=4 1328 B14R1.715 COC(C)CCOC[C@@H]1CCC(=O)N1 7a_100000764861_100015189358 [0,1,0,0,0,0|3,0,0]=4 1329 B14R1.715 C[C@@H](CN)CCCOC1COC(=O)O1 34a_100160569302_100000032252 [0,1,0,0,0,0|3,0,0]=4 1330 B14R1.3127 CCCCCCNC1C=C(C(=O)O1)C 2230a_100000210581_200009893386 [0,1,0,0,0,0|1,0,2]=4 1331 B14R1.3127 CCCCCCNC1CC(=O)N(C1)C 2230a_100000748898_100000210314 [0,1,0,0,0,0|3,0,0]=4 1332 B14R1.3127 CCCCCCNC1CC(=O)N(C1)C 34a_100000748898_100000210314 [0,1,0,0,0,0|3,0,0]=4 1333 B14R1.3127 CCCCCCSC1C=C(C(=O)O1)C 62a_100000210314_200009893386 [0,1,0,0,0,0|1,0,2]=4 1334 B14R1.3127 CCCCCCSC1C=C(C(=O)O1)C 62a_200009893386_100000210757 [0,1,0,0,0,0|1,0,2]=4 1335 B14R1.3127 CCCCCOCC1CC(=O)N(C1)C 34a_100015185614_100000718602 [0,1,0,0,0,0|3,0,0]=4 1336 B14R1.3453 CCCCCCNC1CCS(=O)(=O)C1 2230a_100000683523_100000210314 [0,1,0,0,0,0|3,0,0]=4 1337 B14R1.3453 CCCCCCNC1CCS(=O)(=O)C1 34a_100000683523_100000210314 [0,1,0,0,0,0|3,0,0]=4 1338 B14R1.3453 CCCCCCOC1CCS(=O)(=O)C1 34a_100000186101_100000210314 [0,1,0,0,0,0|3,0,0]=4 1339 B14R1.3453 CCCCCCOC1CCS(=O)(=O)C1 7a_100000186101_100000210314 [0,1,0,0,0,0|3,0,0]=4 1340 B14R1.3453 CCCCCNCC1CCS(=O)(=O)C1 2230a_100000737051_100000210326 [0,1,0,0,0,0|3,0,0]=4 1341 B14R1.3453 CCCCCNCC1CCS(=O)(=O)C1 34a_100000737051_100000718602 [0,1,0,0,0,0|3,0,0]=4 1342 B12R0.4 C#CCCCCSC(C)OC(=O)C 62a_100009818208_100010269958 [0,0,1,0,0,0|1,0,2]=4 1343 B12R0.4 C#CCCCCSC(C)OC(=O)C 62a_100010269958_100009818208 [0,0,1,0,0,0|1,0,2]=4 1344 B12R0.4 C=C(C)CN(C)CCCCCCC 2230a_100000225649_100000210681 [0,0,1,0,0,0|3,0,0]=4 1345 B12R0.4 C=C(C)CN(C)CCCCCCC 2230a_100000228206_100000748629 [0,0,1,0,0,0|3,0,0]=4 1346 B12R0.4 C=C(C)CN(C)CCCCCCC 269982a_100000225649_100000210681 [0,0,1,0,0,0|3,0,0]=4 1347 B12R0.4 C=C(C)CN(C)CCCCCCC 269982a_100000228206_100000748629 [0,0,1,0,0,0|3,0,0]=4 1348 B12R0.4 C=CCCCCSC(C)OC(=O)C 62a_100009818208_100011215482 [0,0,1,0,0,0|1,0,2]=4 1349 B12R0.4 C=CCCCCSC(C)OC(=O)C 62a_100011215482_100009818208 [0,0,1,0,0,0|1,0,2]=4 1350 B12R0.4 CC(=O)OC(C)SCCCCC#N 62a_100009818208_100000211819 [0,0,1,0,0,0|2,0,1]=4 1351 B12R0.4 CC(=O)OC(C)SCCCCC#N 62a_100011219923_100009818208 [0,0,1,0,0,0|2,0,1]=4 1352 B12R0.4 CC(=O)OC(C)SCCCCC=O 62a_100000139335_100009818208 [0,0,1,0,0,0|2,0,1]=4 1353 B12R0.4 CC(=O)OC(C)SCCCCC=O 62a_100009818208_100000139335 [0,0,1,0,0,0|2,0,1]=4 1354 B12R0.4 CC(=O)OC(C)SCCCCCF 62a_100000729378_100009818208 [0,0,1,0,0,0|2,0,0]=3 1355 B12R0.4 CC(=O)OC(C)SCCCCCF 62a_100009818208_100000729378 [0,0,1,0,0,0|2,0,0]=3 1356 B12R0.4 CC(=O)OC(C)SCCCCCO 62a_100000746330_100009818208 [0,0,1,0,0,0|2,0,0]=3 1357 B12R0.4 CC(=O)OC(C)SCCCCCO 62a_100009818208_100000746330 [0,0,1,0,0,0|2,0,0]=3 1358 B12R0.4 CC(=O)OC(C)SCCOCCO 62a_100009818208_100011215305 [0,0,1,0,0,0|3,0,0]=4 1359 B12R0.4 CC(=O)OC(C)SCCOCCO 62a_100011215305_100009818208 [0,0,1,0,0,0|3,0,0]=4 1360 B12R0.4 CC/C=C\CCSC(C)OC(=O)C 62a_100009818208_100015370543 [0,0,1,0,0,0|1,0,2]=4 1361 B12R0.4 CC/C=C\CCSC(C)OC(=O)C 62a_100015370543_100009818208 [0,0,1,0,0,0|1,0,2]=4 1362 B12R0.4 CCCCCCCC(C)NC(C)C 2230a_100138425928_200011218727 [0,0,1,0,0,0|2,0,1]=4 1363 B12R0.4 CCCCCCCC(C)NC(C)C 34a_100138425928_200011218727 [0,0,1,0,0,0|2,0,1]=4 1364 B12R0.4 CCCCCCCC(C)OC(C)C 34a_100000212225_200011218727 [0,0,1,0,0,0|1,0,1]=3 1365 B12R0.4 CCCCCCCC(C)OC(C)C 34a_200011215852_100000210206 [0,0,1,0,0,0|1,0,1]=3 1366 B12R0.4 CCCCCCCC(C)OC(C)C 7a_200011215852_100000210206 [0,0,1,0,0,0|1,0,1]=3 1367 B12R0.4 CCCCCCCC(C)SC(C)C 62a_100000210206_200011218727 [0,0,1,0,0,0|1,1,1]=4 1368 B12R0.4 CCCCCCCC(C)SC(C)C 62a_200011218727_100000210206 [0,0,1,0,0,0|1,1,1]=4 1369 B12R0.4 CCCCCCCC(O)CC(=O)C 1458a_200011667753_200000210301 [0,0,1,0,0,0|2,0,0]=3 1370 B12R0.4 CCCCCCCC(O)CC(=O)[13CH3] 1458a_200011667753_200025704644 [0,0,1,0,0,0|2,0,0]=3 1371 B12R0.4 CCCCCCCN(C)CC(=O)N 2230a_100000228206_100000747473 [0,0,1,0,0,0|3,0,0]=4 1372 B12R0.4 CCCCCCCN(C)CC(=O)N 2230a_100000739694_100000210681 [0,0,1,0,0,0|3,0,0]=4 1373 B12R0.4 CCCCCCCN(C)CC(=O)N 269982a_100000228206_100000187820 [0,0,1,0,0,0|3,0,0]=4 1374 B12R0.4 CCCCCCCN(C)CC(=O)O 269956a_100000746989_100000210614 [0,0,1,0,0,0|3,0,0]=4 1375 B12R0.4 CCCCCCCN(C)CC(=O)[O-] 269982a_100000228206_100020667443 [0,0,1,0,0,0|3,0,0]=4 1376 B12R0.4 CCCCCCOC(C)C=C(C)C 34a_100000717055_100000210314 [0,0,1,0,0,0|3,0,0]=4 1377 B12R0.4 CCCCCCSC(C)OC(=O)C 62a_100000210314_100009818208 [0,0,1,0,0,0|1,0,0]=2 1378 B12R0.4 CCCCCCSC(C)OC(=O)C 62a_100009818208_100000210757 [0,0,1,0,0,0|1,0,0]=2 1379 B12R0.4 CCCCOCSC(C)OC(=O)C 62a_100009818208_100011995733 [0,0,1,0,0,0|2,0,0]=3 1380 B12R0.4 CCCCOCSC(C)OC(=O)C 62a_100011995733_100009818208 [0,0,1,0,0,0|2,0,0]=3 1381 B12R0.4 CCCOCCSC(C)OC(=O)C 62a_100009818208_100011215938 [0,0,1,0,0,0|2,0,0]=3 1382 B12R0.4 CCCOCCSC(C)OC(=O)C 62a_100011215938_100009818208 [0,0,1,0,0,0|2,0,0]=3 1383 B12R0.4 CCOCCCSC(C)OC(=O)C 62a_100009818208_100012232248 [0,0,1,0,0,0|2,0,0]=3 1384 B12R0.4 CCOCCCSC(C)OC(=O)C 62a_100012232248_100009818208 [0,0,1,0,0,0|2,0,0]=3 1385 B12R0.4 COCCCCSC(C)OC(=O)C 62a_100000730899_100009818208 [0,0,1,0,0,0|2,0,0]=3 1386 B12R0.4 COCCCCSC(C)OC(=O)C 62a_100009818208_100000730899 [0,0,1,0,0,0|2,0,0]=3 1387 B12R0.4 COCCOCSC(C)OC(=O)C 62a_100000231047_100009818208 [0,0,1,0,0,0|3,0,0]=4 1388 B12R0.4 COCCOCSC(C)OC(=O)C 62a_100009818208_100000231047 [0,0,1,0,0,0|3,0,0]=4 1389 B12R0.121 C=CCN(CC)CCCCCCC 2230a_100000228213_100000210623 [0,0,1,0,0,0|3,0,0]=4 1390 B12R0.121 C=CCN(CC)CCCCCCC 269982a_100000228213_100000210623 [0,0,1,0,0,0|3,0,0]=4 1391 B12R0.121 CCCCCCCC(CC)NCC 270004a_100015525214_200011217162 [0,0,1,0,0,0|2,0,1]=4 1392 B12R0.121 CCCCCCCC(CC)OCC 34a_200011217053_100000210202 [0,0,1,0,0,0|1,0,1]=3 1393 B12R0.121 CCCCCCCC(CC)OCC 7a_200011217053_100000210202 [0,0,1,0,0,0|1,0,1]=3 1394 B12R0.121 CCCCCCCC(CC)OCF 34a_200011217053_100015361967 [0,0,1,0,0,0|1,0,1]=3 1395 B12R0.121 CCCCCCCC(CC)OCF 7a_200011217053_100015361967 [0,0,1,0,0,0|1,0,1]=3 1396 B12R0.121 CCCCCCCN(CC)CC=O 2230a_100000228213_200015260668 [0,0,1,0,0,0|2,0,0]=3 1397 B12R0.121 CCCCCCCN(CC)CC=O 269982a_100000228213_200015260668 [0,0,1,0,0,0|2,0,0]=3 1398 B12R0.121 CCCCCNCC(CC)OCC 2230a_100015183923_100000210326 [0,0,1,0,0,0|2,0,1]=4 1399 B12R0.121 CCCCCNCC(CC)OCC 34a_100015183923_100000718602 [0,0,1,0,0,0|2,0,1]=4 1400 B12R0.206 C=CCCC(=O)CCCCCCC 1458a_100000211969_100000754431 [0,0,1,0,0,0|1,0,2]=4 1401 B12R0.206 C=CCCC(=O)CCCCCCC 1458a_100000749702_100000210614 [0,0,1,0,0,0|1,0,2]=4 1402 B12R0.206 C=CCCC(C)NCCCCCC 270004a_100000210581_100000762624 [0,0,1,0,0,0|3,0,0]=4 1403 B12R0.206 C=CCCC(C)OCCCCCC 34a_100000765329_100000210314 [0,0,1,0,0,0|3,0,0]=4 1404 B12R0.206 C=CCCC(C)OCCCCCC 7a_100000765329_100000210314 [0,0,1,0,0,0|3,0,0]=4 1405 B12R0.206 C=CCCN(C)CCCCCCC 2230a_100000228206_100000754431 [0,0,1,0,0,0|3,0,0]=4 1406 B12R0.206 C=CCCN(C)CCCCCCC 2230a_100020639649_100000210681 [0,0,1,0,0,0|3,0,0]=4 1407 B12R0.206 C=CCCN(C)CCCCCCC 269982a_100000228206_100000754431 [0,0,1,0,0,0|3,0,0]=4 1408 B12R0.206 C=CCCN(C)CCCCCCC 269982a_100020639649_100000210681 [0,0,1,0,0,0|3,0,0]=4 1409 B12R0.206 C=CCNC(C)CCCCCCC 2230a_100020586998_200011218727 [0,0,1,0,0,0|3,0,0]=4 1410 B12R0.206 C=CCNC(C)CCCCCCC 270004a_100020586998_100000210596 [0,0,1,0,0,0|3,0,0]=4 1411 B12R0.206 C=CCOC(C)CCCCCCC 34a_200000210373_200011218727 [0,0,1,0,0,0|3,0,0]=4 1412 B12R0.206 C=CCOC(C)CCCCCCC 34a_200011215852_100015514636 [0,0,1,0,0,0|3,0,0]=4 1413 B12R0.206 C=CCOC(C)CCCCCCC 7a_200011215852_100015514636 [0,0,1,0,0,0|3,0,0]=4 1414 B12R0.206 C=CCSC(C)CCCCCCC 62a_100000210623_200011218727 [0,0,1,0,0,0|3,0,0]=4 1415 B12R0.206 C=CCSC(C)CCCCCCC 62a_200011218727_100000210623 [0,0,1,0,0,0|3,0,0]=4 1416 B12R0.206 CCCCCCCC(C)OCC=O 34a_200011215852_200009817547 [0,0,1,0,0,0|2,0,0]=3 1417 B12R0.206 CCCCCCCC(C)OCC=O 7a_200011215852_200015260668 [0,0,1,0,0,0|2,0,0]=3 1418 B12R0.206 CCCCCCCC(C)SCC=O 62a_200011218727_200015260668 [0,0,1,0,0,0|2,0,0]=3 1419 B12R0.206 CCCCCCCC(C)SCC=O 62a_200015260668_200011218727 [0,0,1,0,0,0|2,0,0]=3 1420 B12R0.234 C#CCCCCCCCCC(=O)C 1458a_100000029693_200000210301 [0,0,1,0,0,0|1,0,2]=4 1421 B12R0.234 C#CCCCCCCCCC(=O)[13CH3] 1458a_100000029693_200025704644 [0,0,1,0,0,0|1,0,2]=4 1422 B12R0.234 C#CCCCCCCNCC(=O)O 269956a_100016091260_100012276617 [0,0,1,0,0,0|1,0,2]=4 1423 B12R0.234 C=C(Br)CCOCCCCCCC 34a_100009813270_100000210614 [0,0,1,0,0,0|3,0,0]=4 1424 B12R0.234 C=C(C)CCNCCCCCCC 2230a_100000229938_100000730704 [0,0,1,0,0,0|3,0,0]=4 1425 B12R0.234 C=C(C)CCOCCCCCCC 34a_100000210272_100000730704 [0,0,1,0,0,0|3,0,0]=4 1426 B12R0.234 C=C(C)CCOCCCCCCC 34a_100000764851_100000210614 [0,0,1,0,0,0|3,0,0]=4 1427 B12R0.234 C=C(C)CCOCCCCCCC 7a_100000210272_100000730704 [0,0,1,0,0,0|3,0,0]=4 1428 B12R0.234 C=C(C)CCSCCCCCCC 62a_100000210614_100000730704 [0,0,1,0,0,0|3,0,0]=4 1429 B12R0.234 C=C(C)CCSCCCCCCC 62a_100000730704_100000210316 [0,0,1,0,0,0|3,0,0]=4 1430 B12R0.234 C=C(C)CNCCCCCCCC 2230a_100000229939_100000748629 [0,0,1,0,0,0|3,0,0]=4 1431 B12R0.234 C=C(C)CNCCCCCCCC 34a_100000229939_100000748629 [0,0,1,0,0,0|3,0,0]=4 1432 B12R0.234 C=C(C)COCCCCCCCC 34a_100000210232_100000748629 [0,0,1,0,0,0|3,0,0]=4 1433 B12R0.234 C=C(C)COCCCCCCCC 34a_100000210245_100000210759 [0,0,1,0,0,0|3,0,0]=4 1434 B12R0.234 C=C(C)COCCCCCCCC 7a_100000210232_100000748629 [0,0,1,0,0,0|3,0,0]=4 1435 B12R0.234 C=C(C)CSCCCCCCCC 62a_100000210759_100000211660 [0,0,1,0,0,0|3,0,0]=4 1436 B12R0.234 C=C(C)CSCCCCCCCC 62a_100000748629_100000210317 [0,0,1,0,0,0|3,0,0]=4 1437 B12R0.234 C=C(F)CNCCCCCCCC 2230a_100000229939_100009893438 [0,0,1,0,0,0|3,0,0]=4 1438 B12R0.234 C=C(F)CNCCCCCCCC 34a_100000229939_100009893438 [0,0,1,0,0,0|3,0,0]=4 1439 B12R0.234 C=C(F)COCCCCCCCC 34a_100000210232_100009893438 [0,0,1,0,0,0|3,0,0]=4 1440 B12R0.234 C=C(F)COCCCCCCCC 34a_200010262243_100000210759 [0,0,1,0,0,0|3,0,0]=4 1441 B12R0.234 C=C(F)COCCCCCCCC 7a_100000210232_100000042424 [0,0,1,0,0,0|3,0,0]=4 1442 B12R0.234 C=C(F)CSCCCCCCCC 62a_100000042424_100000210317 [0,0,1,0,0,0|3,0,0]=4 1443 B12R0.234 C=C(F)CSCCCCCCCC 62a_100000210759_100000042424 [0,0,1,0,0,0|3,0,0]=4 1444 B12R0.234 C=CCCCCCCCCC(=O)C 1458a_100000070787_100011933949 [0,0,1,0,0,0|1,0,2]=4 1445 B12R0.234 C=CCCCCCCCCC(=O)C 1458a_100000211349_200000210301 [0,0,1,0,0,0|1,0,2]=4 1446 B12R0.234 C=CCCCCCCCCC(=O)[13CH3] 1458a_100000211349_200025704644 [0,0,1,0,0,0|1,0,2]=4 1447 B12R0.234 C=CCCCCCCNCC(=O)O 269956a_100016091260_100011215473 [0,0,1,0,0,0|1,0,2]=4 1448 B12R0.234 CC#CCCCCCCCC(=O)C 1458a_100000066323_200000210301 [0,0,1,0,0,0|1,0,2]=4 1449 B12R0.234 CC#CCCCCCCCC(=O)[13CH3] 1458a_100000066323_200025704644 [0,0,1,0,0,0|1,0,2]=4 1450 B12R0.234 CC(=O)CCCCCCCCCF 1458a_200009909015_200000210301 [0,0,1,0,0,0|2,0,0]=3 1451 B12R0.234 CC(=O)CCCCCCCCCO 1458a_100000070787_100009813782 [0,0,1,0,0,0|2,0,0]=3 1452 B12R0.234 CC(=O)CCCCNCCCCO 34a_100000750430_100009817362 [0,0,1,0,0,0|3,0,0]=4 1453 B12R0.234 CC(=O)CCCCOCCCCBr 34a_100011216708_100009817362 [0,0,1,0,0,0|3,0,0]=4 1454 B12R0.234 CC(=O)CCCCOCCCCCl 34a_100000210776_100009817362 [0,0,1,0,0,0|3,0,0]=4 1455 B12R0.234 CC(=O)CCCCOCCCCCl 7a_100000210776_100000735457 [0,0,1,0,0,0|3,0,0]=4 1456 B12R0.234 CC(=O)CCCCOCCCCF 34a_100011995726_100009817362 [0,0,1,0,0,0|3,0,0]=4 1457 B12R0.234 CC(=O)CCCCOCCCCF 7a_100011995726_100000735457 [0,0,1,0,0,0|3,0,0]=4 1458 B12R0.234 CC(=O)CCCCOCCCCI 34a_200012148704_100009817362 [0,0,1,0,0,0|3,0,0]=4 1459 B12R0.234 CC(=O)CCCCOCCCCN 34a_100000750430_100009817362 [0,0,1,0,0,0|3,0,0]=4 1460 B12R0.234 CC(=O)CCCCSCCCCF 62a_100000729493_100000735457 [0,0,1,0,0,0|3,0,0]=4 1461 B12R0.234 CC(=O)CCCCSCCCCF 62a_100000735457_100000729493 [0,0,1,0,0,0|3,0,0]=4 1462 B12R0.234 CC(=O)CCCCSCCCCO 62a_100000210776_100000735457 [0,0,1,0,0,0|3,0,0]=4 1463 B12R0.234 CC(=O)CCCCSCCCCO 62a_100000735457_100000210776 [0,0,1,0,0,0|3,0,0]=4 1464 B12R0.234 CC(=O)CCCNCCCCCO 34a_100000762737_100000685027 [0,0,1,0,0,0|3,0,0]=4 1465 B12R0.234 CC(=O)CCCOCCCCCBr 34a_100000746331_100000685027 [0,0,1,0,0,0|3,0,0]=4 1466 B12R0.234 CC(=O)CCCOCCCCCBr 7a_100000746331_100011215641 [0,0,1,0,0,0|3,0,0]=4 1467 B12R0.234 CC(=O)CCCOCCCCCCl 34a_100000746330_100000685027 [0,0,1,0,0,0|3,0,0]=4 1468 B12R0.234 CC(=O)CCCOCCCCCCl 7a_100000746330_100011215641 [0,0,1,0,0,0|3,0,0]=4 1469 B12R0.234 CC(=O)CCCOCCCCCF 34a_100000759063_100000729378 [0,0,1,0,0,0|3,0,0]=4 1470 B12R0.234 CC(=O)CCCOCCCCCF 7a_100000759063_100000729378 [0,0,1,0,0,0|3,0,0]=4 1471 B12R0.234 CC(=O)CCCOCCCCCI 34a_200012148887_100000685027 [0,0,1,0,0,0|3,0,0]=4 1472 B12R0.234 CC(=O)CCCOCCCCCI 7a_200012148887_100011215641 [0,0,1,0,0,0|3,0,0]=4 1473 B12R0.234 CC(=O)CCCOCCCCCN 34a_100000762737_100000685027 [0,0,1,0,0,0|3,0,0]=4 1474 B12R0.234 CC(=O)CCCOCCCCCO 34a_100000759063_100000746330 [0,0,1,0,0,0|3,0,0]=4 1475 B12R0.234 CC(=O)CCCOCCCCCO 7a_100000759063_100000746330 [0,0,1,0,0,0|3,0,0]=4 1476 B12R0.234 CC(=O)CCCSCCCCCF 62a_100000729378_100011215641 [0,0,1,0,0,0|3,0,0]=4 1477 B12R0.234 CC(=O)CCCSCCCCCF 62a_100011215641_100000729378 [0,0,1,0,0,0|3,0,0]=4 1478 B12R0.234 CC(=O)CCCSCCCCCO 62a_100000746330_100011215641 [0,0,1,0,0,0|3,0,0]=4 1479 B12R0.234 CC(=O)CCCSCCCCCO 62a_100011215641_100000746330 [0,0,1,0,0,0|3,0,0]=4 1480 B12R0.234 CC(=O)CCOCCCCCCBr 7a_100011215345_100000053229 [0,0,1,0,0,0|3,0,0]=4 1481 B12R0.234 CC(=O)CCOCCCCCCCl 7a_100000766143_100000053229 [0,0,1,0,0,0|3,0,0]=4 1482 B12R0.234 CC(=O)CCOCCCCCCF 34a_100000759926_100015922095 [0,0,1,0,0,0|3,0,0]=4 1483 B12R0.234 CC(=O)CCOCCCCCCF 7a_100000732779_100000053229 [0,0,1,0,0,0|3,0,0]=4 1484 B12R0.234 CC(=O)CCOCCCCCCF 7a_100000759926_100015922095 [0,0,1,0,0,0|3,0,0]=4 1485 B12R0.234 CC(=O)CCOCCCCCCO 34a_100000759926_100000766143 [0,0,1,0,0,0|3,0,0]=4 1486 B12R0.234 CC(=O)CCOCCCCCCO 7a_100000759926_100000766143 [0,0,1,0,0,0|3,0,0]=4 1487 B12R0.234 CC(=O)CCSCCCCCCF 62a_100000053229_100015922095 [0,0,1,0,0,0|3,0,0]=4 1488 B12R0.234 CC(=O)CCSCCCCCCF 62a_100015922095_100000053229 [0,0,1,0,0,0|3,0,0]=4 1489 B12R0.234 CC(=O)CCSCCCCCCO 62a_100000053229_100000766143 [0,0,1,0,0,0|3,0,0]=4 1490 B12R0.234 CC(=O)CCSCCCCCCO 62a_100000766143_100000053229 [0,0,1,0,0,0|3,0,0]=4 1491 B12R0.234 CC(=O)COCCCCCCCO 34a_100000211253_100000760002 [0,0,1,0,0,0|3,0,0]=4 1492 B12R0.234 CC(=O)NCCCCCCCCO 240690a_102515433106_100015343762 [0,0,1,0,0,0|3,0,0]=4 1493 B12R0.234 CCC#CCCCCCCC(=O)C 1458a_100000070787_200000036426 [0,0,1,0,0,0|1,0,2]=4 1494 B12R0.234 CCCCCC#CCNCC(=O)O 269956a_100016091260_100009816472 [0,0,1,0,0,0|1,0,2]=4 1495 B12R0.234 CCCCCCCCC=CC(=O)C 1458a_100015345288_200000210301 [0,0,1,0,0,0|1,0,2]=4 1496 B12R0.234 CCCCCCCCC=CC(=O)[13CH3] 1458a_100015345288_200025704644 [0,0,1,0,0,0|1,0,2]=4 1497 B12R0.234 CCCCCCCCCCC(=O)C 1458a_100000070787_100000210319 [0,0,1,0,0,0|1,0,0]=2 1498 B12R0.234 CCCCCCCCCCC(=O)C 1458a_100000210375_200000210301 [0,0,1,0,0,0|1,0,0]=2 1499 B12R0.234 CCCCCCCCCCC(=O)[13CH3] 1458a_100000210375_200025704644 [0,0,1,0,0,0|1,0,0]=2 1500 B12R0.234 CCCCCCCCCCN(C)C 2230a_100000207566_200000210301 [0,0,1,0,0,0|3,0,0]=4 1501 B12R0.234 CCCCCCCCCCN(C)C 2230a_100102631434_100000210320 [0,0,1,0,0,0|3,0,0]=4 1502 B12R0.234 CCCCCCCCCCN(C)C 269982a_100000207566_200000210301 [0,0,1,0,0,0|3,0,0]=4 1503 B12R0.234 CCCCCCCCCCN(C)C 269982a_100102631434_100000210320 [0,0,1,0,0,0|3,0,0]=4 1504 B12R0.234 CCCCCCCCCCN(C)[13CH3] 2230a_100000207566_200025704644 [0,0,1,0,0,0|3,0,0]=4 1505 B12R0.234 CCCCCCCCCCN(C)[13CH3] 269982a_100000207566_200025704644 [0,0,1,0,0,0|3,0,0]=4 1506 B12R0.234 CCCCCCCCCNC(=O)C 11a_100000212291_100015343762 [0,0,1,0,0,0|2,0,0]=3 1507 B12R0.234 CCCCCCCCCNC(=O)C 1626a_100000212291_100015343762 [0,0,1,0,0,0|2,0,0]=3 1508 B12R0.234 CCCCCCCCCNC(=O)C 240690a_100000212291_100015343762 [0,0,1,0,0,0|2,0,0]=3 1509 B12R0.234 CCCCCCCCCNC(=O)C 527a_100000212291_100103153847 [0,0,1,0,0,0|2,0,0]=3 1510 B12R0.234 CCCCCCCCNCC(=O)N 2230a_100000229939_100000747473 [0,0,1,0,0,0|2,0,0]=3 1511 B12R0.234 CCCCCCCCNCC(=O)N 2230a_100000711301_100000210759 [0,0,1,0,0,0|2,0,0]=3 1512 B12R0.234 CCCCCCCCNCC(=O)N 34a_100000229939_100000187820 [0,0,1,0,0,0|2,0,0]=3 1513 B12R0.234 CCCCCCCCNCC(=O)O 269956a_100016091260_100000210759 [0,0,1,0,0,0|1,0,0]=2 1514 B12R0.234 CCCCCCCCNCC(=O)[O-] 34a_100000229939_100020667443 [0,0,1,0,0,0|1,0,1]=3 1515 B12R0.234 CCCCCCCCNCC(C)O 2230a_100000210904_100000210759 [0,0,1,0,0,0|2,0,1]=4 1516 B12R0.234 CCCCCCCCNCC(C)O 2230a_100000229939_100011218427 [0,0,1,0,0,0|2,0,1]=4 1517 B12R0.234 CCCCCCCCNCC(C)O 34a_100000210904_100000210759 [0,0,1,0,0,0|2,0,1]=4 1518 B12R0.234 CCCCCCCCNCC(C)O 34a_100000229939_100011218427 [0,0,1,0,0,0|2,0,1]=4 1519 B12R0.234 CCCCCCCCNC[C@@H](C)O 2230a_100000229939_100009817552 [0,0,1,0,0,0|2,0,1]=4 1520 B12R0.234 CCCCCCCCNC[C@@H](C)O 34a_100000229939_100009817552 [0,0,1,0,0,0|2,0,1]=4 1521 B12R0.234 CCCCCCCCNC[N+](=O)[O-] 34a_100000229939_100000761209 [0,0,1,0,0,0|2,0,1]=4 1522 B12R0.234 CCCCCCCCOCC(=O)C 1458a_100000759886_200000210301 [0,0,1,0,0,0|2,0,0]=3 1523 B12R0.234 CCCCCCCCOCC(=O)C 34a_100000211253_100000210759 [0,0,1,0,0,0|2,0,0]=3 1524 B12R0.234 CCCCCCCCOCC(=O)N 34a_100000210232_100000187820 [0,0,1,0,0,0|2,0,0]=3 1525 B12R0.234 CCCCCCCCOCC(=O)N 7a_100000210232_100000187820 [0,0,1,0,0,0|2,0,0]=3 1526 B12R0.234 CCCCCCCCOCC(=O)[13CH3] 1458a_100000759886_200025704644 [0,0,1,0,0,0|2,0,0]=3 1527 B12R0.234 CCCCCCCCOCC(=O)[O-] 34a_100000210232_100020667443 [0,0,1,0,0,0|1,0,1]=3 1528 B12R0.234 CCCCCCCCOCC(C)O 34a_100000210232_100011218427 [0,0,1,0,0,0|2,0,1]=4 1529 B12R0.234 CCCCCCCCOCC(C)O 7a_100000210232_100011218427 [0,0,1,0,0,0|2,0,1]=4 1530 B12R0.234 CCCCCCCCOC[C@@H](C)O 34a_100000210232_100009817552 [0,0,1,0,0,0|2,0,1]=4 1531 B12R0.234 CCCCCCCCOC[C@@H](C)O 7a_100000210232_100009817552 [0,0,1,0,0,0|2,0,1]=4 1532 B12R0.234 CCCCCCCCOC[N+](=O)[O-] 34a_100000210232_100000761209 [0,0,1,0,0,0|2,0,1]=4 1533 B12R0.234 CCCCCCCCSCC(=O)N 62a_100000210759_100000747473 [0,0,1,0,0,0|2,0,0]=3 1534 B12R0.234 CCCCCCCCSCC(=O)N 62a_100000747473_100000210317 [0,0,1,0,0,0|2,0,0]=3 1535 B12R0.234 CCCCCCCCSCC(=O)[O-] 62a_100000210759_100020667443 [0,0,1,0,0,0|1,0,1]=3 1536 B12R0.234 CCCCCCCCSCC(=O)[O-] 62a_100020667443_100000210317 [0,0,1,0,0,0|1,0,1]=3 1537 B12R0.234 CCCCCCCCSCC(C)O 62a_100000210759_100011218427 [0,0,1,0,0,0|2,0,1]=4 1538 B12R0.234 CCCCCCCCSCC(C)O 62a_100011218427_100000210317 [0,0,1,0,0,0|2,0,1]=4 1539 B12R0.234 CCCCCCCCSC[C@@H](C)O 62a_100000210759_100009817552 [0,0,1,0,0,0|2,0,1]=4 1540 B12R0.234 CCCCCCCCSC[C@@H](C)O 62a_100009817552_100000210317 [0,0,1,0,0,0|2,0,1]=4 1541 B12R0.234 CCCCCCCCSC[N+](=O)[O-] 62a_100000210759_100000761209 [0,0,1,0,0,0|2,0,1]=4 1542 B12R0.234 CCCCCCCNCCC(=O)N 2230a_100000229938_100000744528 [0,0,1,0,0,0|2,0,0]=3 1543 B12R0.234 CCCCCCCNCCC(C)O 2230a_100000229938_100012276601 [0,0,1,0,0,0|2,0,1]=4 1544 B12R0.234 CCCCCCCNCCC(C)O 2230a_200000755665_100000210681 [0,0,1,0,0,0|2,0,1]=4 1545 B12R0.234 CCCCCCCNOCC(=O)O 269956a_100000106656_100000210614 [0,0,1,0,0,0|2,0,0]=3 1546 B12R0.234 CCCCCCCOCCC(=O)C 34a_100000759926_100000210614 [0,0,1,0,0,0|2,0,0]=3 1547 B12R0.234 CCCCCCCOCCC(=O)C 7a_100000210272_100000053229 [0,0,1,0,0,0|2,0,0]=3 1548 B12R0.234 CCCCCCCOCCC(=O)C 7a_100000759926_100000210614 [0,0,1,0,0,0|2,0,0]=3 1549 B12R0.234 CCCCCCCOCCC(=O)N 34a_100000210272_100000731001 [0,0,1,0,0,0|2,0,0]=3 1550 B12R0.234 CCCCCCCOCCC(=O)N 34a_100000757172_100000210614 [0,0,1,0,0,0|2,0,0]=3 1551 B12R0.234 CCCCCCCOCCC(=O)N 7a_100000210272_100000744528 [0,0,1,0,0,0|2,0,0]=3 1552 B12R0.234 CCCCCCCOCCC(=O)N 7a_100000757172_100000210614 [0,0,1,0,0,0|2,0,0]=3 1553 B12R0.234 CCCCCCCOCCC(C)O 34a_100000210272_100012276601 [0,0,1,0,0,0|2,0,1]=4 1554 B12R0.234 CCCCCCCOCCC(C)O 7a_100000210272_100012276601 [0,0,1,0,0,0|2,0,1]=4 1555 B12R0.234 CCCCCCCOCOC(=O)C 34a_100000210272_100009813279 [0,0,1,0,0,0|3,0,0]=4 1556 B12R0.234 CCCCCCCSCCC(=O)C 62a_100000053229_100000210316 [0,0,1,0,0,0|2,0,0]=3 1557 B12R0.234 CCCCCCCSCCC(=O)C 62a_100000210614_100000053229 [0,0,1,0,0,0|2,0,0]=3 1558 B12R0.234 CCCCCCCSCCC(=O)N 62a_100000210614_100000744528 [0,0,1,0,0,0|2,0,0]=3 1559 B12R0.234 CCCCCCCSCCC(=O)N 62a_100000744528_100000210316 [0,0,1,0,0,0|2,0,0]=3 1560 B12R0.234 CCCCCCCSCCC(C)O 62a_100000210614_100012276601 [0,0,1,0,0,0|2,0,1]=4 1561 B12R0.234 CCCCCCCSCCC(C)O 62a_100012276601_100000210316 [0,0,1,0,0,0|2,0,1]=4 1562 B12R0.234 CCCCCCCSCOC(=O)C 62a_100000076356_100000210316 [0,0,1,0,0,0|3,0,0]=4 1563 B12R0.234 CCCCCCCSCOC(=O)C 62a_100000210614_100000076356 [0,0,1,0,0,0|3,0,0]=4 1564 B12R0.234 CCCCCCNCCCC(=O)N 34a_100000739312_100000210314 [0,0,1,0,0,0|2,0,0]=3 1565 B12R0.234 CCCCCCNCCCC(C)O 2230a_100000210581_200000718107 [0,0,1,0,0,0|2,0,1]=4 1566 B12R0.234 CCCCCCNCCCS(=O)C 2230a_200000753449_100000210314 [0,0,1,0,0,0|3,0,0]=4 1567 B12R0.234 CCCCCCNCCNC(=O)C 2230a_100000209853_100000210314 [0,0,1,0,0,0|3,0,0]=4 1568 B12R0.234 CCCCCCNCCNC(=O)C 2230a_100000210581_100000189650 [0,0,1,0,0,0|3,0,0]=4 1569 B12R0.234 CCCCCCNCCNC(=O)N 2230a_100000210581_200000034859 [0,0,1,0,0,0|3,0,0]=4 1570 B12R0.234 CCCCCCNCCNC(=O)N 34a_100020590234_100000210314 [0,0,1,0,0,0|3,0,0]=4 1571 B12R0.234 CCCCCCOCCCC(=O)C 34a_100000210259_100000685027 [0,0,1,0,0,0|2,0,0]=3 1572 B12R0.234 CCCCCCOCCCC(=O)C 34a_100000759063_100000210314 [0,0,1,0,0,0|2,0,0]=3 1573 B12R0.234 CCCCCCOCCCC(=O)C 7a_100000210259_100011215641 [0,0,1,0,0,0|2,0,0]=3 1574 B12R0.234 CCCCCCOCCCC(=O)C 7a_100000759063_100000210314 [0,0,1,0,0,0|2,0,0]=3 1575 B12R0.234 CCCCCCOCCCC(=O)N 34a_100000210259_100102525003 [0,0,1,0,0,0|2,0,0]=3 1576 B12R0.234 CCCCCCOCCCC(=O)N 7a_100000210259_100102525003 [0,0,1,0,0,0|2,0,0]=3 1577 B12R0.234 CCCCCCOCCCC(C)O 34a_100000210259_200000718107 [0,0,1,0,0,0|2,0,1]=4 1578 B12R0.234 CCCCCCOCCCC(C)O 7a_100000210259_200000718107 [0,0,1,0,0,0|2,0,1]=4 1579 B12R0.234 CCCCCCOCCC[N+](=O)[O-] 34a_200000037920_100000210314 [0,0,1,0,0,0|2,0,1]=4 1580 B12R0.234 CCCCCCOCCNC(=O)C 34a_100000158858_100000210314 [0,0,1,0,0,0|3,0,0]=4 1581 B12R0.234 CCCCCCOCCNC(=O)C 7a_100000210259_100000189650 [0,0,1,0,0,0|3,0,0]=4 1582 B12R0.234 CCCCCCOCCNC(=O)N 34a_100000181757_100000210314 [0,0,1,0,0,0|3,0,0]=4 1583 B12R0.234 CCCCCCOCCNC(=O)N 7a_100000210259_200000034859 [0,0,1,0,0,0|3,0,0]=4 1584 B12R0.234 CCCCCCOCCOC(=O)C 34a_100000210259_100009814007 [0,0,1,0,0,0|3,0,0]=4 1585 B12R0.234 CCCCCCOCCOC(=O)C 7a_100000210259_100009814007 [0,0,1,0,0,0|3,0,0]=4 1586 B12R0.234 CCCCCCOCCOC(=O)N 34a_100000210259_200011214921 [0,0,1,0,0,0|3,0,0]=4 1587 B12R0.234 CCCCCCOCCOC(=O)N 7a_100000210259_200011214921 [0,0,1,0,0,0|3,0,0]=4 1588 B12R0.234 CCCCCCOCCOC(=O)N 7a_100000766696_100000210314 [0,0,1,0,0,0|3,0,0]=4 1589 B12R0.234 CCCCCCSCCCC(=O)C 62a_100000210314_100011215641 [0,0,1,0,0,0|2,0,0]=3 1590 B12R0.234 CCCCCCSCCCC(=O)C 62a_100011215641_100000210757 [0,0,1,0,0,0|2,0,0]=3 1591 B12R0.234 CCCCCCSCCCC(=O)N 62a_100000210314_100102525003 [0,0,1,0,0,0|2,0,0]=3 1592 B12R0.234 CCCCCCSCCCC(=O)N 62a_100102525003_100000210757 [0,0,1,0,0,0|2,0,0]=3 1593 B12R0.234 CCCCCCSCCCC(C)O 62a_100000210314_200000718107 [0,0,1,0,0,0|2,0,1]=4 1594 B12R0.234 CCCCCCSCCCC(C)O 62a_200000718107_100000210757 [0,0,1,0,0,0|2,0,1]=4 1595 B12R0.234 CCCCCCSCCNC(=O)C 62a_100000189650_100000210757 [0,0,1,0,0,0|3,0,0]=4 1596 B12R0.234 CCCCCCSCCNC(=O)C 62a_100000210314_100000189650 [0,0,1,0,0,0|3,0,0]=4 1597 B12R0.234 CCCCCCSCCNC(=O)N 62a_100000210314_200000034859 [0,0,1,0,0,0|3,0,0]=4 1598 B12R0.234 CCCCCCSCCNC(=O)N 62a_200000034859_100000210757 [0,0,1,0,0,0|3,0,0]=4 1599 B12R0.234 CCCCCCSCCOC(=O)C 62a_100000210314_100009814007 [0,0,1,0,0,0|3,0,0]=4 1600 B12R0.234 CCCCCCSCCOC(=O)C 62a_100009814007_100000210757 [0,0,1,0,0,0|3,0,0]=4 1601 B12R0.234 CCCCCCSCCOC(=O)N 62a_100000210314_200011214921 [0,0,1,0,0,0|3,0,0]=4 1602 B12R0.234 CCCCCCSCCOC(=O)N 62a_200011214921_100000210757 [0,0,1,0,0,0|3,0,0]=4 1603 B12R0.234 CCCCCNCCCCB(O)O 2230a_100000209983_200009817182 [0,0,1,0,0,0|2,0,1]=4 1604 B12R0.234 CCCCCNCCCCC(=O)N 34a_100000696515_100000718602 [0,0,1,0,0,0|2,0,0]=3 1605 B12R0.234 CCCCCNCCCNC(=O)C 34a_100000736810_100000718602 [0,0,1,0,0,0|3,0,0]=4 1606 B12R0.234 CCCCCNCCCSC(=O)C 2230a_100000209983_100000038929 [0,0,1,0,0,0|3,0,0]=4 1607 B12R0.234 CCCCCNCCOCC(=O)N 2230a_100000209983_100000076697 [0,0,1,0,0,0|3,0,0]=4 1608 B12R0.234 CCCCCNCCOCC(=O)N 34a_100000224656_100000187820 [0,0,1,0,0,0|3,0,0]=4 1609 B12R0.234 CCCCCNCCOCC(=O)O 269956a_100000700818_100000210326 [0,0,1,0,0,0|2,0,0]=3 1610 B12R0.234 CCCCCNCCOCC(=O)[O-] 34a_100000224656_100020667443 [0,0,1,0,0,0|2,0,1]=4 1611 B12R0.234 CCCCCOCCCCB(O)O 34a_100000210253_200009817182 [0,0,1,0,0,0|2,0,1]=4 1612 B12R0.234 CCCCCOCCCCB(O)O 7a_100000210253_200009817182 [0,0,1,0,0,0|2,0,1]=4 1613 B12R0.234 CCCCCOCCCCC(=O)C 34a_100000210253_100009817362 [0,0,1,0,0,0|2,0,0]=3 1614 B12R0.234 CCCCCOCCCCC(=O)C 7a_100000210253_100000735457 [0,0,1,0,0,0|2,0,0]=3 1615 B12R0.234 CCCCCOCCCCC(=O)N 34a_100012022536_100000718602 [0,0,1,0,0,0|2,0,0]=3 1616 B12R0.234 CCCCCOCCCCC(=O)N 7a_100012022536_100000210326 [0,0,1,0,0,0|2,0,0]=3 1617 B12R0.234 CCCCCOCCCC[N+](=O)[O-] 34a_200015379883_100000718602 [0,0,1,0,0,0|2,0,1]=4 1618 B12R0.234 CCCCCOCCCC[N+](=O)[O-] 7a_200015379883_100000210326 [0,0,1,0,0,0|2,0,1]=4 1619 B12R0.234 CCCCCOCCCNC(=O)C 34a_100000752032_100000718602 [0,0,1,0,0,0|3,0,0]=4 1620 B12R0.234 CCCCCOCCCOC(=O)C 34a_100000210253_100000042594 [0,0,1,0,0,0|3,0,0]=4 1621 B12R0.234 CCCCCOCCCOC(=O)C 7a_100000210253_100000042594 [0,0,1,0,0,0|3,0,0]=4 1622 B12R0.234 CCCCCOCCCSC(=O)C 34a_100000210253_100000038929 [0,0,1,0,0,0|3,0,0]=4 1623 B12R0.234 CCCCCOCCCSC(=O)C 7a_100000210253_100000038929 [0,0,1,0,0,0|3,0,0]=4 1624 B12R0.234 CCCCCOCCOCC(=O)N 34a_100000210253_100000076697 [0,0,1,0,0,0|3,0,0]=4 1625 B12R0.234 CCCCCOCCOCC(=O)N 34a_100011215259_100000187820 [0,0,1,0,0,0|3,0,0]=4 1626 B12R0.234 CCCCCOCCOCC(=O)N 7a_100000210253_100000076697 [0,0,1,0,0,0|3,0,0]=4 1627 B12R0.234 CCCCCOCCOCC(=O)N 7a_100011215259_100000187820 [0,0,1,0,0,0|3,0,0]=4 1628 B12R0.234 CCCCCOCCOCC(=O)[O-] 34a_100011215259_100020667443 [0,0,1,0,0,0|2,0,1]=4 1629 B12R0.234 CCCCCSCCCCB(O)O 62a_100000210326_200009817182 [0,0,1,0,0,0|2,0,1]=4 1630 B12R0.234 CCCCCSCCCCB(O)O 62a_200009817182_100000210326 [0,0,1,0,0,0|2,0,1]=4 1631 B12R0.234 CCCCCSCCCCC(=O)C 62a_100000210326_100000735457 [0,0,1,0,0,0|2,0,0]=3 1632 B12R0.234 CCCCCSCCCCC(=O)C 62a_100000735457_100000210326 [0,0,1,0,0,0|2,0,0]=3 1633 B12R0.234 CCCCCSCCCOC(=O)C 62a_100000042594_100000210326 [0,0,1,0,0,0|3,0,0]=4 1634 B12R0.234 CCCCCSCCCOC(=O)C 62a_100000210326_100000042594 [0,0,1,0,0,0|3,0,0]=4 1635 B12R0.234 CCCCCSCCCSC(=O)C 62a_100000038929_100000210326 [0,0,1,0,0,0|3,0,0]=4 1636 B12R0.234 CCCCCSCCCSC(=O)C 62a_100000210326_100000038929 [0,0,1,0,0,0|3,0,0]=4 1637 B12R0.234 CCCCCSCCOCC(=O)N 62a_100000076697_100000210326 [0,0,1,0,0,0|3,0,0]=4 1638 B12R0.234 CCCCCSCCOCC(=O)N 62a_100000210326_100000076697 [0,0,1,0,0,0|3,0,0]=4 1639 B12R0.234 CCCCNCCCCCB(O)O 2230a_100000102301_200009817188 [0,0,1,0,0,0|2,0,1]=4 1640 B12R0.234 CCCCNCCCCCB(O)O 7a_106832991798_200009817188 [0,0,1,0,0,0|2,0,1]=4 1641 B12R0.234 CCCCNCCCCCC(=O)N 2230a_100000102301_100009817443 [0,0,1,0,0,0|2,0,0]=3 1642 B12R0.234 CCCCNCCCCCC(=O)N 7a_106832991798_100009817443 [0,0,1,0,0,0|2,0,0]=3 1643 B12R0.234 CCCCNCCCCNC(=O)C 2230a_200011368371_100000210211 [0,0,1,0,0,0|3,0,0]=4 1644 B12R0.234 CCCCNCCCCNC(=O)C 34a_200011368371_100000210210 [0,0,1,0,0,0|3,0,0]=4 1645 B12R0.234 CCCCNCCCCOC(=O)C 7a_106832991798_100000033659 [0,0,1,0,0,0|3,0,0]=4 1646 B12R0.234 CCCCNCCCCSC(=O)C 2230a_100000102301_200010402107 [0,0,1,0,0,0|3,0,0]=4 1647 B12R0.234 CCCCNCCCCSC(=O)C 7a_106832991798_200010402107 [0,0,1,0,0,0|3,0,0]=4 1648 B12R0.234 CCCCOCCCCCB(O)O 34a_100000210227_200009817188 [0,0,1,0,0,0|2,0,1]=4 1649 B12R0.234 CCCCOCCCCCB(O)O 7a_100000210227_200009817188 [0,0,1,0,0,0|2,0,1]=4 1650 B12R0.234 CCCCOCCCCCC(=O)N 34a_100000123541_100000210210 [0,0,1,0,0,0|2,0,0]=3 1651 B12R0.234 CCCCOCCCCCC(=O)N 34a_100000210227_100009817443 [0,0,1,0,0,0|2,0,0]=3 1652 B12R0.234 CCCCOCCCCCC(=O)N 7a_100000123541_100000210211 [0,0,1,0,0,0|2,0,0]=3 1653 B12R0.234 CCCCOCCCCCC(=O)N 7a_100000210227_100009817443 [0,0,1,0,0,0|2,0,0]=3 1654 B12R0.234 CCCCOCCCCCC(=O)[O-] 7a_100102619762_100000210211 [0,0,1,0,0,0|1,0,1]=3 1655 B12R0.234 CCCCOCCCCOC(=O)C 34a_100000073216_100000210210 [0,0,1,0,0,0|3,0,0]=4 1656 B12R0.234 CCCCOCCCCOC(=O)C 34a_100000210227_100000033659 [0,0,1,0,0,0|3,0,0]=4 1657 B12R0.234 CCCCOCCCCOC(=O)C 7a_100000073216_100000210211 [0,0,1,0,0,0|3,0,0]=4 1658 B12R0.234 CCCCOCCCCOC(=O)C 7a_100000210227_100000033659 [0,0,1,0,0,0|3,0,0]=4 1659 B12R0.234 CCCCOCCCCSC(=O)C 34a_100000210227_200010402107 [0,0,1,0,0,0|3,0,0]=4 1660 B12R0.234 CCCCOCCCCSC(=O)C 7a_100000210227_200010402107 [0,0,1,0,0,0|3,0,0]=4 1661 B12R0.234 CCCCOCCCNCC(=O)N 2230a_200000211371_100000747473 [0,0,1,0,0,0|3,0,0]=4 1662 B12R0.234 CCCCOCCCNCC(=O)N 34a_200000211371_100000187820 [0,0,1,0,0,0|3,0,0]=4 1663 B12R0.234 CCCCOCCCNCC(=O)[O-] 34a_200000211371_100020667443 [0,0,1,0,0,0|2,0,1]=4 1664 B12R0.234 CCCCOCCCOCC(=O)N 34a_200011215613_100000187820 [0,0,1,0,0,0|3,0,0]=4 1665 B12R0.234 CCCCOCCCOCC(=O)N 7a_200011215613_100000187820 [0,0,1,0,0,0|3,0,0]=4 1666 B12R0.234 CCCCOCCCOCC(=O)[O-] 34a_200011215613_100020667443 [0,0,1,0,0,0|2,0,1]=4 1667 B12R0.234 CCCCOCCNOCC(=O)O 269956a_100000106656_100000743108 [0,0,1,0,0,0|3,0,0]=4 1668 B12R0.234 CCCCOCCOCCC(=O)C 34a_100000759926_100000743108 [0,0,1,0,0,0|3,0,0]=4 1669 B12R0.234 CCCCOCCOCCC(=O)C 7a_100000210238_100000053229 [0,0,1,0,0,0|3,0,0]=4 1670 B12R0.234 CCCCOCCOCCC(=O)C 7a_100000759926_100000743108 [0,0,1,0,0,0|3,0,0]=4 1671 B12R0.234 CCCCOCCOCCC(=O)N 34a_100000210238_100000731001 [0,0,1,0,0,0|3,0,0]=4 1672 B12R0.234 CCCCOCCOCCC(=O)N 34a_100000757172_100000743108 [0,0,1,0,0,0|3,0,0]=4 1673 B12R0.234 CCCCOCCOCCC(=O)N 7a_100000210238_100000744528 [0,0,1,0,0,0|3,0,0]=4 1674 B12R0.234 CCCCOCCOCCC(=O)N 7a_100000757172_100000743108 [0,0,1,0,0,0|3,0,0]=4 1675 B12R0.234 CCCCOCCSCCC(=O)C 62a_100000053229_100000743108 [0,0,1,0,0,0|3,0,0]=4 1676 B12R0.234 CCCCOCCSCCC(=O)C 62a_100000743108_100000053229 [0,0,1,0,0,0|3,0,0]=4 1677 B12R0.234 CCCCOCCSCCC(=O)N 62a_100000743108_100000744528 [0,0,1,0,0,0|3,0,0]=4 1678 B12R0.234 CCCCOCCSCCC(=O)N 62a_100000744528_100000743108 [0,0,1,0,0,0|3,0,0]=4 1679 B12R0.234 CCCCOCNCCCC(=O)N 34a_100000739312_100011995733 [0,0,1,0,0,0|3,0,0]=4 1680 B12R0.234 CCCCOCOCCCC(=O)C 34a_100000759063_100011995733 [0,0,1,0,0,0|3,0,0]=4 1681 B12R0.234 CCCCOCSCCCC(=O)C 62a_100011215641_100011995733 [0,0,1,0,0,0|3,0,0]=4 1682 B12R0.234 CCCCOCSCCCC(=O)C 62a_100011995733_100011215641 [0,0,1,0,0,0|3,0,0]=4 1683 B12R0.234 CCCCOCSCCCC(=O)N 62a_100011995733_100102525003 [0,0,1,0,0,0|3,0,0]=4 1684 B12R0.234 CCCCOCSCCCC(=O)N 62a_100102525003_100011995733 [0,0,1,0,0,0|3,0,0]=4 1685 B12R0.234 CCCCSCCCCCB(O)O 62a_100000210211_200009817188 [0,0,1,0,0,0|2,0,1]=4 1686 B12R0.234 CCCCSCCCCCB(O)O 62a_200009817188_100000210210 [0,0,1,0,0,0|2,0,1]=4 1687 B12R0.234 CCCCSCCCCCC(=O)N 62a_100000210211_100009817443 [0,0,1,0,0,0|2,0,0]=3 1688 B12R0.234 CCCCSCCCCCC(=O)N 62a_100009817443_100000210210 [0,0,1,0,0,0|2,0,0]=3 1689 B12R0.234 CCCCSCCCCOC(=O)C 62a_100000033659_100000210210 [0,0,1,0,0,0|3,0,0]=4 1690 B12R0.234 CCCCSCCCCOC(=O)C 62a_100000210211_100000033659 [0,0,1,0,0,0|3,0,0]=4 1691 B12R0.234 CCCCSCCCCSC(=O)C 62a_100000210211_200010402107 [0,0,1,0,0,0|3,0,0]=4 1692 B12R0.234 CCCCSCCCCSC(=O)C 62a_200010402107_100000210210 [0,0,1,0,0,0|3,0,0]=4 1693 B12R0.234 CCCCSCCNCCC(=O)N 2230a_100025743550_100000744528 [0,0,1,0,0,0|3,0,0]=4 1694 B12R0.234 CCCCSCCOCCC(=O)C 7a_200000230436_100000053229 [0,0,1,0,0,0|3,0,0]=4 1695 B12R0.234 CCCCSCCOCCC(=O)N 34a_200000230436_100000731001 [0,0,1,0,0,0|3,0,0]=4 1696 B12R0.234 CCCCSCCOCCC(=O)N 7a_200000230436_100000744528 [0,0,1,0,0,0|3,0,0]=4 1697 B12R0.234 CCCNCCCCCNC(=O)C 2230a_200012022750_100000210303 [0,0,1,0,0,0|3,0,0]=4 1698 B12R0.234 CCCNCCCCCNC(=O)C 34a_200012022750_100000210303 [0,0,1,0,0,0|3,0,0]=4 1699 B12R0.234 CCCOCCCCCCB(O)O 34a_100000210258_100009817187 [0,0,1,0,0,0|2,0,1]=4 1700 B12R0.234 CCCOCCCCCOC(=O)C 34a_100000210258_100000033007 [0,0,1,0,0,0|3,0,0]=4 1701 B12R0.234 CCCOCCCNCCC(=O)N 2230a_100011217757_100000744528 [0,0,1,0,0,0|3,0,0]=4 1702 B12R0.234 CCCOCCCNCCC(=O)N 34a_100011217757_100000731001 [0,0,1,0,0,0|3,0,0]=4 1703 B12R0.234 CCCOCCNCCCC(=O)C 34a_100161115042_100000685027 [0,0,1,0,0,0|3,0,0]=4 1704 B12R0.234 CCCOCCNCCCC(=O)N 34a_100000739312_100011215938 [0,0,1,0,0,0|3,0,0]=4 1705 B12R0.234 CCCOCCNCCCC(=O)N 34a_100161115042_100102525003 [0,0,1,0,0,0|3,0,0]=4 1706 B12R0.234 CCCOCCOCCCC(=O)C 34a_100000752267_100000685027 [0,0,1,0,0,0|3,0,0]=4 1707 B12R0.234 CCCOCCOCCCC(=O)C 34a_100000759063_100011215938 [0,0,1,0,0,0|3,0,0]=4 1708 B12R0.234 CCCOCCOCCCC(=O)C 7a_100000752267_100011215641 [0,0,1,0,0,0|3,0,0]=4 1709 B12R0.234 CCCOCCOCCCC(=O)C 7a_100000759063_100011215938 [0,0,1,0,0,0|3,0,0]=4 1710 B12R0.234 CCCOCCOCCCC(=O)N 34a_100000752267_100102525003 [0,0,1,0,0,0|3,0,0]=4 1711 B12R0.234 CCCOCCOCCCC(=O)N 7a_100000752267_100102525003 [0,0,1,0,0,0|3,0,0]=4 1712 B12R0.234 CCCOCCSCCCC(=O)C 62a_100011215641_100011215938 [0,0,1,0,0,0|3,0,0]=4 1713 B12R0.234 CCCOCCSCCCC(=O)C 62a_100011215938_100011215641 [0,0,1,0,0,0|3,0,0]=4 1714 B12R0.234 CCCOCCSCCCC(=O)N 62a_100011215938_100102525003 [0,0,1,0,0,0|3,0,0]=4 1715 B12R0.234 CCCOCCSCCCC(=O)N 62a_100102525003_100011215938 [0,0,1,0,0,0|3,0,0]=4 1716 B12R0.234 CCCSCCCCCCB(O)O 62a_100000210303_100009817187 [0,0,1,0,0,0|2,0,1]=4 1717 B12R0.234 CCCSCCCCCCB(O)O 62a_100009817187_100000210303 [0,0,1,0,0,0|2,0,1]=4 1718 B12R0.234 CCCSCCCCCOC(=O)C 62a_100000033007_100000210303 [0,0,1,0,0,0|3,0,0]=4 1719 B12R0.234 CCCSCCCCCOC(=O)C 62a_100000210303_100000033007 [0,0,1,0,0,0|3,0,0]=4 1720 B12R0.234 CCCSCCOCCCC(=O)C 34a_200000230433_100000685027 [0,0,1,0,0,0|3,0,0]=4 1721 B12R0.234 CCCSCCOCCCC(=O)C 7a_200000230433_100011215641 [0,0,1,0,0,0|3,0,0]=4 1722 B12R0.234 CCCSCCOCCCC(=O)N 34a_200000230433_100102525003 [0,0,1,0,0,0|3,0,0]=4 1723 B12R0.234 CCCSCCOCCCC(=O)N 7a_200000230433_100102525003 [0,0,1,0,0,0|3,0,0]=4 1724 B12R0.234 CCNCCCCCCNC(=O)C 2230a_200011996284_100000210202 [0,0,1,0,0,0|3,0,0]=4 1725 B12R0.234 CCNCCCCCCNC(=O)C 34a_200011996284_100000210202 [0,0,1,0,0,0|3,0,0]=4 1726 B12R0.234 CCNCCOCCOCC(=O)O 269956a_100009854275_100000210202 [0,0,1,0,0,0|3,0,0]=4 1727 B12R0.234 CCOCCCNCCCC(=O)C 34a_100000210961_100000685027 [0,0,1,0,0,0|3,0,0]=4 1728 B12R0.234 CCOCCCNCCCC(=O)N 34a_100000210961_100102525003 [0,0,1,0,0,0|3,0,0]=4 1729 B12R0.234 CCOCCCNCCCC(=O)N 34a_100000739312_100012232248 [0,0,1,0,0,0|3,0,0]=4 1730 B12R0.234 CCOCCCOCCCC(=O)C 34a_100000757476_100000685027 [0,0,1,0,0,0|3,0,0]=4 1731 B12R0.234 CCOCCCOCCCC(=O)C 34a_100000759063_100012232248 [0,0,1,0,0,0|3,0,0]=4 1732 B12R0.234 CCOCCCOCCCC(=O)C 7a_100000757476_100011215641 [0,0,1,0,0,0|3,0,0]=4 1733 B12R0.234 CCOCCCOCCCC(=O)C 7a_100000759063_100012232248 [0,0,1,0,0,0|3,0,0]=4 1734 B12R0.234 CCOCCCOCCCC(=O)N 34a_100000757476_100102525003 [0,0,1,0,0,0|3,0,0]=4 1735 B12R0.234 CCOCCCOCCCC(=O)N 7a_100000757476_100102525003 [0,0,1,0,0,0|3,0,0]=4 1736 B12R0.234 CCOCCCSCCCC(=O)C 62a_100011215641_100012232248 [0,0,1,0,0,0|3,0,0]=4 1737 B12R0.234 CCOCCCSCCCC(=O)C 62a_100012232248_100011215641 [0,0,1,0,0,0|3,0,0]=4 1738 B12R0.234 CCOCCCSCCCC(=O)N 62a_100012232248_100102525003 [0,0,1,0,0,0|3,0,0]=4 1739 B12R0.234 CCOCCCSCCCC(=O)N 62a_100102525003_100012232248 [0,0,1,0,0,0|3,0,0]=4 1740 B12R0.234 CCOCCNCCCCC(=O)C 34a_102516460346_100009817362 [0,0,1,0,0,0|3,0,0]=4 1741 B12R0.234 CCOCCNCCCCC(=O)N 34a_100000696515_100000210147 [0,0,1,0,0,0|3,0,0]=4 1742 B12R0.234 CCOCCNCCOCC(=O)O 269956a_100000700818_100000210147 [0,0,1,0,0,0|3,0,0]=4 1743 B12R0.234 CCOCCOCCCCC(=O)C 34a_100000210136_100009817362 [0,0,1,0,0,0|3,0,0]=4 1744 B12R0.234 CCOCCOCCCCC(=O)C 7a_100000210136_100000735457 [0,0,1,0,0,0|3,0,0]=4 1745 B12R0.234 CCOCCOCCCCC(=O)N 34a_100012022536_100000210147 [0,0,1,0,0,0|3,0,0]=4 1746 B12R0.234 CCOCCOCCCCC(=O)N 7a_100012022536_100011215890 [0,0,1,0,0,0|3,0,0]=4 1747 B12R0.234 CCOCCOCCNCC(=O)O 269956a_100016091260_100011211534 [0,0,1,0,0,0|3,0,0]=4 1748 B12R0.234 CCOCCSCCCCC(=O)C 62a_100000210147_100000735457 [0,0,1,0,0,0|3,0,0]=4 1749 B12R0.234 CCOCCSCCCCC(=O)C 62a_100000735457_100011215890 [0,0,1,0,0,0|3,0,0]=4 1750 B12R0.234 CCOCSCCCCCC(=O)N 62a_100000739092_100009817443 [0,0,1,0,0,0|3,0,0]=4 1751 B12R0.234 CCOCSCCCCCC(=O)N 62a_100009817443_100000739092 [0,0,1,0,0,0|3,0,0]=4 1752 B12R0.234 CCSCCCOCCCC(=O)C 34a_100011216438_100000685027 [0,0,1,0,0,0|3,0,0]=4 1753 B12R0.234 CCSCCCOCCCC(=O)C 7a_100011216438_100011215641 [0,0,1,0,0,0|3,0,0]=4 1754 B12R0.234 CCSCCCOCCCC(=O)N 34a_100011216438_100102525003 [0,0,1,0,0,0|3,0,0]=4 1755 B12R0.234 CCSCCCOCCCC(=O)N 7a_100011216438_100102525003 [0,0,1,0,0,0|3,0,0]=4 1756 B12R0.234 CCSCCNCCCCC(=O)N 34a_100000696515_100000757381 [0,0,1,0,0,0|3,0,0]=4 1757 B12R0.234 CCSCCNCCOCC(=O)O 269956a_100000700818_100000757381 [0,0,1,0,0,0|3,0,0]=4 1758 B12R0.234 CCSCCOCCCCC(=O)C 34a_100000212035_100009817362 [0,0,1,0,0,0|3,0,0]=4 1759 B12R0.234 CCSCCOCCCCC(=O)C 7a_100000212035_100000735457 [0,0,1,0,0,0|3,0,0]=4 1760 B12R0.234 CCSCCOCCCCC(=O)N 34a_100012022536_100000757381 [0,0,1,0,0,0|3,0,0]=4 1761 B12R0.234 CCSCCOCCCCC(=O)N 7a_100012022536_100000757381 [0,0,1,0,0,0|3,0,0]=4 1762 B12R0.234 CCSCCSCCCCC(=O)C 62a_100000735457_100000757381 [0,0,1,0,0,0|3,0,0]=4 1763 B12R0.234 CCSCCSCCCCC(=O)C 62a_100000757381_100000735457 [0,0,1,0,0,0|3,0,0]=4 1764 B12R0.234 CNCCCCCOCCC(=O)N 34a_100000722520_100000731001 [0,0,1,0,0,0|3,0,0]=4 1765 B12R0.234 CNCCCOCCCCC(=O)C 34a_100000213112_100009817362 [0,0,1,0,0,0|3,0,0]=4 1766 B12R0.234 COCCCCCCNCC(=O)N 2230a_100000711301_100011998445 [0,0,1,0,0,0|3,0,0]=4 1767 B12R0.234 COCCCCCCNCC(=O)O 269956a_100016091260_100011998445 [0,0,1,0,0,0|2,0,0]=3 1768 B12R0.234 COCCCCCCOCC(=O)C 34a_100000211253_100011998445 [0,0,1,0,0,0|3,0,0]=4 1769 B12R0.234 COCCCCCCOCC(=O)N 34a_200012092642_100000187820 [0,0,1,0,0,0|3,0,0]=4 1770 B12R0.234 COCCCCCCOCC(=O)N 7a_200012092642_100000187820 [0,0,1,0,0,0|3,0,0]=4 1771 B12R0.234 COCCCCCCOCC(=O)[O-] 34a_200012092642_100020667443 [0,0,1,0,0,0|2,0,1]=4 1772 B12R0.234 COCCCCCCSCC(=O)N 62a_100000747473_100011998445 [0,0,1,0,0,0|3,0,0]=4 1773 B12R0.234 COCCCCCCSCC(=O)N 62a_100011998445_100000747473 [0,0,1,0,0,0|3,0,0]=4 1774 B12R0.234 COCCCCCCSCC(=O)[O-] 62a_100011998445_100020667443 [0,0,1,0,0,0|2,0,1]=4 1775 B12R0.234 COCCCCCCSCC(=O)[O-] 62a_100020667443_100011998445 [0,0,1,0,0,0|2,0,1]=4 1776 B12R0.234 COCCCCCNCCC(=O)N 2230a_100000747528_100000744528 [0,0,1,0,0,0|3,0,0]=4 1777 B12R0.234 COCCCCCNCCC(=O)N 34a_100000747528_100000731001 [0,0,1,0,0,0|3,0,0]=4 1778 B12R0.234 COCCCCNCCCC(=O)N 34a_100000739312_100000755781 [0,0,1,0,0,0|3,0,0]=4 1779 B12R0.234 COCCCCOCCCC(=O)C 34a_100000740925_100000685027 [0,0,1,0,0,0|3,0,0]=4 1780 B12R0.234 COCCCCOCCCC(=O)C 34a_100000759063_100000755781 [0,0,1,0,0,0|3,0,0]=4 1781 B12R0.234 COCCCCOCCCC(=O)C 7a_100000759063_100000730899 [0,0,1,0,0,0|3,0,0]=4 1782 B12R0.234 COCCCCOCCCC(=O)N 34a_100000740925_100102525003 [0,0,1,0,0,0|3,0,0]=4 1783 B12R0.234 COCCCCSCCCC(=O)C 62a_100000730899_100011215641 [0,0,1,0,0,0|3,0,0]=4 1784 B12R0.234 COCCCCSCCCC(=O)C 62a_100011215641_100000730899 [0,0,1,0,0,0|3,0,0]=4 1785 B12R0.234 COCCCCSCCCC(=O)N 62a_100000730899_100102525003 [0,0,1,0,0,0|3,0,0]=4 1786 B12R0.234 COCCCCSCCCC(=O)N 62a_100102525003_100000730899 [0,0,1,0,0,0|3,0,0]=4 1787 B12R0.234 COCCCNCCCCC(=O)C 34a_100150723488_100009817362 [0,0,1,0,0,0|3,0,0]=4 1788 B12R0.234 COCCCNCCCCC(=O)N 34a_100000696515_100000740836 [0,0,1,0,0,0|3,0,0]=4 1789 B12R0.234 COCCCNCCOCC(=O)O 269956a_100000700818_100000740836 [0,0,1,0,0,0|3,0,0]=4 1790 B12R0.234 COCCCOCCCCC(=O)C 34a_100000740835_100009817362 [0,0,1,0,0,0|3,0,0]=4 1791 B12R0.234 COCCCOCCCCC(=O)N 34a_100012022536_100000740836 [0,0,1,0,0,0|3,0,0]=4 1792 B12R0.234 COCCCOCCCCC(=O)N 7a_100012022536_100000740836 [0,0,1,0,0,0|3,0,0]=4 1793 B12R0.234 COCCCSCCCCC(=O)C 62a_100000709357_100000735457 [0,0,1,0,0,0|3,0,0]=4 1794 B12R0.234 COCCCSCCCCC(=O)C 62a_100000735457_100000709357 [0,0,1,0,0,0|3,0,0]=4 1795 B12R0.234 COCCNCCCCCC(=O)N 2230a_100000209980_100009817443 [0,0,1,0,0,0|3,0,0]=4 1796 B12R0.234 COCCOCCCCCC(=O)N 34a_100000123541_100011201679 [0,0,1,0,0,0|3,0,0]=4 1797 B12R0.234 COCCOCCCCCC(=O)N 34a_100000210237_100009817443 [0,0,1,0,0,0|3,0,0]=4 1798 B12R0.234 COCCOCCCCCC(=O)N 7a_100000123541_100000233755 [0,0,1,0,0,0|3,0,0]=4 1799 B12R0.234 COCCOCCCCCC(=O)[O-] 7a_100102619762_100000233755 [0,0,1,0,0,0|2,0,1]=4 1800 B12R0.234 COCCOCCCNCC(=O)O 269956a_100016091260_100011216529 [0,0,1,0,0,0|3,0,0]=4 1801 B12R0.234 COCCSCCCCCC(=O)N 62a_100000233755_100009817443 [0,0,1,0,0,0|3,0,0]=4 1802 B12R0.234 COCCSCCCCCC(=O)N 62a_100009817443_100000233755 [0,0,1,0,0,0|3,0,0]=4 1803 B12R0.234 CSCCCCOCCCC(=O)C 34a_100011217163_100000685027 [0,0,1,0,0,0|3,0,0]=4 1804 B12R0.234 CSCCCCOCCCC(=O)C 7a_100011217163_100011215641 [0,0,1,0,0,0|3,0,0]=4 1805 B12R0.234 CSCCCCOCCCC(=O)N 34a_100011217163_100102525003 [0,0,1,0,0,0|3,0,0]=4 1806 B12R0.234 CSCCCCOCCCC(=O)N 7a_100011217163_100102525003 [0,0,1,0,0,0|3,0,0]=4 1807 B12R0.234 CSCCCOCCCCC(=O)C 34a_100000690336_100009817362 [0,0,1,0,0,0|3,0,0]=4 1808 B12R0.234 CSCCCOCCCCC(=O)C 7a_100000690336_100000735457 [0,0,1,0,0,0|3,0,0]=4 1809 B12R0.234 CSCCNCCCCCC(=O)N 2230a_100020590264_100009817443 [0,0,1,0,0,0|3,0,0]=4 1810 B12R0.234 CSCCOCCCCCC(=O)N 34a_100000123541_100000212216 [0,0,1,0,0,0|3,0,0]=4 1811 B12R0.234 CSCCOCCCCCC(=O)N 34a_100000230434_100009817443 [0,0,1,0,0,0|3,0,0]=4 1812 B12R0.234 CSCCOCCCCCC(=O)N 7a_100000123541_100000212216 [0,0,1,0,0,0|3,0,0]=4 1813 B12R0.234 CSCCOCCCCCC(=O)N 7a_100000230434_100009817443 [0,0,1,0,0,0|3,0,0]=4 1814 B12R0.234 CSCCOCCCCCC(=O)[O-] 7a_100102619762_100000212216 [0,0,1,0,0,0|2,0,1]=4 1815 B12R0.234 CSCCSCCCCCC(=O)N 62a_100000212216_100009817443 [0,0,1,0,0,0|3,0,0]=4 1816 B12R0.234 CSCCSCCCCCC(=O)N 62a_100009817443_100000751147 [0,0,1,0,0,0|3,0,0]=4 1817 B12R0.234 N#CCCCCCCNCC(=O)O 269956a_100016091260_100009813337 [0,0,1,0,0,0|2,0,1]=4 1818 B12R0.234 NC(=O)CCCCCNCCCF 2230a_100015189416_100009817443 [0,0,1,0,0,0|3,0,0]=4 1819 B12R0.234 NC(=O)CCCCCNCCCF 34a_100015189416_100009817443 [0,0,1,0,0,0|3,0,0]=4 1820 B12R0.234 NC(=O)CCCCCOCCCBr 34a_100011217188_100009817443 [0,0,1,0,0,0|3,0,0]=4 1821 B12R0.234 NC(=O)CCCCCOCCCCl 34a_100000230001_100009817443 [0,0,1,0,0,0|3,0,0]=4 1822 B12R0.234 NC(=O)CCCCCOCCCF 34a_100000123541_100011934791 [0,0,1,0,0,0|3,0,0]=4 1823 B12R0.234 NC(=O)CCCCCOCCCF 34a_100000759539_100009817443 [0,0,1,0,0,0|3,0,0]=4 1824 B12R0.234 NC(=O)CCCCCOCCCF 7a_100000123541_100011934791 [0,0,1,0,0,0|3,0,0]=4 1825 B12R0.234 NC(=O)CCCCCOCCCO 34a_100000123541_100000230001 [0,0,1,0,0,0|3,0,0]=4 1826 B12R0.234 NC(=O)CCCCCOCCCO 7a_100000123541_100011215043 [0,0,1,0,0,0|3,0,0]=4 1827 B12R0.234 NC(=O)CCCCCSCCCF 62a_100009817443_100011934791 [0,0,1,0,0,0|3,0,0]=4 1828 B12R0.234 NC(=O)CCCCCSCCCF 62a_100011934791_100009817443 [0,0,1,0,0,0|3,0,0]=4 1829 B12R0.234 NC(=O)CCCCCSCCCO 62a_100009817443_100011215043 [0,0,1,0,0,0|3,0,0]=4 1830 B12R0.234 NC(=O)CCCCCSCCCO 62a_100011215043_100009817443 [0,0,1,0,0,0|3,0,0]=4 1831 B12R0.234 NC(=O)CCCCNCCCCF 34a_100000696515_100000729493 [0,0,1,0,0,0|3,0,0]=4 1832 B12R0.234 NC(=O)CCCCNCCCCO 34a_100000696515_100011216708 [0,0,1,0,0,0|3,0,0]=4 1833 B12R0.234 NC(=O)CCCCOCCCCF 34a_100012022536_100000729493 [0,0,1,0,0,0|3,0,0]=4 1834 B12R0.234 NC(=O)CCCCOCCCCF 7a_100012022536_100000729493 [0,0,1,0,0,0|3,0,0]=4 1835 B12R0.234 NC(=O)CCCCOCCCCO 34a_100012022536_100011216708 [0,0,1,0,0,0|3,0,0]=4 1836 B12R0.234 NC(=O)CCCCOCCCCO 7a_100012022536_100000210776 [0,0,1,0,0,0|3,0,0]=4 1837 B12R0.234 NC(=O)CCCNCCCCCF 34a_100000739312_100000729378 [0,0,1,0,0,0|3,0,0]=4 1838 B12R0.234 NC(=O)CCCNCCCCCO 34a_100000739312_100000746330 [0,0,1,0,0,0|3,0,0]=4 1839 B12R0.234 NC(=O)CCCNCCCCCO 34a_100000762737_100102525003 [0,0,1,0,0,0|3,0,0]=4 1840 B12R0.234 NC(=O)CCCOCCCCCBr 34a_100000746331_100102525003 [0,0,1,0,0,0|3,0,0]=4 1841 B12R0.234 NC(=O)CCCOCCCCCBr 7a_100000746331_100102525003 [0,0,1,0,0,0|3,0,0]=4 1842 B12R0.234 NC(=O)CCCOCCCCCCl 34a_100000746330_100102525003 [0,0,1,0,0,0|3,0,0]=4 1843 B12R0.234 NC(=O)CCCOCCCCCCl 7a_100000746330_100102525003 [0,0,1,0,0,0|3,0,0]=4 1844 B12R0.234 NC(=O)CCCOCCCCCI 34a_200012148887_100102525003 [0,0,1,0,0,0|3,0,0]=4 1845 B12R0.234 NC(=O)CCCOCCCCCI 7a_200012148887_100102525003 [0,0,1,0,0,0|3,0,0]=4 1846 B12R0.234 NC(=O)CCCSCCCCCF 62a_100000729378_100102525003 [0,0,1,0,0,0|3,0,0]=4 1847 B12R0.234 NC(=O)CCCSCCCCCF 62a_100102525003_100000729378 [0,0,1,0,0,0|3,0,0]=4 1848 B12R0.234 NC(=O)CCCSCCCCCO 62a_100000746330_100102525003 [0,0,1,0,0,0|3,0,0]=4 1849 B12R0.234 NC(=O)CCCSCCCCCO 62a_100102525003_100000746330 [0,0,1,0,0,0|3,0,0]=4 1850 B12R0.234 NC(=O)CCNCCCCCCO 2230a_100000686447_100000744528 [0,0,1,0,0,0|3,0,0]=4 1851 B12R0.234 NC(=O)CCNCCCCCCO 34a_100000686447_100000731001 [0,0,1,0,0,0|3,0,0]=4 1852 B12R0.234 NC(=O)CCOCCCCCCBr 34a_100011215345_100000731001 [0,0,1,0,0,0|3,0,0]=4 1853 B12R0.234 NC(=O)CCOCCCCCCBr 7a_100011215345_100000744528 [0,0,1,0,0,0|3,0,0]=4 1854 B12R0.234 NC(=O)CCOCCCCCCCl 34a_100000766143_100000731001 [0,0,1,0,0,0|3,0,0]=4 1855 B12R0.234 NC(=O)CCOCCCCCCCl 7a_100000766143_100000744528 [0,0,1,0,0,0|3,0,0]=4 1856 B12R0.234 NC(=O)CCOCCCCCCF 34a_100000732779_100000731001 [0,0,1,0,0,0|3,0,0]=4 1857 B12R0.234 NC(=O)CCOCCCCCCF 34a_100000757172_100015922095 [0,0,1,0,0,0|3,0,0]=4 1858 B12R0.234 NC(=O)CCOCCCCCCF 7a_100000732779_100000744528 [0,0,1,0,0,0|3,0,0]=4 1859 B12R0.234 NC(=O)CCOCCCCCCF 7a_100000757172_100015922095 [0,0,1,0,0,0|3,0,0]=4 1860 B12R0.234 NC(=O)CCOCCCCCCO 34a_100000757172_100000766143 [0,0,1,0,0,0|3,0,0]=4 1861 B12R0.234 NC(=O)CCOCCCCCCO 7a_100000757172_100000766143 [0,0,1,0,0,0|3,0,0]=4 1862 B12R0.234 NC(=O)CCSCCCCCCF 62a_100000744528_100015922095 [0,0,1,0,0,0|3,0,0]=4 1863 B12R0.234 NC(=O)CCSCCCCCCF 62a_100015922095_100000744528 [0,0,1,0,0,0|3,0,0]=4 1864 B12R0.234 NC(=O)CCSCCCCCCO 62a_100000744528_100000766143 [0,0,1,0,0,0|3,0,0]=4 1865 B12R0.234 NC(=O)CCSCCCCCCO 62a_100000766143_100000744528 [0,0,1,0,0,0|3,0,0]=4 1866 B12R0.234 NC(=O)CNCCCCCCCO 2230a_100000711301_100000760002 [0,0,1,0,0,0|3,0,0]=4 1867 B12R0.234 NC(=O)CNCCCCCCCO 2230a_100011996573_100000747473 [0,0,1,0,0,0|3,0,0]=4 1868 B12R0.234 NC(=O)CNCCCCCCCO 34a_100011996573_100000187820 [0,0,1,0,0,0|3,0,0]=4 1869 B12R0.234 NC(=O)COCCCCCCCBr 34a_100000760002_100000187820 [0,0,1,0,0,0|3,0,0]=4 1870 B12R0.234 NC(=O)COCCCCCCCBr 7a_100000760002_100000187820 [0,0,1,0,0,0|3,0,0]=4 1871 B12R0.234 NC(=O)CSCCCCCCCO 62a_100000747473_100000760002 [0,0,1,0,0,0|3,0,0]=4 1872 B12R0.234 NC(=O)CSCCCCCCCO 62a_100000760002_100000747473 [0,0,1,0,0,0|3,0,0]=4 1873 B12R0.234 NCCCCCCCOCC(=O)N 34a_100011996573_100000187820 [0,0,1,0,0,0|3,0,0]=4 1874 B12R0.234 NCCCCCCCOCC(=O)[O-] 34a_100011996573_100020667443 [0,0,1,0,0,0|2,0,1]=4 1875 B12R0.234 NCCCCCCOCCC(=O)N 34a_100000686447_100000731001 [0,0,1,0,0,0|3,0,0]=4 1876 B12R0.234 NCCCCCOCCCC(=O)N 34a_100000762737_100102525003 [0,0,1,0,0,0|3,0,0]=4 1877 B12R0.234 NCCCOCCCCCC(=O)N 34a_100000182051_100009817443 [0,0,1,0,0,0|3,0,0]=4 1878 B12R0.234 O=C(O)CNCCCCCCCO 269956a_100016091260_100000760002 [0,0,1,0,0,0|2,0,0]=3 1879 B12R0.234 O=C(O)COCCNCCCCF 269956a_100000700818_100000729493 [0,0,1,0,0,0|3,0,0]=4 1880 B12R0.234 O=C(O)COCCNCCCCO 269956a_100000700818_100000210776 [0,0,1,0,0,0|3,0,0]=4 1881 B12R0.234 O=C(O)CONCCCCCCF 269956a_100000106656_100015922095 [0,0,1,0,0,0|3,0,0]=4 1882 B12R0.234 O=C(O)CONCCCCCCO 269956a_100000106656_100000766143 [0,0,1,0,0,0|3,0,0]=4 1883 B12R0.234 O=C([O-])CCCCCOCCCF 7a_100102619762_100011934791 [0,0,1,0,0,0|2,0,1]=4 1884 B12R0.234 O=C([O-])CCCCCOCCCO 7a_100102619762_100011215043 [0,0,1,0,0,0|2,0,1]=4 1885 B12R0.234 O=C([O-])CNCCCCCCCO 34a_100011996573_100020667443 [0,0,1,0,0,0|2,0,1]=4 1886 B12R0.234 O=C([O-])COCCCCCCCBr 34a_100000760002_100020667443 [0,0,1,0,0,0|2,0,1]=4 1887 B12R0.234 O=C([O-])CSCCCCCCCO 62a_100000760002_100020667443 [0,0,1,0,0,0|2,0,1]=4 1888 B12R0.234 O=C([O-])CSCCCCCCCO 62a_100020667443_100000760002 [0,0,1,0,0,0|2,0,1]=4 1889 B12R0.234 [13CH3]C(=O)CCCCCCCCCF 1458a_200009909015_200025704644 [0,0,1,0,0,0|2,0,0]=3 1890 B12R0.248 C#CC(=O)CCCCCCCCC 1458a_100000211873_100000210670 [0,0,1,0,0,0|1,0,2]=4 1891 B12R0.248 C#CCCCCCCCC(=O)CC 1458a_100000087357_100000210202 [0,0,1,0,0,0|1,0,2]=4 1892 B12R0.248 C#CCCCCCCCC(=O)CC 1458a_100000210414_100153394163 [0,0,1,0,0,0|1,0,2]=4 1893 B12R0.248 C#CCCCOCCOC(=O)CC 7a_200000031056_100011215417 [0,0,1,0,0,0|1,0,2]=4 1894 B12R0.248 C=CC(=O)CCCCCCCCC 1458a_100000185746_100000210670 [0,0,1,0,0,0|1,0,2]=4 1895 B12R0.248 C=CC(=O)NCCCCCCCC 1626a_100000229939_100000185746 [0,0,1,0,0,0|1,0,2]=4 1896 B12R0.248 C=CC(=O)NCCCCCCCC 240690a_100000229939_200121576911 [0,0,1,0,0,0|1,0,2]=4 1897 B12R0.248 C=CC(=O)OCCCCCCNC 2230a_106832991635_100009894100 [0,0,1,0,0,0|1,0,2]=4 1898 B12R0.248 C=CC(=O)OCCCCCCNC 34a_100102657272_100009894100 [0,0,1,0,0,0|1,0,2]=4 1899 B12R0.248 C=CC(=O)OCCCCCCNC 7a_106832991635_100009894100 [0,0,1,0,0,0|1,0,2]=4 1900 B12R0.248 C=CC(=O)OCCCCCCOC 34a_100138415774_100009894100 [0,0,1,0,0,0|1,0,2]=4 1901 B12R0.248 C=CC(=O)OCCCCCCSC 62a_100009894100_200000210301 [0,0,1,0,0,0|1,0,2]=4 1902 B12R0.248 C=CC(=O)OCCCCCCSC 62a_200000210301_100009894100 [0,0,1,0,0,0|1,0,2]=4 1903 B12R0.248 C=CC(=O)OCCCCCCS[13CH3] 62a_100009894100_200025704644 [0,0,1,0,0,0|1,0,2]=4 1904 B12R0.248 C=CC(=O)OCCCCCCS[13CH3] 62a_200025704644_100009894100 [0,0,1,0,0,0|1,0,2]=4 1905 B12R0.248 C=CC(=O)OCCCCCOCC 7a_200011023508_100000210202 [0,0,1,0,0,0|1,0,2]=4 1906 B12R0.248 C=CC(=O)OCCNCCCCC 2230a_100000209983_100009813456 [0,0,1,0,0,0|1,0,2]=4 1907 B12R0.248 C=CC(=O)OCCOCCCCC 34a_100000210253_100009813456 [0,0,1,0,0,0|1,0,2]=4 1908 B12R0.248 C=CC(=O)OCCOCCCCC 7a_100000210253_100009813456 [0,0,1,0,0,0|1,0,2]=4 1909 B12R0.248 C=CC(=O)OCCSCCCCC 62a_100000210326_100009813456 [0,0,1,0,0,0|1,0,2]=4 1910 B12R0.248 C=CC(=O)OCCSCCCCC 62a_100009813456_100000210326 [0,0,1,0,0,0|1,0,2]=4 1911 B12R0.248 C=CCCCCCCCC(=O)CC 1458a_100000210414_100012355270 [0,0,1,0,0,0|1,0,2]=4 1912 B12R0.248 C=CCCCCCCCC(=O)CC 1458a_100011216160_100000210202 [0,0,1,0,0,0|1,0,2]=4 1913 B12R0.248 C=CCCCOCCOC(=O)CC 7a_200000031056_100000757094 [0,0,1,0,0,0|1,0,2]=4 1914 B12R0.248 CC/C=C\COCCOC(=O)CC 7a_200000031056_100103147603 [0,0,1,0,0,0|1,0,2]=4 1915 B12R0.248 CCC#CCOCCOC(=O)CC 7a_200000031056_100009813939 [0,0,1,0,0,0|1,0,2]=4 1916 B12R0.248 CCC(=O)CCCCCCCCO 1458a_100000210414_100000033203 [0,0,1,0,0,0|2,0,0]=3 1917 B12R0.248 CCC(=O)COCCCCCCBr 7a_100011215345_100000747405 [0,0,1,0,0,0|3,0,0]=4 1918 B12R0.248 CCC(=O)COCCCCCCCl 7a_100000766143_100000747405 [0,0,1,0,0,0|3,0,0]=4 1919 B12R0.248 CCC(=O)COCCCCCCF 34a_100000725409_100015922095 [0,0,1,0,0,0|3,0,0]=4 1920 B12R0.248 CCC(=O)COCCCCCCF 7a_100000732779_100000747405 [0,0,1,0,0,0|3,0,0]=4 1921 B12R0.248 CCC(=O)COCCCCCCO 34a_100000725409_100000766143 [0,0,1,0,0,0|3,0,0]=4 1922 B12R0.248 CCC(=O)CSCCCCCCF 62a_100000747405_100015922095 [0,0,1,0,0,0|3,0,0]=4 1923 B12R0.248 CCC(=O)CSCCCCCCF 62a_100015922095_100000747405 [0,0,1,0,0,0|3,0,0]=4 1924 B12R0.248 CCC(=O)CSCCCCCCO 62a_100000747405_100000766143 [0,0,1,0,0,0|3,0,0]=4 1925 B12R0.248 CCC(=O)CSCCCCCCO 62a_100000766143_100000747405 [0,0,1,0,0,0|3,0,0]=4 1926 B12R0.248 CCC(=O)NCCCCCCCO 240690a_100011996573_100000210414 [0,0,1,0,0,0|2,0,0]=3 1927 B12R0.248 CCC(=O)NCCCOCCCO 240690a_100011310245_100000210414 [0,0,1,0,0,0|3,0,0]=4 1928 B12R0.248 CCC(=O)NCCCOCCOC 1626a_100000206027_100000210414 [0,0,1,0,0,0|3,0,0]=4 1929 B12R0.248 CCC(=O)NCCCOCCOC 240690a_100000206027_100000210414 [0,0,1,0,0,0|3,0,0]=4 1930 B12R0.248 CCC(=O)NCCNCCCCF 34a_100132302217_100000729493 [0,0,1,0,0,0|3,0,0]=4 1931 B12R0.248 CCC(=O)NCCNCCCCO 34a_100132302217_100011216708 [0,0,1,0,0,0|3,0,0]=4 1932 B12R0.248 CCC(=O)NCCNCCCOC 34a_100132302217_100000740836 [0,0,1,0,0,0|3,0,0]=4 1933 B12R0.248 CCC(=O)NCCOCCCCF 34a_200000158885_100000729493 [0,0,1,0,0,0|3,0,0]=4 1934 B12R0.248 CCC(=O)NCCOCCCCF 7a_200000158885_100000729493 [0,0,1,0,0,0|3,0,0]=4 1935 B12R0.248 CCC(=O)NCCOCCCCO 34a_200000158885_100011216708 [0,0,1,0,0,0|3,0,0]=4 1936 B12R0.248 CCC(=O)NCCOCCCCO 7a_200000158885_100000210776 [0,0,1,0,0,0|3,0,0]=4 1937 B12R0.248 CCC(=O)NCCOCCCOC 34a_200000158885_100000740836 [0,0,1,0,0,0|3,0,0]=4 1938 B12R0.248 CCC(=O)NCCOCCCOC 7a_200000158885_100000740836 [0,0,1,0,0,0|3,0,0]=4 1939 B12R0.248 CCC(=O)OCCOCCCC#N 7a_200000031056_100000687738 [0,0,1,0,0,0|2,0,1]=4 1940 B12R0.248 CCC(=O)OCCOCCCC=O 7a_200000031056_200011292268 [0,0,1,0,0,0|2,0,1]=4 1941 B12R0.248 CCC(=O)OCCOCCCCF 7a_200000031056_100000729493 [0,0,1,0,0,0|2,0,0]=3 1942 B12R0.248 CCC(=O)OCCOCCCCO 7a_200000031056_100000210776 [0,0,1,0,0,0|2,0,0]=3 1943 B12R0.248 CCC(=O)OCCOCCCOC 7a_200000031056_100000740836 [0,0,1,0,0,0|2,0,0]=3 1944 B12R0.248 CCC(C)OCCCCCCCBr 34a_100000760002_100011215416 [0,0,1,0,0,0|2,0,1]=4 1945 B12R0.248 CCC(C)OCCCCCCCBr 7a_100000760002_100000758301 [0,0,1,0,0,0|2,0,1]=4 1946 B12R0.248 CCC(C)OCCCCCCCN 34a_100011996573_100011215416 [0,0,1,0,0,0|2,0,1]=4 1947 B12R0.248 CCC(C)OCCCCCCCO 7a_100000210228_100000760002 [0,0,1,0,0,0|2,0,1]=4 1948 B12R0.248 CCC(C)OCCCCCCOC 34a_200012092642_100011215416 [0,0,1,0,0,0|2,0,1]=4 1949 B12R0.248 CCC(C)OCCCCCCOC 7a_100000210228_100011998445 [0,0,1,0,0,0|2,0,1]=4 1950 B12R0.248 CCC(C)OCCCCCCOC 7a_200012092642_100000758301 [0,0,1,0,0,0|2,0,1]=4 1951 B12R0.248 CCCCC#CCCCC(=O)CC 1458a_100000210414_200000047210 [0,0,1,0,0,0|1,0,2]=4 1952 B12R0.248 CCCCC/C=C/CCC(=O)CC 1458a_200015255902_100000210202 [0,0,1,0,0,0|1,0,2]=4 1953 B12R0.248 CCCCCC/C=C/CC(=O)CC 1458a_100020681715_100000210202 [0,0,1,0,0,0|1,0,2]=4 1954 B12R0.248 CCCCCCC=NNC(=O)CC 4a_100000183195_100000234349 [0,0,1,0,0,0|2,0,1]=4 1955 B12R0.248 CCCCCCCC=CC(=O)CC 1458a_200015332781_100000210202 [0,0,1,0,0,0|1,0,1]=3 1956 B12R0.248 CCCCCCCC=CC(=O)CF 1458a_200015332781_100015361967 [0,0,1,0,0,0|2,0,1]=4 1957 B12R0.248 CCCCCCCC=CC(=O)NC 11a_106832991635_200015332781 [0,0,1,0,0,0|2,0,1]=4 1958 B12R0.248 CCCCCCCC=CC(=O)NC 1626a_100102657272_200015332781 [0,0,1,0,0,0|2,0,1]=4 1959 B12R0.248 CCCCCCCC=CC(=O)NC 240690a_100102657272_200015332781 [0,0,1,0,0,0|2,0,1]=4 1960 B12R0.248 CCCCCCCCCC(=O)CC 1458a_100000210414_100000210670 [0,0,1,0,0,0|1,0,0]=2 1961 B12R0.248 CCCCCCCCCC(=O)CC 1458a_100000210558_100000210202 [0,0,1,0,0,0|1,0,0]=2 1962 B12R0.248 CCCCCCCCCC(=O)CF 1458a_100000210558_100015361967 [0,0,1,0,0,0|2,0,0]=3 1963 B12R0.248 CCCCCCCCCC(=O)CO 1458a_100000210174_100000210670 [0,0,1,0,0,0|2,0,0]=3 1964 B12R0.248 CCCCCCCCCC(=O)NC 11a_106832991635_100000210558 [0,0,1,0,0,0|2,0,0]=3 1965 B12R0.248 CCCCCCCCCC(=O)NC 1626a_100102657272_100000210558 [0,0,1,0,0,0|2,0,0]=3 1966 B12R0.248 CCCCCCCCCC(=O)NC 240690a_100102657272_100000210558 [0,0,1,0,0,0|2,0,0]=3 1967 B12R0.248 CCCCCCCCCC(=O)NC 527a_100102657272_100000210558 [0,0,1,0,0,0|2,0,0]=3 1968 B12R0.248 CCCCCCCCCN(C)CC 2230a_100000225621_100011214924 [0,0,1,0,0,0|3,0,0]=4 1969 B12R0.248 CCCCCCCCCN(C)CC 2230a_100000232482_100000210202 [0,0,1,0,0,0|3,0,0]=4 1970 B12R0.248 CCCCCCCCCN(C)CC 269982a_100000225621_100000210670 [0,0,1,0,0,0|3,0,0]=4 1971 B12R0.248 CCCCCCCCCN(C)CC 269982a_100000232482_100000204670 [0,0,1,0,0,0|3,0,0]=4 1972 B12R0.248 CCCCCCCCNC(=O)CC 11a_100000229939_100000210414 [0,0,1,0,0,0|1,0,0]=2 1973 B12R0.248 CCCCCCCCNC(=O)CC 1626a_100000229939_100000210414 [0,0,1,0,0,0|1,0,0]=2 1974 B12R0.248 CCCCCCCCNC(=O)CC 240690a_100000229939_100000210414 [0,0,1,0,0,0|1,0,0]=2 1975 B12R0.248 CCCCCCCCNC(=O)CC 527a_100000229939_100000210414 [0,0,1,0,0,0|1,0,0]=2 1976 B12R0.248 CCCCCCCCNC(=O)CO 240690a_100000229939_100000210174 [0,0,1,0,0,0|2,0,0]=3 1977 B12R0.248 CCCCCCCCNC(=O)CO 527a_100000229939_100000210174 [0,0,1,0,0,0|2,0,0]=3 1978 B12R0.248 CCCCCCCCNC(=O)NC 2708a_100000229939_106832991635 [0,0,1,0,0,0|2,0,0]=3 1979 B12R0.248 CCCCCCCCNC(=O)NC 2708a_100102657272_100000229939 [0,0,1,0,0,0|2,0,0]=3 1980 B12R0.248 CCCCCCCCNC(=O)NC 273464a_100000229939_100102657272 [0,0,1,0,0,0|2,0,0]=3 1981 B12R0.248 CCCCCCCCNC(=O)NC 273464a_100102657272_100000229939 [0,0,1,0,0,0|2,0,0]=3 1982 B12R0.248 CCCCCCCCNC(=O)NC 512a_100000229939_100102657272 [0,0,1,0,0,0|2,0,0]=3 1983 B12R0.248 CCCCCCCCNC(=O)NC 512a_106832991638_100000229939 [0,0,1,0,0,0|2,0,0]=3 1984 B12R0.248 CCCCCCCCNC(C)CC 2230a_100000209981_100000210759 [0,0,1,0,0,0|2,0,1]=4 1985 B12R0.248 CCCCCCCCNC(C)CC 2230a_100000229939_100000758301 [0,0,1,0,0,0|2,0,1]=4 1986 B12R0.248 CCCCCCCCNC(C)CC 34a_100000229939_100011215416 [0,0,1,0,0,0|2,0,1]=4 1987 B12R0.248 CCCCCCCCOC(C)CC 34a_100000210232_100011215416 [0,0,1,0,0,0|1,0,1]=3 1988 B12R0.248 CCCCCCCCOC(C)CC 7a_100000210228_100000210759 [0,0,1,0,0,0|1,0,1]=3 1989 B12R0.248 CCCCCCCCOC(C)CC 7a_100000210232_100000758301 [0,0,1,0,0,0|1,0,1]=3 1990 B12R0.248 CCCCCCCCOC(C)CF 34a_100016041109_100000210759 [0,0,1,0,0,0|2,0,1]=4 1991 B12R0.248 CCCCCCCCOC(C)CF 7a_100016041109_100000210759 [0,0,1,0,0,0|2,0,1]=4 1992 B12R0.248 CCCCCCCCOC(C)CN 34a_100000210904_100000210759 [0,0,1,0,0,0|2,0,1]=4 1993 B12R0.248 CCCCCCCCOC(C)CO 34a_100000210232_100012180447 [0,0,1,0,0,0|2,0,1]=4 1994 B12R0.248 CCCCCCCCOC(C)CO 7a_100000210232_100012180447 [0,0,1,0,0,0|2,0,1]=4 1995 B12R0.248 CCCCCCCCSC(C)CC 62a_100000210759_100000758301 [0,0,1,0,0,0|1,1,1]=4 1996 B12R0.248 CCCCCCCCSC(C)CC 62a_100000758301_100000210317 [0,0,1,0,0,0|1,1,1]=4 1997 B12R0.248 CCCCCCCNCC(=O)NC 2230a_100000229938_100000183359 [0,0,1,0,0,0|3,0,0]=4 1998 B12R0.248 CCCCCCCNCC(=O)NC 2230a_100000693194_100000210681 [0,0,1,0,0,0|3,0,0]=4 1999 B12R0.248 CCCCCCCNCC(=O)OC 2230a_100000229938_100000747449 [0,0,1,0,0,0|3,0,0]=4 2000 B12R0.248 CCCCCCCOCC(=O)CC 34a_100000725409_100000210614 [0,0,1,0,0,0|2,0,0]=3 2001 B12R0.248 CCCCCCCOCC(=O)CC 7a_100000210272_100000747405 [0,0,1,0,0,0|2,0,0]=3 2002 B12R0.248 CCCCCCCOCC(=O)NC 34a_100000210272_100000183359 [0,0,1,0,0,0|3,0,0]=4 2003 B12R0.248 CCCCCCCOCC(=O)NC 34a_100000750040_100000210614 [0,0,1,0,0,0|3,0,0]=4 2004 B12R0.248 CCCCCCCOCC(=O)NC 7a_100000210272_100000183359 [0,0,1,0,0,0|3,0,0]=4 2005 B12R0.248 CCCCCCCOCC(=O)OC 34a_100000210272_100000747449 [0,0,1,0,0,0|3,0,0]=4 2006 B12R0.248 CCCCCCCOCC(=O)OC 7a_100000210272_100000747449 [0,0,1,0,0,0|3,0,0]=4 2007 B12R0.248 CCCCCCCSCC(=O)CC 62a_100000210614_100000747405 [0,0,1,0,0,0|2,0,0]=3 2008 B12R0.248 CCCCCCCSCC(=O)CC 62a_100000747405_100000210316 [0,0,1,0,0,0|2,0,0]=3 2009 B12R0.248 CCCCCCCSCC(=O)NC 62a_100000183359_100000210316 [0,0,1,0,0,0|3,0,0]=4 2010 B12R0.248 CCCCCCCSCC(=O)NC 62a_100000210614_100000183359 [0,0,1,0,0,0|3,0,0]=4 2011 B12R0.248 CCCCCCCSCC(=O)OC 62a_100000210614_100000747449 [0,0,1,0,0,0|3,0,0]=4 2012 B12R0.248 CCCCCCCSCC(=O)OC 62a_100000747449_100000210316 [0,0,1,0,0,0|3,0,0]=4 2013 B12R0.248 CCCCCCNCCC(=O)NC 2230a_100000210581_100000737683 [0,0,1,0,0,0|3,0,0]=4 2014 B12R0.248 CCCCCCNCCC(=O)NC 2230a_100000738227_100000210314 [0,0,1,0,0,0|3,0,0]=4 2015 B12R0.248 CCCCCCNCCC(=O)NC 34a_100000738227_100000210314 [0,0,1,0,0,0|3,0,0]=4 2016 B12R0.248 CCCCCCNCCC(=O)OC 2230a_100000210581_100000204255 [0,0,1,0,0,0|3,0,0]=4 2017 B12R0.248 CCCCCCOCCC(=O)NC 34a_100000210259_100012179268 [0,0,1,0,0,0|3,0,0]=4 2018 B12R0.248 CCCCCCOCCC(=O)NC 34a_100000754576_100000210314 [0,0,1,0,0,0|3,0,0]=4 2019 B12R0.248 CCCCCCOCCC(=O)NC 7a_100000210259_100000737683 [0,0,1,0,0,0|3,0,0]=4 2020 B12R0.248 CCCCCCOCCC(=O)OC 34a_100000210259_100000742370 [0,0,1,0,0,0|3,0,0]=4 2021 B12R0.248 CCCCCCOCCC(=O)OC 7a_100000210259_100000204255 [0,0,1,0,0,0|3,0,0]=4 2022 B12R0.248 CCCCCCSCCC(=O)NC 62a_100000210314_100000737683 [0,0,1,0,0,0|3,0,0]=4 2023 B12R0.248 CCCCCCSCCC(=O)NC 62a_100000737683_100000210757 [0,0,1,0,0,0|3,0,0]=4 2024 B12R0.248 CCCCCCSCCC(=O)OC 62a_100000204255_100000210757 [0,0,1,0,0,0|3,0,0]=4 2025 B12R0.248 CCCCCCSCCC(=O)OC 62a_100000210314_100000204255 [0,0,1,0,0,0|3,0,0]=4 2026 B12R0.248 CCCCCCSCOC(=O)OC 62a_100000210314_100000139417 [0,0,1,0,0,0|2,0,0]=3 2027 B12R0.248 CCCCCNCCCC(=O)NC 2230a_100000209983_100000741757 [0,0,1,0,0,0|3,0,0]=4 2028 B12R0.248 CCCCCNCCCC(=O)NC 2230a_100000740002_100000210326 [0,0,1,0,0,0|3,0,0]=4 2029 B12R0.248 CCCCCNCCCC(=O)NC 34a_100000740002_100000718602 [0,0,1,0,0,0|3,0,0]=4 2030 B12R0.248 CCCCCNCCCC(=O)OC 2230a_100000209983_100011218270 [0,0,1,0,0,0|3,0,0]=4 2031 B12R0.248 CCCCCNCCNC(=O)CC 34a_100132302217_100000718602 [0,0,1,0,0,0|2,0,0]=3 2032 B12R0.248 CCCCCNCCNC(=O)NC 34a_100015205895_100000718602 [0,0,1,0,0,0|3,0,0]=4 2033 B12R0.248 CCCCCNCCOC(C)CC 34a_100000224656_100011215416 [0,0,1,0,0,0|2,0,1]=4 2034 B12R0.248 CCCCCOCCCC(=O)NC 34a_100000210253_100000741757 [0,0,1,0,0,0|3,0,0]=4 2035 B12R0.248 CCCCCOCCCC(=O)NC 7a_100000210253_100000741757 [0,0,1,0,0,0|3,0,0]=4 2036 B12R0.248 CCCCCOCCCC(=O)OC 34a_100000210253_100000742333 [0,0,1,0,0,0|3,0,0]=4 2037 B12R0.248 CCCCCOCCCC(=O)OC 7a_100000210253_100011218270 [0,0,1,0,0,0|3,0,0]=4 2038 B12R0.248 CCCCCOCCNC(=O)CC 34a_200000158885_100000718602 [0,0,1,0,0,0|2,0,0]=3 2039 B12R0.248 CCCCCOCCNC(=O)CC 7a_200000158885_100000210326 [0,0,1,0,0,0|2,0,0]=3 2040 B12R0.248 CCCCCOCCNC(=O)OC 34a_100000757965_100000718602 [0,0,1,0,0,0|3,0,0]=4 2041 B12R0.248 CCCCCOCCOC(=O)CC 7a_200000031056_100000210326 [0,0,1,0,0,0|1,0,0]=2 2042 B12R0.248 CCCCCOCCOC(=O)NC 34a_100000210253_200011997002 [0,0,1,0,0,0|2,0,0]=3 2043 B12R0.248 CCCCCOCCOC(=O)NC 7a_100000210253_200011997002 [0,0,1,0,0,0|2,0,0]=3 2044 B12R0.248 CCCCCOCCOC(=O)OC 34a_100010262106_100000718602 [0,0,1,0,0,0|2,0,0]=3 2045 B12R0.248 CCCCCOCCOC(C)CC 34a_100011215259_100011215416 [0,0,1,0,0,0|2,0,1]=4 2046 B12R0.248 CCCCCOCCOC(C)CC 7a_100011215259_100000758301 [0,0,1,0,0,0|2,0,1]=4 2047 B12R0.248 CCCCCSCCCC(=O)NC 62a_100000210326_100000741757 [0,0,1,0,0,0|3,0,0]=4 2048 B12R0.248 CCCCCSCCCC(=O)NC 62a_100000741757_100000210326 [0,0,1,0,0,0|3,0,0]=4 2049 B12R0.248 CCCCCSCCCC(=O)OC 62a_100000210326_100011218270 [0,0,1,0,0,0|3,0,0]=4 2050 B12R0.248 CCCCCSCCCC(=O)OC 62a_100011218270_100000210326 [0,0,1,0,0,0|3,0,0]=4 2051 B12R0.248 CCCCCSCCOC(=O)NC 62a_100000210326_200011997002 [0,0,1,0,0,0|2,0,0]=3 2052 B12R0.248 CCCCCSCCOC(=O)NC 62a_200011997002_100000210326 [0,0,1,0,0,0|2,0,0]=3 2053 B12R0.248 CCCCNCCCCC(=O)OC 2230a_100000102301_100000204269 [0,0,1,0,0,0|3,0,0]=4 2054 B12R0.248 CCCCNCCCCC(=O)OC 7a_106832991798_100000204269 [0,0,1,0,0,0|3,0,0]=4 2055 B12R0.248 CCCCOCCCCC(=O)OC 34a_100000059025_100000210210 [0,0,1,0,0,0|3,0,0]=4 2056 B12R0.248 CCCCOCCCCC(=O)OC 34a_100000210227_100000204269 [0,0,1,0,0,0|3,0,0]=4 2057 B12R0.248 CCCCOCCCCC(=O)OC 7a_100000059025_100000210211 [0,0,1,0,0,0|3,0,0]=4 2058 B12R0.248 CCCCOCCCCC(=O)OC 7a_100000210227_100000204269 [0,0,1,0,0,0|3,0,0]=4 2059 B12R0.248 CCCCOCCCNC(=O)CC 1626a_200000211371_100000210414 [0,0,1,0,0,0|2,0,0]=3 2060 B12R0.248 CCCCOCCCNC(=O)CC 240690a_200000211371_100000210414 [0,0,1,0,0,0|2,0,0]=3 2061 B12R0.248 CCCCOCCCNC(=O)CC 527a_200000211371_100000210414 [0,0,1,0,0,0|2,0,0]=3 2062 B12R0.248 CCCCOCCCNC(=O)CO 240690a_200000211371_100000210174 [0,0,1,0,0,0|3,0,0]=4 2063 B12R0.248 CCCCOCCCNC(=O)CO 527a_200000211371_100000210174 [0,0,1,0,0,0|3,0,0]=4 2064 B12R0.248 CCCCOCCCNC(=O)NC 2708a_100102657272_200000211371 [0,0,1,0,0,0|3,0,0]=4 2065 B12R0.248 CCCCOCCCNC(=O)NC 2708a_200000211371_106832991635 [0,0,1,0,0,0|3,0,0]=4 2066 B12R0.248 CCCCOCCCNC(=O)NC 273464a_100102657272_200000211371 [0,0,1,0,0,0|3,0,0]=4 2067 B12R0.248 CCCCOCCCNC(=O)NC 273464a_200000211371_100102657272 [0,0,1,0,0,0|3,0,0]=4 2068 B12R0.248 CCCCOCCCNC(=O)NC 512a_106832991638_200000211371 [0,0,1,0,0,0|3,0,0]=4 2069 B12R0.248 CCCCOCCCNC(=O)NC 512a_200000211371_100102657272 [0,0,1,0,0,0|3,0,0]=4 2070 B12R0.248 CCCCOCCCOC(C)CC 34a_200011215613_100011215416 [0,0,1,0,0,0|2,0,1]=4 2071 B12R0.248 CCCCOCCCOC(C)CC 7a_200011215613_100000758301 [0,0,1,0,0,0|2,0,1]=4 2072 B12R0.248 CCCCOCCOCC(=O)CC 1458a_100011216887_100000210202 [0,0,1,0,0,0|3,0,0]=4 2073 B12R0.248 CCCCOCCOCC(=O)CC 34a_100000725409_100000743108 [0,0,1,0,0,0|3,0,0]=4 2074 B12R0.248 CCCCOCCOCC(=O)CC 7a_100000210238_100000747405 [0,0,1,0,0,0|3,0,0]=4 2075 B12R0.248 CCCCOCCSCC(=O)CC 62a_100000743108_100000747405 [0,0,1,0,0,0|3,0,0]=4 2076 B12R0.248 CCCCOCCSCC(=O)CC 62a_100000747405_100000743108 [0,0,1,0,0,0|3,0,0]=4 2077 B12R0.248 CCCCOCSCOC(=O)OC 62a_100011995733_100000139417 [0,0,1,0,0,0|3,0,0]=4 2078 B12R0.248 CCCCSCCCCC(=O)OC 62a_100000204269_100000210210 [0,0,1,0,0,0|3,0,0]=4 2079 B12R0.248 CCCCSCCCCC(=O)OC 62a_100000210211_100000204269 [0,0,1,0,0,0|3,0,0]=4 2080 B12R0.248 CCCCSCCOCC(=O)CC 7a_200000230436_100000747405 [0,0,1,0,0,0|3,0,0]=4 2081 B12R0.248 CCCOCCCCCC(=O)OC 34a_100000074720_100000210303 [0,0,1,0,0,0|3,0,0]=4 2082 B12R0.248 CCCOCCCCCC(=O)OC 34a_100000210258_100009816466 [0,0,1,0,0,0|3,0,0]=4 2083 B12R0.248 CCCOCCCCCC(=O)OC 7a_100000074720_100000210303 [0,0,1,0,0,0|3,0,0]=4 2084 B12R0.248 CCCOCCSCOC(=O)OC 62a_100011215938_100000139417 [0,0,1,0,0,0|3,0,0]=4 2085 B12R0.248 CCCSCCCCCC(=O)OC 62a_100000210303_100009816466 [0,0,1,0,0,0|3,0,0]=4 2086 B12R0.248 CCCSCCCCCC(=O)OC 62a_100009816466_100000210303 [0,0,1,0,0,0|3,0,0]=4 2087 B12R0.248 CCNCCCCCCC(=O)OC 2230a_100015525214_100009815986 [0,0,1,0,0,0|3,0,0]=4 2088 B12R0.248 CCOCCCCCCC(=O)OC 34a_100009863599_100000210202 [0,0,1,0,0,0|3,0,0]=4 2089 B12R0.248 CCOCCCCCCC(=O)OC 34a_100121572206_100009815986 [0,0,1,0,0,0|3,0,0]=4 2090 B12R0.248 CCOCCCCCCC(=O)OC 7a_100009863599_100000210202 [0,0,1,0,0,0|3,0,0]=4 2091 B12R0.248 CCOCCCSCOC(=O)OC 62a_100012232248_100000139417 [0,0,1,0,0,0|3,0,0]=4 2092 B12R0.248 CCOCCNCCNC(=O)CC 34a_100132302217_100000210147 [0,0,1,0,0,0|3,0,0]=4 2093 B12R0.248 CCOCCNCCOC(=O)NC 34a_102516460346_200011997002 [0,0,1,0,0,0|3,0,0]=4 2094 B12R0.248 CCOCCOCCNC(=O)CC 11a_100102712874_100000210414 [0,0,1,0,0,0|3,0,0]=4 2095 B12R0.248 CCOCCOCCNC(=O)CC 1626a_100102712874_100000210414 [0,0,1,0,0,0|3,0,0]=4 2096 B12R0.248 CCOCCOCCNC(=O)CC 240690a_100102712874_100000210414 [0,0,1,0,0,0|3,0,0]=4 2097 B12R0.248 CCOCCOCCNC(=O)CC 34a_200000158885_100000210147 [0,0,1,0,0,0|3,0,0]=4 2098 B12R0.248 CCOCCOCCNC(=O)CC 527a_100102712874_100000210414 [0,0,1,0,0,0|3,0,0]=4 2099 B12R0.248 CCOCCOCCNC(=O)CC 7a_200000158885_100011215890 [0,0,1,0,0,0|3,0,0]=4 2100 B12R0.248 CCOCCOCCOC(=O)CC 7a_200000031056_100011215890 [0,0,1,0,0,0|2,0,0]=3 2101 B12R0.248 CCOCCOCCOC(=O)NC 34a_100000210136_200011997002 [0,0,1,0,0,0|3,0,0]=4 2102 B12R0.248 CCOCCOCCOC(=O)NC 7a_100000210136_200011997002 [0,0,1,0,0,0|3,0,0]=4 2103 B12R0.248 CCOCCOCCOC(=O)OC 34a_100010262106_100000210147 [0,0,1,0,0,0|3,0,0]=4 2104 B12R0.248 CCOCCSCCOC(=O)NC 62a_100000210147_200011997002 [0,0,1,0,0,0|3,0,0]=4 2105 B12R0.248 CCOCCSCCOC(=O)NC 62a_200011997002_100011215890 [0,0,1,0,0,0|3,0,0]=4 2106 B12R0.248 CCSCCCCCCC(=O)OC 62a_100000210202_100009815986 [0,0,1,0,0,0|3,0,0]=4 2107 B12R0.248 CCSCCCCCCC(=O)OC 62a_100009815986_100000210202 [0,0,1,0,0,0|3,0,0]=4 2108 B12R0.248 CCSCCNCCNC(=O)CC 34a_100132302217_100000757381 [0,0,1,0,0,0|3,0,0]=4 2109 B12R0.248 CCSCCOCCNC(=O)CC 34a_200000158885_100000757381 [0,0,1,0,0,0|3,0,0]=4 2110 B12R0.248 CCSCCOCCNC(=O)CC 7a_200000158885_100000757381 [0,0,1,0,0,0|3,0,0]=4 2111 B12R0.248 CCSCCOCCOC(=O)CC 7a_200000031056_100000757381 [0,0,1,0,0,0|2,0,0]=3 2112 B12R0.248 CCSCCOCCOC(=O)NC 34a_100000212035_200011997002 [0,0,1,0,0,0|3,0,0]=4 2113 B12R0.248 CCSCCOCCOC(=O)NC 7a_100000212035_200011997002 [0,0,1,0,0,0|3,0,0]=4 2114 B12R0.248 CCSCCOCCOC(=O)OC 34a_100010262106_100000757381 [0,0,1,0,0,0|3,0,0]=4 2115 B12R0.248 CCSCCSCCOC(=O)NC 62a_100000757381_200011997002 [0,0,1,0,0,0|3,0,0]=4 2116 B12R0.248 CCSCCSCCOC(=O)NC 62a_200011997002_100000757381 [0,0,1,0,0,0|3,0,0]=4 2117 B12R0.248 CNC(=O)CCCCCCCCO 240690a_100102657272_100000015970 [0,0,1,0,0,0|3,0,0]=4 2118 B12R0.248 CNC(=O)NCCCCCCCO 2708a_100011996573_106832991635 [0,0,1,0,0,0|3,0,0]=4 2119 B12R0.248 CNC(=O)NCCCCCCCO 2708a_100102657272_100011996573 [0,0,1,0,0,0|3,0,0]=4 2120 B12R0.248 CNC(=O)NCCCCCCCO 273464a_100011996573_100102657272 [0,0,1,0,0,0|3,0,0]=4 2121 B12R0.248 CNC(=O)NCCCCCCCO 273464a_100102657272_100011996573 [0,0,1,0,0,0|3,0,0]=4 2122 B12R0.248 CNC(=O)NCCCCCCCO 512a_100011996573_100102657272 [0,0,1,0,0,0|3,0,0]=4 2123 B12R0.248 CNC(=O)NCCCCCCCO 512a_106832991638_100011996573 [0,0,1,0,0,0|3,0,0]=4 2124 B12R0.248 CNC(=O)OCCNCCCCO 34a_100000750430_200011997002 [0,0,1,0,0,0|3,0,0]=4 2125 B12R0.248 CNC(=O)OCCNCCCOC 34a_100150723488_200011997002 [0,0,1,0,0,0|3,0,0]=4 2126 B12R0.248 CNC(=O)OCCOCCCCBr 34a_100011216708_200011997002 [0,0,1,0,0,0|3,0,0]=4 2127 B12R0.248 CNC(=O)OCCOCCCCCl 34a_100000210776_200011997002 [0,0,1,0,0,0|3,0,0]=4 2128 B12R0.248 CNC(=O)OCCOCCCCCl 7a_100000210776_200011997002 [0,0,1,0,0,0|3,0,0]=4 2129 B12R0.248 CNC(=O)OCCOCCCCF 34a_100011995726_200011997002 [0,0,1,0,0,0|3,0,0]=4 2130 B12R0.248 CNC(=O)OCCOCCCCF 7a_100011995726_200011997002 [0,0,1,0,0,0|3,0,0]=4 2131 B12R0.248 CNC(=O)OCCOCCCCI 34a_200012148704_200011997002 [0,0,1,0,0,0|3,0,0]=4 2132 B12R0.248 CNC(=O)OCCOCCCCN 34a_100000750430_200011997002 [0,0,1,0,0,0|3,0,0]=4 2133 B12R0.248 CNC(=O)OCCOCCCOC 34a_100000740835_200011997002 [0,0,1,0,0,0|3,0,0]=4 2134 B12R0.248 CNC(=O)OCCOCCCSC 34a_100000690336_200011997002 [0,0,1,0,0,0|3,0,0]=4 2135 B12R0.248 CNC(=O)OCCOCCCSC 7a_100000690336_200011997002 [0,0,1,0,0,0|3,0,0]=4 2136 B12R0.248 CNC(=O)OCCSCCCCF 62a_100000729493_200011997002 [0,0,1,0,0,0|3,0,0]=4 2137 B12R0.248 CNC(=O)OCCSCCCCF 62a_200011997002_100000729493 [0,0,1,0,0,0|3,0,0]=4 2138 B12R0.248 CNC(=O)OCCSCCCCO 62a_100000210776_200011997002 [0,0,1,0,0,0|3,0,0]=4 2139 B12R0.248 CNC(=O)OCCSCCCCO 62a_200011997002_100000210776 [0,0,1,0,0,0|3,0,0]=4 2140 B12R0.248 CNC(=O)OCCSCCCOC 62a_100000709357_200011997002 [0,0,1,0,0,0|3,0,0]=4 2141 B12R0.248 CNC(=O)OCCSCCCOC 62a_200011997002_100000709357 [0,0,1,0,0,0|3,0,0]=4 2142 B12R0.248 CNCCCCCCCC(=O)OC 2230a_106832991635_100010004213 [0,0,1,0,0,0|3,0,0]=4 2143 B12R0.248 CNCCCCCCCC(=O)OC 34a_100102657272_100010004213 [0,0,1,0,0,0|3,0,0]=4 2144 B12R0.248 CNCCCCCCCC(=O)OC 7a_106832991635_100010004213 [0,0,1,0,0,0|3,0,0]=4 2145 B12R0.248 CNCCCOCCOC(=O)NC 34a_100000213112_200011997002 [0,0,1,0,0,0|3,0,0]=4 2146 B12R0.248 COC(=O)CCCCCCCO[13CH3] 34a_100011022521_200025704644 [0,0,1,0,0,0|3,0,0]=4 2147 B12R0.248 COC(=O)CCCCCCCO[13CH3] 7a_100011022521_200025704644 [0,0,1,0,0,0|3,0,0]=4 2148 B12R0.248 COC(=O)CCCCCCCSC 62a_100010004213_200000210301 [0,0,1,0,0,0|3,0,0]=4 2149 B12R0.248 COC(=O)CCCCCCCSC 62a_200000210301_100010004213 [0,0,1,0,0,0|3,0,0]=4 2150 B12R0.248 COC(=O)CCCCCCCS[13CH3] 62a_100010004213_200025704644 [0,0,1,0,0,0|3,0,0]=4 2151 B12R0.248 COC(=O)CCCCCCCS[13CH3] 62a_200025704644_100010004213 [0,0,1,0,0,0|3,0,0]=4 2152 B12R0.248 COC(=O)OCCOCCCCF 34a_100010262106_100000729493 [0,0,1,0,0,0|3,0,0]=4 2153 B12R0.248 COC(=O)OCCOCCCCO 34a_100010262106_100011216708 [0,0,1,0,0,0|3,0,0]=4 2154 B12R0.248 COC(=O)OCSCCCCCF 62a_100000729378_100000139417 [0,0,1,0,0,0|3,0,0]=4 2155 B12R0.248 COC(=O)OCSCCCCCO 62a_100000746330_100000139417 [0,0,1,0,0,0|3,0,0]=4 2156 B12R0.248 COCCCCCCCC(=O)OC 34a_100011022521_200000210301 [0,0,1,0,0,0|3,0,0]=4 2157 B12R0.248 COCCCCCCCC(=O)OC 34a_100138415774_100010004213 [0,0,1,0,0,0|3,0,0]=4 2158 B12R0.248 COCCCCCCCC(=O)OC 7a_100011022521_200000210301 [0,0,1,0,0,0|3,0,0]=4 2159 B12R0.248 COCCCCSCOC(=O)OC 62a_100000730899_100000139417 [0,0,1,0,0,0|3,0,0]=4 2160 B12R0.248 COCCCOCCOC(=O)OC 34a_100010262106_100000740836 [0,0,1,0,0,0|3,0,0]=4 2161 B12R0.248 O=C(CO)CCCCCCCCO 1458a_100000210174_100000033203 [0,0,1,0,0,0|3,0,0]=4 2162 B12R0.248 O=C(CO)NCCCCCCCO 240690a_100011996573_100000210174 [0,0,1,0,0,0|3,0,0]=4 2163 B14R2.19 O=C1CC(CN1)OC2CCCCC2 34a_100000690082_100000210327 [0,0,0,1,0,0|3,0,0]=4 2164 B14R2.19 O=C1CCC(C1)OC2CCCCC2 34a_100012614533_100000210327 [0,0,0,1,0,0|2,0,0]=3 2165 B14R2.19 O=C1CCC(C1)OC2CCCOC2 34a_100012614533_100000693364 [0,0,0,1,0,0|3,0,0]=4 2166 B14R2.19 O=C1CCC(C1)OC2CCSCC2 34a_100012614533_100000069128 [0,0,0,1,0,0|3,0,0]=4 2167 B14R2.19 O=C1CC[C@H](N1)CN2CCCOC2 2230a_100000131196_100015189358 [0,0,0,1,0,0|3,0,0]=4 2168 B14R2.19 O=C1CC[C@H](N1)CN2CCCOC2 269982a_100000131196_100015189358 [0,0,0,1,0,0|3,0,0]=4 2169 B14R2.19 O=C1CC[C@H](N1)CN2CCOCC2 2230a_100015191051_100015189358 [0,0,0,1,0,0|3,0,0]=4 2170 B14R2.19 O=C1CC[C@H](N1)CN2CCOCC2 269982a_100015191051_100015189358 [0,0,0,1,0,0|3,0,0]=4 2171 B14R2.19 O=C1CC[C@H](N1)CN2CCSCC2 2230a_100000737611_100015189358 [0,0,0,1,0,0|3,0,0]=4 2172 B14R2.19 O=C1CC[C@H](N1)CN2CCSCC2 269982a_100000737611_100015189358 [0,0,0,1,0,0|3,0,0]=4 2173 B14R2.19 O=C1CN(CN1)CC2CCCCC2 2230a_200000708111_100000211423 [0,0,0,1,0,0|3,0,0]=4 2174 B14R2.19 O=C1NCC(O1)CN2CCCOC2 2230a_100000131196_100000181169 [0,0,0,1,0,0|3,0,0]=4 2175 B14R2.19 O=C1NCC(O1)CN2CCCOC2 269982a_100000131196_100000181169 [0,0,0,1,0,0|3,0,0]=4 2176 B14R2.19 O=C1NCC(O1)CN2CCCOC2 34a_100000131196_100000181169 [0,0,0,1,0,0|3,0,0]=4 2177 B14R2.19 O=C1NCC(O1)CN2CCOCC2 2230a_100015191051_100000181169 [0,0,0,1,0,0|3,0,0]=4 2178 B14R2.19 O=C1NCC(O1)CN2CCOCC2 269982a_100015191051_100000181169 [0,0,0,1,0,0|3,0,0]=4 2179 B14R2.19 O=C1NCC(O1)CN2CCOCC2 34a_100015191051_100000181169 [0,0,0,1,0,0|3,0,0]=4 2180 B14R2.19 O=C1NCC(O1)CN2CCSCC2 2230a_100000737611_100000181169 [0,0,0,1,0,0|3,0,0]=4 2181 B14R2.19 O=C1NCC(O1)CN2CCSCC2 269982a_100000737611_100000181169 [0,0,0,1,0,0|3,0,0]=4 2182 B14R2.19 O=C1OCC(O1)CN2CCCOC2 269982a_100000131196_100000073702 [0,0,0,1,0,0|3,0,0]=4 2183 B14R2.19 O=C1OCC(O1)CN2CCCOC2 34a_100000131196_100000073702 [0,0,0,1,0,0|3,0,0]=4 2184 B14R2.19 O=C1OCC(O1)CN2CCOCC2 269982a_100015191051_100000073702 [0,0,0,1,0,0|3,0,0]=4 2185 B14R2.19 O=C1OCC(O1)CN2CCOCC2 34a_100015191051_100000073702 [0,0,0,1,0,0|3,0,0]=4 2186 B14R2.19 O=C1OCC(O1)CN2CCSCC2 269982a_100000737611_100000073702 [0,0,0,1,0,0|3,0,0]=4 2187 B14R2.19 O=C1OCC(O1)NC2CCCCC2 34a_100000182618_100000032252 [0,0,0,1,0,0|2,0,0]=3 2188 B14R2.19 O=C1OCC(O1)NC2CCCOC2 34a_100000719290_100000032252 [0,0,0,1,0,0|3,0,0]=4 2189 B14R2.19 O=C1OCC(O1)NC2CCOCC2 34a_100000741149_100000032252 [0,0,0,1,0,0|3,0,0]=4 2190 B14R2.19 O=C1OCC(O1)NC2CCSCC2 34a_100000748639_100000032252 [0,0,0,1,0,0|3,0,0]=4 2191 B14R2.19 O=C1OCC(O1)OC2CCCCC2 34a_100000210231_100000032252 [0,0,0,1,0,0|2,0,0]=3 2192 B14R2.19 O=C1OCC(O1)OC2CCCCO2 34a_100000033831_100000032252 [0,0,0,1,0,0|3,0,0]=4 2193 B14R2.19 O=C1OCC(O1)OC2CCCOC2 34a_100000754041_100000032252 [0,0,0,1,0,0|3,0,0]=4 2194 B14R2.19 O=C1OCC(O1)OC2CCOCC2 34a_100000744328_100000032252 [0,0,0,1,0,0|3,0,0]=4 2195 B14R2.19 O=C1OCC(O1)OC2CCSCC2 34a_100000731022_100000032252 [0,0,0,1,0,0|3,0,0]=4 2196 B14R2.19 O=C1OCC(O1)SC2CCCCC2 62a_100000210327_100000032252 [0,0,0,1,0,0|2,0,0]=3 2197 B14R2.97 CCC1CCCN1C2COC(=O)O2 34a_100000754278_100000032252 [0,0,0,1,0,0|2,0,0]=3 2198 B14R2.97 O=C1OCC(O1)N2CCC[C@@H]2CO 34a_100000745186_100000032252 [0,0,0,1,0,0|3,0,0]=4 2199 B14R2.107 COCC1CCN1C2COC(=O)O2 34a_100015195929_100000032252 [0,0,0,1,0,0|3,0,0]=4 2200 B14R2.145 CCCCCN1CC2CCC(C1)O2 2230a_100015188616_100000210326 [0,0,0,1,0,0|2,0,1]=4 2201 B14R2.145 CCCCCN1CC2CCC(C1)O2 269982a_100015188616_100000210215 [0,0,0,1,0,0|2,0,1]=4 2202 B14R2.145 CCCCCN1CC2CCC(C1)O2 34a_100015188616_100000718602 [0,0,0,1,0,0|2,0,1]=4 2203 B14R2.145 CCCCNC1CC2CCC(C1)O2 270004a_100000102301_100010474450 [0,0,0,1,0,0|2,0,1]=4 2204 B14R2.251 CC1CCN1CCC2COS(=O)O2 269982a_100000755817_100009840081 [0,0,0,1,0,0|3,0,0]=4 2205 B14R2.252 O=C1CC(CN1)CNC2CCCC2 2230a_100016993742_100000179811 [0,0,0,1,0,0|3,0,0]=4 2206 B14R2.252 O=C1CC(CN1)CNC2CCCC2 34a_100016993742_100000179811 [0,0,0,1,0,0|3,0,0]=4 2207 B14R2.252 O=C1CC(CN1)COC2CCCC2 34a_100016041077_100000179811 [0,0,0,1,0,0|3,0,0]=4 2208 B14R2.252 O=C1CC(CN1)NCC2CCCC2 2230a_100000697751_100000740388 [0,0,0,1,0,0|3,0,0]=4 2209 B14R2.252 O=C1CC(CN1)NCC2CCCC2 269862a_100000697751_100000746403 [0,0,0,1,0,0|3,0,0]=4 2210 B14R2.252 O=C1CC(CN1)OCC2CCCC2 34a_100000690082_100000740388 [0,0,0,1,0,0|3,0,0]=4 2211 B14R2.252 O=C1CCC(C1)OCC2CCCC2 34a_100012614533_100000740388 [0,0,0,1,0,0|2,0,0]=3 2212 B14R2.252 O=C1CCC(C1)OCC2CCOC2 34a_100012614533_100011261433 [0,0,0,1,0,0|3,0,0]=4 2213 B14R2.252 O=C1CCC(N1)COC2CCCC2 34a_100000737831_100000179811 [0,0,0,1,0,0|2,0,0]=3 2214 B14R2.252 O=C1CCC(N1)COC2CCOC2 34a_100000737831_100000690089 [0,0,0,1,0,0|3,0,0]=4 2215 B14R2.252 O=C1CC[C@@H](N1)CNC2CCCC2 2230a_100015423886_100000179811 [0,0,0,1,0,0|2,0,0]=3 2216 B14R2.252 O=C1CC[C@@H](N1)CNC2CCCC2 270004a_100015423886_100000210133 [0,0,0,1,0,0|2,0,0]=3 2217 B14R2.252 O=C1CC[C@@H](N1)CNC2CCCC2 34a_100015423886_100000179811 [0,0,0,1,0,0|2,0,0]=3 2218 B14R2.252 O=C1CC[C@@H](N1)CNC2CCOC2 2230a_100015423886_100000731011 [0,0,0,1,0,0|3,0,0]=4 2219 B14R2.252 O=C1CC[C@@H](N1)CNC2CCOC2 270004a_100015423886_100000752484 [0,0,0,1,0,0|3,0,0]=4 2220 B14R2.252 O=C1CC[C@@H](N1)CNC2CCOC2 34a_100015423886_100000690089 [0,0,0,1,0,0|3,0,0]=4 2221 B14R2.252 O=C1CC[C@@H](N1)CNC2CCSC2 270004a_100015423886_100000212027 [0,0,0,1,0,0|3,0,0]=4 2222 B14R2.252 O=C1CC[C@H](N1)CNC2CCCC2 2230a_100000211070_100015189358 [0,0,0,1,0,0|2,0,0]=3 2223 B14R2.252 O=C1CC[C@H](N1)CN[C@@H]2CCOC2 2230a_200015188469_100015189358 [0,0,0,1,0,0|3,0,0]=4 2224 B14R2.252 O=C1CC[C@H](N1)CN[C@H]2CCOC2 2230a_100015188467_100015189358 [0,0,0,1,0,0|3,0,0]=4 2225 B14R2.252 O=C1CC[C@H](N1)COC2CCCC2 7a_100000210269_100015189358 [0,0,0,1,0,0|2,0,0]=3 2226 B14R2.252 O=C1CC[C@H](N1)COC2CCSC2 7a_100011232664_100015189358 [0,0,0,1,0,0|3,0,0]=4 2227 B14R2.252 O=C1CC[C@H](N1)CSC2CCCC2 62a_100011217020_100015189358 [0,0,0,1,0,0|2,0,0]=3 2228 B14R2.252 O=C1CC[C@H](N1)CSC2CCCC2 62a_100015189358_100000179811 [0,0,0,1,0,0|2,0,0]=3 2229 B14R2.252 O=C1CC[C@H](N1)CSC2CCOC2 62a_100015189358_100000690089 [0,0,0,1,0,0|3,0,0]=4 2230 B14R2.252 O=C1CN(CN1)CCC2CCCC2 2230a_200000708111_100000760354 [0,0,0,1,0,0|3,0,0]=4 2231 B14R2.252 O=C1NCC(O1)CNC2CCCC2 2230a_100000211070_100000181169 [0,0,0,1,0,0|2,0,0]=3 2232 B14R2.252 O=C1NCC(O1)CNC2CCCC2 34a_100000211070_100000181169 [0,0,0,1,0,0|2,0,0]=3 2233 B14R2.252 O=C1NCC(O1)CN[C@@H]2CCOC2 2230a_200015188469_100000181169 [0,0,0,1,0,0|3,0,0]=4 2234 B14R2.252 O=C1NCC(O1)CN[C@H]2CCOC2 2230a_100015188467_100000181169 [0,0,0,1,0,0|3,0,0]=4 2235 B14R2.252 O=C1NCC(O1)CN[C@H]2CCOC2 34a_100015188467_100000181169 [0,0,0,1,0,0|3,0,0]=4 2236 B14R2.252 O=C1NCC(O1)COC2CCCC2 34a_100000210269_100000181169 [0,0,0,1,0,0|2,0,0]=3 2237 B14R2.252 O=C1NCC(O1)COC2CCCC2 34a_100011315639_100000179811 [0,0,0,1,0,0|2,0,0]=3 2238 B14R2.252 O=C1NCC(O1)COC2CCCC2 7a_100000210269_100000181169 [0,0,0,1,0,0|2,0,0]=3 2239 B14R2.252 O=C1NCC(O1)COC2CCCO2 34a_100000085407_100000181169 [0,0,0,1,0,0|3,0,0]=4 2240 B14R2.252 O=C1NCC(O1)COC2CCOC2 34a_100011315639_100000690089 [0,0,0,1,0,0|3,0,0]=4 2241 B14R2.252 O=C1NCC(O1)COC2CCSC2 7a_100011232664_100000181169 [0,0,0,1,0,0|3,0,0]=4 2242 B14R2.252 O=C1NCC(O1)CO[C@H]2CCOC2 34a_100000717292_100000181169 [0,0,0,1,0,0|3,0,0]=4 2243 B14R2.252 O=C1NCC(O1)CSC2CCCC2 62a_100000181169_100000179811 [0,0,0,1,0,0|2,0,0]=3 2244 B14R2.252 O=C1NCC(O1)CSC2CCCC2 62a_100011217020_100000181169 [0,0,0,1,0,0|2,0,0]=3 2245 B14R2.252 O=C1NCC(O1)CSC2CCOC2 62a_100000181169_100000690089 [0,0,0,1,0,0|3,0,0]=4 2246 B14R2.252 O=C1N[C@H](CO1)CNC2CCCC2 2230a_100000211070_100015307671 [0,0,0,1,0,0|3,0,0]=4 2247 B14R2.252 O=C1N[C@H](CO1)CNC2CCCC2 34a_100000211070_100015307671 [0,0,0,1,0,0|3,0,0]=4 2248 B14R2.252 O=C1N[C@H](CO1)COC2CCCC2 34a_100000210269_100015307671 [0,0,0,1,0,0|3,0,0]=4 2249 B14R2.252 O=C1N[C@H](CO1)COC2CCCC2 7a_100000210269_100015307671 [0,0,0,1,0,0|3,0,0]=4 2250 B14R2.252 O=C1N[C@H](CO1)CSC2CCCC2 62a_100011217020_100015307671 [0,0,0,1,0,0|3,0,0]=4 2251 B14R2.252 O=C1N[C@H](CO1)CSC2CCCC2 62a_100015307671_100000179811 [0,0,0,1,0,0|3,0,0]=4 2252 B14R2.252 O=C1OCC(O1)CNC2CCCC2 34a_100000211070_100000073702 [0,0,0,1,0,0|2,0,0]=3 2253 B14R2.252 O=C1OCC(O1)CN[C@H]2CCOC2 34a_100015188467_100000073702 [0,0,0,1,0,0|3,0,0]=4 2254 B14R2.252 O=C1OCC(O1)COC2CCCC2 34a_100000210269_100000073702 [0,0,0,1,0,0|2,0,0]=3 2255 B14R2.252 O=C1OCC(O1)COC2CCCO2 34a_100000085407_100000073702 [0,0,0,1,0,0|3,0,0]=4 2256 B14R2.252 O=C1OCC(O1)CO[C@H]2CCOC2 34a_100000717292_100000073702 [0,0,0,1,0,0|3,0,0]=4 2257 B14R2.252 O=C1OCC(O1)CSC2CCCC2 62a_100000073702_100000179811 [0,0,0,1,0,0|2,0,0]=3 2258 B14R2.252 O=C1OCC(O1)CSC2CCCC2 62a_100011217020_100000073702 [0,0,0,1,0,0|2,0,0]=3 2259 B14R2.252 O=C1OCC(O1)CSC2CCOC2 62a_100000073702_100000690089 [0,0,0,1,0,0|3,0,0]=4 2260 B14R2.252 O=C1OCC(O1)NCC2CCCC2 34a_100000737975_100000032252 [0,0,0,1,0,0|2,0,0]=3 2261 B14R2.252 O=C1OCC(O1)NCC2CCOC2 34a_100000737293_100000032252 [0,0,0,1,0,0|3,0,0]=4 2262 B14R2.252 O=C1OCC(O1)NC[C@@H]2CCCO2 34a_100020590478_100000032252 [0,0,0,1,0,0|3,0,0]=4 2263 B14R2.252 O=C1OCC(O1)OCC2CCCC2 34a_100000742336_100000032252 [0,0,0,1,0,0|2,0,0]=3 2264 B14R2.252 O=C1OCC(O1)OCC2CCCO2 34a_100000210270_100000032252 [0,0,0,1,0,0|3,0,0]=4 2265 B14R2.252 O=C1OCC(O1)OCC2CCNC2 34a_100000748654_100000032252 [0,0,0,1,0,0|3,0,0]=4 2266 B14R2.252 O=C1OCC(O1)OCC2CCOC2 34a_100000740260_100000032252 [0,0,0,1,0,0|3,0,0]=4 2267 B14R2.252 O=C1OCC(O1)OC[C@H]2CCCN2 34a_100000745186_100000032252 [0,0,0,1,0,0|3,0,0]=4 2268 B14R2.252 O=C1OCC(O1)SCC2CCCC2 62a_100000740388_100000032252 [0,0,0,1,0,0|2,0,0]=3 2269 B14R2.252 O=C1OCC(O1)SCC2CCCO2 62a_100000203698_100000032252 [0,0,0,1,0,0|3,0,0]=4 2270 B14R2.252 O=C1OCC(O1)SCC2CCOC2 62a_100000702531_100000032252 [0,0,0,1,0,0|3,0,0]=4 2271 B14R2.252 O=S1OCC(O1)CCN2CCCC2 269982a_100000188435_100009840081 [0,0,0,1,0,0|3,0,0]=4 2272 B14R2.256 CC1CCCCN1C2COC(=O)O2 34a_100000211376_100000032252 [0,0,0,1,0,0|2,0,0]=3 2273 B14R2.256 C[C@H]1COCCN1C2COC(=O)O2 34a_100009815349_100000032252 [0,0,0,1,0,0|3,0,0]=4 2274 B14R2.257 CC1CC1COCC2CNC(=O)O2 34a_100000744939_100000181169 [0,0,0,1,0,0|2,0,0]=3 2275 B14R2.257 CC1CC1COCC2CNC(=O)O2 7a_100000744939_100000181169 [0,0,0,1,0,0|2,0,0]=3 2276 B14R2.257 CC1CC1COCC2COC(=O)O2 34a_100000744939_100000073702 [0,0,0,1,0,0|2,0,0]=3 2277 B14R2.257 CC1CC1COC[C@@H]2CCC(=O)N2 7a_100000744939_100015189358 [0,0,0,1,0,0|2,0,0]=3 2278 B14R2.257 CC1CC1COC[C@H]2COC(=O)N2 34a_100000744939_100015307671 [0,0,0,1,0,0|3,0,0]=4 2279 B14R2.257 CC1CC1COC[C@H]2COC(=O)N2 7a_100000744939_100015307671 [0,0,0,1,0,0|3,0,0]=4 2280 B14R2.259 CC1CCCC1NC2CNC(=O)C2 269862a_100000697751_100000752053 [0,0,0,1,0,0|3,0,0]=4 2281 B14R2.259 CC1CCCC1OC2COC(=O)O2 34a_100011216460_100000032252 [0,0,0,1,0,0|2,0,0]=3 2282 B14R2.259 CC1SCCN1CC2CNC(=O)O2 2230a_200011216479_100000181169 [0,0,0,1,0,0|3,0,0]=4 2283 B14R2.259 CC1SCCN1CC2CNC(=O)O2 269982a_200011216479_100000181169 [0,0,0,1,0,0|3,0,0]=4 2284 B14R2.259 CC1SCCN1CC2CNC(=O)O2 34a_200011216479_100000181169 [0,0,0,1,0,0|3,0,0]=4 2285 B14R2.259 CC1SCCN1CC2COC(=O)O2 269982a_200011216479_100000073702 [0,0,0,1,0,0|3,0,0]=4 2286 B14R2.259 CC1SCCN1CC2COC(=O)O2 34a_200011216479_100000073702 [0,0,0,1,0,0|3,0,0]=4 2287 B14R2.259 CC1SCCN1C[C@@H]2CCC(=O)N2 2230a_200011216479_100015189358 [0,0,0,1,0,0|3,0,0]=4 2288 B14R2.259 CC1SCCN1C[C@@H]2CCC(=O)N2 269982a_200011216479_100015189358 [0,0,0,1,0,0|3,0,0]=4 2289 B14R2.259 C[C@@H]1CCCN1CC2CNC(=O)O2 2230a_100015189458_100000181169 [0,0,0,1,0,0|2,0,0]=3 2290 B14R2.259 C[C@@H]1CCCN1CC2CNC(=O)O2 269982a_100015189458_100000181169 [0,0,0,1,0,0|2,0,0]=3 2291 B14R2.259 C[C@@H]1CCCN1CC2CNC(=O)O2 34a_100015189458_100000181169 [0,0,0,1,0,0|2,0,0]=3 2292 B14R2.259 C[C@@H]1CCCN1CC2COC(=O)O2 269982a_100015189458_100000073702 [0,0,0,1,0,0|2,0,0]=3 2293 B14R2.259 C[C@@H]1CCCN1CC2COC(=O)O2 34a_100015189458_100000073702 [0,0,0,1,0,0|2,0,0]=3 2294 B14R2.259 C[C@@H]1CCCN1C[C@@H]2CCC(=O)N2 2230a_100015189458_100015189358 [0,0,0,1,0,0|2,0,0]=3 2295 B14R2.259 C[C@@H]1CCCN1C[C@@H]2CCC(=O)N2 269982a_100015189458_100015189358 [0,0,0,1,0,0|2,0,0]=3 2296 B14R2.259 C[C@@H]1CCCN1C[C@H]2COC(=O)N2 2230a_100015189458_100015307671 [0,0,0,1,0,0|3,0,0]=4 2297 B14R2.259 C[C@@H]1CCCN1C[C@H]2COC(=O)N2 269982a_100015189458_100015307671 [0,0,0,1,0,0|3,0,0]=4 2298 B14R2.259 C[C@@H]1CCCN1C[C@H]2COC(=O)N2 34a_100015189458_100015307671 [0,0,0,1,0,0|3,0,0]=4 2299 B14R2.259 C[C@@H]1CNC[C@@H]1OC2COC(=O)O2 34a_200015306588_100000032252 [0,0,0,1,0,0|3,0,0]=4 2300 B14R2.259 C[C@H]1CCCN1CC2CNC(=O)O2 2230a_100020605311_100000181169 [0,0,0,1,0,0|2,0,0]=3 2301 B14R2.259 C[C@H]1CCCN1CC2CNC(=O)O2 269982a_100020605311_100000181169 [0,0,0,1,0,0|2,0,0]=3 2302 B14R2.259 C[C@H]1CCCN1CC2COC(=O)O2 269982a_100020605311_100000073702 [0,0,0,1,0,0|2,0,0]=3 2303 B14R2.259 C[C@H]1CCCN1C[C@@H]2CCC(=O)N2 2230a_100020605311_100015189358 [0,0,0,1,0,0|2,0,0]=3 2304 B14R2.259 C[C@H]1CCCN1C[C@@H]2CCC(=O)N2 269982a_100020605311_100015189358 [0,0,0,1,0,0|2,0,0]=3 2305 B14R2.259 C[C@H]1CCCN1C[C@H]2COC(=O)N2 2230a_100020605311_100015307671 [0,0,0,1,0,0|3,0,0]=4 2306 B14R2.259 C[C@H]1CCCN1C[C@H]2COC(=O)N2 269982a_100020605311_100015307671 [0,0,0,1,0,0|3,0,0]=4 2307 B14R2.259 N[C@H]1CCC[C@@H]1OC2COC(=O)O2 34a_100000748460_100000032252 [0,0,0,1,0,0|3,0,0]=4 2308 B14R2.259 O=C1OCC(O1)O[C@@H]2CCC[C@H]2Cl 34a_200016002552_100000032252 [0,0,0,1,0,0|3,0,0]=4 2309 B14R2.259 O=C1OCC(O1)S[C@@H]2CCC[C@H]2O 62a_200016002552_100000032252 [0,0,0,1,0,0|3,0,0]=4 2310 B14R2.4359 O=C1OCC(O1)N2CCCCCC2 34a_100000185865_100000032252 [0,0,0,1,0,0|2,0,0]=3 2311 B14R2.4359 O=C1OCC(O1)N2CCCOCC2 34a_100000685342_100000032252 [0,0,0,1,0,0|3,0,0]=4 2312 B14R2.4374 O=C1CC(CN1)CNCCC2CC2 2230a_100016993742_100000694398 [0,0,0,1,0,0|3,0,0]=4 2313 B14R2.4374 O=C1CC(CN1)CNCCC2CC2 34a_100016993742_100000694398 [0,0,0,1,0,0|3,0,0]=4 2314 B14R2.4374 O=C1CC(CN1)COCCC2CC2 34a_100016041077_100000694398 [0,0,0,1,0,0|3,0,0]=4 2315 B14R2.4374 O=C1CCC(C1)OCCCC2CO2 34a_100012614533_100000733510 [0,0,0,1,0,0|3,0,0]=4 2316 B14R2.4374 O=C1CCC(N1)COCCC2CC2 34a_100000737831_100000694398 [0,0,0,1,0,0|2,0,0]=3 2317 B14R2.4374 O=C1CCC(N1)COCCC2CO2 34a_100000737831_100000732470 [0,0,0,1,0,0|3,0,0]=4 2318 B14R2.4374 O=C1CC[C@@H](N1)CNCCC2CC2 2230a_100015423886_100000694398 [0,0,0,1,0,0|2,0,0]=3 2319 B14R2.4374 O=C1CC[C@@H](N1)CNCCC2CC2 34a_100015423886_100000694398 [0,0,0,1,0,0|2,0,0]=3 2320 B14R2.4374 O=C1CC[C@@H](N1)CNCCC2CO2 2230a_100015423886_100000732470 [0,0,0,1,0,0|3,0,0]=4 2321 B14R2.4374 O=C1CC[C@@H](N1)CNCCC2CO2 34a_100015423886_100000732470 [0,0,0,1,0,0|3,0,0]=4 2322 B14R2.4374 O=C1CC[C@H](N1)COCCC2CC2 7a_100000754188_100015189358 [0,0,0,1,0,0|2,0,0]=3 2323 B14R2.4374 O=C1CC[C@H](N1)CSCCC2CC2 62a_100000764125_100015189358 [0,0,0,1,0,0|2,0,0]=3 2324 B14R2.4374 O=C1CC[C@H](N1)CSCCC2CC2 62a_100015189358_100000764125 [0,0,0,1,0,0|2,0,0]=3 2325 B14R2.4374 O=C1CC[C@H](N1)CSCCC2CO2 62a_100000732470_100015189358 [0,0,0,1,0,0|3,0,0]=4 2326 B14R2.4374 O=C1CC[C@H](N1)CSCCC2CO2 62a_100015189358_100000732470 [0,0,0,1,0,0|3,0,0]=4 2327 B14R2.4374 O=C1NCC(O1)CNCCC2CC2 34a_100000764129_100000181169 [0,0,0,1,0,0|2,0,0]=3 2328 B14R2.4374 O=C1NCC(O1)COCCC2CC2 34a_100000754188_100000181169 [0,0,0,1,0,0|2,0,0]=3 2329 B14R2.4374 O=C1NCC(O1)COCCC2CC2 34a_100011315639_100000694398 [0,0,0,1,0,0|2,0,0]=3 2330 B14R2.4374 O=C1NCC(O1)COCCC2CC2 7a_100000754188_100000181169 [0,0,0,1,0,0|2,0,0]=3 2331 B14R2.4374 O=C1NCC(O1)COCCC2CO2 34a_100011315639_100000732470 [0,0,0,1,0,0|3,0,0]=4 2332 B14R2.4374 O=C1NCC(O1)COCC[C@@H]2CO2 34a_100009820653_100000181169 [0,0,0,1,0,0|3,0,0]=4 2333 B14R2.4374 O=C1NCC(O1)CSCCC2CC2 62a_100000181169_100000764125 [0,0,0,1,0,0|2,0,0]=3 2334 B14R2.4374 O=C1NCC(O1)CSCCC2CC2 62a_100000764125_100000181169 [0,0,0,1,0,0|2,0,0]=3 2335 B14R2.4374 O=C1NCC(O1)CSCCC2CO2 62a_100000181169_100000732470 [0,0,0,1,0,0|3,0,0]=4 2336 B14R2.4374 O=C1NCC(O1)CSCCC2CO2 62a_100000732470_100000181169 [0,0,0,1,0,0|3,0,0]=4 2337 B14R2.4374 O=C1N[C@H](CO1)CNCCC2CC2 34a_100000764129_100015307671 [0,0,0,1,0,0|3,0,0]=4 2338 B14R2.4374 O=C1N[C@H](CO1)COCCC2CC2 34a_100000754188_100015307671 [0,0,0,1,0,0|3,0,0]=4 2339 B14R2.4374 O=C1N[C@H](CO1)COCCC2CC2 7a_100000754188_100015307671 [0,0,0,1,0,0|3,0,0]=4 2340 B14R2.4374 O=C1N[C@H](CO1)CSCCC2CC2 62a_100000764125_100015307671 [0,0,0,1,0,0|3,0,0]=4 2341 B14R2.4374 O=C1N[C@H](CO1)CSCCC2CC2 62a_100015307671_100000764125 [0,0,0,1,0,0|3,0,0]=4 2342 B14R2.4374 O=C1OCC(O1)CNCCC2CC2 34a_100000764129_100000073702 [0,0,0,1,0,0|2,0,0]=3 2343 B14R2.4374 O=C1OCC(O1)COCCC2CC2 34a_100000754188_100000073702 [0,0,0,1,0,0|2,0,0]=3 2344 B14R2.4374 O=C1OCC(O1)COCC[C@@H]2CO2 34a_100009820653_100000073702 [0,0,0,1,0,0|3,0,0]=4 2345 B14R2.4374 O=C1OCC(O1)CSCCC2CC2 62a_100000073702_100000764125 [0,0,0,1,0,0|2,0,0]=3 2346 B14R2.4374 O=C1OCC(O1)CSCCC2CC2 62a_100000764125_100000073702 [0,0,0,1,0,0|2,0,0]=3 2347 B14R2.4374 O=C1OCC(O1)CSCCC2CO2 62a_100000073702_100000732470 [0,0,0,1,0,0|3,0,0]=4 2348 B14R2.4374 O=C1OCC(O1)CSCCC2CO2 62a_100000732470_100000073702 [0,0,0,1,0,0|3,0,0]=4 2349 B14R2.4374 O=C1OCC(O1)OCCNC2CC2 34a_100000738766_100000032252 [0,0,0,1,0,0|3,0,0]=4 2350 B14R2.4374 O=C1OCC(O1)SCCCC2CO2 62a_100000733510_100000032252 [0,0,0,1,0,0|3,0,0]=4 2351 B14R2.4374 O=S1OCC(O1)CCSCC2CC2 62a_100000756562_100009840081 [0,0,0,1,0,0|3,0,0]=4 2352 B14R2.4390 O=C1CC(CN1)CNCC2CCC2 2230a_100016993742_100000763275 [0,0,0,1,0,0|3,0,0]=4 2353 B14R2.4390 O=C1CC(CN1)CNCC2CCC2 269862a_100016993742_100000753134 [0,0,0,1,0,0|3,0,0]=4 2354 B14R2.4390 O=C1CC(CN1)CNCC2CCC2 34a_100016993742_100000763275 [0,0,0,1,0,0|3,0,0]=4 2355 B14R2.4390 O=C1CC(CN1)COCC2CCC2 34a_100016041077_100000763275 [0,0,0,1,0,0|3,0,0]=4 2356 B14R2.4390 O=C1CCC(N1)COCC2CCC2 34a_100000737831_100000763275 [0,0,0,1,0,0|2,0,0]=3 2357 B14R2.4390 O=C1CCC(N1)COCC2CCO2 34a_100000737831_100000103362 [0,0,0,1,0,0|3,0,0]=4 2358 B14R2.4390 O=C1CCC(N1)COCC2COC2 34a_100000737831_100010264016 [0,0,0,1,0,0|3,0,0]=4 2359 B14R2.4390 O=C1CC[C@@H](N1)CNCC2CCC2 2230a_100015423886_100000763275 [0,0,0,1,0,0|2,0,0]=3 2360 B14R2.4390 O=C1CC[C@@H](N1)CNCC2CCC2 269862a_100015423886_100000753134 [0,0,0,1,0,0|2,0,0]=3 2361 B14R2.4390 O=C1CC[C@@H](N1)CNCC2CCC2 34a_100015423886_100000763275 [0,0,0,1,0,0|2,0,0]=3 2362 B14R2.4390 O=C1CC[C@@H](N1)CNCC2CCO2 2230a_100015423886_100000103362 [0,0,0,1,0,0|3,0,0]=4 2363 B14R2.4390 O=C1CC[C@@H](N1)CNCC2CCO2 34a_100015423886_100000103362 [0,0,0,1,0,0|3,0,0]=4 2364 B14R2.4390 O=C1CC[C@@H](N1)CNCC2COC2 2230a_100015423886_100010264016 [0,0,0,1,0,0|3,0,0]=4 2365 B14R2.4390 O=C1CC[C@@H](N1)CNCC2COC2 34a_100015423886_100010264016 [0,0,0,1,0,0|3,0,0]=4 2366 B14R2.4390 O=C1CC[C@H](N1)CNCC2CCC2 2230a_100000738700_100015189358 [0,0,0,1,0,0|2,0,0]=3 2367 B14R2.4390 O=C1CC[C@H](N1)CNCC2COC2 2230a_100015281925_100015189358 [0,0,0,1,0,0|3,0,0]=4 2368 B14R2.4390 O=C1CC[C@H](N1)CNC[C@@H]2CCO2 2230a_100020831831_100015189358 [0,0,0,1,0,0|3,0,0]=4 2369 B14R2.4390 O=C1CC[C@H](N1)CSCC2CCC2 62a_100000763275_100015189358 [0,0,0,1,0,0|2,0,0]=3 2370 B14R2.4390 O=C1CC[C@H](N1)CSCC2CCC2 62a_100015189358_100000763275 [0,0,0,1,0,0|2,0,0]=3 2371 B14R2.4390 O=C1CC[C@H](N1)CSCC2CCO2 62a_100000103362_100015189358 [0,0,0,1,0,0|3,0,0]=4 2372 B14R2.4390 O=C1CC[C@H](N1)CSCC2CCO2 62a_100015189358_100000103362 [0,0,0,1,0,0|3,0,0]=4 2373 B14R2.4390 O=C1CC[C@H](N1)CSCC2COC2 62a_100010264016_100015189358 [0,0,0,1,0,0|3,0,0]=4 2374 B14R2.4390 O=C1CC[C@H](N1)CSCC2COC2 62a_100015189358_100010264016 [0,0,0,1,0,0|3,0,0]=4 2375 B14R2.4390 O=C1NCC(O1)CNCC2CCC2 2230a_100000738700_100000181169 [0,0,0,1,0,0|2,0,0]=3 2376 B14R2.4390 O=C1NCC(O1)CNCC2CCC2 34a_100000738700_100000181169 [0,0,0,1,0,0|2,0,0]=3 2377 B14R2.4390 O=C1NCC(O1)CNCC2COC2 2230a_100015281925_100000181169 [0,0,0,1,0,0|3,0,0]=4 2378 B14R2.4390 O=C1NCC(O1)CNCC2COC2 34a_100015281925_100000181169 [0,0,0,1,0,0|3,0,0]=4 2379 B14R2.4390 O=C1NCC(O1)CNC[C@@H]2CCO2 2230a_100020831831_100000181169 [0,0,0,1,0,0|3,0,0]=4 2380 B14R2.4390 O=C1NCC(O1)CNC[C@@H]2CCO2 34a_100020831831_100000181169 [0,0,0,1,0,0|3,0,0]=4 2381 B14R2.4390 O=C1NCC(O1)COCC2CCC2 34a_100000760304_100000181169 [0,0,0,1,0,0|2,0,0]=3 2382 B14R2.4390 O=C1NCC(O1)COCC2CCC2 34a_100011315639_100000763275 [0,0,0,1,0,0|2,0,0]=3 2383 B14R2.4390 O=C1NCC(O1)COCC2CCO2 34a_100000039022_100000181169 [0,0,0,1,0,0|3,0,0]=4 2384 B14R2.4390 O=C1NCC(O1)COCC2CCO2 34a_100011315639_100000103362 [0,0,0,1,0,0|3,0,0]=4 2385 B14R2.4390 O=C1NCC(O1)COCC2CNC2 34a_100016987283_100000181169 [0,0,0,1,0,0|3,0,0]=4 2386 B14R2.4390 O=C1NCC(O1)COCC2COC2 34a_100000060846_100000181169 [0,0,0,1,0,0|3,0,0]=4 2387 B14R2.4390 O=C1NCC(O1)COCC2COC2 34a_100011315639_100010264016 [0,0,0,1,0,0|3,0,0]=4 2388 B14R2.4390 O=C1NCC(O1)CSCC2CCC2 62a_100000181169_100000763275 [0,0,0,1,0,0|2,0,0]=3 2389 B14R2.4390 O=C1NCC(O1)CSCC2CCC2 62a_100000763275_100000181169 [0,0,0,1,0,0|2,0,0]=3 2390 B14R2.4390 O=C1NCC(O1)CSCC2CCO2 62a_100000103362_100000181169 [0,0,0,1,0,0|3,0,0]=4 2391 B14R2.4390 O=C1NCC(O1)CSCC2CCO2 62a_100000181169_100000103362 [0,0,0,1,0,0|3,0,0]=4 2392 B14R2.4390 O=C1NCC(O1)CSCC2COC2 62a_100000181169_100010264016 [0,0,0,1,0,0|3,0,0]=4 2393 B14R2.4390 O=C1NCC(O1)CSCC2COC2 62a_100010264016_100000181169 [0,0,0,1,0,0|3,0,0]=4 2394 B14R2.4390 O=C1N[C@H](CO1)CNCC2CCC2 2230a_100000738700_100015307671 [0,0,0,1,0,0|3,0,0]=4 2395 B14R2.4390 O=C1N[C@H](CO1)CNCC2CCC2 34a_100000738700_100015307671 [0,0,0,1,0,0|3,0,0]=4 2396 B14R2.4390 O=C1N[C@H](CO1)COCC2CCC2 34a_100000760304_100015307671 [0,0,0,1,0,0|3,0,0]=4 2397 B14R2.4390 O=C1N[C@H](CO1)CSCC2CCC2 62a_100000763275_100015307671 [0,0,0,1,0,0|3,0,0]=4 2398 B14R2.4390 O=C1N[C@H](CO1)CSCC2CCC2 62a_100015307671_100000763275 [0,0,0,1,0,0|3,0,0]=4 2399 B14R2.4390 O=C1OCC(O1)CNCC2CCC2 34a_100000738700_100000073702 [0,0,0,1,0,0|2,0,0]=3 2400 B14R2.4390 O=C1OCC(O1)CNCC2COC2 34a_100015281925_100000073702 [0,0,0,1,0,0|3,0,0]=4 2401 B14R2.4390 O=C1OCC(O1)CNC[C@@H]2CCO2 34a_100020831831_100000073702 [0,0,0,1,0,0|3,0,0]=4 2402 B14R2.4390 O=C1OCC(O1)COCC2CCC2 34a_100000760304_100000073702 [0,0,0,1,0,0|2,0,0]=3 2403 B14R2.4390 O=C1OCC(O1)COCC2CCO2 34a_100000039022_100000073702 [0,0,0,1,0,0|3,0,0]=4 2404 B14R2.4390 O=C1OCC(O1)COCC2CNC2 34a_100016987283_100000073702 [0,0,0,1,0,0|3,0,0]=4 2405 B14R2.4390 O=C1OCC(O1)COCC2COC2 34a_100000060846_100000073702 [0,0,0,1,0,0|3,0,0]=4 2406 B14R2.4390 O=C1OCC(O1)CSCC2CCC2 62a_100000073702_100000763275 [0,0,0,1,0,0|2,0,0]=3 2407 B14R2.4390 O=C1OCC(O1)CSCC2CCC2 62a_100000763275_100000073702 [0,0,0,1,0,0|2,0,0]=3 2408 B14R2.4390 O=C1OCC(O1)CSCC2CCO2 62a_100000073702_100000103362 [0,0,0,1,0,0|3,0,0]=4 2409 B14R2.4390 O=C1OCC(O1)CSCC2CCO2 62a_100000103362_100000073702 [0,0,0,1,0,0|3,0,0]=4 2410 B14R2.4390 O=C1OCC(O1)CSCC2COC2 62a_100000073702_100010264016 [0,0,0,1,0,0|3,0,0]=4 2411 B14R2.4390 O=C1OCC(O1)CSCC2COC2 62a_100010264016_100000073702 [0,0,0,1,0,0|3,0,0]=4 2412 B14R2.4390 O=C1OCC(O1)OCCC2COC2 34a_100009855314_100000032252 [0,0,0,1,0,0|3,0,0]=4 2413 B12R1.62 C=C1CC(C1)CNCCCCC 2230a_100102567296_100000210326 [0,0,0,0,1,0|3,0,0]=4 2414 B12R1.62 C=C1CC(C1)CNCCCCC 34a_100102567296_100000718602 [0,0,0,0,1,0|3,0,0]=4 2415 B12R1.62 C=C1CC(C1)COCCCCC 34a_100011011225_100000718602 [0,0,0,0,1,0|3,0,0]=4 2416 B12R1.62 C=C1CC(C1)NCCCCCC 2230a_100132301982_100000210314 [0,0,0,0,1,0|3,0,0]=4 2417 B12R1.62 CCCCCCSC1CC(=O)C1 62a_100009894365_100000210757 [0,0,0,0,1,0|2,0,0]=3 2418 B12R1.62 CCCCCNCC1CC(=O)C1 2230a_100000209983_100009874392 [0,0,0,0,1,0|2,0,0]=3 2419 B12R1.62 CCCCCOCC1CC(=O)C1 34a_100000101936_100000718602 [0,0,0,0,1,0|2,0,0]=3 2420 B12R1.62 CCCCCOCC1CC(=O)C1 7a_100000210253_100009874392 [0,0,0,0,1,0|2,0,0]=3 2421 B12R1.62 CCCCCSCC1CC(=O)C1 62a_100000210326_100009874392 [0,0,0,0,1,0|2,0,0]=3 2422 B12R1.62 CCCCCSCC1CC(=O)C1 62a_100009874392_100000210326 [0,0,0,0,1,0|2,0,0]=3 2423 B12R1.62 CCCCOCSC1CC(=O)C1 62a_100009894365_100011995733 [0,0,0,0,1,0|3,0,0]=4 2424 B12R1.62 CCCOCCSC1CC(=O)C1 62a_100009894365_100011215938 [0,0,0,0,1,0|3,0,0]=4 2425 B12R1.62 CCOCCCSC1CC(=O)C1 62a_100009894365_100012232248 [0,0,0,0,1,0|3,0,0]=4 2426 B12R1.62 CCOCCNCC1CC(=O)C1 2230a_102516460346_100009874392 [0,0,0,0,1,0|3,0,0]=4 2427 B12R1.62 CCOCCOCC1CC(=O)C1 34a_100000101936_100000210147 [0,0,0,0,1,0|3,0,0]=4 2428 B12R1.62 CCOCCOCC1CC(=O)C1 7a_100000210136_100009874392 [0,0,0,0,1,0|3,0,0]=4 2429 B12R1.62 CCOCCSCC1CC(=O)C1 62a_100000210147_100009874392 [0,0,0,0,1,0|3,0,0]=4 2430 B12R1.62 CCOCCSCC1CC(=O)C1 62a_100009874392_100011215890 [0,0,0,0,1,0|3,0,0]=4 2431 B12R1.62 CCSCCNCC1CC(=O)C1 2230a_100000106463_100009874392 [0,0,0,0,1,0|3,0,0]=4 2432 B12R1.62 CCSCCOCC1CC(=O)C1 34a_100000101936_100000757381 [0,0,0,0,1,0|3,0,0]=4 2433 B12R1.62 CCSCCOCC1CC(=O)C1 7a_100000212035_100009874392 [0,0,0,0,1,0|3,0,0]=4 2434 B12R1.62 CCSCCSCC1CC(=O)C1 62a_100000757381_100009874392 [0,0,0,0,1,0|3,0,0]=4 2435 B12R1.62 CCSCCSCC1CC(=O)C1 62a_100009874392_100000757381 [0,0,0,0,1,0|3,0,0]=4 2436 B12R1.62 COCCCCSC1CC(=O)C1 62a_100009894365_100000730899 [0,0,0,0,1,0|3,0,0]=4 2437 B12R1.62 COCCCOCC1CC(=O)C1 34a_100000101936_100000740836 [0,0,0,0,1,0|3,0,0]=4 2438 B12R1.62 COCCCSCC1CC(=O)C1 62a_100000709357_100009874392 [0,0,0,0,1,0|3,0,0]=4 2439 B12R1.62 COCCCSCC1CC(=O)C1 62a_100009874392_100000709357 [0,0,0,0,1,0|3,0,0]=4 2440 B12R1.62 CSCCCNCC1CC(=O)C1 2230a_100000749238_100009874392 [0,0,0,0,1,0|3,0,0]=4 2441 B12R1.62 CSCCCOCC1CC(=O)C1 7a_100000690336_100009874392 [0,0,0,0,1,0|3,0,0]=4 2442 B12R1.62 O=C1CC(C1)CNCCCCO 2230a_100000750430_100009874392 [0,0,0,0,1,0|3,0,0]=4 2443 B12R1.62 O=C1CC(C1)COCCCCCl 7a_100000210776_100009874392 [0,0,0,0,1,0|3,0,0]=4 2444 B12R1.62 O=C1CC(C1)COCCCCF 34a_100000101936_100000729493 [0,0,0,0,1,0|3,0,0]=4 2445 B12R1.62 O=C1CC(C1)COCCCCF 7a_100011995726_100009874392 [0,0,0,0,1,0|3,0,0]=4 2446 B12R1.62 O=C1CC(C1)COCCCCO 34a_100000101936_100011216708 [0,0,0,0,1,0|3,0,0]=4 2447 B12R1.62 O=C1CC(C1)CSCCCCF 62a_100000729493_100009874392 [0,0,0,0,1,0|3,0,0]=4 2448 B12R1.62 O=C1CC(C1)CSCCCCF 62a_100009874392_100000729493 [0,0,0,0,1,0|3,0,0]=4 2449 B12R1.62 O=C1CC(C1)CSCCCCO 62a_100000210776_100009874392 [0,0,0,0,1,0|3,0,0]=4 2450 B12R1.62 O=C1CC(C1)CSCCCCO 62a_100009874392_100000210776 [0,0,0,0,1,0|3,0,0]=4 2451 B12R1.62 O=C1CC(C1)SCCCCCF 62a_100009894365_100000729378 [0,0,0,0,1,0|3,0,0]=4 2452 B12R1.62 O=C1CC(C1)SCCCCCO 62a_100009894365_100000746330 [0,0,0,0,1,0|3,0,0]=4 2453 B12R1.383 C#CCCCCNC1CCC1=O 34a_100000706060_100009892977 [0,0,0,0,1,0|1,0,2]=4 2454 B12R1.383 C#CCCCCOC1CCC1=O 34a_100000766709_100009892977 [0,0,0,0,1,0|1,0,2]=4 2455 B12R1.383 C#CCCCCOC1CCC1=O 7a_100000766709_100009892977 [0,0,0,0,1,0|1,0,2]=4 2456 B12R1.383 C#CCCCCSC1CCC1=O 62a_100009892977_100010269958 [0,0,0,0,1,0|1,0,2]=4 2457 B12R1.383 C#CCCCCSC1CCC1=O 62a_100010269958_100009892977 [0,0,0,0,1,0|1,0,2]=4 2458 B12R1.383 C#CCCSCCC1CCC1=O 62a_100000688953_200016118888 [0,0,0,0,1,0|1,0,2]=4 2459 B12R1.383 C#CCCSCCC1CCC1=O 62a_200016118888_100000688953 [0,0,0,0,1,0|1,0,2]=4 2460 B12R1.383 C/C=C/CSCCC1CCC1=O 62a_100102629194_200016118888 [0,0,0,0,1,0|1,0,2]=4 2461 B12R1.383 C/C=C/CSCCC1CCC1=O 62a_200016118888_100102629194 [0,0,0,0,1,0|1,0,2]=4 2462 B12R1.383 C=CCCCCNC1CCC1=O 34a_100000703577_100009892977 [0,0,0,0,1,0|1,0,2]=4 2463 B12R1.383 C=CCCCCOC1CCC1=O 34a_100000766645_100009892977 [0,0,0,0,1,0|1,0,2]=4 2464 B12R1.383 C=CCCCCOC1CCC1=O 7a_100000766645_100009892977 [0,0,0,0,1,0|1,0,2]=4 2465 B12R1.383 C=CCCCCSC1CCC1=O 62a_100009892977_100011215482 [0,0,0,0,1,0|1,0,2]=4 2466 B12R1.383 C=CCCCCSC1CCC1=O 62a_100011215482_100009892977 [0,0,0,0,1,0|1,0,2]=4 2467 B12R1.383 C=CCCNCCC1CCC1=O 2230a_100015191253_200016118888 [0,0,0,0,1,0|1,0,2]=4 2468 B12R1.383 C=CCCSCCC1CCC1=O 62a_100000754431_200016118888 [0,0,0,0,1,0|1,0,2]=4 2469 B12R1.383 C=CCCSCCC1CCC1=O 62a_200016118888_100000754431 [0,0,0,0,1,0|1,0,2]=4 2470 B12R1.383 CC#CCNCCC1CCC1=O 2230a_100000685387_200016118888 [0,0,0,0,1,0|1,0,2]=4 2471 B12R1.383 CC#CCSCCC1CCC1=O 62a_100000748600_200016118888 [0,0,0,0,1,0|1,0,2]=4 2472 B12R1.383 CC#CCSCCC1CCC1=O 62a_200016118888_100000748600 [0,0,0,0,1,0|1,0,2]=4 2473 B12R1.383 CC/C=C\CCOC1CCC1=O 34a_100016288707_100009892977 [0,0,0,0,1,0|1,0,2]=4 2474 B12R1.383 CC/C=C\CCOC1CCC1=O 7a_100016288707_100009892977 [0,0,0,0,1,0|1,0,2]=4 2475 B12R1.383 CC/C=C\CCSC1CCC1=O 62a_100009892977_100015370543 [0,0,0,0,1,0|1,0,2]=4 2476 B12R1.383 CC/C=C\CCSC1CCC1=O 62a_100015370543_100009892977 [0,0,0,0,1,0|1,0,2]=4 2477 B12R1.383 CC=CCCCOC1CCC1=O 34a_100020645299_100009892977 [0,0,0,0,1,0|1,0,2]=4 2478 B12R1.383 CC=CCSCCC1CCC1=O 62a_100000070051_200016118888 [0,0,0,0,1,0|1,0,2]=4 2479 B12R1.383 CC=CCSCCC1CCC1=O 62a_200016118888_100000070051 [0,0,0,0,1,0|1,0,2]=4 2480 B12R1.383 CCC#CCCOC1CCC1=O 34a_100000036655_100009892977 [0,0,0,0,1,0|1,0,2]=4 2481 B12R1.383 CCC#CCCOC1CCC1=O 7a_100000036655_100009892977 [0,0,0,0,1,0|1,0,2]=4 2482 B12R1.383 CCC/C=C/COC1CCC1=O 34a_100016278788_100009892977 [0,0,0,0,1,0|1,0,2]=4 2483 B12R1.383 CCC/C=C/COC1CCC1=O 7a_100016278788_100009892977 [0,0,0,0,1,0|1,0,2]=4 2484 B12R1.383 CCCC#CCOC1CCC1=O 34a_100000034806_100009892977 [0,0,0,0,1,0|1,0,2]=4 2485 B12R1.383 CCCC#CCOC1CCC1=O 7a_100000034806_100009892977 [0,0,0,0,1,0|1,0,2]=4 2486 B12R1.383 CCCCCCCN1CCC1C 269982a_100000755817_100000210681 [0,0,0,0,1,0|2,0,1]=4 2487 B12R1.383 CCCCCCCN1CCC1C 34a_100000755817_100000210614 [0,0,0,0,1,0|2,0,1]=4 2488 B12R1.383 CCCCCCOC1CCC1=O 34a_100000210259_100009892977 [0,0,0,0,1,0|1,0,0]=2 2489 B12R1.383 CCCCCCOC1CCC1=O 7a_100000210259_100009892977 [0,0,0,0,1,0|1,0,0]=2 2490 B12R1.383 CCCCCCSC1CCC1=O 62a_100000210314_100009892977 [0,0,0,0,1,0|1,0,0]=2 2491 B12R1.383 CCCCCCSC1CCC1=O 62a_100009892977_100000210757 [0,0,0,0,1,0|1,0,0]=2 2492 B12R1.383 CCCCNCCC1CCC1=O 2230a_100000102301_200016118888 [0,0,0,0,1,0|1,0,0]=2 2493 B12R1.383 CCCCNCCC1CCC1=O 7a_106832991798_200016118888 [0,0,0,0,1,0|1,0,0]=2 2494 B12R1.383 CCCCOCCC1CCC1=O 7a_100000210227_200016118888 [0,0,0,0,1,0|1,0,0]=2 2495 B12R1.383 CCCCOCSC1CCC1=O 62a_100009892977_100011995733 [0,0,0,0,1,0|2,0,0]=3 2496 B12R1.383 CCCCOCSC1CCC1=O 62a_100011995733_100009892977 [0,0,0,0,1,0|2,0,0]=3 2497 B12R1.383 CCCCSCCC1CCC1=O 62a_100000210211_200016118888 [0,0,0,0,1,0|1,0,0]=2 2498 B12R1.383 CCCCSCCC1CCC1=O 62a_200016118888_100000210210 [0,0,0,0,1,0|1,0,0]=2 2499 B12R1.383 CCCOCCNC1CCC1=O 34a_100161115042_100009892977 [0,0,0,0,1,0|2,0,0]=3 2500 B12R1.383 CCCOCCOC1CCC1=O 34a_100000752267_100009892977 [0,0,0,0,1,0|2,0,0]=3 2501 B12R1.383 CCCOCCOC1CCC1=O 7a_100000752267_100009892977 [0,0,0,0,1,0|2,0,0]=3 2502 B12R1.383 CCCOCCSC1CCC1=O 62a_100009892977_100011215938 [0,0,0,0,1,0|2,0,0]=3 2503 B12R1.383 CCCOCCSC1CCC1=O 62a_100011215938_100009892977 [0,0,0,0,1,0|2,0,0]=3 2504 B12R1.383 CCCSCCOC1CCC1=O 34a_200000230433_100009892977 [0,0,0,0,1,0|2,0,0]=3 2505 B12R1.383 CCCSCCOC1CCC1=O 7a_200000230433_100009892977 [0,0,0,0,1,0|2,0,0]=3 2506 B12R1.383 CCOCCCNC1CCC1=O 34a_100000210961_100009892977 [0,0,0,0,1,0|2,0,0]=3 2507 B12R1.383 CCOCCCOC1CCC1=O 34a_100000757476_100009892977 [0,0,0,0,1,0|2,0,0]=3 2508 B12R1.383 CCOCCCOC1CCC1=O 7a_100000757476_100009892977 [0,0,0,0,1,0|2,0,0]=3 2509 B12R1.383 CCOCCCSC1CCC1=O 62a_100009892977_100012232248 [0,0,0,0,1,0|2,0,0]=3 2510 B12R1.383 CCOCCCSC1CCC1=O 62a_100012232248_100009892977 [0,0,0,0,1,0|2,0,0]=3 2511 B12R1.383 CCOCSCCC1CCC1=O 62a_100000739092_200016118888 [0,0,0,0,1,0|2,0,0]=3 2512 B12R1.383 CCOCSCCC1CCC1=O 62a_200016118888_100000739092 [0,0,0,0,1,0|2,0,0]=3 2513 B12R1.383 CCSCCCOC1CCC1=O 34a_100011216438_100009892977 [0,0,0,0,1,0|2,0,0]=3 2514 B12R1.383 CCSCCCOC1CCC1=O 7a_100011216438_100009892977 [0,0,0,0,1,0|2,0,0]=3 2515 B12R1.383 COCCCCOC1CCC1=O 34a_100000740925_100009892977 [0,0,0,0,1,0|2,0,0]=3 2516 B12R1.383 COCCCCSC1CCC1=O 62a_100000730899_100009892977 [0,0,0,0,1,0|2,0,0]=3 2517 B12R1.383 COCCCCSC1CCC1=O 62a_100009892977_100000730899 [0,0,0,0,1,0|2,0,0]=3 2518 B12R1.383 COCCNCCC1CCC1=O 2230a_100000209980_200016118888 [0,0,0,0,1,0|2,0,0]=3 2519 B12R1.383 COCCOCSC1CCC1=O 62a_100000231047_100009892977 [0,0,0,0,1,0|3,0,0]=4 2520 B12R1.383 COCCOCSC1CCC1=O 62a_100009892977_100000231047 [0,0,0,0,1,0|3,0,0]=4 2521 B12R1.383 COCCSCCC1CCC1=O 62a_100000233755_200016118888 [0,0,0,0,1,0|2,0,0]=3 2522 B12R1.383 COCCSCCC1CCC1=O 62a_200016118888_100000233755 [0,0,0,0,1,0|2,0,0]=3 2523 B12R1.383 CSCCCCOC1CCC1=O 34a_100011217163_100009892977 [0,0,0,0,1,0|2,0,0]=3 2524 B12R1.383 CSCCCCOC1CCC1=O 7a_100011217163_100009892977 [0,0,0,0,1,0|2,0,0]=3 2525 B12R1.383 CSCCNCCC1CCC1=O 2230a_100020590264_200016118888 [0,0,0,0,1,0|2,0,0]=3 2526 B12R1.383 CSCCOCCC1CCC1=O 7a_100000230434_200016118888 [0,0,0,0,1,0|2,0,0]=3 2527 B12R1.383 CSCCSCCC1CCC1=O 62a_100000212216_200016118888 [0,0,0,0,1,0|2,0,0]=3 2528 B12R1.383 CSCCSCCC1CCC1=O 62a_200016118888_100000751147 [0,0,0,0,1,0|2,0,0]=3 2529 B12R1.383 N#CCCCCSC1CCC1=O 62a_100009892977_100000211819 [0,0,0,0,1,0|2,0,1]=4 2530 B12R1.383 N#CCCCCSC1CCC1=O 62a_100011219923_100009892977 [0,0,0,0,1,0|2,0,1]=4 2531 B12R1.383 N#CCCSCCC1CCC1=O 62a_100011215226_200016118888 [0,0,0,0,1,0|2,0,1]=4 2532 B12R1.383 N#CCCSCCC1CCC1=O 62a_200016118888_100011215226 [0,0,0,0,1,0|2,0,1]=4 2533 B12R1.383 NCCCCCOC1CCC1=O 34a_100000762737_100009892977 [0,0,0,0,1,0|2,0,0]=3 2534 B12R1.383 NCCOCCOC1CCC1=O 34a_100000211614_100009892977 [0,0,0,0,1,0|3,0,0]=4 2535 B12R1.383 O=C1CCC1CCNCCCF 2230a_100015189416_200016118888 [0,0,0,0,1,0|2,0,0]=3 2536 B12R1.383 O=C1CCC1CCSCCCF 62a_100011934791_200016118888 [0,0,0,0,1,0|2,0,0]=3 2537 B12R1.383 O=C1CCC1CCSCCCF 62a_200016118888_100011934791 [0,0,0,0,1,0|2,0,0]=3 2538 B12R1.383 O=C1CCC1CCSCCCO 62a_100011215043_200016118888 [0,0,0,0,1,0|2,0,0]=3 2539 B12R1.383 O=C1CCC1CCSCCCO 62a_200016118888_100011215043 [0,0,0,0,1,0|2,0,0]=3 2540 B12R1.383 O=C1CCC1NCCCCCO 34a_100000762737_100009892977 [0,0,0,0,1,0|2,0,0]=3 2541 B12R1.383 O=C1CCC1NCCOCCO 34a_100000211614_100009892977 [0,0,0,0,1,0|3,0,0]=4 2542 B12R1.383 O=C1CCC1OCCCCCBr 34a_100000746331_100009892977 [0,0,0,0,1,0|2,0,0]=3 2543 B12R1.383 O=C1CCC1OCCCCCBr 7a_100000746331_100009892977 [0,0,0,0,1,0|2,0,0]=3 2544 B12R1.383 O=C1CCC1OCCCCCCl 34a_100000746330_100009892977 [0,0,0,0,1,0|2,0,0]=3 2545 B12R1.383 O=C1CCC1OCCCCCCl 7a_100000746330_100009892977 [0,0,0,0,1,0|2,0,0]=3 2546 B12R1.383 O=C1CCC1OCCCCCI 34a_200012148887_100009892977 [0,0,0,0,1,0|2,0,0]=3 2547 B12R1.383 O=C1CCC1OCCCCCI 7a_200012148887_100009892977 [0,0,0,0,1,0|2,0,0]=3 2548 B12R1.383 O=C1CCC1OCCOCCBr 34a_100000692535_100009892977 [0,0,0,0,1,0|3,0,0]=4 2549 B12R1.383 O=C1CCC1OCCOCCBr 7a_100000692535_100009892977 [0,0,0,0,1,0|3,0,0]=4 2550 B12R1.383 O=C1CCC1OCCOCCCl 34a_100011215305_100009892977 [0,0,0,0,1,0|3,0,0]=4 2551 B12R1.383 O=C1CCC1OCCOCCCl 7a_100011215305_100009892977 [0,0,0,0,1,0|3,0,0]=4 2552 B12R1.383 O=C1CCC1OCCOCCF 34a_200015357709_100009892977 [0,0,0,0,1,0|3,0,0]=4 2553 B12R1.383 O=C1CCC1OCCOCCF 7a_200015357709_100009892977 [0,0,0,0,1,0|3,0,0]=4 2554 B12R1.383 O=C1CCC1OCCOCCI 34a_100012149058_100009892977 [0,0,0,0,1,0|3,0,0]=4 2555 B12R1.383 O=C1CCC1OCCOCCI 7a_100012149058_100009892977 [0,0,0,0,1,0|3,0,0]=4 2556 B12R1.383 O=C1CCC1SCCCCCF 62a_100000729378_100009892977 [0,0,0,0,1,0|2,0,0]=3 2557 B12R1.383 O=C1CCC1SCCCCCF 62a_100009892977_100000729378 [0,0,0,0,1,0|2,0,0]=3 2558 B12R1.383 O=C1CCC1SCCCCCO 62a_100000746330_100009892977 [0,0,0,0,1,0|2,0,0]=3 2559 B12R1.383 O=C1CCC1SCCCCCO 62a_100009892977_100000746330 [0,0,0,0,1,0|2,0,0]=3 2560 B12R1.383 O=C1CCC1SCCOCCO 62a_100009892977_100011215305 [0,0,0,0,1,0|3,0,0]=4 2561 B12R1.383 O=C1CCC1SCCOCCO 62a_100011215305_100009892977 [0,0,0,0,1,0|3,0,0]=4 2562 B12R1.383 O=CCCCCSC1CCC1=O 62a_100000139335_100009892977 [0,0,0,0,1,0|2,0,1]=4 2563 B12R1.383 O=CCCCCSC1CCC1=O 62a_100009892977_100000139335 [0,0,0,0,1,0|2,0,1]=4 2564 B14R1.14 C=C1CCC(CC1)COCCCCC 34a_100000074039_100000718602 [0,0,0,0,0,1|3,0,0]=4 2565 B14R1.14 C=C1CCC(CC1)NCCCCCC 270004a_100000210581_100010272673 [0,0,0,0,0,1|3,0,0]=4 2566 B14R1.14 C=C1CCN(CC1)CCCCCCC 2230a_100000752442_100000210681 [0,0,0,0,0,1|3,0,0]=4 2567 B14R1.14 C=C1CCN(CC1)CCCCCCC 269982a_100000752442_100000210681 [0,0,0,0,0,1|3,0,0]=4 2568 B14R1.14 C=C1CCN(CC1)CCCCCCC 34a_100000752442_100000210614 [0,0,0,0,0,1|3,0,0]=4 2569 B14R1.14 CCCCCCCN1CC=C(CC1)C 2230a_100000693516_100000210681 [0,0,0,0,0,1|3,0,0]=4 2570 B14R1.14 CCCCCCCN1CC=C(CC1)C 269982a_100000693516_100000210681 [0,0,0,0,0,1|3,0,0]=4 2571 B14R1.14 CCCCCCCN1CC=C(CC1)C 34a_100000693516_100000210614 [0,0,0,0,0,1|3,0,0]=4 2572 B14R1.14 CCCCCCCN1CCS(=O)CC1 2230a_100000752083_100000210681 [0,0,0,0,0,1|3,0,0]=4 2573 B14R1.14 CCCCCCCN1CCS(=O)CC1 269982a_100000752083_100000210681 [0,0,0,0,0,1|3,0,0]=4 2574 B14R1.14 CCCCCCNC1CCC(=O)NC1 2230a_100000748762_100000210314 [0,0,0,0,0,1|2,0,0]=3 2575 B14R1.14 CCCCCCNC1CCC(=O)NC1 34a_100000748762_100000210314 [0,0,0,0,0,1|2,0,0]=3 2576 B14R1.14 CCCCCCOC1CCC(=O)CC1 34a_100000764474_100000210314 [0,0,0,0,0,1|2,0,0]=3 2577 B14R1.14 CCCCCCOC1CCC(=O)CC1 7a_100000764474_100000210314 [0,0,0,0,0,1|2,0,0]=3 2578 B14R1.14 CCCCCCOC1CCC(=O)NC1 34a_100000079199_100000210314 [0,0,0,0,0,1|2,0,0]=3 2579 B14R1.14 CCCCCCOC1CNC(=O)NC1 34a_100000080929_100000210314 [0,0,0,0,0,1|3,0,0]=4 2580 B14R1.14 CCCCCOCC1CCC(=O)CC1 34a_100000062911_100000718602 [0,0,0,0,0,1|2,0,0]=3 2581 B14R1.14 CCCCOCNC1CCC(=O)NC1 2230a_100000748762_100011995733 [0,0,0,0,0,1|3,0,0]=4 2582 B14R1.14 CCCCOCNC1CCC(=O)NC1 34a_100000748762_100011995733 [0,0,0,0,0,1|3,0,0]=4 2583 B14R1.14 CCCCOCOC1CCC(=O)CC1 34a_100000764474_100011995733 [0,0,0,0,0,1|3,0,0]=4 2584 B14R1.14 CCCCOCOC1CCC(=O)NC1 34a_100000079199_100011995733 [0,0,0,0,0,1|3,0,0]=4 2585 B14R1.14 CCCOCCNC1CCC(=O)NC1 2230a_100000748762_100011215938 [0,0,0,0,0,1|3,0,0]=4 2586 B14R1.14 CCCOCCNC1CCC(=O)NC1 34a_100000748762_100011215938 [0,0,0,0,0,1|3,0,0]=4 2587 B14R1.14 CCCOCCOC1CCC(=O)CC1 34a_100000764474_100011215938 [0,0,0,0,0,1|3,0,0]=4 2588 B14R1.14 CCCOCCOC1CCC(=O)CC1 7a_100000764474_100011215938 [0,0,0,0,0,1|3,0,0]=4 2589 B14R1.14 CCCOCCOC1CCC(=O)NC1 34a_100000079199_100011215938 [0,0,0,0,0,1|3,0,0]=4 2590 B14R1.14 CCOCCCNC1CCC(=O)NC1 2230a_100000748762_100012232248 [0,0,0,0,0,1|3,0,0]=4 2591 B14R1.14 CCOCCCNC1CCC(=O)NC1 34a_100000748762_100012232248 [0,0,0,0,0,1|3,0,0]=4 2592 B14R1.14 CCOCCCOC1CCC(=O)CC1 34a_100000764474_100012232248 [0,0,0,0,0,1|3,0,0]=4 2593 B14R1.14 CCOCCCOC1CCC(=O)CC1 7a_100000764474_100012232248 [0,0,0,0,0,1|3,0,0]=4 2594 B14R1.14 CCOCCCOC1CCC(=O)NC1 34a_100000079199_100012232248 [0,0,0,0,0,1|3,0,0]=4 2595 B14R1.14 CCOCCOCC1CCC(=O)CC1 34a_100000062911_100000210147 [0,0,0,0,0,1|3,0,0]=4 2596 B14R1.14 CCSCCOCC1CCC(=O)CC1 34a_100000062911_100000757381 [0,0,0,0,0,1|3,0,0]=4 2597 B14R1.14 COCCCCNC1CCC(=O)NC1 2230a_100000748762_100000730899 [0,0,0,0,0,1|3,0,0]=4 2598 B14R1.14 COCCCCNC1CCC(=O)NC1 34a_100000748762_100000755781 [0,0,0,0,0,1|3,0,0]=4 2599 B14R1.14 COCCCCOC1CCC(=O)CC1 34a_100000764474_100000755781 [0,0,0,0,0,1|3,0,0]=4 2600 B14R1.14 COCCCCOC1CCC(=O)CC1 7a_100000764474_100000730899 [0,0,0,0,0,1|3,0,0]=4 2601 B14R1.14 COCCCCOC1CCC(=O)NC1 34a_100000079199_100000755781 [0,0,0,0,0,1|3,0,0]=4 2602 B14R1.14 COCCCOCC1CCC(=O)CC1 34a_100000062911_100000740836 [0,0,0,0,0,1|3,0,0]=4 2603 B14R1.14 O=C1CCC(CC1)COCCCCF 34a_100000062911_100000729493 [0,0,0,0,0,1|3,0,0]=4 2604 B14R1.14 O=C1CCC(CC1)COCCCCO 34a_100000062911_100011216708 [0,0,0,0,0,1|3,0,0]=4 2605 B14R1.14 O=C1CCC(CC1)OCCCCCF 34a_100000764474_100000729378 [0,0,0,0,0,1|3,0,0]=4 2606 B14R1.14 O=C1CCC(CC1)OCCCCCF 7a_100000764474_100000729378 [0,0,0,0,0,1|3,0,0]=4 2607 B14R1.14 O=C1CCC(CC1)OCCCCCO 34a_100000764474_100000746330 [0,0,0,0,0,1|3,0,0]=4 2608 B14R1.14 O=C1CCC(CC1)OCCCCCO 7a_100000764474_100000746330 [0,0,0,0,0,1|3,0,0]=4 2609 B14R1.14 O=C1CCC(CN1)NCCCCCF 2230a_100000748762_100000729378 [0,0,0,0,0,1|3,0,0]=4 2610 B14R1.14 O=C1CCC(CN1)NCCCCCF 34a_100000748762_100000729378 [0,0,0,0,0,1|3,0,0]=4 2611 B14R1.14 O=C1CCC(CN1)NCCCCCO 2230a_100000748762_100000746330 [0,0,0,0,0,1|3,0,0]=4 2612 B14R1.14 O=C1CCC(CN1)NCCCCCO 34a_100000748762_100000746330 [0,0,0,0,0,1|3,0,0]=4 2613 B14R1.14 O=C1CCC(CN1)OCCCCCF 34a_100000079199_100000729378 [0,0,0,0,0,1|3,0,0]=4 2614 B14R1.14 O=C1CCC(CN1)OCCCCCO 34a_100000079199_100000746330 [0,0,0,0,0,1|3,0,0]=4 2615 B14R1.26 CCCCCCCN1CCC=C(C1)C 2230a_100000725631_100000210681 [0,0,0,0,0,1|3,0,0]=4 2616 B14R1.26 CCCCCCCN1CCC=C(C1)C 269982a_100000725631_100000210681 [0,0,0,0,0,1|3,0,0]=4 2617 B14R1.26 CCCCCCCN1CCC=C(C1)C 34a_100000725631_100000210614 [0,0,0,0,0,1|3,0,0]=4 2618 B14R1.26 CCCCCCCN1CCNC(=O)C1 2230a_100000184651_100000210681 [0,0,0,0,0,1|2,0,0]=3 2619 B14R1.26 CCCCCCCN1CCOC(=O)C1 2230a_100000131268_100000210681 [0,0,0,0,0,1|2,0,0]=3 2620 B14R1.26 CCCCCCNC1CCNC(=O)C1 2230a_100016994916_100000210314 [0,0,0,0,0,1|2,0,0]=3 2621 B14R1.26 CCCCCCNC1CCNC(=O)C1 34a_100016994916_100000210314 [0,0,0,0,0,1|2,0,0]=3 2622 B14R1.26 CCCCCCOC1C=C(CCC1)C 34a_100011218613_100000210314 [0,0,0,0,0,1|3,0,0]=4 2623 B14R1.26 CCCCCCOC1CCCC(=O)C1 34a_100012613340_100000210314 [0,0,0,0,0,1|2,0,0]=3 2624 B14R1.26 CCCCCCO[C@@H]1CCNC(=O)C1 34a_100015189427_100000210314 [0,0,0,0,0,1|2,0,0]=3 2625 B14R1.26 CCCCCOCC1CCCC(=O)N1 34a_200000102386_100000718602 [0,0,0,0,0,1|2,0,0]=3 2626 B14R1.26 CCCCCOCC1CCNC(=O)C1 34a_100009886756_100000718602 [0,0,0,0,0,1|2,0,0]=3 2627 B14R1.26 CCCCCOCC1COCC(=O)N1 34a_200000101122_100000718602 [0,0,0,0,0,1|2,0,0]=3 2628 B14R1.26 CCCCOCCN1CCNC(=O)C1 2230a_100000184651_100000743108 [0,0,0,0,0,1|3,0,0]=4 2629 B14R1.26 CCCCOCCN1CCOC(=O)C1 2230a_100000131268_100000743108 [0,0,0,0,0,1|3,0,0]=4 2630 B14R1.26 CCCCOCNC1CCNC(=O)C1 2230a_100016994916_100011995733 [0,0,0,0,0,1|3,0,0]=4 2631 B14R1.26 CCCCOCNC1CCNC(=O)C1 34a_100016994916_100011995733 [0,0,0,0,0,1|3,0,0]=4 2632 B14R1.26 CCCCOCOC1CCCC(=O)C1 34a_100012613340_100011995733 [0,0,0,0,0,1|3,0,0]=4 2633 B14R1.26 CCCCOCO[C@@H]1CCNC(=O)C1 34a_100015189427_100011995733 [0,0,0,0,0,1|3,0,0]=4 2634 B14R1.26 CCCNCCCN1CCNC(=O)C1 2230a_100000757908_100000210303 [0,0,0,0,0,1|3,0,0]=4 2635 B14R1.26 CCCOCCNC1CCNC(=O)C1 2230a_100016994916_100011215938 [0,0,0,0,0,1|3,0,0]=4 2636 B14R1.26 CCCOCCNC1CCNC(=O)C1 34a_100016994916_100011215938 [0,0,0,0,0,1|3,0,0]=4 2637 B14R1.26 CCCOCCOC1CCCC(=O)C1 34a_100012613340_100011215938 [0,0,0,0,0,1|3,0,0]=4 2638 B14R1.26 CCCOCCO[C@@H]1CCNC(=O)C1 34a_100015189427_100011215938 [0,0,0,0,0,1|3,0,0]=4 2639 B14R1.26 CCOCCCNC1CCNC(=O)C1 2230a_100016994916_100012232248 [0,0,0,0,0,1|3,0,0]=4 2640 B14R1.26 CCOCCCNC1CCNC(=O)C1 34a_100016994916_100012232248 [0,0,0,0,0,1|3,0,0]=4 2641 B14R1.26 CCOCCCOC1CCCC(=O)C1 34a_100012613340_100012232248 [0,0,0,0,0,1|3,0,0]=4 2642 B14R1.26 CCOCCCO[C@@H]1CCNC(=O)C1 34a_100015189427_100012232248 [0,0,0,0,0,1|3,0,0]=4 2643 B14R1.26 CCOCCOCC1CCCC(=O)N1 34a_200000102386_100000210147 [0,0,0,0,0,1|3,0,0]=4 2644 B14R1.26 CCOCCOCC1CCNC(=O)C1 34a_100009886756_100000210147 [0,0,0,0,0,1|3,0,0]=4 2645 B14R1.26 CCOCCOCC1COCC(=O)N1 34a_200000101122_100000210147 [0,0,0,0,0,1|3,0,0]=4 2646 B14R1.26 CCSCCOCC1CCCC(=O)N1 34a_200000102386_100000757381 [0,0,0,0,0,1|3,0,0]=4 2647 B14R1.26 CCSCCOCC1CCNC(=O)C1 34a_100009886756_100000757381 [0,0,0,0,0,1|3,0,0]=4 2648 B14R1.26 CCSCCOCC1COCC(=O)N1 34a_200000101122_100000757381 [0,0,0,0,0,1|3,0,0]=4 2649 B14R1.26 COCCCCNC1CCNC(=O)C1 2230a_100016994916_100000730899 [0,0,0,0,0,1|3,0,0]=4 2650 B14R1.26 COCCCCNC1CCNC(=O)C1 34a_100016994916_100000755781 [0,0,0,0,0,1|3,0,0]=4 2651 B14R1.26 COCCCCOC1CCCC(=O)C1 34a_100012613340_100000755781 [0,0,0,0,0,1|3,0,0]=4 2652 B14R1.26 COCCCCO[C@@H]1CCNC(=O)C1 34a_100015189427_100000755781 [0,0,0,0,0,1|3,0,0]=4 2653 B14R1.26 COCCCOCC1CCCC(=O)N1 34a_200000102386_100000740836 [0,0,0,0,0,1|3,0,0]=4 2654 B14R1.26 COCCCOCC1CCNC(=O)C1 34a_100009886756_100000740836 [0,0,0,0,0,1|3,0,0]=4 2655 B14R1.26 COCCCOCC1COCC(=O)N1 34a_200000101122_100000740836 [0,0,0,0,0,1|3,0,0]=4 2656 B14R1.26 O=C1CC(CCN1)COCCCCF 34a_100009886756_100000729493 [0,0,0,0,0,1|3,0,0]=4 2657 B14R1.26 O=C1CC(CCN1)COCCCCO 34a_100009886756_100011216708 [0,0,0,0,0,1|3,0,0]=4 2658 B14R1.26 O=C1CC(CCN1)NCCCCCF 2230a_100016994916_100000729378 [0,0,0,0,0,1|3,0,0]=4 2659 B14R1.26 O=C1CC(CCN1)NCCCCCF 34a_100016994916_100000729378 [0,0,0,0,0,1|3,0,0]=4 2660 B14R1.26 O=C1CC(CCN1)NCCCCCO 2230a_100016994916_100000746330 [0,0,0,0,0,1|3,0,0]=4 2661 B14R1.26 O=C1CC(CCN1)NCCCCCO 34a_100016994916_100000746330 [0,0,0,0,0,1|3,0,0]=4 2662 B14R1.26 O=C1CCCC(C1)OCCCCCF 34a_100012613340_100000729378 [0,0,0,0,0,1|3,0,0]=4 2663 B14R1.26 O=C1CCCC(C1)OCCCCCO 34a_100012613340_100000746330 [0,0,0,0,0,1|3,0,0]=4 2664 B14R1.26 O=C1CCCC(N1)COCCCCF 34a_200000102386_100000729493 [0,0,0,0,0,1|3,0,0]=4 2665 B14R1.26 O=C1CCCC(N1)COCCCCO 34a_200000102386_100011216708 [0,0,0,0,0,1|3,0,0]=4 2666 B14R1.26 O=C1CN(CCN1)CCCCCCF 2230a_100000184651_100015922095 [0,0,0,0,0,1|3,0,0]=4 2667 B14R1.26 O=C1CN(CCN1)CCCCCCO 2230a_100000184651_100000766143 [0,0,0,0,0,1|3,0,0]=4 2668 B14R1.26 O=C1CN(CCO1)CCCCCCF 2230a_100000131268_100015922095 [0,0,0,0,0,1|3,0,0]=4 2669 B14R1.26 O=C1CN(CCO1)CCCCCCO 2230a_100000131268_100000766143 [0,0,0,0,0,1|3,0,0]=4 2670 B14R1.26 O=C1COCC(N1)COCCCCF 34a_200000101122_100000729493 [0,0,0,0,0,1|3,0,0]=4 2671 B14R1.26 O=C1COCC(N1)COCCCCO 34a_200000101122_100011216708 [0,0,0,0,0,1|3,0,0]=4 2672 B14R1.26 O=C1C[C@@H](CCN1)OCCCCCF 34a_100015189427_100000729378 [0,0,0,0,0,1|3,0,0]=4 2673 B14R1.26 O=C1C[C@@H](CCN1)OCCCCCO 34a_100015189427_100000746330 [0,0,0,0,0,1|3,0,0]=4 2674 B11R0.2 CC(=O)OC(C)SCCCCF 62a_100000729493_100009818208 [1,0,1,0,0,0|2,0,0]=4 2675 B11R0.2 CC(=O)OC(C)SCCCCF 62a_100009818208_100000729493 [1,0,1,0,0,0|2,0,0]=4 2676 B11R0.2 CC(=O)OC(C)SCCCCO 62a_100000210776_100009818208 [1,0,1,0,0,0|2,0,0]=4 2677 B11R0.2 CC(=O)OC(C)SCCCCO 62a_100009818208_100000210776 [1,0,1,0,0,0|2,0,0]=4 2678 B11R0.2 CCCCCCC(C)NC(=O)C 11a_100000210919_100015343762 [1,0,1,0,0,0|1,0,0]=3 2679 B11R0.2 CCCCCCC(C)NC(=O)C 1626a_100000210919_100015343762 [1,0,1,0,0,0|1,0,0]=3 2680 B11R0.2 CCCCCCC(C)NC(=O)C 240690a_100000210919_100015343762 [1,0,1,0,0,0|1,0,0]=3 2681 B11R0.2 CCCCCCC(C)NC(=O)C 527a_100000210919_100103153847 [1,0,1,0,0,0|1,0,0]=3 2682 B11R0.2 CCCCCCC(C)OC(C)C 34a_100000210265_100000210206 [1,0,1,0,0,0|1,0,1]=4 2683 B11R0.2 CCCCCCC(C)OC(C)C 34a_100000212225_100011215978 [1,0,1,0,0,0|1,0,1]=4 2684 B11R0.2 CCCCCCC(C)OC(C)C 7a_100000210265_100000210206 [1,0,1,0,0,0|1,0,1]=4 2685 B11R0.2 CCCCCSC(C)OC(=O)C 62a_100000210326_100009818208 [1,0,1,0,0,0|1,0,0]=3 2686 B11R0.2 CCCCCSC(C)OC(=O)C 62a_100009818208_100000210326 [1,0,1,0,0,0|1,0,0]=3 2687 B11R0.2 CCOCCSC(C)OC(=O)C 62a_100000210147_100009818208 [1,0,1,0,0,0|2,0,0]=4 2688 B11R0.2 CCOCCSC(C)OC(=O)C 62a_100009818208_100011215890 [1,0,1,0,0,0|2,0,0]=4 2689 B11R0.2 CCSCCSC(C)OC(=O)C 62a_100000757381_100009818208 [1,0,1,0,0,0|2,0,0]=4 2690 B11R0.2 CCSCCSC(C)OC(=O)C 62a_100009818208_100000757381 [1,0,1,0,0,0|2,0,0]=4 2691 B11R0.2 COCCCSC(C)OC(=O)C 62a_100000709357_100009818208 [1,0,1,0,0,0|2,0,0]=4 2692 B11R0.2 COCCCSC(C)OC(=O)C 62a_100009818208_100000709357 [1,0,1,0,0,0|2,0,0]=4 2693 B11R0.4 C/C=C/C(C)OCCCCCC 34a_200102604097_100000210314 [1,0,1,0,0,0|2,0,0]=4 2694 B11R0.4 CCCCCCCC(C)NCC 2230a_100015525214_200011218727 [1,0,1,0,0,0|1,0,1]=4 2695 B11R0.4 CCCCCCCC(C)NCC 270004a_100015525214_100000210596 [1,0,1,0,0,0|1,0,1]=4 2696 B11R0.4 CCCCCCCC(C)OCC 34a_100121572206_200011218727 [1,0,1,0,0,0|0,0,1]=3 2697 B11R0.4 CCCCCCCC(C)OCC 34a_200011215852_100000210202 [1,0,1,0,0,0|0,0,1]=3 2698 B11R0.4 CCCCCCCC(C)OCC 7a_200011215852_100000210202 [1,0,1,0,0,0|0,0,1]=3 2699 B11R0.4 CCCCCCCC(C)OCF 34a_200011215852_100015361967 [1,0,1,0,0,0|1,0,1]=4 2700 B11R0.4 CCCCCCCC(C)OCF 7a_200011215852_100015361967 [1,0,1,0,0,0|1,0,1]=4 2701 B11R0.4 CCCCCCCC(C)SCC 62a_100000210202_200011218727 [1,0,1,0,0,0|0,1,1]=4 2702 B11R0.4 CCCCCCCC(C)SCC 62a_200011218727_100000210202 [1,0,1,0,0,0|0,1,1]=4 2703 B11R0.4 CCCCCCCN(C)CC=O 2230a_100000228206_200015260668 [1,0,1,0,0,0|2,0,0]=4 2704 B11R0.4 CCCCCCCN(C)CC=O 269982a_100000228206_200015260668 [1,0,1,0,0,0|2,0,0]=4 2705 B11R0.148 CC(=O)CCCCCCCCO 1458a_100000070787_100000033203 [1,0,1,0,0,0|2,0,0]=4 2706 B11R0.148 CC(=O)NCCCCCCCO 240690a_100011996573_100015343762 [1,0,1,0,0,0|2,0,0]=4 2707 B11R0.148 CC(=O)NCCCCCCN[13CH3] 2230a_200011996284_200025704644 [1,0,1,0,0,0|2,0,0]=4 2708 B11R0.148 CC(=O)NCCCCCCN[13CH3] 34a_200011996284_200025704644 [1,0,1,0,0,0|2,0,0]=4 2709 B11R0.148 CC(=O)OCCCCCSCF 62a_100000033007_100015361967 [1,0,1,0,0,0|2,0,0]=4 2710 B11R0.148 CC(=O)OCCCCCSCF 62a_100015361967_100000033007 [1,0,1,0,0,0|2,0,0]=4 2711 B11R0.148 CC(=O)OCCCCNCCF 34a_100000724931_100000033659 [1,0,1,0,0,0|2,0,0]=4 2712 B11R0.148 CC(=O)OCCCCNCCO 34a_100016990907_100000033659 [1,0,1,0,0,0|2,0,0]=4 2713 B11R0.148 CC(=O)OCCCCOCCBr 34a_100000211926_100000033659 [1,0,1,0,0,0|2,0,0]=4 2714 B11R0.148 CC(=O)OCCCCOCCF 34a_100000073216_100011217306 [1,0,1,0,0,0|2,0,0]=4 2715 B11R0.148 CC(=O)OCCCCOCCF 7a_100000073216_100011217306 [1,0,1,0,0,0|2,0,0]=4 2716 B11R0.148 CC(=O)OCCCCOCCN 34a_100000210304_100000033659 [1,0,1,0,0,0|2,0,0]=4 2717 B11R0.148 CC(=O)OCCCCOCCO 34a_100000073216_100000211926 [1,0,1,0,0,0|2,0,0]=4 2718 B11R0.148 CC(=O)OCCCCOCCO 7a_100000073216_100000211926 [1,0,1,0,0,0|2,0,0]=4 2719 B11R0.148 CC(=O)OCCCCSCCF 62a_100000033659_100011217306 [1,0,1,0,0,0|2,0,0]=4 2720 B11R0.148 CC(=O)OCCCCSCCF 62a_100011217306_100000033659 [1,0,1,0,0,0|2,0,0]=4 2721 B11R0.148 CC(=O)OCCCCSCCO 62a_100000033659_100000211926 [1,0,1,0,0,0|2,0,0]=4 2722 B11R0.148 CC(=O)OCCCCSCCO 62a_100000211926_100000033659 [1,0,1,0,0,0|2,0,0]=4 2723 B11R0.148 CC(=O)OCCCNCCCF 34a_100015189416_100000042594 [1,0,1,0,0,0|2,0,0]=4 2724 B11R0.148 CC(=O)OCCCOCCCBr 34a_100011217188_100000042594 [1,0,1,0,0,0|2,0,0]=4 2725 B11R0.148 CC(=O)OCCCOCCCCl 34a_100000230001_100000042594 [1,0,1,0,0,0|2,0,0]=4 2726 B11R0.148 CC(=O)OCCCOCCCF 34a_100000759539_100000042594 [1,0,1,0,0,0|2,0,0]=4 2727 B11R0.148 CC(=O)OCCCOCCCN 34a_100000182051_100000042594 [1,0,1,0,0,0|2,0,0]=4 2728 B11R0.148 CC(=O)OCCCSCCCF 62a_100000042594_100011934791 [1,0,1,0,0,0|2,0,0]=4 2729 B11R0.148 CC(=O)OCCCSCCCF 62a_100011934791_100000042594 [1,0,1,0,0,0|2,0,0]=4 2730 B11R0.148 CC(=O)OCCCSCCCO 62a_100000042594_100011215043 [1,0,1,0,0,0|2,0,0]=4 2731 B11R0.148 CC(=O)OCCCSCCCO 62a_100011215043_100000042594 [1,0,1,0,0,0|2,0,0]=4 2732 B11R0.148 CC(=O)OCCNCCCCO 34a_100000750430_100009814007 [1,0,1,0,0,0|2,0,0]=4 2733 B11R0.148 CC(=O)OCCOCCCCBr 34a_100011216708_100009814007 [1,0,1,0,0,0|2,0,0]=4 2734 B11R0.148 CC(=O)OCCOCCCCCl 34a_100000210776_100009814007 [1,0,1,0,0,0|2,0,0]=4 2735 B11R0.148 CC(=O)OCCOCCCCCl 7a_100000210776_100009814007 [1,0,1,0,0,0|2,0,0]=4 2736 B11R0.148 CC(=O)OCCOCCCCF 34a_100011995726_100009814007 [1,0,1,0,0,0|2,0,0]=4 2737 B11R0.148 CC(=O)OCCOCCCCF 7a_100011995726_100009814007 [1,0,1,0,0,0|2,0,0]=4 2738 B11R0.148 CC(=O)OCCOCCCCI 34a_200012148704_100009814007 [1,0,1,0,0,0|2,0,0]=4 2739 B11R0.148 CC(=O)OCCOCCCCN 34a_100000750430_100009814007 [1,0,1,0,0,0|2,0,0]=4 2740 B11R0.148 CC(=O)OCCSCCCCF 62a_100000729493_100009814007 [1,0,1,0,0,0|2,0,0]=4 2741 B11R0.148 CC(=O)OCCSCCCCF 62a_100009814007_100000729493 [1,0,1,0,0,0|2,0,0]=4 2742 B11R0.148 CC(=O)OCCSCCCCO 62a_100000210776_100009814007 [1,0,1,0,0,0|2,0,0]=4 2743 B11R0.148 CC(=O)OCCSCCCCO 62a_100009814007_100000210776 [1,0,1,0,0,0|2,0,0]=4 2744 B11R0.148 CC(=O)OCNCCCCCO 34a_100000762737_100009813279 [1,0,1,0,0,0|2,0,0]=4 2745 B11R0.148 CC(=O)OCOCCCCCBr 34a_100000746331_100009813279 [1,0,1,0,0,0|2,0,0]=4 2746 B11R0.148 CC(=O)OCOCCCCCCl 34a_100000746330_100009813279 [1,0,1,0,0,0|2,0,0]=4 2747 B11R0.148 CC(=O)OCOCCCCCI 34a_200012148887_100009813279 [1,0,1,0,0,0|2,0,0]=4 2748 B11R0.148 CC(=O)OCOCCCCCN 34a_100000762737_100009813279 [1,0,1,0,0,0|2,0,0]=4 2749 B11R0.148 CC(=O)OCSCCCCCF 62a_100000076356_100000729378 [1,0,1,0,0,0|2,0,0]=4 2750 B11R0.148 CC(=O)OCSCCCCCF 62a_100000729378_100000076356 [1,0,1,0,0,0|2,0,0]=4 2751 B11R0.148 CC(=O)OCSCCCCCO 62a_100000076356_100000746330 [1,0,1,0,0,0|2,0,0]=4 2752 B11R0.148 CC(=O)OCSCCCCCO 62a_100000746330_100000076356 [1,0,1,0,0,0|2,0,0]=4 2753 B11R0.148 CCCCCCCC=CC(=O)C 1458a_200015332781_200000210301 [1,0,1,0,0,0|1,0,1]=4 2754 B11R0.148 CCCCCCCC=CC(=O)[13CH3] 1458a_200015332781_200025704644 [1,0,1,0,0,0|1,0,1]=4 2755 B11R0.148 CCCCCCCCCC(=O)C 1458a_100000070787_100000210670 [1,0,1,0,0,0|1,0,0]=3 2756 B11R0.148 CCCCCCCCCC(=O)C 1458a_100000210558_200000210301 [1,0,1,0,0,0|1,0,0]=3 2757 B11R0.148 CCCCCCCCCC(=O)[13CH3] 1458a_100000210558_200025704644 [1,0,1,0,0,0|1,0,0]=3 2758 B11R0.148 CCCCCCCCNC(=O)C 11a_100000229939_100015343762 [1,0,1,0,0,0|1,0,0]=3 2759 B11R0.148 CCCCCCCCNC(=O)C 1626a_100000229939_100015343762 [1,0,1,0,0,0|1,0,0]=3 2760 B11R0.148 CCCCCCCCNC(=O)C 240690a_100000229939_100015343762 [1,0,1,0,0,0|1,0,0]=3 2761 B11R0.148 CCCCCCCCNC(=O)C 527a_100000229939_100103153847 [1,0,1,0,0,0|1,0,0]=3 2762 B11R0.148 CCCCCCCCOC(C)C 34a_100000210232_100000210206 [1,0,1,0,0,0|1,0,1]=4 2763 B11R0.148 CCCCCCCCOC(C)C 34a_100000212225_100000210759 [1,0,1,0,0,0|1,0,1]=4 2764 B11R0.148 CCCCCCCCOC(C)C 7a_100000210232_100000210206 [1,0,1,0,0,0|1,0,1]=4 2765 B11R0.148 CCCCCCCNCC(=O)N 2230a_100000229938_100000747473 [1,0,1,0,0,0|2,0,0]=4 2766 B11R0.148 CCCCCCCNCC(=O)N 2230a_100000711301_100000210681 [1,0,1,0,0,0|2,0,0]=4 2767 B11R0.148 CCCCCCCNCC(=O)O 269956a_100016091260_100000210614 [1,0,1,0,0,0|1,0,0]=3 2768 B11R0.148 CCCCCCCOCC(=O)C 34a_100000211253_100000210614 [1,0,1,0,0,0|2,0,0]=4 2769 B11R0.148 CCCCCCCOCC(=O)N 34a_100000210272_100000187820 [1,0,1,0,0,0|2,0,0]=4 2770 B11R0.148 CCCCCCCOCC(=O)N 7a_100000210272_100000187820 [1,0,1,0,0,0|2,0,0]=4 2771 B11R0.148 CCCCCCCOCC(=O)[O-] 34a_100000210272_100020667443 [1,0,1,0,0,0|1,0,1]=4 2772 B11R0.148 CCCCCCCSCC(=O)N 62a_100000210614_100000747473 [1,0,1,0,0,0|2,0,0]=4 2773 B11R0.148 CCCCCCCSCC(=O)N 62a_100000747473_100000210316 [1,0,1,0,0,0|2,0,0]=4 2774 B11R0.148 CCCCCCCSCC(=O)[O-] 62a_100000210614_100020667443 [1,0,1,0,0,0|1,0,1]=4 2775 B11R0.148 CCCCCCCSCC(=O)[O-] 62a_100020667443_100000210316 [1,0,1,0,0,0|1,0,1]=4 2776 B11R0.148 CCCCCCNCCC(=O)N 2230a_100000210581_100000744528 [1,0,1,0,0,0|2,0,0]=4 2777 B11R0.148 CCCCCCNOCC(=O)O 269956a_100000106656_100000210757 [1,0,1,0,0,0|2,0,0]=4 2778 B11R0.148 CCCCCCOCCC(=O)C 34a_100000759926_100000210314 [1,0,1,0,0,0|2,0,0]=4 2779 B11R0.148 CCCCCCOCCC(=O)C 7a_100000210259_100000053229 [1,0,1,0,0,0|2,0,0]=4 2780 B11R0.148 CCCCCCOCCC(=O)C 7a_100000759926_100000210314 [1,0,1,0,0,0|2,0,0]=4 2781 B11R0.148 CCCCCCOCCC(=O)N 34a_100000210259_100000731001 [1,0,1,0,0,0|2,0,0]=4 2782 B11R0.148 CCCCCCOCCC(=O)N 34a_100000757172_100000210314 [1,0,1,0,0,0|2,0,0]=4 2783 B11R0.148 CCCCCCOCCC(=O)N 7a_100000210259_100000744528 [1,0,1,0,0,0|2,0,0]=4 2784 B11R0.148 CCCCCCOCCC(=O)N 7a_100000757172_100000210314 [1,0,1,0,0,0|2,0,0]=4 2785 B11R0.148 CCCCCCOCOC(=O)C 34a_100000210259_100009813279 [1,0,1,0,0,0|1,0,0]=3 2786 B11R0.148 CCCCCCSCCC(=O)C 62a_100000053229_100000210757 [1,0,1,0,0,0|2,0,0]=4 2787 B11R0.148 CCCCCCSCCC(=O)C 62a_100000210314_100000053229 [1,0,1,0,0,0|2,0,0]=4 2788 B11R0.148 CCCCCCSCCC(=O)N 62a_100000210314_100000744528 [1,0,1,0,0,0|2,0,0]=4 2789 B11R0.148 CCCCCCSCCC(=O)N 62a_100000744528_100000210757 [1,0,1,0,0,0|2,0,0]=4 2790 B11R0.148 CCCCCCSCOC(=O)C 62a_100000076356_100000210757 [1,0,1,0,0,0|1,0,0]=3 2791 B11R0.148 CCCCCCSCOC(=O)C 62a_100000210314_100000076356 [1,0,1,0,0,0|1,0,0]=3 2792 B11R0.148 CCCCCNCCCC(=O)N 34a_100000739312_100000718602 [1,0,1,0,0,0|2,0,0]=4 2793 B11R0.148 CCCCCNCCNC(=O)C 2230a_100000209853_100000210326 [1,0,1,0,0,0|2,0,0]=4 2794 B11R0.148 CCCCCNCCNC(=O)C 2230a_100000209983_100000189650 [1,0,1,0,0,0|2,0,0]=4 2795 B11R0.148 CCCCCOCCCC(=O)C 34a_100000210253_100000685027 [1,0,1,0,0,0|2,0,0]=4 2796 B11R0.148 CCCCCOCCCC(=O)C 34a_100000759063_100000718602 [1,0,1,0,0,0|2,0,0]=4 2797 B11R0.148 CCCCCOCCCC(=O)C 7a_100000210253_100011215641 [1,0,1,0,0,0|2,0,0]=4 2798 B11R0.148 CCCCCOCCCC(=O)C 7a_100000759063_100000210326 [1,0,1,0,0,0|2,0,0]=4 2799 B11R0.148 CCCCCOCCCC(=O)N 34a_100000210253_100102525003 [1,0,1,0,0,0|2,0,0]=4 2800 B11R0.148 CCCCCOCCCC(=O)N 7a_100000210253_100102525003 [1,0,1,0,0,0|2,0,0]=4 2801 B11R0.148 CCCCCOCCNC(=O)C 34a_100000158858_100000718602 [1,0,1,0,0,0|2,0,0]=4 2802 B11R0.148 CCCCCOCCNC(=O)C 7a_100000210253_100000189650 [1,0,1,0,0,0|2,0,0]=4 2803 B11R0.148 CCCCCOCCOC(=O)C 34a_100000210253_100009814007 [1,0,1,0,0,0|1,0,0]=3 2804 B11R0.148 CCCCCOCCOC(=O)C 7a_100000210253_100009814007 [1,0,1,0,0,0|1,0,0]=3 2805 B11R0.148 CCCCCOCCOC(=O)N 34a_100000210253_200011214921 [1,0,1,0,0,0|2,0,0]=4 2806 B11R0.148 CCCCCOCCOC(=O)N 7a_100000210253_200011214921 [1,0,1,0,0,0|2,0,0]=4 2807 B11R0.148 CCCCCOCCOC(=O)N 7a_100000766696_100000210326 [1,0,1,0,0,0|2,0,0]=4 2808 B11R0.148 CCCCCSCCCC(=O)C 62a_100000210326_100011215641 [1,0,1,0,0,0|2,0,0]=4 2809 B11R0.148 CCCCCSCCCC(=O)C 62a_100011215641_100000210326 [1,0,1,0,0,0|2,0,0]=4 2810 B11R0.148 CCCCCSCCCC(=O)N 62a_100000210326_100102525003 [1,0,1,0,0,0|2,0,0]=4 2811 B11R0.148 CCCCCSCCCC(=O)N 62a_100102525003_100000210326 [1,0,1,0,0,0|2,0,0]=4 2812 B11R0.148 CCCCCSCCNC(=O)C 62a_100000189650_100000210326 [1,0,1,0,0,0|2,0,0]=4 2813 B11R0.148 CCCCCSCCNC(=O)C 62a_100000210326_100000189650 [1,0,1,0,0,0|2,0,0]=4 2814 B11R0.148 CCCCCSCCOC(=O)C 62a_100000210326_100009814007 [1,0,1,0,0,0|1,0,0]=3 2815 B11R0.148 CCCCCSCCOC(=O)C 62a_100009814007_100000210326 [1,0,1,0,0,0|1,0,0]=3 2816 B11R0.148 CCCCCSCCOC(=O)N 62a_100000210326_200011214921 [1,0,1,0,0,0|2,0,0]=4 2817 B11R0.148 CCCCCSCCOC(=O)N 62a_200011214921_100000210326 [1,0,1,0,0,0|2,0,0]=4 2818 B11R0.148 CCCCNCCCCC(=O)C 7a_106832991798_100000735457 [1,0,1,0,0,0|2,0,0]=4 2819 B11R0.148 CCCCNCCCCC(=O)N 34a_100000696515_100000210210 [1,0,1,0,0,0|2,0,0]=4 2820 B11R0.148 CCCCNCCCNC(=O)C 34a_100000736810_100000210210 [1,0,1,0,0,0|2,0,0]=4 2821 B11R0.148 CCCCNCCCOC(=O)C 7a_106832991798_100000042594 [1,0,1,0,0,0|1,0,0]=3 2822 B11R0.148 CCCCNCCCOC(=S)C 2230a_100000102301_200135323944 [1,0,1,0,0,0|1,1,0]=4 2823 B11R0.148 CCCCNCCCOC(=S)C 7a_106832991798_200135323944 [1,0,1,0,0,0|1,1,0]=4 2824 B11R0.148 CCCCNCCCSC(=O)C 2230a_100000102301_100000038929 [1,0,1,0,0,0|1,1,0]=4 2825 B11R0.148 CCCCNCCCSC(=O)C 7a_106832991798_100000038929 [1,0,1,0,0,0|1,1,0]=4 2826 B11R0.148 CCCCNCCOCC(=O)O 269956a_100000700818_100000210211 [1,0,1,0,0,0|2,0,0]=4 2827 B11R0.148 CCCCOCCCCC(=O)C 34a_100000210227_100009817362 [1,0,1,0,0,0|2,0,0]=4 2828 B11R0.148 CCCCOCCCCC(=O)C 7a_100000210227_100000735457 [1,0,1,0,0,0|2,0,0]=4 2829 B11R0.148 CCCCOCCCCC(=O)N 34a_100012022536_100000210210 [1,0,1,0,0,0|2,0,0]=4 2830 B11R0.148 CCCCOCCCCC(=O)N 7a_100012022536_100000210211 [1,0,1,0,0,0|2,0,0]=4 2831 B11R0.148 CCCCOCCCNC(=O)C 1626a_200000211371_100015343762 [1,0,1,0,0,0|2,0,0]=4 2832 B11R0.148 CCCCOCCCNC(=O)C 240690a_200000211371_100015343762 [1,0,1,0,0,0|2,0,0]=4 2833 B11R0.148 CCCCOCCCNC(=O)C 34a_100000752032_100000210210 [1,0,1,0,0,0|2,0,0]=4 2834 B11R0.148 CCCCOCCCNC(=O)C 527a_200000211371_100103153847 [1,0,1,0,0,0|2,0,0]=4 2835 B11R0.148 CCCCOCCCOC(=O)C 34a_100000210227_100000042594 [1,0,1,0,0,0|1,0,0]=3 2836 B11R0.148 CCCCOCCCOC(=O)C 7a_100000210227_100000042594 [1,0,1,0,0,0|1,0,0]=3 2837 B11R0.148 CCCCOCCCOC(=S)C 34a_100000210227_200135323944 [1,0,1,0,0,0|1,1,0]=4 2838 B11R0.148 CCCCOCCCOC(=S)C 7a_100000210227_200135323944 [1,0,1,0,0,0|1,1,0]=4 2839 B11R0.148 CCCCOCCCSC(=O)C 34a_100000210227_100000038929 [1,0,1,0,0,0|1,1,0]=4 2840 B11R0.148 CCCCOCCCSC(=O)C 7a_100000210227_100000038929 [1,0,1,0,0,0|1,1,0]=4 2841 B11R0.148 CCCCOCCNCC(=O)O 269956a_100016091260_100000743108 [1,0,1,0,0,0|2,0,0]=4 2842 B11R0.148 CCCCOCSCOC(=O)C 62a_100000076356_100011995733 [1,0,1,0,0,0|2,0,0]=4 2843 B11R0.148 CCCCOCSCOC(=O)C 62a_100011995733_100000076356 [1,0,1,0,0,0|2,0,0]=4 2844 B11R0.148 CCCCSCCCCC(=O)C 62a_100000210211_100000735457 [1,0,1,0,0,0|2,0,0]=4 2845 B11R0.148 CCCCSCCCCC(=O)C 62a_100000735457_100000210210 [1,0,1,0,0,0|2,0,0]=4 2846 B11R0.148 CCCCSCCCOC(=O)C 62a_100000042594_100000210210 [1,0,1,0,0,0|1,0,0]=3 2847 B11R0.148 CCCCSCCCOC(=O)C 62a_100000210211_100000042594 [1,0,1,0,0,0|1,0,0]=3 2848 B11R0.148 CCCCSCCCOC(=S)C 62a_100000210211_200135323944 [1,0,1,0,0,0|1,1,0]=4 2849 B11R0.148 CCCCSCCCOC(=S)C 62a_200135323944_100000210210 [1,0,1,0,0,0|1,1,0]=4 2850 B11R0.148 CCCCSCCCSC(=O)C 62a_100000038929_100000210210 [1,0,1,0,0,0|1,1,0]=4 2851 B11R0.148 CCCCSCCCSC(=O)C 62a_100000210211_100000038929 [1,0,1,0,0,0|1,1,0]=4 2852 B11R0.148 CCCNCCCCNC(=O)C 2230a_200011368371_100000210303 [1,0,1,0,0,0|2,0,0]=4 2853 B11R0.148 CCCNCCCCNC(=O)C 34a_200011368371_100000210303 [1,0,1,0,0,0|2,0,0]=4 2854 B11R0.148 CCCOCCCCCC(=O)N 34a_100000123541_100000210303 [1,0,1,0,0,0|2,0,0]=4 2855 B11R0.148 CCCOCCCCCC(=O)N 34a_100000210258_100009817443 [1,0,1,0,0,0|2,0,0]=4 2856 B11R0.148 CCCOCCCCCC(=O)N 7a_100000123541_100000210303 [1,0,1,0,0,0|2,0,0]=4 2857 B11R0.148 CCCOCCCCCC(=O)[O-] 7a_100102619762_100000210303 [1,0,1,0,0,0|1,0,1]=4 2858 B11R0.148 CCCOCCCCOC(=O)C 34a_100000073216_100000210303 [1,0,1,0,0,0|1,0,0]=3 2859 B11R0.148 CCCOCCCCOC(=O)C 34a_100000210258_100000033659 [1,0,1,0,0,0|1,0,0]=3 2860 B11R0.148 CCCOCCCCOC(=O)C 7a_100000073216_100000210303 [1,0,1,0,0,0|1,0,0]=3 2861 B11R0.148 CCCOCCCCSC(=O)C 34a_100000210258_200010402107 [1,0,1,0,0,0|1,1,0]=4 2862 B11R0.148 CCCOCCNCOC(=O)C 34a_100161115042_100009813279 [1,0,1,0,0,0|2,0,0]=4 2863 B11R0.148 CCCOCCOCOC(=O)C 34a_100000752267_100009813279 [1,0,1,0,0,0|2,0,0]=4 2864 B11R0.148 CCCOCCSCOC(=O)C 62a_100000076356_100011215938 [1,0,1,0,0,0|2,0,0]=4 2865 B11R0.148 CCCOCCSCOC(=O)C 62a_100011215938_100000076356 [1,0,1,0,0,0|2,0,0]=4 2866 B11R0.148 CCCOCOCCOC(=O)C 34a_100000210258_100000076355 [1,0,1,0,0,0|2,0,0]=4 2867 B11R0.148 CCCSCCCCCC(=O)N 62a_100000210303_100009817443 [1,0,1,0,0,0|2,0,0]=4 2868 B11R0.148 CCCSCCCCCC(=O)N 62a_100009817443_100000210303 [1,0,1,0,0,0|2,0,0]=4 2869 B11R0.148 CCCSCCCCOC(=O)C 62a_100000033659_100000210303 [1,0,1,0,0,0|1,0,0]=3 2870 B11R0.148 CCCSCCCCOC(=O)C 62a_100000210303_100000033659 [1,0,1,0,0,0|1,0,0]=3 2871 B11R0.148 CCCSCCCCSC(=O)C 62a_100000210303_200010402107 [1,0,1,0,0,0|1,1,0]=4 2872 B11R0.148 CCCSCCCCSC(=O)C 62a_200010402107_100000210303 [1,0,1,0,0,0|1,1,0]=4 2873 B11R0.148 CCCSCCOCOC(=O)C 34a_200000230433_100009813279 [1,0,1,0,0,0|2,0,0]=4 2874 B11R0.148 CCCSCOCCOC(=O)C 62a_100000076355_100000210303 [1,0,1,0,0,0|2,0,0]=4 2875 B11R0.148 CCCSCOCCOC(=O)C 62a_100000210303_100000076355 [1,0,1,0,0,0|2,0,0]=4 2876 B11R0.148 CCNCCCCCNC(=O)C 2230a_200012022750_100000210202 [1,0,1,0,0,0|2,0,0]=4 2877 B11R0.148 CCNCCCCCNC(=O)C 34a_200012022750_100000210202 [1,0,1,0,0,0|2,0,0]=4 2878 B11R0.148 CCNCCCCCOC(=O)C 2230a_100015525214_100009813381 [1,0,1,0,0,0|1,0,0]=3 2879 B11R0.148 CCNCCOCCOC(=O)C 2230a_100015525214_200000083610 [1,0,1,0,0,0|2,0,0]=4 2880 B11R0.148 CCOCCCCCOC(=O)C 34a_100121572206_100000033007 [1,0,1,0,0,0|1,0,0]=3 2881 B11R0.148 CCOCCCNCOC(=O)C 34a_100000210961_100009813279 [1,0,1,0,0,0|2,0,0]=4 2882 B11R0.148 CCOCCCOCOC(=O)C 34a_100000757476_100009813279 [1,0,1,0,0,0|2,0,0]=4 2883 B11R0.148 CCOCCCSCOC(=O)C 62a_100000076356_100012232248 [1,0,1,0,0,0|2,0,0]=4 2884 B11R0.148 CCOCCCSCOC(=O)C 62a_100012232248_100000076356 [1,0,1,0,0,0|2,0,0]=4 2885 B11R0.148 CCOCCNCCOC(=O)C 34a_102516460346_100009814007 [1,0,1,0,0,0|2,0,0]=4 2886 B11R0.148 CCOCCOCCOC(=O)C 34a_100000210136_100009814007 [1,0,1,0,0,0|2,0,0]=4 2887 B11R0.148 CCOCCOCCOC(=O)C 34a_100121572206_200000083610 [1,0,1,0,0,0|2,0,0]=4 2888 B11R0.148 CCOCCOCCOC(=O)C 7a_100000210136_100009814007 [1,0,1,0,0,0|2,0,0]=4 2889 B11R0.148 CCOCCSCCOC(=O)C 62a_100000210147_100009814007 [1,0,1,0,0,0|2,0,0]=4 2890 B11R0.148 CCOCCSCCOC(=O)C 62a_100009814007_100011215890 [1,0,1,0,0,0|2,0,0]=4 2891 B11R0.148 CCOCSCCCOC(=O)C 62a_100000042594_100000739092 [1,0,1,0,0,0|2,0,0]=4 2892 B11R0.148 CCOCSCCCOC(=O)C 62a_100000739092_100000042594 [1,0,1,0,0,0|2,0,0]=4 2893 B11R0.148 CCSCCCCCOC(=O)C 62a_100000033007_100000210202 [1,0,1,0,0,0|1,0,0]=3 2894 B11R0.148 CCSCCCCCOC(=O)C 62a_100000210202_100000033007 [1,0,1,0,0,0|1,0,0]=3 2895 B11R0.148 CCSCCCOCOC(=O)C 34a_100011216438_100009813279 [1,0,1,0,0,0|2,0,0]=4 2896 B11R0.148 CCSCCOCCOC(=O)C 34a_100000212035_100009814007 [1,0,1,0,0,0|2,0,0]=4 2897 B11R0.148 CCSCCOCCOC(=O)C 62a_100000210202_200000083610 [1,0,1,0,0,0|2,0,0]=4 2898 B11R0.148 CCSCCOCCOC(=O)C 62a_200000083610_100000210202 [1,0,1,0,0,0|2,0,0]=4 2899 B11R0.148 CCSCCOCCOC(=O)C 7a_100000212035_100009814007 [1,0,1,0,0,0|2,0,0]=4 2900 B11R0.148 CCSCCSCCOC(=O)C 62a_100000757381_100009814007 [1,0,1,0,0,0|2,0,0]=4 2901 B11R0.148 CCSCCSCCOC(=O)C 62a_100009814007_100000757381 [1,0,1,0,0,0|2,0,0]=4 2902 B11R0.148 CNCCCCCCNC(=O)C 2230a_200011996284_200000210301 [1,0,1,0,0,0|2,0,0]=4 2903 B11R0.148 CNCCCCCCNC(=O)C 34a_200011996284_200000210301 [1,0,1,0,0,0|2,0,0]=4 2904 B11R0.148 CNCCCOCCOC(=O)C 34a_100000213112_100009814007 [1,0,1,0,0,0|2,0,0]=4 2905 B11R0.148 COCCCCOCOC(=O)C 34a_100000740925_100009813279 [1,0,1,0,0,0|2,0,0]=4 2906 B11R0.148 COCCCCSCOC(=O)C 62a_100000076356_100000730899 [1,0,1,0,0,0|2,0,0]=4 2907 B11R0.148 COCCCCSCOC(=O)C 62a_100000730899_100000076356 [1,0,1,0,0,0|2,0,0]=4 2908 B11R0.148 COCCCNCCOC(=O)C 34a_100150723488_100009814007 [1,0,1,0,0,0|2,0,0]=4 2909 B11R0.148 COCCCOCCOC(=O)C 34a_100000740835_100009814007 [1,0,1,0,0,0|2,0,0]=4 2910 B11R0.148 COCCCSCCOC(=O)C 62a_100000709357_100009814007 [1,0,1,0,0,0|2,0,0]=4 2911 B11R0.148 COCCCSCCOC(=O)C 62a_100009814007_100000709357 [1,0,1,0,0,0|2,0,0]=4 2912 B11R0.148 COCCOCCCOC(=O)C 34a_100000210237_100000042594 [1,0,1,0,0,0|2,0,0]=4 2913 B11R0.148 COCCSCCCOC(=O)C 62a_100000042594_100000233755 [1,0,1,0,0,0|2,0,0]=4 2914 B11R0.148 COCCSCCCOC(=O)C 62a_100000233755_100000042594 [1,0,1,0,0,0|2,0,0]=4 2915 B11R0.148 COCSCCCCOC(=O)C 62a_100000033659_100000766300 [1,0,1,0,0,0|2,0,0]=4 2916 B11R0.148 COCSCCCCOC(=O)C 62a_100000766300_100000033659 [1,0,1,0,0,0|2,0,0]=4 2917 B11R0.148 CSCCCCOCOC(=O)C 34a_100011217163_100009813279 [1,0,1,0,0,0|2,0,0]=4 2918 B11R0.148 CSCCCOCCOC(=O)C 34a_100000690336_100009814007 [1,0,1,0,0,0|2,0,0]=4 2919 B11R0.148 CSCCCOCCOC(=O)C 7a_100000690336_100009814007 [1,0,1,0,0,0|2,0,0]=4 2920 B11R0.148 CSCCOCCCOC(=O)C 34a_100000230434_100000042594 [1,0,1,0,0,0|2,0,0]=4 2921 B11R0.148 CSCCOCCCOC(=O)C 7a_100000230434_100000042594 [1,0,1,0,0,0|2,0,0]=4 2922 B11R0.148 CSCCSCCCOC(=O)C 62a_100000042594_100000751147 [1,0,1,0,0,0|2,0,0]=4 2923 B11R0.148 CSCCSCCCOC(=O)C 62a_100000212216_100000042594 [1,0,1,0,0,0|2,0,0]=4 2924 B11R0.148 CSCOCCCCOC(=O)C 34a_100000073216_100011218213 [1,0,1,0,0,0|2,0,0]=4 2925 B11R0.148 CSCSCCCCOC(=O)C 62a_100000033659_100011218213 [1,0,1,0,0,0|2,0,0]=4 2926 B11R0.148 CSCSCCCCOC(=O)C 62a_100011218213_100000033659 [1,0,1,0,0,0|2,0,0]=4 2927 B11R0.148 O=C(O)CNCCCCCCF 269956a_100016091260_100015922095 [1,0,1,0,0,0|2,0,0]=4 2928 B11R0.148 O=C(O)CNCCCCCCO 269956a_100016091260_100000766143 [1,0,1,0,0,0|2,0,0]=4 2929 B11R0.124 C=CC(CC)OCCCCCC 34a_100000766422_100000210314 [1,0,1,0,0,0|2,0,0]=4 2930 B11R0.124 C=CC(CC)OCCCCCC 7a_100000766422_100000210314 [1,0,1,0,0,0|2,0,0]=4 2931 B11R0.124 C=CC(CCCCCCC)OC 34a_200011934235_200000210301 [1,0,1,0,0,0|2,0,0]=4 2932 B11R0.124 C=CC(CCCCCCC)OC 7a_200011934235_200000210301 [1,0,1,0,0,0|2,0,0]=4 2933 B11R0.124 C=CC(CCCCCCC)O[13CH3] 34a_200011934235_200025704644 [1,0,1,0,0,0|2,0,0]=4 2934 B11R0.124 C=CC(CCCCCCC)O[13CH3] 7a_200011934235_200025704644 [1,0,1,0,0,0|2,0,0]=4 2935 B11R0.124 CCCCCCCC(CC)NC 270004a_106832991635_200011217162 [1,0,1,0,0,0|1,0,1]=4 2936 B11R0.124 CCCCCCCC(CC)OC 34a_200011217053_200000210301 [1,0,1,0,0,0|0,0,1]=3 2937 B11R0.124 CCCCCCCC(CC)OC 7a_200011217053_200000210301 [1,0,1,0,0,0|0,0,1]=3 2938 B11R0.124 CCCCCCCC(CC)O[13CH3] 34a_200011217053_200025704644 [1,0,1,0,0,0|0,0,1]=3 2939 B11R0.124 CCCCCCCC(CC)O[13CH3] 7a_200011217053_200025704644 [1,0,1,0,0,0|0,0,1]=3 2940 B11R0.124 CCCCCOCC(CC)OC 34a_100011934954_100000718602 [1,0,1,0,0,0|1,0,1]=4 2941 B11R0.124 CCCCCOCC(CC)OC 7a_100011934954_100000210326 [1,0,1,0,0,0|1,0,1]=4 2942 B11R0.161 CCCCCCC(CC)OCC 34a_100011215785_100000210202 [1,0,1,0,0,0|1,0,1]=4 2943 B11R0.161 CCCCCCC(CC)OCC 7a_100011215785_100000210202 [1,0,1,0,0,0|1,0,1]=4 2944 B11R0.161 CCCCCCC(CC)OCF 34a_100011215785_100015361967 [1,0,1,0,0,0|1,0,1]=4 2945 B11R0.161 CCCCCCC(CC)OCF 7a_100011215785_100015361967 [1,0,1,0,0,0|1,0,1]=4 2946 B11R0.3 C=CCCCCCCCCNC 2230a_106832991635_100011933949 [1,0,1,0,0,0|2,0,0]=4 2947 B11R0.3 C=CCCCCCCCCNC 34a_100102657272_100011933949 [1,0,1,0,0,0|2,0,0]=4 2948 B11R0.3 C=CCCCCCCCCNC 7a_106832991635_100011933949 [1,0,1,0,0,0|2,0,0]=4 2949 B11R0.3 C=CCCCCCCCCOC 34a_100011215194_200000210301 [1,0,1,0,0,0|2,0,0]=4 2950 B11R0.3 C=CCCCCCCCCOC 34a_100138415774_100011933949 [1,0,1,0,0,0|2,0,0]=4 2951 B11R0.3 C=CCCCCCCCCOC 7a_100011215194_200000210301 [1,0,1,0,0,0|2,0,0]=4 2952 B11R0.3 C=CCCCCCCCCO[13CH3] 34a_100011215194_200025704644 [1,0,1,0,0,0|2,0,0]=4 2953 B11R0.3 C=CCCCCCCCCO[13CH3] 7a_100011215194_200025704644 [1,0,1,0,0,0|2,0,0]=4 2954 B11R0.3 C=CCCCCCCCCSC 62a_100011933949_200000210301 [1,0,1,0,0,0|2,0,0]=4 2955 B11R0.3 C=CCCCCCCCCSC 62a_200000210301_100011933949 [1,0,1,0,0,0|2,0,0]=4 2956 B11R0.3 C=CCCCCCCCCS[13CH3] 62a_100011933949_200025704644 [1,0,1,0,0,0|2,0,0]=4 2957 B11R0.3 C=CCCCCCCCCS[13CH3] 62a_200025704644_100011933949 [1,0,1,0,0,0|2,0,0]=4 2958 B11R0.3 C=CCCCCCCCNCC 2230a_100015525214_100012355270 [1,0,1,0,0,0|2,0,0]=4 2959 B11R0.3 C=CCCCCCCCOCC 34a_100000730831_100000210202 [1,0,1,0,0,0|2,0,0]=4 2960 B11R0.3 C=CCCCCCCCOCC 34a_100121572206_100012355270 [1,0,1,0,0,0|2,0,0]=4 2961 B11R0.3 C=CCCCCCCCOCC 7a_100000730831_100000210202 [1,0,1,0,0,0|2,0,0]=4 2962 B11R0.3 C=CCCCCCCCSCC 62a_100000210202_100012355270 [1,0,1,0,0,0|2,0,0]=4 2963 B11R0.3 C=CCCCCCCCSCC 62a_100012355270_100000210202 [1,0,1,0,0,0|2,0,0]=4 2964 B11R0.3 C=CCCCCCCOCCC 34a_100000210258_100011215473 [1,0,1,0,0,0|2,0,0]=4 2965 B11R0.3 C=CCCCCCCOCCC 34a_200011216477_100000210303 [1,0,1,0,0,0|2,0,0]=4 2966 B11R0.3 C=CCCCCCCOCCC 7a_200011216477_100000210303 [1,0,1,0,0,0|2,0,0]=4 2967 B11R0.3 C=CCCCCCCSCCC 62a_100000210303_100011215473 [1,0,1,0,0,0|2,0,0]=4 2968 B11R0.3 C=CCCCCCCSCCC 62a_100011215473_100000210303 [1,0,1,0,0,0|2,0,0]=4 2969 B11R0.3 C=CCCCCCNCCCC 2230a_100000102301_100000700193 [1,0,1,0,0,0|2,0,0]=4 2970 B11R0.3 C=CCCCCCNCCCC 7a_106832991798_100000700193 [1,0,1,0,0,0|2,0,0]=4 2971 B11R0.3 C=CCCCCCOCCCC 34a_100000210227_100000700193 [1,0,1,0,0,0|2,0,0]=4 2972 B11R0.3 C=CCCCCCOCCCC 34a_100011216702_100000210210 [1,0,1,0,0,0|2,0,0]=4 2973 B11R0.3 C=CCCCCCOCCCC 7a_100000210227_100000700193 [1,0,1,0,0,0|2,0,0]=4 2974 B11R0.3 C=CCCCCCOCCCC 7a_100011216702_100000210211 [1,0,1,0,0,0|2,0,0]=4 2975 B11R0.3 C=CCCCCCSCCCC 62a_100000210211_100000700193 [1,0,1,0,0,0|2,0,0]=4 2976 B11R0.3 C=CCCCCCSCCCC 62a_100000700193_100000210210 [1,0,1,0,0,0|2,0,0]=4 2977 B11R0.3 C=CCCCCNCCCCC 2230a_100000209983_100011215482 [1,0,1,0,0,0|2,0,0]=4 2978 B11R0.3 C=CCCCCNCCCCC 2230a_100000703577_100000210326 [1,0,1,0,0,0|2,0,0]=4 2979 B11R0.3 C=CCCCCNCCCCC 34a_100000703577_100000718602 [1,0,1,0,0,0|2,0,0]=4 2980 B11R0.3 C=CCCCCOCCCCC 34a_100000210253_100011215482 [1,0,1,0,0,0|2,0,0]=4 2981 B11R0.3 C=CCCCCOCCCCC 34a_100000766645_100000718602 [1,0,1,0,0,0|2,0,0]=4 2982 B11R0.3 C=CCCCCOCCCCC 7a_100000210253_100011215482 [1,0,1,0,0,0|2,0,0]=4 2983 B11R0.3 C=CCCCCOCCCCC 7a_100000766645_100000210326 [1,0,1,0,0,0|2,0,0]=4 2984 B11R0.3 C=CCCCCSCCCCC 62a_100000210326_100011215482 [1,0,1,0,0,0|2,0,0]=4 2985 B11R0.3 C=CCCCCSCCCCC 62a_100011215482_100000210326 [1,0,1,0,0,0|2,0,0]=4 2986 B11R0.3 C=CCCCNCCCCCC 2230a_100000210581_100011713584 [1,0,1,0,0,0|2,0,0]=4 2987 B11R0.3 C=CCCCNCCCCCC 2230a_100000700776_100000210314 [1,0,1,0,0,0|2,0,0]=4 2988 B11R0.3 C=CCCCNCCCCCC 34a_100000700776_100000210314 [1,0,1,0,0,0|2,0,0]=4 2989 B11R0.3 C=CCCCOCCCCCC 34a_100000210259_100000757094 [1,0,1,0,0,0|2,0,0]=4 2990 B11R0.3 C=CCCCOCCCCCC 34a_100000758997_100000210314 [1,0,1,0,0,0|2,0,0]=4 2991 B11R0.3 C=CCCCOCCCCCC 7a_100000210259_100000757094 [1,0,1,0,0,0|2,0,0]=4 2992 B11R0.3 C=CCCCOCCCCCC 7a_100000758997_100000210314 [1,0,1,0,0,0|2,0,0]=4 2993 B11R0.3 C=CCCCSCCCCCC 62a_100000210314_100000757094 [1,0,1,0,0,0|2,0,0]=4 2994 B11R0.3 C=CCCCSCCCCCC 62a_100011713584_100000210757 [1,0,1,0,0,0|2,0,0]=4 2995 B11R0.3 C=CCCNCCCCCCC 2230a_100000229938_100000754431 [1,0,1,0,0,0|2,0,0]=4 2996 B11R0.3 C=CCCNCCCCCCC 2230a_100015191253_100000210681 [1,0,1,0,0,0|2,0,0]=4 2997 B11R0.3 C=CCCOCCCCCCC 34a_100000210272_100000754431 [1,0,1,0,0,0|2,0,0]=4 2998 B11R0.3 C=CCCOCCCCCCC 34a_100011205117_100000210614 [1,0,1,0,0,0|2,0,0]=4 2999 B11R0.3 C=CCCOCCCCCCC 7a_100000210272_100000754431 [1,0,1,0,0,0|2,0,0]=4 3000 B11R0.3 C=CCCSCCCCCCC 62a_100000210614_100000754431 [1,0,1,0,0,0|2,0,0]=4 3001 B11R0.3 C=CCCSCCCCCCC 62a_100000754431_100000210316 [1,0,1,0,0,0|2,0,0]=4 3002 B11R0.3 C=CCNCCCCCCCC 2230a_100000229939_100000210623 [1,0,1,0,0,0|2,0,0]=4 3003 B11R0.3 C=CCNCCCCCCCC 2230a_100020586998_100000210759 [1,0,1,0,0,0|2,0,0]=4 3004 B11R0.3 C=CCNCCCCCCCC 34a_100000229939_100015514636 [1,0,1,0,0,0|2,0,0]=4 3005 B11R0.3 C=CCOCCCCCCCC 34a_100000210232_100015514636 [1,0,1,0,0,0|2,0,0]=4 3006 B11R0.3 C=CCOCCCCCCCC 34a_200000210373_100000210759 [1,0,1,0,0,0|2,0,0]=4 3007 B11R0.3 C=CCOCCCCCCCC 7a_100000210232_100015514636 [1,0,1,0,0,0|2,0,0]=4 3008 B11R0.3 C=CCSCCCCCCCC 62a_100000210623_100000210317 [1,0,1,0,0,0|2,0,0]=4 3009 B11R0.3 C=CCSCCCCCCCC 62a_100000210759_100000210623 [1,0,1,0,0,0|2,0,0]=4 3010 B11R0.3 CC/C=C/CCCOCCCC 34a_100016287902_100000210210 [1,0,1,0,0,0|2,0,0]=4 3011 B11R0.3 CC/C=C/CCCOCCCC 7a_100016287902_100000210211 [1,0,1,0,0,0|2,0,0]=4 3012 B11R0.3 CC/C=C\CCCCCNCC 269862a_100015525214_100016288537 [1,0,1,0,0,0|2,0,0]=4 3013 B11R0.3 CC/C=C\CCCCCOCC 34a_100016268722_100000210202 [1,0,1,0,0,0|2,0,0]=4 3014 B11R0.3 CC/C=C\CCCCCOCC 7a_100016268722_100000210202 [1,0,1,0,0,0|2,0,0]=4 3015 B11R0.3 CC/C=C\CCCCOCCC 34a_100016287862_100000210303 [1,0,1,0,0,0|2,0,0]=4 3016 B11R0.3 CC/C=C\CCCCOCCC 7a_100016287862_100000210303 [1,0,1,0,0,0|2,0,0]=4 3017 B11R0.3 CC/C=C\CCNCCCCC 2230a_100000209983_100015370543 [1,0,1,0,0,0|2,0,0]=4 3018 B11R0.3 CC/C=C\CCOCCCCC 34a_100000210253_100015370543 [1,0,1,0,0,0|2,0,0]=4 3019 B11R0.3 CC/C=C\CCOCCCCC 34a_100016288707_100000718602 [1,0,1,0,0,0|2,0,0]=4 3020 B11R0.3 CC/C=C\CCOCCCCC 7a_100000210253_100015370543 [1,0,1,0,0,0|2,0,0]=4 3021 B11R0.3 CC/C=C\CCOCCCCC 7a_100016288707_100000210326 [1,0,1,0,0,0|2,0,0]=4 3022 B11R0.3 CC/C=C\CCSCCCCC 62a_100000210326_100015370543 [1,0,1,0,0,0|2,0,0]=4 3023 B11R0.3 CC/C=C\CCSCCCCC 62a_100015370543_100000210326 [1,0,1,0,0,0|2,0,0]=4 3024 B11R0.3 CC/C=C\CNCCCCCC 2230a_100000210581_100103147603 [1,0,1,0,0,0|2,0,0]=4 3025 B11R0.3 CC/C=C\COCCCCCC 34a_100000210259_100103147603 [1,0,1,0,0,0|2,0,0]=4 3026 B11R0.3 CC/C=C\COCCCCCC 34a_100016268518_100000210314 [1,0,1,0,0,0|2,0,0]=4 3027 B11R0.3 CC/C=C\COCCCCCC 7a_100000210259_100103147603 [1,0,1,0,0,0|2,0,0]=4 3028 B11R0.3 CC/C=C\CSCCCCCC 62a_100000210314_100103147603 [1,0,1,0,0,0|2,0,0]=4 3029 B11R0.3 CC/C=C\CSCCCCCC 62a_100103147603_100000210757 [1,0,1,0,0,0|2,0,0]=4 3030 B11R0.3 CCCCCCCCCCNC 2230a_100000684558_200000210301 [1,0,1,0,0,0|2,0,0]=4 3031 B11R0.3 CCCCCCCCCCNC 2230a_106832991635_100000210320 [1,0,1,0,0,0|2,0,0]=4 3032 B11R0.3 CCCCCCCCCCNC 34a_100000684558_200000210301 [1,0,1,0,0,0|2,0,0]=4 3033 B11R0.3 CCCCCCCCCCNC 34a_100102657272_100000210320 [1,0,1,0,0,0|2,0,0]=4 3034 B11R0.3 CCCCCCCCCCNC 7a_106832991635_100000210320 [1,0,1,0,0,0|2,0,0]=4 3035 B11R0.3 CCCCCCCCCCN[13CH3] 2230a_100000684558_200025704644 [1,0,1,0,0,0|2,0,0]=4 3036 B11R0.3 CCCCCCCCCCN[13CH3] 34a_100000684558_200025704644 [1,0,1,0,0,0|2,0,0]=4 3037 B11R0.3 CCCCCCCCCCOC 34a_100000210711_200000210301 [1,0,1,0,0,0|2,0,0]=4 3038 B11R0.3 CCCCCCCCCCOC 34a_100138415774_100000210320 [1,0,1,0,0,0|2,0,0]=4 3039 B11R0.3 CCCCCCCCCCOC 7a_100000210711_200000210301 [1,0,1,0,0,0|2,0,0]=4 3040 B11R0.3 CCCCCCCCCCO[13CH3] 34a_100000210711_200025704644 [1,0,1,0,0,0|2,0,0]=4 3041 B11R0.3 CCCCCCCCCCO[13CH3] 7a_100000210711_200025704644 [1,0,1,0,0,0|2,0,0]=4 3042 B11R0.3 CCCCCCCCCCSC 62a_200000210301_100000210320 [1,0,1,0,0,0|2,0,0]=4 3043 B11R0.3 CCCCCCCCCCS[13CH3] 62a_200025704644_100000210320 [1,0,1,0,0,0|2,0,0]=4 3044 B11R0.3 CCCCCCCCCNCC 2230a_100000212291_100000210202 [1,0,1,0,0,0|2,0,0]=4 3045 B11R0.3 CCCCCCCCCNCC 2230a_100015525214_100011214924 [1,0,1,0,0,0|2,0,0]=4 3046 B11R0.3 CCCCCCCCCNCC 34a_100000212291_100000210202 [1,0,1,0,0,0|2,0,0]=4 3047 B11R0.3 CCCCCCCCCOCC 34a_100000210712_100000210202 [1,0,1,0,0,0|2,0,0]=4 3048 B11R0.3 CCCCCCCCCOCC 34a_100121572206_100011214924 [1,0,1,0,0,0|2,0,0]=4 3049 B11R0.3 CCCCCCCCCOCC 7a_100000210712_100000210202 [1,0,1,0,0,0|2,0,0]=4 3050 B11R0.3 CCCCCCCCCSCC 62a_100000210202_100000210670 [1,0,1,0,0,0|2,0,0]=4 3051 B11R0.3 CCCCCCCCNCC=O 2230a_100000229939_200015260668 [1,0,1,0,0,0|1,0,0]=3 3052 B11R0.3 CCCCCCCCNCC=O 34a_100000229939_200009817547 [1,0,1,0,0,0|1,0,0]=3 3053 B11R0.3 CCCCCCCCNCCC 2230a_100000229939_100000210303 [1,0,1,0,0,0|1,0,1]=4 3054 B11R0.3 CCCCCCCCNCCC 34a_100000229939_100000210303 [1,0,1,0,0,0|1,0,1]=4 3055 B11R0.3 CCCCCCCCNCCO 2230a_100000229939_100000211926 [1,0,1,0,0,0|1,0,1]=4 3056 B11R0.3 CCCCCCCCNCCO 2230a_100016997473_100000210759 [1,0,1,0,0,0|1,0,1]=4 3057 B11R0.3 CCCCCCCCNCCO 34a_100000229939_100000211926 [1,0,1,0,0,0|1,0,1]=4 3058 B11R0.3 CCCCCCCCNCCO 34a_100016990907_100000210759 [1,0,1,0,0,0|1,0,1]=4 3059 B11R0.3 CCCCCCCCOCC=O 34a_100000210232_200009817547 [1,0,1,0,0,0|1,0,0]=3 3060 B11R0.3 CCCCCCCCOCC=O 7a_100000210232_200015260668 [1,0,1,0,0,0|1,0,0]=3 3061 B11R0.3 CCCCCCCCOCCBr 34a_100000211926_100000210759 [1,0,1,0,0,0|1,0,1]=4 3062 B11R0.3 CCCCCCCCOCCC 34a_100000210232_100000210303 [1,0,1,0,0,0|0,0,1]=3 3063 B11R0.3 CCCCCCCCOCCC 34a_100000210258_100000210759 [1,0,1,0,0,0|0,0,1]=3 3064 B11R0.3 CCCCCCCCOCCC 7a_100000210232_100000210303 [1,0,1,0,0,0|0,0,1]=3 3065 B11R0.3 CCCCCCCCOCCF 34a_100000210232_100011217306 [1,0,1,0,0,0|1,0,1]=4 3066 B11R0.3 CCCCCCCCOCCF 7a_100000210232_100011217306 [1,0,1,0,0,0|1,0,1]=4 3067 B11R0.3 CCCCCCCCOCCN 34a_100000210304_100000210759 [1,0,1,0,0,0|1,0,1]=4 3068 B11R0.3 CCCCCCCCOCCO 34a_100000210232_100000211926 [1,0,1,0,0,0|1,0,1]=4 3069 B11R0.3 CCCCCCCCOCCO 7a_100000210232_100000211926 [1,0,1,0,0,0|1,0,1]=4 3070 B11R0.3 CCCCCCCCOCSC 34a_100000210232_100011218213 [1,0,1,0,0,0|1,0,1]=4 3071 B11R0.3 CCCCCCCCSCC=O 62a_100000210759_200015260668 [1,0,1,0,0,0|1,0,0]=3 3072 B11R0.3 CCCCCCCCSCC=O 62a_200015260668_100000210317 [1,0,1,0,0,0|1,0,0]=3 3073 B11R0.3 CCCCCCCCSCCC 62a_100000210303_100000210317 [1,0,1,0,0,0|0,1,1]=4 3074 B11R0.3 CCCCCCCCSCCC 62a_100000210759_100000210303 [1,0,1,0,0,0|0,1,1]=4 3075 B11R0.3 CCCCCCCCSCCO 62a_100000210759_100000211926 [1,0,1,0,0,0|1,0,1]=4 3076 B11R0.3 CCCCCCCCSCCO 62a_100000211926_100000210317 [1,0,1,0,0,0|1,0,1]=4 3077 B11R0.3 CCCCCCCNCCCO 2230a_100000229938_100000230001 [1,0,1,0,0,0|1,0,1]=4 3078 B11R0.3 CCCCCCCOCCCO 34a_100000210272_100000230001 [1,0,1,0,0,0|1,0,1]=4 3079 B11R0.3 CCCCCCCOCCCO 7a_100000210272_100011215043 [1,0,1,0,0,0|1,0,1]=4 3080 B11R0.3 CCCCCCCSCCCO 62a_100000210614_100011215043 [1,0,1,0,0,0|1,0,1]=4 3081 B11R0.3 CCCCCCCSCCCO 62a_100011215043_100000210316 [1,0,1,0,0,0|1,0,1]=4 3082 B11R0.3 CCCCCCNCCCC=O 2230a_100000210581_200011292268 [1,0,1,0,0,0|1,0,0]=3 3083 B11R0.3 CCCCCCNCCCCO 2230a_100000210581_100000210776 [1,0,1,0,0,0|1,0,1]=4 3084 B11R0.3 CCCCCCNCCCCO 2230a_100000750430_100000210314 [1,0,1,0,0,0|1,0,1]=4 3085 B11R0.3 CCCCCCNCCCCO 34a_100000750430_100000210314 [1,0,1,0,0,0|1,0,1]=4 3086 B11R0.3 CCCCCCOCCCC=O 7a_100000210259_200011292268 [1,0,1,0,0,0|1,0,0]=3 3087 B11R0.3 CCCCCCOCCCCO 34a_100000210259_100011216708 [1,0,1,0,0,0|1,0,1]=4 3088 B11R0.3 CCCCCCOCCCCO 7a_100000210259_100000210776 [1,0,1,0,0,0|1,0,1]=4 3089 B11R0.3 CCCCCCSCCCC=O 62a_100000210314_200011292268 [1,0,1,0,0,0|1,0,0]=3 3090 B11R0.3 CCCCCCSCCCC=O 62a_200011292268_100000210757 [1,0,1,0,0,0|1,0,0]=3 3091 B11R0.3 CCCCCCSCCCCO 62a_100000210314_100000210776 [1,0,1,0,0,0|1,0,1]=4 3092 B11R0.3 CCCCCCSCCCCO 62a_100000210776_100000210757 [1,0,1,0,0,0|1,0,1]=4 3093 B11R0.3 CCCCCNCCCCC=O 2230a_100000209983_100000139335 [1,0,1,0,0,0|1,0,0]=3 3094 B11R0.3 CCCCCNCCCCCO 2230a_100000209983_100000746330 [1,0,1,0,0,0|1,0,1]=4 3095 B11R0.3 CCCCCNCCCCCO 2230a_100000762737_100000210326 [1,0,1,0,0,0|1,0,1]=4 3096 B11R0.3 CCCCCNCCCCCO 34a_100000762737_100000718602 [1,0,1,0,0,0|1,0,1]=4 3097 B11R0.3 CCCCCNCCOCC=O 34a_100000224656_200009817547 [1,0,1,0,0,0|2,0,0]=4 3098 B11R0.3 CCCCCNCCOCCC 2230a_100000209983_100011215938 [1,0,1,0,0,0|1,0,1]=4 3099 B11R0.3 CCCCCNCCOCCC 2230a_100161115042_100000210326 [1,0,1,0,0,0|1,0,1]=4 3100 B11R0.3 CCCCCNCCOCCC 34a_100000224656_100000210303 [1,0,1,0,0,0|1,0,1]=4 3101 B11R0.3 CCCCCNCCOCCC 34a_100161115042_100000718602 [1,0,1,0,0,0|1,0,1]=4 3102 B11R0.3 CCCCCOCCCCC=O 7a_100000210253_100000139335 [1,0,1,0,0,0|1,0,0]=3 3103 B11R0.3 CCCCCOCCCCCO 34a_100000210253_100000746330 [1,0,1,0,0,0|1,0,1]=4 3104 B11R0.3 CCCCCOCCCCCO 7a_100000210253_100000746330 [1,0,1,0,0,0|1,0,1]=4 3105 B11R0.3 CCCCCOCCOCC=O 34a_100011215259_200009817547 [1,0,1,0,0,0|2,0,0]=4 3106 B11R0.3 CCCCCOCCOCC=O 7a_100011215259_200015260668 [1,0,1,0,0,0|2,0,0]=4 3107 B11R0.3 CCCCCOCCOCCC 34a_100000210253_100011215938 [1,0,1,0,0,0|1,0,1]=4 3108 B11R0.3 CCCCCOCCOCCC 34a_100000752267_100000718602 [1,0,1,0,0,0|1,0,1]=4 3109 B11R0.3 CCCCCOCCOCCC 34a_100011215259_100000210303 [1,0,1,0,0,0|1,0,1]=4 3110 B11R0.3 CCCCCOCCOCCC 7a_100000210253_100011215938 [1,0,1,0,0,0|1,0,1]=4 3111 B11R0.3 CCCCCOCCOCCC 7a_100000752267_100000210326 [1,0,1,0,0,0|1,0,1]=4 3112 B11R0.3 CCCCCOCCOCCC 7a_100011215259_100000210303 [1,0,1,0,0,0|1,0,1]=4 3113 B11R0.3 CCCCCSCCCCC=O 62a_100000139335_100000210326 [1,0,1,0,0,0|1,0,0]=3 3114 B11R0.3 CCCCCSCCCCC=O 62a_100000210326_100000139335 [1,0,1,0,0,0|1,0,0]=3 3115 B11R0.3 CCCCCSCCCCCO 62a_100000210326_100000746330 [1,0,1,0,0,0|1,0,1]=4 3116 B11R0.3 CCCCCSCCCCCO 62a_100000746330_100000210326 [1,0,1,0,0,0|1,0,1]=4 3117 B11R0.3 CCCCCSCCOCCC 62a_100000210326_100011215938 [1,0,1,0,0,0|1,0,1]=4 3118 B11R0.3 CCCCCSCCOCCC 62a_100011215938_100000210326 [1,0,1,0,0,0|1,0,1]=4 3119 B11R0.3 CCCCNCCCCCC=O 2230a_100000102301_100000139337 [1,0,1,0,0,0|1,0,0]=3 3120 B11R0.3 CCCCNCCCCCC=O 7a_106832991798_100000139337 [1,0,1,0,0,0|1,0,0]=3 3121 B11R0.3 CCCCNCCCCCCO 2230a_100000102301_100000766143 [1,0,1,0,0,0|1,0,1]=4 3122 B11R0.3 CCCCNCCCCCCO 2230a_100000686447_100000210211 [1,0,1,0,0,0|1,0,1]=4 3123 B11R0.3 CCCCNCCCCCCO 34a_100000686447_100000210210 [1,0,1,0,0,0|1,0,1]=4 3124 B11R0.3 CCCCNCCCCCCO 7a_106832991798_100000766143 [1,0,1,0,0,0|1,0,1]=4 3125 B11R0.3 CCCCNCCCOCCC 2230a_100011217757_100000210211 [1,0,1,0,0,0|1,0,1]=4 3126 B11R0.3 CCCCNCCCOCCC 34a_100011217757_100000210210 [1,0,1,0,0,0|1,0,1]=4 3127 B11R0.3 CCCCOCCCCCC=O 7a_100000210227_100000139337 [1,0,1,0,0,0|1,0,0]=3 3128 B11R0.3 CCCCOCCCCCCO 34a_100000210227_100000766143 [1,0,1,0,0,0|1,0,1]=4 3129 B11R0.3 CCCCOCCCCCCO 7a_100000210227_100000766143 [1,0,1,0,0,0|1,0,1]=4 3130 B11R0.3 CCCCOCCCNCC=O 2230a_200000211371_200015260668 [1,0,1,0,0,0|2,0,0]=4 3131 B11R0.3 CCCCOCCCNCC=O 34a_200000211371_200009817547 [1,0,1,0,0,0|2,0,0]=4 3132 B11R0.3 CCCCOCCCOCC=O 34a_200011215613_200009817547 [1,0,1,0,0,0|2,0,0]=4 3133 B11R0.3 CCCCOCCCOCC=O 7a_200011215613_200015260668 [1,0,1,0,0,0|2,0,0]=4 3134 B11R0.3 CCCCOCCCOCCC 34a_200011215613_100000210303 [1,0,1,0,0,0|1,0,1]=4 3135 B11R0.3 CCCCOCCCOCCC 7a_200011215613_100000210303 [1,0,1,0,0,0|1,0,1]=4 3136 B11R0.3 CCCCOCSCCCC=O 62a_100011995733_200011292268 [1,0,1,0,0,0|2,0,0]=4 3137 B11R0.3 CCCCOCSCCCC=O 62a_200011292268_100011995733 [1,0,1,0,0,0|2,0,0]=4 3138 B11R0.3 CCCCSCCCCCC=O 62a_100000139337_100000210210 [1,0,1,0,0,0|1,0,0]=3 3139 B11R0.3 CCCCSCCCCCC=O 62a_100000210211_100000139337 [1,0,1,0,0,0|1,0,0]=3 3140 B11R0.3 CCCCSCCCCCCO 62a_100000210211_100000766143 [1,0,1,0,0,0|1,0,1]=4 3141 B11R0.3 CCCCSCCCCCCO 62a_100000766143_100000210210 [1,0,1,0,0,0|1,0,1]=4 3142 B11R0.3 CCCNCCCCCCCO 2230a_100011996573_100000210303 [1,0,1,0,0,0|1,0,1]=4 3143 B11R0.3 CCCNCCCCCCCO 34a_100011996573_100000210303 [1,0,1,0,0,0|1,0,1]=4 3144 B11R0.3 CCCOCCCCCCCBr 34a_100000760002_100000210303 [1,0,1,0,0,0|1,0,1]=4 3145 B11R0.3 CCCOCCCCCCCBr 7a_100000760002_100000210303 [1,0,1,0,0,0|1,0,1]=4 3146 B11R0.3 CCCOCCCCCCCN 34a_100011996573_100000210303 [1,0,1,0,0,0|1,0,1]=4 3147 B11R0.3 CCCOCCCCCCCO 34a_100000210258_100000760002 [1,0,1,0,0,0|1,0,1]=4 3148 B11R0.3 CCCOCCCCCCOC 34a_100000210258_100011998445 [1,0,1,0,0,0|1,0,1]=4 3149 B11R0.3 CCCOCCCCCCOC 34a_200012092642_100000210303 [1,0,1,0,0,0|1,0,1]=4 3150 B11R0.3 CCCOCCCCCCOC 7a_200012092642_100000210303 [1,0,1,0,0,0|1,0,1]=4 3151 B11R0.3 CCCOCCNCCCC=O 2230a_100161115042_200011292268 [1,0,1,0,0,0|2,0,0]=4 3152 B11R0.3 CCCOCCOCCCC=O 7a_100000752267_200011292268 [1,0,1,0,0,0|2,0,0]=4 3153 B11R0.3 CCCOCCSCCCC=O 62a_100011215938_200011292268 [1,0,1,0,0,0|2,0,0]=4 3154 B11R0.3 CCCOCCSCCCC=O 62a_200011292268_100011215938 [1,0,1,0,0,0|2,0,0]=4 3155 B11R0.3 CCCSCCCCCCCO 62a_100000210303_100000760002 [1,0,1,0,0,0|1,0,1]=4 3156 B11R0.3 CCCSCCCCCCCO 62a_100000760002_100000210303 [1,0,1,0,0,0|1,0,1]=4 3157 B11R0.3 CCCSCCNCCCC=O 2230a_100020603323_200011292268 [1,0,1,0,0,0|2,0,0]=4 3158 B11R0.3 CCCSCCOCCCC=O 7a_200000230433_200011292268 [1,0,1,0,0,0|2,0,0]=4 3159 B11R0.3 CCNCCCCCCCCO 2230a_100015525214_100000033203 [1,0,1,0,0,0|1,0,1]=4 3160 B11R0.3 CCNCCCCCCCCO 2230a_102515433106_100000210202 [1,0,1,0,0,0|1,0,1]=4 3161 B11R0.3 CCNCCCCCCCCO 34a_102515433106_100000210202 [1,0,1,0,0,0|1,0,1]=4 3162 B11R0.3 CCOCCCCCCCCO 34a_100121572206_100000033203 [1,0,1,0,0,0|1,0,1]=4 3163 B11R0.3 CCOCCCNCCCC=O 2230a_100000210961_200011292268 [1,0,1,0,0,0|2,0,0]=4 3164 B11R0.3 CCOCCCOCCCC=O 7a_100000757476_200011292268 [1,0,1,0,0,0|2,0,0]=4 3165 B11R0.3 CCOCCCSCCCC=O 62a_100012232248_200011292268 [1,0,1,0,0,0|2,0,0]=4 3166 B11R0.3 CCOCCCSCCCC=O 62a_200011292268_100012232248 [1,0,1,0,0,0|2,0,0]=4 3167 B11R0.3 CCOCCNCCCCC=O 2230a_102516460346_100000139335 [1,0,1,0,0,0|2,0,0]=4 3168 B11R0.3 CCOCCOCCCCC=O 7a_100000210136_100000139335 [1,0,1,0,0,0|2,0,0]=4 3169 B11R0.3 CCOCCSCCCCC=O 62a_100000139335_100011215890 [1,0,1,0,0,0|2,0,0]=4 3170 B11R0.3 CCOCCSCCCCC=O 62a_100000210147_100000139335 [1,0,1,0,0,0|2,0,0]=4 3171 B11R0.3 CCOCSCCCCCC=O 62a_100000139337_100000739092 [1,0,1,0,0,0|2,0,0]=4 3172 B11R0.3 CCOCSCCCCCC=O 62a_100000739092_100000139337 [1,0,1,0,0,0|2,0,0]=4 3173 B11R0.3 CCSCCCCCCCCO 62a_100000033203_100000210202 [1,0,1,0,0,0|1,0,1]=4 3174 B11R0.3 CCSCCCCCCCCO 62a_100000210202_100000033203 [1,0,1,0,0,0|1,0,1]=4 3175 B11R0.3 CCSCCCOCCCC=O 7a_100011216438_200011292268 [1,0,1,0,0,0|2,0,0]=4 3176 B11R0.3 CCSCCNCCCCC=O 2230a_100000106463_100000139335 [1,0,1,0,0,0|2,0,0]=4 3177 B11R0.3 CCSCCOCCCCC=O 7a_100000212035_100000139335 [1,0,1,0,0,0|2,0,0]=4 3178 B11R0.3 CCSCCSCCCCC=O 62a_100000139335_100000757381 [1,0,1,0,0,0|2,0,0]=4 3179 B11R0.3 CCSCCSCCCCC=O 62a_100000757381_100000139335 [1,0,1,0,0,0|2,0,0]=4 3180 B11R0.3 CNCCCCCCCCCO 2230a_100000078944_200000210301 [1,0,1,0,0,0|1,0,1]=4 3181 B11R0.3 CNCCCCCCCCCO 2230a_106832991635_100009813782 [1,0,1,0,0,0|1,0,1]=4 3182 B11R0.3 CNCCCCCCCCCO 34a_100000078944_200000210301 [1,0,1,0,0,0|1,0,1]=4 3183 B11R0.3 CNCCCCCCCCCO 34a_100102657272_100009813782 [1,0,1,0,0,0|1,0,1]=4 3184 B11R0.3 CNCCCCCCCCCO 7a_106832991635_100009813782 [1,0,1,0,0,0|1,0,1]=4 3185 B11R0.3 COCCCCCCCCCO 34a_100138415774_100009813782 [1,0,1,0,0,0|1,0,1]=4 3186 B11R0.3 COCCCCCCOCC=O 34a_200012092642_200009817547 [1,0,1,0,0,0|2,0,0]=4 3187 B11R0.3 COCCCCCCOCC=O 7a_200012092642_200015260668 [1,0,1,0,0,0|2,0,0]=4 3188 B11R0.3 COCCCCCCSCC=O 62a_100011998445_200015260668 [1,0,1,0,0,0|2,0,0]=4 3189 B11R0.3 COCCCCCCSCC=O 62a_200015260668_100011998445 [1,0,1,0,0,0|2,0,0]=4 3190 B11R0.3 COCCCCSCCCC=O 62a_100000730899_200011292268 [1,0,1,0,0,0|2,0,0]=4 3191 B11R0.3 COCCCCSCCCC=O 62a_200011292268_100000730899 [1,0,1,0,0,0|2,0,0]=4 3192 B11R0.3 COCCCSCCCCC=O 62a_100000139335_100000709357 [1,0,1,0,0,0|2,0,0]=4 3193 B11R0.3 COCCCSCCCCC=O 62a_100000709357_100000139335 [1,0,1,0,0,0|2,0,0]=4 3194 B11R0.3 COCCNCCCCCC=O 2230a_100000209980_100000139337 [1,0,1,0,0,0|2,0,0]=4 3195 B11R0.3 COCCSCCCCCC=O 62a_100000139337_100000233755 [1,0,1,0,0,0|2,0,0]=4 3196 B11R0.3 COCCSCCCCCC=O 62a_100000233755_100000139337 [1,0,1,0,0,0|2,0,0]=4 3197 B11R0.3 CSCCCCCCCCCO 62a_100009813782_200000210301 [1,0,1,0,0,0|1,0,1]=4 3198 B11R0.3 CSCCCCCCCCCO 62a_200000210301_100009813782 [1,0,1,0,0,0|1,0,1]=4 3199 B11R0.3 CSCCCCOCCCC=O 7a_100011217163_200011292268 [1,0,1,0,0,0|2,0,0]=4 3200 B11R0.3 CSCCCNCCCCC=O 2230a_100000749238_100000139335 [1,0,1,0,0,0|2,0,0]=4 3201 B11R0.3 CSCCCOCCCCC=O 7a_100000690336_100000139335 [1,0,1,0,0,0|2,0,0]=4 3202 B11R0.3 CSCCNCCCCCC=O 2230a_100020590264_100000139337 [1,0,1,0,0,0|2,0,0]=4 3203 B11R0.3 CSCCOCCCCCC=O 7a_100000230434_100000139337 [1,0,1,0,0,0|2,0,0]=4 3204 B11R0.3 CSCCSCCCCCC=O 62a_100000139337_100000751147 [1,0,1,0,0,0|2,0,0]=4 3205 B11R0.3 CSCCSCCCCCC=O 62a_100000212216_100000139337 [1,0,1,0,0,0|2,0,0]=4 3206 B11R0.3 NCCCCCCCOCC=O 34a_100011996573_200009817547 [1,0,1,0,0,0|2,0,0]=4 3207 B11R0.3 O=CCCCCCNCCCF 2230a_100015189416_100000139337 [1,0,1,0,0,0|2,0,0]=4 3208 B11R0.3 O=CCCCCCSCCCF 62a_100000139337_100011934791 [1,0,1,0,0,0|2,0,0]=4 3209 B11R0.3 O=CCCCCCSCCCF 62a_100011934791_100000139337 [1,0,1,0,0,0|2,0,0]=4 3210 B11R0.3 O=CCCCCCSCCCO 62a_100000139337_100011215043 [1,0,1,0,0,0|2,0,0]=4 3211 B11R0.3 O=CCCCCCSCCCO 62a_100011215043_100000139337 [1,0,1,0,0,0|2,0,0]=4 3212 B11R0.3 O=CCCCCNCCCCO 2230a_100000750430_100000139335 [1,0,1,0,0,0|2,0,0]=4 3213 B11R0.3 O=CCCCCOCCCCCl 7a_100000210776_100000139335 [1,0,1,0,0,0|2,0,0]=4 3214 B11R0.3 O=CCCCCOCCCCF 7a_100011995726_100000139335 [1,0,1,0,0,0|2,0,0]=4 3215 B11R0.3 O=CCCCCSCCCCF 62a_100000139335_100000729493 [1,0,1,0,0,0|2,0,0]=4 3216 B11R0.3 O=CCCCCSCCCCF 62a_100000729493_100000139335 [1,0,1,0,0,0|2,0,0]=4 3217 B11R0.3 O=CCCCCSCCCCO 62a_100000139335_100000210776 [1,0,1,0,0,0|2,0,0]=4 3218 B11R0.3 O=CCCCCSCCCCO 62a_100000210776_100000139335 [1,0,1,0,0,0|2,0,0]=4 3219 B11R0.3 O=CCCCNCCCCCO 2230a_100000762737_200011292268 [1,0,1,0,0,0|2,0,0]=4 3220 B11R0.3 O=CCCCOCCCCCBr 7a_100000746331_200011292268 [1,0,1,0,0,0|2,0,0]=4 3221 B11R0.3 O=CCCCOCCCCCCl 7a_100000746330_200011292268 [1,0,1,0,0,0|2,0,0]=4 3222 B11R0.3 O=CCCCOCCCCCI 7a_200012148887_200011292268 [1,0,1,0,0,0|2,0,0]=4 3223 B11R0.3 O=CCCCSCCCCCF 62a_100000729378_200011292268 [1,0,1,0,0,0|2,0,0]=4 3224 B11R0.3 O=CCCCSCCCCCF 62a_200011292268_100000729378 [1,0,1,0,0,0|2,0,0]=4 3225 B11R0.3 O=CCCCSCCCCCO 62a_100000746330_200011292268 [1,0,1,0,0,0|2,0,0]=4 3226 B11R0.3 O=CCCCSCCCCCO 62a_200011292268_100000746330 [1,0,1,0,0,0|2,0,0]=4 3227 B11R0.3 O=CCNCCCCCCCO 2230a_100011996573_200015260668 [1,0,1,0,0,0|2,0,0]=4 3228 B11R0.3 O=CCNCCCCCCCO 34a_100011996573_200009817547 [1,0,1,0,0,0|2,0,0]=4 3229 B11R0.3 O=CCOCCCCCCCBr 34a_100000760002_200009817547 [1,0,1,0,0,0|2,0,0]=4 3230 B11R0.3 O=CCOCCCCCCCBr 7a_100000760002_200015260668 [1,0,1,0,0,0|2,0,0]=4 3231 B11R0.3 O=CCSCCCCCCCO 62a_100000760002_200015260668 [1,0,1,0,0,0|2,0,0]=4 3232 B11R0.3 O=CCSCCCCCCCO 62a_200015260668_100000760002 [1,0,1,0,0,0|2,0,0]=4 3233 B11R0.3 [13CH3]NCCCCCCCCCO 2230a_100000078944_200025704644 [1,0,1,0,0,0|1,0,1]=4 3234 B11R0.3 [13CH3]NCCCCCCCCCO 34a_100000078944_200025704644 [1,0,1,0,0,0|1,0,1]=4 3235 B11R0.3 [13CH3]SCCCCCCCCCO 62a_100009813782_200025704644 [1,0,1,0,0,0|1,0,1]=4 3236 B11R0.3 [13CH3]SCCCCCCCCCO 62a_200025704644_100009813782 [1,0,1,0,0,0|1,0,1]=4 3237 B11R0.81 CCCCCCC(C)NCC=O 2230a_100000210919_200015260668 [1,0,1,0,0,0|2,0,0]=4 3238 B11R0.81 CCCCCCC(C)NCC=O 34a_100000210919_200009817547 [1,0,1,0,0,0|2,0,0]=4 3239 B11R0.81 CCCCCCC(C)OCC=O 34a_100000210265_200009817547 [1,0,1,0,0,0|2,0,0]=4 3240 B11R0.81 CCCCCCC(C)OCC=O 7a_100000210265_200015260668 [1,0,1,0,0,0|2,0,0]=4 3241 B11R0.81 CCCCCCC(C)SCC=O 62a_100011215978_200015260668 [1,0,1,0,0,0|2,0,0]=4 3242 B11R0.81 CCCCCCC(C)SCC=O 62a_200015260668_100011215978 [1,0,1,0,0,0|2,0,0]=4 3243 B11R0.40 C#CC(=O)CCCCCCCC 1458a_100000211873_100000210759 [1,0,1,0,0,0|0,0,2]=4 3244 B11R0.40 C#CCCCCCCC(=O)CC 1458a_100000034748_100000210202 [1,0,1,0,0,0|0,0,2]=4 3245 B11R0.40 C#CCCCCCCC(=O)CC 1458a_100000210414_100012276617 [1,0,1,0,0,0|0,0,2]=4 3246 B11R0.40 C=CC(=O)CCCCCCCC 1458a_100000185746_100000210759 [1,0,1,0,0,0|0,0,2]=4 3247 B11R0.40 C=CCCCCCCC(=O)CC 1458a_100000210414_100011215473 [1,0,1,0,0,0|0,0,2]=4 3248 B11R0.40 C=CCCCCCCC(=O)CC 1458a_100011809334_100000210202 [1,0,1,0,0,0|0,0,2]=4 3249 B11R0.40 CCC(=O)CCCCCCC#N 1458a_100000210414_100009813337 [1,0,1,0,0,0|1,0,1]=4 3250 B11R0.40 CCC(=O)CCCCCCCO 1458a_100000210414_100000760002 [1,0,1,0,0,0|1,0,0]=3 3251 B11R0.40 CCC(=O)CCCCCCCO 1458a_100011219782_100000210202 [1,0,1,0,0,0|1,0,0]=3 3252 B11R0.40 CCC(=O)CCCCCCOC 1458a_100000210414_100011998445 [1,0,1,0,0,0|1,0,0]=3 3253 B11R0.40 CCC(=O)CCCOCCOC 1458a_100000210414_100011216529 [1,0,1,0,0,0|2,0,0]=4 3254 B11R0.40 CCC(=O)COCCCCCBr 7a_100000746331_100000747405 [1,0,1,0,0,0|2,0,0]=4 3255 B11R0.40 CCC(=O)COCCCCCCl 7a_100000746330_100000747405 [1,0,1,0,0,0|2,0,0]=4 3256 B11R0.40 CCC(=O)COCCCCCF 34a_100000725409_100000729378 [1,0,1,0,0,0|2,0,0]=4 3257 B11R0.40 CCC(=O)COCCCCCI 7a_200012148887_100000747405 [1,0,1,0,0,0|2,0,0]=4 3258 B11R0.40 CCC(=O)COCCCCCO 34a_100000725409_100000746330 [1,0,1,0,0,0|2,0,0]=4 3259 B11R0.40 CCC(=O)COCCCCOC 34a_100000725409_100000755781 [1,0,1,0,0,0|2,0,0]=4 3260 B11R0.40 CCC(=O)COCCCCSC 7a_100011217163_100000747405 [1,0,1,0,0,0|2,0,0]=4 3261 B11R0.40 CCC(=O)CSCCCCCF 62a_100000729378_100000747405 [1,0,1,0,0,0|2,0,0]=4 3262 B11R0.40 CCC(=O)CSCCCCCF 62a_100000747405_100000729378 [1,0,1,0,0,0|2,0,0]=4 3263 B11R0.40 CCC(=O)CSCCCCCO 62a_100000746330_100000747405 [1,0,1,0,0,0|2,0,0]=4 3264 B11R0.40 CCC(=O)CSCCCCCO 62a_100000747405_100000746330 [1,0,1,0,0,0|2,0,0]=4 3265 B11R0.40 CCC(=O)CSCCCCOC 62a_100000730899_100000747405 [1,0,1,0,0,0|2,0,0]=4 3266 B11R0.40 CCC(=O)CSCCCCOC 62a_100000747405_100000730899 [1,0,1,0,0,0|2,0,0]=4 3267 B11R0.40 CCC(=O)NCCCCCCO 240690a_100000686447_100000210414 [1,0,1,0,0,0|2,0,0]=4 3268 B11R0.40 CCC(=O)NCCCCCCO 527a_100000686447_100000210414 [1,0,1,0,0,0|2,0,0]=4 3269 B11R0.40 CCC(=O)NCCCCCOC 11a_100000747528_100000210414 [1,0,1,0,0,0|2,0,0]=4 3270 B11R0.40 CCC(=O)NCCCCCOC 1626a_100000747528_100000210414 [1,0,1,0,0,0|2,0,0]=4 3271 B11R0.40 CCC(=O)NCCCCCOC 240690a_100000747528_100000210414 [1,0,1,0,0,0|2,0,0]=4 3272 B11R0.40 CCC(=O)NCCCCCOC 527a_100000747528_100000210414 [1,0,1,0,0,0|2,0,0]=4 3273 B11R0.40 CCC(=O)OCCOCCCF 7a_200000031056_100011934791 [1,0,1,0,0,0|2,0,0]=4 3274 B11R0.40 CCC(=O)OCCOCCCO 7a_200000031056_100011215043 [1,0,1,0,0,0|2,0,0]=4 3275 B11R0.40 CCC(=O)OCCOCCOC 7a_200000031056_100000233755 [1,0,1,0,0,0|2,0,0]=4 3276 B11R0.40 CCC(=O)OCCOCCSC 7a_200000031056_100000212216 [1,0,1,0,0,0|2,0,0]=4 3277 B11R0.40 CCCCC/C=C/CC(=O)CC 1458a_100020675968_100000210202 [1,0,1,0,0,0|0,0,2]=4 3278 B11R0.40 CCCCCC#CCC(=O)CC 1458a_100000210414_100009816472 [1,0,1,0,0,0|0,0,2]=4 3279 B11R0.40 CCCCCCC=CC(=O)CC 1458a_200015324643_100000210202 [1,0,1,0,0,0|0,0,2]=4 3280 B11R0.40 CCCCCCCCC(=O)CC 1458a_100000210188_100000210202 [1,0,1,0,0,0|0,0,0]=2 3281 B11R0.40 CCCCCCCCC(=O)CC 1458a_100000210414_100000210759 [1,0,1,0,0,0|0,0,0]=2 3282 B11R0.40 CCCCCCCCC(=O)CF 1458a_100000210188_100015361967 [1,0,1,0,0,0|1,0,0]=3 3283 B11R0.40 CCCCCCCCC(=O)CO 1458a_100000210174_100000210759 [1,0,1,0,0,0|1,0,0]=3 3284 B11R0.40 CCCCCCCCC(=O)NC 11a_106832991635_100000210188 [1,0,1,0,0,0|1,0,0]=3 3285 B11R0.40 CCCCCCCCC(=O)NC 1626a_100102657272_100000210188 [1,0,1,0,0,0|1,0,0]=3 3286 B11R0.40 CCCCCCCCC(=O)NC 240690a_100102657272_100000210188 [1,0,1,0,0,0|1,0,0]=3 3287 B11R0.40 CCCCCCCCC(=O)NC 527a_100102657272_100000210188 [1,0,1,0,0,0|1,0,0]=3 3288 B11R0.40 CCCCCCCCN(C)CC 2230a_100000207567_100000210202 [1,0,1,0,0,0|2,0,0]=4 3289 B11R0.40 CCCCCCCCN(C)CC 2230a_100000225621_100000210759 [1,0,1,0,0,0|2,0,0]=4 3290 B11R0.40 CCCCCCCCN(C)CC 269982a_100000207567_100000204670 [1,0,1,0,0,0|2,0,0]=4 3291 B11R0.40 CCCCCCCCN(C)CC 269982a_100000225621_100000210759 [1,0,1,0,0,0|2,0,0]=4 3292 B11R0.40 CCCCCCCNC(=O)CC 11a_100000229938_100000210414 [1,0,1,0,0,0|1,0,0]=3 3293 B11R0.40 CCCCCCCNC(=O)CC 1626a_100000229938_100000210414 [1,0,1,0,0,0|1,0,0]=3 3294 B11R0.40 CCCCCCCNC(=O)CC 240690a_100000229938_100000210414 [1,0,1,0,0,0|1,0,0]=3 3295 B11R0.40 CCCCCCCNC(=O)CC 527a_100000229938_100000210414 [1,0,1,0,0,0|1,0,0]=3 3296 B11R0.40 CCCCCCCNC(=O)CO 240690a_100000229938_100000210174 [1,0,1,0,0,0|2,0,0]=4 3297 B11R0.40 CCCCCCCNC(=O)CO 527a_100000229938_100000210174 [1,0,1,0,0,0|2,0,0]=4 3298 B11R0.40 CCCCCCCNC(=O)NC 2708a_100000229938_106832991635 [1,0,1,0,0,0|2,0,0]=4 3299 B11R0.40 CCCCCCCNC(=O)NC 2708a_100102657272_100000229938 [1,0,1,0,0,0|2,0,0]=4 3300 B11R0.40 CCCCCCCNC(=O)NC 273464a_100000229938_100102657272 [1,0,1,0,0,0|2,0,0]=4 3301 B11R0.40 CCCCCCCNC(=O)NC 273464a_100102657272_100000229938 [1,0,1,0,0,0|2,0,0]=4 3302 B11R0.40 CCCCCCCNC(=O)NC 512a_100000229938_100102657272 [1,0,1,0,0,0|2,0,0]=4 3303 B11R0.40 CCCCCCCNC(=O)NC 512a_106832991638_100000229938 [1,0,1,0,0,0|2,0,0]=4 3304 B11R0.40 CCCCCCCOC(C)CC 34a_100000210272_100011215416 [1,0,1,0,0,0|1,0,1]=4 3305 B11R0.40 CCCCCCCOC(C)CC 7a_100000210228_100000210614 [1,0,1,0,0,0|1,0,1]=4 3306 B11R0.40 CCCCCCCOC(C)CC 7a_100000210272_100000758301 [1,0,1,0,0,0|1,0,1]=4 3307 B11R0.40 CCCCCCNCC(=O)NC 2230a_100000210581_100000183359 [1,0,1,0,0,0|2,0,0]=4 3308 B11R0.40 CCCCCCNCC(=O)NC 2230a_100000693194_100000210314 [1,0,1,0,0,0|2,0,0]=4 3309 B11R0.40 CCCCCCNCC(=O)OC 2230a_100000210581_100000747449 [1,0,1,0,0,0|2,0,0]=4 3310 B11R0.40 CCCCCCOCC(=O)CC 34a_100000725409_100000210314 [1,0,1,0,0,0|1,0,0]=3 3311 B11R0.40 CCCCCCOCC(=O)CC 7a_100000210259_100000747405 [1,0,1,0,0,0|1,0,0]=3 3312 B11R0.40 CCCCCCOCC(=O)NC 34a_100000210259_100000183359 [1,0,1,0,0,0|2,0,0]=4 3313 B11R0.40 CCCCCCOCC(=O)NC 34a_100000750040_100000210314 [1,0,1,0,0,0|2,0,0]=4 3314 B11R0.40 CCCCCCOCC(=O)NC 7a_100000210259_100000183359 [1,0,1,0,0,0|2,0,0]=4 3315 B11R0.40 CCCCCCOCC(=O)OC 34a_100000210259_100000747449 [1,0,1,0,0,0|2,0,0]=4 3316 B11R0.40 CCCCCCOCC(=O)OC 7a_100000210259_100000747449 [1,0,1,0,0,0|2,0,0]=4 3317 B11R0.40 CCCCCCSCC(=O)CC 62a_100000210314_100000747405 [1,0,1,0,0,0|1,0,0]=3 3318 B11R0.40 CCCCCCSCC(=O)CC 62a_100000747405_100000210757 [1,0,1,0,0,0|1,0,0]=3 3319 B11R0.40 CCCCCCSCC(=O)NC 62a_100000183359_100000210757 [1,0,1,0,0,0|2,0,0]=4 3320 B11R0.40 CCCCCCSCC(=O)NC 62a_100000210314_100000183359 [1,0,1,0,0,0|2,0,0]=4 3321 B11R0.40 CCCCCCSCC(=O)OC 62a_100000210314_100000747449 [1,0,1,0,0,0|2,0,0]=4 3322 B11R0.40 CCCCCCSCC(=O)OC 62a_100000747449_100000210757 [1,0,1,0,0,0|2,0,0]=4 3323 B11R0.40 CCCCCNCCC(=O)NC 2230a_100000209983_100000737683 [1,0,1,0,0,0|2,0,0]=4 3324 B11R0.40 CCCCCNCCC(=O)NC 2230a_100000738227_100000210326 [1,0,1,0,0,0|2,0,0]=4 3325 B11R0.40 CCCCCNCCC(=O)NC 34a_100000738227_100000718602 [1,0,1,0,0,0|2,0,0]=4 3326 B11R0.40 CCCCCNCCC(=O)OC 2230a_100000209983_100000204255 [1,0,1,0,0,0|2,0,0]=4 3327 B11R0.40 CCCCCOCCC(=O)NC 34a_100000210253_100012179268 [1,0,1,0,0,0|2,0,0]=4 3328 B11R0.40 CCCCCOCCC(=O)NC 34a_100000754576_100000718602 [1,0,1,0,0,0|2,0,0]=4 3329 B11R0.40 CCCCCOCCC(=O)NC 7a_100000210253_100000737683 [1,0,1,0,0,0|2,0,0]=4 3330 B11R0.40 CCCCCOCCC(=O)OC 34a_100000210253_100000742370 [1,0,1,0,0,0|2,0,0]=4 3331 B11R0.40 CCCCCOCCC(=O)OC 7a_100000210253_100000204255 [1,0,1,0,0,0|2,0,0]=4 3332 B11R0.40 CCCCCSCCC(=O)NC 62a_100000210326_100000737683 [1,0,1,0,0,0|2,0,0]=4 3333 B11R0.40 CCCCCSCCC(=O)NC 62a_100000737683_100000210326 [1,0,1,0,0,0|2,0,0]=4 3334 B11R0.40 CCCCCSCCC(=O)OC 62a_100000204255_100000210326 [1,0,1,0,0,0|2,0,0]=4 3335 B11R0.40 CCCCCSCCC(=O)OC 62a_100000210326_100000204255 [1,0,1,0,0,0|2,0,0]=4 3336 B11R0.40 CCCCCSCOC(=O)OC 62a_100000210326_100000139417 [1,0,1,0,0,0|2,0,0]=4 3337 B11R0.40 CCCCNCCCC(=O)NC 2230a_100000102301_100000741757 [1,0,1,0,0,0|2,0,0]=4 3338 B11R0.40 CCCCNCCCC(=O)NC 2230a_100000740002_100000210211 [1,0,1,0,0,0|2,0,0]=4 3339 B11R0.40 CCCCNCCCC(=O)NC 34a_100000740002_100000210210 [1,0,1,0,0,0|2,0,0]=4 3340 B11R0.40 CCCCNCCCC(=O)NC 7a_106832991798_100000741757 [1,0,1,0,0,0|2,0,0]=4 3341 B11R0.40 CCCCNCCCC(=O)OC 2230a_100000102301_100011218270 [1,0,1,0,0,0|2,0,0]=4 3342 B11R0.40 CCCCNCCCC(=O)OC 7a_106832991798_100011218270 [1,0,1,0,0,0|2,0,0]=4 3343 B11R0.40 CCCCNCCNC(=O)CC 34a_100132302217_100000210210 [1,0,1,0,0,0|2,0,0]=4 3344 B11R0.40 CCCCNCCOC(=O)NC 7a_106832991798_200011997002 [1,0,1,0,0,0|2,0,0]=4 3345 B11R0.40 CCCCOCCCC(=O)NC 34a_100000210227_100000741757 [1,0,1,0,0,0|2,0,0]=4 3346 B11R0.40 CCCCOCCCC(=O)NC 7a_100000210227_100000741757 [1,0,1,0,0,0|2,0,0]=4 3347 B11R0.40 CCCCOCCCC(=O)OC 34a_100000210227_100000742333 [1,0,1,0,0,0|2,0,0]=4 3348 B11R0.40 CCCCOCCCC(=O)OC 7a_100000210227_100011218270 [1,0,1,0,0,0|2,0,0]=4 3349 B11R0.40 CCCCOCCNC(=O)CC 34a_200000158885_100000210210 [1,0,1,0,0,0|2,0,0]=4 3350 B11R0.40 CCCCOCCNC(=O)CC 7a_200000158885_100000210211 [1,0,1,0,0,0|2,0,0]=4 3351 B11R0.40 CCCCOCCOC(=O)CC 7a_200000031056_100000210211 [1,0,1,0,0,0|1,0,0]=3 3352 B11R0.40 CCCCOCCOC(=O)NC 34a_100000210227_200011997002 [1,0,1,0,0,0|2,0,0]=4 3353 B11R0.40 CCCCOCCOC(=O)NC 7a_100000210227_200011997002 [1,0,1,0,0,0|2,0,0]=4 3354 B11R0.40 CCCCOCCOC(=O)OC 34a_100010262106_100000210210 [1,0,1,0,0,0|2,0,0]=4 3355 B11R0.40 CCCCOCOCC(=O)CC 34a_100000725409_100011995733 [1,0,1,0,0,0|2,0,0]=4 3356 B11R0.40 CCCCOCSCC(=O)CC 62a_100000747405_100011995733 [1,0,1,0,0,0|2,0,0]=4 3357 B11R0.40 CCCCOCSCC(=O)CC 62a_100011995733_100000747405 [1,0,1,0,0,0|2,0,0]=4 3358 B11R0.40 CCCCSCCCC(=O)NC 62a_100000210211_100000741757 [1,0,1,0,0,0|2,0,0]=4 3359 B11R0.40 CCCCSCCCC(=O)NC 62a_100000741757_100000210210 [1,0,1,0,0,0|2,0,0]=4 3360 B11R0.40 CCCCSCCCC(=O)OC 62a_100000210211_100011218270 [1,0,1,0,0,0|2,0,0]=4 3361 B11R0.40 CCCCSCCCC(=O)OC 62a_100011218270_100000210210 [1,0,1,0,0,0|2,0,0]=4 3362 B11R0.40 CCCCSCCNC(=O)CC 11a_100025743550_100000210414 [1,0,1,0,0,0|2,0,0]=4 3363 B11R0.40 CCCCSCCNC(=O)CC 1626a_100025743550_100000210414 [1,0,1,0,0,0|2,0,0]=4 3364 B11R0.40 CCCCSCCNC(=O)CC 240690a_100025743550_100000210414 [1,0,1,0,0,0|2,0,0]=4 3365 B11R0.40 CCCCSCCNC(=O)CC 527a_100025743550_100000210414 [1,0,1,0,0,0|2,0,0]=4 3366 B11R0.40 CCCCSCCOC(=O)NC 62a_100000210211_200011997002 [1,0,1,0,0,0|2,0,0]=4 3367 B11R0.40 CCCCSCCOC(=O)NC 62a_200011997002_100000210210 [1,0,1,0,0,0|2,0,0]=4 3368 B11R0.40 CCCOCCCCC(=O)OC 34a_100000059025_100000210303 [1,0,1,0,0,0|2,0,0]=4 3369 B11R0.40 CCCOCCCCC(=O)OC 34a_100000210258_100000204269 [1,0,1,0,0,0|2,0,0]=4 3370 B11R0.40 CCCOCCCCC(=O)OC 7a_100000059025_100000210303 [1,0,1,0,0,0|2,0,0]=4 3371 B11R0.40 CCCOCCCNC(=O)CC 1626a_100011217757_100000210414 [1,0,1,0,0,0|2,0,0]=4 3372 B11R0.40 CCCOCCCNC(=O)CC 240690a_100011217757_100000210414 [1,0,1,0,0,0|2,0,0]=4 3373 B11R0.40 CCCOCCCNC(=O)CC 527a_100011217757_100000210414 [1,0,1,0,0,0|2,0,0]=4 3374 B11R0.40 CCCOCCOCC(=O)CC 34a_100000725409_100011215938 [1,0,1,0,0,0|2,0,0]=4 3375 B11R0.40 CCCOCCOCC(=O)CC 7a_100000752267_100000747405 [1,0,1,0,0,0|2,0,0]=4 3376 B11R0.40 CCCOCCSCC(=O)CC 62a_100000747405_100011215938 [1,0,1,0,0,0|2,0,0]=4 3377 B11R0.40 CCCOCCSCC(=O)CC 62a_100011215938_100000747405 [1,0,1,0,0,0|2,0,0]=4 3378 B11R0.40 CCCSCCCCC(=O)OC 62a_100000204269_100000210303 [1,0,1,0,0,0|2,0,0]=4 3379 B11R0.40 CCCSCCCCC(=O)OC 62a_100000210303_100000204269 [1,0,1,0,0,0|2,0,0]=4 3380 B11R0.40 CCCSCCOCC(=O)CC 7a_200000230433_100000747405 [1,0,1,0,0,0|2,0,0]=4 3381 B11R0.40 CCNCCCCCC(=O)OC 2230a_100015525214_100009816466 [1,0,1,0,0,0|2,0,0]=4 3382 B11R0.40 CCOCCCCCC(=O)OC 34a_100000074720_100000210202 [1,0,1,0,0,0|2,0,0]=4 3383 B11R0.40 CCOCCCCCC(=O)OC 34a_100121572206_100009816466 [1,0,1,0,0,0|2,0,0]=4 3384 B11R0.40 CCOCCCCCC(=O)OC 7a_100000074720_100000210202 [1,0,1,0,0,0|2,0,0]=4 3385 B11R0.40 CCOCCCOCC(=O)CC 34a_100000725409_100012232248 [1,0,1,0,0,0|2,0,0]=4 3386 B11R0.40 CCOCCCOCC(=O)CC 7a_100000757476_100000747405 [1,0,1,0,0,0|2,0,0]=4 3387 B11R0.40 CCOCCCSCC(=O)CC 62a_100000747405_100012232248 [1,0,1,0,0,0|2,0,0]=4 3388 B11R0.40 CCOCCCSCC(=O)CC 62a_100012232248_100000747405 [1,0,1,0,0,0|2,0,0]=4 3389 B11R0.40 CCOCCOCCC(=O)CC 1458a_100000210414_100011211534 [1,0,1,0,0,0|2,0,0]=4 3390 B11R0.40 CCSCCCCCC(=O)OC 62a_100000210202_100009816466 [1,0,1,0,0,0|2,0,0]=4 3391 B11R0.40 CCSCCCCCC(=O)OC 62a_100009816466_100000210202 [1,0,1,0,0,0|2,0,0]=4 3392 B11R0.40 CCSCCCOCC(=O)CC 7a_100011216438_100000747405 [1,0,1,0,0,0|2,0,0]=4 3393 B11R0.40 CNC(=O)CCCCCCCO 240690a_100102657272_100011219782 [1,0,1,0,0,0|2,0,0]=4 3394 B11R0.40 CNCCCCCCC(=O)OC 2230a_106832991635_100009815986 [1,0,1,0,0,0|2,0,0]=4 3395 B11R0.40 CNCCCCCCC(=O)OC 34a_100102657272_100009815986 [1,0,1,0,0,0|2,0,0]=4 3396 B11R0.40 CNCCCCCCC(=O)OC 7a_106832991635_100009815986 [1,0,1,0,0,0|2,0,0]=4 3397 B11R0.40 COC(=O)CCCCCCO[13CH3] 34a_100009863599_200025704644 [1,0,1,0,0,0|2,0,0]=4 3398 B11R0.40 COC(=O)CCCCCCO[13CH3] 7a_100009863599_200025704644 [1,0,1,0,0,0|2,0,0]=4 3399 B11R0.40 COC(=O)CCCCCCSC 62a_100009815986_200000210301 [1,0,1,0,0,0|2,0,0]=4 3400 B11R0.40 COC(=O)CCCCCCSC 62a_200000210301_100009815986 [1,0,1,0,0,0|2,0,0]=4 3401 B11R0.40 COC(=O)CCCCCCS[13CH3] 62a_100009815986_200025704644 [1,0,1,0,0,0|2,0,0]=4 3402 B11R0.40 COC(=O)CCCCCCS[13CH3] 62a_200025704644_100009815986 [1,0,1,0,0,0|2,0,0]=4 3403 B11R0.40 COCCCCCCC(=O)CO 1458a_100000210174_100011998445 [1,0,1,0,0,0|2,0,0]=4 3404 B11R0.40 COCCCCCCC(=O)OC 34a_100009863599_200000210301 [1,0,1,0,0,0|2,0,0]=4 3405 B11R0.40 COCCCCCCC(=O)OC 34a_100138415774_100009815986 [1,0,1,0,0,0|2,0,0]=4 3406 B11R0.40 COCCCCCCC(=O)OC 7a_100009863599_200000210301 [1,0,1,0,0,0|2,0,0]=4 3407 B11R0.40 O=C(CF)CCCCCCCO 1458a_100011219782_100015361967 [1,0,1,0,0,0|2,0,0]=4 3408 B11R0.40 O=C(CO)CCCCCCCO 1458a_100000210174_100000760002 [1,0,1,0,0,0|2,0,0]=4 3409 B11R1.4 CCCCCOC1CCCO1 34a_100000085407_100000718602 [2,0,0,0,0,0|1,0,1]=4 3410 B11R1.4 CCCCNCC1CCCO1 2230a_100000102301_100000203698 [2,0,0,0,0,0|1,0,1]=4 3411 B11R1.4 CCCCNCC1CCCO1 7a_106832991798_100000203698 [2,0,0,0,0,0|1,0,1]=4 3412 B11R1.4 CCCCNC[C@@H]1CCCO1 2230a_100020590478_100000210211 [2,0,0,0,0,0|1,0,1]=4 3413 B11R1.4 CCCCNC[C@@H]1CCCO1 34a_100020590478_100000210210 [2,0,0,0,0,0|1,0,1]=4 3414 B11R1.4 CCCCOCC1CCCO1 34a_100000210270_100000210210 [2,0,0,0,0,0|1,0,1]=4 3415 B11R1.4 CCCCOCC1CCCO1 7a_100000210227_100000203698 [2,0,0,0,0,0|1,0,1]=4 3416 B11R1.4 CCCCOCC1CCCO1 7a_100000210270_100000210211 [2,0,0,0,0,0|1,0,1]=4 3417 B11R1.4 CCCCSCC1CCCO1 62a_100000203698_100000210210 [2,0,0,0,0,0|1,0,1]=4 3418 B11R1.4 CCCCSCC1CCCO1 62a_100000210211_100000203698 [2,0,0,0,0,0|1,0,1]=4 3419 B11R1.27 CCCCOC1CCC(=O)C1 34a_100012614533_100000210210 [2,0,0,0,0,0|2,0,0]=4 3420 B11R1.27 CCCCOC1COC(=O)O1 34a_100000210227_100000032252 [2,0,0,0,0,0|2,0,0]=4 3421 B11R1.27 CCCCSC1COC(=O)O1 62a_100000210211_100000032252 [2,0,0,0,0,0|2,0,0]=4 3422 B11R1.27 CCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100000210303 [2,0,0,0,0,0|2,0,0]=4 3423 B11R1.27 CCCNC[C@H]1CCC(=O)N1 34a_100015423886_100000210303 [2,0,0,0,0,0|2,0,0]=4 3424 B11R1.27 CCCOCC1CCC(=O)N1 34a_100000737831_100000210303 [2,0,0,0,0,0|2,0,0]=4 3425 B11R1.27 CCCOCC1CNC(=O)O1 34a_100000210258_100000181169 [2,0,0,0,0,0|2,0,0]=4 3426 B11R1.27 CCCOCC1CNC(=O)O1 34a_100011315639_100000210303 [2,0,0,0,0,0|2,0,0]=4 3427 B11R1.27 CCCOCC1COC(=O)O1 34a_100000210258_100000073702 [2,0,0,0,0,0|2,0,0]=4 3428 B11R1.27 CCCSCC1CNC(=O)O1 62a_100000181169_100000210303 [2,0,0,0,0,0|2,0,0]=4 3429 B11R1.27 CCCSCC1CNC(=O)O1 62a_100000210303_100000181169 [2,0,0,0,0,0|2,0,0]=4 3430 B11R1.27 CCCSCC1COC(=O)O1 62a_100000073702_100000210303 [2,0,0,0,0,0|2,0,0]=4 3431 B11R1.27 CCCSCC1COC(=O)O1 62a_100000210303_100000073702 [2,0,0,0,0,0|2,0,0]=4 3432 B11R1.27 CCCSC[C@@H]1CCC(=O)N1 62a_100000210303_100015189358 [2,0,0,0,0,0|2,0,0]=4 3433 B11R1.27 CCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000210303 [2,0,0,0,0,0|2,0,0]=4 3434 B13R0.62 CCCCCCCC(CC)OC(C)C 34a_200011217053_100000210206 [0,1,1,0,0,0|1,0,1]=4 3435 B13R0.62 CCCCCCCC(CC)OC(C)C 7a_200011217053_100000210206 [0,1,1,0,0,0|1,0,1]=4 3436 B13R0.178 CC(=O)CCCCSC(C)OC(=O)C 62a_100000735457_100009818208 [0,1,1,0,0,0|1,0,1]=4 3437 B13R0.178 CC(=O)CCCCSC(C)OC(=O)C 62a_100009818208_100000735457 [0,1,1,0,0,0|1,0,1]=4 3438 B13R0.178 CC(=O)OC(C)SCCCCC(C)C 62a_100009818208_100011216152 [0,1,1,0,0,0|1,0,0]=3 3439 B13R0.178 CC(=O)OC(C)SCCCCC(C)C 62a_100011216152_100009818208 [0,1,1,0,0,0|1,0,0]=3 3440 B13R0.178 CC(=O)OC(C)SCCCCN(C)C 62a_100009818208_100000690147 [0,1,1,0,0,0|2,0,0]=4 3441 B13R0.198 CCN(C)CCCSC(C)OC(=O)C 62a_100009818208_100015186262 [0,1,1,0,0,0|2,0,0]=4 3442 B13R0.274 C#CC(C)OC(C)CCCCCCC 34a_200011215852_200000035995 [0,1,1,0,0,0|1,0,1]=4 3443 B13R0.274 C#C[C@@H](C)OC(C)CCCCCCC 34a_100009815206_200011218727 [0,1,1,0,0,0|1,0,1]=4 3444 B13R0.274 C#C[C@@H](C)OC(C)CCCCCCC 7a_100009815206_200011218727 [0,1,1,0,0,0|1,0,1]=4 3445 B13R0.274 C=CC(C)OC(C)CCCCCCC 34a_100000695699_200011218727 [0,1,1,0,0,0|1,0,1]=4 3446 B13R0.274 CCCCCCCC(C)OC(C)C#N 34a_100011218135_200011218727 [0,1,1,0,0,0|1,0,1]=4 3447 B13R0.274 CCCCCCCC(C)OC(C)C#N 7a_200011215852_100000703298 [0,1,1,0,0,0|1,0,1]=4 3448 B13R0.274 CCCCCCCC(C)OC(C)CC 34a_200011215852_100011215416 [0,1,1,0,0,0|1,0,1]=4 3449 B13R0.274 CCCCCCCC(C)OC(C)CC 7a_100000210228_200011218727 [0,1,1,0,0,0|1,0,1]=4 3450 B13R0.274 CCCCCCCC(C)OC(C)CC 7a_200011215852_100000758301 [0,1,1,0,0,0|1,0,1]=4 3451 B13R0.274 CCCCCCCC(C)OC(C)CF 34a_100016041109_200011218727 [0,1,1,0,0,0|1,0,1]=4 3452 B13R0.274 CCCCCCCC(C)OC(C)CF 7a_100016041109_200011218727 [0,1,1,0,0,0|1,0,1]=4 3453 B13R0.274 CCCCCCCC(C)OC(C)CN 34a_100000210904_200011218727 [0,1,1,0,0,0|1,0,1]=4 3454 B13R0.274 CCCCCCCC(C)OC(C)CO 34a_200011215852_100012180447 [0,1,1,0,0,0|0,0,2]=4 3455 B13R0.274 CCCCCCCC(C)OC(C)CO 7a_200011215852_100012180447 [0,1,1,0,0,0|0,0,2]=4 3456 B13R0.274 CCCCCCCC(O)CC(=O)CC 1458a_200011667753_100000210202 [0,1,1,0,0,0|2,0,0]=4 3457 B13R0.274 CCCCCCCC(O)CC(=O)CF 1458a_200011667753_100015361967 [0,1,1,0,0,0|2,0,0]=4 3458 B13R0.274 CCCCCCCC(O)CC(=O)NC 1626a_100102657272_200011667753 [0,1,1,0,0,0|2,0,0]=4 3459 B13R0.274 CCCCCCCC(O)CC(=O)NC 240690a_100102657272_200011667753 [0,1,1,0,0,0|2,0,0]=4 3460 B13R0.274 CCCCCCCN(C)CC(=O)CC 269982a_100000228206_100000747405 [0,1,1,0,0,0|2,0,0]=4 3461 B13R0.274 CCCCCCCN(C)CC(=O)NC 2230a_100000189611_100000210681 [0,1,1,0,0,0|2,0,0]=4 3462 B13R0.274 CCCCCCCN(C)CC(=O)NC 2230a_100000228206_100000183359 [0,1,1,0,0,0|2,0,0]=4 3463 B13R0.274 CCCCCCCN(C)CC(=O)NC 269982a_100000228206_100000183359 [0,1,1,0,0,0|2,0,0]=4 3464 B13R0.274 CCCCCCCN(C)CC(=O)OC 2230a_100000198492_100000210681 [0,1,1,0,0,0|2,0,0]=4 3465 B13R0.274 CCCCCCCN(C)CC(=O)OC 2230a_100000228206_100000747449 [0,1,1,0,0,0|2,0,0]=4 3466 B13R0.274 CCCCCCCN(C)CC(=O)OC 269982a_100000228206_100000747449 [0,1,1,0,0,0|2,0,0]=4 3467 B13R0.274 CCCCCCNC(C)CC(=O)OC 2230a_100000210581_100009817358 [0,1,1,0,0,0|2,0,0]=4 3468 B13R0.274 CCCCCCOC(C)CC(=O)OC 34a_100000210259_100009817358 [0,1,1,0,0,0|2,0,0]=4 3469 B13R0.274 CCCCCCOC(C)CC(=O)OC 7a_100000210259_100009817358 [0,1,1,0,0,0|2,0,0]=4 3470 B13R0.274 CCCCCCSC(C)CC(=O)OC 62a_100000210314_100009817358 [0,1,1,0,0,0|2,0,0]=4 3471 B13R0.274 CCCCCCSC(C)CC(=O)OC 62a_100009817358_100000210757 [0,1,1,0,0,0|2,0,0]=4 3472 B13R0.286 CCCCCCCC(C)OC(C)(C)C 34a_100015890283_200011218727 [0,1,1,0,0,0|1,0,1]=4 3473 B13R0.286 CCCCCCCC(C)OC(C)(C)C 34a_200011215852_100000210625 [0,1,1,0,0,0|1,0,1]=4 3474 B13R0.286 CCCCCCCC(C)OC(C)(C)C 7a_100015890283_200011218727 [0,1,1,0,0,0|1,0,1]=4 3475 B13R0.333 CCCCCC(C)SC(C)OC(=O)C 62a_100009818208_200011218191 [0,1,1,0,0,0|1,0,0]=3 3476 B13R0.333 CCCCCC(C)SC(C)OC(=O)C 62a_200011218191_100009818208 [0,1,1,0,0,0|1,0,0]=3 3477 B13R0.335 C#CCCCCCSC(C)OC(=O)C 62a_100009818208_100012094781 [0,1,1,0,0,0|0,0,2]=4 3478 B13R0.335 C#CCCCCCSC(C)OC(=O)C 62a_100012094781_100009818208 [0,1,1,0,0,0|0,0,2]=4 3479 B13R0.335 C=CCCCCCSC(C)OC(=O)C 62a_100000700193_100009818208 [0,1,1,0,0,0|0,0,2]=4 3480 B13R0.335 C=CCCCCCSC(C)OC(=O)C 62a_100009818208_100000700193 [0,1,1,0,0,0|0,0,2]=4 3481 B13R0.335 CC(=O)OC(C)SCCCCCC#N 62a_100009813376_100009818208 [0,1,1,0,0,0|1,0,1]=4 3482 B13R0.335 CC(=O)OC(C)SCCCCCC#N 62a_100009818208_100009813376 [0,1,1,0,0,0|1,0,1]=4 3483 B13R0.335 CC(=O)OC(C)SCCCCCC=O 62a_100000139337_100009818208 [0,1,1,0,0,0|1,0,1]=4 3484 B13R0.335 CC(=O)OC(C)SCCCCCC=O 62a_100009818208_100000139337 [0,1,1,0,0,0|1,0,1]=4 3485 B13R0.335 CC(=O)OC(C)SCCCCCCF 62a_100009818208_100015922095 [0,1,1,0,0,0|1,0,0]=3 3486 B13R0.335 CC(=O)OC(C)SCCCCCCF 62a_100015922095_100009818208 [0,1,1,0,0,0|1,0,0]=3 3487 B13R0.335 CC(=O)OC(C)SCCCCCCO 62a_100000766143_100009818208 [0,1,1,0,0,0|1,0,0]=3 3488 B13R0.335 CC(=O)OC(C)SCCCCCCO 62a_100009818208_100000766143 [0,1,1,0,0,0|1,0,0]=3 3489 B13R0.335 CCCCCCCCC(C)OC(C)C 34a_100000210740_100000210206 [0,1,1,0,0,0|1,0,1]=4 3490 B13R0.335 CCCCCCCCC(C)OC(C)C 7a_100000210740_100000210206 [0,1,1,0,0,0|1,0,1]=4 3491 B13R0.335 CCCCCCCOC(C)C=C(C)C 34a_100000717055_100000210614 [0,1,1,0,0,0|2,0,0]=4 3492 B13R0.335 CCCCCCCSC(C)OC(=O)C 62a_100000210614_100009818208 [0,1,1,0,0,0|0,0,0]=2 3493 B13R0.335 CCCCCCCSC(C)OC(=O)C 62a_100009818208_100000210316 [0,1,1,0,0,0|0,0,0]=2 3494 B13R0.335 CCCCOCCSC(C)OC(=O)C 62a_100000743108_100009818208 [0,1,1,0,0,0|1,0,0]=3 3495 B13R0.335 CCCCOCCSC(C)OC(=O)C 62a_100009818208_100000743108 [0,1,1,0,0,0|1,0,0]=3 3496 B13R0.335 COCCOCCSC(C)OC(=O)C 62a_100000695917_100009818208 [0,1,1,0,0,0|2,0,0]=4 3497 B13R0.335 COCCOCCSC(C)OC(=O)C 62a_100009818208_100000695917 [0,1,1,0,0,0|2,0,0]=4 3498 B13R0.337 C=C(C)C(=O)C(C)CCCCCCC 1458a_100000185857_200011218727 [0,1,1,0,0,0|2,0,0]=4 3499 B13R0.337 CCCCCCCN(C)C(C)C(=O)C 2230a_100000228206_100009814033 [0,1,1,0,0,0|2,0,0]=4 3500 B13R0.337 CCCCCCCN(C)C(C)C(=O)C 269982a_100000228206_100009814033 [0,1,1,0,0,0|2,0,0]=4 3501 B13R0.438 CC(=O)OC(C)C(=O)CCCCCO 1458a_100102619762_100009818208 [0,1,1,0,0,0|1,0,1]=4 3502 B13R0.438 CC(=O)OC(C)N(C)CCCCCO 269982a_100000722520_100009818208 [0,1,1,0,0,0|2,0,0]=4 3503 B13R0.438 CC(=O)O[C@@H](C)C(=O)CCCCCF 1458a_100009816467_100000729378 [0,1,1,0,0,0|1,0,1]=4 3504 B13R0.438 CC(=O)O[C@@H](C)C(=O)CCCCCO 1458a_100009816467_100000746330 [0,1,1,0,0,0|1,0,1]=4 3505 B13R0.438 CCCCCCC(=O)C(C)OC(=O)C 1458a_100102632555_100009818208 [0,1,1,0,0,0|0,0,1]=3 3506 B13R0.438 CCCCCCC(=O)[C@@H](C)NC(=O)C 1458a_100011504603_100000210757 [0,1,1,0,0,0|1,0,1]=4 3507 B13R0.438 CCCCCCC(=O)[C@H](C)OC(=O)C 1458a_100009816467_100000210757 [0,1,1,0,0,0|0,0,1]=3 3508 B13R0.438 CCCCCCN(C)C(C)OC(=O)C 269982a_106256046315_100009818208 [0,1,1,0,0,0|1,0,0]=3 3509 B13R0.438 CCCCCNC(=O)[C@H](C)OC(=O)C 11a_100000209983_100009816467 [0,1,1,0,0,0|1,0,1]=4 3510 B13R0.438 CCCCCNC(=O)[C@H](C)OC(=O)C 1626a_100000209983_100009816467 [0,1,1,0,0,0|1,0,1]=4 3511 B13R0.438 CCCCCNC(=O)[C@H](C)OC(=O)C 240690a_100000209983_100009816467 [0,1,1,0,0,0|1,0,1]=4 3512 B13R0.438 CCCCCNC(=O)[C@H](C)OC(=O)C 527a_100000209983_100009816467 [0,1,1,0,0,0|1,0,1]=4 3513 B13R0.438 CCCCOCC(=O)C(C)OC(=O)C 1458a_100000757543_100009818208 [0,1,1,0,0,0|1,0,1]=4 3514 B13R0.438 CCCCOCC(=O)[C@H](C)OC(=O)C 1458a_100009816467_100011995733 [0,1,1,0,0,0|1,0,1]=4 3515 B13R0.438 CCCCSCC(=O)C(C)OC(=O)C 1458a_100000191162_100009818208 [0,1,1,0,0,0|1,0,1]=4 3516 B13R0.438 CCCOCCC(=O)[C@H](C)OC(=O)C 1458a_100009816467_100011215938 [0,1,1,0,0,0|1,0,1]=4 3517 B13R0.438 CCOCCCC(=O)[C@H](C)OC(=O)C 1458a_100009816467_100012232248 [0,1,1,0,0,0|1,0,1]=4 3518 B13R0.438 COCCCCC(=O)[C@H](C)OC(=O)C 1458a_100009816467_100000755781 [0,1,1,0,0,0|1,0,1]=4 3519 B13R0.712 CCCCCCCC(C)(C)OC(C)C 34a_100000212225_200000046972 [0,1,1,0,0,0|1,0,1]=4 3520 B13R0.712 CCCCCCOC(C)(C)CC(=O)C 7a_100000210262_100000210314 [0,1,1,0,0,0|2,0,0]=4 3521 B13R0.272 C#CCOC(CC)CCCCCCC 34a_200011217053_100000184674 [0,1,1,0,0,0|1,0,1]=4 3522 B13R0.272 C#CCOC(CC)CCCCCCC 7a_200011217053_100000038162 [0,1,1,0,0,0|1,0,1]=4 3523 B13R0.272 C=CC(CCCCCCC)OCC=O 34a_200011934235_200009817547 [0,1,1,0,0,0|0,0,2]=4 3524 B13R0.272 C=CC(CCCCCCC)OCC=O 7a_200011934235_200015260668 [0,1,1,0,0,0|0,0,2]=4 3525 B13R0.272 C=CCNC(CC)CCCCCCC 270004a_100020586998_200011217162 [0,1,1,0,0,0|2,0,0]=4 3526 B13R0.272 C=CCOC(CC)CCCCCCC 34a_200011217053_100015514636 [0,1,1,0,0,0|1,0,0]=3 3527 B13R0.272 C=CCOC(CC)CCCCCCC 7a_200011217053_100015514636 [0,1,1,0,0,0|1,0,0]=3 3528 B13R0.272 CCCCCCCC(CC)OCC#N 7a_200011217053_100011215382 [0,1,1,0,0,0|1,0,1]=4 3529 B13R0.272 CCCCCCCC(CC)OCC=O 34a_200011217053_200009817547 [0,1,1,0,0,0|0,0,0]=2 3530 B13R0.272 CCCCCCCC(CC)OCC=O 7a_200011217053_200015260668 [0,1,1,0,0,0|0,0,0]=2 3531 B13R0.272 CCCCCCCC(CC)OCCC 34a_200011217053_100000210303 [0,1,1,0,0,0|1,0,1]=4 3532 B13R0.272 CCCCCCCC(CC)OCCC 7a_200011217053_100000210303 [0,1,1,0,0,0|1,0,1]=4 3533 B13R0.272 CCCCCCCC(CC)OCCF 34a_200011217053_100011217306 [0,1,1,0,0,0|1,0,1]=4 3534 B13R0.272 CCCCCCCC(CC)OCCF 7a_200011217053_100011217306 [0,1,1,0,0,0|1,0,1]=4 3535 B13R0.272 CCCCCCCC(CC)OCCO 34a_200011217053_100000211926 [0,1,1,0,0,0|0,0,2]=4 3536 B13R0.272 CCCCCCCC(CC)OCCO 7a_200011217053_100000211926 [0,1,1,0,0,0|0,0,2]=4 3537 B13R0.272 CCCCCCCC(CC)OCSC 34a_200011217053_100011218213 [0,1,1,0,0,0|0,1,1]=4 3538 B13R0.282 CCCCCCCCC(CC)OCC 34a_200011216270_100000210202 [0,1,1,0,0,0|1,0,1]=4 3539 B13R0.282 CCCCCCCCC(CC)OCC 7a_200011216270_100000210202 [0,1,1,0,0,0|1,0,1]=4 3540 B13R0.282 CCCCCCCCC(CC)OCF 34a_200011216270_100015361967 [0,1,1,0,0,0|1,0,1]=4 3541 B13R0.282 CCCCCCCCC(CC)OCF 7a_200011216270_100015361967 [0,1,1,0,0,0|1,0,1]=4 3542 B13R0.282 CCCCCCNCC(CC)OCC 2230a_100015183923_100000210314 [0,1,1,0,0,0|1,0,1]=4 3543 B13R0.282 CCCCCCNCC(CC)OCC 34a_100015183923_100000210314 [0,1,1,0,0,0|1,0,1]=4 3544 B13R0.66 C=CCCC(C)NCCCCCCC 270004a_100000229938_100000762624 [0,1,1,0,0,0|2,0,0]=4 3545 B13R0.66 C=CCCC(C)OCCCCCCC 34a_100000765329_100000210614 [0,1,1,0,0,0|2,0,0]=4 3546 B13R0.66 C=CCCC(C)OCCCCCCC 7a_100000765329_100000210614 [0,1,1,0,0,0|2,0,0]=4 3547 B13R0.66 CCCCCCCCC(C)OCC=O 34a_100000210740_200009817547 [0,1,1,0,0,0|2,0,0]=4 3548 B13R0.66 CCCCCCCCC(C)OCC=O 7a_100000210740_200015260668 [0,1,1,0,0,0|2,0,0]=4 3549 B13R0.154 CCCCCCCC(=O)CCC(=O)N 1458a_100011215257_100000210614 [0,1,1,0,0,0|0,0,2]=4 3550 B13R0.154 CCCCCCCC(C)NCC(=O)N 2230a_100000711301_200011218727 [0,1,1,0,0,0|2,0,0]=4 3551 B13R0.154 CCCCCCCC(C)NCC(=O)O 269956a_100016091260_200011218727 [0,1,1,0,0,0|2,0,0]=4 3552 B13R0.154 CCCCCCCC(C)OCC(=O)C 34a_100000211253_200011218727 [0,1,1,0,0,0|2,0,0]=4 3553 B13R0.154 CCCCCCCC(C)OCC(=O)N 34a_200011215852_100000187820 [0,1,1,0,0,0|2,0,0]=4 3554 B13R0.154 CCCCCCCC(C)OCC(=O)N 7a_200011215852_100000187820 [0,1,1,0,0,0|2,0,0]=4 3555 B13R0.154 CCCCCCCC(C)OCC(=O)[O-] 34a_200011215852_100020667443 [0,1,1,0,0,0|2,0,0]=4 3556 B13R0.154 CCCCCCCC(C)SCC(=O)N 62a_100000747473_200011218727 [0,1,1,0,0,0|2,0,0]=4 3557 B13R0.154 CCCCCCCC(C)SCC(=O)N 62a_200011218727_100000747473 [0,1,1,0,0,0|2,0,0]=4 3558 B13R0.154 CCCCCCCC(C)SCC(=O)[O-] 62a_100020667443_200011218727 [0,1,1,0,0,0|2,0,0]=4 3559 B13R0.154 CCCCCCCC(C)SCC(=O)[O-] 62a_200011218727_100020667443 [0,1,1,0,0,0|2,0,0]=4 3560 B13R0.154 CCCCCCCN(C)CCC(=O)C 269982a_100000228206_100000053229 [0,1,1,0,0,0|2,0,0]=4 3561 B13R0.154 CCCCCCCN(C)CCC(=O)N 2230a_100000228206_100000744528 [0,1,1,0,0,0|2,0,0]=4 3562 B13R0.154 CCCCCCCN(C)CCC(=O)N 2230a_100000730477_100000210681 [0,1,1,0,0,0|2,0,0]=4 3563 B13R0.154 CCCCCCCN(C)CCC(=O)N 269982a_100000228206_100000744528 [0,1,1,0,0,0|2,0,0]=4 3564 B13R0.154 CCCCCOCC(O)COC(=O)C 34a_100000210253_200000139349 [0,1,1,0,0,0|2,0,0]=4 3565 B13R0.154 CCCCCOCC(O)COC(=O)C 7a_100000210253_200000139349 [0,1,1,0,0,0|2,0,0]=4 3566 B13R0.154 CCCCCSCC(O)COC(=O)C 62a_100000210326_200000139349 [0,1,1,0,0,0|2,0,0]=4 3567 B13R0.154 CCCCCSCC(O)COC(=O)C 62a_200000139349_100000210326 [0,1,1,0,0,0|2,0,0]=4 3568 B13R0.338 C=CCCNC(C)CCCCCCC 2230a_100015191253_200011218727 [0,1,1,0,0,0|2,0,0]=4 3569 B13R0.338 C=CCCNC(C)CCCCCCC 270004a_100015191253_100000210596 [0,1,1,0,0,0|2,0,0]=4 3570 B13R0.338 C=CCCOC(C)CCCCCCC 34a_100011205117_200011218727 [0,1,1,0,0,0|2,0,0]=4 3571 B13R0.338 C=CCCOC(C)CCCCCCC 34a_200011215852_100000754431 [0,1,1,0,0,0|2,0,0]=4 3572 B13R0.338 C=CCCOC(C)CCCCCCC 7a_200011215852_100000754431 [0,1,1,0,0,0|2,0,0]=4 3573 B13R0.338 CCCCCCCN(C)CCCC=O 2230a_100000228206_200011292268 [0,1,1,0,0,0|2,0,0]=4 3574 B13R0.338 CCCCCCCN(C)CCCC=O 269982a_100000228206_200011292268 [0,1,1,0,0,0|2,0,0]=4 3575 B13R0.689 CCCCCCCC(C)(C)SCC=O 62a_200000046972_200015260668 [0,1,1,0,0,0|2,0,0]=4 3576 B13R0.689 CCCCCCCC(C)(C)SCC=O 62a_200015260668_200000046972 [0,1,1,0,0,0|2,0,0]=4 3577 B13R0.1 CCCCCCC(=O)CCCC(=O)C 1458a_100102632555_100011215641 [0,1,1,0,0,0|1,0,1]=4 3578 B13R0.1 CCCCCCC(=O)CCCC(=O)N 1458a_100102632555_100102525003 [0,1,1,0,0,0|1,0,1]=4 3579 B13R0.1 CCCCCCC(C)NCCC(=O)N 2230a_100000210919_100000744528 [0,1,1,0,0,0|2,0,0]=4 3580 B13R0.1 CCCCCCC(C)NCCC(=O)N 34a_100000210919_100000731001 [0,1,1,0,0,0|2,0,0]=4 3581 B13R0.1 CCCCCCC(C)NOCC(=O)O 269956a_100000106656_100011215978 [0,1,1,0,0,0|2,0,0]=4 3582 B13R0.1 CCCCCCC(C)OCCC(=O)C 34a_100000759926_100011215978 [0,1,1,0,0,0|2,0,0]=4 3583 B13R0.1 CCCCCCC(C)OCCC(=O)C 7a_100000210265_100000053229 [0,1,1,0,0,0|2,0,0]=4 3584 B13R0.1 CCCCCCC(C)OCCC(=O)C 7a_100000759926_100011215978 [0,1,1,0,0,0|2,0,0]=4 3585 B13R0.1 CCCCCCC(C)OCCC(=O)N 34a_100000210265_100000731001 [0,1,1,0,0,0|2,0,0]=4 3586 B13R0.1 CCCCCCC(C)OCCC(=O)N 34a_100000757172_100011215978 [0,1,1,0,0,0|2,0,0]=4 3587 B13R0.1 CCCCCCC(C)OCCC(=O)N 7a_100000210265_100000744528 [0,1,1,0,0,0|2,0,0]=4 3588 B13R0.1 CCCCCCC(C)OCCC(=O)N 7a_100000757172_100011215978 [0,1,1,0,0,0|2,0,0]=4 3589 B13R0.1 CCCCCCC(C)SCCC(=O)C 62a_100000053229_100011215978 [0,1,1,0,0,0|2,0,0]=4 3590 B13R0.1 CCCCCCC(C)SCCC(=O)C 62a_100011215978_100000053229 [0,1,1,0,0,0|2,0,0]=4 3591 B13R0.1 CCCCCCC(C)SCCC(=O)N 62a_100000744528_100011215978 [0,1,1,0,0,0|2,0,0]=4 3592 B13R0.1 CCCCCCC(C)SCCC(=O)N 62a_100011215978_100000744528 [0,1,1,0,0,0|2,0,0]=4 3593 B13R0.1 CCCCCCN(C)CCCC(=O)C 269982a_106256046315_100011215641 [0,1,1,0,0,0|2,0,0]=4 3594 B13R0.1 CCCCCCN(C)CCCC(=O)N 269982a_106256046315_100102525003 [0,1,1,0,0,0|2,0,0]=4 3595 B13R0.1 CCCCCCN(C)CCCC(=O)O 269956a_100000719178_100000210757 [0,1,1,0,0,0|1,0,0]=3 3596 B13R0.1 CCCCCOC(C)CCCC(=O)[O-] 7a_100000761597_100000210326 [0,1,1,0,0,0|1,0,1]=4 3597 B13R0.1 CCCCOCN(C)CCCC(=O)O 269956a_100000719178_100011995733 [0,1,1,0,0,0|2,0,0]=4 3598 B13R0.1 CCCOCCN(C)CCCC(=O)O 269956a_100000719178_100011215938 [0,1,1,0,0,0|2,0,0]=4 3599 B13R0.1 CCOCCCN(C)CCCC(=O)O 269956a_100000719178_100012232248 [0,1,1,0,0,0|2,0,0]=4 3600 B13R0.1 CN(CCCCCF)CCCC(=O)O 269956a_100000719178_100000729378 [0,1,1,0,0,0|2,0,0]=4 3601 B13R0.1 CN(CCCCCO)CCCC(=O)O 269956a_100000719178_100000746330 [0,1,1,0,0,0|2,0,0]=4 3602 B13R0.1 COCCCCN(C)CCCC(=O)O 269956a_100000719178_100000730899 [0,1,1,0,0,0|2,0,0]=4 3603 B13R0.54 C#CCCCCCCCNCC(=O)O 269956a_100016091260_100153394163 [0,1,1,0,0,0|0,0,2]=4 3604 B13R0.54 C=C(Br)CCOCCCCCCCC 34a_100009813270_100000210759 [0,1,1,0,0,0|2,0,0]=4 3605 B13R0.54 C=C(C)CCNCCCCCCCC 2230a_100000229939_100000730704 [0,1,1,0,0,0|2,0,0]=4 3606 B13R0.54 C=C(C)CCNCCCCCCCC 34a_100000229939_100000730704 [0,1,1,0,0,0|2,0,0]=4 3607 B13R0.54 C=C(C)CCOCCCCCCCC 34a_100000210232_100000730704 [0,1,1,0,0,0|2,0,0]=4 3608 B13R0.54 C=C(C)CCOCCCCCCCC 34a_100000764851_100000210759 [0,1,1,0,0,0|2,0,0]=4 3609 B13R0.54 C=C(C)CCOCCCCCCCC 7a_100000210232_100000730704 [0,1,1,0,0,0|2,0,0]=4 3610 B13R0.54 C=C(C)CNCCCCCCCCC 2230a_100000212291_100000748629 [0,1,1,0,0,0|2,0,0]=4 3611 B13R0.54 C=C(C)CNCCCCCCCCC 34a_100000212291_100000748629 [0,1,1,0,0,0|2,0,0]=4 3612 B13R0.54 C=C(C)COCCCCCCCCC 34a_100000210245_100011214924 [0,1,1,0,0,0|2,0,0]=4 3613 B13R0.54 C=C(C)COCCCCCCCCC 34a_100000210712_100000748629 [0,1,1,0,0,0|2,0,0]=4 3614 B13R0.54 C=C(C)COCCCCCCCCC 7a_100000210712_100000748629 [0,1,1,0,0,0|2,0,0]=4 3615 B13R0.54 C=C(F)CNCCCCCCCCC 2230a_100000212291_100009893438 [0,1,1,0,0,0|2,0,0]=4 3616 B13R0.54 C=C(F)CNCCCCCCCCC 34a_100000212291_100009893438 [0,1,1,0,0,0|2,0,0]=4 3617 B13R0.54 C=C(F)COCCCCCCCCC 34a_100000210712_100009893438 [0,1,1,0,0,0|2,0,0]=4 3618 B13R0.54 C=C(F)COCCCCCCCCC 34a_200010262243_100011214924 [0,1,1,0,0,0|2,0,0]=4 3619 B13R0.54 C=C(F)COCCCCCCCCC 7a_100000210712_100000042424 [0,1,1,0,0,0|2,0,0]=4 3620 B13R0.54 C=C(F)CSCCCCCCCCC 62a_100000042424_100000210670 [0,1,1,0,0,0|2,0,0]=4 3621 B13R0.54 C=CCCCCCCCCCC(=O)C 1458a_100000070787_100009814027 [0,1,1,0,0,0|1,0,1]=4 3622 B13R0.54 C=CCCCCCCCNCC(=O)O 269956a_100016091260_100012355270 [0,1,1,0,0,0|0,0,2]=4 3623 B13R0.54 CC(=O)CCCCCCCCCCO 1458a_100000070787_100009813290 [0,1,1,0,0,0|1,0,0]=3 3624 B13R0.54 CC(=O)CCCCNCCCCCO 34a_100000762737_100009817362 [0,1,1,0,0,0|2,0,0]=4 3625 B13R0.54 CC(=O)CCCCOCCCCCBr 34a_100000746331_100009817362 [0,1,1,0,0,0|2,0,0]=4 3626 B13R0.54 CC(=O)CCCCOCCCCCBr 7a_100000746331_100000735457 [0,1,1,0,0,0|2,0,0]=4 3627 B13R0.54 CC(=O)CCCCOCCCCCCl 34a_100000746330_100009817362 [0,1,1,0,0,0|2,0,0]=4 3628 B13R0.54 CC(=O)CCCCOCCCCCCl 7a_100000746330_100000735457 [0,1,1,0,0,0|2,0,0]=4 3629 B13R0.54 CC(=O)CCCCOCCCCCI 34a_200012148887_100009817362 [0,1,1,0,0,0|2,0,0]=4 3630 B13R0.54 CC(=O)CCCCOCCCCCI 7a_200012148887_100000735457 [0,1,1,0,0,0|2,0,0]=4 3631 B13R0.54 CC(=O)CCCCOCCCCCN 34a_100000762737_100009817362 [0,1,1,0,0,0|2,0,0]=4 3632 B13R0.54 CC(=O)CCCCSCCCCCF 62a_100000729378_100000735457 [0,1,1,0,0,0|2,0,0]=4 3633 B13R0.54 CC(=O)CCCCSCCCCCF 62a_100000735457_100000729378 [0,1,1,0,0,0|2,0,0]=4 3634 B13R0.54 CC(=O)CCCCSCCCCCO 62a_100000735457_100000746330 [0,1,1,0,0,0|2,0,0]=4 3635 B13R0.54 CC(=O)CCCCSCCCCCO 62a_100000746330_100000735457 [0,1,1,0,0,0|2,0,0]=4 3636 B13R0.54 CC(=O)CCCNCCCCCCO 34a_100000686447_100000685027 [0,1,1,0,0,0|2,0,0]=4 3637 B13R0.54 CC(=O)CCCOCCCCCCBr 34a_100011215345_100000685027 [0,1,1,0,0,0|2,0,0]=4 3638 B13R0.54 CC(=O)CCCOCCCCCCBr 7a_100011215345_100011215641 [0,1,1,0,0,0|2,0,0]=4 3639 B13R0.54 CC(=O)CCCOCCCCCCCl 34a_100000766143_100000685027 [0,1,1,0,0,0|2,0,0]=4 3640 B13R0.54 CC(=O)CCCOCCCCCCCl 7a_100000766143_100011215641 [0,1,1,0,0,0|2,0,0]=4 3641 B13R0.54 CC(=O)CCCOCCCCCCF 34a_100000732779_100000685027 [0,1,1,0,0,0|2,0,0]=4 3642 B13R0.54 CC(=O)CCCOCCCCCCF 34a_100000759063_100015922095 [0,1,1,0,0,0|2,0,0]=4 3643 B13R0.54 CC(=O)CCCOCCCCCCF 7a_100000732779_100011215641 [0,1,1,0,0,0|2,0,0]=4 3644 B13R0.54 CC(=O)CCCOCCCCCCF 7a_100000759063_100015922095 [0,1,1,0,0,0|2,0,0]=4 3645 B13R0.54 CC(=O)CCCOCCCCCCN 34a_100000686447_100000685027 [0,1,1,0,0,0|2,0,0]=4 3646 B13R0.54 CC(=O)CCCOCCCCCCO 34a_100000759063_100000766143 [0,1,1,0,0,0|2,0,0]=4 3647 B13R0.54 CC(=O)CCCOCCCCCCO 7a_100000759063_100000766143 [0,1,1,0,0,0|2,0,0]=4 3648 B13R0.54 CC(=O)CCCSCCCCCCF 62a_100011215641_100015922095 [0,1,1,0,0,0|2,0,0]=4 3649 B13R0.54 CC(=O)CCCSCCCCCCF 62a_100015922095_100011215641 [0,1,1,0,0,0|2,0,0]=4 3650 B13R0.54 CC(=O)CCCSCCCCCCO 62a_100000766143_100011215641 [0,1,1,0,0,0|2,0,0]=4 3651 B13R0.54 CC(=O)CCCSCCCCCCO 62a_100011215641_100000766143 [0,1,1,0,0,0|2,0,0]=4 3652 B13R0.54 CC(=O)CCOCCCCCCCBr 7a_100000760002_100000053229 [0,1,1,0,0,0|2,0,0]=4 3653 B13R0.54 CC(=O)CCOCCCCCCCO 34a_100000759926_100000760002 [0,1,1,0,0,0|2,0,0]=4 3654 B13R0.54 CC(=O)CCOCCCCCCCO 7a_100000759926_100000760002 [0,1,1,0,0,0|2,0,0]=4 3655 B13R0.54 CC(=O)CCSCCCCCCCO 62a_100000053229_100000760002 [0,1,1,0,0,0|2,0,0]=4 3656 B13R0.54 CC(=O)CCSCCCCCCCO 62a_100000760002_100000053229 [0,1,1,0,0,0|2,0,0]=4 3657 B13R0.54 CC(=O)COCCCCCCCCO 34a_100000211253_100000033203 [0,1,1,0,0,0|2,0,0]=4 3658 B13R0.54 CC(=O)NCCCCCCCCCO 240690a_100000078944_100015343762 [0,1,1,0,0,0|2,0,0]=4 3659 B13R0.54 CCCCC#CCCCNCC(=O)O 269956a_100016091260_200000047210 [0,1,1,0,0,0|0,0,2]=4 3660 B13R0.54 CCCCCCCCCC=CC(=O)C 1458a_200015352897_200000210301 [0,1,1,0,0,0|1,0,1]=4 3661 B13R0.54 CCCCCCCCCC=CC(=O)[13CH3] 1458a_200015352897_200025704644 [0,1,1,0,0,0|1,0,1]=4 3662 B13R0.54 CCCCCCCCCCCC(=O)C 1458a_100000070787_100011215454 [0,1,1,0,0,0|1,0,0]=3 3663 B13R0.54 CCCCCCCCCCCC(=O)C 1458a_100000210736_200000210301 [0,1,1,0,0,0|1,0,0]=3 3664 B13R0.54 CCCCCCCCCCCC(=O)[13CH3] 1458a_100000210736_200025704644 [0,1,1,0,0,0|1,0,0]=3 3665 B13R0.54 CCCCCCCCCCNC(=O)C 11a_100000684558_100015343762 [0,1,1,0,0,0|1,0,0]=3 3666 B13R0.54 CCCCCCCCCCNC(=O)C 1626a_100000684558_100015343762 [0,1,1,0,0,0|1,0,0]=3 3667 B13R0.54 CCCCCCCCCCNC(=O)C 240690a_100000684558_100015343762 [0,1,1,0,0,0|1,0,0]=3 3668 B13R0.54 CCCCCCCCCCNC(=O)C 527a_100000684558_100103153847 [0,1,1,0,0,0|1,0,0]=3 3669 B13R0.54 CCCCCCCCCNCC(=O)N 2230a_100000212291_100000747473 [0,1,1,0,0,0|1,0,0]=3 3670 B13R0.54 CCCCCCCCCNCC(=O)N 2230a_100000711301_100011214924 [0,1,1,0,0,0|1,0,0]=3 3671 B13R0.54 CCCCCCCCCNCC(=O)N 34a_100000212291_100000187820 [0,1,1,0,0,0|1,0,0]=3 3672 B13R0.54 CCCCCCCCCNCC(=O)O 269956a_100016091260_100000210670 [0,1,1,0,0,0|0,0,0]=2 3673 B13R0.54 CCCCCCCCCNCC(=O)[O-] 34a_100000212291_100020667443 [0,1,1,0,0,0|0,0,1]=3 3674 B13R0.54 CCCCCCCCCNCC(C)O 2230a_100000210904_100011214924 [0,1,1,0,0,0|1,0,1]=4 3675 B13R0.54 CCCCCCCCCNCC(C)O 2230a_100000212291_100011218427 [0,1,1,0,0,0|1,0,1]=4 3676 B13R0.54 CCCCCCCCCNCC(C)O 34a_100000210904_100011214924 [0,1,1,0,0,0|1,0,1]=4 3677 B13R0.54 CCCCCCCCCNCC(C)O 34a_100000212291_100011218427 [0,1,1,0,0,0|1,0,1]=4 3678 B13R0.54 CCCCCCCCCNC[C@@H](C)O 2230a_100000212291_100009817552 [0,1,1,0,0,0|1,0,1]=4 3679 B13R0.54 CCCCCCCCCNC[C@@H](C)O 34a_100000212291_100009817552 [0,1,1,0,0,0|1,0,1]=4 3680 B13R0.54 CCCCCCCCCNC[N+](=O)[O-] 34a_100000212291_100000761209 [0,1,1,0,0,0|1,0,1]=4 3681 B13R0.54 CCCCCCCCCOCC(=O)C 34a_100000211253_100011214924 [0,1,1,0,0,0|1,0,0]=3 3682 B13R0.54 CCCCCCCCCOCC(=O)N 34a_100000210712_100000187820 [0,1,1,0,0,0|1,0,0]=3 3683 B13R0.54 CCCCCCCCCOCC(=O)N 7a_100000210712_100000187820 [0,1,1,0,0,0|1,0,0]=3 3684 B13R0.54 CCCCCCCCCOCC(=O)[O-] 34a_100000210712_100020667443 [0,1,1,0,0,0|0,0,1]=3 3685 B13R0.54 CCCCCCCCCOCC(C)O 34a_100000210712_100011218427 [0,1,1,0,0,0|1,0,1]=4 3686 B13R0.54 CCCCCCCCCOCC(C)O 7a_100000210712_100011218427 [0,1,1,0,0,0|1,0,1]=4 3687 B13R0.54 CCCCCCCCCOC[C@@H](C)O 34a_100000210712_100009817552 [0,1,1,0,0,0|1,0,1]=4 3688 B13R0.54 CCCCCCCCCOC[C@@H](C)O 7a_100000210712_100009817552 [0,1,1,0,0,0|1,0,1]=4 3689 B13R0.54 CCCCCCCCCOC[N+](=O)[O-] 34a_100000210712_100000761209 [0,1,1,0,0,0|1,0,1]=4 3690 B13R0.54 CCCCCCCCCSCC(=O)N 62a_100000747473_100000210670 [0,1,1,0,0,0|1,0,0]=3 3691 B13R0.54 CCCCCCCCCSCC(=O)[O-] 62a_100020667443_100000210670 [0,1,1,0,0,0|0,0,1]=3 3692 B13R0.54 CCCCCCCCCSCC(C)O 62a_100011218427_100000210670 [0,1,1,0,0,0|1,0,1]=4 3693 B13R0.54 CCCCCCCCCSC[C@@H](C)O 62a_100009817552_100000210670 [0,1,1,0,0,0|1,0,1]=4 3694 B13R0.54 CCCCCCCCNCCC(=O)N 2230a_100000229939_100000744528 [0,1,1,0,0,0|1,0,0]=3 3695 B13R0.54 CCCCCCCCNCCC(=O)N 34a_100000229939_100000731001 [0,1,1,0,0,0|1,0,0]=3 3696 B13R0.54 CCCCCCCCNCCC(C)O 2230a_100000229939_100012276601 [0,1,1,0,0,0|1,0,1]=4 3697 B13R0.54 CCCCCCCCNCCC(C)O 2230a_200000755665_100000210759 [0,1,1,0,0,0|1,0,1]=4 3698 B13R0.54 CCCCCCCCNCCC(C)O 34a_100000229939_100012276601 [0,1,1,0,0,0|1,0,1]=4 3699 B13R0.54 CCCCCCCCNCOC(=O)C 34a_100000229939_100009813279 [0,1,1,0,0,0|2,0,0]=4 3700 B13R0.54 CCCCCCCCNOCC(=O)O 269956a_100000106656_100000210759 [0,1,1,0,0,0|1,0,0]=3 3701 B13R0.54 CCCCCCCCOCCC(=O)C 34a_100000759926_100000210759 [0,1,1,0,0,0|1,0,0]=3 3702 B13R0.54 CCCCCCCCOCCC(=O)C 7a_100000210232_100000053229 [0,1,1,0,0,0|1,0,0]=3 3703 B13R0.54 CCCCCCCCOCCC(=O)C 7a_100000759926_100000210759 [0,1,1,0,0,0|1,0,0]=3 3704 B13R0.54 CCCCCCCCOCCC(=O)N 34a_100000210232_100000731001 [0,1,1,0,0,0|1,0,0]=3 3705 B13R0.54 CCCCCCCCOCCC(=O)N 34a_100000757172_100000210759 [0,1,1,0,0,0|1,0,0]=3 3706 B13R0.54 CCCCCCCCOCCC(=O)N 7a_100000210232_100000744528 [0,1,1,0,0,0|1,0,0]=3 3707 B13R0.54 CCCCCCCCOCCC(=O)N 7a_100000757172_100000210759 [0,1,1,0,0,0|1,0,0]=3 3708 B13R0.54 CCCCCCCCOCCC(C)O 34a_100000210232_100012276601 [0,1,1,0,0,0|1,0,1]=4 3709 B13R0.54 CCCCCCCCOCCC(C)O 7a_100000210232_100012276601 [0,1,1,0,0,0|1,0,1]=4 3710 B13R0.54 CCCCCCCCOCOC(=O)C 34a_100000210232_100009813279 [0,1,1,0,0,0|2,0,0]=4 3711 B13R0.54 CCCCCCCCSCCC(=O)C 62a_100000053229_100000210317 [0,1,1,0,0,0|1,0,0]=3 3712 B13R0.54 CCCCCCCCSCCC(=O)C 62a_100000210759_100000053229 [0,1,1,0,0,0|1,0,0]=3 3713 B13R0.54 CCCCCCCCSCCC(=O)N 62a_100000210759_100000744528 [0,1,1,0,0,0|1,0,0]=3 3714 B13R0.54 CCCCCCCCSCCC(=O)N 62a_100000744528_100000210317 [0,1,1,0,0,0|1,0,0]=3 3715 B13R0.54 CCCCCCCCSCCC(C)O 62a_100000210759_100012276601 [0,1,1,0,0,0|1,0,1]=4 3716 B13R0.54 CCCCCCCCSCCC(C)O 62a_100012276601_100000210317 [0,1,1,0,0,0|1,0,1]=4 3717 B13R0.54 CCCCCCCCSCOC(=O)C 62a_100000076356_100000210317 [0,1,1,0,0,0|2,0,0]=4 3718 B13R0.54 CCCCCCCCSCOC(=O)C 62a_100000210759_100000076356 [0,1,1,0,0,0|2,0,0]=4 3719 B13R0.54 CCCCCCCNCCCC(=O)N 34a_100000739312_100000210614 [0,1,1,0,0,0|1,0,0]=3 3720 B13R0.54 CCCCCCCNCCCC(C)O 2230a_100000229938_200000718107 [0,1,1,0,0,0|1,0,1]=4 3721 B13R0.54 CCCCCCCNCCCS(=O)C 2230a_200000753449_100000210681 [0,1,1,0,0,0|2,0,0]=4 3722 B13R0.54 CCCCCCCNCCNC(=O)C 2230a_100000209853_100000210681 [0,1,1,0,0,0|2,0,0]=4 3723 B13R0.54 CCCCCCCNCCNC(=O)C 2230a_100000229938_100000189650 [0,1,1,0,0,0|2,0,0]=4 3724 B13R0.54 CCCCCCCNCCNC(=O)N 2230a_100000229938_200000034859 [0,1,1,0,0,0|2,0,0]=4 3725 B13R0.54 CCCCCCCNCCNC(=O)N 34a_100020590234_100000210614 [0,1,1,0,0,0|2,0,0]=4 3726 B13R0.54 CCCCCCCOCCCC(=O)C 34a_100000210272_100000685027 [0,1,1,0,0,0|1,0,0]=3 3727 B13R0.54 CCCCCCCOCCCC(=O)C 34a_100000759063_100000210614 [0,1,1,0,0,0|1,0,0]=3 3728 B13R0.54 CCCCCCCOCCCC(=O)C 7a_100000210272_100011215641 [0,1,1,0,0,0|1,0,0]=3 3729 B13R0.54 CCCCCCCOCCCC(=O)C 7a_100000759063_100000210614 [0,1,1,0,0,0|1,0,0]=3 3730 B13R0.54 CCCCCCCOCCCC(=O)N 34a_100000210272_100102525003 [0,1,1,0,0,0|1,0,0]=3 3731 B13R0.54 CCCCCCCOCCCC(=O)N 7a_100000210272_100102525003 [0,1,1,0,0,0|1,0,0]=3 3732 B13R0.54 CCCCCCCOCCCC(C)O 34a_100000210272_200000718107 [0,1,1,0,0,0|1,0,1]=4 3733 B13R0.54 CCCCCCCOCCCC(C)O 7a_100000210272_200000718107 [0,1,1,0,0,0|1,0,1]=4 3734 B13R0.54 CCCCCCCOCCC[N+](=O)[O-] 34a_200000037920_100000210614 [0,1,1,0,0,0|1,0,1]=4 3735 B13R0.54 CCCCCCCOCCNC(=O)C 34a_100000158858_100000210614 [0,1,1,0,0,0|2,0,0]=4 3736 B13R0.54 CCCCCCCOCCNC(=O)C 7a_100000210272_100000189650 [0,1,1,0,0,0|2,0,0]=4 3737 B13R0.54 CCCCCCCOCCNC(=O)N 34a_100000181757_100000210614 [0,1,1,0,0,0|2,0,0]=4 3738 B13R0.54 CCCCCCCOCCNC(=O)N 7a_100000210272_200000034859 [0,1,1,0,0,0|2,0,0]=4 3739 B13R0.54 CCCCCCCOCCOC(=O)C 34a_100000210272_100009814007 [0,1,1,0,0,0|2,0,0]=4 3740 B13R0.54 CCCCCCCOCCOC(=O)C 7a_100000210272_100009814007 [0,1,1,0,0,0|2,0,0]=4 3741 B13R0.54 CCCCCCCOCCOC(=O)N 34a_100000210272_200011214921 [0,1,1,0,0,0|2,0,0]=4 3742 B13R0.54 CCCCCCCOCCOC(=O)N 7a_100000210272_200011214921 [0,1,1,0,0,0|2,0,0]=4 3743 B13R0.54 CCCCCCCOCCOC(=O)N 7a_100000766696_100000210614 [0,1,1,0,0,0|2,0,0]=4 3744 B13R0.54 CCCCCCCSCCCC(=O)C 62a_100000210614_100011215641 [0,1,1,0,0,0|1,0,0]=3 3745 B13R0.54 CCCCCCCSCCCC(=O)C 62a_100011215641_100000210316 [0,1,1,0,0,0|1,0,0]=3 3746 B13R0.54 CCCCCCCSCCCC(=O)N 62a_100000210614_100102525003 [0,1,1,0,0,0|1,0,0]=3 3747 B13R0.54 CCCCCCCSCCCC(=O)N 62a_100102525003_100000210316 [0,1,1,0,0,0|1,0,0]=3 3748 B13R0.54 CCCCCCCSCCCC(C)O 62a_100000210614_200000718107 [0,1,1,0,0,0|1,0,1]=4 3749 B13R0.54 CCCCCCCSCCCC(C)O 62a_200000718107_100000210316 [0,1,1,0,0,0|1,0,1]=4 3750 B13R0.54 CCCCCCCSCCNC(=O)C 62a_100000189650_100000210316 [0,1,1,0,0,0|2,0,0]=4 3751 B13R0.54 CCCCCCCSCCNC(=O)C 62a_100000210614_100000189650 [0,1,1,0,0,0|2,0,0]=4 3752 B13R0.54 CCCCCCCSCCNC(=O)N 62a_100000210614_200000034859 [0,1,1,0,0,0|2,0,0]=4 3753 B13R0.54 CCCCCCCSCCNC(=O)N 62a_200000034859_100000210316 [0,1,1,0,0,0|2,0,0]=4 3754 B13R0.54 CCCCCCCSCCOC(=O)C 62a_100000210614_100009814007 [0,1,1,0,0,0|2,0,0]=4 3755 B13R0.54 CCCCCCCSCCOC(=O)C 62a_100009814007_100000210316 [0,1,1,0,0,0|2,0,0]=4 3756 B13R0.54 CCCCCCCSCCOC(=O)N 62a_100000210614_200011214921 [0,1,1,0,0,0|2,0,0]=4 3757 B13R0.54 CCCCCCCSCCOC(=O)N 62a_200011214921_100000210316 [0,1,1,0,0,0|2,0,0]=4 3758 B13R0.54 CCCCCCNCCCCB(O)O 2230a_100000210581_200009817182 [0,1,1,0,0,0|1,0,1]=4 3759 B13R0.54 CCCCCCNCCCCC(=O)N 34a_100000696515_100000210314 [0,1,1,0,0,0|1,0,0]=3 3760 B13R0.54 CCCCCCNCCCNC(=O)C 34a_100000736810_100000210314 [0,1,1,0,0,0|2,0,0]=4 3761 B13R0.54 CCCCCCNCCCSC(=O)C 2230a_100000210581_100000038929 [0,1,1,0,0,0|2,0,0]=4 3762 B13R0.54 CCCCCCNCCOCC(=O)N 2230a_100000210581_100000076697 [0,1,1,0,0,0|2,0,0]=4 3763 B13R0.54 CCCCCCNCCOCC(=O)O 269956a_100000700818_100000210757 [0,1,1,0,0,0|1,0,0]=3 3764 B13R0.54 CCCCCCOCCCCB(O)O 34a_100000210259_200009817182 [0,1,1,0,0,0|1,0,1]=4 3765 B13R0.54 CCCCCCOCCCCB(O)O 7a_100000210259_200009817182 [0,1,1,0,0,0|1,0,1]=4 3766 B13R0.54 CCCCCCOCCCCC(=O)C 34a_100000210259_100009817362 [0,1,1,0,0,0|1,0,0]=3 3767 B13R0.54 CCCCCCOCCCCC(=O)C 7a_100000210259_100000735457 [0,1,1,0,0,0|1,0,0]=3 3768 B13R0.54 CCCCCCOCCCCC(=O)N 34a_100012022536_100000210314 [0,1,1,0,0,0|1,0,0]=3 3769 B13R0.54 CCCCCCOCCCCC(=O)N 7a_100012022536_100000210314 [0,1,1,0,0,0|1,0,0]=3 3770 B13R0.54 CCCCCCOCCCC[N+](=O)[O-] 34a_200015379883_100000210314 [0,1,1,0,0,0|1,0,1]=4 3771 B13R0.54 CCCCCCOCCCC[N+](=O)[O-] 7a_200015379883_100000210314 [0,1,1,0,0,0|1,0,1]=4 3772 B13R0.54 CCCCCCOCCCNC(=O)C 34a_100000752032_100000210314 [0,1,1,0,0,0|2,0,0]=4 3773 B13R0.54 CCCCCCOCCCOC(=O)C 34a_100000210259_100000042594 [0,1,1,0,0,0|2,0,0]=4 3774 B13R0.54 CCCCCCOCCCOC(=O)C 7a_100000210259_100000042594 [0,1,1,0,0,0|2,0,0]=4 3775 B13R0.54 CCCCCCOCCCSC(=O)C 34a_100000210259_100000038929 [0,1,1,0,0,0|2,0,0]=4 3776 B13R0.54 CCCCCCOCCCSC(=O)C 7a_100000210259_100000038929 [0,1,1,0,0,0|2,0,0]=4 3777 B13R0.54 CCCCCCOCCOCC(=O)N 34a_100000210259_100000076697 [0,1,1,0,0,0|2,0,0]=4 3778 B13R0.54 CCCCCCOCCOCC(=O)N 34a_100000691444_100000187820 [0,1,1,0,0,0|2,0,0]=4 3779 B13R0.54 CCCCCCOCCOCC(=O)N 7a_100000210259_100000076697 [0,1,1,0,0,0|2,0,0]=4 3780 B13R0.54 CCCCCCOCCOCC(=O)N 7a_100000691444_100000187820 [0,1,1,0,0,0|2,0,0]=4 3781 B13R0.54 CCCCCCOCCOCC(=O)[O-] 34a_100000691444_100020667443 [0,1,1,0,0,0|1,0,1]=4 3782 B13R0.54 CCCCCCSCCCCB(O)O 62a_100000210314_200009817182 [0,1,1,0,0,0|1,0,1]=4 3783 B13R0.54 CCCCCCSCCCCB(O)O 62a_200009817182_100000210757 [0,1,1,0,0,0|1,0,1]=4 3784 B13R0.54 CCCCCCSCCCCC(=O)C 62a_100000210314_100000735457 [0,1,1,0,0,0|1,0,0]=3 3785 B13R0.54 CCCCCCSCCCCC(=O)C 62a_100000735457_100000210757 [0,1,1,0,0,0|1,0,0]=3 3786 B13R0.54 CCCCCCSCCCOC(=O)C 62a_100000042594_100000210757 [0,1,1,0,0,0|2,0,0]=4 3787 B13R0.54 CCCCCCSCCCOC(=O)C 62a_100000210314_100000042594 [0,1,1,0,0,0|2,0,0]=4 3788 B13R0.54 CCCCCCSCCCSC(=O)C 62a_100000038929_100000210757 [0,1,1,0,0,0|2,0,0]=4 3789 B13R0.54 CCCCCCSCCCSC(=O)C 62a_100000210314_100000038929 [0,1,1,0,0,0|2,0,0]=4 3790 B13R0.54 CCCCCCSCCOCC(=O)N 62a_100000076697_100000210757 [0,1,1,0,0,0|2,0,0]=4 3791 B13R0.54 CCCCCCSCCOCC(=O)N 62a_100000210314_100000076697 [0,1,1,0,0,0|2,0,0]=4 3792 B13R0.54 CCCCCNCCCCCB(O)O 2230a_100000209983_200009817188 [0,1,1,0,0,0|1,0,1]=4 3793 B13R0.54 CCCCCNCCCCCC(=O)N 2230a_100000209983_100009817443 [0,1,1,0,0,0|1,0,0]=3 3794 B13R0.54 CCCCCNCCCCNC(=O)C 2230a_200011368371_100000210326 [0,1,1,0,0,0|2,0,0]=4 3795 B13R0.54 CCCCCNCCCCNC(=O)C 34a_200011368371_100000718602 [0,1,1,0,0,0|2,0,0]=4 3796 B13R0.54 CCCCCNCCCCSC(=O)C 2230a_100000209983_200010402107 [0,1,1,0,0,0|2,0,0]=4 3797 B13R0.54 CCCCCNCCOCCC(=O)N 34a_100000224656_100000731001 [0,1,1,0,0,0|2,0,0]=4 3798 B13R0.54 CCCCCOCCCCCB(O)O 34a_100000210253_200009817188 [0,1,1,0,0,0|1,0,1]=4 3799 B13R0.54 CCCCCOCCCCCB(O)O 7a_100000210253_200009817188 [0,1,1,0,0,0|1,0,1]=4 3800 B13R0.54 CCCCCOCCCCCC(=O)N 34a_100000123541_100000718602 [0,1,1,0,0,0|1,0,0]=3 3801 B13R0.54 CCCCCOCCCCCC(=O)N 34a_100000210253_100009817443 [0,1,1,0,0,0|1,0,0]=3 3802 B13R0.54 CCCCCOCCCCCC(=O)N 7a_100000123541_100000210326 [0,1,1,0,0,0|1,0,0]=3 3803 B13R0.54 CCCCCOCCCCCC(=O)N 7a_100000210253_100009817443 [0,1,1,0,0,0|1,0,0]=3 3804 B13R0.54 CCCCCOCCCCCC(=O)[O-] 7a_100102619762_100000210326 [0,1,1,0,0,0|0,0,1]=3 3805 B13R0.54 CCCCCOCCCCOC(=O)C 34a_100000073216_100000718602 [0,1,1,0,0,0|2,0,0]=4 3806 B13R0.54 CCCCCOCCCCOC(=O)C 34a_100000210253_100000033659 [0,1,1,0,0,0|2,0,0]=4 3807 B13R0.54 CCCCCOCCCCOC(=O)C 7a_100000073216_100000210326 [0,1,1,0,0,0|2,0,0]=4 3808 B13R0.54 CCCCCOCCCCOC(=O)C 7a_100000210253_100000033659 [0,1,1,0,0,0|2,0,0]=4 3809 B13R0.54 CCCCCOCCCCSC(=O)C 34a_100000210253_200010402107 [0,1,1,0,0,0|2,0,0]=4 3810 B13R0.54 CCCCCOCCCCSC(=O)C 7a_100000210253_200010402107 [0,1,1,0,0,0|2,0,0]=4 3811 B13R0.54 CCCCCOCCOCCC(=O)C 7a_100011215259_100000053229 [0,1,1,0,0,0|2,0,0]=4 3812 B13R0.54 CCCCCOCCOCCC(=O)N 34a_100011215259_100000731001 [0,1,1,0,0,0|2,0,0]=4 3813 B13R0.54 CCCCCOCCOCCC(=O)N 7a_100011215259_100000744528 [0,1,1,0,0,0|2,0,0]=4 3814 B13R0.54 CCCCCSCCCCCB(O)O 62a_100000210326_200009817188 [0,1,1,0,0,0|1,0,1]=4 3815 B13R0.54 CCCCCSCCCCCB(O)O 62a_200009817188_100000210326 [0,1,1,0,0,0|1,0,1]=4 3816 B13R0.54 CCCCCSCCCCCC(=O)N 62a_100000210326_100009817443 [0,1,1,0,0,0|1,0,0]=3 3817 B13R0.54 CCCCCSCCCCCC(=O)N 62a_100009817443_100000210326 [0,1,1,0,0,0|1,0,0]=3 3818 B13R0.54 CCCCCSCCCCOC(=O)C 62a_100000033659_100000210326 [0,1,1,0,0,0|2,0,0]=4 3819 B13R0.54 CCCCCSCCCCOC(=O)C 62a_100000210326_100000033659 [0,1,1,0,0,0|2,0,0]=4 3820 B13R0.54 CCCCCSCCCCSC(=O)C 62a_100000210326_200010402107 [0,1,1,0,0,0|2,0,0]=4 3821 B13R0.54 CCCCCSCCCCSC(=O)C 62a_200010402107_100000210326 [0,1,1,0,0,0|2,0,0]=4 3822 B13R0.54 CCCCNCCCCCCB(O)O 2230a_100000102301_100009817187 [0,1,1,0,0,0|1,0,1]=4 3823 B13R0.54 CCCCNCCCCCCB(O)O 7a_106832991798_100009817187 [0,1,1,0,0,0|1,0,1]=4 3824 B13R0.54 CCCCNCCCCCNC(=O)C 2230a_200012022750_100000210211 [0,1,1,0,0,0|2,0,0]=4 3825 B13R0.54 CCCCNCCCCCNC(=O)C 34a_200012022750_100000210210 [0,1,1,0,0,0|2,0,0]=4 3826 B13R0.54 CCCCNCCCCCOC(=O)C 2230a_100000102301_100009813381 [0,1,1,0,0,0|2,0,0]=4 3827 B13R0.54 CCCCNCCCCCOC(=O)C 7a_106832991798_100000033007 [0,1,1,0,0,0|2,0,0]=4 3828 B13R0.54 CCCCNCCCCOCC(=O)N 34a_200011216965_100000187820 [0,1,1,0,0,0|2,0,0]=4 3829 B13R0.54 CCCCNCCCCOCC(=O)[O-] 34a_200011216965_100020667443 [0,1,1,0,0,0|1,0,1]=4 3830 B13R0.54 CCCCOCCCCCCB(O)O 34a_100000210227_100009817187 [0,1,1,0,0,0|1,0,1]=4 3831 B13R0.54 CCCCOCCCCCCB(O)O 7a_100000210227_100009817187 [0,1,1,0,0,0|1,0,1]=4 3832 B13R0.54 CCCCOCCCCCOC(=O)C 34a_100000210227_100000033007 [0,1,1,0,0,0|2,0,0]=4 3833 B13R0.54 CCCCOCCCCCOC(=O)C 7a_100000210227_100000033007 [0,1,1,0,0,0|2,0,0]=4 3834 B13R0.54 CCCCOCCCCOCC(=O)N 34a_200000760531_100000187820 [0,1,1,0,0,0|2,0,0]=4 3835 B13R0.54 CCCCOCCCCOCC(=O)N 7a_200000760531_100000187820 [0,1,1,0,0,0|2,0,0]=4 3836 B13R0.54 CCCCOCCCCOCC(=O)[O-] 34a_200000760531_100020667443 [0,1,1,0,0,0|1,0,1]=4 3837 B13R0.54 CCCCOCCCNCCC(=O)N 2230a_200000211371_100000744528 [0,1,1,0,0,0|2,0,0]=4 3838 B13R0.54 CCCCOCCCNCCC(=O)N 34a_200000211371_100000731001 [0,1,1,0,0,0|2,0,0]=4 3839 B13R0.54 CCCCOCCCOCCC(=O)C 7a_200011215613_100000053229 [0,1,1,0,0,0|2,0,0]=4 3840 B13R0.54 CCCCOCCCOCCC(=O)N 34a_200011215613_100000731001 [0,1,1,0,0,0|2,0,0]=4 3841 B13R0.54 CCCCOCCCOCCC(=O)N 7a_200011215613_100000744528 [0,1,1,0,0,0|2,0,0]=4 3842 B13R0.54 CCCCOCCNCCCC(=O)N 34a_100000739312_100000743108 [0,1,1,0,0,0|2,0,0]=4 3843 B13R0.54 CCCCOCCOCCCC(=O)C 34a_100000210238_100000685027 [0,1,1,0,0,0|2,0,0]=4 3844 B13R0.54 CCCCOCCOCCCC(=O)C 34a_100000759063_100000743108 [0,1,1,0,0,0|2,0,0]=4 3845 B13R0.54 CCCCOCCOCCCC(=O)C 7a_100000210238_100011215641 [0,1,1,0,0,0|2,0,0]=4 3846 B13R0.54 CCCCOCCOCCCC(=O)C 7a_100000759063_100000743108 [0,1,1,0,0,0|2,0,0]=4 3847 B13R0.54 CCCCOCCOCCCC(=O)N 34a_100000210238_100102525003 [0,1,1,0,0,0|2,0,0]=4 3848 B13R0.54 CCCCOCCOCCCC(=O)N 7a_100000210238_100102525003 [0,1,1,0,0,0|2,0,0]=4 3849 B13R0.54 CCCCOCCSCCCC(=O)C 62a_100000743108_100011215641 [0,1,1,0,0,0|2,0,0]=4 3850 B13R0.54 CCCCOCCSCCCC(=O)C 62a_100011215641_100000743108 [0,1,1,0,0,0|2,0,0]=4 3851 B13R0.54 CCCCOCCSCCCC(=O)N 62a_100000743108_100102525003 [0,1,1,0,0,0|2,0,0]=4 3852 B13R0.54 CCCCOCCSCCCC(=O)N 62a_100102525003_100000743108 [0,1,1,0,0,0|2,0,0]=4 3853 B13R0.54 CCCCOCNCCCCC(=O)N 34a_100000696515_100011995733 [0,1,1,0,0,0|2,0,0]=4 3854 B13R0.54 CCCCOCNCCOCC(=O)O 269956a_100000700818_100011995733 [0,1,1,0,0,0|2,0,0]=4 3855 B13R0.54 CCCCOCOCCCCC(=O)N 34a_100012022536_100011995733 [0,1,1,0,0,0|2,0,0]=4 3856 B13R0.54 CCCCOCSCCCCC(=O)C 62a_100000735457_100011995733 [0,1,1,0,0,0|2,0,0]=4 3857 B13R0.54 CCCCOCSCCCCC(=O)C 62a_100011995733_100000735457 [0,1,1,0,0,0|2,0,0]=4 3858 B13R0.54 CCCCSCCCCCCB(O)O 62a_100000210211_100009817187 [0,1,1,0,0,0|1,0,1]=4 3859 B13R0.54 CCCCSCCCCCCB(O)O 62a_100009817187_100000210210 [0,1,1,0,0,0|1,0,1]=4 3860 B13R0.54 CCCCSCCCCCOC(=O)C 62a_100000033007_100000210210 [0,1,1,0,0,0|2,0,0]=4 3861 B13R0.54 CCCCSCCCCCOC(=O)C 62a_100000210211_100000033007 [0,1,1,0,0,0|2,0,0]=4 3862 B13R0.54 CCCCSCCOCCCC(=O)C 34a_200000230436_100000685027 [0,1,1,0,0,0|2,0,0]=4 3863 B13R0.54 CCCCSCCOCCCC(=O)C 7a_200000230436_100011215641 [0,1,1,0,0,0|2,0,0]=4 3864 B13R0.54 CCCCSCCOCCCC(=O)N 34a_200000230436_100102525003 [0,1,1,0,0,0|2,0,0]=4 3865 B13R0.54 CCCCSCCOCCCC(=O)N 7a_200000230436_100102525003 [0,1,1,0,0,0|2,0,0]=4 3866 B13R0.54 CCCNCCCCCCNC(=O)C 2230a_200011996284_100000210303 [0,1,1,0,0,0|2,0,0]=4 3867 B13R0.54 CCCNCCCCCCNC(=O)C 34a_200011996284_100000210303 [0,1,1,0,0,0|2,0,0]=4 3868 B13R0.54 CCCNCCOCCOCC(=O)O 269956a_100009854275_100000210207 [0,1,1,0,0,0|2,0,0]=4 3869 B13R0.54 CCCOCCCNCCCC(=O)C 34a_100011217757_100000685027 [0,1,1,0,0,0|2,0,0]=4 3870 B13R0.54 CCCOCCCNCCCC(=O)N 34a_100011217757_100102525003 [0,1,1,0,0,0|2,0,0]=4 3871 B13R0.54 CCCOCCNCCCCC(=O)C 34a_100161115042_100009817362 [0,1,1,0,0,0|2,0,0]=4 3872 B13R0.54 CCCOCCNCCCCC(=O)N 34a_100000696515_100011215938 [0,1,1,0,0,0|2,0,0]=4 3873 B13R0.54 CCCOCCNCCOCC(=O)O 269956a_100000700818_100011215938 [0,1,1,0,0,0|2,0,0]=4 3874 B13R0.54 CCCOCCOCCCCC(=O)C 34a_100000752267_100009817362 [0,1,1,0,0,0|2,0,0]=4 3875 B13R0.54 CCCOCCOCCCCC(=O)C 7a_100000752267_100000735457 [0,1,1,0,0,0|2,0,0]=4 3876 B13R0.54 CCCOCCOCCCCC(=O)N 34a_100012022536_100011215938 [0,1,1,0,0,0|2,0,0]=4 3877 B13R0.54 CCCOCCOCCCCC(=O)N 7a_100012022536_100011215938 [0,1,1,0,0,0|2,0,0]=4 3878 B13R0.54 CCCOCCSCCCCC(=O)C 62a_100000735457_100011215938 [0,1,1,0,0,0|2,0,0]=4 3879 B13R0.54 CCCOCCSCCCCC(=O)C 62a_100011215938_100000735457 [0,1,1,0,0,0|2,0,0]=4 3880 B13R0.54 CCCSCCOCCCCC(=O)C 34a_200000230433_100009817362 [0,1,1,0,0,0|2,0,0]=4 3881 B13R0.54 CCCSCCOCCCCC(=O)C 7a_200000230433_100000735457 [0,1,1,0,0,0|2,0,0]=4 3882 B13R0.54 CCOCCCNCCCCC(=O)C 34a_100000210961_100009817362 [0,1,1,0,0,0|2,0,0]=4 3883 B13R0.54 CCOCCCNCCCCC(=O)N 34a_100000696515_100012232248 [0,1,1,0,0,0|2,0,0]=4 3884 B13R0.54 CCOCCCNCCOCC(=O)O 269956a_100000700818_100012232248 [0,1,1,0,0,0|2,0,0]=4 3885 B13R0.54 CCOCCCOCCCCC(=O)C 34a_100000757476_100009817362 [0,1,1,0,0,0|2,0,0]=4 3886 B13R0.54 CCOCCCOCCCCC(=O)C 7a_100000757476_100000735457 [0,1,1,0,0,0|2,0,0]=4 3887 B13R0.54 CCOCCCOCCCCC(=O)N 34a_100012022536_100012232248 [0,1,1,0,0,0|2,0,0]=4 3888 B13R0.54 CCOCCCOCCCCC(=O)N 7a_100012022536_100012232248 [0,1,1,0,0,0|2,0,0]=4 3889 B13R0.54 CCOCCCSCCCCC(=O)C 62a_100000735457_100012232248 [0,1,1,0,0,0|2,0,0]=4 3890 B13R0.54 CCOCCCSCCCCC(=O)C 62a_100012232248_100000735457 [0,1,1,0,0,0|2,0,0]=4 3891 B13R0.54 CCOCCNCCCCCC(=O)N 2230a_102516460346_100009817443 [0,1,1,0,0,0|2,0,0]=4 3892 B13R0.54 CCOCCNCCCCCC(=O)N 34a_102516460346_100009817443 [0,1,1,0,0,0|2,0,0]=4 3893 B13R0.54 CCOCCOCCCCCC(=O)N 34a_100000123541_100000210147 [0,1,1,0,0,0|2,0,0]=4 3894 B13R0.54 CCOCCOCCCCCC(=O)N 34a_100000210136_100009817443 [0,1,1,0,0,0|2,0,0]=4 3895 B13R0.54 CCOCCOCCCCCC(=O)N 7a_100000123541_100011215890 [0,1,1,0,0,0|2,0,0]=4 3896 B13R0.54 CCOCCOCCCCCC(=O)N 7a_100000210136_100009817443 [0,1,1,0,0,0|2,0,0]=4 3897 B13R0.54 CCOCCOCCCCCC(=O)[O-] 7a_100102619762_100011215890 [0,1,1,0,0,0|1,0,1]=4 3898 B13R0.54 CCOCCSCCCCCC(=O)N 62a_100000210147_100009817443 [0,1,1,0,0,0|2,0,0]=4 3899 B13R0.54 CCOCCSCCCCCC(=O)N 62a_100009817443_100011215890 [0,1,1,0,0,0|2,0,0]=4 3900 B13R0.54 CCSCCCOCCCCC(=O)C 34a_100011216438_100009817362 [0,1,1,0,0,0|2,0,0]=4 3901 B13R0.54 CCSCCCOCCCCC(=O)C 7a_100011216438_100000735457 [0,1,1,0,0,0|2,0,0]=4 3902 B13R0.54 CCSCCNCCCCCC(=O)N 2230a_100000106463_100009817443 [0,1,1,0,0,0|2,0,0]=4 3903 B13R0.54 CCSCCOCCCCCC(=O)N 34a_100000123541_100000757381 [0,1,1,0,0,0|2,0,0]=4 3904 B13R0.54 CCSCCOCCCCCC(=O)N 34a_100000212035_100009817443 [0,1,1,0,0,0|2,0,0]=4 3905 B13R0.54 CCSCCOCCCCCC(=O)N 7a_100000123541_100000757381 [0,1,1,0,0,0|2,0,0]=4 3906 B13R0.54 CCSCCOCCCCCC(=O)N 7a_100000212035_100009817443 [0,1,1,0,0,0|2,0,0]=4 3907 B13R0.54 CCSCCOCCCCCC(=O)[O-] 7a_100102619762_100000757381 [0,1,1,0,0,0|1,0,1]=4 3908 B13R0.54 CCSCCSCCCCCC(=O)N 62a_100000757381_100009817443 [0,1,1,0,0,0|2,0,0]=4 3909 B13R0.54 CCSCCSCCCCCC(=O)N 62a_100009817443_100000757381 [0,1,1,0,0,0|2,0,0]=4 3910 B13R0.54 CNCCCCCOCCCC(=O)C 34a_100000722520_100000685027 [0,1,1,0,0,0|2,0,0]=4 3911 B13R0.54 CNCCCCCOCCCC(=O)N 34a_100000722520_100102525003 [0,1,1,0,0,0|2,0,0]=4 3912 B13R0.54 CNCCCOCCCCCC(=O)N 34a_100000213112_100009817443 [0,1,1,0,0,0|2,0,0]=4 3913 B13R0.54 COCCCCCCNOCC(=O)O 269956a_100000106656_100011998445 [0,1,1,0,0,0|2,0,0]=4 3914 B13R0.54 COCCCCCCOCCC(=O)C 34a_100000759926_100011998445 [0,1,1,0,0,0|2,0,0]=4 3915 B13R0.54 COCCCCCCOCCC(=O)C 7a_100000759926_100011998445 [0,1,1,0,0,0|2,0,0]=4 3916 B13R0.54 COCCCCCCOCCC(=O)C 7a_200012092642_100000053229 [0,1,1,0,0,0|2,0,0]=4 3917 B13R0.54 COCCCCCCOCCC(=O)N 34a_100000757172_100011998445 [0,1,1,0,0,0|2,0,0]=4 3918 B13R0.54 COCCCCCCOCCC(=O)N 34a_200012092642_100000731001 [0,1,1,0,0,0|2,0,0]=4 3919 B13R0.54 COCCCCCCOCCC(=O)N 7a_100000757172_100011998445 [0,1,1,0,0,0|2,0,0]=4 3920 B13R0.54 COCCCCCCOCCC(=O)N 7a_200012092642_100000744528 [0,1,1,0,0,0|2,0,0]=4 3921 B13R0.54 COCCCCCCSCCC(=O)C 62a_100000053229_100011998445 [0,1,1,0,0,0|2,0,0]=4 3922 B13R0.54 COCCCCCCSCCC(=O)C 62a_100011998445_100000053229 [0,1,1,0,0,0|2,0,0]=4 3923 B13R0.54 COCCCCCCSCCC(=O)N 62a_100000744528_100011998445 [0,1,1,0,0,0|2,0,0]=4 3924 B13R0.54 COCCCCCCSCCC(=O)N 62a_100011998445_100000744528 [0,1,1,0,0,0|2,0,0]=4 3925 B13R0.54 COCCCCCNCCCC(=O)C 34a_100000747528_100000685027 [0,1,1,0,0,0|2,0,0]=4 3926 B13R0.54 COCCCCCNCCCC(=O)N 34a_100000747528_100102525003 [0,1,1,0,0,0|2,0,0]=4 3927 B13R0.54 COCCCCNCCCCC(=O)N 34a_100000696515_100000755781 [0,1,1,0,0,0|2,0,0]=4 3928 B13R0.54 COCCCCNCCOCC(=O)O 269956a_100000700818_100000730899 [0,1,1,0,0,0|2,0,0]=4 3929 B13R0.54 COCCCCOCCCCC(=O)C 34a_100000740925_100009817362 [0,1,1,0,0,0|2,0,0]=4 3930 B13R0.54 COCCCCOCCCCC(=O)N 34a_100012022536_100000755781 [0,1,1,0,0,0|2,0,0]=4 3931 B13R0.54 COCCCCOCCCCC(=O)N 7a_100012022536_100000730899 [0,1,1,0,0,0|2,0,0]=4 3932 B13R0.54 COCCCCSCCCCC(=O)C 62a_100000730899_100000735457 [0,1,1,0,0,0|2,0,0]=4 3933 B13R0.54 COCCCCSCCCCC(=O)C 62a_100000735457_100000730899 [0,1,1,0,0,0|2,0,0]=4 3934 B13R0.54 COCCCNCCCCCC(=O)N 34a_100150723488_100009817443 [0,1,1,0,0,0|2,0,0]=4 3935 B13R0.54 COCCCOCCCCCC(=O)N 34a_100000123541_100000740836 [0,1,1,0,0,0|2,0,0]=4 3936 B13R0.54 COCCCOCCCCCC(=O)N 34a_100000740835_100009817443 [0,1,1,0,0,0|2,0,0]=4 3937 B13R0.54 COCCCOCCCCCC(=O)N 7a_100000123541_100000740836 [0,1,1,0,0,0|2,0,0]=4 3938 B13R0.54 COCCCOCCCCCC(=O)[O-] 7a_100102619762_100000740836 [0,1,1,0,0,0|1,0,1]=4 3939 B13R0.54 COCCCSCCCCCC(=O)N 62a_100000709357_100009817443 [0,1,1,0,0,0|2,0,0]=4 3940 B13R0.54 COCCCSCCCCCC(=O)N 62a_100009817443_100000709357 [0,1,1,0,0,0|2,0,0]=4 3941 B13R0.54 CSCCCCOCCCCC(=O)C 34a_100011217163_100009817362 [0,1,1,0,0,0|2,0,0]=4 3942 B13R0.54 CSCCCCOCCCCC(=O)C 7a_100011217163_100000735457 [0,1,1,0,0,0|2,0,0]=4 3943 B13R0.54 CSCCCNCCCCCC(=O)N 2230a_100000749238_100009817443 [0,1,1,0,0,0|2,0,0]=4 3944 B13R0.54 CSCCCOCCCCCC(=O)N 34a_100000690336_100009817443 [0,1,1,0,0,0|2,0,0]=4 3945 B13R0.54 CSCCCOCCCCCC(=O)N 7a_100000690336_100009817443 [0,1,1,0,0,0|2,0,0]=4 3946 B13R0.54 NC(=O)CCCCCNCCCCO 2230a_100000750430_100009817443 [0,1,1,0,0,0|2,0,0]=4 3947 B13R0.54 NC(=O)CCCCCNCCCCO 34a_100000750430_100009817443 [0,1,1,0,0,0|2,0,0]=4 3948 B13R0.54 NC(=O)CCCCCOCCCCBr 34a_100011216708_100009817443 [0,1,1,0,0,0|2,0,0]=4 3949 B13R0.54 NC(=O)CCCCCOCCCCCl 34a_100000210776_100009817443 [0,1,1,0,0,0|2,0,0]=4 3950 B13R0.54 NC(=O)CCCCCOCCCCCl 7a_100000210776_100009817443 [0,1,1,0,0,0|2,0,0]=4 3951 B13R0.54 NC(=O)CCCCCOCCCCF 34a_100000123541_100000729493 [0,1,1,0,0,0|2,0,0]=4 3952 B13R0.54 NC(=O)CCCCCOCCCCF 34a_100011995726_100009817443 [0,1,1,0,0,0|2,0,0]=4 3953 B13R0.54 NC(=O)CCCCCOCCCCF 7a_100000123541_100000729493 [0,1,1,0,0,0|2,0,0]=4 3954 B13R0.54 NC(=O)CCCCCOCCCCF 7a_100011995726_100009817443 [0,1,1,0,0,0|2,0,0]=4 3955 B13R0.54 NC(=O)CCCCCOCCCCI 34a_200012148704_100009817443 [0,1,1,0,0,0|2,0,0]=4 3956 B13R0.54 NC(=O)CCCCCOCCCCO 34a_100000123541_100011216708 [0,1,1,0,0,0|2,0,0]=4 3957 B13R0.54 NC(=O)CCCCCOCCCCO 7a_100000123541_100000210776 [0,1,1,0,0,0|2,0,0]=4 3958 B13R0.54 NC(=O)CCCCCSCCCCF 62a_100000729493_100009817443 [0,1,1,0,0,0|2,0,0]=4 3959 B13R0.54 NC(=O)CCCCCSCCCCF 62a_100009817443_100000729493 [0,1,1,0,0,0|2,0,0]=4 3960 B13R0.54 NC(=O)CCCCCSCCCCO 62a_100000210776_100009817443 [0,1,1,0,0,0|2,0,0]=4 3961 B13R0.54 NC(=O)CCCCCSCCCCO 62a_100009817443_100000210776 [0,1,1,0,0,0|2,0,0]=4 3962 B13R0.54 NC(=O)CCCCNCCCCCF 34a_100000696515_100000729378 [0,1,1,0,0,0|2,0,0]=4 3963 B13R0.54 NC(=O)CCCCNCCCCCO 34a_100000696515_100000746330 [0,1,1,0,0,0|2,0,0]=4 3964 B13R0.54 NC(=O)CCCCOCCCCCF 34a_100012022536_100000729378 [0,1,1,0,0,0|2,0,0]=4 3965 B13R0.54 NC(=O)CCCCOCCCCCF 7a_100012022536_100000729378 [0,1,1,0,0,0|2,0,0]=4 3966 B13R0.54 NC(=O)CCCCOCCCCCO 34a_100012022536_100000746330 [0,1,1,0,0,0|2,0,0]=4 3967 B13R0.54 NC(=O)CCCCOCCCCCO 7a_100012022536_100000746330 [0,1,1,0,0,0|2,0,0]=4 3968 B13R0.54 NC(=O)CCCNCCCCCCF 34a_100000739312_100015922095 [0,1,1,0,0,0|2,0,0]=4 3969 B13R0.54 NC(=O)CCCNCCCCCCO 34a_100000686447_100102525003 [0,1,1,0,0,0|2,0,0]=4 3970 B13R0.54 NC(=O)CCCNCCCCCCO 34a_100000739312_100000766143 [0,1,1,0,0,0|2,0,0]=4 3971 B13R0.54 NC(=O)CCCOCCCCCCBr 34a_100011215345_100102525003 [0,1,1,0,0,0|2,0,0]=4 3972 B13R0.54 NC(=O)CCCOCCCCCCBr 7a_100011215345_100102525003 [0,1,1,0,0,0|2,0,0]=4 3973 B13R0.54 NC(=O)CCCOCCCCCCCl 34a_100000766143_100102525003 [0,1,1,0,0,0|2,0,0]=4 3974 B13R0.54 NC(=O)CCCOCCCCCCCl 7a_100000766143_100102525003 [0,1,1,0,0,0|2,0,0]=4 3975 B13R0.54 NC(=O)CCCOCCCCCCF 34a_100000732779_100102525003 [0,1,1,0,0,0|2,0,0]=4 3976 B13R0.54 NC(=O)CCCOCCCCCCF 7a_100000732779_100102525003 [0,1,1,0,0,0|2,0,0]=4 3977 B13R0.54 NC(=O)CCCSCCCCCCF 62a_100015922095_100102525003 [0,1,1,0,0,0|2,0,0]=4 3978 B13R0.54 NC(=O)CCCSCCCCCCF 62a_100102525003_100015922095 [0,1,1,0,0,0|2,0,0]=4 3979 B13R0.54 NC(=O)CCCSCCCCCCO 62a_100000766143_100102525003 [0,1,1,0,0,0|2,0,0]=4 3980 B13R0.54 NC(=O)CCCSCCCCCCO 62a_100102525003_100000766143 [0,1,1,0,0,0|2,0,0]=4 3981 B13R0.54 NC(=O)CCNCCCCCCCO 2230a_100011996573_100000744528 [0,1,1,0,0,0|2,0,0]=4 3982 B13R0.54 NC(=O)CCNCCCCCCCO 34a_100011996573_100000731001 [0,1,1,0,0,0|2,0,0]=4 3983 B13R0.54 NC(=O)CCOCCCCCCCBr 34a_100000760002_100000731001 [0,1,1,0,0,0|2,0,0]=4 3984 B13R0.54 NC(=O)CCOCCCCCCCBr 7a_100000760002_100000744528 [0,1,1,0,0,0|2,0,0]=4 3985 B13R0.54 NC(=O)CCOCCCCCCCO 34a_100000757172_100000760002 [0,1,1,0,0,0|2,0,0]=4 3986 B13R0.54 NC(=O)CCOCCCCCCCO 7a_100000757172_100000760002 [0,1,1,0,0,0|2,0,0]=4 3987 B13R0.54 NC(=O)CCSCCCCCCCO 62a_100000744528_100000760002 [0,1,1,0,0,0|2,0,0]=4 3988 B13R0.54 NC(=O)CCSCCCCCCCO 62a_100000760002_100000744528 [0,1,1,0,0,0|2,0,0]=4 3989 B13R0.54 NC(=O)CNCCCCCCCCO 2230a_100000711301_100000033203 [0,1,1,0,0,0|2,0,0]=4 3990 B13R0.54 NC(=O)CNCCCCCCCCO 2230a_102515433106_100000747473 [0,1,1,0,0,0|2,0,0]=4 3991 B13R0.54 NC(=O)CNCCCCCCCCO 34a_102515433106_100000187820 [0,1,1,0,0,0|2,0,0]=4 3992 B13R0.54 NC(=O)COCCCCCCCCBr 34a_100009813846_100000187820 [0,1,1,0,0,0|2,0,0]=4 3993 B13R0.54 NC(=O)COCCCCCCCCBr 7a_100009813846_100000187820 [0,1,1,0,0,0|2,0,0]=4 3994 B13R0.54 NC(=O)COCCCCCCCCCl 34a_100000033203_100000187820 [0,1,1,0,0,0|2,0,0]=4 3995 B13R0.54 NC(=O)COCCCCCCCCCl 7a_100000033203_100000187820 [0,1,1,0,0,0|2,0,0]=4 3996 B13R0.54 NC(=O)CSCCCCCCCCO 62a_100000033203_100000747473 [0,1,1,0,0,0|2,0,0]=4 3997 B13R0.54 NC(=O)CSCCCCCCCCO 62a_100000747473_100000033203 [0,1,1,0,0,0|2,0,0]=4 3998 B13R0.54 NCCCCCCCCOCC(=O)N 34a_102515433106_100000187820 [0,1,1,0,0,0|2,0,0]=4 3999 B13R0.54 NCCCCCCCCOCC(=O)[O-] 34a_102515433106_100020667443 [0,1,1,0,0,0|1,0,1]=4 4000 B13R0.54 NCCCCCCCOCCC(=O)N 34a_100011996573_100000731001 [0,1,1,0,0,0|2,0,0]=4 4001 B13R0.54 NCCCCCCOCCCC(=O)N 34a_100000686447_100102525003 [0,1,1,0,0,0|2,0,0]=4 4002 B13R0.54 NCCCCOCCCCCC(=O)N 34a_100000750430_100009817443 [0,1,1,0,0,0|2,0,0]=4 4003 B13R0.54 O=C(O)CNCCCCCCCCO 269956a_100016091260_100000033203 [0,1,1,0,0,0|1,0,0]=3 4004 B13R0.54 O=C(O)COCCNCCCCCF 269956a_100000700818_100000729378 [0,1,1,0,0,0|2,0,0]=4 4005 B13R0.54 O=C(O)COCCNCCCCCO 269956a_100000700818_100000746330 [0,1,1,0,0,0|2,0,0]=4 4006 B13R0.54 O=C(O)CONCCCCCCCO 269956a_100000106656_100000760002 [0,1,1,0,0,0|2,0,0]=4 4007 B13R0.54 O=C([O-])CCCCCOCCCCF 7a_100102619762_100000729493 [0,1,1,0,0,0|1,0,1]=4 4008 B13R0.54 O=C([O-])CCCCCOCCCCO 7a_100102619762_100000210776 [0,1,1,0,0,0|1,0,1]=4 4009 B13R0.54 O=C([O-])CNCCCCCCCCO 34a_102515433106_100020667443 [0,1,1,0,0,0|1,0,1]=4 4010 B13R0.54 O=C([O-])COCCCCCCCCBr 34a_100009813846_100020667443 [0,1,1,0,0,0|1,0,1]=4 4011 B13R0.54 O=C([O-])COCCCCCCCCCl 34a_100000033203_100020667443 [0,1,1,0,0,0|1,0,1]=4 4012 B13R0.54 O=C([O-])CSCCCCCCCCO 62a_100000033203_100020667443 [0,1,1,0,0,0|1,0,1]=4 4013 B13R0.54 O=C([O-])CSCCCCCCCCO 62a_100020667443_100000033203 [0,1,1,0,0,0|1,0,1]=4 4014 B13R0.88 CCCC(C)CCCOCCC(=O)C 7a_100011713154_100000053229 [0,1,1,0,0,0|2,0,0]=4 4015 B13R0.88 CCCC(C)CCCOCCC(=O)N 34a_100011713154_100000731001 [0,1,1,0,0,0|2,0,0]=4 4016 B13R0.88 CCCC(C)CCCOCCC(=O)N 7a_100011713154_100000744528 [0,1,1,0,0,0|2,0,0]=4 4017 B13R0.88 CCCC(C)CCOCCCC(=O)C 34a_100011217855_100000685027 [0,1,1,0,0,0|2,0,0]=4 4018 B13R0.88 CCCC(C)CCOCCCC(=O)C 7a_100011217855_100011215641 [0,1,1,0,0,0|2,0,0]=4 4019 B13R0.88 CCCC(C)CCOCCCC(=O)N 34a_100011217855_100102525003 [0,1,1,0,0,0|2,0,0]=4 4020 B13R0.88 CCCC(C)CCOCCCC(=O)N 7a_100011217855_100102525003 [0,1,1,0,0,0|2,0,0]=4 4021 B13R0.88 CCCC(C)CNCCCCC(=O)N 270004a_100000696515_100000243154 [0,1,1,0,0,0|2,0,0]=4 4022 B13R0.88 CCCC(C)CNCCCCC(=O)N 34a_100000696515_100011216630 [0,1,1,0,0,0|2,0,0]=4 4023 B13R0.88 CCCC(C)CNCCOCC(=O)O 269956a_100000700818_100011216630 [0,1,1,0,0,0|2,0,0]=4 4024 B13R0.88 CCCC(C)COCCCCC(=O)C 34a_100000688023_100009817362 [0,1,1,0,0,0|2,0,0]=4 4025 B13R0.88 CCCC(C)COCCCCC(=O)C 7a_100000688023_100000735457 [0,1,1,0,0,0|2,0,0]=4 4026 B13R0.88 CCCC(C)COCCCCC(=O)N 34a_100012022536_100011216630 [0,1,1,0,0,0|2,0,0]=4 4027 B13R0.88 CCCC(C)COCCCCC(=O)N 7a_100012022536_100011216630 [0,1,1,0,0,0|2,0,0]=4 4028 B13R0.88 CCCC(C)CSCCCCC(=O)C 62a_100000735457_100011216630 [0,1,1,0,0,0|2,0,0]=4 4029 B13R0.88 CCCC(C)CSCCCCC(=O)C 62a_100011216630_100000735457 [0,1,1,0,0,0|2,0,0]=4 4030 B13R0.88 CCCC(C)NCCCCCC(=O)N 2230a_100000741246_100009817443 [0,1,1,0,0,0|2,0,0]=4 4031 B13R0.88 CCCC(C)OCCCCCC(=O)N 34a_100000123541_100000766640 [0,1,1,0,0,0|2,0,0]=4 4032 B13R0.88 CCCC(C)OCCCCCC(=O)N 34a_100000764384_100009817443 [0,1,1,0,0,0|2,0,0]=4 4033 B13R0.88 CCCC(C)OCCCCCC(=O)N 7a_100000123541_100000766640 [0,1,1,0,0,0|2,0,0]=4 4034 B13R0.88 CCCC(C)OCCCCCC(=O)N 7a_100000764384_100009817443 [0,1,1,0,0,0|2,0,0]=4 4035 B13R0.88 CCCC(C)OCCCCCC(=O)[O-] 7a_100102619762_100000766640 [0,1,1,0,0,0|1,0,1]=4 4036 B13R0.88 CCCC(C)SCCCCCC(=O)N 62a_100000766640_100009817443 [0,1,1,0,0,0|2,0,0]=4 4037 B13R0.88 CCCC(C)SCCCCCC(=O)N 62a_100009817443_100000766640 [0,1,1,0,0,0|2,0,0]=4 4038 B13R0.88 CCC[C@H](N)CCOCCCC(=O)C 34a_100015193777_100000685027 [0,1,1,0,0,0|2,0,0]=4 4039 B13R0.88 CCC[C@H](N)CCOCCCC(=O)N 34a_100015193777_100102525003 [0,1,1,0,0,0|2,0,0]=4 4040 B13R0.88 CCC[C@H](N)COCCCCC(=O)C 34a_100000732646_100009817362 [0,1,1,0,0,0|2,0,0]=4 4041 B13R0.147 C#CC(=O)CCCCCCCCCC 1458a_100000211873_100000210319 [0,1,1,0,0,0|1,0,0]=3 4042 B13R0.147 C#CC(=O)CCCCCCCCCO 1458a_100000211873_100009813782 [0,1,1,0,0,0|2,0,0]=4 4043 B13R0.147 C=CC(=O)CCCCCCCCCC 1458a_100000185746_100000210319 [0,1,1,0,0,0|1,0,0]=3 4044 B13R0.147 C=CC(=O)CCCCCCCCCO 1458a_100000185746_100009813782 [0,1,1,0,0,0|2,0,0]=4 4045 B13R0.147 C=CC(=O)NCCCCCCCCC 1626a_100000212291_100000185746 [0,1,1,0,0,0|2,0,0]=4 4046 B13R0.147 C=CC(=O)NCCCCCCCCC 240690a_100000212291_200121576911 [0,1,1,0,0,0|2,0,0]=4 4047 B13R0.147 C=CCCCCCCCCC(=O)CO 1458a_100000210174_100011933949 [0,1,1,0,0,0|0,0,2]=4 4048 B13R0.147 CCC#CCCCCCCC(=O)CO 1458a_100000210174_200000036426 [0,1,1,0,0,0|0,0,2]=4 4049 B13R0.147 CCC(=O)CCCCCCCCCF 1458a_200009909015_100000210202 [0,1,1,0,0,0|2,0,0]=4 4050 B13R0.147 CCC(=O)CCCCCCCCCO 1458a_100000210414_100009813782 [0,1,1,0,0,0|2,0,0]=4 4051 B13R0.147 CCCCCCCCCCC(=O)CC 1458a_100000210375_100000210202 [0,1,1,0,0,0|1,0,0]=3 4052 B13R0.147 CCCCCCCCCCC(=O)CC 1458a_100000210414_100000210319 [0,1,1,0,0,0|1,0,0]=3 4053 B13R0.147 CCCCCCCCCCC(=O)CF 1458a_100000210375_100015361967 [0,1,1,0,0,0|1,0,0]=3 4054 B13R0.147 CCCCCCCCCCC(=O)CO 1458a_100000210174_100000210319 [0,1,1,0,0,0|0,0,0]=2 4055 B13R0.147 CCCCCCCCCCC(=O)NC 11a_106832991635_100000210375 [0,1,1,0,0,0|1,0,0]=3 4056 B13R0.147 CCCCCCCCCCC(=O)NC 1626a_100102657272_100000210375 [0,1,1,0,0,0|1,0,0]=3 4057 B13R0.147 CCCCCCCCCCC(=O)NC 240690a_100102657272_100000210375 [0,1,1,0,0,0|1,0,0]=3 4058 B13R0.147 CCCCCCCCCCC(C)OC 34a_100011215000_200000210301 [0,1,1,0,0,0|1,0,1]=4 4059 B13R0.147 CCCCCCCCCCC(C)OC 7a_100011215000_200000210301 [0,1,1,0,0,0|1,0,1]=4 4060 B13R0.147 CCCCCCCCCCC(C)O[13CH3] 34a_100011215000_200025704644 [0,1,1,0,0,0|1,0,1]=4 4061 B13R0.147 CCCCCCCCCCC(C)O[13CH3] 7a_100011215000_200025704644 [0,1,1,0,0,0|1,0,1]=4 4062 B13R0.147 CCCCCCCCCNC(=O)CC 11a_100000212291_100000210414 [0,1,1,0,0,0|2,0,0]=4 4063 B13R0.147 CCCCCCCCCNC(=O)CC 1626a_100000212291_100000210414 [0,1,1,0,0,0|2,0,0]=4 4064 B13R0.147 CCCCCCCCCNC(=O)CC 240690a_100000212291_100000210414 [0,1,1,0,0,0|2,0,0]=4 4065 B13R0.147 CCCCCCCCCNC(=O)CC 527a_100000212291_100000210414 [0,1,1,0,0,0|2,0,0]=4 4066 B13R0.147 CCCCCCCCCNC(=O)CO 240690a_100000212291_100000210174 [0,1,1,0,0,0|1,0,0]=3 4067 B13R0.147 CCCCCCCCCNC(=O)CO 527a_100000212291_100000210174 [0,1,1,0,0,0|1,0,0]=3 4068 B13R0.147 CCCCCCCCCNC(=O)NC 2708a_100000212291_106832991635 [0,1,1,0,0,0|2,0,0]=4 4069 B13R0.147 CCCCCCCCCNC(=O)NC 2708a_100102657272_100000212291 [0,1,1,0,0,0|2,0,0]=4 4070 B13R0.147 CCCCCCCCCNC(=O)NC 273464a_100000212291_100102657272 [0,1,1,0,0,0|2,0,0]=4 4071 B13R0.147 CCCCCCCCCNC(=O)NC 273464a_100102657272_100000212291 [0,1,1,0,0,0|2,0,0]=4 4072 B13R0.147 CCCCCCCCCNC(=O)NC 512a_100000212291_100102657272 [0,1,1,0,0,0|2,0,0]=4 4073 B13R0.147 CCCCCCCCCNC(=O)NC 512a_106832991638_100000212291 [0,1,1,0,0,0|2,0,0]=4 4074 B13R0.147 CCCCCCCCNCC(=O)NC 2230a_100000229939_100000183359 [0,1,1,0,0,0|2,0,0]=4 4075 B13R0.147 CCCCCCCCNCC(=O)NC 2230a_100000693194_100000210759 [0,1,1,0,0,0|2,0,0]=4 4076 B13R0.147 CCCCCCCCNCC(=O)NC 34a_100000229939_100000183359 [0,1,1,0,0,0|2,0,0]=4 4077 B13R0.147 CCCCCCCCNCC(=O)OC 2230a_100000229939_100000747449 [0,1,1,0,0,0|1,0,0]=3 4078 B13R0.147 CCCCCCCCNCC(=O)OC 34a_100000229939_100000747449 [0,1,1,0,0,0|1,0,0]=3 4079 B13R0.147 CCCCCCCCOCC(=O)CC 1458a_100000759886_100000210202 [0,1,1,0,0,0|2,0,0]=4 4080 B13R0.147 CCCCCCCCOCC(=O)CC 34a_100000725409_100000210759 [0,1,1,0,0,0|2,0,0]=4 4081 B13R0.147 CCCCCCCCOCC(=O)CC 7a_100000210232_100000747405 [0,1,1,0,0,0|2,0,0]=4 4082 B13R0.147 CCCCCCCCOCC(=O)CF 1458a_100000759886_100015361967 [0,1,1,0,0,0|2,0,0]=4 4083 B13R0.147 CCCCCCCCOCC(=O)NC 11a_106832991635_100000759886 [0,1,1,0,0,0|2,0,0]=4 4084 B13R0.147 CCCCCCCCOCC(=O)NC 1626a_100102657272_100000759886 [0,1,1,0,0,0|2,0,0]=4 4085 B13R0.147 CCCCCCCCOCC(=O)NC 240690a_100102657272_100000759886 [0,1,1,0,0,0|2,0,0]=4 4086 B13R0.147 CCCCCCCCOCC(=O)NC 34a_100000210232_100000183359 [0,1,1,0,0,0|2,0,0]=4 4087 B13R0.147 CCCCCCCCOCC(=O)NC 34a_100000750040_100000210759 [0,1,1,0,0,0|2,0,0]=4 4088 B13R0.147 CCCCCCCCOCC(=O)NC 527a_100102657272_100000759886 [0,1,1,0,0,0|2,0,0]=4 4089 B13R0.147 CCCCCCCCOCC(=O)NC 7a_100000210232_100000183359 [0,1,1,0,0,0|2,0,0]=4 4090 B13R0.147 CCCCCCCCOCC(=O)OC 34a_100000210232_100000747449 [0,1,1,0,0,0|1,0,0]=3 4091 B13R0.147 CCCCCCCCOCC(=O)OC 7a_100000210232_100000747449 [0,1,1,0,0,0|1,0,0]=3 4092 B13R0.147 CCCCCCCCSCC(=O)CC 62a_100000210759_100000747405 [0,1,1,0,0,0|2,0,0]=4 4093 B13R0.147 CCCCCCCCSCC(=O)CC 62a_100000747405_100000210317 [0,1,1,0,0,0|2,0,0]=4 4094 B13R0.147 CCCCCCCCSCC(=O)NC 62a_100000183359_100000210317 [0,1,1,0,0,0|2,0,0]=4 4095 B13R0.147 CCCCCCCCSCC(=O)NC 62a_100000210759_100000183359 [0,1,1,0,0,0|2,0,0]=4 4096 B13R0.147 CCCCCCCCSCC(=O)OC 62a_100000210759_100000747449 [0,1,1,0,0,0|1,0,0]=3 4097 B13R0.147 CCCCCCCCSCC(=O)OC 62a_100000747449_100000210317 [0,1,1,0,0,0|1,0,0]=3 4098 B13R0.147 CCCCCCCNCCC(=O)NC 2230a_100000229938_100000737683 [0,1,1,0,0,0|2,0,0]=4 4099 B13R0.147 CCCCCCCNCCC(=O)NC 2230a_100000738227_100000210681 [0,1,1,0,0,0|2,0,0]=4 4100 B13R0.147 CCCCCCCNCCC(=O)NC 34a_100000738227_100000210614 [0,1,1,0,0,0|2,0,0]=4 4101 B13R0.147 CCCCCCCNCCC(=O)OC 2230a_100000229938_100000204255 [0,1,1,0,0,0|1,0,0]=3 4102 B13R0.147 CCCCCCCOCCC(=NO)N 34a_100000749954_100000210614 [0,1,1,0,0,0|2,0,0]=4 4103 B13R0.147 CCCCCCCOCCC(=O)NC 34a_100000210272_100012179268 [0,1,1,0,0,0|2,0,0]=4 4104 B13R0.147 CCCCCCCOCCC(=O)NC 34a_100000754576_100000210614 [0,1,1,0,0,0|2,0,0]=4 4105 B13R0.147 CCCCCCCOCCC(=O)NC 7a_100000210272_100000737683 [0,1,1,0,0,0|2,0,0]=4 4106 B13R0.147 CCCCCCCOCCC(=O)OC 34a_100000210272_100000742370 [0,1,1,0,0,0|1,0,0]=3 4107 B13R0.147 CCCCCCCOCCC(=O)OC 7a_100000210272_100000204255 [0,1,1,0,0,0|1,0,0]=3 4108 B13R0.147 CCCCCCCSCCC(=O)NC 62a_100000210614_100000737683 [0,1,1,0,0,0|2,0,0]=4 4109 B13R0.147 CCCCCCCSCCC(=O)NC 62a_100000737683_100000210316 [0,1,1,0,0,0|2,0,0]=4 4110 B13R0.147 CCCCCCCSCCC(=O)OC 62a_100000204255_100000210316 [0,1,1,0,0,0|1,0,0]=3 4111 B13R0.147 CCCCCCCSCCC(=O)OC 62a_100000210614_100000204255 [0,1,1,0,0,0|1,0,0]=3 4112 B13R0.147 CCCCCCCSCOC(=O)OC 62a_100000210614_100000139417 [0,1,1,0,0,0|2,0,0]=4 4113 B13R0.147 CCCCCCNCCCC(=O)NC 2230a_100000210581_100000741757 [0,1,1,0,0,0|2,0,0]=4 4114 B13R0.147 CCCCCCNCCCC(=O)NC 2230a_100000740002_100000210314 [0,1,1,0,0,0|2,0,0]=4 4115 B13R0.147 CCCCCCNCCCC(=O)NC 34a_100000740002_100000210314 [0,1,1,0,0,0|2,0,0]=4 4116 B13R0.147 CCCCCCNCCCC(=O)OC 2230a_100000210581_100011218270 [0,1,1,0,0,0|1,0,0]=3 4117 B13R0.147 CCCCCCOCCCC(=O)NC 34a_100000210259_100000741757 [0,1,1,0,0,0|2,0,0]=4 4118 B13R0.147 CCCCCCOCCCC(=O)NC 7a_100000210259_100000741757 [0,1,1,0,0,0|2,0,0]=4 4119 B13R0.147 CCCCCCOCCCC(=O)NN 34a_100000211488_100000210314 [0,1,1,0,0,0|2,0,0]=4 4120 B13R0.147 CCCCCCOCCCC(=O)OC 34a_100000210259_100000742333 [0,1,1,0,0,0|1,0,0]=3 4121 B13R0.147 CCCCCCOCCCC(=O)OC 7a_100000210259_100011218270 [0,1,1,0,0,0|1,0,0]=3 4122 B13R0.147 CCCCCCOCCNC(=O)OC 34a_100000757965_100000210314 [0,1,1,0,0,0|2,0,0]=4 4123 B13R0.147 CCCCCCOCCOC(=O)OC 34a_100010262106_100000210314 [0,1,1,0,0,0|2,0,0]=4 4124 B13R0.147 CCCCCCSCCCC(=O)NC 62a_100000210314_100000741757 [0,1,1,0,0,0|2,0,0]=4 4125 B13R0.147 CCCCCCSCCCC(=O)NC 62a_100000741757_100000210757 [0,1,1,0,0,0|2,0,0]=4 4126 B13R0.147 CCCCCCSCCCC(=O)OC 62a_100000210314_100011218270 [0,1,1,0,0,0|1,0,0]=3 4127 B13R0.147 CCCCCCSCCCC(=O)OC 62a_100011218270_100000210757 [0,1,1,0,0,0|1,0,0]=3 4128 B13R0.147 CCCCCNCCCCC(=O)OC 2230a_100000209983_100000204269 [0,1,1,0,0,0|1,0,0]=3 4129 B13R0.147 CCCCCNCCOCC(=O)OC 2230a_100000209983_100000090808 [0,1,1,0,0,0|2,0,0]=4 4130 B13R0.147 CCCCCNCCOCC(=O)OC 34a_100000224656_100000747449 [0,1,1,0,0,0|2,0,0]=4 4131 B13R0.147 CCCCCOCCCCC(=O)OC 34a_100000059025_100000718602 [0,1,1,0,0,0|1,0,0]=3 4132 B13R0.147 CCCCCOCCCCC(=O)OC 34a_100000210253_100000204269 [0,1,1,0,0,0|1,0,0]=3 4133 B13R0.147 CCCCCOCCCCC(=O)OC 7a_100000059025_100000210326 [0,1,1,0,0,0|1,0,0]=3 4134 B13R0.147 CCCCCOCCCCC(=O)OC 7a_100000210253_100000204269 [0,1,1,0,0,0|1,0,0]=3 4135 B13R0.147 CCCCCOCCOCC(=O)OC 34a_100000210253_100000090808 [0,1,1,0,0,0|2,0,0]=4 4136 B13R0.147 CCCCCOCCOCC(=O)OC 34a_100011215259_100000747449 [0,1,1,0,0,0|2,0,0]=4 4137 B13R0.147 CCCCCOCCOCC(=O)OC 7a_100000210253_100000090808 [0,1,1,0,0,0|2,0,0]=4 4138 B13R0.147 CCCCCOCCOCC(=O)OC 7a_100011215259_100000747449 [0,1,1,0,0,0|2,0,0]=4 4139 B13R0.147 CCCCCSCCCCC(=O)OC 62a_100000204269_100000210326 [0,1,1,0,0,0|1,0,0]=3 4140 B13R0.147 CCCCCSCCCCC(=O)OC 62a_100000210326_100000204269 [0,1,1,0,0,0|1,0,0]=3 4141 B13R0.147 CCCCCSCCOCC(=O)OC 62a_100000090808_100000210326 [0,1,1,0,0,0|2,0,0]=4 4142 B13R0.147 CCCCCSCCOCC(=O)OC 62a_100000210326_100000090808 [0,1,1,0,0,0|2,0,0]=4 4143 B13R0.147 CCCCNCCCCCC(=O)OC 2230a_100000102301_100009816466 [0,1,1,0,0,0|1,0,0]=3 4144 B13R0.147 CCCCNCCCCCC(=O)OC 7a_106832991798_100009816466 [0,1,1,0,0,0|1,0,0]=3 4145 B13R0.147 CCCCOCCCCCC(=O)OC 34a_100000074720_100000210210 [0,1,1,0,0,0|1,0,0]=3 4146 B13R0.147 CCCCOCCCCCC(=O)OC 34a_100000210227_100009816466 [0,1,1,0,0,0|1,0,0]=3 4147 B13R0.147 CCCCOCCCCCC(=O)OC 7a_100000074720_100000210211 [0,1,1,0,0,0|1,0,0]=3 4148 B13R0.147 CCCCOCCCCCC(=O)OC 7a_100000210227_100009816466 [0,1,1,0,0,0|1,0,0]=3 4149 B13R0.147 CCCCOCCCNCC(=O)OC 2230a_200000211371_100000747449 [0,1,1,0,0,0|2,0,0]=4 4150 B13R0.147 CCCCOCCCNCC(=O)OC 34a_200000211371_100000747449 [0,1,1,0,0,0|2,0,0]=4 4151 B13R0.147 CCCCOCCCOCC(=O)OC 34a_200011215613_100000747449 [0,1,1,0,0,0|2,0,0]=4 4152 B13R0.147 CCCCOCCCOCC(=O)OC 7a_200011215613_100000747449 [0,1,1,0,0,0|2,0,0]=4 4153 B13R0.147 CCCCOCCOCCC(=O)OC 34a_100000210238_100000742370 [0,1,1,0,0,0|2,0,0]=4 4154 B13R0.147 CCCCOCCOCCC(=O)OC 7a_100000210238_100000204255 [0,1,1,0,0,0|2,0,0]=4 4155 B13R0.147 CCCCOCCSCCC(=O)OC 62a_100000204255_100000743108 [0,1,1,0,0,0|2,0,0]=4 4156 B13R0.147 CCCCOCCSCCC(=O)OC 62a_100000743108_100000204255 [0,1,1,0,0,0|2,0,0]=4 4157 B13R0.147 CCCCOCSCCCC(=O)OC 62a_100011218270_100011995733 [0,1,1,0,0,0|2,0,0]=4 4158 B13R0.147 CCCCOCSCCCC(=O)OC 62a_100011995733_100011218270 [0,1,1,0,0,0|2,0,0]=4 4159 B13R0.147 CCCCSCCCCCC(=O)OC 62a_100000210211_100009816466 [0,1,1,0,0,0|1,0,0]=3 4160 B13R0.147 CCCCSCCCCCC(=O)OC 62a_100009816466_100000210210 [0,1,1,0,0,0|1,0,0]=3 4161 B13R0.147 CCCCSCCNCCC(=O)OC 2230a_100025743550_100000204255 [0,1,1,0,0,0|2,0,0]=4 4162 B13R0.147 CCCCSCCOCCC(=O)OC 34a_200000230436_100000742370 [0,1,1,0,0,0|2,0,0]=4 4163 B13R0.147 CCCCSCCOCCC(=O)OC 7a_200000230436_100000204255 [0,1,1,0,0,0|2,0,0]=4 4164 B13R0.147 CCCOCCCCCCC(=O)OC 34a_100000210258_100009815986 [0,1,1,0,0,0|1,0,0]=3 4165 B13R0.147 CCCOCCCCCCC(=O)OC 34a_100009863599_100000210303 [0,1,1,0,0,0|1,0,0]=3 4166 B13R0.147 CCCOCCCCCCC(=O)OC 7a_100009863599_100000210303 [0,1,1,0,0,0|1,0,0]=3 4167 B13R0.147 CCCOCCCNCCC(=O)OC 2230a_100011217757_100000204255 [0,1,1,0,0,0|2,0,0]=4 4168 B13R0.147 CCCOCCCNCCC(=O)OC 34a_100011217757_100000742370 [0,1,1,0,0,0|2,0,0]=4 4169 B13R0.147 CCCOCCNCCCC(=O)OC 2230a_100161115042_100011218270 [0,1,1,0,0,0|2,0,0]=4 4170 B13R0.147 CCCOCCNCCCC(=O)OC 34a_100161115042_100000742333 [0,1,1,0,0,0|2,0,0]=4 4171 B13R0.147 CCCOCCOCCCC(=O)OC 34a_100000752267_100000742333 [0,1,1,0,0,0|2,0,0]=4 4172 B13R0.147 CCCOCCOCCCC(=O)OC 7a_100000752267_100011218270 [0,1,1,0,0,0|2,0,0]=4 4173 B13R0.147 CCCOCCSCCCC(=O)OC 62a_100011215938_100011218270 [0,1,1,0,0,0|2,0,0]=4 4174 B13R0.147 CCCOCCSCCCC(=O)OC 62a_100011218270_100011215938 [0,1,1,0,0,0|2,0,0]=4 4175 B13R0.147 CCCSCCCCCCC(=O)OC 62a_100000210303_100009815986 [0,1,1,0,0,0|1,0,0]=3 4176 B13R0.147 CCCSCCCCCCC(=O)OC 62a_100009815986_100000210303 [0,1,1,0,0,0|1,0,0]=3 4177 B13R0.147 CCCSCCNCCCC(=O)OC 2230a_100020603323_100011218270 [0,1,1,0,0,0|2,0,0]=4 4178 B13R0.147 CCCSCCOCCCC(=O)OC 34a_200000230433_100000742333 [0,1,1,0,0,0|2,0,0]=4 4179 B13R0.147 CCCSCCOCCCC(=O)OC 7a_200000230433_100011218270 [0,1,1,0,0,0|2,0,0]=4 4180 B13R0.147 CCNCCCCCCCC(=O)OC 2230a_100015525214_100010004213 [0,1,1,0,0,0|1,0,0]=3 4181 B13R0.147 CCOCCCCCCCC(=O)OC 34a_100011022521_100000210202 [0,1,1,0,0,0|1,0,0]=3 4182 B13R0.147 CCOCCCCCCCC(=O)OC 34a_100121572206_100010004213 [0,1,1,0,0,0|1,0,0]=3 4183 B13R0.147 CCOCCCCCCCC(=O)OC 7a_100011022521_100000210202 [0,1,1,0,0,0|1,0,0]=3 4184 B13R0.147 CCOCCCNCCCC(=O)OC 2230a_100000210961_100011218270 [0,1,1,0,0,0|2,0,0]=4 4185 B13R0.147 CCOCCCNCCCC(=O)OC 34a_100000210961_100000742333 [0,1,1,0,0,0|2,0,0]=4 4186 B13R0.147 CCOCCCOCCCC(=O)OC 34a_100000757476_100000742333 [0,1,1,0,0,0|2,0,0]=4 4187 B13R0.147 CCOCCCOCCCC(=O)OC 7a_100000757476_100011218270 [0,1,1,0,0,0|2,0,0]=4 4188 B13R0.147 CCOCCCSCCCC(=O)OC 62a_100011218270_100012232248 [0,1,1,0,0,0|2,0,0]=4 4189 B13R0.147 CCOCCCSCCCC(=O)OC 62a_100012232248_100011218270 [0,1,1,0,0,0|2,0,0]=4 4190 B13R0.147 CCOCCNCCCCC(=O)OC 2230a_102516460346_100000204269 [0,1,1,0,0,0|2,0,0]=4 4191 B13R0.147 CCOCCNCCCCC(=O)OC 34a_102516460346_100000204269 [0,1,1,0,0,0|2,0,0]=4 4192 B13R0.147 CCOCCOCCCCC(=O)OC 34a_100000059025_100000210147 [0,1,1,0,0,0|2,0,0]=4 4193 B13R0.147 CCOCCOCCCCC(=O)OC 34a_100000210136_100000204269 [0,1,1,0,0,0|2,0,0]=4 4194 B13R0.147 CCOCCOCCCCC(=O)OC 7a_100000059025_100011215890 [0,1,1,0,0,0|2,0,0]=4 4195 B13R0.147 CCOCCOCCCCC(=O)OC 7a_100000210136_100000204269 [0,1,1,0,0,0|2,0,0]=4 4196 B13R0.147 CCOCCSCCCCC(=O)OC 62a_100000204269_100011215890 [0,1,1,0,0,0|2,0,0]=4 4197 B13R0.147 CCOCCSCCCCC(=O)OC 62a_100000210147_100000204269 [0,1,1,0,0,0|2,0,0]=4 4198 B13R0.147 CCOCSCCCCCC(=O)OC 62a_100000739092_100009816466 [0,1,1,0,0,0|2,0,0]=4 4199 B13R0.147 CCOCSCCCCCC(=O)OC 62a_100009816466_100000739092 [0,1,1,0,0,0|2,0,0]=4 4200 B13R0.147 CCSCCCCCCCC(=O)OC 62a_100000210202_100010004213 [0,1,1,0,0,0|1,0,0]=3 4201 B13R0.147 CCSCCCCCCCC(=O)OC 62a_100010004213_100000210202 [0,1,1,0,0,0|1,0,0]=3 4202 B13R0.147 CCSCCCOCCCC(=O)OC 34a_100011216438_100000742333 [0,1,1,0,0,0|2,0,0]=4 4203 B13R0.147 CCSCCCOCCCC(=O)OC 7a_100011216438_100011218270 [0,1,1,0,0,0|2,0,0]=4 4204 B13R0.147 CCSCCNCCCCC(=O)OC 2230a_100000106463_100000204269 [0,1,1,0,0,0|2,0,0]=4 4205 B13R0.147 CCSCCOCCCCC(=O)OC 34a_100000059025_100000757381 [0,1,1,0,0,0|2,0,0]=4 4206 B13R0.147 CCSCCOCCCCC(=O)OC 34a_100000212035_100000204269 [0,1,1,0,0,0|2,0,0]=4 4207 B13R0.147 CCSCCOCCCCC(=O)OC 7a_100000059025_100000757381 [0,1,1,0,0,0|2,0,0]=4 4208 B13R0.147 CCSCCOCCCCC(=O)OC 7a_100000212035_100000204269 [0,1,1,0,0,0|2,0,0]=4 4209 B13R0.147 CCSCCSCCCCC(=O)OC 62a_100000204269_100000757381 [0,1,1,0,0,0|2,0,0]=4 4210 B13R0.147 CCSCCSCCCCC(=O)OC 62a_100000757381_100000204269 [0,1,1,0,0,0|2,0,0]=4 4211 B13R0.147 CNC(=O)CCCCCCCCCF 11a_106832991635_200009909015 [0,1,1,0,0,0|2,0,0]=4 4212 B13R0.147 CNC(=O)CCCCCCCCCF 240690a_100102657272_200009909015 [0,1,1,0,0,0|2,0,0]=4 4213 B13R0.147 CNC(=O)CCCCCCCCCF 527a_100102657272_200009909015 [0,1,1,0,0,0|2,0,0]=4 4214 B13R0.147 CNC(=O)CCCCCCCCCO 240690a_100102657272_100000032657 [0,1,1,0,0,0|2,0,0]=4 4215 B13R0.147 CNCCCCCCCCC(=O)OC 2230a_106832991635_100010282707 [0,1,1,0,0,0|1,0,0]=3 4216 B13R0.147 CNCCCCCCCCC(=O)OC 34a_100102657272_100010282707 [0,1,1,0,0,0|1,0,0]=3 4217 B13R0.147 CNCCCCCCCCC(=O)OC 7a_106832991635_100010282707 [0,1,1,0,0,0|1,0,0]=3 4218 B13R0.147 CNCCCCCOCCC(=O)OC 34a_100000722520_100000742370 [0,1,1,0,0,0|2,0,0]=4 4219 B13R0.147 CNCCCOCCCCC(=O)OC 34a_100000213112_100000204269 [0,1,1,0,0,0|2,0,0]=4 4220 B13R0.147 COC(=O)CCCCCCCCO[13CH3] 34a_100000035544_200025704644 [0,1,1,0,0,0|1,0,0]=3 4221 B13R0.147 COC(=O)CCCCCCCCO[13CH3] 7a_100000035544_200025704644 [0,1,1,0,0,0|1,0,0]=3 4222 B13R0.147 COC(=O)CCCCCCCCSC 62a_100010282707_200000210301 [0,1,1,0,0,0|1,0,0]=3 4223 B13R0.147 COC(=O)CCCCCCCCSC 62a_200000210301_100010282707 [0,1,1,0,0,0|1,0,0]=3 4224 B13R0.147 COC(=O)CCCCCCCCS[13CH3] 62a_100010282707_200025704644 [0,1,1,0,0,0|1,0,0]=3 4225 B13R0.147 COC(=O)CCCCCCCCS[13CH3] 62a_200025704644_100010282707 [0,1,1,0,0,0|1,0,0]=3 4226 B13R0.147 COC(=O)CCCCCCCOCF 34a_100011022521_100015361967 [0,1,1,0,0,0|2,0,0]=4 4227 B13R0.147 COC(=O)CCCCCCCOCF 7a_100011022521_100015361967 [0,1,1,0,0,0|2,0,0]=4 4228 B13R0.147 COC(=O)CCCCCCCSCF 62a_100010004213_100015361967 [0,1,1,0,0,0|2,0,0]=4 4229 B13R0.147 COC(=O)CCCCCCCSCF 62a_100015361967_100010004213 [0,1,1,0,0,0|2,0,0]=4 4230 B13R0.147 COC(=O)CCCCCCNCCF 34a_100000724931_100009815986 [0,1,1,0,0,0|2,0,0]=4 4231 B13R0.147 COC(=O)CCCCCCNCCO 2230a_100016997473_100009815986 [0,1,1,0,0,0|2,0,0]=4 4232 B13R0.147 COC(=O)CCCCCCNCCO 34a_100016990907_100009815986 [0,1,1,0,0,0|2,0,0]=4 4233 B13R0.147 COC(=O)CCCCCCOCCBr 34a_100000211926_100009815986 [0,1,1,0,0,0|2,0,0]=4 4234 B13R0.147 COC(=O)CCCCCCOCCF 34a_100009863599_100011217306 [0,1,1,0,0,0|2,0,0]=4 4235 B13R0.147 COC(=O)CCCCCCOCCF 7a_100009863599_100011217306 [0,1,1,0,0,0|2,0,0]=4 4236 B13R0.147 COC(=O)CCCCCCOCCN 34a_100000210304_100009815986 [0,1,1,0,0,0|2,0,0]=4 4237 B13R0.147 COC(=O)CCCCCCOCCO 34a_100009863599_100000211926 [0,1,1,0,0,0|2,0,0]=4 4238 B13R0.147 COC(=O)CCCCCCOCCO 7a_100009863599_100000211926 [0,1,1,0,0,0|2,0,0]=4 4239 B13R0.147 COC(=O)CCCCCCOCSC 34a_100009863599_100011218213 [0,1,1,0,0,0|2,0,0]=4 4240 B13R0.147 COC(=O)CCCCCCSCCF 62a_100009815986_100011217306 [0,1,1,0,0,0|2,0,0]=4 4241 B13R0.147 COC(=O)CCCCCCSCCF 62a_100011217306_100009815986 [0,1,1,0,0,0|2,0,0]=4 4242 B13R0.147 COC(=O)CCCCCCSCCO 62a_100000211926_100009815986 [0,1,1,0,0,0|2,0,0]=4 4243 B13R0.147 COC(=O)CCCCCCSCCO 62a_100009815986_100000211926 [0,1,1,0,0,0|2,0,0]=4 4244 B13R0.147 COC(=O)CCCCCCSCSC 62a_100009815986_100011218213 [0,1,1,0,0,0|2,0,0]=4 4245 B13R0.147 COC(=O)CCCCCCSCSC 62a_100011218213_100009815986 [0,1,1,0,0,0|2,0,0]=4 4246 B13R0.147 COC(=O)CCCCCNCCCF 2230a_100015189416_100009816466 [0,1,1,0,0,0|2,0,0]=4 4247 B13R0.147 COC(=O)CCCCCNCCCF 34a_100015189416_100009816466 [0,1,1,0,0,0|2,0,0]=4 4248 B13R0.147 COC(=O)CCCCCNCCSC 2230a_100020590264_100009816466 [0,1,1,0,0,0|2,0,0]=4 4249 B13R0.147 COC(=O)CCCCCOCCCBr 34a_100011217188_100009816466 [0,1,1,0,0,0|2,0,0]=4 4250 B13R0.147 COC(=O)CCCCCOCCCCl 34a_100000230001_100009816466 [0,1,1,0,0,0|2,0,0]=4 4251 B13R0.147 COC(=O)CCCCCOCCCF 34a_100000074720_100011934791 [0,1,1,0,0,0|2,0,0]=4 4252 B13R0.147 COC(=O)CCCCCOCCCF 34a_100000759539_100009816466 [0,1,1,0,0,0|2,0,0]=4 4253 B13R0.147 COC(=O)CCCCCOCCCF 7a_100000074720_100011934791 [0,1,1,0,0,0|2,0,0]=4 4254 B13R0.147 COC(=O)CCCCCOCCCN 34a_100000182051_100009816466 [0,1,1,0,0,0|2,0,0]=4 4255 B13R0.147 COC(=O)CCCCCOCCCO 34a_100000074720_100000230001 [0,1,1,0,0,0|2,0,0]=4 4256 B13R0.147 COC(=O)CCCCCOCCCO 7a_100000074720_100011215043 [0,1,1,0,0,0|2,0,0]=4 4257 B13R0.147 COC(=O)CCCCCOCCSC 34a_100000074720_100000212216 [0,1,1,0,0,0|2,0,0]=4 4258 B13R0.147 COC(=O)CCCCCOCCSC 34a_100000230434_100009816466 [0,1,1,0,0,0|2,0,0]=4 4259 B13R0.147 COC(=O)CCCCCOCCSC 7a_100000074720_100000212216 [0,1,1,0,0,0|2,0,0]=4 4260 B13R0.147 COC(=O)CCCCCOCCSC 7a_100000230434_100009816466 [0,1,1,0,0,0|2,0,0]=4 4261 B13R0.147 COC(=O)CCCCCSCCCF 62a_100009816466_100011934791 [0,1,1,0,0,0|2,0,0]=4 4262 B13R0.147 COC(=O)CCCCCSCCCF 62a_100011934791_100009816466 [0,1,1,0,0,0|2,0,0]=4 4263 B13R0.147 COC(=O)CCCCCSCCCO 62a_100009816466_100011215043 [0,1,1,0,0,0|2,0,0]=4 4264 B13R0.147 COC(=O)CCCCCSCCCO 62a_100011215043_100009816466 [0,1,1,0,0,0|2,0,0]=4 4265 B13R0.147 COC(=O)CCCCCSCCSC 62a_100000212216_100009816466 [0,1,1,0,0,0|2,0,0]=4 4266 B13R0.147 COC(=O)CCCCCSCCSC 62a_100009816466_100000751147 [0,1,1,0,0,0|2,0,0]=4 4267 B13R0.147 COC(=O)CCCCNCCCCO 2230a_100000750430_100000204269 [0,1,1,0,0,0|2,0,0]=4 4268 B13R0.147 COC(=O)CCCCNCCCCO 34a_100000750430_100000204269 [0,1,1,0,0,0|2,0,0]=4 4269 B13R0.147 COC(=O)CCCCNCCCSC 2230a_100000749238_100000204269 [0,1,1,0,0,0|2,0,0]=4 4270 B13R0.147 COC(=O)CCCCOCCCCBr 34a_100011216708_100000204269 [0,1,1,0,0,0|2,0,0]=4 4271 B13R0.147 COC(=O)CCCCOCCCCCl 34a_100000210776_100000204269 [0,1,1,0,0,0|2,0,0]=4 4272 B13R0.147 COC(=O)CCCCOCCCCCl 7a_100000210776_100000204269 [0,1,1,0,0,0|2,0,0]=4 4273 B13R0.147 COC(=O)CCCCOCCCCF 34a_100000059025_100000729493 [0,1,1,0,0,0|2,0,0]=4 4274 B13R0.147 COC(=O)CCCCOCCCCF 34a_100011995726_100000204269 [0,1,1,0,0,0|2,0,0]=4 4275 B13R0.147 COC(=O)CCCCOCCCCF 7a_100000059025_100000729493 [0,1,1,0,0,0|2,0,0]=4 4276 B13R0.147 COC(=O)CCCCOCCCCF 7a_100011995726_100000204269 [0,1,1,0,0,0|2,0,0]=4 4277 B13R0.147 COC(=O)CCCCOCCCCI 34a_200012148704_100000204269 [0,1,1,0,0,0|2,0,0]=4 4278 B13R0.147 COC(=O)CCCCOCCCCN 34a_100000750430_100000204269 [0,1,1,0,0,0|2,0,0]=4 4279 B13R0.147 COC(=O)CCCCOCCCCO 34a_100000059025_100011216708 [0,1,1,0,0,0|2,0,0]=4 4280 B13R0.147 COC(=O)CCCCOCCCCO 7a_100000059025_100000210776 [0,1,1,0,0,0|2,0,0]=4 4281 B13R0.147 COC(=O)CCCCOCCCSC 34a_100000690336_100000204269 [0,1,1,0,0,0|2,0,0]=4 4282 B13R0.147 COC(=O)CCCCOCCCSC 7a_100000690336_100000204269 [0,1,1,0,0,0|2,0,0]=4 4283 B13R0.147 COC(=O)CCCCSCCCCF 62a_100000204269_100000729493 [0,1,1,0,0,0|2,0,0]=4 4284 B13R0.147 COC(=O)CCCCSCCCCF 62a_100000729493_100000204269 [0,1,1,0,0,0|2,0,0]=4 4285 B13R0.147 COC(=O)CCCCSCCCCO 62a_100000204269_100000210776 [0,1,1,0,0,0|2,0,0]=4 4286 B13R0.147 COC(=O)CCCCSCCCCO 62a_100000210776_100000204269 [0,1,1,0,0,0|2,0,0]=4 4287 B13R0.147 COC(=O)CCCNCCCCCO 2230a_100000762737_100011218270 [0,1,1,0,0,0|2,0,0]=4 4288 B13R0.147 COC(=O)CCCNCCCCCO 34a_100000762737_100000742333 [0,1,1,0,0,0|2,0,0]=4 4289 B13R0.147 COC(=O)CCCOCCCCCBr 34a_100000746331_100000742333 [0,1,1,0,0,0|2,0,0]=4 4290 B13R0.147 COC(=O)CCCOCCCCCBr 7a_100000746331_100011218270 [0,1,1,0,0,0|2,0,0]=4 4291 B13R0.147 COC(=O)CCCOCCCCCCl 34a_100000746330_100000742333 [0,1,1,0,0,0|2,0,0]=4 4292 B13R0.147 COC(=O)CCCOCCCCCCl 7a_100000746330_100011218270 [0,1,1,0,0,0|2,0,0]=4 4293 B13R0.147 COC(=O)CCCOCCCCCI 34a_200012148887_100000742333 [0,1,1,0,0,0|2,0,0]=4 4294 B13R0.147 COC(=O)CCCOCCCCCI 7a_200012148887_100011218270 [0,1,1,0,0,0|2,0,0]=4 4295 B13R0.147 COC(=O)CCCOCCCCCN 34a_100000762737_100000742333 [0,1,1,0,0,0|2,0,0]=4 4296 B13R0.147 COC(=O)CCCOCCCCSC 34a_100011217163_100000742333 [0,1,1,0,0,0|2,0,0]=4 4297 B13R0.147 COC(=O)CCCOCCCCSC 7a_100011217163_100011218270 [0,1,1,0,0,0|2,0,0]=4 4298 B13R0.147 COC(=O)CCCSCCCCCF 62a_100000729378_100011218270 [0,1,1,0,0,0|2,0,0]=4 4299 B13R0.147 COC(=O)CCCSCCCCCF 62a_100011218270_100000729378 [0,1,1,0,0,0|2,0,0]=4 4300 B13R0.147 COC(=O)CCCSCCCCCO 62a_100000746330_100011218270 [0,1,1,0,0,0|2,0,0]=4 4301 B13R0.147 COC(=O)CCCSCCCCCO 62a_100011218270_100000746330 [0,1,1,0,0,0|2,0,0]=4 4302 B13R0.147 COC(=O)CCNCCCCCCO 2230a_100000686447_100000204255 [0,1,1,0,0,0|2,0,0]=4 4303 B13R0.147 COC(=O)CCNCCCCCCO 34a_100000686447_100000742370 [0,1,1,0,0,0|2,0,0]=4 4304 B13R0.147 COC(=O)CCOCCCCCCBr 34a_100011215345_100000742370 [0,1,1,0,0,0|2,0,0]=4 4305 B13R0.147 COC(=O)CCOCCCCCCBr 7a_100011215345_100000204255 [0,1,1,0,0,0|2,0,0]=4 4306 B13R0.147 COC(=O)CCOCCCCCCCl 34a_100000766143_100000742370 [0,1,1,0,0,0|2,0,0]=4 4307 B13R0.147 COC(=O)CCOCCCCCCCl 7a_100000766143_100000204255 [0,1,1,0,0,0|2,0,0]=4 4308 B13R0.147 COC(=O)CCOCCCCCCF 34a_100000732779_100000742370 [0,1,1,0,0,0|2,0,0]=4 4309 B13R0.147 COC(=O)CCOCCCCCCF 7a_100000732779_100000204255 [0,1,1,0,0,0|2,0,0]=4 4310 B13R0.147 COC(=O)CCOCCCCCCN 34a_100000686447_100000742370 [0,1,1,0,0,0|2,0,0]=4 4311 B13R0.147 COC(=O)CCSCCCCCCF 62a_100000204255_100015922095 [0,1,1,0,0,0|2,0,0]=4 4312 B13R0.147 COC(=O)CCSCCCCCCF 62a_100015922095_100000204255 [0,1,1,0,0,0|2,0,0]=4 4313 B13R0.147 COC(=O)CCSCCCCCCO 62a_100000204255_100000766143 [0,1,1,0,0,0|2,0,0]=4 4314 B13R0.147 COC(=O)CCSCCCCCCO 62a_100000766143_100000204255 [0,1,1,0,0,0|2,0,0]=4 4315 B13R0.147 COC(=O)CNCCCCCCCO 2230a_100011996573_100000747449 [0,1,1,0,0,0|2,0,0]=4 4316 B13R0.147 COC(=O)CNCCCCCCCO 34a_100011996573_100000747449 [0,1,1,0,0,0|2,0,0]=4 4317 B13R0.147 COC(=O)COCCCCCCCBr 34a_100000760002_100000747449 [0,1,1,0,0,0|2,0,0]=4 4318 B13R0.147 COC(=O)COCCCCCCCBr 7a_100000760002_100000747449 [0,1,1,0,0,0|2,0,0]=4 4319 B13R0.147 COC(=O)COCCCCCCCN 34a_100011996573_100000747449 [0,1,1,0,0,0|2,0,0]=4 4320 B13R0.147 COC(=O)CSCCCCCCCO 62a_100000747449_100000760002 [0,1,1,0,0,0|2,0,0]=4 4321 B13R0.147 COC(=O)CSCCCCCCCO 62a_100000760002_100000747449 [0,1,1,0,0,0|2,0,0]=4 4322 B13R0.147 COCCCCCCCCC(=O)OC 34a_100000035544_200000210301 [0,1,1,0,0,0|1,0,0]=3 4323 B13R0.147 COCCCCCCCCC(=O)OC 34a_100138415774_100010282707 [0,1,1,0,0,0|1,0,0]=3 4324 B13R0.147 COCCCCCCCCC(=O)OC 7a_100000035544_200000210301 [0,1,1,0,0,0|1,0,0]=3 4325 B13R0.147 COCCCCCCOCC(=O)OC 34a_200012092642_100000747449 [0,1,1,0,0,0|2,0,0]=4 4326 B13R0.147 COCCCCCCOCC(=O)OC 7a_200012092642_100000747449 [0,1,1,0,0,0|2,0,0]=4 4327 B13R0.147 COCCCCCCSCC(=O)OC 62a_100000747449_100011998445 [0,1,1,0,0,0|2,0,0]=4 4328 B13R0.147 COCCCCCCSCC(=O)OC 62a_100011998445_100000747449 [0,1,1,0,0,0|2,0,0]=4 4329 B13R0.147 COCCCCCNCCC(=O)OC 2230a_100000747528_100000204255 [0,1,1,0,0,0|2,0,0]=4 4330 B13R0.147 COCCCCCNCCC(=O)OC 34a_100000747528_100000742370 [0,1,1,0,0,0|2,0,0]=4 4331 B13R0.147 COCCCCOCCCC(=O)OC 34a_100000740925_100000742333 [0,1,1,0,0,0|2,0,0]=4 4332 B13R0.147 COCCCCSCCCC(=O)OC 62a_100000730899_100011218270 [0,1,1,0,0,0|2,0,0]=4 4333 B13R0.147 COCCCCSCCCC(=O)OC 62a_100011218270_100000730899 [0,1,1,0,0,0|2,0,0]=4 4334 B13R0.147 COCCCNCCCCC(=O)OC 34a_100150723488_100000204269 [0,1,1,0,0,0|2,0,0]=4 4335 B13R0.147 COCCCOCCCCC(=O)OC 34a_100000059025_100000740836 [0,1,1,0,0,0|2,0,0]=4 4336 B13R0.147 COCCCOCCCCC(=O)OC 34a_100000740835_100000204269 [0,1,1,0,0,0|2,0,0]=4 4337 B13R0.147 COCCCOCCCCC(=O)OC 7a_100000059025_100000740836 [0,1,1,0,0,0|2,0,0]=4 4338 B13R0.147 COCCCSCCCCC(=O)OC 62a_100000204269_100000709357 [0,1,1,0,0,0|2,0,0]=4 4339 B13R0.147 COCCCSCCCCC(=O)OC 62a_100000709357_100000204269 [0,1,1,0,0,0|2,0,0]=4 4340 B13R0.147 COCCNCCCCCC(=O)OC 2230a_100000209980_100009816466 [0,1,1,0,0,0|2,0,0]=4 4341 B13R0.147 COCCOCCCCCC(=O)OC 34a_100000074720_100011201679 [0,1,1,0,0,0|2,0,0]=4 4342 B13R0.147 COCCOCCCCCC(=O)OC 34a_100000210237_100009816466 [0,1,1,0,0,0|2,0,0]=4 4343 B13R0.147 COCCOCCCCCC(=O)OC 7a_100000074720_100000233755 [0,1,1,0,0,0|2,0,0]=4 4344 B13R0.147 COCCSCCCCCC(=O)OC 62a_100000233755_100009816466 [0,1,1,0,0,0|2,0,0]=4 4345 B13R0.147 COCCSCCCCCC(=O)OC 62a_100009816466_100000233755 [0,1,1,0,0,0|2,0,0]=4 4346 B13R0.147 COCSCCCCCCC(=O)OC 62a_100000766300_100009815986 [0,1,1,0,0,0|2,0,0]=4 4347 B13R0.147 COCSCCCCCCC(=O)OC 62a_100009815986_100000766300 [0,1,1,0,0,0|2,0,0]=4 4348 B13R0.147 O=C(CF)CCCCCCCCCF 1458a_200009909015_100015361967 [0,1,1,0,0,0|2,0,0]=4 4349 B13R0.147 O=C(CO)CCCCCCCCCO 1458a_100000210174_100009813782 [0,1,1,0,0,0|1,0,0]=3 4350 B13R0.147 O=C(CO)NCCCCCCCCO 240690a_102515433106_100000210174 [0,1,1,0,0,0|2,0,0]=4 4351 B13R0.150 CC(CNCCCCCCF)C(=O)O 269956a_100000749485_100015922095 [0,1,1,0,0,0|2,0,0]=4 4352 B13R0.150 CC(CNCCCCCCO)C(=O)O 269956a_100000749485_100000766143 [0,1,1,0,0,0|2,0,0]=4 4353 B13R0.150 CCCCCCCCCN(C)C(=O)C 11a_100000232482_100015343762 [0,1,1,0,0,0|2,0,0]=4 4354 B13R0.150 CCCCCCCCCN(C)C(=O)C 1626a_100000232482_100015343762 [0,1,1,0,0,0|2,0,0]=4 4355 B13R0.150 CCCCCCCCCN(C)C(=O)C 240690a_100000232482_100015343762 [0,1,1,0,0,0|2,0,0]=4 4356 B13R0.150 CCCCCCCCCN(C)C(=O)C 527a_100000232482_100103153847 [0,1,1,0,0,0|2,0,0]=4 4357 B13R0.150 CCCCCCCCNC(C)C(=O)C 2230a_100000229939_100009814033 [0,1,1,0,0,0|2,0,0]=4 4358 B13R0.150 CCCCCCCCNC(C)C(=O)N 2230a_100000229939_100000702099 [0,1,1,0,0,0|2,0,0]=4 4359 B13R0.150 CCCCCCCCNC(C)C(=O)N 34a_100000229939_100000702099 [0,1,1,0,0,0|2,0,0]=4 4360 B13R0.150 CCCCCCCCNC(F)C(=O)N 2230a_100000229939_100009813875 [0,1,1,0,0,0|2,0,0]=4 4361 B13R0.150 CCCCCCCCNC(F)C(=O)N 34a_100000229939_100009813875 [0,1,1,0,0,0|2,0,0]=4 4362 B13R0.150 CCCCCCCCNC(F)C(=O)[O-] 34a_100000229939_100020610796 [0,1,1,0,0,0|1,0,1]=4 4363 B13R0.150 CCCCCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210759 [0,1,1,0,0,0|1,0,0]=3 4364 B13R0.150 CCCCCCCCN[C@H](C)C(=O)N 2230a_100000119354_100000210759 [0,1,1,0,0,0|2,0,0]=4 4365 B13R0.150 CCCCCCCCN[C@H](C)C(=O)N 34a_100000119354_100000210759 [0,1,1,0,0,0|2,0,0]=4 4366 B13R0.150 CCCCCCCCOC(C)C(=O)C 34a_100000212229_100000210759 [0,1,1,0,0,0|2,0,0]=4 4367 B13R0.150 CCCCCCCCOC(C)C(=O)C 7a_100000210232_100000179758 [0,1,1,0,0,0|2,0,0]=4 4368 B13R0.150 CCCCCCCCOC(C)C(=O)N 34a_100000210232_100000702099 [0,1,1,0,0,0|2,0,0]=4 4369 B13R0.150 CCCCCCCCOC(C)C(=O)N 7a_100000210232_100000702099 [0,1,1,0,0,0|2,0,0]=4 4370 B13R0.150 CCCCCCCCOC(F)C(=O)N 34a_100000210232_100009813875 [0,1,1,0,0,0|2,0,0]=4 4371 B13R0.150 CCCCCCCCOC(F)C(=O)N 7a_100000210232_100009813875 [0,1,1,0,0,0|2,0,0]=4 4372 B13R0.150 CCCCCCCCOC(F)C(=O)[O-] 34a_100000210232_100020610796 [0,1,1,0,0,0|1,0,1]=4 4373 B13R0.150 CCCCCCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210759 [0,1,1,0,0,0|1,0,1]=4 4374 B13R0.150 CCCCCCCCO[C@H](C)C(=O)N 34a_100000731257_100000210759 [0,1,1,0,0,0|2,0,0]=4 4375 B13R0.150 CCCCCCCCO[C@H](C)C(=O)N 7a_100000731257_100000210759 [0,1,1,0,0,0|2,0,0]=4 4376 B13R0.150 CCCCCCCCSC(C)C(=O)C 62a_100000210759_100009814033 [0,1,1,0,0,0|2,0,0]=4 4377 B13R0.150 CCCCCCCCSC(C)C(=O)C 62a_100009814033_100000210317 [0,1,1,0,0,0|2,0,0]=4 4378 B13R0.150 CCCCCCCCSC(C)C(=O)N 62a_100000210759_100000702099 [0,1,1,0,0,0|2,0,0]=4 4379 B13R0.150 CCCCCCCCSC(C)C(=O)N 62a_100000702099_100000210317 [0,1,1,0,0,0|2,0,0]=4 4380 B13R0.150 CCCCCCCCSC(F)C(=O)N 62a_100000210759_100009813875 [0,1,1,0,0,0|2,0,0]=4 4381 B13R0.150 CCCCCCCCSC(F)C(=O)N 62a_100009813875_100000210317 [0,1,1,0,0,0|2,0,0]=4 4382 B13R0.150 CCCCCCCCSC(F)C(=O)[O-] 62a_100000210759_100020610796 [0,1,1,0,0,0|1,0,1]=4 4383 B13R0.150 CCCCCCCCSC(F)C(=O)[O-] 62a_100020610796_100000210317 [0,1,1,0,0,0|1,0,1]=4 4384 B13R0.150 CCCCCCCNCC(C)C(=O)O 269956a_100000749485_100000210614 [0,1,1,0,0,0|1,0,0]=3 4385 B13R0.150 CCCCCCCNCC(F)C(=O)O 269956a_100000084737_100000210614 [0,1,1,0,0,0|1,0,0]=3 4386 B13R0.150 CCCCCCCOCC(C)C(=O)C 34a_100000032740_100000210614 [0,1,1,0,0,0|2,0,0]=4 4387 B13R0.150 CCCCCCCOCC(C)C(=O)C 7a_100000032740_100000210614 [0,1,1,0,0,0|2,0,0]=4 4388 B13R0.150 CCCCCCCOC[C@H](N)C(=O)N 34a_100000729942_100000210614 [0,1,1,0,0,0|2,0,0]=4 4389 B13R0.150 CCCCOCCNCC(C)C(=O)O 269956a_100000749485_100000743108 [0,1,1,0,0,0|2,0,0]=4 4390 B13R0.150 CCCCOCCNCC(F)C(=O)O 269956a_100000084737_100000743108 [0,1,1,0,0,0|2,0,0]=4 4391 B13R0.150 COCCCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100011998445 [0,1,1,0,0,0|2,0,0]=4 4392 B13R0.150 C[C@H](NCCCCCCCO)C(=O)O 269956a_100000743915_100000760002 [0,1,1,0,0,0|2,0,0]=4 4393 B13R0.150 O=C(O)C(F)CNCCCCCCF 269956a_100000084737_100015922095 [0,1,1,0,0,0|2,0,0]=4 4394 B13R0.150 O=C(O)C(F)CNCCCCCCO 269956a_100000084737_100000766143 [0,1,1,0,0,0|2,0,0]=4 4395 B13R0.179 CC(=O)CCCCNCCCC(C)C 34a_200000737386_100009817362 [0,1,1,0,0,0|2,0,0]=4 4396 B13R0.179 CC(=O)CCCCOCCCC(C)C 34a_100000210774_100009817362 [0,1,1,0,0,0|2,0,0]=4 4397 B13R0.179 CC(=O)CCCCOCCCC(C)C 7a_100000210774_100000735457 [0,1,1,0,0,0|2,0,0]=4 4398 B13R0.179 CC(=O)CCCCSCCCC(C)C 62a_100000735457_100011214892 [0,1,1,0,0,0|2,0,0]=4 4399 B13R0.179 CC(=O)CCCCSCCCC(C)C 62a_100011214892_100000735457 [0,1,1,0,0,0|2,0,0]=4 4400 B13R0.179 CC(=O)CCCCSCCCC(C)O 62a_100000735457_200000718107 [0,1,1,0,0,0|2,0,0]=4 4401 B13R0.179 CC(=O)CCCCSCCCC(C)O 62a_200000718107_100000735457 [0,1,1,0,0,0|2,0,0]=4 4402 B13R0.179 CC(=O)CCCOCCCCC(C)C 34a_100000759063_100011216152 [0,1,1,0,0,0|2,0,0]=4 4403 B13R0.179 CC(=O)CCCOCCCCC(C)C 34a_100011214890_100000685027 [0,1,1,0,0,0|2,0,0]=4 4404 B13R0.179 CC(=O)CCCOCCCCC(C)C 7a_100000759063_100011216152 [0,1,1,0,0,0|2,0,0]=4 4405 B13R0.179 CC(=O)CCCOCCCCC(C)C 7a_100011214890_100011215641 [0,1,1,0,0,0|2,0,0]=4 4406 B13R0.179 CC(=O)CCCSCCCCC(C)C 62a_100011215641_100011216152 [0,1,1,0,0,0|2,0,0]=4 4407 B13R0.179 CC(=O)CCCSCCCCC(C)C 62a_100011216152_100011215641 [0,1,1,0,0,0|2,0,0]=4 4408 B13R0.179 CC(=O)CCOCCCCCC(C)C 34a_100000759926_100000210682 [0,1,1,0,0,0|2,0,0]=4 4409 B13R0.179 CC(=O)CCOCCCCCC(C)C 7a_100000759926_100000210682 [0,1,1,0,0,0|2,0,0]=4 4410 B13R0.179 CC(=O)CCOCCCCCC(C)C 7a_100011995859_100000053229 [0,1,1,0,0,0|2,0,0]=4 4411 B13R0.179 CC(=O)CCSCCCCCC(C)C 62a_100000053229_100000210682 [0,1,1,0,0,0|2,0,0]=4 4412 B13R0.179 CC(=O)CCSCCCCCC(C)C 62a_100000210682_100000053229 [0,1,1,0,0,0|2,0,0]=4 4413 B13R0.179 CC(Br)CCOCCCCCC(=O)N 34a_100009893172_100009817443 [0,1,1,0,0,0|2,0,0]=4 4414 B13R0.179 CC(C)CCCCCCNCC(=O)N 2230a_100000211014_100000747473 [0,1,1,0,0,0|2,0,0]=4 4415 B13R0.179 CC(C)CCCCCCNCC(=O)N 34a_100000211014_100000187820 [0,1,1,0,0,0|2,0,0]=4 4416 B13R0.179 CC(C)CCCCCCNCC(=O)[O-] 34a_100000211014_100020667443 [0,1,1,0,0,0|1,0,1]=4 4417 B13R0.179 CC(C)CCCCCNCCC(=O)N 2230a_100011290863_100000744528 [0,1,1,0,0,0|2,0,0]=4 4418 B13R0.179 CC(C)CCCCCNCCC(=O)N 34a_100011290863_100000731001 [0,1,1,0,0,0|2,0,0]=4 4419 B13R0.179 CC(C)CCCCCNOCC(=O)O 269956a_100000106656_100000210682 [0,1,1,0,0,0|2,0,0]=4 4420 B13R0.179 CC(C)CCCCCOCCC(=O)N 34a_100000757172_100000210682 [0,1,1,0,0,0|2,0,0]=4 4421 B13R0.179 CC(C)CCCCCOCCC(=O)N 34a_100011995859_100000731001 [0,1,1,0,0,0|2,0,0]=4 4422 B13R0.179 CC(C)CCCCCOCCC(=O)N 7a_100000757172_100000210682 [0,1,1,0,0,0|2,0,0]=4 4423 B13R0.179 CC(C)CCCCCOCCC(=O)N 7a_100011995859_100000744528 [0,1,1,0,0,0|2,0,0]=4 4424 B13R0.179 CC(C)CCCCCSCCC(=O)N 62a_100000210682_100000744528 [0,1,1,0,0,0|2,0,0]=4 4425 B13R0.179 CC(C)CCCCCSCCC(=O)N 62a_100000744528_100000210682 [0,1,1,0,0,0|2,0,0]=4 4426 B13R0.179 CC(C)CCCCNCCCC(=O)N 34a_100000739312_100011216152 [0,1,1,0,0,0|2,0,0]=4 4427 B13R0.179 CC(C)CCCCOCCCC(=O)N 34a_100011214890_100102525003 [0,1,1,0,0,0|2,0,0]=4 4428 B13R0.179 CC(C)CCCCOCCCC(=O)N 7a_100011214890_100102525003 [0,1,1,0,0,0|2,0,0]=4 4429 B13R0.179 CC(C)CCCCSCCCC(=O)N 62a_100011216152_100102525003 [0,1,1,0,0,0|2,0,0]=4 4430 B13R0.179 CC(C)CCCCSCCCC(=O)N 62a_100102525003_100011216152 [0,1,1,0,0,0|2,0,0]=4 4431 B13R0.179 CC(C)CCCNCCCCC(=O)N 34a_100000696515_100011214892 [0,1,1,0,0,0|2,0,0]=4 4432 B13R0.179 CC(C)CCCNCCOCC(=O)O 269956a_100000700818_100011214892 [0,1,1,0,0,0|2,0,0]=4 4433 B13R0.179 CC(C)CCCOCCCCC(=O)N 34a_100012022536_100011214892 [0,1,1,0,0,0|2,0,0]=4 4434 B13R0.179 CC(C)CCCOCCCCC(=O)N 7a_100012022536_100011214892 [0,1,1,0,0,0|2,0,0]=4 4435 B13R0.179 CC(C)CCOCCCCCC(=O)N 34a_100000123541_100000210312 [0,1,1,0,0,0|2,0,0]=4 4436 B13R0.179 CC(C)CCOCCCCCC(=O)N 34a_100000210254_100009817443 [0,1,1,0,0,0|2,0,0]=4 4437 B13R0.179 CC(C)CCOCCCCCC(=O)N 7a_100000123541_100000210626 [0,1,1,0,0,0|2,0,0]=4 4438 B13R0.179 CC(C)CCOCCCCCC(=O)N 7a_100000210254_100009817443 [0,1,1,0,0,0|2,0,0]=4 4439 B13R0.179 CC(C)CCOCCCCCC(=O)[O-] 7a_100102619762_100000210626 [0,1,1,0,0,0|1,0,1]=4 4440 B13R0.179 CC(C)CCSCCCCCC(=O)N 62a_100000210312_100009817443 [0,1,1,0,0,0|2,0,0]=4 4441 B13R0.179 CC(C)CCSCCCCCC(=O)N 62a_100009817443_100000210312 [0,1,1,0,0,0|2,0,0]=4 4442 B13R0.179 CC(O)CCCNCCCCC(=O)N 34a_100000696515_200000718107 [0,1,1,0,0,0|2,0,0]=4 4443 B13R0.179 CC(O)CCCNCCOCC(=O)O 269956a_100000700818_200000718107 [0,1,1,0,0,0|2,0,0]=4 4444 B13R0.179 CC(O)CCCOCCCCC(=O)N 34a_100012022536_200000718107 [0,1,1,0,0,0|2,0,0]=4 4445 B13R0.179 CC(O)CCCOCCCCC(=O)N 7a_100012022536_200000718107 [0,1,1,0,0,0|2,0,0]=4 4446 B13R0.179 CC(O)CCNCCCCCC(=O)N 2230a_200000755665_100009817443 [0,1,1,0,0,0|2,0,0]=4 4447 B13R0.179 CC(O)CCOCCCCCC(=O)N 34a_100000123541_100012276601 [0,1,1,0,0,0|2,0,0]=4 4448 B13R0.179 CC(O)CCOCCCCCC(=O)N 7a_100000123541_100012276601 [0,1,1,0,0,0|2,0,0]=4 4449 B13R0.179 CC(O)CCOCCCCCC(=O)[O-] 7a_100102619762_100012276601 [0,1,1,0,0,0|1,0,1]=4 4450 B13R0.179 CC(O)CCSCCCCCC(=O)N 62a_100009817443_100012276601 [0,1,1,0,0,0|2,0,0]=4 4451 B13R0.179 CC(O)CCSCCCCCC(=O)N 62a_100012276601_100009817443 [0,1,1,0,0,0|2,0,0]=4 4452 B13R0.179 C[C@@H](N)CCOCCCCCC(=O)N 34a_100000706166_100009817443 [0,1,1,0,0,0|2,0,0]=4 4453 B13R0.188 CCCCCC(=O)CCCCC(=O)C 1458a_100000212188_100000735457 [0,1,1,0,0,0|1,0,1]=4 4454 B13R0.188 CCCCCC(C)NCCCC(=O)N 34a_100000739312_200011218191 [0,1,1,0,0,0|2,0,0]=4 4455 B13R0.188 CCCCCC(C)OCCCC(=O)C 34a_100000759063_200011218191 [0,1,1,0,0,0|2,0,0]=4 4456 B13R0.188 CCCCCC(C)OCCCC(=O)C 34a_100011215632_100000685027 [0,1,1,0,0,0|2,0,0]=4 4457 B13R0.188 CCCCCC(C)OCCCC(=O)C 7a_100000759063_200011218191 [0,1,1,0,0,0|2,0,0]=4 4458 B13R0.188 CCCCCC(C)OCCCC(=O)C 7a_100011215632_100011215641 [0,1,1,0,0,0|2,0,0]=4 4459 B13R0.188 CCCCCC(C)OCCCC(=O)N 34a_100011215632_100102525003 [0,1,1,0,0,0|2,0,0]=4 4460 B13R0.188 CCCCCC(C)OCCCC(=O)N 7a_100011215632_100102525003 [0,1,1,0,0,0|2,0,0]=4 4461 B13R0.188 CCCCCC(C)SCCCC(=O)C 62a_100011215641_200011218191 [0,1,1,0,0,0|2,0,0]=4 4462 B13R0.188 CCCCCC(C)SCCCC(=O)C 62a_200011218191_100011215641 [0,1,1,0,0,0|2,0,0]=4 4463 B13R0.188 CCCCCC(C)SCCCC(=O)N 62a_100102525003_200011218191 [0,1,1,0,0,0|2,0,0]=4 4464 B13R0.188 CCCCCC(C)SCCCC(=O)N 62a_200011218191_100102525003 [0,1,1,0,0,0|2,0,0]=4 4465 B13R0.188 CCCCCN(C)CCCCC(=O)C 269982a_100000223495_100000735457 [0,1,1,0,0,0|2,0,0]=4 4466 B13R0.202 CCC(C)CCCCCOCC(=O)N 7a_200000035636_100000187820 [0,1,1,0,0,0|2,0,0]=4 4467 B13R0.202 CCC(C)CCCOCCCC(=O)C 7a_100011216074_100011215641 [0,1,1,0,0,0|2,0,0]=4 4468 B13R0.202 CCC(C)CCCOCCCC(=O)N 7a_100011216074_100102525003 [0,1,1,0,0,0|2,0,0]=4 4469 B13R0.202 CCC(C)CCOCCCCC(=O)C 7a_100011215188_100000735457 [0,1,1,0,0,0|2,0,0]=4 4470 B13R0.202 CCC(C)CNCCCCCC(=O)N 2230a_100020588543_100009817443 [0,1,1,0,0,0|2,0,0]=4 4471 B13R0.202 CCC(C)COCCCCCC(=O)N 34a_100000123541_100000748023 [0,1,1,0,0,0|2,0,0]=4 4472 B13R0.202 CCC(C)COCCCCCC(=O)N 7a_100000123541_100000748023 [0,1,1,0,0,0|2,0,0]=4 4473 B13R0.202 CCC(C)COCCCCCC(=O)[O-] 7a_100102619762_100000748023 [0,1,1,0,0,0|1,0,1]=4 4474 B13R0.202 CCC(C)CSCCCCCC(=O)N 62a_100000748023_100009817443 [0,1,1,0,0,0|2,0,0]=4 4475 B13R0.202 CCC(C)CSCCCCCC(=O)N 62a_100009817443_100000748023 [0,1,1,0,0,0|2,0,0]=4 4476 B13R0.202 CCC(O)CNCCCCCC(=O)N 2230a_100011218483_100009817443 [0,1,1,0,0,0|2,0,0]=4 4477 B13R0.202 CCC(O)COCCCCCC(=O)N 34a_100000123541_100011218378 [0,1,1,0,0,0|2,0,0]=4 4478 B13R0.202 CCC(O)COCCCCCC(=O)N 7a_100000123541_100011218378 [0,1,1,0,0,0|2,0,0]=4 4479 B13R0.202 CCC(O)COCCCCCC(=O)[O-] 7a_100102619762_100011218378 [0,1,1,0,0,0|1,0,1]=4 4480 B13R0.202 CCC(O)CSCCCCCC(=O)N 62a_100009817443_100011218378 [0,1,1,0,0,0|2,0,0]=4 4481 B13R0.202 CCC(O)CSCCCCCC(=O)N 62a_100011218378_100009817443 [0,1,1,0,0,0|2,0,0]=4 4482 B13R0.202 CC[C@H](C)COCCCCCC(=O)N 34a_100000123541_100009816398 [0,1,1,0,0,0|2,0,0]=4 4483 B13R0.202 CC[C@H](C)COCCCCCC(=O)N 7a_100000123541_100009816398 [0,1,1,0,0,0|2,0,0]=4 4484 B13R0.202 CC[C@H](C)COCCCCCC(=O)N 7a_100009816381_100009817443 [0,1,1,0,0,0|2,0,0]=4 4485 B13R0.202 CC[C@H](C)COCCCCCC(=O)[O-] 7a_100102619762_100009816398 [0,1,1,0,0,0|1,0,1]=4 4486 B13R0.202 CC[C@H](C)CSCCCCCC(=O)N 62a_100009816398_100009817443 [0,1,1,0,0,0|2,0,0]=4 4487 B13R0.202 CC[C@H](C)CSCCCCCC(=O)N 62a_100009817443_100009816398 [0,1,1,0,0,0|2,0,0]=4 4488 B13R0.2 C#CCC(=O)CCCCCCCCC 1458a_100000210558_100000184674 [0,1,1,0,0,0|1,0,1]=4 4489 B13R0.2 C#CCC(=O)CCCCCCCCC 1458a_100011220946_100000210670 [0,1,1,0,0,0|1,0,1]=4 4490 B13R0.2 C#CCC(=O)NCCCCCCCC 1626a_100000229939_100011220946 [0,1,1,0,0,0|1,0,1]=4 4491 B13R0.2 C#CCC(=O)NCCCCCCCC 527a_100000229939_100011220946 [0,1,1,0,0,0|1,0,1]=4 4492 B13R0.2 C=CCC(=O)CCCCCCCCC 1458a_100000210193_100000210670 [0,1,1,0,0,0|1,0,1]=4 4493 B13R0.2 C=CCC(=O)CCCCCCCCC 1458a_100000210558_100000210623 [0,1,1,0,0,0|1,0,1]=4 4494 B13R0.2 C=CCC(=O)NCCCCCCCC 11a_100000229939_100000210193 [0,1,1,0,0,0|1,0,1]=4 4495 B13R0.2 C=CCC(=O)NCCCCCCCC 1626a_100000229939_100000210193 [0,1,1,0,0,0|1,0,1]=4 4496 B13R0.2 C=CCC(=O)NCCCCCCCC 240690a_100000229939_100000210193 [0,1,1,0,0,0|1,0,1]=4 4497 B13R0.2 C=CCC(=O)NCCCCCCCC 527a_100000229939_100000210193 [0,1,1,0,0,0|1,0,1]=4 4498 B13R0.2 CC#CC(=O)CCCCCCCCC 1458a_100000763181_100000210670 [0,1,1,0,0,0|1,0,1]=4 4499 B13R0.2 CC=CC(=O)CCCCCCCCC 1458a_100000210699_100000210670 [0,1,1,0,0,0|1,0,1]=4 4500 B13R0.2 CC=CC(=O)NCCCCCCCC 11a_100000229939_100000210699 [0,1,1,0,0,0|1,0,1]=4 4501 B13R0.2 CC=CC(=O)NCCCCCCCC 1626a_100000229939_100000210699 [0,1,1,0,0,0|1,0,1]=4 4502 B13R0.2 CC=CC(=O)NCCCCCCCC 240690a_100000229939_100000210699 [0,1,1,0,0,0|1,0,1]=4 4503 B13R0.2 CCCC(=O)CCCCCCCCO 1458a_100000211992_100000033203 [0,1,1,0,0,0|2,0,0]=4 4504 B13R0.2 CCCC(=O)NCCCCCCCO 240690a_100011996573_100000211992 [0,1,1,0,0,0|2,0,0]=4 4505 B13R0.2 CCCC(=O)OCNCCCCCO 2230a_100000762737_100000034017 [0,1,1,0,0,0|2,0,0]=4 4506 B13R0.2 CCCC(=O)OCNCCCCCO 34a_100000762737_100000034017 [0,1,1,0,0,0|2,0,0]=4 4507 B13R0.2 CCCC(=O)OCNCCCOCC 2230a_100000210961_100000034017 [0,1,1,0,0,0|2,0,0]=4 4508 B13R0.2 CCCC(=O)OCNCCCOCC 34a_100000210961_100000034017 [0,1,1,0,0,0|2,0,0]=4 4509 B13R0.2 CCCC(=O)OCOCCCCCBr 34a_100000746331_100000034017 [0,1,1,0,0,0|2,0,0]=4 4510 B13R0.2 CCCC(=O)OCOCCCCCCl 34a_100000746330_100000034017 [0,1,1,0,0,0|2,0,0]=4 4511 B13R0.2 CCCC(=O)OCOCCCCCI 34a_200012148887_100000034017 [0,1,1,0,0,0|2,0,0]=4 4512 B13R0.2 CCCC(=O)OCOCCCCCN 34a_100000762737_100000034017 [0,1,1,0,0,0|2,0,0]=4 4513 B13R0.2 CCCC(=O)OCOCCCCOC 34a_100000740925_100000034017 [0,1,1,0,0,0|2,0,0]=4 4514 B13R0.2 CCCC(=O)OCOCCCCSC 34a_100011217163_100000034017 [0,1,1,0,0,0|2,0,0]=4 4515 B13R0.2 CCCC(=O)OCOCCCOCC 34a_100000757476_100000034017 [0,1,1,0,0,0|2,0,0]=4 4516 B13R0.2 CCCC(=O)OCOCCCSCC 34a_100011216438_100000034017 [0,1,1,0,0,0|2,0,0]=4 4517 B13R0.2 CCCC(=O)OCSCCCCCF 62a_100000729378_100000034017 [0,1,1,0,0,0|2,0,0]=4 4518 B13R0.2 CCCC(=O)OCSCCCCCO 62a_100000746330_100000034017 [0,1,1,0,0,0|2,0,0]=4 4519 B13R0.2 CCCC(=O)OCSCCCCOC 62a_100000730899_100000034017 [0,1,1,0,0,0|2,0,0]=4 4520 B13R0.2 CCCC(=O)OCSCCCOCC 62a_100012232248_100000034017 [0,1,1,0,0,0|2,0,0]=4 4521 B13R0.2 CCCCCCCC=CC(=O)CCC 1458a_200015332781_100000210303 [0,1,1,0,0,0|1,0,1]=4 4522 B13R0.2 CCCCCCCC=CC(=O)CCF 1458a_200015332781_100011217306 [0,1,1,0,0,0|1,0,1]=4 4523 B13R0.2 CCCCCCCC=CC(=O)CCO 1458a_200015332781_100000211926 [0,1,1,0,0,0|1,0,1]=4 4524 B13R0.2 CCCCCCCC=CC(=O)NCC 11a_100015525214_200015332781 [0,1,1,0,0,0|1,0,1]=4 4525 B13R0.2 CCCCCCCC=CC(=O)NCC 240690a_100015525214_200015332781 [0,1,1,0,0,0|1,0,1]=4 4526 B13R0.2 CCCCCCCCCC(=O)CC#N 1458a_100000210558_100011214920 [0,1,1,0,0,0|1,0,1]=4 4527 B13R0.2 CCCCCCCCCC(=O)CC#N 1458a_100051588842_100000210670 [0,1,1,0,0,0|1,0,1]=4 4528 B13R0.2 CCCCCCCCCC(=O)CCC 1458a_100000210558_100000210303 [0,1,1,0,0,0|1,0,0]=3 4529 B13R0.2 CCCCCCCCCC(=O)CCC 1458a_100000211992_100000210670 [0,1,1,0,0,0|1,0,0]=3 4530 B13R0.2 CCCCCCCCCC(=O)CCF 1458a_100000210558_100011217306 [0,1,1,0,0,0|1,0,0]=3 4531 B13R0.2 CCCCCCCCCC(=O)CCO 1458a_100000210558_100000211926 [0,1,1,0,0,0|1,0,0]=3 4532 B13R0.2 CCCCCCCCCC(=O)CCO 1458a_100011216618_100000210670 [0,1,1,0,0,0|1,0,0]=3 4533 B13R0.2 CCCCCCCCCC(=O)COC 1458a_100000210968_100000210670 [0,1,1,0,0,0|1,0,0]=3 4534 B13R0.2 CCCCCCCCCC(=O)CSC 1458a_100000184570_100000210670 [0,1,1,0,0,0|1,0,0]=3 4535 B13R0.2 CCCCCCCCCC(=O)NCC 11a_100015525214_100000210558 [0,1,1,0,0,0|1,0,0]=3 4536 B13R0.2 CCCCCCCCCC(=O)NCC 240690a_100015525214_100000210558 [0,1,1,0,0,0|1,0,0]=3 4537 B13R0.2 CCCCCCCCCC(=O)NCC 527a_100015525214_100000210558 [0,1,1,0,0,0|1,0,0]=3 4538 B13R0.2 CCCCCCCCCC(=O)NNC 22a_100016993582_100000210558 [0,1,1,0,0,0|2,0,0]=4 4539 B13R0.2 CCCCCCCCNC(=O)CC#N 1626a_100000229939_100051588842 [0,1,1,0,0,0|1,0,1]=4 4540 B13R0.2 CCCCCCCCNC(=O)CC#N 240690a_100000229939_100051588842 [0,1,1,0,0,0|1,0,1]=4 4541 B13R0.2 CCCCCCCCNC(=O)CCC 11a_100000229939_100000211992 [0,1,1,0,0,0|1,0,0]=3 4542 B13R0.2 CCCCCCCCNC(=O)CCC 1626a_100000229939_100000211992 [0,1,1,0,0,0|1,0,0]=3 4543 B13R0.2 CCCCCCCCNC(=O)CCC 240690a_100000229939_100000211992 [0,1,1,0,0,0|1,0,0]=3 4544 B13R0.2 CCCCCCCCNC(=O)CCC 527a_100000229939_100000211992 [0,1,1,0,0,0|1,0,0]=3 4545 B13R0.2 CCCCCCCCNC(=O)CCO 240690a_100000229939_100011216618 [0,1,1,0,0,0|1,0,0]=3 4546 B13R0.2 CCCCCCCCNC(=O)COC 11a_100000229939_100000210968 [0,1,1,0,0,0|1,0,0]=3 4547 B13R0.2 CCCCCCCCNC(=O)COC 1626a_100000229939_100000210968 [0,1,1,0,0,0|1,0,0]=3 4548 B13R0.2 CCCCCCCCNC(=O)COC 240690a_100000229939_100000210968 [0,1,1,0,0,0|1,0,0]=3 4549 B13R0.2 CCCCCCCCNC(=O)COC 527a_100000229939_100000210968 [0,1,1,0,0,0|1,0,0]=3 4550 B13R0.2 CCCCCCCCNC(=O)CSC 11a_100000229939_100000184570 [0,1,1,0,0,0|1,0,0]=3 4551 B13R0.2 CCCCCCCCNC(=O)CSC 1626a_100000229939_100000184570 [0,1,1,0,0,0|1,0,0]=3 4552 B13R0.2 CCCCCCCCNC(=O)CSC 240690a_100000229939_100000184570 [0,1,1,0,0,0|1,0,0]=3 4553 B13R0.2 CCCCCCCCNC(=O)CSC 527a_100000229939_100000184570 [0,1,1,0,0,0|1,0,0]=3 4554 B13R0.2 CCCCCCCCNC(=O)NCC 2708a_100000229939_100015525214 [0,1,1,0,0,0|1,0,0]=3 4555 B13R0.2 CCCCCCCCNC(=O)NCC 2708a_100015525214_100000229939 [0,1,1,0,0,0|1,0,0]=3 4556 B13R0.2 CCCCCCCCNC(=O)NCC 273464a_100000229939_100015525214 [0,1,1,0,0,0|1,0,0]=3 4557 B13R0.2 CCCCCCCCNC(=O)NCC 273464a_100015525214_100000229939 [0,1,1,0,0,0|1,0,0]=3 4558 B13R0.2 CCCCCCCCNC(=O)NCC 512a_100000229939_100015525214 [0,1,1,0,0,0|1,0,0]=3 4559 B13R0.2 CCCCCCCCNC(=O)NCC 512a_100015525214_100000229939 [0,1,1,0,0,0|1,0,0]=3 4560 B13R0.2 CCCCCCCCNC(=O)NNC 273464a_100000229939_100016993582 [0,1,1,0,0,0|2,0,0]=4 4561 B13R0.2 CCCCCCCCNC(=O)NNC 512a_100000229939_100016993582 [0,1,1,0,0,0|2,0,0]=4 4562 B13R0.2 CCCCCCCCNC(=O)NNC 512a_100016993582_100000229939 [0,1,1,0,0,0|2,0,0]=4 4563 B13R0.2 CCCCCCCCOC(C)CCBr 34a_100012276601_100000210759 [0,1,1,0,0,0|1,0,1]=4 4564 B13R0.2 CCCCCCCCOC(C)CCC 34a_100000210232_100000766640 [0,1,1,0,0,0|1,0,1]=4 4565 B13R0.2 CCCCCCCCOC(C)CCC 34a_100000764384_100000210759 [0,1,1,0,0,0|1,0,1]=4 4566 B13R0.2 CCCCCCCCOC(C)CCC 7a_100000210232_100000766640 [0,1,1,0,0,0|1,0,1]=4 4567 B13R0.2 CCCCCCCCOC(C)CCC 7a_100000764384_100000210759 [0,1,1,0,0,0|1,0,1]=4 4568 B13R0.2 CCCCCCCCOC(C)CCO 34a_100000210232_100009893172 [0,1,1,0,0,0|1,0,1]=4 4569 B13R0.2 CCCCCCCCOC(C)CCO 7a_100000210232_100009893172 [0,1,1,0,0,0|1,0,1]=4 4570 B13R0.2 CCCCCCCCOC(C)COC 34a_100000210232_100000765312 [0,1,1,0,0,0|1,0,1]=4 4571 B13R0.2 CCCCCCCCOC(C)COC 7a_100000210232_100000765312 [0,1,1,0,0,0|1,0,1]=4 4572 B13R0.2 CCCCCCCCO[C@H](C)COC 34a_100011934205_100000210759 [0,1,1,0,0,0|1,0,1]=4 4573 B13R0.2 CCCCCCCNCC(=O)CCC 2230a_100000229938_100000747444 [0,1,1,0,0,0|2,0,0]=4 4574 B13R0.2 CCCCCCCNCC(=O)NCC 2230a_100000229938_100000183381 [0,1,1,0,0,0|2,0,0]=4 4575 B13R0.2 CCCCCCCNCC(=O)NCC 2230a_100016988866_100000210681 [0,1,1,0,0,0|2,0,0]=4 4576 B13R0.2 CCCCCCCNCC(=O)OCC 2230a_100000229938_100000188475 [0,1,1,0,0,0|2,0,0]=4 4577 B13R0.2 CCCCCCCOCC(=O)CCC 7a_100000210272_100000747444 [0,1,1,0,0,0|2,0,0]=4 4578 B13R0.2 CCCCCCCOCC(=O)NCC 34a_100000210272_100000183381 [0,1,1,0,0,0|2,0,0]=4 4579 B13R0.2 CCCCCCCOCC(=O)NCC 7a_100000210272_100000183381 [0,1,1,0,0,0|2,0,0]=4 4580 B13R0.2 CCCCCCCOCC(=O)OCC 34a_100000210272_100000188475 [0,1,1,0,0,0|2,0,0]=4 4581 B13R0.2 CCCCCCCOCC(=O)OCC 7a_100000210272_100000188475 [0,1,1,0,0,0|2,0,0]=4 4582 B13R0.2 CCCCCCCSCC(=O)CCC 62a_100000210614_100000747444 [0,1,1,0,0,0|2,0,0]=4 4583 B13R0.2 CCCCCCCSCC(=O)CCC 62a_100000747444_100000210316 [0,1,1,0,0,0|2,0,0]=4 4584 B13R0.2 CCCCCCCSCC(=O)NCC 62a_100000183381_100000210316 [0,1,1,0,0,0|2,0,0]=4 4585 B13R0.2 CCCCCCCSCC(=O)NCC 62a_100000210614_100000183381 [0,1,1,0,0,0|2,0,0]=4 4586 B13R0.2 CCCCCCCSCC(=O)OCC 62a_100000188475_100000210316 [0,1,1,0,0,0|2,0,0]=4 4587 B13R0.2 CCCCCCCSCC(=O)OCC 62a_100000210614_100000188475 [0,1,1,0,0,0|2,0,0]=4 4588 B13R0.2 CCCCCCNCCC(=O)NCC 2230a_100000210581_100000737597 [0,1,1,0,0,0|2,0,0]=4 4589 B13R0.2 CCCCCCNCCC(=O)NCC 34a_100025743525_100000210314 [0,1,1,0,0,0|2,0,0]=4 4590 B13R0.2 CCCCCCNCCC(=O)OCC 2230a_100000210581_100011206558 [0,1,1,0,0,0|2,0,0]=4 4591 B13R0.2 CCCCCCNCOC(=O)CCC 2230a_100000210581_100000034017 [0,1,1,0,0,0|1,0,0]=3 4592 B13R0.2 CCCCCCOCCC(=O)NCC 7a_100000210259_100000737597 [0,1,1,0,0,0|2,0,0]=4 4593 B13R0.2 CCCCCCOCCC(=O)OCC 34a_100000210259_100000765890 [0,1,1,0,0,0|2,0,0]=4 4594 B13R0.2 CCCCCCOCCC(=O)OCC 7a_100000210259_100011206558 [0,1,1,0,0,0|2,0,0]=4 4595 B13R0.2 CCCCCCOCOC(=O)CCC 34a_100000210259_100000034017 [0,1,1,0,0,0|1,0,0]=3 4596 B13R0.2 CCCCCCSCCC(=O)NCC 62a_100000210314_100000737597 [0,1,1,0,0,0|2,0,0]=4 4597 B13R0.2 CCCCCCSCCC(=O)NCC 62a_100000737597_100000210757 [0,1,1,0,0,0|2,0,0]=4 4598 B13R0.2 CCCCCCSCCC(=O)OCC 62a_100000210314_100000765890 [0,1,1,0,0,0|2,0,0]=4 4599 B13R0.2 CCCCCCSCCC(=O)OCC 62a_100000765890_100000210757 [0,1,1,0,0,0|2,0,0]=4 4600 B13R0.2 CCCCCCSCOC(=O)CCC 62a_100000210314_100000034017 [0,1,1,0,0,0|1,0,0]=3 4601 B13R0.2 CCCCCCSCOC(=O)OCC 62a_100000210314_100000075025 [0,1,1,0,0,0|1,0,0]=3 4602 B13R0.2 CCCCCNCCCC(=O)OCC 2230a_100000209983_100009991533 [0,1,1,0,0,0|2,0,0]=4 4603 B13R0.2 CCCCCOCCCC(=O)OCC 34a_100000210253_100009991533 [0,1,1,0,0,0|2,0,0]=4 4604 B13R0.2 CCCCCOCCCC(=O)OCC 7a_100000210253_100011215271 [0,1,1,0,0,0|2,0,0]=4 4605 B13R0.2 CCCCCOCCCC(=O)OCC 7a_100012001163_100000210326 [0,1,1,0,0,0|2,0,0]=4 4606 B13R0.2 CCCCCOCCNC(=O)OCC 34a_100000158857_100000718602 [0,1,1,0,0,0|2,0,0]=4 4607 B13R0.2 CCCCCOCCNC(=O)OCC 7a_100000210253_200011445536 [0,1,1,0,0,0|2,0,0]=4 4608 B13R0.2 CCCCCSCCCC(=O)OCC 62a_100000210326_100009991533 [0,1,1,0,0,0|2,0,0]=4 4609 B13R0.2 CCCCCSCCCC(=O)OCC 62a_100009991533_100000210326 [0,1,1,0,0,0|2,0,0]=4 4610 B13R0.2 CCCCCSCCNC(=O)OCC 62a_100000210326_200011445536 [0,1,1,0,0,0|2,0,0]=4 4611 B13R0.2 CCCCNCCCCC(=O)OCC 2230a_100000102301_100000750268 [0,1,1,0,0,0|2,0,0]=4 4612 B13R0.2 CCCCNCCCCC(=O)OCC 7a_106832991798_100000750268 [0,1,1,0,0,0|2,0,0]=4 4613 B13R0.2 CCCCOCCCCC(=O)OCC 34a_100000210227_100000750268 [0,1,1,0,0,0|2,0,0]=4 4614 B13R0.2 CCCCOCCCCC(=O)OCC 7a_100000210227_100000750268 [0,1,1,0,0,0|2,0,0]=4 4615 B13R0.2 CCCCOCCCNC(=O)CCC 1626a_200000211371_100000211992 [0,1,1,0,0,0|2,0,0]=4 4616 B13R0.2 CCCCOCCCNC(=O)CCC 240690a_200000211371_100000211992 [0,1,1,0,0,0|2,0,0]=4 4617 B13R0.2 CCCCOCCCNC(=O)CCC 527a_200000211371_100000211992 [0,1,1,0,0,0|2,0,0]=4 4618 B13R0.2 CCCCOCCCNC(=O)CCO 240690a_200000211371_100011216618 [0,1,1,0,0,0|2,0,0]=4 4619 B13R0.2 CCCCOCCCNC(=O)COC 1626a_200000211371_100000210968 [0,1,1,0,0,0|2,0,0]=4 4620 B13R0.2 CCCCOCCCNC(=O)COC 240690a_200000211371_100000210968 [0,1,1,0,0,0|2,0,0]=4 4621 B13R0.2 CCCCOCCCNC(=O)COC 527a_200000211371_100000210968 [0,1,1,0,0,0|2,0,0]=4 4622 B13R0.2 CCCCOCCCNC(=O)CSC 1626a_200000211371_100000184570 [0,1,1,0,0,0|2,0,0]=4 4623 B13R0.2 CCCCOCCCNC(=O)CSC 240690a_200000211371_100000184570 [0,1,1,0,0,0|2,0,0]=4 4624 B13R0.2 CCCCOCCCNC(=O)CSC 527a_200000211371_100000184570 [0,1,1,0,0,0|2,0,0]=4 4625 B13R0.2 CCCCOCCCNC(=O)NCC 2708a_100015525214_200000211371 [0,1,1,0,0,0|2,0,0]=4 4626 B13R0.2 CCCCOCCCNC(=O)NCC 2708a_200000211371_100015525214 [0,1,1,0,0,0|2,0,0]=4 4627 B13R0.2 CCCCOCCCNC(=O)NCC 273464a_100015525214_200000211371 [0,1,1,0,0,0|2,0,0]=4 4628 B13R0.2 CCCCOCCCNC(=O)NCC 273464a_200000211371_100015525214 [0,1,1,0,0,0|2,0,0]=4 4629 B13R0.2 CCCCOCCCNC(=O)NCC 512a_100015525214_200000211371 [0,1,1,0,0,0|2,0,0]=4 4630 B13R0.2 CCCCOCCCNC(=O)NCC 512a_200000211371_100015525214 [0,1,1,0,0,0|2,0,0]=4 4631 B13R0.2 CCCCOCSCOC(=O)CCC 62a_100011995733_100000034017 [0,1,1,0,0,0|2,0,0]=4 4632 B13R0.2 CCCCOCSCOC(=O)OCC 62a_100011995733_100000075025 [0,1,1,0,0,0|2,0,0]=4 4633 B13R0.2 CCCCSCCCCC(=O)OCC 62a_100000210211_100000750268 [0,1,1,0,0,0|2,0,0]=4 4634 B13R0.2 CCCCSCCCCC(=O)OCC 62a_100000750268_100000210210 [0,1,1,0,0,0|2,0,0]=4 4635 B13R0.2 CCCOCCCCCC(=O)OCC 34a_100000210258_100000755133 [0,1,1,0,0,0|2,0,0]=4 4636 B13R0.2 CCCOCCCCCC(=O)OCC 7a_100011214988_100000210303 [0,1,1,0,0,0|2,0,0]=4 4637 B13R0.2 CCCOCCNCOC(=O)CCC 2230a_100161115042_100000034017 [0,1,1,0,0,0|2,0,0]=4 4638 B13R0.2 CCCOCCNCOC(=O)CCC 34a_100161115042_100000034017 [0,1,1,0,0,0|2,0,0]=4 4639 B13R0.2 CCCOCCOCOC(=O)CCC 34a_100000752267_100000034017 [0,1,1,0,0,0|2,0,0]=4 4640 B13R0.2 CCCOCCSCOC(=O)CCC 62a_100011215938_100000034017 [0,1,1,0,0,0|2,0,0]=4 4641 B13R0.2 CCCOCCSCOC(=O)OCC 62a_100011215938_100000075025 [0,1,1,0,0,0|2,0,0]=4 4642 B13R0.2 CCCSCCCCCC(=O)OCC 62a_100000210303_100000755133 [0,1,1,0,0,0|2,0,0]=4 4643 B13R0.2 CCCSCCCCCC(=O)OCC 62a_100000755133_100000210303 [0,1,1,0,0,0|2,0,0]=4 4644 B13R0.2 CCCSCCNCOC(=O)CCC 2230a_100020603323_100000034017 [0,1,1,0,0,0|2,0,0]=4 4645 B13R0.2 CCCSCCOCOC(=O)CCC 34a_200000230433_100000034017 [0,1,1,0,0,0|2,0,0]=4 4646 B13R0.2 CCNC(=O)CCCCCCCCO 240690a_100015525214_100000015970 [0,1,1,0,0,0|2,0,0]=4 4647 B13R0.2 CCNC(=O)NCCCCCCCO 2708a_100011996573_100015525214 [0,1,1,0,0,0|2,0,0]=4 4648 B13R0.2 CCNC(=O)NCCCCCCCO 2708a_100015525214_100011996573 [0,1,1,0,0,0|2,0,0]=4 4649 B13R0.2 CCNC(=O)NCCCCCCCO 273464a_100011996573_100015525214 [0,1,1,0,0,0|2,0,0]=4 4650 B13R0.2 CCNC(=O)NCCCCCCCO 273464a_100015525214_100011996573 [0,1,1,0,0,0|2,0,0]=4 4651 B13R0.2 CCNC(=O)NCCCCCCCO 512a_100011996573_100015525214 [0,1,1,0,0,0|2,0,0]=4 4652 B13R0.2 CCNC(=O)NCCCCCCCO 512a_100015525214_100011996573 [0,1,1,0,0,0|2,0,0]=4 4653 B13R0.2 CCNCCCCCCC(=O)OCC 2230a_100015525214_100009814379 [0,1,1,0,0,0|2,0,0]=4 4654 B13R0.2 CCOC(=O)CCCCCCCNC 2230a_106832991635_100009991516 [0,1,1,0,0,0|2,0,0]=4 4655 B13R0.2 CCOC(=O)CCCCCCCNC 34a_100102657272_100009991516 [0,1,1,0,0,0|2,0,0]=4 4656 B13R0.2 CCOC(=O)CCCCCCCNC 7a_106832991635_100009991516 [0,1,1,0,0,0|2,0,0]=4 4657 B13R0.2 CCOC(=O)CCCCCCCOC 34a_100138415774_100009991516 [0,1,1,0,0,0|2,0,0]=4 4658 B13R0.2 CCOC(=O)CCCCCCCSC 62a_200000210301_100009991516 [0,1,1,0,0,0|2,0,0]=4 4659 B13R0.2 CCOC(=O)CCCCCCCS[13CH3] 62a_200025704644_100009991516 [0,1,1,0,0,0|2,0,0]=4 4660 B13R0.2 CCOC(=O)CCCCCCSCC 62a_100000210202_100009814379 [0,1,1,0,0,0|2,0,0]=4 4661 B13R0.2 CCOC(=O)OCSCCCCCF 62a_100000729378_100000075025 [0,1,1,0,0,0|2,0,0]=4 4662 B13R0.2 CCOC(=O)OCSCCCCCO 62a_100000746330_100000075025 [0,1,1,0,0,0|2,0,0]=4 4663 B13R0.2 CCOC(=O)OCSCCCCOC 62a_100000730899_100000075025 [0,1,1,0,0,0|2,0,0]=4 4664 B13R0.2 CCOCCCCCCC(=O)OCC 34a_100121572206_100009814379 [0,1,1,0,0,0|2,0,0]=4 4665 B13R0.2 CCOCCCSCOC(=O)OCC 62a_100012232248_100000075025 [0,1,1,0,0,0|2,0,0]=4 4666 B13R0.2 COCC(=O)CCCCCCCCO 1458a_100000210968_100000033203 [0,1,1,0,0,0|2,0,0]=4 4667 B13R0.2 COCC(=O)NCCCCCCCO 240690a_100011996573_100000210968 [0,1,1,0,0,0|2,0,0]=4 4668 B13R0.2 CSCC(=O)CCCCCCCCO 1458a_100000184570_100000033203 [0,1,1,0,0,0|2,0,0]=4 4669 B13R0.2 CSCC(=O)NCCCCCCCO 240690a_100011996573_100000184570 [0,1,1,0,0,0|2,0,0]=4 4670 B13R0.2 O=C(CCO)CCCCCCCCO 1458a_100011216618_100000033203 [0,1,1,0,0,0|2,0,0]=4 4671 B13R0.2 O=C(CCO)NCCCCCCCO 240690a_100011996573_100011216618 [0,1,1,0,0,0|2,0,0]=4 4672 B13R0.87 CCC(=O)OCCOCC(O)COC 7a_200000031056_100011215053 [0,1,1,0,0,0|2,0,0]=4 4673 B13R0.87 CCCC(=O)COCCOC(=O)CC 7a_200000031056_100000747444 [0,1,1,0,0,0|1,0,1]=4 4674 B13R0.87 CCCC(C)CCCOCC(=O)CC 7a_100011713154_100000747405 [0,1,1,0,0,0|2,0,0]=4 4675 B13R0.87 CCCC(C)CNCCNC(=O)CC 270004a_100132302217_100000243154 [0,1,1,0,0,0|2,0,0]=4 4676 B13R0.87 CCCC(C)CNCCNC(=O)CC 34a_100132302217_100011216630 [0,1,1,0,0,0|2,0,0]=4 4677 B13R0.87 CCCC(C)COCCNC(=O)CC 34a_200000158885_100011216630 [0,1,1,0,0,0|2,0,0]=4 4678 B13R0.87 CCCC(C)COCCNC(=O)CC 7a_200000158885_100011216630 [0,1,1,0,0,0|2,0,0]=4 4679 B13R0.87 CCCC(C)COCCOC(=O)CC 7a_200000031056_100011216630 [0,1,1,0,0,0|1,0,0]=3 4680 B13R0.87 CCCC(C)COCCOC(=O)NC 34a_100000688023_200011997002 [0,1,1,0,0,0|2,0,0]=4 4681 B13R0.87 CCCC(C)COCCOC(=O)NC 7a_100000688023_200011997002 [0,1,1,0,0,0|2,0,0]=4 4682 B13R0.87 CCCC(C)COCCOC(=O)OC 34a_100010262106_100011216630 [0,1,1,0,0,0|2,0,0]=4 4683 B13R0.87 CCCC(C)CSCCOC(=O)NC 62a_100011216630_200011997002 [0,1,1,0,0,0|2,0,0]=4 4684 B13R0.87 CCCC(C)CSCCOC(=O)NC 62a_200011997002_100011216630 [0,1,1,0,0,0|2,0,0]=4 4685 B13R0.87 CCC[C@H](N)COCCOC(=O)NC 34a_100000732646_200011997002 [0,1,1,0,0,0|2,0,0]=4 4686 B13R0.194 CCCCCC(=O)CCOC(=O)NC 1458a_100000212188_200011997002 [0,1,1,0,0,0|1,0,1]=4 4687 B13R0.194 CCCCCC(C)SCOC(=O)OC 62a_200011218191_100000139417 [0,1,1,0,0,0|2,0,0]=4 4688 B13R0.194 CCCCCC(O)CCCC(=O)NC 1626a_100102657272_100020618878 [0,1,1,0,0,0|2,0,0]=4 4689 B13R0.194 CCCCCC(O)CCCC(=O)NC 240690a_100102657272_100020618878 [0,1,1,0,0,0|2,0,0]=4 4690 B13R0.194 CCCCCC(O)CCCC(=O)NC 527a_100102657272_100020618878 [0,1,1,0,0,0|2,0,0]=4 4691 B13R0.194 CCCCCN(C)CCOC(=O)NC 269982a_100000223495_200011997002 [0,1,1,0,0,0|2,0,0]=4 4692 B13R0.201 CCC(C)CCCCCOC(C)CC 7a_200000035636_100000758301 [0,1,1,0,0,0|1,0,1]=4 4693 B13R0.201 CCC(C)CCOCCOC(=O)NC 7a_100011215188_200011997002 [0,1,1,0,0,0|2,0,0]=4 4694 B13R0.340 CCCCCCCCC(=O)C(=O)NC 1458a_100011218921_100000210759 [0,1,1,0,0,0|2,0,0]=4 4695 B13R0.340 CCCCCCCCC(O)C(=O)CC 1458a_200011995895_100000210202 [0,1,1,0,0,0|1,0,0]=3 4696 B13R0.340 CCCCCCCCC(O)C(=O)CF 1458a_200011995895_100015361967 [0,1,1,0,0,0|2,0,0]=4 4697 B13R0.340 CCCCCCCCC(O)C(=O)NC 240690a_100102657272_200011995895 [0,1,1,0,0,0|2,0,0]=4 4698 B13R0.340 CCCCCCCCN(C)C(=O)CC 11a_100000207567_100000210414 [0,1,1,0,0,0|1,0,0]=3 4699 B13R0.340 CCCCCCCCN(C)C(=O)CC 1626a_100000207567_100000210414 [0,1,1,0,0,0|1,0,0]=3 4700 B13R0.340 CCCCCCCCN(C)C(=O)CC 240690a_100000207567_100000210414 [0,1,1,0,0,0|1,0,0]=3 4701 B13R0.340 CCCCCCCCN(C)C(=O)CC 527a_100000207567_100000210414 [0,1,1,0,0,0|1,0,0]=3 4702 B13R0.340 CCCCCCCCN(C)C(=O)CO 240690a_100000207567_100000210174 [0,1,1,0,0,0|2,0,0]=4 4703 B13R0.340 CCCCCCCCN(C)C(=O)CO 527a_100000207567_100000210174 [0,1,1,0,0,0|2,0,0]=4 4704 B13R0.340 CCCCCCCCN(C)C(=O)NC 2708a_100102657272_100000207567 [0,1,1,0,0,0|2,0,0]=4 4705 B13R0.340 CCCCCCCCN(C)C(=O)NC 273464a_100102657272_100000207567 [0,1,1,0,0,0|2,0,0]=4 4706 B13R0.340 CCCCCCCNC(C)C(=O)CC 2230a_100000229938_100000742827 [0,1,1,0,0,0|2,0,0]=4 4707 B13R0.340 CCCCCCCOC(C)C(=O)CC 7a_100000210272_100000742827 [0,1,1,0,0,0|2,0,0]=4 4708 B13R0.340 CCCCCCCSC(C)C(=O)CC 62a_100000210614_100000742827 [0,1,1,0,0,0|2,0,0]=4 4709 B13R0.340 CCCCCCCSC(C)C(=O)CC 62a_100000742827_100000210316 [0,1,1,0,0,0|2,0,0]=4 4710 B13R0.412 C#CC(CC)OCCCCCCCC 34a_100000758843_100000210759 [0,1,1,0,0,0|1,0,1]=4 4711 B13R0.412 C#CC(CC)OCCCCCCCC 7a_100000758843_100000210759 [0,1,1,0,0,0|1,0,1]=4 4712 B13R0.412 C=CC(CC)OCCCCCCCC 34a_100000766422_100000210759 [0,1,1,0,0,0|1,0,1]=4 4713 B13R0.412 C=CC(CC)OCCCCCCCC 7a_100000766422_100000210759 [0,1,1,0,0,0|1,0,1]=4 4714 B13R0.412 CCCCCCCCOC(CC)CC 7a_100000210232_100000210505 [0,1,1,0,0,0|1,0,1]=4 4715 B13R0.412 CCCCCCCCOC(CC)CC 7a_100000688536_100000210759 [0,1,1,0,0,0|1,0,1]=4 4716 B13R0.1170 CCCCCCC(=O)CNC(=O)CC 1458a_100000194589_100000210757 [0,1,1,0,0,0|1,0,1]=4 4717 B13R0.1170 CCCCCCC(C)OCC(=O)CC 34a_100000725409_100011215978 [0,1,1,0,0,0|2,0,0]=4 4718 B13R0.1170 CCCCCCC(C)OCC(=O)CC 7a_100000210265_100000747405 [0,1,1,0,0,0|2,0,0]=4 4719 B13R0.1170 CCCCCCC(C)SCC(=O)CC 62a_100000747405_100011215978 [0,1,1,0,0,0|2,0,0]=4 4720 B13R0.1170 CCCCCCC(C)SCC(=O)CC 62a_100011215978_100000747405 [0,1,1,0,0,0|2,0,0]=4 4721 B13R0.1215 CCCCCCCCNS(=O)(=O)CC 270084a_100000229939_100000211323 [0,1,1,0,0,0|2,0,0]=4 4722 B13R0.1215 CCCCCCCCNS(=O)(=O)CC 274078a_100000229939_100000211323 [0,1,1,0,0,0|2,0,0]=4 4723 B13R0.1215 CCCCCCCCNS(=O)(=O)CC 40a_100000229939_100000053943 [0,1,1,0,0,0|2,0,0]=4 4724 B13R0.1215 CCCCCCCCOC(C)(C)CC 7a_100000210230_100000210759 [0,1,1,0,0,0|1,0,1]=4 4725 B13R0.1215 CCCCCCCCOC(C)(C)CC 7a_100000210232_100000210677 [0,1,1,0,0,0|1,0,1]=4 4726 B13R1.23 CCCCCC(=O)C1CCC(=O)N1 1458a_100000210400_100000210326 [1,1,0,0,0,0|1,0,1]=4 4727 B13R1.23 CCCCCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100000210326 [1,1,0,0,0,0|0,0,1]=3 4728 B13R1.23 CCCCNC(=O)[C@@H]1CCC(=O)O1 11a_100000102301_100009814974 [1,1,0,0,0,0|1,0,1]=4 4729 B13R1.23 CCCCNC(=O)[C@@H]1CCC(=O)O1 1626a_100000102301_100009814974 [1,1,0,0,0,0|1,0,1]=4 4730 B13R1.23 CCCCNC(=O)[C@@H]1CCC(=O)O1 240690a_100000102301_100009814974 [1,1,0,0,0,0|1,0,1]=4 4731 B13R1.23 CCCCNC(=O)[C@@H]1CCC(=O)O1 527a_100000102301_100009814974 [1,1,0,0,0,0|1,0,1]=4 4732 B13R1.23 CCOCCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100011215890 [1,1,0,0,0,0|1,0,1]=4 4733 B13R1.23 CCSCCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100000757381 [1,1,0,0,0,0|1,0,1]=4 4734 B13R1.23 COCCCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100000740836 [1,1,0,0,0,0|1,0,1]=4 4735 B13R1.23 O=C1CC[C@H](O1)C(=O)CCCCF 1458a_100009814974_100000729493 [1,1,0,0,0,0|1,0,1]=4 4736 B13R1.23 O=C1CC[C@H](O1)C(=O)CCCCO 1458a_100009814974_100000210776 [1,1,0,0,0,0|1,0,1]=4 4737 B13R1.41 CCCC(C)COC1CCC(=O)C1 34a_100012614533_100011216630 [1,1,0,0,0,0|2,0,0]=4 4738 B13R1.41 CCCC(C)COC1COC(=O)O1 34a_100000688023_100000032252 [1,1,0,0,0,0|2,0,0]=4 4739 B13R1.41 CCCC(C)CSC1COC(=O)O1 62a_100011216630_100000032252 [1,1,0,0,0,0|2,0,0]=4 4740 B13R1.41 CCCC(C)NCC1CNC(=O)O1 2230a_100000741246_100000181169 [1,1,0,0,0,0|2,0,0]=4 4741 B13R1.41 CCCC(C)NC[C@@H]1CCC(=O)N1 2230a_100000741246_100015189358 [1,1,0,0,0,0|2,0,0]=4 4742 B13R1.41 CCCC(C)NC[C@H]1CCC(=O)N1 2230a_100015423886_100000766640 [1,1,0,0,0,0|2,0,0]=4 4743 B13R1.41 CCCC(C)NC[C@H]1CCC(=O)N1 270004a_100015423886_100000211909 [1,1,0,0,0,0|2,0,0]=4 4744 B13R1.41 CCCC(C)NC[C@H]1CCC(=O)N1 34a_100015423886_100000766640 [1,1,0,0,0,0|2,0,0]=4 4745 B13R1.41 CCCC(C)OCC1CCC(=O)N1 34a_100000737831_100000766640 [1,1,0,0,0,0|2,0,0]=4 4746 B13R1.41 CCCC(C)OCC1CNC(=O)O1 34a_100000764384_100000181169 [1,1,0,0,0,0|2,0,0]=4 4747 B13R1.41 CCCC(C)OCC1CNC(=O)O1 34a_100011315639_100000766640 [1,1,0,0,0,0|2,0,0]=4 4748 B13R1.41 CCCC(C)OCC1CNC(=O)O1 7a_100000764384_100000181169 [1,1,0,0,0,0|2,0,0]=4 4749 B13R1.41 CCCC(C)OCC1COC(=O)O1 34a_100000764384_100000073702 [1,1,0,0,0,0|2,0,0]=4 4750 B13R1.41 CCCC(C)OC[C@@H]1CCC(=O)N1 7a_100000764384_100015189358 [1,1,0,0,0,0|2,0,0]=4 4751 B13R1.41 CCCC(C)SCC1CNC(=O)O1 62a_100000181169_100000766640 [1,1,0,0,0,0|2,0,0]=4 4752 B13R1.41 CCCC(C)SCC1CNC(=O)O1 62a_100000766640_100000181169 [1,1,0,0,0,0|2,0,0]=4 4753 B13R1.41 CCCC(C)SCC1COC(=O)O1 62a_100000073702_100000766640 [1,1,0,0,0,0|2,0,0]=4 4754 B13R1.41 CCCC(C)SCC1COC(=O)O1 62a_100000766640_100000073702 [1,1,0,0,0,0|2,0,0]=4 4755 B13R1.41 CCCC(C)SC[C@@H]1CCC(=O)N1 62a_100000766640_100015189358 [1,1,0,0,0,0|2,0,0]=4 4756 B13R1.41 CCCC(C)SC[C@@H]1CCC(=O)N1 62a_100015189358_100000766640 [1,1,0,0,0,0|2,0,0]=4 4757 B13R1.41 CCC[C@H](N)COC1COC(=O)O1 34a_100000732646_100000032252 [1,1,0,0,0,0|2,0,0]=4 4758 B13R1.43 CCCCC(=O)CC1CCC(=O)N1 1458a_100000026770_100000210211 [1,1,0,0,0,0|1,0,1]=4 4759 B13R1.43 CCCCC(=O)CC1CNC(=O)O1 1458a_100000210183_100000181169 [1,1,0,0,0,0|1,0,1]=4 4760 B13R1.43 CCCCC(=O)CC1COC(=O)O1 1458a_100000210183_100000073702 [1,1,0,0,0,0|1,0,1]=4 4761 B13R1.43 CCCCC(=O)C[C@@H]1CCC(=O)N1 1458a_100000210183_100015189358 [1,1,0,0,0,0|1,0,1]=4 4762 B13R1.43 CCCCC(C)OC1CCC(=O)C1 34a_100012614533_200011215066 [1,1,0,0,0,0|2,0,0]=4 4763 B13R1.43 CCCCC(C)OC1COC(=O)O1 34a_100000687866_100000032252 [1,1,0,0,0,0|2,0,0]=4 4764 B13R1.43 CCCCC(C)SC1COC(=O)O1 62a_200011215066_100000032252 [1,1,0,0,0,0|2,0,0]=4 4765 B13R1.43 CCCCN(C)CC1CNC(=O)O1 2230a_100000207549_100000181169 [1,1,0,0,0,0|2,0,0]=4 4766 B13R1.43 CCCCN(C)CC1CNC(=O)O1 269982a_100000207549_100000181169 [1,1,0,0,0,0|2,0,0]=4 4767 B13R1.43 CCCCN(C)CC1COC(=O)O1 269982a_100000207549_100000073702 [1,1,0,0,0,0|2,0,0]=4 4768 B13R1.43 CCCCN(C)C[C@@H]1CCC(=O)N1 2230a_100000207549_100015189358 [1,1,0,0,0,0|2,0,0]=4 4769 B13R1.43 CCCCN(C)C[C@@H]1CCC(=O)N1 269982a_100000207549_100015189358 [1,1,0,0,0,0|2,0,0]=4 4770 B13R1.128 CC(Br)CCOCC1CNC(=O)O1 34a_100009893172_100000181169 [1,1,0,0,0,0|2,0,0]=4 4771 B13R1.128 CC(Br)CCOCC1COC(=O)O1 34a_100009893172_100000073702 [1,1,0,0,0,0|2,0,0]=4 4772 B13R1.128 CC(C)CCCNC1COC(=O)O1 34a_200000737386_100000032252 [1,1,0,0,0,0|2,0,0]=4 4773 B13R1.128 CC(C)CCCOC1CCC(=O)C1 34a_100012614533_100011214892 [1,1,0,0,0,0|2,0,0]=4 4774 B13R1.128 CC(C)CCCOC1COC(=O)O1 34a_100000210774_100000032252 [1,1,0,0,0,0|2,0,0]=4 4775 B13R1.128 CC(C)CCCSC1COC(=O)O1 62a_100011214892_100000032252 [1,1,0,0,0,0|2,0,0]=4 4776 B13R1.128 CC(C)CCNC[C@H]1CCC(=O)N1 2230a_100015423886_100000210312 [1,1,0,0,0,0|2,0,0]=4 4777 B13R1.128 CC(C)CCNC[C@H]1CCC(=O)N1 269862a_100015423886_100000185833 [1,1,0,0,0,0|2,0,0]=4 4778 B13R1.128 CC(C)CCNC[C@H]1CCC(=O)N1 34a_100015423886_100000210312 [1,1,0,0,0,0|2,0,0]=4 4779 B13R1.128 CC(C)CCOCC1CCC(=O)N1 34a_100000737831_100000210312 [1,1,0,0,0,0|2,0,0]=4 4780 B13R1.128 CC(C)CCOCC1CNC(=O)O1 34a_100000210254_100000181169 [1,1,0,0,0,0|2,0,0]=4 4781 B13R1.128 CC(C)CCOCC1CNC(=O)O1 34a_100011315639_100000210312 [1,1,0,0,0,0|2,0,0]=4 4782 B13R1.128 CC(C)CCOCC1CNC(=O)O1 7a_100000210254_100000181169 [1,1,0,0,0,0|2,0,0]=4 4783 B13R1.128 CC(C)CCOCC1COC(=O)O1 34a_100000210254_100000073702 [1,1,0,0,0,0|2,0,0]=4 4784 B13R1.128 CC(C)CCOC[C@@H]1CCC(=O)N1 7a_100000210254_100015189358 [1,1,0,0,0,0|2,0,0]=4 4785 B13R1.128 CC(C)CCSCC1CNC(=O)O1 62a_100000181169_100000210312 [1,1,0,0,0,0|2,0,0]=4 4786 B13R1.128 CC(C)CCSCC1CNC(=O)O1 62a_100000210312_100000181169 [1,1,0,0,0,0|2,0,0]=4 4787 B13R1.128 CC(C)CCSCC1COC(=O)O1 62a_100000073702_100000210312 [1,1,0,0,0,0|2,0,0]=4 4788 B13R1.128 CC(C)CCSCC1COC(=O)O1 62a_100000210312_100000073702 [1,1,0,0,0,0|2,0,0]=4 4789 B13R1.128 CC(C)CCSC[C@@H]1CCC(=O)N1 62a_100000210312_100015189358 [1,1,0,0,0,0|2,0,0]=4 4790 B13R1.128 CC(C)CCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000210312 [1,1,0,0,0,0|2,0,0]=4 4791 B13R1.128 CC(O)CCCOC1CCC(=O)C1 34a_100012614533_200000718107 [1,1,0,0,0,0|2,0,0]=4 4792 B13R1.128 CC(O)CCCSC1COC(=O)O1 62a_200000718107_100000032252 [1,1,0,0,0,0|2,0,0]=4 4793 B13R1.128 CC(O)CCNCC1CNC(=O)O1 2230a_200000755665_100000181169 [1,1,0,0,0,0|2,0,0]=4 4794 B13R1.128 CC(O)CCNC[C@@H]1CCC(=O)N1 2230a_200000755665_100015189358 [1,1,0,0,0,0|2,0,0]=4 4795 B13R1.128 CC(O)CCNC[C@H]1CCC(=O)N1 2230a_100015423886_100012276601 [1,1,0,0,0,0|2,0,0]=4 4796 B13R1.128 CC(O)CCNC[C@H]1CCC(=O)N1 34a_100015423886_100012276601 [1,1,0,0,0,0|2,0,0]=4 4797 B13R1.128 CC(O)CCOCC1CCC(=O)N1 34a_100000737831_100012276601 [1,1,0,0,0,0|2,0,0]=4 4798 B13R1.128 CC(O)CCOCC1CNC(=O)O1 34a_100011315639_100012276601 [1,1,0,0,0,0|2,0,0]=4 4799 B13R1.128 CC(O)CCSCC1CNC(=O)O1 62a_100000181169_100012276601 [1,1,0,0,0,0|2,0,0]=4 4800 B13R1.128 CC(O)CCSCC1CNC(=O)O1 62a_100012276601_100000181169 [1,1,0,0,0,0|2,0,0]=4 4801 B13R1.128 CC(O)CCSCC1COC(=O)O1 62a_100000073702_100012276601 [1,1,0,0,0,0|2,0,0]=4 4802 B13R1.128 CC(O)CCSCC1COC(=O)O1 62a_100012276601_100000073702 [1,1,0,0,0,0|2,0,0]=4 4803 B13R1.128 CC(O)CCSC[C@@H]1CCC(=O)N1 62a_100012276601_100015189358 [1,1,0,0,0,0|2,0,0]=4 4804 B13R1.128 CC(O)CCSC[C@@H]1CCC(=O)N1 62a_100015189358_100012276601 [1,1,0,0,0,0|2,0,0]=4 4805 B13R1.128 C[C@@H](N)CCOCC1CNC(=O)O1 34a_100000706166_100000181169 [1,1,0,0,0,0|2,0,0]=4 4806 B13R1.128 C[C@@H](N)CCOCC1COC(=O)O1 34a_100000706166_100000073702 [1,1,0,0,0,0|2,0,0]=4 4807 B13R1.717 CCC(C)CNCC1CNC(=O)O1 2230a_100020588543_100000181169 [1,1,0,0,0,0|2,0,0]=4 4808 B13R1.717 CCC(C)CNC[C@@H]1CCC(=O)N1 2230a_100020588543_100015189358 [1,1,0,0,0,0|2,0,0]=4 4809 B13R1.717 CCC(C)CNC[C@H]1CCC(=O)N1 2230a_100015423886_100000748023 [1,1,0,0,0,0|2,0,0]=4 4810 B13R1.717 CCC(C)CNC[C@H]1CCC(=O)N1 270004a_100015423886_100000243153 [1,1,0,0,0,0|2,0,0]=4 4811 B13R1.717 CCC(C)CNC[C@H]1CCC(=O)N1 34a_100015423886_100000748023 [1,1,0,0,0,0|2,0,0]=4 4812 B13R1.717 CCC(C)COCC1CCC(=O)N1 34a_100000737831_100000748023 [1,1,0,0,0,0|2,0,0]=4 4813 B13R1.717 CCC(C)COCC1CNC(=O)O1 34a_100011315639_100000748023 [1,1,0,0,0,0|2,0,0]=4 4814 B13R1.717 CCC(C)CSCC1CNC(=O)O1 62a_100000181169_100000748023 [1,1,0,0,0,0|2,0,0]=4 4815 B13R1.717 CCC(C)CSCC1CNC(=O)O1 62a_100000748023_100000181169 [1,1,0,0,0,0|2,0,0]=4 4816 B13R1.717 CCC(C)CSCC1COC(=O)O1 62a_100000073702_100000748023 [1,1,0,0,0,0|2,0,0]=4 4817 B13R1.717 CCC(C)CSCC1COC(=O)O1 62a_100000748023_100000073702 [1,1,0,0,0,0|2,0,0]=4 4818 B13R1.717 CCC(C)CSC[C@@H]1CCC(=O)N1 62a_100000748023_100015189358 [1,1,0,0,0,0|2,0,0]=4 4819 B13R1.717 CCC(C)CSC[C@@H]1CCC(=O)N1 62a_100015189358_100000748023 [1,1,0,0,0,0|2,0,0]=4 4820 B13R1.717 CCC(O)CNCC1CNC(=O)O1 2230a_100011218483_100000181169 [1,1,0,0,0,0|2,0,0]=4 4821 B13R1.717 CCC(O)CNC[C@@H]1CCC(=O)N1 2230a_100011218483_100015189358 [1,1,0,0,0,0|2,0,0]=4 4822 B13R1.717 CCC(O)CNC[C@H]1CCC(=O)N1 2230a_100015423886_100011218378 [1,1,0,0,0,0|2,0,0]=4 4823 B13R1.717 CCC(O)CNC[C@H]1CCC(=O)N1 34a_100015423886_100011218378 [1,1,0,0,0,0|2,0,0]=4 4824 B13R1.717 CCC(O)COCC1CCC(=O)N1 34a_100000737831_100011218378 [1,1,0,0,0,0|2,0,0]=4 4825 B13R1.717 CCC(O)COCC1CNC(=O)O1 34a_100011315639_100011218378 [1,1,0,0,0,0|2,0,0]=4 4826 B13R1.717 CCC(O)CSCC1CNC(=O)O1 62a_100000181169_100011218378 [1,1,0,0,0,0|2,0,0]=4 4827 B13R1.717 CCC(O)CSCC1CNC(=O)O1 62a_100011218378_100000181169 [1,1,0,0,0,0|2,0,0]=4 4828 B13R1.717 CCC(O)CSCC1COC(=O)O1 62a_100000073702_100011218378 [1,1,0,0,0,0|2,0,0]=4 4829 B13R1.717 CCC(O)CSCC1COC(=O)O1 62a_100011218378_100000073702 [1,1,0,0,0,0|2,0,0]=4 4830 B13R1.717 CCC(O)CSC[C@@H]1CCC(=O)N1 62a_100011218378_100015189358 [1,1,0,0,0,0|2,0,0]=4 4831 B13R1.717 CCC(O)CSC[C@@H]1CCC(=O)N1 62a_100015189358_100011218378 [1,1,0,0,0,0|2,0,0]=4 4832 B13R1.717 CC[C@H](C)CNC[C@H]1CCC(=O)N1 2230a_100015423886_100009816398 [1,1,0,0,0,0|2,0,0]=4 4833 B13R1.717 CC[C@H](C)CNC[C@H]1CCC(=O)N1 34a_100015423886_100009816398 [1,1,0,0,0,0|2,0,0]=4 4834 B13R1.717 CC[C@H](C)COCC1CCC(=O)N1 34a_100000737831_100009816398 [1,1,0,0,0,0|2,0,0]=4 4835 B13R1.717 CC[C@H](C)COCC1CNC(=O)O1 34a_100011315639_100009816398 [1,1,0,0,0,0|2,0,0]=4 4836 B13R1.717 CC[C@H](C)COCC1CNC(=O)O1 7a_100009816381_100000181169 [1,1,0,0,0,0|2,0,0]=4 4837 B13R1.717 CC[C@H](C)COC[C@@H]1CCC(=O)N1 7a_100009816381_100015189358 [1,1,0,0,0,0|2,0,0]=4 4838 B13R1.717 CC[C@H](C)CSCC1CNC(=O)O1 62a_100000181169_100009816398 [1,1,0,0,0,0|2,0,0]=4 4839 B13R1.717 CC[C@H](C)CSCC1CNC(=O)O1 62a_100009816398_100000181169 [1,1,0,0,0,0|2,0,0]=4 4840 B13R1.717 CC[C@H](C)CSCC1COC(=O)O1 62a_100000073702_100009816398 [1,1,0,0,0,0|2,0,0]=4 4841 B13R1.717 CC[C@H](C)CSCC1COC(=O)O1 62a_100009816398_100000073702 [1,1,0,0,0,0|2,0,0]=4 4842 B13R1.717 CC[C@H](C)CSC[C@@H]1CCC(=O)N1 62a_100009816398_100015189358 [1,1,0,0,0,0|2,0,0]=4 4843 B13R1.717 CC[C@H](C)CSC[C@@H]1CCC(=O)N1 62a_100015189358_100009816398 [1,1,0,0,0,0|2,0,0]=4 4844 B13R1.48 CCCCCCC(=O)[C@@H]1CCCO1 1458a_100000686382_100000210757 [1,1,0,0,0,0|0,0,2]=4 4845 B13R1.48 CCCCCNC(C)C1CCCO1 2230a_100025754208_100000210326 [1,1,0,0,0,0|1,0,1]=4 4846 B13R1.48 CCCCCNC(C)C1CCCO1 34a_100025754208_100000718602 [1,1,0,0,0,0|1,0,1]=4 4847 B13R1.119 BrCCCCCOCC1CCCO1 7a_100000746331_100000203698 [1,1,0,0,0,0|1,0,1]=4 4848 B13R1.119 CCCCCCCNC1CC=CC1 2230a_100015188752_100000210681 [1,1,0,0,0,0|1,0,1]=4 4849 B13R1.119 CCCCCCCNC1CCCC1 2230a_100000211070_100000210681 [1,1,0,0,0,0|1,0,1]=4 4850 B13R1.119 CCCCCCCNC1CCCC1 2230a_100000229938_100000179811 [1,1,0,0,0,0|1,0,1]=4 4851 B13R1.119 CCCCCCCNC1CCCC1 270004a_100000229938_100000210133 [1,1,0,0,0,0|1,0,1]=4 4852 B13R1.119 CCCCCCCNC1CCCC1 34a_100000211070_100000210614 [1,1,0,0,0,0|1,0,1]=4 4853 B13R1.119 CCCCCCCNC1CCOC1 2230a_100000229938_100000731011 [1,1,0,0,0,0|2,0,0]=4 4854 B13R1.119 CCCCCCCNC1CCOC1 270004a_100000229938_100000752484 [1,1,0,0,0,0|2,0,0]=4 4855 B13R1.119 CCCCCCCNC1CCSC1 270004a_100000229938_100000212027 [1,1,0,0,0,0|2,0,0]=4 4856 B13R1.119 CCCCCCCN[C@@H]1CCOC1 2230a_200015188469_100000210681 [1,1,0,0,0,0|2,0,0]=4 4857 B13R1.119 CCCCCCCN[C@H]1CCOC1 2230a_100015188467_100000210681 [1,1,0,0,0,0|2,0,0]=4 4858 B13R1.119 CCCCCCCN[C@H]1CCOC1 34a_100015188467_100000210614 [1,1,0,0,0,0|2,0,0]=4 4859 B13R1.119 CCCCCCCOC1CCCC1 34a_100000210269_100000210614 [1,1,0,0,0,0|1,0,1]=4 4860 B13R1.119 CCCCCCCOC1CCCC1 34a_100000210272_100000179811 [1,1,0,0,0,0|1,0,1]=4 4861 B13R1.119 CCCCCCCOC1CCCC1 7a_100000210269_100000210614 [1,1,0,0,0,0|1,0,1]=4 4862 B13R1.119 CCCCCCCOC1CCCC1 7a_100000210272_100000179811 [1,1,0,0,0,0|1,0,1]=4 4863 B13R1.119 CCCCCCCOC1CCCO1 34a_100000085407_100000210614 [1,1,0,0,0,0|0,0,1]=3 4864 B13R1.119 CCCCCCCOC1CCOC1 34a_100000210272_100000690089 [1,1,0,0,0,0|2,0,0]=4 4865 B13R1.119 CCCCCCCOC1CCOC1 7a_100000210272_100000731011 [1,1,0,0,0,0|2,0,0]=4 4866 B13R1.119 CCCCCCCOC1CCSC1 7a_100011232664_100000210614 [1,1,0,0,0,0|2,0,0]=4 4867 B13R1.119 CCCCCCCO[C@H]1CCOC1 34a_100000717292_100000210614 [1,1,0,0,0,0|2,0,0]=4 4868 B13R1.119 CCCCCCCSC1CCCC1 62a_100000210614_100000179811 [1,1,0,0,0,0|1,0,1]=4 4869 B13R1.119 CCCCCCCSC1CCCC1 62a_100011217020_100000210316 [1,1,0,0,0,0|1,0,1]=4 4870 B13R1.119 CCCCCCCSC1CCOC1 62a_100000210614_100000690089 [1,1,0,0,0,0|2,0,0]=4 4871 B13R1.119 CCCCCCNCC1CCCC1 2230a_100000210581_100000740388 [1,1,0,0,0,0|1,0,1]=4 4872 B13R1.119 CCCCCCNCC1CCCC1 2230a_100000737975_100000210314 [1,1,0,0,0,0|1,0,1]=4 4873 B13R1.119 CCCCCCNCC1CCCC1 269862a_100000210581_100000746403 [1,1,0,0,0,0|1,0,1]=4 4874 B13R1.119 CCCCCCNCC1CCCC1 34a_100000737975_100000210314 [1,1,0,0,0,0|1,0,1]=4 4875 B13R1.119 CCCCCCNCC1CCCO1 2230a_100000210581_100000203698 [1,1,0,0,0,0|0,0,1]=3 4876 B13R1.119 CCCCCCNCC1CCOC1 2230a_100000210581_100000702531 [1,1,0,0,0,0|2,0,0]=4 4877 B13R1.119 CCCCCCNCC1CCOC1 2230a_100000737293_100000210314 [1,1,0,0,0,0|2,0,0]=4 4878 B13R1.119 CCCCCCNCC1CCOC1 34a_100000737293_100000210314 [1,1,0,0,0,0|2,0,0]=4 4879 B13R1.119 CCCCCCNCC1OCCO1 2230a_100000036311_100000210314 [1,1,0,0,0,0|1,0,1]=4 4880 B13R1.119 CCCCCCNCC1OCCO1 2230a_100000210581_100000755774 [1,1,0,0,0,0|1,0,1]=4 4881 B13R1.119 CCCCCCNCC1OCCO1 34a_100000036311_100000210314 [1,1,0,0,0,0|1,0,1]=4 4882 B13R1.119 CCCCCCNC[C@@H]1CCCO1 2230a_100020590478_100000210314 [1,1,0,0,0,0|0,0,1]=3 4883 B13R1.119 CCCCCCNC[C@@H]1CCCO1 34a_100020590478_100000210314 [1,1,0,0,0,0|0,0,1]=3 4884 B13R1.119 CCCCCCOCC1CC=CC1 34a_100000688395_100000210314 [1,1,0,0,0,0|1,0,1]=4 4885 B13R1.119 CCCCCCOCC1CCCC1 34a_100000210259_100000740388 [1,1,0,0,0,0|1,0,1]=4 4886 B13R1.119 CCCCCCOCC1CCCC1 34a_100000742336_100000210314 [1,1,0,0,0,0|1,0,1]=4 4887 B13R1.119 CCCCCCOCC1CCCC1 7a_100000210259_100000740388 [1,1,0,0,0,0|1,0,1]=4 4888 B13R1.119 CCCCCCOCC1CCCC1 7a_100000742336_100000210314 [1,1,0,0,0,0|1,0,1]=4 4889 B13R1.119 CCCCCCOCC1CCCO1 34a_100000210270_100000210314 [1,1,0,0,0,0|0,0,1]=3 4890 B13R1.119 CCCCCCOCC1CCCO1 7a_100000210259_100000203698 [1,1,0,0,0,0|0,0,1]=3 4891 B13R1.119 CCCCCCOCC1CCCO1 7a_100000210270_100000210314 [1,1,0,0,0,0|0,0,1]=3 4892 B13R1.119 CCCCCCOCC1CCNC1 34a_100000748654_100000210314 [1,1,0,0,0,0|2,0,0]=4 4893 B13R1.119 CCCCCCOCC1CCOC1 34a_100000210259_100011261433 [1,1,0,0,0,0|2,0,0]=4 4894 B13R1.119 CCCCCCOCC1CCOC1 34a_100000740260_100000210314 [1,1,0,0,0,0|2,0,0]=4 4895 B13R1.119 CCCCCCOCC1CCOC1 7a_100000210259_100000702531 [1,1,0,0,0,0|2,0,0]=4 4896 B13R1.119 CCCCCCOCC1COCO1 34a_100011216627_100000210314 [1,1,0,0,0,0|1,0,1]=4 4897 B13R1.119 CCCCCCOCC1OCCO1 34a_100000087154_100000210314 [1,1,0,0,0,0|1,0,1]=4 4898 B13R1.119 CCCCCCOCC1OCCO1 34a_100000210259_100000755774 [1,1,0,0,0,0|1,0,1]=4 4899 B13R1.119 CCCCCCOCC1OCCO1 7a_100000210259_100000755774 [1,1,0,0,0,0|1,0,1]=4 4900 B13R1.119 CCCCCCOC[C@H]1CCCN1 34a_100000745186_100000210314 [1,1,0,0,0,0|1,0,1]=4 4901 B13R1.119 CCCCCCSCC1CCCC1 62a_100000210314_100000740388 [1,1,0,0,0,0|1,0,1]=4 4902 B13R1.119 CCCCCCSCC1CCCC1 62a_100000740388_100000210757 [1,1,0,0,0,0|1,0,1]=4 4903 B13R1.119 CCCCCCSCC1CCCO1 62a_100000203698_100000210757 [1,1,0,0,0,0|0,0,1]=3 4904 B13R1.119 CCCCCCSCC1CCCO1 62a_100000210314_100000203698 [1,1,0,0,0,0|0,0,1]=3 4905 B13R1.119 CCCCCCSCC1CCOC1 62a_100000210314_100000702531 [1,1,0,0,0,0|2,0,0]=4 4906 B13R1.119 CCCCCCSCC1CCOC1 62a_100000702531_100000210757 [1,1,0,0,0,0|2,0,0]=4 4907 B13R1.119 CCCCCCSCC1OCCO1 62a_100000210314_100000755774 [1,1,0,0,0,0|1,0,1]=4 4908 B13R1.119 CCCCCCSCC1OCCO1 62a_100000755774_100000210757 [1,1,0,0,0,0|1,0,1]=4 4909 B13R1.119 CCCCCNCCC1CCCC1 2230a_100000209983_100000760354 [1,1,0,0,0,0|1,0,1]=4 4910 B13R1.119 CCCCCNCCC1CCCC1 2230a_100000739158_100000210326 [1,1,0,0,0,0|1,0,1]=4 4911 B13R1.119 CCCCCNCCC1CCCC1 34a_100000739158_100000718602 [1,1,0,0,0,0|1,0,1]=4 4912 B13R1.119 CCCCCNCCC1OCCO1 2230a_100000034215_100000210326 [1,1,0,0,0,0|1,0,1]=4 4913 B13R1.119 CCCCCNCCC1OCCO1 2230a_100000209983_100000740749 [1,1,0,0,0,0|1,0,1]=4 4914 B13R1.119 CCCCCNCCC1OCCO1 34a_100000034215_100000718602 [1,1,0,0,0,0|1,0,1]=4 4915 B13R1.119 CCCCCOCCC1CCCC1 34a_100000210253_100000760354 [1,1,0,0,0,0|1,0,1]=4 4916 B13R1.119 CCCCCOCCC1CCCC1 34a_100000749090_100000718602 [1,1,0,0,0,0|1,0,1]=4 4917 B13R1.119 CCCCCOCCC1CCCC1 7a_100000210253_100000760354 [1,1,0,0,0,0|1,0,1]=4 4918 B13R1.119 CCCCCOCCC1CCCC1 7a_100000749090_100000210326 [1,1,0,0,0,0|1,0,1]=4 4919 B13R1.119 CCCCCOCCC1CCNC1 34a_100016987287_100000718602 [1,1,0,0,0,0|2,0,0]=4 4920 B13R1.119 CCCCCOCCC1CCOC1 34a_100011879284_100000718602 [1,1,0,0,0,0|2,0,0]=4 4921 B13R1.119 CCCCCOCCC1OCCO1 34a_100000210253_100000740749 [1,1,0,0,0,0|1,0,1]=4 4922 B13R1.119 CCCCCOCCC1OCCO1 7a_100000210253_100000740749 [1,1,0,0,0,0|1,0,1]=4 4923 B13R1.119 CCCCCSCCC1CCCC1 62a_100000210326_100000760354 [1,1,0,0,0,0|1,0,1]=4 4924 B13R1.119 CCCCCSCCC1CCCC1 62a_100000760354_100000210326 [1,1,0,0,0,0|1,0,1]=4 4925 B13R1.119 CCCCCSCCC1OCCO1 62a_100000210326_100000740749 [1,1,0,0,0,0|1,0,1]=4 4926 B13R1.119 CCCCNCCCC1CCCC1 2230a_100000102301_100011713738 [1,1,0,0,0,0|1,0,1]=4 4927 B13R1.119 CCCCNCCCC1CCCC1 2230a_100000736752_100000210211 [1,1,0,0,0,0|1,0,1]=4 4928 B13R1.119 CCCCNCCCC1CCCC1 34a_100000736752_100000210210 [1,1,0,0,0,0|1,0,1]=4 4929 B13R1.119 CCCCNCCCC1CCCC1 7a_106832991798_100011713738 [1,1,0,0,0,0|1,0,1]=4 4930 B13R1.119 CCCCNCCCC1OCCO1 2230a_100000102301_100000042513 [1,1,0,0,0,0|1,0,1]=4 4931 B13R1.119 CCCCNCCCC1OCCO1 7a_106832991798_100000042513 [1,1,0,0,0,0|1,0,1]=4 4932 B13R1.119 CCCCOCCCC1CCCC1 34a_100000210227_100011713738 [1,1,0,0,0,0|1,0,1]=4 4933 B13R1.119 CCCCOCCCC1CCCC1 34a_100011215328_100000210210 [1,1,0,0,0,0|1,0,1]=4 4934 B13R1.119 CCCCOCCCC1CCCC1 7a_100000210227_100011713738 [1,1,0,0,0,0|1,0,1]=4 4935 B13R1.119 CCCCOCCCC1CCCC1 7a_100011215328_100000210211 [1,1,0,0,0,0|1,0,1]=4 4936 B13R1.119 CCCCOCCCC1OCCO1 34a_100000210227_100009861162 [1,1,0,0,0,0|1,0,1]=4 4937 B13R1.119 CCCCOCCCC1OCCO1 34a_100009871617_100000210210 [1,1,0,0,0,0|1,0,1]=4 4938 B13R1.119 CCCCOCCCC1OCCO1 7a_100000210227_100000042513 [1,1,0,0,0,0|1,0,1]=4 4939 B13R1.119 CCCCOCCCC1OCCO1 7a_100009871617_100000210211 [1,1,0,0,0,0|1,0,1]=4 4940 B13R1.119 CCCCOCCOC1CCCO1 34a_100000085407_100000743108 [1,1,0,0,0,0|1,0,1]=4 4941 B13R1.119 CCCCOCNC[C@@H]1CCCO1 2230a_100020590478_100011995733 [1,1,0,0,0,0|1,0,1]=4 4942 B13R1.119 CCCCOCNC[C@@H]1CCCO1 34a_100020590478_100011995733 [1,1,0,0,0,0|1,0,1]=4 4943 B13R1.119 CCCCOCOCC1CCCO1 34a_100000210270_100011995733 [1,1,0,0,0,0|1,0,1]=4 4944 B13R1.119 CCCCOCSCC1CCCO1 62a_100000203698_100011995733 [1,1,0,0,0,0|1,0,1]=4 4945 B13R1.119 CCCCOCSCC1CCCO1 62a_100011995733_100000203698 [1,1,0,0,0,0|1,0,1]=4 4946 B13R1.119 CCCCSCCCC1CCCC1 62a_100000210211_100011713738 [1,1,0,0,0,0|1,0,1]=4 4947 B13R1.119 CCCCSCCCC1CCCC1 62a_100011713738_100000210210 [1,1,0,0,0,0|1,0,1]=4 4948 B13R1.119 CCCCSCCCC1OCCO1 62a_100000210211_100000042513 [1,1,0,0,0,0|1,0,1]=4 4949 B13R1.119 CCCOCCCCC1OCCO1 34a_100000210258_200009813554 [1,1,0,0,0,0|1,0,1]=4 4950 B13R1.119 CCCOCCNCC1CCCO1 2230a_100161115042_100000203698 [1,1,0,0,0,0|1,0,1]=4 4951 B13R1.119 CCCOCCNC[C@@H]1CCCO1 2230a_100020590478_100011215938 [1,1,0,0,0,0|1,0,1]=4 4952 B13R1.119 CCCOCCNC[C@@H]1CCCO1 34a_100020590478_100011215938 [1,1,0,0,0,0|1,0,1]=4 4953 B13R1.119 CCCOCCOCC1CCCO1 34a_100000210270_100011215938 [1,1,0,0,0,0|1,0,1]=4 4954 B13R1.119 CCCOCCOCC1CCCO1 7a_100000210270_100011215938 [1,1,0,0,0,0|1,0,1]=4 4955 B13R1.119 CCCOCCOCC1CCCO1 7a_100000752267_100000203698 [1,1,0,0,0,0|1,0,1]=4 4956 B13R1.119 CCCOCCSCC1CCCO1 62a_100000203698_100011215938 [1,1,0,0,0,0|1,0,1]=4 4957 B13R1.119 CCCOCCSCC1CCCO1 62a_100011215938_100000203698 [1,1,0,0,0,0|1,0,1]=4 4958 B13R1.119 CCCSCCCCC1OCCO1 62a_100000210303_100000034956 [1,1,0,0,0,0|1,0,1]=4 4959 B13R1.119 CCCSCCNCC1CCCO1 2230a_100020603323_100000203698 [1,1,0,0,0,0|1,0,1]=4 4960 B13R1.119 CCCSCCOCC1CCCO1 7a_200000230433_100000203698 [1,1,0,0,0,0|1,0,1]=4 4961 B13R1.119 CCOCCCCOC1CCCO1 34a_100011018183_100000210202 [1,1,0,0,0,0|1,0,1]=4 4962 B13R1.119 CCOCCCCOC1CCCO1 7a_100011018183_100000210202 [1,1,0,0,0,0|1,0,1]=4 4963 B13R1.119 CCOCCCNCC1CCCO1 2230a_100000210961_100000203698 [1,1,0,0,0,0|1,0,1]=4 4964 B13R1.119 CCOCCCNC[C@@H]1CCCO1 2230a_100020590478_100012232248 [1,1,0,0,0,0|1,0,1]=4 4965 B13R1.119 CCOCCCNC[C@@H]1CCCO1 34a_100020590478_100012232248 [1,1,0,0,0,0|1,0,1]=4 4966 B13R1.119 CCOCCCOCC1CCCO1 34a_100000210270_100012232248 [1,1,0,0,0,0|1,0,1]=4 4967 B13R1.119 CCOCCCOCC1CCCO1 7a_100000210270_100012232248 [1,1,0,0,0,0|1,0,1]=4 4968 B13R1.119 CCOCCCOCC1CCCO1 7a_100000757476_100000203698 [1,1,0,0,0,0|1,0,1]=4 4969 B13R1.119 CCOCCCSCC1CCCO1 62a_100000203698_100012232248 [1,1,0,0,0,0|1,0,1]=4 4970 B13R1.119 CCOCCCSCC1CCCO1 62a_100012232248_100000203698 [1,1,0,0,0,0|1,0,1]=4 4971 B13R1.119 CCSCCCOCC1CCCO1 7a_100011216438_100000203698 [1,1,0,0,0,0|1,0,1]=4 4972 B13R1.119 COCCCCNC[C@@H]1CCCO1 2230a_100020590478_100000730899 [1,1,0,0,0,0|1,0,1]=4 4973 B13R1.119 COCCCCNC[C@@H]1CCCO1 34a_100020590478_100000755781 [1,1,0,0,0,0|1,0,1]=4 4974 B13R1.119 COCCCCOCC1CCCO1 34a_100000210270_100000755781 [1,1,0,0,0,0|1,0,1]=4 4975 B13R1.119 COCCCCOCC1CCCO1 7a_100000210270_100000730899 [1,1,0,0,0,0|1,0,1]=4 4976 B13R1.119 COCCCCSCC1CCCO1 62a_100000203698_100000730899 [1,1,0,0,0,0|1,0,1]=4 4977 B13R1.119 COCCCCSCC1CCCO1 62a_100000730899_100000203698 [1,1,0,0,0,0|1,0,1]=4 4978 B13R1.119 CSCCCCOCC1CCCO1 7a_100011217163_100000203698 [1,1,0,0,0,0|1,0,1]=4 4979 B13R1.119 ClCCCCCOCC1CCCO1 7a_100000746330_100000203698 [1,1,0,0,0,0|1,0,1]=4 4980 B13R1.119 FCCCCCCOC1CCCO1 34a_100000085407_100015922095 [1,1,0,0,0,0|1,0,1]=4 4981 B13R1.119 FCCCCCNC[C@@H]1CCCO1 2230a_100020590478_100000729378 [1,1,0,0,0,0|1,0,1]=4 4982 B13R1.119 FCCCCCNC[C@@H]1CCCO1 34a_100020590478_100000729378 [1,1,0,0,0,0|1,0,1]=4 4983 B13R1.119 FCCCCCOCC1CCCO1 34a_100000210270_100000729378 [1,1,0,0,0,0|1,0,1]=4 4984 B13R1.119 FCCCCCOCC1CCCO1 7a_100000210270_100000729378 [1,1,0,0,0,0|1,0,1]=4 4985 B13R1.119 FCCCCCSCC1CCCO1 62a_100000203698_100000729378 [1,1,0,0,0,0|1,0,1]=4 4986 B13R1.119 FCCCCCSCC1CCCO1 62a_100000729378_100000203698 [1,1,0,0,0,0|1,0,1]=4 4987 B13R1.119 ICCCCCOCC1CCCO1 7a_200012148887_100000203698 [1,1,0,0,0,0|1,0,1]=4 4988 B13R1.119 OCCCCCCOC1CCCO1 34a_100000085407_100000766143 [1,1,0,0,0,0|1,0,1]=4 4989 B13R1.119 OCCCCCNCC1CCCO1 2230a_100000762737_100000203698 [1,1,0,0,0,0|1,0,1]=4 4990 B13R1.119 OCCCCCNC[C@@H]1CCCO1 2230a_100020590478_100000746330 [1,1,0,0,0,0|1,0,1]=4 4991 B13R1.119 OCCCCCNC[C@@H]1CCCO1 34a_100020590478_100000746330 [1,1,0,0,0,0|1,0,1]=4 4992 B13R1.119 OCCCCCOCC1CCCO1 34a_100000210270_100000746330 [1,1,0,0,0,0|1,0,1]=4 4993 B13R1.119 OCCCCCOCC1CCCO1 7a_100000210270_100000746330 [1,1,0,0,0,0|1,0,1]=4 4994 B13R1.119 OCCCCCSCC1CCCO1 62a_100000203698_100000746330 [1,1,0,0,0,0|1,0,1]=4 4995 B13R1.119 OCCCCCSCC1CCCO1 62a_100000746330_100000203698 [1,1,0,0,0,0|1,0,1]=4 4996 B13R1.153 CCCCC(=O)CCC1CCCO1 1458a_100011247709_100000210211 [1,1,0,0,0,0|0,0,2]=4 4997 B13R1.153 CCCCC(C)NCC1CCCO1 2230a_100000126638_100000203698 [1,1,0,0,0,0|1,0,1]=4 4998 B13R1.153 CCCCC(C)NC[C@@H]1CCCO1 2230a_100020590478_200011215066 [1,1,0,0,0,0|1,0,1]=4 4999 B13R1.153 CCCCC(C)NC[C@@H]1CCCO1 270004a_100020590478_100000210087 [1,1,0,0,0,0|1,0,1]=4 5000 B13R1.153 CCCCC(C)NC[C@@H]1CCCO1 34a_100020590478_200011215066 [1,1,0,0,0,0|1,0,1]=4 5001 B13R1.153 CCCCC(C)OCC1CCCO1 34a_100000210270_200011215066 [1,1,0,0,0,0|1,0,1]=4 5002 B13R1.153 CCCCC(C)OCC1CCCO1 7a_100000210270_200011215066 [1,1,0,0,0,0|1,0,1]=4 5003 B13R1.153 CCCCC(C)OCC1CCCO1 7a_100000687866_100000203698 [1,1,0,0,0,0|1,0,1]=4 5004 B13R1.153 CCCCC(C)SCC1CCCO1 62a_100000203698_200011215066 [1,1,0,0,0,0|1,0,1]=4 5005 B13R1.153 CCCCC(C)SCC1CCCO1 62a_200011215066_100000203698 [1,1,0,0,0,0|1,0,1]=4 5006 B13R1.156 CCCCCC(=O)CC1C=CCC1 1458a_100000212241_100000210326 [1,1,0,0,0,0|1,0,1]=4 5007 B13R1.156 CCCCCC(=O)CC1CCCO1 1458a_100000212188_100000203698 [1,1,0,0,0,0|0,0,2]=4 5008 B13R1.156 CCCCCC(C)OC1CCCO1 34a_100000085407_200011218191 [1,1,0,0,0,0|1,0,1]=4 5009 B13R1.156 CCCCCN(C)CC1CCCO1 2230a_100000223495_100000203698 [1,1,0,0,0,0|1,0,1]=4 5010 B13R1.156 CCCCCN(C)CC1CCCO1 2230a_100102946541_100000210326 [1,1,0,0,0,0|1,0,1]=4 5011 B13R1.156 CCCCCN(C)CC1CCCO1 269982a_100000223495_100000183445 [1,1,0,0,0,0|1,0,1]=4 5012 B13R1.156 CCCCCN(C)CC1CCCO1 269982a_100102946541_100000210215 [1,1,0,0,0,0|1,0,1]=4 5013 B13R1.156 CCCCCN(C)CC1CCCO1 34a_100102946541_100000718602 [1,1,0,0,0,0|1,0,1]=4 5014 B13R1.156 CCCCNC(C)CC1C=CCC1 270004a_100000102301_100000116859 [1,1,0,0,0,0|2,0,0]=4 5015 B13R1.343 CC(C)CCCCOC1CCCO1 34a_100000085407_100011216152 [1,1,0,0,0,0|1,0,1]=4 5016 B13R1.343 CC(C)CCCNCC1CCCO1 2230a_200000737386_100000203698 [1,1,0,0,0,0|1,0,1]=4 5017 B13R1.343 CC(C)CCCNC[C@@H]1CCCO1 2230a_100020590478_100011214892 [1,1,0,0,0,0|1,0,1]=4 5018 B13R1.343 CC(C)CCCNC[C@@H]1CCCO1 34a_100020590478_100011214892 [1,1,0,0,0,0|1,0,1]=4 5019 B13R1.343 CC(C)CCCOCC1CCCO1 34a_100000210270_100011214892 [1,1,0,0,0,0|1,0,1]=4 5020 B13R1.343 CC(C)CCCOCC1CCCO1 7a_100000210270_100011214892 [1,1,0,0,0,0|1,0,1]=4 5021 B13R1.343 CC(C)CCCOCC1CCCO1 7a_100000210774_100000203698 [1,1,0,0,0,0|1,0,1]=4 5022 B13R1.343 CC(C)CCCSCC1CCCO1 62a_100000203698_100011214892 [1,1,0,0,0,0|1,0,1]=4 5023 B13R1.343 CC(C)CCCSCC1CCCO1 62a_100011214892_100000203698 [1,1,0,0,0,0|1,0,1]=4 5024 B13R1.343 CC(O)CCCNC[C@@H]1CCCO1 2230a_100020590478_200000718107 [1,1,0,0,0,0|1,0,1]=4 5025 B13R1.343 CC(O)CCCNC[C@@H]1CCCO1 34a_100020590478_200000718107 [1,1,0,0,0,0|1,0,1]=4 5026 B13R1.343 CC(O)CCCOCC1CCCO1 34a_100000210270_200000718107 [1,1,0,0,0,0|1,0,1]=4 5027 B13R1.343 CC(O)CCCOCC1CCCO1 7a_100000210270_200000718107 [1,1,0,0,0,0|1,0,1]=4 5028 B13R1.343 CC(O)CCCSCC1CCCO1 62a_100000203698_200000718107 [1,1,0,0,0,0|1,0,1]=4 5029 B13R1.343 CC(O)CCCSCC1CCCO1 62a_200000718107_100000203698 [1,1,0,0,0,0|1,0,1]=4 5030 B13R1.404 CCCC(C)CNC[C@@H]1CCCO1 2230a_100020590478_100011216630 [1,1,0,0,0,0|1,0,1]=4 5031 B13R1.404 CCCC(C)CNC[C@@H]1CCCO1 270004a_100020590478_100000243154 [1,1,0,0,0,0|1,0,1]=4 5032 B13R1.404 CCCC(C)CNC[C@@H]1CCCO1 34a_100020590478_100011216630 [1,1,0,0,0,0|1,0,1]=4 5033 B13R1.404 CCCC(C)COCC1CCCO1 34a_100000210270_100011216630 [1,1,0,0,0,0|1,0,1]=4 5034 B13R1.404 CCCC(C)COCC1CCCO1 7a_100000210270_100011216630 [1,1,0,0,0,0|1,0,1]=4 5035 B13R1.404 CCCC(C)COCC1CCCO1 7a_100000688023_100000203698 [1,1,0,0,0,0|1,0,1]=4 5036 B13R1.404 CCCC(C)CSCC1CCCO1 62a_100000203698_100011216630 [1,1,0,0,0,0|1,0,1]=4 5037 B13R1.404 CCCC(C)CSCC1CCCO1 62a_100011216630_100000203698 [1,1,0,0,0,0|1,0,1]=4 5038 B13R1.404 CCCN(C)CCCC1CCCO1 2230a_100011698863_100000210303 [1,1,0,0,0,0|1,0,1]=4 5039 B13R1.404 CCCN(C)CCCC1CCCO1 269982a_100011698863_100000210303 [1,1,0,0,0,0|1,0,1]=4 5040 B13R1.404 CCCN(C)CCCC1CCCO1 34a_100011698863_100000210303 [1,1,0,0,0,0|1,0,1]=4 5041 B13R1.536 CCC(C)CCNCC1CCCO1 2230a_100020591266_100000203698 [1,1,0,0,0,0|1,0,1]=4 5042 B13R1.536 CCC(C)CCOCC1CCCO1 7a_100011215188_100000203698 [1,1,0,0,0,0|1,0,1]=4 5043 B13R1.292 CC(C)CCCCSC1CC(=O)C1 62a_100009894365_100011216152 [0,1,0,0,1,0|2,0,0]=4 5044 B13R1.292 CC(C)CCCNCC1CC(=O)C1 2230a_200000737386_100009874392 [0,1,0,0,1,0|2,0,0]=4 5045 B13R1.292 CC(C)CCCOCC1CC(=O)C1 34a_100000101936_100011214892 [0,1,0,0,1,0|2,0,0]=4 5046 B13R1.292 CC(C)CCCOCC1CC(=O)C1 7a_100000210774_100009874392 [0,1,0,0,1,0|2,0,0]=4 5047 B13R1.292 CC(C)CCCSCC1CC(=O)C1 62a_100009874392_100011214892 [0,1,0,0,1,0|2,0,0]=4 5048 B13R1.292 CC(C)CCCSCC1CC(=O)C1 62a_100011214892_100009874392 [0,1,0,0,1,0|2,0,0]=4 5049 B13R1.292 CC(O)CCCOCC1CC(=O)C1 34a_100000101936_200000718107 [0,1,0,0,1,0|2,0,0]=4 5050 B13R1.292 CC(O)CCCSCC1CC(=O)C1 62a_100009874392_200000718107 [0,1,0,0,1,0|2,0,0]=4 5051 B13R1.292 CC(O)CCCSCC1CC(=O)C1 62a_200000718107_100009874392 [0,1,0,0,1,0|2,0,0]=4 5052 B13R1.362 C=C1CC(C1)CNCCCCCC 2230a_100102567296_100000210314 [0,1,0,0,1,0|2,0,0]=4 5053 B13R1.362 C=C1CC(C1)CNCCCCCC 34a_100102567296_100000210314 [0,1,0,0,1,0|2,0,0]=4 5054 B13R1.362 C=C1CC(C1)COCCCCCC 34a_100011011225_100000210314 [0,1,0,0,1,0|2,0,0]=4 5055 B13R1.362 C=C1CC(C1)NCCCCCCC 2230a_100132301982_100000210681 [0,1,0,0,1,0|2,0,0]=4 5056 B13R1.362 CCCCCCCSC1CC(=O)C1 62a_100009894365_100000210316 [0,1,0,0,1,0|1,0,0]=3 5057 B13R1.362 CCCCCCNCC1CC(=O)C1 2230a_100000210581_100009874392 [0,1,0,0,1,0|1,0,0]=3 5058 B13R1.362 CCCCCCOCC1CC(=O)C1 34a_100000101936_100000210314 [0,1,0,0,1,0|1,0,0]=3 5059 B13R1.362 CCCCCCOCC1CC(=O)C1 7a_100000210259_100009874392 [0,1,0,0,1,0|1,0,0]=3 5060 B13R1.362 CCCCCCSCC1CC(=O)C1 62a_100000210314_100009874392 [0,1,0,0,1,0|1,0,0]=3 5061 B13R1.362 CCCCCCSCC1CC(=O)C1 62a_100009874392_100000210757 [0,1,0,0,1,0|1,0,0]=3 5062 B13R1.362 CCCCOCCSC1CC(=O)C1 62a_100009894365_100000743108 [0,1,0,0,1,0|2,0,0]=4 5063 B13R1.362 CCCCOCOCC1CC(=O)C1 34a_100000101936_100011995733 [0,1,0,0,1,0|2,0,0]=4 5064 B13R1.362 CCCCOCSCC1CC(=O)C1 62a_100009874392_100011995733 [0,1,0,0,1,0|2,0,0]=4 5065 B13R1.362 CCCCOCSCC1CC(=O)C1 62a_100011995733_100009874392 [0,1,0,0,1,0|2,0,0]=4 5066 B13R1.362 CCCOCCNCC1CC(=O)C1 2230a_100161115042_100009874392 [0,1,0,0,1,0|2,0,0]=4 5067 B13R1.362 CCCOCCOCC1CC(=O)C1 34a_100000101936_100011215938 [0,1,0,0,1,0|2,0,0]=4 5068 B13R1.362 CCCOCCOCC1CC(=O)C1 7a_100000752267_100009874392 [0,1,0,0,1,0|2,0,0]=4 5069 B13R1.362 CCCOCCSCC1CC(=O)C1 62a_100009874392_100011215938 [0,1,0,0,1,0|2,0,0]=4 5070 B13R1.362 CCCOCCSCC1CC(=O)C1 62a_100011215938_100009874392 [0,1,0,0,1,0|2,0,0]=4 5071 B13R1.362 CCCSCCNCC1CC(=O)C1 2230a_100020603323_100009874392 [0,1,0,0,1,0|2,0,0]=4 5072 B13R1.362 CCCSCCOCC1CC(=O)C1 7a_200000230433_100009874392 [0,1,0,0,1,0|2,0,0]=4 5073 B13R1.362 CCOCCCNCC1CC(=O)C1 2230a_100000210961_100009874392 [0,1,0,0,1,0|2,0,0]=4 5074 B13R1.362 CCOCCCOCC1CC(=O)C1 34a_100000101936_100012232248 [0,1,0,0,1,0|2,0,0]=4 5075 B13R1.362 CCOCCCOCC1CC(=O)C1 7a_100000757476_100009874392 [0,1,0,0,1,0|2,0,0]=4 5076 B13R1.362 CCOCCCSCC1CC(=O)C1 62a_100009874392_100012232248 [0,1,0,0,1,0|2,0,0]=4 5077 B13R1.362 CCOCCCSCC1CC(=O)C1 62a_100012232248_100009874392 [0,1,0,0,1,0|2,0,0]=4 5078 B13R1.362 CCSCCCOCC1CC(=O)C1 7a_100011216438_100009874392 [0,1,0,0,1,0|2,0,0]=4 5079 B13R1.362 COCCCCOCC1CC(=O)C1 34a_100000101936_100000755781 [0,1,0,0,1,0|2,0,0]=4 5080 B13R1.362 COCCCCSCC1CC(=O)C1 62a_100000730899_100009874392 [0,1,0,0,1,0|2,0,0]=4 5081 B13R1.362 COCCCCSCC1CC(=O)C1 62a_100009874392_100000730899 [0,1,0,0,1,0|2,0,0]=4 5082 B13R1.362 CSCCCCOCC1CC(=O)C1 7a_100011217163_100009874392 [0,1,0,0,1,0|2,0,0]=4 5083 B13R1.362 O=C1CC(C1)CNCCCCCO 2230a_100000762737_100009874392 [0,1,0,0,1,0|2,0,0]=4 5084 B13R1.362 O=C1CC(C1)COCCCCCBr 7a_100000746331_100009874392 [0,1,0,0,1,0|2,0,0]=4 5085 B13R1.362 O=C1CC(C1)COCCCCCCl 7a_100000746330_100009874392 [0,1,0,0,1,0|2,0,0]=4 5086 B13R1.362 O=C1CC(C1)COCCCCCF 34a_100000101936_100000729378 [0,1,0,0,1,0|2,0,0]=4 5087 B13R1.362 O=C1CC(C1)COCCCCCI 7a_200012148887_100009874392 [0,1,0,0,1,0|2,0,0]=4 5088 B13R1.362 O=C1CC(C1)COCCCCCO 34a_100000101936_100000746330 [0,1,0,0,1,0|2,0,0]=4 5089 B13R1.362 O=C1CC(C1)CSCCCCCF 62a_100000729378_100009874392 [0,1,0,0,1,0|2,0,0]=4 5090 B13R1.362 O=C1CC(C1)CSCCCCCF 62a_100009874392_100000729378 [0,1,0,0,1,0|2,0,0]=4 5091 B13R1.362 O=C1CC(C1)CSCCCCCO 62a_100000746330_100009874392 [0,1,0,0,1,0|2,0,0]=4 5092 B13R1.362 O=C1CC(C1)CSCCCCCO 62a_100009874392_100000746330 [0,1,0,0,1,0|2,0,0]=4 5093 B13R1.362 O=C1CC(C1)SCCCCCCF 62a_100009894365_100015922095 [0,1,0,0,1,0|2,0,0]=4 5094 B13R1.362 O=C1CC(C1)SCCCCCCO 62a_100009894365_100000766143 [0,1,0,0,1,0|2,0,0]=4 5095 B13R1.462 CCCC(C)COCC1CC(=O)C1 34a_100000101936_100011216630 [0,1,0,0,1,0|2,0,0]=4 5096 B13R1.462 CCCC(C)COCC1CC(=O)C1 7a_100000688023_100009874392 [0,1,0,0,1,0|2,0,0]=4 5097 B13R1.462 CCCC(C)CSCC1CC(=O)C1 62a_100009874392_100011216630 [0,1,0,0,1,0|2,0,0]=4 5098 B13R1.462 CCCC(C)CSCC1CC(=O)C1 62a_100011216630_100009874392 [0,1,0,0,1,0|2,0,0]=4 5099 B13R1.530 CCC(C)CCNCC1CC(=O)C1 2230a_100020591266_100009874392 [0,1,0,0,1,0|2,0,0]=4 5100 B13R1.530 CCC(C)CCOCC1CC(=O)C1 7a_100011215188_100009874392 [0,1,0,0,1,0|2,0,0]=4 5101 B13R1.678 CCCCC(C)NCC1CC(=O)C1 2230a_100000126638_100009874392 [0,1,0,0,1,0|2,0,0]=4 5102 B13R1.678 CCCCC(C)OCC1CC(=O)C1 34a_100000101936_200011215066 [0,1,0,0,1,0|2,0,0]=4 5103 B13R1.678 CCCCC(C)OCC1CC(=O)C1 7a_100000687866_100009874392 [0,1,0,0,1,0|2,0,0]=4 5104 B13R1.678 CCCCC(C)SCC1CC(=O)C1 62a_100009874392_200011215066 [0,1,0,0,1,0|2,0,0]=4 5105 B13R1.678 CCCCC(C)SCC1CC(=O)C1 62a_200011215066_100009874392 [0,1,0,0,1,0|2,0,0]=4 5106 B13R1.727 CCCCCC(=O)CC1CC(=O)C1 1458a_100000212188_100009874392 [0,1,0,0,1,0|1,0,1]=4 5107 B13R1.727 CCCCCC(C)SC1CC(=O)C1 62a_100009894365_200011218191 [0,1,0,0,1,0|2,0,0]=4 5108 B13R1.727 CCCCCN(C)CC1CC(=O)C1 2230a_100000223495_100009874392 [0,1,0,0,1,0|2,0,0]=4 5109 B13R1.727 CCCCCN(C)CC1CC(=O)C1 269982a_100000223495_100009874392 [0,1,0,0,1,0|2,0,0]=4 5110 B13R1.2919 CCCCCCC(=O)[C@@H]1CC(=O)N1 1458a_100016090685_100000210757 [0,1,0,0,1,0|1,0,1]=4 5111 B13R1.2919 CCCCCCN(C)C1CC(=O)C1 269982a_106256046315_100009894365 [0,1,0,0,1,0|2,0,0]=4 5112 B13R1.297 C=C(C)CCSCCC1CCC1=O 62a_100000730704_200016118888 [0,1,0,0,1,0|1,0,1]=4 5113 B13R1.297 C=C(C)CCSCCC1CCC1=O 62a_200016118888_100000730704 [0,1,0,0,1,0|1,0,1]=4 5114 B13R1.297 CC(=O)CCCCSC1CCC1=O 62a_100000735457_100009892977 [0,1,0,0,1,0|1,0,1]=4 5115 B13R1.297 CC(=O)CCCCSC1CCC1=O 62a_100009892977_100000735457 [0,1,0,0,1,0|1,0,1]=4 5116 B13R1.297 CC(=O)CCOCCC1CCC1=O 7a_100000759926_200016118888 [0,1,0,0,1,0|1,0,1]=4 5117 B13R1.297 CC(=O)CCSCCC1CCC1=O 62a_100000053229_200016118888 [0,1,0,0,1,0|1,0,1]=4 5118 B13R1.297 CC(=O)CCSCCC1CCC1=O 62a_200016118888_100000053229 [0,1,0,0,1,0|1,0,1]=4 5119 B13R1.297 CC(C)CCCCOC1CCC1=O 34a_100011214890_100009892977 [0,1,0,0,1,0|1,0,0]=3 5120 B13R1.297 CC(C)CCCCOC1CCC1=O 7a_100011214890_100009892977 [0,1,0,0,1,0|1,0,0]=3 5121 B13R1.297 CC(C)CCCCSC1CCC1=O 62a_100009892977_100011216152 [0,1,0,0,1,0|1,0,0]=3 5122 B13R1.297 CC(C)CCCCSC1CCC1=O 62a_100011216152_100009892977 [0,1,0,0,1,0|1,0,0]=3 5123 B13R1.297 CC(C)CCOCCC1CCC1=O 7a_100000210254_200016118888 [0,1,0,0,1,0|1,0,0]=3 5124 B13R1.297 CC(C)CCSCCC1CCC1=O 62a_100000210312_200016118888 [0,1,0,0,1,0|1,0,0]=3 5125 B13R1.297 CC(C)CCSCCC1CCC1=O 62a_200016118888_100000210312 [0,1,0,0,1,0|1,0,0]=3 5126 B13R1.297 CC(C)CNCCOC1CCC1=O 34a_100015185251_100009892977 [0,1,0,0,1,0|2,0,0]=4 5127 B13R1.297 CC(C)COCCOC1CCC1=O 34a_100000703358_100009892977 [0,1,0,0,1,0|2,0,0]=4 5128 B13R1.297 CC(C)COCCOC1CCC1=O 7a_100000703358_100009892977 [0,1,0,0,1,0|2,0,0]=4 5129 B13R1.297 CC(C)CSCCOC1CCC1=O 34a_200000230437_100009892977 [0,1,0,0,1,0|2,0,0]=4 5130 B13R1.297 CC(C)CSCCOC1CCC1=O 7a_200000230437_100009892977 [0,1,0,0,1,0|2,0,0]=4 5131 B13R1.297 CC(C)NCCCOC1CCC1=O 34a_100000182298_100009892977 [0,1,0,0,1,0|2,0,0]=4 5132 B13R1.297 CC(C)OCCCNC1CCC1=O 34a_100000737246_100009892977 [0,1,0,0,1,0|2,0,0]=4 5133 B13R1.297 CC(C)OCSCCC1CCC1=O 62a_100000709892_200016118888 [0,1,0,0,1,0|2,0,0]=4 5134 B13R1.297 CC(C)OCSCCC1CCC1=O 62a_200016118888_100000709892 [0,1,0,0,1,0|2,0,0]=4 5135 B13R1.297 CC(O)CCNCCC1CCC1=O 2230a_200000755665_200016118888 [0,1,0,0,1,0|1,0,0]=3 5136 B13R1.297 CC(O)CCSCCC1CCC1=O 62a_100012276601_200016118888 [0,1,0,0,1,0|1,0,0]=3 5137 B13R1.297 CC(O)CCSCCC1CCC1=O 62a_200016118888_100012276601 [0,1,0,0,1,0|1,0,0]=3 5138 B13R1.297 CN(C)CCCCSC1CCC1=O 62a_100009892977_100000690147 [0,1,0,0,1,0|2,0,0]=4 5139 B13R1.297 CN(C)CCSCCC1CCC1=O 62a_200016118888_100000755713 [0,1,0,0,1,0|2,0,0]=4 5140 B13R1.461 CC(CCO)SCCC1CCC1=O 62a_100009893172_200016118888 [0,1,0,0,1,0|2,0,0]=4 5141 B13R1.461 CC(CCO)SCCC1CCC1=O 62a_200016118888_100009893172 [0,1,0,0,1,0|2,0,0]=4 5142 B13R1.461 CCCC(C)CCOC1CCC1=O 34a_100011217855_100009892977 [0,1,0,0,1,0|1,0,0]=3 5143 B13R1.461 CCCC(C)CCOC1CCC1=O 7a_100011217855_100009892977 [0,1,0,0,1,0|1,0,0]=3 5144 B13R1.461 CCCC(C)NCCC1CCC1=O 2230a_100000741246_200016118888 [0,1,0,0,1,0|1,0,0]=3 5145 B13R1.461 CCCC(C)OCCC1CCC1=O 7a_100000764384_200016118888 [0,1,0,0,1,0|1,0,0]=3 5146 B13R1.461 CCCC(C)SCCC1CCC1=O 62a_100000766640_200016118888 [0,1,0,0,1,0|1,0,0]=3 5147 B13R1.461 CCCC(C)SCCC1CCC1=O 62a_200016118888_100000766640 [0,1,0,0,1,0|1,0,0]=3 5148 B13R1.461 CCC[C@H](N)CCOC1CCC1=O 34a_100015193777_100009892977 [0,1,0,0,1,0|1,0,0]=3 5149 B13R1.461 COCC(C)SCCC1CCC1=O 62a_100000765312_200016118888 [0,1,0,0,1,0|2,0,0]=4 5150 B13R1.461 COCC(C)SCCC1CCC1=O 62a_200016118888_100000765312 [0,1,0,0,1,0|2,0,0]=4 5151 B13R1.461 COC[C@@H](C)NCCC1CCC1=O 2230a_100000764878_200016118888 [0,1,0,0,1,0|2,0,0]=4 5152 B13R1.461 C[C@H](CCO)NCCC1CCC1=O 2230a_100000706166_200016118888 [0,1,0,0,1,0|2,0,0]=4 5153 B13R1.595 CCC(=O)CSCCC1CCC1=O 62a_100000747405_200016118888 [0,1,0,0,1,0|1,0,1]=4 5154 B13R1.595 CCC(=O)CSCCC1CCC1=O 62a_200016118888_100000747405 [0,1,0,0,1,0|1,0,1]=4 5155 B13R1.595 CCC(C)CCCOC1CCC1=O 7a_100011216074_100009892977 [0,1,0,0,1,0|1,0,0]=3 5156 B13R1.595 CCC(C)CNCCC1CCC1=O 2230a_100020588543_200016118888 [0,1,0,0,1,0|1,0,0]=3 5157 B13R1.595 CCC(C)CSCCC1CCC1=O 62a_100000748023_200016118888 [0,1,0,0,1,0|1,0,0]=3 5158 B13R1.595 CCC(C)CSCCC1CCC1=O 62a_200016118888_100000748023 [0,1,0,0,1,0|1,0,0]=3 5159 B13R1.595 CCC(O)CNCCC1CCC1=O 2230a_100011218483_200016118888 [0,1,0,0,1,0|1,0,0]=3 5160 B13R1.595 CCC(O)CSCCC1CCC1=O 62a_100011218378_200016118888 [0,1,0,0,1,0|1,0,0]=3 5161 B13R1.595 CCC(O)CSCCC1CCC1=O 62a_200016118888_100011218378 [0,1,0,0,1,0|1,0,0]=3 5162 B13R1.595 CCN(C)CCCSC1CCC1=O 62a_100009892977_100015186262 [0,1,0,0,1,0|2,0,0]=4 5163 B13R1.595 CC[C@H](C)COCCC1CCC1=O 7a_100009816381_200016118888 [0,1,0,0,1,0|1,0,0]=3 5164 B13R1.595 CC[C@H](C)CSCCC1CCC1=O 62a_100009816398_200016118888 [0,1,0,0,1,0|1,0,0]=3 5165 B13R1.595 CC[C@H](C)CSCCC1CCC1=O 62a_200016118888_100009816398 [0,1,0,0,1,0|1,0,0]=3 5166 B13R1.595 CO[C@H](C)CNCCC1CCC1=O 2230a_100020591295_200016118888 [0,1,0,0,1,0|2,0,0]=4 5167 B13R1.595 C[C@@H](CN)CCCOC1CCC1=O 34a_100160569302_100009892977 [0,1,0,0,1,0|2,0,0]=4 5168 B13R1.595 C[C@@H](CO)CSCCC1CCC1=O 62a_100000059175_200016118888 [0,1,0,0,1,0|2,0,0]=4 5169 B13R1.595 C[C@@H](CO)CSCCC1CCC1=O 62a_200016118888_100000059175 [0,1,0,0,1,0|2,0,0]=4 5170 B13R1.595 O=C1CCC1CCNC[C@H](O)CO 2230a_100020644852_200016118888 [0,1,0,0,1,0|2,0,0]=4 5171 B13R1.595 O=C1CCC1CCSCC(O)CO 62a_100011219619_200016118888 [0,1,0,0,1,0|2,0,0]=4 5172 B13R1.595 O=C1CCC1CCSCC(O)CO 62a_200016118888_100011219619 [0,1,0,0,1,0|2,0,0]=4 5173 B13R1.595 O=C1CCC1CCSC[C@@H](O)CF 62a_100015614560_200016118888 [0,1,0,0,1,0|2,0,0]=4 5174 B13R1.595 O=C1CCC1CCSC[C@@H](O)CF 62a_200016118888_100015614560 [0,1,0,0,1,0|2,0,0]=4 5175 B13R1.595 O=C1CCC1CCSC[C@@H](O)CO 62a_100009815848_200016118888 [0,1,0,0,1,0|2,0,0]=4 5176 B13R1.595 O=C1CCC1CCSC[C@@H](O)CO 62a_200016118888_100009815848 [0,1,0,0,1,0|2,0,0]=4 5177 B13R1.667 C#CCCCCCOC1CCC1=O 34a_100000766912_100009892977 [0,1,0,0,1,0|0,0,2]=4 5178 B13R1.667 C#CCCCCCOC1CCC1=O 7a_100000766912_100009892977 [0,1,0,0,1,0|0,0,2]=4 5179 B13R1.667 C#CCCCCCSC1CCC1=O 62a_100009892977_100012094781 [0,1,0,0,1,0|0,0,2]=4 5180 B13R1.667 C#CCCCCCSC1CCC1=O 62a_100012094781_100009892977 [0,1,0,0,1,0|0,0,2]=4 5181 B13R1.667 C#CCCCOCCC1CCC1=O 7a_100000215630_200016118888 [0,1,0,0,1,0|0,0,2]=4 5182 B13R1.667 C#CCCCSCCC1CCC1=O 62a_100011215417_200016118888 [0,1,0,0,1,0|0,0,2]=4 5183 B13R1.667 C#CCCCSCCC1CCC1=O 62a_200016118888_100011215417 [0,1,0,0,1,0|0,0,2]=4 5184 B13R1.667 C=CCCCCCOC1CCC1=O 34a_100011216702_100009892977 [0,1,0,0,1,0|0,0,2]=4 5185 B13R1.667 C=CCCCCCOC1CCC1=O 7a_100011216702_100009892977 [0,1,0,0,1,0|0,0,2]=4 5186 B13R1.667 C=CCCCCCSC1CCC1=O 62a_100000700193_100009892977 [0,1,0,0,1,0|0,0,2]=4 5187 B13R1.667 C=CCCCCCSC1CCC1=O 62a_100009892977_100000700193 [0,1,0,0,1,0|0,0,2]=4 5188 B13R1.667 C=CCCCNCCC1CCC1=O 2230a_100000700776_200016118888 [0,1,0,0,1,0|0,0,2]=4 5189 B13R1.667 C=CCCCOCCC1CCC1=O 7a_100000758997_200016118888 [0,1,0,0,1,0|0,0,2]=4 5190 B13R1.667 C=CCCCSCCC1CCC1=O 62a_100011713584_200016118888 [0,1,0,0,1,0|0,0,2]=4 5191 B13R1.667 C=CCCCSCCC1CCC1=O 62a_200016118888_100000757094 [0,1,0,0,1,0|0,0,2]=4 5192 B13R1.667 CC/C=C/CCCOC1CCC1=O 34a_100016287902_100009892977 [0,1,0,0,1,0|0,0,2]=4 5193 B13R1.667 CC/C=C/CCCOC1CCC1=O 7a_100016287902_100009892977 [0,1,0,0,1,0|0,0,2]=4 5194 B13R1.667 CC/C=C\CSCCC1CCC1=O 62a_100103147603_200016118888 [0,1,0,0,1,0|0,0,2]=4 5195 B13R1.667 CC/C=C\CSCCC1CCC1=O 62a_200016118888_100103147603 [0,1,0,0,1,0|0,0,2]=4 5196 B13R1.667 CCC#CCSCCC1CCC1=O 62a_100009813939_200016118888 [0,1,0,0,1,0|0,0,2]=4 5197 B13R1.667 CCC#CCSCCC1CCC1=O 62a_200016118888_100009813939 [0,1,0,0,1,0|0,0,2]=4 5198 B13R1.667 CCCC#CCCOC1CCC1=O 34a_100000042726_100009892977 [0,1,0,0,1,0|0,0,2]=4 5199 B13R1.667 CCCC#CCCOC1CCC1=O 7a_100000042726_100009892977 [0,1,0,0,1,0|0,0,2]=4 5200 B13R1.667 CCCC/C=C/COC1CCC1=O 34a_200016272032_100009892977 [0,1,0,0,1,0|0,0,2]=4 5201 B13R1.667 CCCC/C=C/COC1CCC1=O 7a_200016272032_100009892977 [0,1,0,0,1,0|0,0,2]=4 5202 B13R1.667 CCCCC#CCOC1CCC1=O 34a_200000034558_100009892977 [0,1,0,0,1,0|0,0,2]=4 5203 B13R1.667 CCCCC#CCOC1CCC1=O 7a_200000034558_100009892977 [0,1,0,0,1,0|0,0,2]=4 5204 B13R1.667 CCCCCCCOC1CCC1=O 34a_100000210272_100009892977 [0,1,0,0,1,0|0,0,0]=2 5205 B13R1.667 CCCCCCCOC1CCC1=O 7a_100000210272_100009892977 [0,1,0,0,1,0|0,0,0]=2 5206 B13R1.667 CCCCCCCSC1CCC1=O 62a_100000210614_100009892977 [0,1,0,0,1,0|0,0,0]=2 5207 B13R1.667 CCCCCCCSC1CCC1=O 62a_100009892977_100000210316 [0,1,0,0,1,0|0,0,0]=2 5208 B13R1.667 CCCCCNCCC1CCC1=O 2230a_100000209983_200016118888 [0,1,0,0,1,0|0,0,0]=2 5209 B13R1.667 CCCCCOCCC1CCC1=O 7a_100000210253_200016118888 [0,1,0,0,1,0|0,0,0]=2 5210 B13R1.667 CCCCCSCCC1CCC1=O 62a_100000210326_200016118888 [0,1,0,0,1,0|0,0,0]=2 5211 B13R1.667 CCCCCSCCC1CCC1=O 62a_200016118888_100000210326 [0,1,0,0,1,0|0,0,0]=2 5212 B13R1.667 CCCCOCCOC1CCC1=O 34a_100000210238_100009892977 [0,1,0,0,1,0|1,0,0]=3 5213 B13R1.667 CCCCOCCOC1CCC1=O 7a_100000210238_100009892977 [0,1,0,0,1,0|1,0,0]=3 5214 B13R1.667 CCCCOCCSC1CCC1=O 62a_100000743108_100009892977 [0,1,0,0,1,0|1,0,0]=3 5215 B13R1.667 CCCCOCCSC1CCC1=O 62a_100009892977_100000743108 [0,1,0,0,1,0|1,0,0]=3 5216 B13R1.667 CCCCSCCOC1CCC1=O 34a_200000230436_100009892977 [0,1,0,0,1,0|1,0,0]=3 5217 B13R1.667 CCCCSCCOC1CCC1=O 7a_200000230436_100009892977 [0,1,0,0,1,0|1,0,0]=3 5218 B13R1.667 CCCOCCCNC1CCC1=O 34a_100011217757_100009892977 [0,1,0,0,1,0|1,0,0]=3 5219 B13R1.667 CCOCCNCCC1CCC1=O 2230a_102516460346_200016118888 [0,1,0,0,1,0|1,0,0]=3 5220 B13R1.667 CCOCCOCCC1CCC1=O 7a_100000210136_200016118888 [0,1,0,0,1,0|1,0,0]=3 5221 B13R1.667 CCOCCSCCC1CCC1=O 62a_100000210147_200016118888 [0,1,0,0,1,0|1,0,0]=3 5222 B13R1.667 CCOCCSCCC1CCC1=O 62a_200016118888_100011215890 [0,1,0,0,1,0|1,0,0]=3 5223 B13R1.667 CCSCCNCCC1CCC1=O 2230a_100000106463_200016118888 [0,1,0,0,1,0|1,0,0]=3 5224 B13R1.667 CCSCCOCCC1CCC1=O 7a_100000212035_200016118888 [0,1,0,0,1,0|1,0,0]=3 5225 B13R1.667 CCSCCSCCC1CCC1=O 62a_100000757381_200016118888 [0,1,0,0,1,0|1,0,0]=3 5226 B13R1.667 CCSCCSCCC1CCC1=O 62a_200016118888_100000757381 [0,1,0,0,1,0|1,0,0]=3 5227 B13R1.667 CNCCCCCOC1CCC1=O 34a_100000722520_100009892977 [0,1,0,0,1,0|1,0,0]=3 5228 B13R1.667 CNCCOCCOC1CCC1=O 34a_100000228057_100009892977 [0,1,0,0,1,0|2,0,0]=4 5229 B13R1.667 COCCCCCNC1CCC1=O 34a_100000747528_100009892977 [0,1,0,0,1,0|1,0,0]=3 5230 B13R1.667 COCCCSCCC1CCC1=O 62a_100000709357_200016118888 [0,1,0,0,1,0|1,0,0]=3 5231 B13R1.667 COCCCSCCC1CCC1=O 62a_200016118888_100000709357 [0,1,0,0,1,0|1,0,0]=3 5232 B13R1.667 COCCOCCNC1CCC1=O 34a_100000745349_100009892977 [0,1,0,0,1,0|2,0,0]=4 5233 B13R1.667 COCCOCCOC1CCC1=O 34a_100011215163_100009892977 [0,1,0,0,1,0|2,0,0]=4 5234 B13R1.667 COCCOCCOC1CCC1=O 7a_100011215163_100009892977 [0,1,0,0,1,0|2,0,0]=4 5235 B13R1.667 COCCOCCSC1CCC1=O 62a_100000695917_100009892977 [0,1,0,0,1,0|2,0,0]=4 5236 B13R1.667 COCCOCCSC1CCC1=O 62a_100009892977_100000695917 [0,1,0,0,1,0|2,0,0]=4 5237 B13R1.667 CSCCCNCCC1CCC1=O 2230a_100000749238_200016118888 [0,1,0,0,1,0|1,0,0]=3 5238 B13R1.667 CSCCCOCCC1CCC1=O 7a_100000690336_200016118888 [0,1,0,0,1,0|1,0,0]=3 5239 B13R1.667 N#CCCCCCSC1CCC1=O 62a_100009813376_100009892977 [0,1,0,0,1,0|1,0,1]=4 5240 B13R1.667 N#CCCCCCSC1CCC1=O 62a_100009892977_100009813376 [0,1,0,0,1,0|1,0,1]=4 5241 B13R1.667 N#CCCCSCCC1CCC1=O 62a_100000687738_200016118888 [0,1,0,0,1,0|1,0,1]=4 5242 B13R1.667 N#CCCCSCCC1CCC1=O 62a_200016118888_100000687738 [0,1,0,0,1,0|1,0,1]=4 5243 B13R1.667 NCCCCCCOC1CCC1=O 34a_100000686447_100009892977 [0,1,0,0,1,0|1,0,0]=3 5244 B13R1.667 O=C1CCC1CCNCCCCO 2230a_100000750430_200016118888 [0,1,0,0,1,0|1,0,0]=3 5245 B13R1.667 O=C1CCC1CCOCCCCCl 7a_100000210776_200016118888 [0,1,0,0,1,0|1,0,0]=3 5246 B13R1.667 O=C1CCC1CCOCCCCF 7a_100011995726_200016118888 [0,1,0,0,1,0|1,0,0]=3 5247 B13R1.667 O=C1CCC1CCSCCCCF 62a_100000729493_200016118888 [0,1,0,0,1,0|1,0,0]=3 5248 B13R1.667 O=C1CCC1CCSCCCCF 62a_200016118888_100000729493 [0,1,0,0,1,0|1,0,0]=3 5249 B13R1.667 O=C1CCC1CCSCCCCO 62a_100000210776_200016118888 [0,1,0,0,1,0|1,0,0]=3 5250 B13R1.667 O=C1CCC1CCSCCCCO 62a_200016118888_100000210776 [0,1,0,0,1,0|1,0,0]=3 5251 B13R1.667 O=C1CCC1NCCCCCCO 34a_100000686447_100009892977 [0,1,0,0,1,0|1,0,0]=3 5252 B13R1.667 O=C1CCC1OCCCCCCBr 34a_100011215345_100009892977 [0,1,0,0,1,0|1,0,0]=3 5253 B13R1.667 O=C1CCC1OCCCCCCBr 7a_100011215345_100009892977 [0,1,0,0,1,0|1,0,0]=3 5254 B13R1.667 O=C1CCC1OCCCCCCCl 34a_100000766143_100009892977 [0,1,0,0,1,0|1,0,0]=3 5255 B13R1.667 O=C1CCC1OCCCCCCCl 7a_100000766143_100009892977 [0,1,0,0,1,0|1,0,0]=3 5256 B13R1.667 O=C1CCC1OCCCCCCF 34a_100000732779_100009892977 [0,1,0,0,1,0|1,0,0]=3 5257 B13R1.667 O=C1CCC1OCCCCCCF 7a_100000732779_100009892977 [0,1,0,0,1,0|1,0,0]=3 5258 B13R1.667 O=C1CCC1SCCCCCCF 62a_100009892977_100015922095 [0,1,0,0,1,0|1,0,0]=3 5259 B13R1.667 O=C1CCC1SCCCCCCF 62a_100015922095_100009892977 [0,1,0,0,1,0|1,0,0]=3 5260 B13R1.667 O=C1CCC1SCCCCCCO 62a_100000766143_100009892977 [0,1,0,0,1,0|1,0,0]=3 5261 B13R1.667 O=C1CCC1SCCCCCCO 62a_100009892977_100000766143 [0,1,0,0,1,0|1,0,0]=3 5262 B13R1.667 O=CCCCCCSC1CCC1=O 62a_100000139337_100009892977 [0,1,0,0,1,0|1,0,1]=4 5263 B13R1.667 O=CCCCCCSC1CCC1=O 62a_100009892977_100000139337 [0,1,0,0,1,0|1,0,1]=4 5264 B13R1.667 O=CCCCSCCC1CCC1=O 62a_200011292268_200016118888 [0,1,0,0,1,0|1,0,1]=4 5265 B13R1.667 O=CCCCSCCC1CCC1=O 62a_200016118888_200011292268 [0,1,0,0,1,0|1,0,1]=4 5266 B13R1.677 CCCCC(=O)CCC1CCC1=O 1458a_100000210183_200016118888 [0,1,0,0,1,0|0,0,1]=3 5267 B13R1.677 CCCCC(C)COC1CCC1=O 34a_100011995851_100009892977 [0,1,0,0,1,0|1,0,0]=3 5268 B13R1.677 CCCCC(C)COC1CCC1=O 7a_100011995851_100009892977 [0,1,0,0,1,0|1,0,0]=3 5269 B13R1.677 CCCCN(C)CCC1CCC1=O 2230a_100000207549_200016118888 [0,1,0,0,1,0|1,0,0]=3 5270 B13R1.677 CCCCN(C)CCC1CCC1=O 269982a_100000207549_200016118888 [0,1,0,0,1,0|1,0,0]=3 5271 B13R1.677 CCCC[C@H](N)COC1CCC1=O 34a_100011934283_100009892977 [0,1,0,0,1,0|1,0,0]=3 5272 B13R1.677 CCCOC(C)CNC1CCC1=O 34a_100015185124_100009892977 [0,1,0,0,1,0|2,0,0]=4 5273 B13R1.677 CCOCC(=O)CCC1CCC1=O 1458a_100000211967_200016118888 [0,1,0,0,1,0|1,0,1]=4 5274 B13R1.677 CCOCC(O)CNC1CCC1=O 34a_102515437182_100009892977 [0,1,0,0,1,0|2,0,0]=4 5275 B13R1.677 CCSCC(=O)CCC1CCC1=O 1458a_100000230394_200016118888 [0,1,0,0,1,0|1,0,1]=4 5276 B13R1.677 CN(CCCO)CCC1CCC1=O 2230a_100000213112_200016118888 [0,1,0,0,1,0|2,0,0]=4 5277 B13R1.677 CN(CCCO)CCC1CCC1=O 269982a_100000213112_200016118888 [0,1,0,0,1,0|2,0,0]=4 5278 B13R1.677 COCCC(=O)CCC1CCC1=O 1458a_100000749529_200016118888 [0,1,0,0,1,0|1,0,1]=4 5279 B13R1.677 COCCN(C)CCC1CCC1=O 2230a_100000743101_200016118888 [0,1,0,0,1,0|2,0,0]=4 5280 B13R1.677 COCCN(C)CCC1CCC1=O 269982a_100000743101_200016118888 [0,1,0,0,1,0|2,0,0]=4 5281 B13R1.677 CSCCC(=O)CCC1CCC1=O 1458a_100000174002_200016118888 [0,1,0,0,1,0|1,0,1]=4 5282 B13R1.677 CSCCN(C)CCC1CCC1=O 2230a_100000686725_200016118888 [0,1,0,0,1,0|2,0,0]=4 5283 B13R1.677 CSCCN(C)CCC1CCC1=O 269982a_100000686725_200016118888 [0,1,0,0,1,0|2,0,0]=4 5284 B13R1.677 CSCC[C@H](N)COC1CCC1=O 34a_100011827619_100009892977 [0,1,0,0,1,0|2,0,0]=4 5285 B13R1.677 C[C@H](CCCO)CNC1CCC1=O 34a_100160569302_100009892977 [0,1,0,0,1,0|2,0,0]=4 5286 B13R1.2918 CCCCCCC(=O)C1CCC1=O 1458a_100102632555_100009892977 [0,1,0,0,1,0|0,0,1]=3 5287 B13R1.2918 CCCCCCN(C)C1CCC1=O 269982a_106256046315_100009892977 [0,1,0,0,1,0|1,0,0]=3 5288 B13R1.2918 CCCCOCC(=O)C1CCC1=O 1458a_100000757543_100009892977 [0,1,0,0,1,0|1,0,1]=4 5289 B13R1.2918 CCCCSCC(=O)C1CCC1=O 1458a_100000191162_100009892977 [0,1,0,0,1,0|1,0,1]=4 5290 B13R1.2918 CN(CCCCCO)C1CCC1=O 269982a_100000722520_100009892977 [0,1,0,0,1,0|2,0,0]=4 5291 B13R1.2918 O=C(CCCCCO)C1CCC1=O 1458a_100102619762_100009892977 [0,1,0,0,1,0|1,0,1]=4 5292 B13R1.3538 CCCCCC(C)OC1CCC1=O 34a_100011215632_100009892977 [0,1,0,0,1,0|1,0,0]=3 5293 B13R1.3538 CCCCCC(C)OC1CCC1=O 7a_100011215632_100009892977 [0,1,0,0,1,0|1,0,0]=3 5294 B13R1.3538 CCCCCC(C)SC1CCC1=O 62a_100009892977_200011218191 [0,1,0,0,1,0|1,0,0]=3 5295 B13R1.3538 CCCCCC(C)SC1CCC1=O 62a_200011218191_100009892977 [0,1,0,0,1,0|1,0,0]=3 5296 B13R1.3538 COCCCC(C)OC1CCC1=O 34a_200011539412_100009892977 [0,1,0,0,1,0|2,0,0]=4 5297 B13R1.3538 COCCCC(C)OC1CCC1=O 7a_200011539412_100009892977 [0,1,0,0,1,0|2,0,0]=4 5298 B15R1.11 CCCC(C)COCC1CCC(=O)CC1 34a_100000062911_100011216630 [0,1,0,0,0,1|2,0,0]=4 5299 B15R1.12 C=C1CCC(CC1)COCCCCCC 34a_100000074039_100000210314 [0,1,0,0,0,1|2,0,0]=4 5300 B15R1.12 C=C1CCC(CC1)NCCCCCCC 270004a_100000229938_100010272673 [0,1,0,0,0,1|2,0,0]=4 5301 B15R1.12 CCCCCCCNC1CCC(=O)NC1 2230a_100000748762_100000210681 [0,1,0,0,0,1|1,0,0]=3 5302 B15R1.12 CCCCCCCNC1CCC(=O)NC1 34a_100000748762_100000210614 [0,1,0,0,0,1|1,0,0]=3 5303 B15R1.12 CCCCCCCOC1CCC(=O)CC1 34a_100000764474_100000210614 [0,1,0,0,0,1|1,0,0]=3 5304 B15R1.12 CCCCCCCOC1CCC(=O)CC1 7a_100000764474_100000210614 [0,1,0,0,0,1|1,0,0]=3 5305 B15R1.12 CCCCCCCOC1CCC(=O)NC1 34a_100000079199_100000210614 [0,1,0,0,0,1|1,0,0]=3 5306 B15R1.12 CCCCCCCOC1CNC(=O)NC1 34a_100000080929_100000210614 [0,1,0,0,0,1|2,0,0]=4 5307 B15R1.12 CCCCCCOCC1CCC(=O)CC1 34a_100000062911_100000210314 [0,1,0,0,0,1|1,0,0]=3 5308 B15R1.12 CCCCOCCNC1CCC(=O)NC1 2230a_100000748762_100000743108 [0,1,0,0,0,1|2,0,0]=4 5309 B15R1.12 CCCCOCCNC1CCC(=O)NC1 34a_100000748762_100000743108 [0,1,0,0,0,1|2,0,0]=4 5310 B15R1.12 CCCCOCCOC1CCC(=O)CC1 34a_100000764474_100000743108 [0,1,0,0,0,1|2,0,0]=4 5311 B15R1.12 CCCCOCCOC1CCC(=O)CC1 7a_100000764474_100000743108 [0,1,0,0,0,1|2,0,0]=4 5312 B15R1.12 CCCCOCCOC1CCC(=O)NC1 34a_100000079199_100000743108 [0,1,0,0,0,1|2,0,0]=4 5313 B15R1.12 CCCCOCOCC1CCC(=O)CC1 34a_100000062911_100011995733 [0,1,0,0,0,1|2,0,0]=4 5314 B15R1.12 CCCOCCOCC1CCC(=O)CC1 34a_100000062911_100011215938 [0,1,0,0,0,1|2,0,0]=4 5315 B15R1.12 CCOCCCOCC1CCC(=O)CC1 34a_100000062911_100012232248 [0,1,0,0,0,1|2,0,0]=4 5316 B15R1.12 COCCCCOCC1CCC(=O)CC1 34a_100000062911_100000755781 [0,1,0,0,0,1|2,0,0]=4 5317 B15R1.12 O=C1CCC(CC1)COCCCCCF 34a_100000062911_100000729378 [0,1,0,0,0,1|2,0,0]=4 5318 B15R1.12 O=C1CCC(CC1)COCCCCCO 34a_100000062911_100000746330 [0,1,0,0,0,1|2,0,0]=4 5319 B15R1.12 O=C1CCC(CC1)OCCCCCCF 34a_100000764474_100015922095 [0,1,0,0,0,1|2,0,0]=4 5320 B15R1.12 O=C1CCC(CC1)OCCCCCCF 7a_100000764474_100015922095 [0,1,0,0,0,1|2,0,0]=4 5321 B15R1.12 O=C1CCC(CC1)OCCCCCCO 34a_100000764474_100000766143 [0,1,0,0,0,1|2,0,0]=4 5322 B15R1.12 O=C1CCC(CC1)OCCCCCCO 7a_100000764474_100000766143 [0,1,0,0,0,1|2,0,0]=4 5323 B15R1.12 O=C1CCC(CN1)NCCCCCCF 2230a_100000748762_100015922095 [0,1,0,0,0,1|2,0,0]=4 5324 B15R1.12 O=C1CCC(CN1)NCCCCCCF 34a_100000748762_100015922095 [0,1,0,0,0,1|2,0,0]=4 5325 B15R1.12 O=C1CCC(CN1)NCCCCCCO 2230a_100000748762_100000766143 [0,1,0,0,0,1|2,0,0]=4 5326 B15R1.12 O=C1CCC(CN1)NCCCCCCO 34a_100000748762_100000766143 [0,1,0,0,0,1|2,0,0]=4 5327 B15R1.12 O=C1CCC(CN1)OCCCCCCF 34a_100000079199_100015922095 [0,1,0,0,0,1|2,0,0]=4 5328 B15R1.12 O=C1CCC(CN1)OCCCCCCO 34a_100000079199_100000766143 [0,1,0,0,0,1|2,0,0]=4 5329 B15R1.30 CCCCCCC(=O)C1CCC(=O)NC1 1458a_100000740907_100000210757 [0,1,0,0,0,1|1,0,1]=4 5330 B15R1.128 CCCCCC(C)NC1CCC(=O)NC1 2230a_100000748762_200011218191 [0,1,0,0,0,1|2,0,0]=4 5331 B15R1.128 CCCCCC(C)NC1CCC(=O)NC1 270004a_100000748762_100000211708 [0,1,0,0,0,1|2,0,0]=4 5332 B15R1.128 CCCCCC(C)NC1CCC(=O)NC1 34a_100000748762_200011218191 [0,1,0,0,0,1|2,0,0]=4 5333 B15R1.128 CCCCCC(C)OC1CCC(=O)CC1 34a_100000764474_200011218191 [0,1,0,0,0,1|2,0,0]=4 5334 B15R1.128 CCCCCC(C)OC1CCC(=O)CC1 7a_100000764474_200011218191 [0,1,0,0,0,1|2,0,0]=4 5335 B15R1.128 CCCCCC(C)OC1CCC(=O)NC1 34a_100000079199_200011218191 [0,1,0,0,0,1|2,0,0]=4 5336 B15R1.139 CCCCC(C)OCC1CCC(=O)CC1 34a_100000062911_200011215066 [0,1,0,0,0,1|2,0,0]=4 5337 B15R1.871 CC(C)CCCCNC1CCC(=O)NC1 2230a_100000748762_100011216152 [0,1,0,0,0,1|2,0,0]=4 5338 B15R1.871 CC(C)CCCCNC1CCC(=O)NC1 34a_100000748762_100011216152 [0,1,0,0,0,1|2,0,0]=4 5339 B15R1.871 CC(C)CCCCOC1CCC(=O)CC1 34a_100000764474_100011216152 [0,1,0,0,0,1|2,0,0]=4 5340 B15R1.871 CC(C)CCCCOC1CCC(=O)CC1 7a_100000764474_100011216152 [0,1,0,0,0,1|2,0,0]=4 5341 B15R1.871 CC(C)CCCCOC1CCC(=O)NC1 34a_100000079199_100011216152 [0,1,0,0,0,1|2,0,0]=4 5342 B15R1.871 CC(C)CCCOCC1CCC(=O)CC1 34a_100000062911_100011214892 [0,1,0,0,0,1|2,0,0]=4 5343 B15R1.871 CC(O)CCCOCC1CCC(=O)CC1 34a_100000062911_200000718107 [0,1,0,0,0,1|2,0,0]=4 5344 B15R1.1176 CCCCCCNC1CCC(=O)NC1=O 2230a_100000210581_100000694648 [0,1,0,0,0,1|2,0,0]=4 5345 B15R1.1176 CCCCCCNC1CCC(=O)NC1=O 2230a_100000691121_100000210314 [0,1,0,0,0,1|2,0,0]=4 5346 B15R1.1176 CCCCCCNC1CCC(=O)NC1=O 34a_100000691121_100000210314 [0,1,0,0,0,1|2,0,0]=4 5347 B15R1.1176 CCCCCCOC1CCC(=O)NC1=O 7a_100000210259_100000694648 [0,1,0,0,0,1|2,0,0]=4 5348 B15R1.1176 CCCCCCSC1CCC(=O)NC1=O 62a_100000210314_100000694648 [0,1,0,0,0,1|2,0,0]=4 5349 B15R1.1176 CCCCCCSC1CCC(=O)NC1=O 62a_100000694648_100000210757 [0,1,0,0,0,1|2,0,0]=4 5350 B15R1.12032 CCCCCCNC1CCC(=O)N(C1)C 2230a_100011935005_100000210314 [0,1,0,0,0,1|2,0,0]=4 5351 B15R1.12032 CCCCCCNC1CCC(=O)N(C1)C 34a_100011935005_100000210314 [0,1,0,0,0,1|2,0,0]=4 5352 B15R1.44677 CCCCCCOC1(CCC(=O)CC1)C 34a_100012184276_100000210314 [0,1,0,0,0,1|2,0,0]=4 5353 B15R1.44677 CCCCCCOC1(CCC(=O)CC1)C 7a_100012184276_100000210314 [0,1,0,0,0,1|2,0,0]=4 5354 B15R1.22 CCCCCCCN1CCNC(=O)C1C 2230a_100000750721_100000210681 [0,1,0,0,0,1|2,0,0]=4 5355 B15R1.22 CCCCCCCN1CCNC(=O)C1C 269982a_100000750721_100000210681 [0,1,0,0,0,1|2,0,0]=4 5356 B15R1.22 CCCCCCCN1CCNC(=O)C1C 34a_100000750721_100000210614 [0,1,0,0,0,1|2,0,0]=4 5357 B15R1.22 CCCCCNCC1CCCC(=O)N1C 2230a_200010383782_100000210326 [0,1,0,0,0,1|2,0,0]=4 5358 B15R1.22 CCCCCNCC1CCCC(=O)N1C 34a_200010383782_100000718602 [0,1,0,0,0,1|2,0,0]=4 5359 B15R1.31 CCCCCCC(=O)C1CCNC(=O)C1 1458a_100000132800_100000210757 [0,1,0,0,0,1|1,0,1]=4 5360 B15R1.31 CCCCCCC(=O)C1CSCC(=O)N1 1458a_100000045068_100000210757 [0,1,0,0,0,1|1,0,1]=4 5361 B15R1.31 CCCCCCC(=O)[C@H]1CCCC(=O)N1 1458a_100000705292_100000210757 [0,1,0,0,0,1|1,0,1]=4 5362 B15R1.31 CCCCCCC(C)N1CCNC(=O)C1 2230a_100000184651_100011215978 [0,1,0,0,0,1|2,0,0]=4 5363 B15R1.31 CCCCCCC(C)N1CCNC(=O)C1 270004a_100000184651_100000210826 [0,1,0,0,0,1|2,0,0]=4 5364 B15R1.31 CCCCCCC(C)N1CCOC(=O)C1 2230a_100000131268_100011215978 [0,1,0,0,0,1|2,0,0]=4 5365 B15R1.31 CCCCCCC(C)N1CCOC(=O)C1 270004a_100000131268_100000210826 [0,1,0,0,0,1|2,0,0]=4 5366 B15R1.106 CCCCCCCCN1CCNC(=O)C1 2230a_100000184651_100000210759 [0,1,0,0,0,1|2,0,0]=4 5367 B15R1.106 CCCCCCCCN1CCOC(=O)C1 2230a_100000131268_100000210759 [0,1,0,0,0,1|2,0,0]=4 5368 B15R1.106 CCCCCCCNC1CCNC(=O)C1 2230a_100016994916_100000210681 [0,1,0,0,0,1|1,0,0]=3 5369 B15R1.106 CCCCCCCNC1CCNC(=O)C1 34a_100016994916_100000210614 [0,1,0,0,0,1|1,0,0]=3 5370 B15R1.106 CCCCCCCOC1C=C(CCC1)C 34a_100011218613_100000210614 [0,1,0,0,0,1|2,0,0]=4 5371 B15R1.106 CCCCCCCOC1CCCC(=O)C1 34a_100012613340_100000210614 [0,1,0,0,0,1|1,0,0]=3 5372 B15R1.106 CCCCCCCO[C@@H]1CCNC(=O)C1 34a_100015189427_100000210614 [0,1,0,0,0,1|1,0,0]=3 5373 B15R1.106 CCCCCCOCC1CCCC(=O)N1 34a_200000102386_100000210314 [0,1,0,0,0,1|1,0,0]=3 5374 B15R1.106 CCCCCCOCC1CCNC(=O)C1 34a_100009886756_100000210314 [0,1,0,0,0,1|1,0,0]=3 5375 B15R1.106 CCCCCCOCC1COCC(=O)N1 34a_200000101122_100000210314 [0,1,0,0,0,1|1,0,0]=3 5376 B15R1.106 CCCCNCCCN1CCNC(=O)C1 2230a_100000757908_100000210211 [0,1,0,0,0,1|2,0,0]=4 5377 B15R1.106 CCCCOCCNC1CCNC(=O)C1 2230a_100016994916_100000743108 [0,1,0,0,0,1|2,0,0]=4 5378 B15R1.106 CCCCOCCNC1CCNC(=O)C1 34a_100016994916_100000743108 [0,1,0,0,0,1|2,0,0]=4 5379 B15R1.106 CCCCOCCOC1CCCC(=O)C1 34a_100012613340_100000743108 [0,1,0,0,0,1|2,0,0]=4 5380 B15R1.106 CCCCOCCO[C@@H]1CCNC(=O)C1 34a_100015189427_100000743108 [0,1,0,0,0,1|2,0,0]=4 5381 B15R1.106 CCCCOCOCC1CCCC(=O)N1 34a_200000102386_100011995733 [0,1,0,0,0,1|2,0,0]=4 5382 B15R1.106 CCCCOCOCC1CCNC(=O)C1 34a_100009886756_100011995733 [0,1,0,0,0,1|2,0,0]=4 5383 B15R1.106 CCCCOCOCC1COCC(=O)N1 34a_200000101122_100011995733 [0,1,0,0,0,1|2,0,0]=4 5384 B15R1.106 CCCOCCOCC1CCCC(=O)N1 34a_200000102386_100011215938 [0,1,0,0,0,1|2,0,0]=4 5385 B15R1.106 CCCOCCOCC1CCNC(=O)C1 34a_100009886756_100011215938 [0,1,0,0,0,1|2,0,0]=4 5386 B15R1.106 CCCOCCOCC1COCC(=O)N1 34a_200000101122_100011215938 [0,1,0,0,0,1|2,0,0]=4 5387 B15R1.106 CCOCCCOCC1CCCC(=O)N1 34a_200000102386_100012232248 [0,1,0,0,0,1|2,0,0]=4 5388 B15R1.106 CCOCCCOCC1CCNC(=O)C1 34a_100009886756_100012232248 [0,1,0,0,0,1|2,0,0]=4 5389 B15R1.106 CCOCCCOCC1COCC(=O)N1 34a_200000101122_100012232248 [0,1,0,0,0,1|2,0,0]=4 5390 B15R1.106 COCCCCCCN1CCNC(=O)C1 2230a_100000184651_100011998445 [0,1,0,0,0,1|2,0,0]=4 5391 B15R1.106 COCCCCCCN1CCOC(=O)C1 2230a_100000131268_100011998445 [0,1,0,0,0,1|2,0,0]=4 5392 B15R1.106 COCCCCOCC1CCCC(=O)N1 34a_200000102386_100000755781 [0,1,0,0,0,1|2,0,0]=4 5393 B15R1.106 COCCCCOCC1CCNC(=O)C1 34a_100009886756_100000755781 [0,1,0,0,0,1|2,0,0]=4 5394 B15R1.106 COCCCCOCC1COCC(=O)N1 34a_200000101122_100000755781 [0,1,0,0,0,1|2,0,0]=4 5395 B15R1.106 O=C1CC(CCN1)COCCCCCF 34a_100009886756_100000729378 [0,1,0,0,0,1|2,0,0]=4 5396 B15R1.106 O=C1CC(CCN1)COCCCCCO 34a_100009886756_100000746330 [0,1,0,0,0,1|2,0,0]=4 5397 B15R1.106 O=C1CC(CCN1)NCCCCCCF 2230a_100016994916_100015922095 [0,1,0,0,0,1|2,0,0]=4 5398 B15R1.106 O=C1CC(CCN1)NCCCCCCF 34a_100016994916_100015922095 [0,1,0,0,0,1|2,0,0]=4 5399 B15R1.106 O=C1CC(CCN1)NCCCCCCO 2230a_100016994916_100000766143 [0,1,0,0,0,1|2,0,0]=4 5400 B15R1.106 O=C1CC(CCN1)NCCCCCCO 34a_100016994916_100000766143 [0,1,0,0,0,1|2,0,0]=4 5401 B15R1.106 O=C1CCCC(C1)OCCCCCCF 34a_100012613340_100015922095 [0,1,0,0,0,1|2,0,0]=4 5402 B15R1.106 O=C1CCCC(C1)OCCCCCCO 34a_100012613340_100000766143 [0,1,0,0,0,1|2,0,0]=4 5403 B15R1.106 O=C1CCCC(N1)COCCCCCF 34a_200000102386_100000729378 [0,1,0,0,0,1|2,0,0]=4 5404 B15R1.106 O=C1CCCC(N1)COCCCCCO 34a_200000102386_100000746330 [0,1,0,0,0,1|2,0,0]=4 5405 B15R1.106 O=C1CN(CCN1)CCCCCCCO 2230a_100000184651_100000760002 [0,1,0,0,0,1|2,0,0]=4 5406 B15R1.106 O=C1CN(CCO1)CCCCCCCO 2230a_100000131268_100000760002 [0,1,0,0,0,1|2,0,0]=4 5407 B15R1.106 O=C1COCC(N1)COCCCCCF 34a_200000101122_100000729378 [0,1,0,0,0,1|2,0,0]=4 5408 B15R1.106 O=C1COCC(N1)COCCCCCO 34a_200000101122_100000746330 [0,1,0,0,0,1|2,0,0]=4 5409 B15R1.106 O=C1C[C@@H](CCN1)OCCCCCCF 34a_100015189427_100015922095 [0,1,0,0,0,1|2,0,0]=4 5410 B15R1.106 O=C1C[C@@H](CCN1)OCCCCCCO 34a_100015189427_100000766143 [0,1,0,0,0,1|2,0,0]=4 5411 B15R1.119 CC(C)CCCCCN1CCNC(=O)C1 2230a_100000184651_100000210682 [0,1,0,0,0,1|2,0,0]=4 5412 B15R1.119 CC(C)CCCCCN1CCOC(=O)C1 2230a_100000131268_100000210682 [0,1,0,0,0,1|2,0,0]=4 5413 B15R1.119 CC(C)CCCCNC1CCNC(=O)C1 2230a_100016994916_100011216152 [0,1,0,0,0,1|2,0,0]=4 5414 B15R1.119 CC(C)CCCCNC1CCNC(=O)C1 34a_100016994916_100011216152 [0,1,0,0,0,1|2,0,0]=4 5415 B15R1.119 CC(C)CCCCOC1CCCC(=O)C1 34a_100012613340_100011216152 [0,1,0,0,0,1|2,0,0]=4 5416 B15R1.119 CC(C)CCCCO[C@@H]1CCNC(=O)C1 34a_100015189427_100011216152 [0,1,0,0,0,1|2,0,0]=4 5417 B15R1.119 CC(C)CCCOCC1CCCC(=O)N1 34a_200000102386_100011214892 [0,1,0,0,0,1|2,0,0]=4 5418 B15R1.119 CC(C)CCCOCC1CCNC(=O)C1 34a_100009886756_100011214892 [0,1,0,0,0,1|2,0,0]=4 5419 B15R1.119 CC(C)CCCOCC1COCC(=O)N1 34a_200000101122_100011214892 [0,1,0,0,0,1|2,0,0]=4 5420 B15R1.119 CC(O)CCCOCC1CCCC(=O)N1 34a_200000102386_200000718107 [0,1,0,0,0,1|2,0,0]=4 5421 B15R1.119 CC(O)CCCOCC1CCNC(=O)C1 34a_100009886756_200000718107 [0,1,0,0,0,1|2,0,0]=4 5422 B15R1.119 CC(O)CCCOCC1COCC(=O)N1 34a_200000101122_200000718107 [0,1,0,0,0,1|2,0,0]=4 5423 B15R1.127 CCCCC(C)OCC1CCCC(=O)N1 34a_200000102386_200011215066 [0,1,0,0,0,1|2,0,0]=4 5424 B15R1.127 CCCCC(C)OCC1CCNC(=O)C1 34a_100009886756_200011215066 [0,1,0,0,0,1|2,0,0]=4 5425 B15R1.127 CCCCC(C)OCC1COCC(=O)N1 34a_200000101122_200011215066 [0,1,0,0,0,1|2,0,0]=4 5426 B15R1.129 CCCCCC(C)NC1CCNC(=O)C1 2230a_100016994916_200011218191 [0,1,0,0,0,1|2,0,0]=4 5427 B15R1.129 CCCCCC(C)NC1CCNC(=O)C1 34a_100016994916_200011218191 [0,1,0,0,0,1|2,0,0]=4 5428 B15R1.129 CCCCCC(C)OC1CCCC(=O)C1 34a_100012613340_200011218191 [0,1,0,0,0,1|2,0,0]=4 5429 B15R1.129 CCCCCC(C)O[C@@H]1CCNC(=O)C1 34a_100015189427_200011218191 [0,1,0,0,0,1|2,0,0]=4 5430 B15R1.633 CCCC(C)COCC1CCCC(=O)N1 34a_200000102386_100011216630 [0,1,0,0,0,1|2,0,0]=4 5431 B15R1.633 CCCC(C)COCC1CCNC(=O)C1 34a_100009886756_100011216630 [0,1,0,0,0,1|2,0,0]=4 5432 B15R1.633 CCCC(C)COCC1COCC(=O)N1 34a_200000101122_100011216630 [0,1,0,0,0,1|2,0,0]=4 5433 B15R1.92 CCCCCC(C)C(=O)C1CCC(=O)N1 1458a_100000210400_200011218191 [0,2,0,0,0,0|1,0,1]=4 5434 B15R1.92 CCCCCC(C)C(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_200011218191 [0,2,0,0,0,0|0,0,1]=3 5435 B15R1.92 CCCCCN(C)C(=O)[C@@H]1CCC(=O)O1 11a_100000223495_100009814974 [0,2,0,0,0,0|1,0,1]=4 5436 B15R1.92 CCCCCN(C)C(=O)[C@@H]1CCC(=O)O1 1626a_100000223495_100009814974 [0,2,0,0,0,0|1,0,1]=4 5437 B15R1.92 CCCCCN(C)C(=O)[C@@H]1CCC(=O)O1 240690a_100000223495_100009814974 [0,2,0,0,0,0|1,0,1]=4 5438 B15R1.92 CCCCCN(C)C(=O)[C@@H]1CCC(=O)O1 527a_100000223495_100009814974 [0,2,0,0,0,0|1,0,1]=4 5439 B15R1.114 CCCCC(C)NC(=O)[C@@H]1CCC(=O)O1 11a_100000126638_100009814974 [0,2,0,0,0,0|1,0,1]=4 5440 B15R1.114 CCCCC(C)NC(=O)[C@@H]1CCC(=O)O1 1626a_100000126638_100009814974 [0,2,0,0,0,0|1,0,1]=4 5441 B15R1.114 CCCCC(C)NC(=O)[C@@H]1CCC(=O)O1 240690a_100000126638_100009814974 [0,2,0,0,0,0|1,0,1]=4 5442 B15R1.114 CCCCC(C)NC(=O)[C@@H]1CCC(=O)O1 527a_100000126638_100009814974 [0,2,0,0,0,0|1,0,1]=4 5443 B15R1.137 C#CCCCCCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100012094781 [0,2,0,0,0,0|0,0,2]=4 5444 B15R1.137 C=CCCCCCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100000700193 [0,2,0,0,0,0|0,0,2]=4 5445 B15R1.137 CCCCCCCC(=O)C1CCC(=O)N1 1458a_100000210400_100000210614 [0,2,0,0,0,0|1,0,0]=3 5446 B15R1.137 CCCCCCCC(=O)C1CNC(=O)C1 1458a_100000747279_100000210614 [0,2,0,0,0,0|2,0,0]=4 5447 B15R1.137 CCCCCCCC(=O)C1CNC(=O)N1 1458a_100000033324_100000210614 [0,2,0,0,0,0|2,0,0]=4 5448 B15R1.137 CCCCCCCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100000210614 [0,2,0,0,0,0|0,0,0]=2 5449 B15R1.137 CCCCCCCC(=O)[C@@H]1CSC(=O)N1 1458a_100000735014_100000210614 [0,2,0,0,0,0|2,0,0]=4 5450 B15R1.137 CCCCCCNC(=O)C1CCC(=O)N1 240690a_100000210581_100000210400 [0,2,0,0,0,0|1,0,1]=4 5451 B15R1.137 CCCCCCNC(=O)[C@@H]1CCC(=O)O1 11a_100000210581_100009814974 [0,2,0,0,0,0|0,0,1]=3 5452 B15R1.137 CCCCCCNC(=O)[C@@H]1CCC(=O)O1 1626a_100000210581_100009814974 [0,2,0,0,0,0|0,0,1]=3 5453 B15R1.137 CCCCCCNC(=O)[C@@H]1CCC(=O)O1 240690a_100000210581_100009814974 [0,2,0,0,0,0|0,0,1]=3 5454 B15R1.137 CCCCCCNC(=O)[C@@H]1CCC(=O)O1 527a_100000210581_100009814974 [0,2,0,0,0,0|0,0,1]=3 5455 B15R1.137 CCCCCNNC(=O)[C@@H]1CCC(=O)O1 22a_100000694160_100009814974 [0,2,0,0,0,0|1,0,1]=4 5456 B15R1.137 CCCCOCCC(=O)C1CCC(=O)N1 1458a_100000210400_100000743108 [0,2,0,0,0,0|1,0,1]=4 5457 B15R1.137 CCCCOCCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100000743108 [0,2,0,0,0,0|0,0,1]=3 5458 B15R1.137 CCCOCCNC(=O)[C@@H]1CCC(=O)O1 1626a_100161115042_100009814974 [0,2,0,0,0,0|1,0,1]=4 5459 B15R1.137 CCCOCCNC(=O)[C@@H]1CCC(=O)O1 240690a_100161115042_100009814974 [0,2,0,0,0,0|1,0,1]=4 5460 B15R1.137 CCCOCCNC(=O)[C@@H]1CCC(=O)O1 527a_100161115042_100009814974 [0,2,0,0,0,0|1,0,1]=4 5461 B15R1.137 CCCSCCNC(=O)[C@@H]1CCC(=O)O1 11a_100020603323_100009814974 [0,2,0,0,0,0|1,0,1]=4 5462 B15R1.137 CCCSCCNC(=O)[C@@H]1CCC(=O)O1 240690a_100020603323_100009814974 [0,2,0,0,0,0|1,0,1]=4 5463 B15R1.137 CCCSCCNC(=O)[C@@H]1CCC(=O)O1 527a_100020603323_100009814974 [0,2,0,0,0,0|1,0,1]=4 5464 B15R1.137 CCOCCCNC(=O)[C@@H]1CCC(=O)O1 11a_100000210961_100009814974 [0,2,0,0,0,0|1,0,1]=4 5465 B15R1.137 CCOCCCNC(=O)[C@@H]1CCC(=O)O1 1626a_100000210961_100009814974 [0,2,0,0,0,0|1,0,1]=4 5466 B15R1.137 CCOCCCNC(=O)[C@@H]1CCC(=O)O1 240690a_100000210961_100009814974 [0,2,0,0,0,0|1,0,1]=4 5467 B15R1.137 CCOCCCNC(=O)[C@@H]1CCC(=O)O1 527a_100000210961_100009814974 [0,2,0,0,0,0|1,0,1]=4 5468 B15R1.137 COCCOCCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100000695917 [0,2,0,0,0,0|1,0,1]=4 5469 B15R1.137 N#CCCCCCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100009813376 [0,2,0,0,0,0|0,0,2]=4 5470 B15R1.137 O=C1CCC(N1)C(=O)CCCCCCF 1458a_100000210400_100015922095 [0,2,0,0,0,0|1,0,1]=4 5471 B15R1.137 O=C1CCC(N1)C(=O)CCCCCCO 1458a_100000210400_100000766143 [0,2,0,0,0,0|1,0,1]=4 5472 B15R1.137 O=C1CC[C@H](O1)C(=O)CCCCCCF 1458a_100009814974_100015922095 [0,2,0,0,0,0|0,0,1]=3 5473 B15R1.137 O=C1CC[C@H](O1)C(=O)CCCCCCO 1458a_100009814974_100000766143 [0,2,0,0,0,0|0,0,1]=3 5474 B15R1.137 O=C1CC[C@H](O1)C(=O)NCCCCCO 240690a_100000762737_100009814974 [0,2,0,0,0,0|1,0,1]=4 5475 B15R1.958 CCC(C)CCNC(=O)[C@@H]1CCC(=O)O1 11a_100020591266_100009814974 [0,2,0,0,0,0|1,0,1]=4 5476 B15R1.958 CCC(C)CCNC(=O)[C@@H]1CCC(=O)O1 1626a_100020591266_100009814974 [0,2,0,0,0,0|1,0,1]=4 5477 B15R1.958 CCC(C)CCNC(=O)[C@@H]1CCC(=O)O1 240690a_100020591266_100009814974 [0,2,0,0,0,0|1,0,1]=4 5478 B15R1.958 CCC(C)CCNC(=O)[C@@H]1CCC(=O)O1 527a_100020591266_100009814974 [0,2,0,0,0,0|1,0,1]=4 5479 B15R1.958 CCN(C)CCCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100015186262 [0,2,0,0,0,0|1,0,1]=4 5480 B15R1.5483 CC(=O)CCCCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100000735457 [0,2,0,0,0,0|0,0,2]=4 5481 B15R1.5483 CC(C)CCCCC(=O)C1CCC(=O)N1 1458a_100000210400_100011216152 [0,2,0,0,0,0|1,0,1]=4 5482 B15R1.5483 CC(C)CCCCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100011216152 [0,2,0,0,0,0|0,0,1]=3 5483 B15R1.5483 CC(C)CCCNC(=O)[C@@H]1CCC(=O)O1 11a_200000737386_100009814974 [0,2,0,0,0,0|1,0,1]=4 5484 B15R1.5483 CC(C)CCCNC(=O)[C@@H]1CCC(=O)O1 1626a_200000737386_100009814974 [0,2,0,0,0,0|1,0,1]=4 5485 B15R1.5483 CC(C)CCCNC(=O)[C@@H]1CCC(=O)O1 240690a_200000737386_100009814974 [0,2,0,0,0,0|1,0,1]=4 5486 B15R1.5483 CC(C)CCCNC(=O)[C@@H]1CCC(=O)O1 527a_200000737386_100009814974 [0,2,0,0,0,0|1,0,1]=4 5487 B15R1.17015 CCCCCCC(=O)[C@H]1CCC(=O)N1C 1458a_100010979499_100000210757 [0,2,0,0,0,0|1,0,1]=4 5488 B15R1.34 C#CCCCCCCOC1CCC(=O)C1 34a_100012614533_100012276617 [0,2,0,0,0,0|1,0,1]=4 5489 B15R1.34 C#CCCCCCCOC1COC(=O)O1 34a_100011217361_100000032252 [0,2,0,0,0,0|1,0,1]=4 5490 B15R1.34 C#CCCCCCCSC1COC(=O)O1 62a_100012276617_100000032252 [0,2,0,0,0,0|1,0,1]=4 5491 B15R1.34 C#CCCCCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100012094781 [0,2,0,0,0,0|1,0,1]=4 5492 B15R1.34 C#CCCCCCNC[C@H]1CCC(=O)N1 34a_100015423886_100012094781 [0,2,0,0,0,0|1,0,1]=4 5493 B15R1.34 C#CCCCCCOCC1CCC(=O)N1 34a_100000737831_100012094781 [0,2,0,0,0,0|1,0,1]=4 5494 B15R1.34 C#CCCCCCOCC1CNC(=O)O1 34a_100000766912_100000181169 [0,2,0,0,0,0|1,0,1]=4 5495 B15R1.34 C#CCCCCCOCC1CNC(=O)O1 34a_100011315639_100012094781 [0,2,0,0,0,0|1,0,1]=4 5496 B15R1.34 C#CCCCCCOCC1CNC(=O)O1 7a_100000766912_100000181169 [0,2,0,0,0,0|1,0,1]=4 5497 B15R1.34 C#CCCCCCOCC1COC(=O)O1 34a_100000766912_100000073702 [0,2,0,0,0,0|1,0,1]=4 5498 B15R1.34 C#CCCCCCOC[C@@H]1CCC(=O)N1 7a_100000766912_100015189358 [0,2,0,0,0,0|1,0,1]=4 5499 B15R1.34 C#CCCCCCSCC1CNC(=O)O1 62a_100000181169_100012094781 [0,2,0,0,0,0|1,0,1]=4 5500 B15R1.34 C#CCCCCCSCC1CNC(=O)O1 62a_100012094781_100000181169 [0,2,0,0,0,0|1,0,1]=4 5501 B15R1.34 C#CCCCCCSCC1COC(=O)O1 62a_100000073702_100012094781 [0,2,0,0,0,0|1,0,1]=4 5502 B15R1.34 C#CCCCCCSCC1COC(=O)O1 62a_100012094781_100000073702 [0,2,0,0,0,0|1,0,1]=4 5503 B15R1.34 C#CCCCCCSC[C@@H]1CCC(=O)N1 62a_100012094781_100015189358 [0,2,0,0,0,0|1,0,1]=4 5504 B15R1.34 C#CCCCCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100012094781 [0,2,0,0,0,0|1,0,1]=4 5505 B15R1.34 C=CCCCCCCOC1CCC(=O)C1 34a_100012614533_100011215473 [0,2,0,0,0,0|1,0,1]=4 5506 B15R1.34 C=CCCCCCCOC1COC(=O)O1 34a_200011216477_100000032252 [0,2,0,0,0,0|1,0,1]=4 5507 B15R1.34 C=CCCCCCCSC1COC(=O)O1 62a_100011215473_100000032252 [0,2,0,0,0,0|1,0,1]=4 5508 B15R1.34 C=CCCCCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100000700193 [0,2,0,0,0,0|1,0,1]=4 5509 B15R1.34 C=CCCCCCNC[C@H]1CCC(=O)N1 34a_100015423886_100000700193 [0,2,0,0,0,0|1,0,1]=4 5510 B15R1.34 C=CCCCCCOCC1CCC(=O)N1 34a_100000737831_100000700193 [0,2,0,0,0,0|1,0,1]=4 5511 B15R1.34 C=CCCCCCOCC1CNC(=O)O1 34a_100011216702_100000181169 [0,2,0,0,0,0|1,0,1]=4 5512 B15R1.34 C=CCCCCCOCC1CNC(=O)O1 34a_100011315639_100000700193 [0,2,0,0,0,0|1,0,1]=4 5513 B15R1.34 C=CCCCCCOCC1CNC(=O)O1 7a_100011216702_100000181169 [0,2,0,0,0,0|1,0,1]=4 5514 B15R1.34 C=CCCCCCOCC1COC(=O)O1 34a_100011216702_100000073702 [0,2,0,0,0,0|1,0,1]=4 5515 B15R1.34 C=CCCCCCOC[C@@H]1CCC(=O)N1 7a_100011216702_100015189358 [0,2,0,0,0,0|1,0,1]=4 5516 B15R1.34 C=CCCCCCSCC1CNC(=O)O1 62a_100000181169_100000700193 [0,2,0,0,0,0|1,0,1]=4 5517 B15R1.34 C=CCCCCCSCC1CNC(=O)O1 62a_100000700193_100000181169 [0,2,0,0,0,0|1,0,1]=4 5518 B15R1.34 C=CCCCCCSCC1COC(=O)O1 62a_100000073702_100000700193 [0,2,0,0,0,0|1,0,1]=4 5519 B15R1.34 C=CCCCCCSCC1COC(=O)O1 62a_100000700193_100000073702 [0,2,0,0,0,0|1,0,1]=4 5520 B15R1.34 C=CCCCCCSC[C@@H]1CCC(=O)N1 62a_100000700193_100015189358 [0,2,0,0,0,0|1,0,1]=4 5521 B15R1.34 C=CCCCCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000700193 [0,2,0,0,0,0|1,0,1]=4 5522 B15R1.34 CC/C=C/CCCOCC1CNC(=O)O1 34a_100016287902_100000181169 [0,2,0,0,0,0|1,0,1]=4 5523 B15R1.34 CC/C=C/CCCOCC1CNC(=O)O1 7a_100016287902_100000181169 [0,2,0,0,0,0|1,0,1]=4 5524 B15R1.34 CC/C=C/CCCOCC1COC(=O)O1 34a_100016287902_100000073702 [0,2,0,0,0,0|1,0,1]=4 5525 B15R1.34 CC/C=C/CCCOC[C@@H]1CCC(=O)N1 7a_100016287902_100015189358 [0,2,0,0,0,0|1,0,1]=4 5526 B15R1.34 CC/C=C\CCCCOC1COC(=O)O1 34a_100016287862_100000032252 [0,2,0,0,0,0|1,0,1]=4 5527 B15R1.34 CCCC#CCCOCC1CNC(=O)O1 34a_100000042726_100000181169 [0,2,0,0,0,0|1,0,1]=4 5528 B15R1.34 CCCC#CCCOCC1CNC(=O)O1 7a_100000042726_100000181169 [0,2,0,0,0,0|1,0,1]=4 5529 B15R1.34 CCCC#CCCOCC1COC(=O)O1 34a_100000042726_100000073702 [0,2,0,0,0,0|1,0,1]=4 5530 B15R1.34 CCCC#CCCOC[C@@H]1CCC(=O)N1 7a_100000042726_100015189358 [0,2,0,0,0,0|1,0,1]=4 5531 B15R1.34 CCCC/C=C/COCC1CNC(=O)O1 34a_200016272032_100000181169 [0,2,0,0,0,0|1,0,1]=4 5532 B15R1.34 CCCC/C=C/COCC1CNC(=O)O1 7a_200016272032_100000181169 [0,2,0,0,0,0|1,0,1]=4 5533 B15R1.34 CCCC/C=C/COCC1COC(=O)O1 34a_200016272032_100000073702 [0,2,0,0,0,0|1,0,1]=4 5534 B15R1.34 CCCC/C=C/COC[C@@H]1CCC(=O)N1 7a_200016272032_100015189358 [0,2,0,0,0,0|1,0,1]=4 5535 B15R1.34 CCCC/C=C\CCOC1COC(=O)O1 34a_200016286491_100000032252 [0,2,0,0,0,0|1,0,1]=4 5536 B15R1.34 CCCCC#CCCOC1COC(=O)O1 34a_100000037610_100000032252 [0,2,0,0,0,0|1,0,1]=4 5537 B15R1.34 CCCCC#CCOCC1CNC(=O)O1 34a_200000034558_100000181169 [0,2,0,0,0,0|1,0,1]=4 5538 B15R1.34 CCCCC#CCOCC1CNC(=O)O1 7a_200000034558_100000181169 [0,2,0,0,0,0|1,0,1]=4 5539 B15R1.34 CCCCC#CCOCC1COC(=O)O1 34a_200000034558_100000073702 [0,2,0,0,0,0|1,0,1]=4 5540 B15R1.34 CCCCC#CCOC[C@@H]1CCC(=O)N1 7a_200000034558_100015189358 [0,2,0,0,0,0|1,0,1]=4 5541 B15R1.34 CCCCC/C=C/COC1COC(=O)O1 34a_100016258190_100000032252 [0,2,0,0,0,0|1,0,1]=4 5542 B15R1.34 CCCCCC#CCOC1CCC(=O)C1 34a_100012614533_100009816472 [0,2,0,0,0,0|1,0,1]=4 5543 B15R1.34 CCCCCC#CCOC1COC(=O)O1 34a_200000033628_100000032252 [0,2,0,0,0,0|1,0,1]=4 5544 B15R1.34 CCCCCC#CCSC1COC(=O)O1 62a_100009816472_100000032252 [0,2,0,0,0,0|1,0,1]=4 5545 B15R1.34 CCCCCCCCNC1CNC(=O)C1 2230a_100000697751_100000210759 [0,2,0,0,0,0|2,0,0]=4 5546 B15R1.34 CCCCCCCCNC1COC(=O)O1 34a_100000229939_100000032252 [0,2,0,0,0,0|1,0,0]=3 5547 B15R1.34 CCCCCCCCOC1CCC(=O)C1 34a_100012614533_100000210759 [0,2,0,0,0,0|1,0,0]=3 5548 B15R1.34 CCCCCCCCOC1CNC(=O)C1 34a_100000690082_100000210759 [0,2,0,0,0,0|2,0,0]=4 5549 B15R1.34 CCCCCCCCOC1COC(=O)O1 34a_100000210232_100000032252 [0,2,0,0,0,0|1,0,0]=3 5550 B15R1.34 CCCCCCCCSC1COC(=O)O1 62a_100000210759_100000032252 [0,2,0,0,0,0|1,0,0]=3 5551 B15R1.34 CCCCCCCNCC1CNC(=O)C1 2230a_100016993742_100000210681 [0,2,0,0,0,0|2,0,0]=4 5552 B15R1.34 CCCCCCCNCC1CNC(=O)C1 34a_100016993742_100000210614 [0,2,0,0,0,0|2,0,0]=4 5553 B15R1.34 CCCCCCCNCC1CNC(=O)O1 2230a_100000229938_100000181169 [0,2,0,0,0,0|1,0,0]=3 5554 B15R1.34 CCCCCCCNC[C@@H]1CCC(=O)N1 2230a_100000229938_100015189358 [0,2,0,0,0,0|1,0,0]=3 5555 B15R1.34 CCCCCCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100000210681 [0,2,0,0,0,0|1,0,0]=3 5556 B15R1.34 CCCCCCCNC[C@H]1CCC(=O)N1 34a_100015423886_100000210614 [0,2,0,0,0,0|1,0,0]=3 5557 B15R1.34 CCCCCCCNC[C@H]1COC(=O)N1 2230a_100000229938_100015307671 [0,2,0,0,0,0|2,0,0]=4 5558 B15R1.34 CCCCCCCOCC1CCC(=O)N1 34a_100000737831_100000210614 [0,2,0,0,0,0|1,0,0]=3 5559 B15R1.34 CCCCCCCOCC1CNC(=O)C1 34a_100016041077_100000210614 [0,2,0,0,0,0|2,0,0]=4 5560 B15R1.34 CCCCCCCOCC1CNC(=O)O1 34a_100000210272_100000181169 [0,2,0,0,0,0|1,0,0]=3 5561 B15R1.34 CCCCCCCOCC1CNC(=O)O1 34a_100011315639_100000210614 [0,2,0,0,0,0|1,0,0]=3 5562 B15R1.34 CCCCCCCOCC1CNC(=O)O1 7a_100000210272_100000181169 [0,2,0,0,0,0|1,0,0]=3 5563 B15R1.34 CCCCCCCOCC1COC(=O)O1 34a_100000210272_100000073702 [0,2,0,0,0,0|1,0,0]=3 5564 B15R1.34 CCCCCCCOC[C@@H]1CCC(=O)N1 7a_100000210272_100015189358 [0,2,0,0,0,0|1,0,0]=3 5565 B15R1.34 CCCCCCCOC[C@H]1COC(=O)N1 34a_100000210272_100015307671 [0,2,0,0,0,0|2,0,0]=4 5566 B15R1.34 CCCCCCCOC[C@H]1COC(=O)N1 7a_100000210272_100015307671 [0,2,0,0,0,0|2,0,0]=4 5567 B15R1.34 CCCCCCCSCC1CNC(=O)O1 62a_100000181169_100000210316 [0,2,0,0,0,0|1,0,0]=3 5568 B15R1.34 CCCCCCCSCC1CNC(=O)O1 62a_100000210614_100000181169 [0,2,0,0,0,0|1,0,0]=3 5569 B15R1.34 CCCCCCCSCC1COC(=O)O1 62a_100000073702_100000210316 [0,2,0,0,0,0|1,0,0]=3 5570 B15R1.34 CCCCCCCSCC1COC(=O)O1 62a_100000210614_100000073702 [0,2,0,0,0,0|1,0,0]=3 5571 B15R1.34 CCCCCCCSC[C@@H]1CCC(=O)N1 62a_100000210614_100015189358 [0,2,0,0,0,0|1,0,0]=3 5572 B15R1.34 CCCCCCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000210316 [0,2,0,0,0,0|1,0,0]=3 5573 B15R1.34 CCCCCCCSC[C@H]1COC(=O)N1 62a_100000210614_100015307671 [0,2,0,0,0,0|2,0,0]=4 5574 B15R1.34 CCCCCCCSC[C@H]1COC(=O)N1 62a_100015307671_100000210316 [0,2,0,0,0,0|2,0,0]=4 5575 B15R1.34 CCCCCCOCCC1COS(=O)O1 7a_100000210259_100009840081 [0,2,0,0,0,0|2,0,0]=4 5576 B15R1.34 CCCCCCSCCC1COS(=O)O1 62a_100000210314_100009840081 [0,2,0,0,0,0|2,0,0]=4 5577 B15R1.34 CCCCCNCCOC1COC(=O)O1 34a_100000224656_100000032252 [0,2,0,0,0,0|1,0,0]=3 5578 B15R1.34 CCCCCOCCOC1COC(=O)O1 34a_100011215259_100000032252 [0,2,0,0,0,0|1,0,0]=3 5579 B15R1.34 CCCCOCCCNC1COC(=O)O1 34a_200000211371_100000032252 [0,2,0,0,0,0|1,0,0]=3 5580 B15R1.34 CCCCOCCCOC1COC(=O)O1 34a_200011215613_100000032252 [0,2,0,0,0,0|1,0,0]=3 5581 B15R1.34 CCCCOCCNCC1CNC(=O)C1 2230a_100016993742_100000743108 [0,2,0,0,0,0|2,0,0]=4 5582 B15R1.34 CCCCOCCNCC1CNC(=O)C1 34a_100016993742_100000743108 [0,2,0,0,0,0|2,0,0]=4 5583 B15R1.34 CCCCOCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100000743108 [0,2,0,0,0,0|1,0,0]=3 5584 B15R1.34 CCCCOCCNC[C@H]1CCC(=O)N1 34a_100015423886_100000743108 [0,2,0,0,0,0|1,0,0]=3 5585 B15R1.34 CCCCOCCOCC1CCC(=O)N1 34a_100000737831_100000743108 [0,2,0,0,0,0|1,0,0]=3 5586 B15R1.34 CCCCOCCOCC1CNC(=O)C1 34a_100016041077_100000743108 [0,2,0,0,0,0|2,0,0]=4 5587 B15R1.34 CCCCOCCOCC1CNC(=O)O1 34a_100000210238_100000181169 [0,2,0,0,0,0|1,0,0]=3 5588 B15R1.34 CCCCOCCOCC1CNC(=O)O1 34a_100011315639_100000743108 [0,2,0,0,0,0|1,0,0]=3 5589 B15R1.34 CCCCOCCOCC1CNC(=O)O1 7a_100000210238_100000181169 [0,2,0,0,0,0|1,0,0]=3 5590 B15R1.34 CCCCOCCOCC1COC(=O)O1 34a_100000210238_100000073702 [0,2,0,0,0,0|1,0,0]=3 5591 B15R1.34 CCCCOCCOC[C@@H]1CCC(=O)N1 7a_100000210238_100015189358 [0,2,0,0,0,0|1,0,0]=3 5592 B15R1.34 CCCCOCCOC[C@H]1COC(=O)N1 34a_100000210238_100015307671 [0,2,0,0,0,0|2,0,0]=4 5593 B15R1.34 CCCCOCCOC[C@H]1COC(=O)N1 7a_100000210238_100015307671 [0,2,0,0,0,0|2,0,0]=4 5594 B15R1.34 CCCCOCCSCC1CNC(=O)O1 62a_100000181169_100000743108 [0,2,0,0,0,0|1,0,0]=3 5595 B15R1.34 CCCCOCCSCC1CNC(=O)O1 62a_100000743108_100000181169 [0,2,0,0,0,0|1,0,0]=3 5596 B15R1.34 CCCCOCCSCC1COC(=O)O1 62a_100000073702_100000743108 [0,2,0,0,0,0|1,0,0]=3 5597 B15R1.34 CCCCOCCSCC1COC(=O)O1 62a_100000743108_100000073702 [0,2,0,0,0,0|1,0,0]=3 5598 B15R1.34 CCCCOCCSC[C@@H]1CCC(=O)N1 62a_100000743108_100015189358 [0,2,0,0,0,0|1,0,0]=3 5599 B15R1.34 CCCCOCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000743108 [0,2,0,0,0,0|1,0,0]=3 5600 B15R1.34 CCCCOCCSC[C@H]1COC(=O)N1 62a_100000743108_100015307671 [0,2,0,0,0,0|2,0,0]=4 5601 B15R1.34 CCCCOCCSC[C@H]1COC(=O)N1 62a_100015307671_100000743108 [0,2,0,0,0,0|2,0,0]=4 5602 B15R1.34 CCCCOCSCCC1COS(=O)O1 62a_100011995733_100009840081 [0,2,0,0,0,0|2,0,0]=4 5603 B15R1.34 CCCCSCCNCC1CNC(=O)O1 2230a_100025743550_100000181169 [0,2,0,0,0,0|1,0,0]=3 5604 B15R1.34 CCCCSCCNC[C@@H]1CCC(=O)N1 2230a_100025743550_100015189358 [0,2,0,0,0,0|1,0,0]=3 5605 B15R1.34 CCCCSCCNC[C@H]1COC(=O)N1 2230a_100025743550_100015307671 [0,2,0,0,0,0|2,0,0]=4 5606 B15R1.34 CCCCSCCOCC1CNC(=O)O1 34a_200000230436_100000181169 [0,2,0,0,0,0|1,0,0]=3 5607 B15R1.34 CCCCSCCOCC1CNC(=O)O1 7a_200000230436_100000181169 [0,2,0,0,0,0|1,0,0]=3 5608 B15R1.34 CCCCSCCOCC1COC(=O)O1 34a_200000230436_100000073702 [0,2,0,0,0,0|1,0,0]=3 5609 B15R1.34 CCCCSCCOC[C@@H]1CCC(=O)N1 7a_200000230436_100015189358 [0,2,0,0,0,0|1,0,0]=3 5610 B15R1.34 CCCCSCCOC[C@H]1COC(=O)N1 34a_200000230436_100015307671 [0,2,0,0,0,0|2,0,0]=4 5611 B15R1.34 CCCCSCCOC[C@H]1COC(=O)N1 7a_200000230436_100015307671 [0,2,0,0,0,0|2,0,0]=4 5612 B15R1.34 CCCOCCCNCC1CNC(=O)O1 2230a_100011217757_100000181169 [0,2,0,0,0,0|1,0,0]=3 5613 B15R1.34 CCCOCCCNCC1CNC(=O)O1 34a_100011217757_100000181169 [0,2,0,0,0,0|1,0,0]=3 5614 B15R1.34 CCCOCCCNCC1COC(=O)O1 34a_100011217757_100000073702 [0,2,0,0,0,0|1,0,0]=3 5615 B15R1.34 CCCOCCCNC[C@@H]1CCC(=O)N1 2230a_100011217757_100015189358 [0,2,0,0,0,0|1,0,0]=3 5616 B15R1.34 CCCOCCCNC[C@H]1COC(=O)N1 2230a_100011217757_100015307671 [0,2,0,0,0,0|2,0,0]=4 5617 B15R1.34 CCCOCCCNC[C@H]1COC(=O)N1 34a_100011217757_100015307671 [0,2,0,0,0,0|2,0,0]=4 5618 B15R1.34 CCCOCCOCCC1COS(=O)O1 7a_100000752267_100009840081 [0,2,0,0,0,0|2,0,0]=4 5619 B15R1.34 CCCOCCSCCC1COS(=O)O1 62a_100011215938_100009840081 [0,2,0,0,0,0|2,0,0]=4 5620 B15R1.34 CCCSCCOCCC1COS(=O)O1 7a_200000230433_100009840081 [0,2,0,0,0,0|2,0,0]=4 5621 B15R1.34 CCOCCCOCCC1COS(=O)O1 7a_100000757476_100009840081 [0,2,0,0,0,0|2,0,0]=4 5622 B15R1.34 CCOCCCSCCC1COS(=O)O1 62a_100012232248_100009840081 [0,2,0,0,0,0|2,0,0]=4 5623 B15R1.34 CCOCCOCCNC1COC(=O)O1 34a_100102712874_100000032252 [0,2,0,0,0,0|2,0,0]=4 5624 B15R1.34 CCOCCOCCOC1CCC(=O)C1 34a_100012614533_100011211534 [0,2,0,0,0,0|2,0,0]=4 5625 B15R1.34 CCOCCOCCOC1COC(=O)O1 34a_100000210240_100000032252 [0,2,0,0,0,0|2,0,0]=4 5626 B15R1.34 CCOCCOCCSC1COC(=O)O1 62a_100011211534_100000032252 [0,2,0,0,0,0|2,0,0]=4 5627 B15R1.34 CCSCCCOCCC1COS(=O)O1 7a_100011216438_100009840081 [0,2,0,0,0,0|2,0,0]=4 5628 B15R1.34 CNCCCCCOCC1CNC(=O)O1 34a_100000722520_100000181169 [0,2,0,0,0,0|1,0,0]=3 5629 B15R1.34 CNCCCCCOCC1COC(=O)O1 34a_100000722520_100000073702 [0,2,0,0,0,0|1,0,0]=3 5630 B15R1.34 CNCCCCCOC[C@H]1COC(=O)N1 34a_100000722520_100015307671 [0,2,0,0,0,0|2,0,0]=4 5631 B15R1.34 CNCCOCCOCC1CNC(=O)O1 34a_100000228057_100000181169 [0,2,0,0,0,0|2,0,0]=4 5632 B15R1.34 CNCCOCCOCC1COC(=O)O1 34a_100000228057_100000073702 [0,2,0,0,0,0|2,0,0]=4 5633 B15R1.34 COCCCCCCNC1CNC(=O)C1 2230a_100000697751_100011998445 [0,2,0,0,0,0|2,0,0]=4 5634 B15R1.34 COCCCCCCOC1CCC(=O)C1 34a_100012614533_100011998445 [0,2,0,0,0,0|1,0,0]=3 5635 B15R1.34 COCCCCCCOC1CNC(=O)C1 34a_100000690082_100011998445 [0,2,0,0,0,0|2,0,0]=4 5636 B15R1.34 COCCCCCCOC1COC(=O)O1 34a_200012092642_100000032252 [0,2,0,0,0,0|1,0,0]=3 5637 B15R1.34 COCCCCCCSC1COC(=O)O1 62a_100011998445_100000032252 [0,2,0,0,0,0|1,0,0]=3 5638 B15R1.34 COCCCCCNCC1CNC(=O)O1 2230a_100000747528_100000181169 [0,2,0,0,0,0|1,0,0]=3 5639 B15R1.34 COCCCCCNCC1CNC(=O)O1 34a_100000747528_100000181169 [0,2,0,0,0,0|1,0,0]=3 5640 B15R1.34 COCCCCCNCC1COC(=O)O1 34a_100000747528_100000073702 [0,2,0,0,0,0|1,0,0]=3 5641 B15R1.34 COCCCCCNC[C@@H]1CCC(=O)N1 2230a_100000747528_100015189358 [0,2,0,0,0,0|1,0,0]=3 5642 B15R1.34 COCCCCCNC[C@H]1COC(=O)N1 2230a_100000747528_100015307671 [0,2,0,0,0,0|2,0,0]=4 5643 B15R1.34 COCCCCCNC[C@H]1COC(=O)N1 34a_100000747528_100015307671 [0,2,0,0,0,0|2,0,0]=4 5644 B15R1.34 COCCCCSCCC1COS(=O)O1 62a_100000730899_100009840081 [0,2,0,0,0,0|2,0,0]=4 5645 B15R1.34 COCCOCCCNC1COC(=O)O1 34a_100000206027_100000032252 [0,2,0,0,0,0|2,0,0]=4 5646 B15R1.34 COCCOCCCOC1CCC(=O)C1 34a_100012614533_100011216529 [0,2,0,0,0,0|2,0,0]=4 5647 B15R1.34 COCCOCCCSC1COC(=O)O1 62a_100011216529_100000032252 [0,2,0,0,0,0|2,0,0]=4 5648 B15R1.34 COCCOCCNCC1CNC(=O)O1 2230a_100000745349_100000181169 [0,2,0,0,0,0|2,0,0]=4 5649 B15R1.34 COCCOCCNCC1CNC(=O)O1 34a_100000745349_100000181169 [0,2,0,0,0,0|2,0,0]=4 5650 B15R1.34 COCCOCCNCC1COC(=O)O1 34a_100000745349_100000073702 [0,2,0,0,0,0|2,0,0]=4 5651 B15R1.34 COCCOCCNC[C@@H]1CCC(=O)N1 2230a_100000745349_100015189358 [0,2,0,0,0,0|2,0,0]=4 5652 B15R1.34 COCCOCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100000695917 [0,2,0,0,0,0|2,0,0]=4 5653 B15R1.34 COCCOCCNC[C@H]1CCC(=O)N1 34a_100015423886_100000695917 [0,2,0,0,0,0|2,0,0]=4 5654 B15R1.34 COCCOCCOCC1CCC(=O)N1 34a_100000737831_100000695917 [0,2,0,0,0,0|2,0,0]=4 5655 B15R1.34 COCCOCCOCC1CNC(=O)O1 34a_100011215163_100000181169 [0,2,0,0,0,0|2,0,0]=4 5656 B15R1.34 COCCOCCOCC1CNC(=O)O1 34a_100011315639_100000695917 [0,2,0,0,0,0|2,0,0]=4 5657 B15R1.34 COCCOCCOCC1CNC(=O)O1 7a_100011215163_100000181169 [0,2,0,0,0,0|2,0,0]=4 5658 B15R1.34 COCCOCCOCC1COC(=O)O1 34a_100011215163_100000073702 [0,2,0,0,0,0|2,0,0]=4 5659 B15R1.34 COCCOCCOC[C@@H]1CCC(=O)N1 7a_100011215163_100015189358 [0,2,0,0,0,0|2,0,0]=4 5660 B15R1.34 COCCOCCSCC1CNC(=O)O1 62a_100000181169_100000695917 [0,2,0,0,0,0|2,0,0]=4 5661 B15R1.34 COCCOCCSCC1CNC(=O)O1 62a_100000695917_100000181169 [0,2,0,0,0,0|2,0,0]=4 5662 B15R1.34 COCCOCCSCC1COC(=O)O1 62a_100000073702_100000695917 [0,2,0,0,0,0|2,0,0]=4 5663 B15R1.34 COCCOCCSCC1COC(=O)O1 62a_100000695917_100000073702 [0,2,0,0,0,0|2,0,0]=4 5664 B15R1.34 COCCOCCSC[C@@H]1CCC(=O)N1 62a_100000695917_100015189358 [0,2,0,0,0,0|2,0,0]=4 5665 B15R1.34 COCCOCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000695917 [0,2,0,0,0,0|2,0,0]=4 5666 B15R1.34 CSCCCCOCCC1COS(=O)O1 7a_100011217163_100009840081 [0,2,0,0,0,0|2,0,0]=4 5667 B15R1.34 N#CCCCCCCSC1COC(=O)O1 62a_100009813337_100000032252 [0,2,0,0,0,0|1,0,1]=4 5668 B15R1.34 N#CCCCCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100009813376 [0,2,0,0,0,0|1,0,1]=4 5669 B15R1.34 N#CCCCCCSCC1CNC(=O)O1 62a_100000181169_100009813376 [0,2,0,0,0,0|1,0,1]=4 5670 B15R1.34 N#CCCCCCSCC1CNC(=O)O1 62a_100009813376_100000181169 [0,2,0,0,0,0|1,0,1]=4 5671 B15R1.34 N#CCCCCCSCC1COC(=O)O1 62a_100000073702_100009813376 [0,2,0,0,0,0|1,0,1]=4 5672 B15R1.34 N#CCCCCCSCC1COC(=O)O1 62a_100009813376_100000073702 [0,2,0,0,0,0|1,0,1]=4 5673 B15R1.34 N#CCCCCCSC[C@@H]1CCC(=O)N1 62a_100009813376_100015189358 [0,2,0,0,0,0|1,0,1]=4 5674 B15R1.34 N#CCCCCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100009813376 [0,2,0,0,0,0|1,0,1]=4 5675 B15R1.34 NCCCCCCCOC1COC(=O)O1 34a_100011996573_100000032252 [0,2,0,0,0,0|1,0,0]=3 5676 B15R1.34 NCCCCCCOCC1CNC(=O)O1 34a_100000686447_100000181169 [0,2,0,0,0,0|1,0,0]=3 5677 B15R1.34 NCCCCCCOCC1COC(=O)O1 34a_100000686447_100000073702 [0,2,0,0,0,0|1,0,0]=3 5678 B15R1.34 NCCCCCCOC[C@H]1COC(=O)N1 34a_100000686447_100015307671 [0,2,0,0,0,0|2,0,0]=4 5679 B15R1.34 NCCCOCCCOC1COC(=O)O1 34a_100011310245_100000032252 [0,2,0,0,0,0|2,0,0]=4 5680 B15R1.34 O=C1CC(CN1)CNCCCCCCF 2230a_100016993742_100015922095 [0,2,0,0,0,0|2,0,0]=4 5681 B15R1.34 O=C1CC(CN1)CNCCCCCCF 34a_100016993742_100015922095 [0,2,0,0,0,0|2,0,0]=4 5682 B15R1.34 O=C1CC(CN1)CNCCCCCCO 2230a_100016993742_100000766143 [0,2,0,0,0,0|2,0,0]=4 5683 B15R1.34 O=C1CC(CN1)CNCCCCCCO 34a_100016993742_100000766143 [0,2,0,0,0,0|2,0,0]=4 5684 B15R1.34 O=C1CC(CN1)COCCCCCCF 34a_100016041077_100015922095 [0,2,0,0,0,0|2,0,0]=4 5685 B15R1.34 O=C1CC(CN1)COCCCCCCO 34a_100016041077_100000766143 [0,2,0,0,0,0|2,0,0]=4 5686 B15R1.34 O=C1CC(CN1)NCCCCCCCO 2230a_100000697751_100000760002 [0,2,0,0,0,0|2,0,0]=4 5687 B15R1.34 O=C1CC(CN1)OCCCCCCCO 34a_100000690082_100000760002 [0,2,0,0,0,0|2,0,0]=4 5688 B15R1.34 O=C1CCC(C1)OCCCCCCCO 34a_100012614533_100000760002 [0,2,0,0,0,0|1,0,0]=3 5689 B15R1.34 O=C1CCC(N1)COCCCCCCF 34a_100000737831_100015922095 [0,2,0,0,0,0|1,0,0]=3 5690 B15R1.34 O=C1CCC(N1)COCCCCCCO 34a_100000737831_100000766143 [0,2,0,0,0,0|1,0,0]=3 5691 B15R1.34 O=C1CC[C@@H](N1)CNCCCCCCF 2230a_100015423886_100015922095 [0,2,0,0,0,0|1,0,0]=3 5692 B15R1.34 O=C1CC[C@@H](N1)CNCCCCCCF 34a_100015423886_100015922095 [0,2,0,0,0,0|1,0,0]=3 5693 B15R1.34 O=C1CC[C@@H](N1)CNCCCCCCO 2230a_100015423886_100000766143 [0,2,0,0,0,0|1,0,0]=3 5694 B15R1.34 O=C1CC[C@@H](N1)CNCCCCCCO 34a_100015423886_100000766143 [0,2,0,0,0,0|1,0,0]=3 5695 B15R1.34 O=C1CC[C@H](N1)CNCCCCCCO 2230a_100000686447_100015189358 [0,2,0,0,0,0|1,0,0]=3 5696 B15R1.34 O=C1CC[C@H](N1)COCCCCCCBr 7a_100011215345_100015189358 [0,2,0,0,0,0|1,0,0]=3 5697 B15R1.34 O=C1CC[C@H](N1)COCCCCCCCl 7a_100000766143_100015189358 [0,2,0,0,0,0|1,0,0]=3 5698 B15R1.34 O=C1CC[C@H](N1)COCCCCCCF 7a_100000732779_100015189358 [0,2,0,0,0,0|1,0,0]=3 5699 B15R1.34 O=C1CC[C@H](N1)CSCCCCCCF 62a_100015189358_100015922095 [0,2,0,0,0,0|1,0,0]=3 5700 B15R1.34 O=C1CC[C@H](N1)CSCCCCCCF 62a_100015922095_100015189358 [0,2,0,0,0,0|1,0,0]=3 5701 B15R1.34 O=C1CC[C@H](N1)CSCCCCCCO 62a_100000766143_100015189358 [0,2,0,0,0,0|1,0,0]=3 5702 B15R1.34 O=C1CC[C@H](N1)CSCCCCCCO 62a_100015189358_100000766143 [0,2,0,0,0,0|1,0,0]=3 5703 B15R1.34 O=C1NCC(O1)CNCCCCCCO 2230a_100000686447_100000181169 [0,2,0,0,0,0|1,0,0]=3 5704 B15R1.34 O=C1NCC(O1)CNCCCCCCO 34a_100000686447_100000181169 [0,2,0,0,0,0|1,0,0]=3 5705 B15R1.34 O=C1NCC(O1)COCCCCCCBr 34a_100011215345_100000181169 [0,2,0,0,0,0|1,0,0]=3 5706 B15R1.34 O=C1NCC(O1)COCCCCCCBr 7a_100011215345_100000181169 [0,2,0,0,0,0|1,0,0]=3 5707 B15R1.34 O=C1NCC(O1)COCCCCCCCl 34a_100000766143_100000181169 [0,2,0,0,0,0|1,0,0]=3 5708 B15R1.34 O=C1NCC(O1)COCCCCCCCl 7a_100000766143_100000181169 [0,2,0,0,0,0|1,0,0]=3 5709 B15R1.34 O=C1NCC(O1)COCCCCCCF 34a_100000732779_100000181169 [0,2,0,0,0,0|1,0,0]=3 5710 B15R1.34 O=C1NCC(O1)COCCCCCCF 34a_100011315639_100015922095 [0,2,0,0,0,0|1,0,0]=3 5711 B15R1.34 O=C1NCC(O1)COCCCCCCF 7a_100000732779_100000181169 [0,2,0,0,0,0|1,0,0]=3 5712 B15R1.34 O=C1NCC(O1)COCCCCCCO 34a_100011315639_100000766143 [0,2,0,0,0,0|1,0,0]=3 5713 B15R1.34 O=C1NCC(O1)CSCCCCCCF 62a_100000181169_100015922095 [0,2,0,0,0,0|1,0,0]=3 5714 B15R1.34 O=C1NCC(O1)CSCCCCCCF 62a_100015922095_100000181169 [0,2,0,0,0,0|1,0,0]=3 5715 B15R1.34 O=C1NCC(O1)CSCCCCCCO 62a_100000181169_100000766143 [0,2,0,0,0,0|1,0,0]=3 5716 B15R1.34 O=C1NCC(O1)CSCCCCCCO 62a_100000766143_100000181169 [0,2,0,0,0,0|1,0,0]=3 5717 B15R1.34 O=C1N[C@H](CO1)CNCCCCCCO 2230a_100000686447_100015307671 [0,2,0,0,0,0|2,0,0]=4 5718 B15R1.34 O=C1N[C@H](CO1)CNCCCCCCO 34a_100000686447_100015307671 [0,2,0,0,0,0|2,0,0]=4 5719 B15R1.34 O=C1N[C@H](CO1)COCCCCCCBr 34a_100011215345_100015307671 [0,2,0,0,0,0|2,0,0]=4 5720 B15R1.34 O=C1N[C@H](CO1)COCCCCCCBr 7a_100011215345_100015307671 [0,2,0,0,0,0|2,0,0]=4 5721 B15R1.34 O=C1N[C@H](CO1)COCCCCCCCl 34a_100000766143_100015307671 [0,2,0,0,0,0|2,0,0]=4 5722 B15R1.34 O=C1N[C@H](CO1)COCCCCCCCl 7a_100000766143_100015307671 [0,2,0,0,0,0|2,0,0]=4 5723 B15R1.34 O=C1N[C@H](CO1)COCCCCCCF 34a_100000732779_100015307671 [0,2,0,0,0,0|2,0,0]=4 5724 B15R1.34 O=C1N[C@H](CO1)COCCCCCCF 7a_100000732779_100015307671 [0,2,0,0,0,0|2,0,0]=4 5725 B15R1.34 O=C1N[C@H](CO1)CSCCCCCCF 62a_100015307671_100015922095 [0,2,0,0,0,0|2,0,0]=4 5726 B15R1.34 O=C1N[C@H](CO1)CSCCCCCCF 62a_100015922095_100015307671 [0,2,0,0,0,0|2,0,0]=4 5727 B15R1.34 O=C1N[C@H](CO1)CSCCCCCCO 62a_100000766143_100015307671 [0,2,0,0,0,0|2,0,0]=4 5728 B15R1.34 O=C1N[C@H](CO1)CSCCCCCCO 62a_100015307671_100000766143 [0,2,0,0,0,0|2,0,0]=4 5729 B15R1.34 O=C1OCC(O1)CNCCCCCCO 34a_100000686447_100000073702 [0,2,0,0,0,0|1,0,0]=3 5730 B15R1.34 O=C1OCC(O1)COCCCCCCBr 34a_100011215345_100000073702 [0,2,0,0,0,0|1,0,0]=3 5731 B15R1.34 O=C1OCC(O1)COCCCCCCCl 34a_100000766143_100000073702 [0,2,0,0,0,0|1,0,0]=3 5732 B15R1.34 O=C1OCC(O1)COCCCCCCF 34a_100000732779_100000073702 [0,2,0,0,0,0|1,0,0]=3 5733 B15R1.34 O=C1OCC(O1)CSCCCCCCF 62a_100000073702_100015922095 [0,2,0,0,0,0|1,0,0]=3 5734 B15R1.34 O=C1OCC(O1)CSCCCCCCF 62a_100015922095_100000073702 [0,2,0,0,0,0|1,0,0]=3 5735 B15R1.34 O=C1OCC(O1)CSCCCCCCO 62a_100000073702_100000766143 [0,2,0,0,0,0|1,0,0]=3 5736 B15R1.34 O=C1OCC(O1)CSCCCCCCO 62a_100000766143_100000073702 [0,2,0,0,0,0|1,0,0]=3 5737 B15R1.34 O=C1OCC(O1)NCCCCCCCO 34a_100011996573_100000032252 [0,2,0,0,0,0|1,0,0]=3 5738 B15R1.34 O=C1OCC(O1)NCCCOCCCO 34a_100011310245_100000032252 [0,2,0,0,0,0|2,0,0]=4 5739 B15R1.34 O=C1OCC(O1)OCCCCCCCBr 34a_100000760002_100000032252 [0,2,0,0,0,0|1,0,0]=3 5740 B15R1.34 O=C1OCC(O1)SCCCCCCCO 62a_100000760002_100000032252 [0,2,0,0,0,0|1,0,0]=3 5741 B15R1.34 O=CCCCCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100000139337 [0,2,0,0,0,0|1,0,1]=4 5742 B15R1.34 O=CCCCCCSCC1CNC(=O)O1 62a_100000139337_100000181169 [0,2,0,0,0,0|1,0,1]=4 5743 B15R1.34 O=CCCCCCSCC1CNC(=O)O1 62a_100000181169_100000139337 [0,2,0,0,0,0|1,0,1]=4 5744 B15R1.34 O=CCCCCCSCC1COC(=O)O1 62a_100000073702_100000139337 [0,2,0,0,0,0|1,0,1]=4 5745 B15R1.34 O=CCCCCCSCC1COC(=O)O1 62a_100000139337_100000073702 [0,2,0,0,0,0|1,0,1]=4 5746 B15R1.34 O=CCCCCCSC[C@@H]1CCC(=O)N1 62a_100000139337_100015189358 [0,2,0,0,0,0|1,0,1]=4 5747 B15R1.34 O=CCCCCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000139337 [0,2,0,0,0,0|1,0,1]=4 5748 B15R1.34 O=S1OCC(O1)CCOCCCCCBr 7a_100000746331_100009840081 [0,2,0,0,0,0|2,0,0]=4 5749 B15R1.34 O=S1OCC(O1)CCOCCCCCCl 7a_100000746330_100009840081 [0,2,0,0,0,0|2,0,0]=4 5750 B15R1.34 O=S1OCC(O1)CCOCCCCCI 7a_200012148887_100009840081 [0,2,0,0,0,0|2,0,0]=4 5751 B15R1.34 O=S1OCC(O1)CCSCCCCCF 62a_100000729378_100009840081 [0,2,0,0,0,0|2,0,0]=4 5752 B15R1.34 O=S1OCC(O1)CCSCCCCCO 62a_100000746330_100009840081 [0,2,0,0,0,0|2,0,0]=4 5753 B15R1.77 CCCCCC(=O)CCC1COS(=O)O1 1458a_100000212188_100009840081 [0,2,0,0,0,0|2,0,0]=4 5754 B15R1.77 CCCCCC(=O)COC1CCC(=O)C1 34a_100012614533_200012276598 [0,2,0,0,0,0|1,0,1]=4 5755 B15R1.77 CCCCCC(=O)CSC1COC(=O)O1 62a_200012276598_100000032252 [0,2,0,0,0,0|1,0,1]=4 5756 B15R1.77 CCCCCC(=O)NC[C@H]1CCC(=O)N1 11a_100015423886_100000212188 [0,2,0,0,0,0|1,0,1]=4 5757 B15R1.77 CCCCCC(=O)NC[C@H]1CCC(=O)N1 1626a_100015423886_100000212188 [0,2,0,0,0,0|1,0,1]=4 5758 B15R1.77 CCCCCC(=O)NC[C@H]1CCC(=O)N1 240690a_100015423886_100000212188 [0,2,0,0,0,0|1,0,1]=4 5759 B15R1.77 CCCCCC(=O)NC[C@H]1CCC(=O)N1 527a_100015423886_100000212188 [0,2,0,0,0,0|1,0,1]=4 5760 B15R1.77 CCCCCC(C)NCC1CNC(=O)C1 2230a_100016993742_200011218191 [0,2,0,0,0,0|2,0,0]=4 5761 B15R1.77 CCCCCC(C)NCC1CNC(=O)C1 34a_100016993742_200011218191 [0,2,0,0,0,0|2,0,0]=4 5762 B15R1.77 CCCCCC(C)NCC1CNC(=O)O1 2230a_100000211957_100000181169 [0,2,0,0,0,0|1,0,0]=3 5763 B15R1.77 CCCCCC(C)NC[C@@H]1CCC(=O)N1 2230a_100000211957_100015189358 [0,2,0,0,0,0|1,0,0]=3 5764 B15R1.77 CCCCCC(C)NC[C@H]1CCC(=O)N1 2230a_100015423886_200011218191 [0,2,0,0,0,0|1,0,0]=3 5765 B15R1.77 CCCCCC(C)NC[C@H]1CCC(=O)N1 270004a_100015423886_100000211708 [0,2,0,0,0,0|1,0,0]=3 5766 B15R1.77 CCCCCC(C)NC[C@H]1CCC(=O)N1 34a_100015423886_200011218191 [0,2,0,0,0,0|1,0,0]=3 5767 B15R1.77 CCCCCC(C)NC[C@H]1COC(=O)N1 2230a_100000211957_100015307671 [0,2,0,0,0,0|2,0,0]=4 5768 B15R1.77 CCCCCC(C)OCC1CCC(=O)N1 34a_100000737831_200011218191 [0,2,0,0,0,0|1,0,0]=3 5769 B15R1.77 CCCCCC(C)OCC1CNC(=O)C1 34a_100016041077_200011218191 [0,2,0,0,0,0|2,0,0]=4 5770 B15R1.77 CCCCCC(C)OCC1CNC(=O)O1 34a_100011215632_100000181169 [0,2,0,0,0,0|1,0,0]=3 5771 B15R1.77 CCCCCC(C)OCC1CNC(=O)O1 34a_100011315639_200011218191 [0,2,0,0,0,0|1,0,0]=3 5772 B15R1.77 CCCCCC(C)OCC1CNC(=O)O1 7a_100011215632_100000181169 [0,2,0,0,0,0|1,0,0]=3 5773 B15R1.77 CCCCCC(C)OCC1COC(=O)O1 34a_100011215632_100000073702 [0,2,0,0,0,0|1,0,0]=3 5774 B15R1.77 CCCCCC(C)OC[C@@H]1CCC(=O)N1 7a_100011215632_100015189358 [0,2,0,0,0,0|1,0,0]=3 5775 B15R1.77 CCCCCC(C)OC[C@H]1COC(=O)N1 34a_100011215632_100015307671 [0,2,0,0,0,0|2,0,0]=4 5776 B15R1.77 CCCCCC(C)OC[C@H]1COC(=O)N1 7a_100011215632_100015307671 [0,2,0,0,0,0|2,0,0]=4 5777 B15R1.77 CCCCCC(C)SCC1CNC(=O)O1 62a_100000181169_200011218191 [0,2,0,0,0,0|1,0,0]=3 5778 B15R1.77 CCCCCC(C)SCC1CNC(=O)O1 62a_200011218191_100000181169 [0,2,0,0,0,0|1,0,0]=3 5779 B15R1.77 CCCCCC(C)SCC1COC(=O)O1 62a_100000073702_200011218191 [0,2,0,0,0,0|1,0,0]=3 5780 B15R1.77 CCCCCC(C)SCC1COC(=O)O1 62a_200011218191_100000073702 [0,2,0,0,0,0|1,0,0]=3 5781 B15R1.77 CCCCCC(C)SC[C@@H]1CCC(=O)N1 62a_100015189358_200011218191 [0,2,0,0,0,0|1,0,0]=3 5782 B15R1.77 CCCCCC(C)SC[C@@H]1CCC(=O)N1 62a_200011218191_100015189358 [0,2,0,0,0,0|1,0,0]=3 5783 B15R1.77 CCCCCC(C)SC[C@H]1COC(=O)N1 62a_100015307671_200011218191 [0,2,0,0,0,0|2,0,0]=4 5784 B15R1.77 CCCCCC(C)SC[C@H]1COC(=O)N1 62a_200011218191_100015307671 [0,2,0,0,0,0|2,0,0]=4 5785 B15R1.77 CCCCCN(C)CCC1COS(=O)O1 269982a_100000223495_100009840081 [0,2,0,0,0,0|2,0,0]=4 5786 B15R1.77 CCCSCC(C)NC[C@H]1CCC(=O)N1 270004a_100015423886_100011343953 [0,2,0,0,0,0|2,0,0]=4 5787 B15R1.77 CCOCCC(C)NC[C@H]1CCC(=O)N1 270004a_100015423886_200011216536 [0,2,0,0,0,0|2,0,0]=4 5788 B15R1.77 COCCCC(C)OCC1CNC(=O)O1 34a_200011539412_100000181169 [0,2,0,0,0,0|2,0,0]=4 5789 B15R1.77 COCCCC(C)OCC1CNC(=O)O1 7a_200011539412_100000181169 [0,2,0,0,0,0|2,0,0]=4 5790 B15R1.77 COCCCC(C)OCC1COC(=O)O1 34a_200011539412_100000073702 [0,2,0,0,0,0|2,0,0]=4 5791 B15R1.77 COCCCC(C)OC[C@@H]1CCC(=O)N1 7a_200011539412_100015189358 [0,2,0,0,0,0|2,0,0]=4 5792 B15R1.77 CSCCCC(C)NC[C@H]1CCC(=O)N1 270004a_100015423886_100011399439 [0,2,0,0,0,0|2,0,0]=4 5793 B15R1.77 NCCCC[C@H](N)COC1COC(=O)O1 34a_100016993712_100000032252 [0,2,0,0,0,0|2,0,0]=4 5794 B15R1.82 CCCCCCC(=O)CC1CCC(=O)N1 1458a_100000026770_100000210757 [0,2,0,0,0,0|1,0,0]=3 5795 B15R1.82 CCCCCCC(=O)CC1CNC(=O)O1 1458a_100102632555_100000181169 [0,2,0,0,0,0|1,0,0]=3 5796 B15R1.82 CCCCCCC(=O)CC1COC(=O)O1 1458a_100102632555_100000073702 [0,2,0,0,0,0|1,0,0]=3 5797 B15R1.82 CCCCCCC(=O)C[C@@H]1CCC(=O)N1 1458a_100102632555_100015189358 [0,2,0,0,0,0|1,0,0]=3 5798 B15R1.82 CCCCCCC(=O)C[C@H]1COC(=O)N1 1458a_100102632555_100015307671 [0,2,0,0,0,0|2,0,0]=4 5799 B15R1.82 CCCCCCC(C)NC1CNC(=O)C1 2230a_100000697751_100011215978 [0,2,0,0,0,0|2,0,0]=4 5800 B15R1.82 CCCCCCC(C)NC1COC(=O)O1 34a_100000210919_100000032252 [0,2,0,0,0,0|1,0,0]=3 5801 B15R1.82 CCCCCCC(C)OC1CCC(=O)C1 34a_100012614533_100011215978 [0,2,0,0,0,0|1,0,0]=3 5802 B15R1.82 CCCCCCC(C)OC1CNC(=O)C1 34a_100000690082_100011215978 [0,2,0,0,0,0|2,0,0]=4 5803 B15R1.82 CCCCCCC(C)OC1COC(=O)O1 34a_100000210265_100000032252 [0,2,0,0,0,0|1,0,0]=3 5804 B15R1.82 CCCCCCC(C)SC1COC(=O)O1 62a_100011215978_100000032252 [0,2,0,0,0,0|1,0,0]=3 5805 B15R1.82 CCCCCCN(C)CC1CNC(=O)O1 2230a_106256046315_100000181169 [0,2,0,0,0,0|1,0,0]=3 5806 B15R1.82 CCCCCCN(C)CC1CNC(=O)O1 269982a_106256046315_100000181169 [0,2,0,0,0,0|1,0,0]=3 5807 B15R1.82 CCCCCCN(C)CC1COC(=O)O1 269982a_106256046315_100000073702 [0,2,0,0,0,0|1,0,0]=3 5808 B15R1.82 CCCCCCN(C)C[C@@H]1CCC(=O)N1 2230a_106256046315_100015189358 [0,2,0,0,0,0|1,0,0]=3 5809 B15R1.82 CCCCCCN(C)C[C@@H]1CCC(=O)N1 269982a_106256046315_100015189358 [0,2,0,0,0,0|1,0,0]=3 5810 B15R1.82 CCCCCCN(C)C[C@H]1COC(=O)N1 2230a_106256046315_100015307671 [0,2,0,0,0,0|2,0,0]=4 5811 B15R1.82 CCCCCCN(C)C[C@H]1COC(=O)N1 269982a_106256046315_100015307671 [0,2,0,0,0,0|2,0,0]=4 5812 B15R1.82 CCCCCNC(=O)CC1CCC(=O)N1 1626a_100000209983_100000026770 [0,2,0,0,0,0|1,0,1]=4 5813 B15R1.82 CCCCCNC(=O)CC1CCC(=O)N1 240690a_100000209983_100000026770 [0,2,0,0,0,0|1,0,1]=4 5814 B15R1.82 CCCCOCC(=O)CC1CCC(=O)N1 1458a_100000026770_100011995733 [0,2,0,0,0,0|1,0,1]=4 5815 B15R1.82 CCCCOCC(=O)CC1CNC(=O)O1 1458a_100000757543_100000181169 [0,2,0,0,0,0|1,0,1]=4 5816 B15R1.82 CCCCOCC(=O)CC1COC(=O)O1 1458a_100000757543_100000073702 [0,2,0,0,0,0|1,0,1]=4 5817 B15R1.82 CCCCOCC(=O)C[C@@H]1CCC(=O)N1 1458a_100000757543_100015189358 [0,2,0,0,0,0|1,0,1]=4 5818 B15R1.82 CCCCOCC(C)OC1COC(=O)O1 34a_100011217071_100000032252 [0,2,0,0,0,0|2,0,0]=4 5819 B15R1.82 CCCCSCC(=O)CC1CNC(=O)O1 1458a_100000191162_100000181169 [0,2,0,0,0,0|1,0,1]=4 5820 B15R1.82 CCCCSCC(=O)CC1COC(=O)O1 1458a_100000191162_100000073702 [0,2,0,0,0,0|1,0,1]=4 5821 B15R1.82 CCCCSCC(=O)C[C@@H]1CCC(=O)N1 1458a_100000191162_100015189358 [0,2,0,0,0,0|1,0,1]=4 5822 B15R1.82 CCCOCCC(=O)CC1CCC(=O)N1 1458a_100000026770_100011215938 [0,2,0,0,0,0|1,0,1]=4 5823 B15R1.82 CCOCCCC(=O)CC1CCC(=O)N1 1458a_100000026770_100012232248 [0,2,0,0,0,0|1,0,1]=4 5824 B15R1.82 CN(CCCCCO)CC1CNC(=O)O1 2230a_100000722520_100000181169 [0,2,0,0,0,0|2,0,0]=4 5825 B15R1.82 CN(CCCCCO)CC1CNC(=O)O1 269982a_100000722520_100000181169 [0,2,0,0,0,0|2,0,0]=4 5826 B15R1.82 CN(CCCCCO)CC1COC(=O)O1 269982a_100000722520_100000073702 [0,2,0,0,0,0|2,0,0]=4 5827 B15R1.82 CN(CCCCCO)C[C@@H]1CCC(=O)N1 2230a_100000722520_100015189358 [0,2,0,0,0,0|2,0,0]=4 5828 B15R1.82 CN(CCCCCO)C[C@@H]1CCC(=O)N1 269982a_100000722520_100015189358 [0,2,0,0,0,0|2,0,0]=4 5829 B15R1.82 COCCCCC(=O)CC1CCC(=O)N1 1458a_100000026770_100000755781 [0,2,0,0,0,0|1,0,1]=4 5830 B15R1.82 O=C(CCCCCF)CC1CCC(=O)N1 1458a_100000026770_100000729378 [0,2,0,0,0,0|1,0,1]=4 5831 B15R1.82 O=C(CCCCCO)CC1CCC(=O)N1 1458a_100000026770_100000746330 [0,2,0,0,0,0|1,0,1]=4 5832 B15R1.82 O=C(CCCCCO)CC1CNC(=O)O1 1458a_100102619762_100000181169 [0,2,0,0,0,0|1,0,1]=4 5833 B15R1.82 O=C(CCCCCO)CC1COC(=O)O1 1458a_100102619762_100000073702 [0,2,0,0,0,0|1,0,1]=4 5834 B15R1.82 O=C(CCCCCO)C[C@@H]1CCC(=O)N1 1458a_100102619762_100015189358 [0,2,0,0,0,0|1,0,1]=4 5835 B15R1.110 CC(=O)CCCCNC[C@H]1CCC(=O)N1 34a_100015423886_100009817362 [0,2,0,0,0,0|1,0,1]=4 5836 B15R1.110 CC(=O)CCCCOCC1CCC(=O)N1 34a_100000737831_100009817362 [0,2,0,0,0,0|1,0,1]=4 5837 B15R1.110 CC(=O)CCCCOCC1CNC(=O)O1 34a_100011315639_100009817362 [0,2,0,0,0,0|1,0,1]=4 5838 B15R1.110 CC(=O)CCCCSCC1CNC(=O)O1 62a_100000181169_100000735457 [0,2,0,0,0,0|1,0,1]=4 5839 B15R1.110 CC(=O)CCCCSCC1CNC(=O)O1 62a_100000735457_100000181169 [0,2,0,0,0,0|1,0,1]=4 5840 B15R1.110 CC(=O)CCCCSCC1COC(=O)O1 62a_100000073702_100000735457 [0,2,0,0,0,0|1,0,1]=4 5841 B15R1.110 CC(=O)CCCCSCC1COC(=O)O1 62a_100000735457_100000073702 [0,2,0,0,0,0|1,0,1]=4 5842 B15R1.110 CC(=O)CCCCSC[C@@H]1CCC(=O)N1 62a_100000735457_100015189358 [0,2,0,0,0,0|1,0,1]=4 5843 B15R1.110 CC(=O)CCCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000735457 [0,2,0,0,0,0|1,0,1]=4 5844 B15R1.110 CC(C)CCCCCNC1CNC(=O)C1 2230a_100000697751_100000210682 [0,2,0,0,0,0|2,0,0]=4 5845 B15R1.110 CC(C)CCCCCNC1COC(=O)O1 34a_100011290863_100000032252 [0,2,0,0,0,0|1,0,0]=3 5846 B15R1.110 CC(C)CCCCCOC1CCC(=O)C1 34a_100012614533_100000210682 [0,2,0,0,0,0|1,0,0]=3 5847 B15R1.110 CC(C)CCCCCOC1CNC(=O)C1 34a_100000690082_100000210682 [0,2,0,0,0,0|2,0,0]=4 5848 B15R1.110 CC(C)CCCCCOC1COC(=O)O1 34a_100011995859_100000032252 [0,2,0,0,0,0|1,0,0]=3 5849 B15R1.110 CC(C)CCCCCSC1COC(=O)O1 62a_100000210682_100000032252 [0,2,0,0,0,0|1,0,0]=3 5850 B15R1.110 CC(C)CCCCNCC1CNC(=O)C1 2230a_100016993742_100011216152 [0,2,0,0,0,0|2,0,0]=4 5851 B15R1.110 CC(C)CCCCNCC1CNC(=O)C1 34a_100016993742_100011216152 [0,2,0,0,0,0|2,0,0]=4 5852 B15R1.110 CC(C)CCCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100011216152 [0,2,0,0,0,0|1,0,0]=3 5853 B15R1.110 CC(C)CCCCNC[C@H]1CCC(=O)N1 34a_100015423886_100011216152 [0,2,0,0,0,0|1,0,0]=3 5854 B15R1.110 CC(C)CCCCOCC1CCC(=O)N1 34a_100000737831_100011216152 [0,2,0,0,0,0|1,0,0]=3 5855 B15R1.110 CC(C)CCCCOCC1CNC(=O)C1 34a_100016041077_100011216152 [0,2,0,0,0,0|2,0,0]=4 5856 B15R1.110 CC(C)CCCCOCC1CNC(=O)O1 34a_100011214890_100000181169 [0,2,0,0,0,0|1,0,0]=3 5857 B15R1.110 CC(C)CCCCOCC1CNC(=O)O1 34a_100011315639_100011216152 [0,2,0,0,0,0|1,0,0]=3 5858 B15R1.110 CC(C)CCCCOCC1CNC(=O)O1 7a_100011214890_100000181169 [0,2,0,0,0,0|1,0,0]=3 5859 B15R1.110 CC(C)CCCCOCC1COC(=O)O1 34a_100011214890_100000073702 [0,2,0,0,0,0|1,0,0]=3 5860 B15R1.110 CC(C)CCCCOC[C@@H]1CCC(=O)N1 7a_100011214890_100015189358 [0,2,0,0,0,0|1,0,0]=3 5861 B15R1.110 CC(C)CCCCOC[C@H]1COC(=O)N1 34a_100011214890_100015307671 [0,2,0,0,0,0|2,0,0]=4 5862 B15R1.110 CC(C)CCCCOC[C@H]1COC(=O)N1 7a_100011214890_100015307671 [0,2,0,0,0,0|2,0,0]=4 5863 B15R1.110 CC(C)CCCCSCC1CNC(=O)O1 62a_100000181169_100011216152 [0,2,0,0,0,0|1,0,0]=3 5864 B15R1.110 CC(C)CCCCSCC1CNC(=O)O1 62a_100011216152_100000181169 [0,2,0,0,0,0|1,0,0]=3 5865 B15R1.110 CC(C)CCCCSCC1COC(=O)O1 62a_100000073702_100011216152 [0,2,0,0,0,0|1,0,0]=3 5866 B15R1.110 CC(C)CCCCSCC1COC(=O)O1 62a_100011216152_100000073702 [0,2,0,0,0,0|1,0,0]=3 5867 B15R1.110 CC(C)CCCCSC[C@@H]1CCC(=O)N1 62a_100011216152_100015189358 [0,2,0,0,0,0|1,0,0]=3 5868 B15R1.110 CC(C)CCCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100011216152 [0,2,0,0,0,0|1,0,0]=3 5869 B15R1.110 CC(C)CCCCSC[C@H]1COC(=O)N1 62a_100011216152_100015307671 [0,2,0,0,0,0|2,0,0]=4 5870 B15R1.110 CC(C)CCCCSC[C@H]1COC(=O)N1 62a_100015307671_100011216152 [0,2,0,0,0,0|2,0,0]=4 5871 B15R1.110 CC(C)CCCOCCC1COS(=O)O1 7a_100000210774_100009840081 [0,2,0,0,0,0|2,0,0]=4 5872 B15R1.110 CC(C)CCCSCCC1COS(=O)O1 62a_100011214892_100009840081 [0,2,0,0,0,0|2,0,0]=4 5873 B15R1.110 CC(C)CNCCOCC1CNC(=O)O1 34a_100015185251_100000181169 [0,2,0,0,0,0|2,0,0]=4 5874 B15R1.110 CC(C)CNCCOCC1COC(=O)O1 34a_100015185251_100000073702 [0,2,0,0,0,0|2,0,0]=4 5875 B15R1.110 CC(C)COCCCNC1COC(=O)O1 34a_100000205972_100000032252 [0,2,0,0,0,0|2,0,0]=4 5876 B15R1.110 CC(C)COCCOCC1CNC(=O)O1 34a_100000703358_100000181169 [0,2,0,0,0,0|2,0,0]=4 5877 B15R1.110 CC(C)COCCOCC1CNC(=O)O1 7a_100000703358_100000181169 [0,2,0,0,0,0|2,0,0]=4 5878 B15R1.110 CC(C)COCCOCC1COC(=O)O1 34a_100000703358_100000073702 [0,2,0,0,0,0|2,0,0]=4 5879 B15R1.110 CC(C)COCCOC[C@@H]1CCC(=O)N1 7a_100000703358_100015189358 [0,2,0,0,0,0|2,0,0]=4 5880 B15R1.110 CC(C)CSCCOCC1CNC(=O)O1 34a_200000230437_100000181169 [0,2,0,0,0,0|2,0,0]=4 5881 B15R1.110 CC(C)CSCCOCC1CNC(=O)O1 7a_200000230437_100000181169 [0,2,0,0,0,0|2,0,0]=4 5882 B15R1.110 CC(C)CSCCOCC1COC(=O)O1 34a_200000230437_100000073702 [0,2,0,0,0,0|2,0,0]=4 5883 B15R1.110 CC(C)CSCCOC[C@@H]1CCC(=O)N1 7a_200000230437_100015189358 [0,2,0,0,0,0|2,0,0]=4 5884 B15R1.110 CC(C)NCCCCOC1COC(=O)O1 34a_100011521146_100000032252 [0,2,0,0,0,0|2,0,0]=4 5885 B15R1.110 CC(C)NCCCOCC1CNC(=O)O1 34a_100000182298_100000181169 [0,2,0,0,0,0|2,0,0]=4 5886 B15R1.110 CC(C)NCCCOCC1COC(=O)O1 34a_100000182298_100000073702 [0,2,0,0,0,0|2,0,0]=4 5887 B15R1.110 CC(C)OCCCNCC1CNC(=O)O1 2230a_100000737246_100000181169 [0,2,0,0,0,0|2,0,0]=4 5888 B15R1.110 CC(C)OCCCNCC1CNC(=O)O1 34a_100000737246_100000181169 [0,2,0,0,0,0|2,0,0]=4 5889 B15R1.110 CC(C)OCCCNCC1COC(=O)O1 34a_100000737246_100000073702 [0,2,0,0,0,0|2,0,0]=4 5890 B15R1.110 CC(C)OCCCNC[C@@H]1CCC(=O)N1 2230a_100000737246_100015189358 [0,2,0,0,0,0|2,0,0]=4 5891 B15R1.110 CC(O)CCCSCCC1COS(=O)O1 62a_200000718107_100009840081 [0,2,0,0,0,0|2,0,0]=4 5892 B15R1.110 CN(C)CCCCSCC1CNC(=O)O1 62a_100000181169_100000690147 [0,2,0,0,0,0|2,0,0]=4 5893 B15R1.110 CN(C)CCCCSCC1COC(=O)O1 62a_100000073702_100000690147 [0,2,0,0,0,0|2,0,0]=4 5894 B15R1.110 CN(C)CCCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000690147 [0,2,0,0,0,0|2,0,0]=4 5895 B15R1.156 CCCCC(C)COCC1CNC(=O)O1 34a_100011995851_100000181169 [0,2,0,0,0,0|1,0,0]=3 5896 B15R1.156 CCCCC(C)COCC1CNC(=O)O1 7a_100011995851_100000181169 [0,2,0,0,0,0|1,0,0]=3 5897 B15R1.156 CCCCC(C)COCC1COC(=O)O1 34a_100011995851_100000073702 [0,2,0,0,0,0|1,0,0]=3 5898 B15R1.156 CCCCC(C)COC[C@@H]1CCC(=O)N1 7a_100011995851_100015189358 [0,2,0,0,0,0|1,0,0]=3 5899 B15R1.156 CCCCC(C)COC[C@H]1COC(=O)N1 34a_100011995851_100015307671 [0,2,0,0,0,0|2,0,0]=4 5900 B15R1.156 CCCCC(C)COC[C@H]1COC(=O)N1 7a_100011995851_100015307671 [0,2,0,0,0,0|2,0,0]=4 5901 B15R1.156 CCCCC(C)OCCC1COS(=O)O1 7a_100000687866_100009840081 [0,2,0,0,0,0|2,0,0]=4 5902 B15R1.156 CCCCC(C)SCCC1COS(=O)O1 62a_200011215066_100009840081 [0,2,0,0,0,0|2,0,0]=4 5903 B15R1.156 CCCC[C@H](N)COCC1CNC(=O)O1 34a_100011934283_100000181169 [0,2,0,0,0,0|1,0,0]=3 5904 B15R1.156 CCCC[C@H](N)COCC1COC(=O)O1 34a_100011934283_100000073702 [0,2,0,0,0,0|1,0,0]=3 5905 B15R1.156 CCCC[C@H](N)COC[C@H]1COC(=O)N1 34a_100011934283_100015307671 [0,2,0,0,0,0|2,0,0]=4 5906 B15R1.156 CCCOC(C)CNCC1CNC(=O)O1 2230a_100015185124_100000181169 [0,2,0,0,0,0|2,0,0]=4 5907 B15R1.156 CCCOC(C)CNCC1CNC(=O)O1 34a_100015185124_100000181169 [0,2,0,0,0,0|2,0,0]=4 5908 B15R1.156 CCCOC(C)CNCC1COC(=O)O1 34a_100015185124_100000073702 [0,2,0,0,0,0|2,0,0]=4 5909 B15R1.156 CCCOC(C)CNC[C@@H]1CCC(=O)N1 2230a_100015185124_100015189358 [0,2,0,0,0,0|2,0,0]=4 5910 B15R1.156 CCOCC(O)CNCC1CNC(=O)O1 2230a_102515437182_100000181169 [0,2,0,0,0,0|2,0,0]=4 5911 B15R1.156 CCOCC(O)CNCC1CNC(=O)O1 34a_102515437182_100000181169 [0,2,0,0,0,0|2,0,0]=4 5912 B15R1.156 CCOCC(O)CNCC1COC(=O)O1 34a_102515437182_100000073702 [0,2,0,0,0,0|2,0,0]=4 5913 B15R1.156 CCOCC(O)CNC[C@@H]1CCC(=O)N1 2230a_102515437182_100015189358 [0,2,0,0,0,0|2,0,0]=4 5914 B15R1.156 CSCC[C@H](N)COCC1CNC(=O)O1 34a_100011827619_100000181169 [0,2,0,0,0,0|2,0,0]=4 5915 B15R1.156 CSCC[C@H](N)COCC1COC(=O)O1 34a_100011827619_100000073702 [0,2,0,0,0,0|2,0,0]=4 5916 B15R1.156 C[C@H](CCCO)CNCC1CNC(=O)O1 2230a_100160569302_100000181169 [0,2,0,0,0,0|2,0,0]=4 5917 B15R1.156 C[C@H](CCCO)CNCC1CNC(=O)O1 34a_100160569302_100000181169 [0,2,0,0,0,0|2,0,0]=4 5918 B15R1.156 C[C@H](CCCO)CNCC1COC(=O)O1 34a_100160569302_100000073702 [0,2,0,0,0,0|2,0,0]=4 5919 B15R1.156 C[C@H](CCCO)CNC[C@@H]1CCC(=O)N1 2230a_100160569302_100015189358 [0,2,0,0,0,0|2,0,0]=4 5920 B15R1.777 CCCC(C)CCCOC1COC(=O)O1 34a_100011713154_100000032252 [0,2,0,0,0,0|1,0,0]=3 5921 B15R1.777 CCCC(C)CCOCC1CNC(=O)O1 34a_100011217855_100000181169 [0,2,0,0,0,0|1,0,0]=3 5922 B15R1.777 CCCC(C)CCOCC1CNC(=O)O1 7a_100011217855_100000181169 [0,2,0,0,0,0|1,0,0]=3 5923 B15R1.777 CCCC(C)CCOCC1COC(=O)O1 34a_100011217855_100000073702 [0,2,0,0,0,0|1,0,0]=3 5924 B15R1.777 CCCC(C)CCOC[C@@H]1CCC(=O)N1 7a_100011217855_100015189358 [0,2,0,0,0,0|1,0,0]=3 5925 B15R1.777 CCCC(C)CCOC[C@H]1COC(=O)N1 34a_100011217855_100015307671 [0,2,0,0,0,0|2,0,0]=4 5926 B15R1.777 CCCC(C)CCOC[C@H]1COC(=O)N1 7a_100011217855_100015307671 [0,2,0,0,0,0|2,0,0]=4 5927 B15R1.777 CCCC(C)COCCC1COS(=O)O1 7a_100000688023_100009840081 [0,2,0,0,0,0|2,0,0]=4 5928 B15R1.777 CCCC(C)CSCCC1COS(=O)O1 62a_100011216630_100009840081 [0,2,0,0,0,0|2,0,0]=4 5929 B15R1.777 CCC[C@H](N)CCOCC1CNC(=O)O1 34a_100015193777_100000181169 [0,2,0,0,0,0|1,0,0]=3 5930 B15R1.777 CCC[C@H](N)CCOCC1COC(=O)O1 34a_100015193777_100000073702 [0,2,0,0,0,0|1,0,0]=3 5931 B15R1.777 CCC[C@H](N)CCOC[C@H]1COC(=O)N1 34a_100015193777_100015307671 [0,2,0,0,0,0|2,0,0]=4 5932 B15R1.961 CCC(C)CCCOCC1CNC(=O)O1 7a_100011216074_100000181169 [0,2,0,0,0,0|1,0,0]=3 5933 B15R1.961 CCC(C)CCCOC[C@@H]1CCC(=O)N1 7a_100011216074_100015189358 [0,2,0,0,0,0|1,0,0]=3 5934 B15R1.961 CCC(C)CCCOC[C@H]1COC(=O)N1 7a_100011216074_100015307671 [0,2,0,0,0,0|2,0,0]=4 5935 B15R1.961 CCC(C)CCOCCC1COS(=O)O1 7a_100011215188_100009840081 [0,2,0,0,0,0|2,0,0]=4 5936 B15R1.961 CCN(C)CCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100015186262 [0,2,0,0,0,0|2,0,0]=4 5937 B15R1.961 CCN(C)CCCSCC1CNC(=O)O1 62a_100000181169_100015186262 [0,2,0,0,0,0|2,0,0]=4 5938 B15R1.961 CCN(C)CCCSCC1COC(=O)O1 62a_100000073702_100015186262 [0,2,0,0,0,0|2,0,0]=4 5939 B15R1.961 CCN(C)CCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100015186262 [0,2,0,0,0,0|2,0,0]=4 5940 B15R1.961 C[C@@H](CN)CCCOCC1CNC(=O)O1 34a_100160569302_100000181169 [0,2,0,0,0,0|2,0,0]=4 5941 B15R1.961 C[C@@H](CN)CCCOCC1COC(=O)O1 34a_100160569302_100000073702 [0,2,0,0,0,0|2,0,0]=4 5942 B15R1.5366 CCCCCCCNC1C=C(C(=O)O1)C 2230a_100000229938_200009893386 [0,2,0,0,0,0|0,0,2]=4 5943 B15R1.5366 CCCCCCCNC1CC(=O)N(C1)C 2230a_100000748898_100000210681 [0,2,0,0,0,0|2,0,0]=4 5944 B15R1.5366 CCCCCCCNC1CC(=O)N(C1)C 34a_100000748898_100000210614 [0,2,0,0,0,0|2,0,0]=4 5945 B15R1.5366 CCCCCCCSC1C=C(C(=O)O1)C 62a_100000210614_200009893386 [0,2,0,0,0,0|0,0,2]=4 5946 B15R1.5366 CCCCCCCSC1C=C(C(=O)O1)C 62a_200009893386_100000210316 [0,2,0,0,0,0|0,0,2]=4 5947 B15R1.5366 CCCCCCOCC1CC(=O)N(C1)C 34a_100015185614_100000210314 [0,2,0,0,0,0|2,0,0]=4 5948 B15R1.9280 CCCCCCCNC1CCS(=O)(=O)C1 2230a_100000683523_100000210681 [0,2,0,0,0,0|2,0,0]=4 5949 B15R1.9280 CCCCCCCNC1CCS(=O)(=O)C1 34a_100000683523_100000210614 [0,2,0,0,0,0|2,0,0]=4 5950 B15R1.9280 CCCCCCCOC1CCS(=O)(=O)C1 34a_100000186101_100000210614 [0,2,0,0,0,0|2,0,0]=4 5951 B15R1.9280 CCCCCCCOC1CCS(=O)(=O)C1 7a_100000186101_100000210614 [0,2,0,0,0,0|2,0,0]=4 5952 B15R1.9280 CCCCCCNCC1CCS(=O)(=O)C1 2230a_100000737051_100000210314 [0,2,0,0,0,0|2,0,0]=4 5953 B15R1.9280 CCCCCCNCC1CCS(=O)(=O)C1 34a_100000737051_100000210314 [0,2,0,0,0,0|2,0,0]=4 5954 B15R1.109 CC(C)C[C@H](N)CCOC1COC(=O)O1 34a_100161151251_100000032252 [0,2,0,0,0,0|2,0,0]=4 5955 B15R1.109 CC(C)C[C@H](N)COCC1CNC(=O)O1 34a_100011830311_100000181169 [0,2,0,0,0,0|2,0,0]=4 5956 B15R1.109 CC(C)C[C@H](N)COCC1COC(=O)O1 34a_100011830311_100000073702 [0,2,0,0,0,0|2,0,0]=4 5957 B15R1.5464 CC(C)CCC(C)NCC1CNC(=O)O1 2230a_100138410893_100000181169 [0,2,0,0,0,0|2,0,0]=4 5958 B15R1.5464 CC(C)CCC(C)NC[C@@H]1CCC(=O)N1 2230a_100138410893_100015189358 [0,2,0,0,0,0|2,0,0]=4 5959 B15R1.5464 CC(C)CCC(C)NC[C@H]1CCC(=O)N1 2230a_100015423886_100011261404 [0,2,0,0,0,0|2,0,0]=4 5960 B15R1.5464 CC(C)CCC(C)NC[C@H]1CCC(=O)N1 270004a_100015423886_100000210476 [0,2,0,0,0,0|2,0,0]=4 5961 B15R1.5464 CC(C)CCC(C)NC[C@H]1CCC(=O)N1 34a_100015423886_100011261404 [0,2,0,0,0,0|2,0,0]=4 5962 B15R1.5464 CC(C)CCC(C)OCC1CCC(=O)N1 34a_100000737831_100011261404 [0,2,0,0,0,0|2,0,0]=4 5963 B15R1.5464 CC(C)CCC(C)OCC1CNC(=O)O1 34a_100011215350_100000181169 [0,2,0,0,0,0|2,0,0]=4 5964 B15R1.5464 CC(C)CCC(C)OCC1CNC(=O)O1 34a_100011315639_100011261404 [0,2,0,0,0,0|2,0,0]=4 5965 B15R1.5464 CC(C)CCC(C)OCC1CNC(=O)O1 7a_100011215350_100000181169 [0,2,0,0,0,0|2,0,0]=4 5966 B15R1.5464 CC(C)CCC(C)OCC1COC(=O)O1 34a_100011215350_100000073702 [0,2,0,0,0,0|2,0,0]=4 5967 B15R1.5464 CC(C)CCC(C)OC[C@@H]1CCC(=O)N1 7a_100011215350_100015189358 [0,2,0,0,0,0|2,0,0]=4 5968 B15R1.5464 CC(C)CCC(C)SCC1CNC(=O)O1 62a_100000181169_100011261404 [0,2,0,0,0,0|2,0,0]=4 5969 B15R1.5464 CC(C)CCC(C)SCC1CNC(=O)O1 62a_100011261404_100000181169 [0,2,0,0,0,0|2,0,0]=4 5970 B15R1.5464 CC(C)CCC(C)SCC1COC(=O)O1 62a_100000073702_100011261404 [0,2,0,0,0,0|2,0,0]=4 5971 B15R1.5464 CC(C)CCC(C)SCC1COC(=O)O1 62a_100011261404_100000073702 [0,2,0,0,0,0|2,0,0]=4 5972 B15R1.5464 CC(C)CCC(C)SC[C@@H]1CCC(=O)N1 62a_100011261404_100015189358 [0,2,0,0,0,0|2,0,0]=4 5973 B15R1.5464 CC(C)CCC(C)SC[C@@H]1CCC(=O)N1 62a_100015189358_100011261404 [0,2,0,0,0,0|2,0,0]=4 5974 B15R1.5465 CC(C)C(N)CCOCC1CNC(=O)O1 34a_100161115045_100000181169 [0,2,0,0,0,0|2,0,0]=4 5975 B15R1.5465 CC(C)C(N)CCOCC1COC(=O)O1 34a_100161115045_100000073702 [0,2,0,0,0,0|2,0,0]=4 5976 B15R1.5468 CC(C)CCCC(=O)CC1CCC(=O)N1 1458a_100000026770_100011214892 [0,2,0,0,0,0|1,0,1]=4 5977 B15R1.5468 CC(C)CCCC(=O)CC1CNC(=O)O1 1458a_100011216857_100000181169 [0,2,0,0,0,0|1,0,1]=4 5978 B15R1.5468 CC(C)CCCC(=O)CC1COC(=O)O1 1458a_100011216857_100000073702 [0,2,0,0,0,0|1,0,1]=4 5979 B15R1.5468 CC(C)CCCC(=O)C[C@@H]1CCC(=O)N1 1458a_100011216857_100015189358 [0,2,0,0,0,0|1,0,1]=4 5980 B15R1.5468 CC(C)CCCC(C)OC1COC(=O)O1 34a_200011218570_100000032252 [0,2,0,0,0,0|2,0,0]=4 5981 B15R1.5468 CC(O)CCCC(=O)CC1CCC(=O)N1 1458a_100000026770_200000718107 [0,2,0,0,0,0|1,0,1]=4 5982 B15R1.5469 CC(C)(O)CCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100009888830 [0,2,0,0,0,0|2,0,0]=4 5983 B15R1.5469 CC(C)(O)CCCNC[C@H]1CCC(=O)N1 34a_100015423886_100009888830 [0,2,0,0,0,0|2,0,0]=4 5984 B15R1.5469 CC(C)(O)CCCOCC1CCC(=O)N1 34a_100000737831_100009888830 [0,2,0,0,0,0|2,0,0]=4 5985 B15R1.5469 CC(C)(O)CCCOCC1CNC(=O)O1 34a_100011315639_100009888830 [0,2,0,0,0,0|2,0,0]=4 5986 B15R1.5469 CC(C)(O)CCCSCC1CNC(=O)O1 62a_100000181169_100009888830 [0,2,0,0,0,0|2,0,0]=4 5987 B15R1.5469 CC(C)(O)CCCSCC1CNC(=O)O1 62a_100009888830_100000181169 [0,2,0,0,0,0|2,0,0]=4 5988 B15R1.5469 CC(C)(O)CCCSCC1COC(=O)O1 62a_100000073702_100009888830 [0,2,0,0,0,0|2,0,0]=4 5989 B15R1.5469 CC(C)(O)CCCSCC1COC(=O)O1 62a_100009888830_100000073702 [0,2,0,0,0,0|2,0,0]=4 5990 B15R1.5469 CC(C)(O)CCCSC[C@@H]1CCC(=O)N1 62a_100009888830_100015189358 [0,2,0,0,0,0|2,0,0]=4 5991 B15R1.5469 CC(C)(O)CCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100009888830 [0,2,0,0,0,0|2,0,0]=4 5992 B15R1.550 CCCCC(C)C(=O)CC1CCC(=O)N1 1458a_100000026770_200011215066 [0,2,0,0,0,0|1,0,1]=4 5993 B15R1.550 CCCCC(C)C(=O)CC1CNC(=O)O1 1458a_100000725509_100000181169 [0,2,0,0,0,0|1,0,1]=4 5994 B15R1.550 CCCCC(C)C(=O)CC1COC(=O)O1 1458a_100000725509_100000073702 [0,2,0,0,0,0|1,0,1]=4 5995 B15R1.550 CCCCC(C)C(=O)C[C@@H]1CCC(=O)N1 1458a_100000725509_100015189358 [0,2,0,0,0,0|1,0,1]=4 5996 B15R1.550 CCCCC(O)C(=O)CC1CNC(=O)O1 1458a_100000720857_100000181169 [0,2,0,0,0,0|1,0,1]=4 5997 B15R1.550 CCCCC(O)C(=O)CC1COC(=O)O1 1458a_100000720857_100000073702 [0,2,0,0,0,0|1,0,1]=4 5998 B15R1.550 CCCCC(O)C(=O)C[C@@H]1CCC(=O)N1 1458a_100000720857_100015189358 [0,2,0,0,0,0|1,0,1]=4 5999 B15R1.740 CCC(C)CC(C)NCC1CNC(=O)O1 2230a_100000763565_100000181169 [0,2,0,0,0,0|2,0,0]=4 6000 B15R1.740 CCC(C)CC(C)NC[C@@H]1CCC(=O)N1 2230a_100000763565_100015189358 [0,2,0,0,0,0|2,0,0]=4 6001 B15R1.740 CCC(C)CC(C)NC[C@H]1CCC(=O)N1 270004a_100015423886_100011710205 [0,2,0,0,0,0|2,0,0]=4 6002 B15R1.825 CCCC(C)C(C)NC[C@H]1CCC(=O)N1 270004a_100015423886_100011216282 [0,2,0,0,0,0|2,0,0]=4 6003 B15R1.825 CCCC(C)C(C)OCC1CNC(=O)O1 34a_100000708338_100000181169 [0,2,0,0,0,0|2,0,0]=4 6004 B15R1.825 CCCC(C)C(C)OCC1CNC(=O)O1 7a_100000708338_100000181169 [0,2,0,0,0,0|2,0,0]=4 6005 B15R1.825 CCCC(C)C(C)OCC1COC(=O)O1 34a_100000708338_100000073702 [0,2,0,0,0,0|2,0,0]=4 6006 B15R1.825 CCCC(C)C(C)OC[C@@H]1CCC(=O)N1 7a_100000708338_100015189358 [0,2,0,0,0,0|2,0,0]=4 6007 B15R1.3920 C#CC(CCCC)OCC1CNC(=O)O1 34a_200011217967_100000181169 [0,2,0,0,0,0|2,0,0]=4 6008 B15R1.3920 C#CC(CCCC)OCC1CNC(=O)O1 7a_200011217967_100000181169 [0,2,0,0,0,0|2,0,0]=4 6009 B15R1.3920 C#CC(CCCC)OCC1COC(=O)O1 34a_200011217967_100000073702 [0,2,0,0,0,0|2,0,0]=4 6010 B15R1.3920 C#CC(CCCC)OC[C@@H]1CCC(=O)N1 7a_200011217967_100015189358 [0,2,0,0,0,0|2,0,0]=4 6011 B15R1.3920 C=CC(CCCC)OCC1CNC(=O)O1 34a_200011215037_100000181169 [0,2,0,0,0,0|2,0,0]=4 6012 B15R1.3920 C=CC(CCCC)OCC1CNC(=O)O1 7a_200011215037_100000181169 [0,2,0,0,0,0|2,0,0]=4 6013 B15R1.3920 C=CC(CCCC)OCC1COC(=O)O1 34a_200011215037_100000073702 [0,2,0,0,0,0|2,0,0]=4 6014 B15R1.3920 C=CC(CCCC)OC[C@@H]1CCC(=O)N1 7a_200011215037_100015189358 [0,2,0,0,0,0|2,0,0]=4 6015 B15R1.3920 CCCCC(CC)COC1CCC(=O)C1 34a_100012614533_100000211942 [0,2,0,0,0,0|2,0,0]=4 6016 B15R1.3920 CCCCC(CC)COC1COC(=O)O1 34a_100000210273_100000032252 [0,2,0,0,0,0|2,0,0]=4 6017 B15R1.3920 CCCCC(CC)CSC1COC(=O)O1 62a_100000211942_100000032252 [0,2,0,0,0,0|2,0,0]=4 6018 B15R1.3920 CCCCC(CC)NC[C@H]1CCC(=O)N1 270004a_100015423886_100000753412 [0,2,0,0,0,0|2,0,0]=4 6019 B15R1.3920 CCCCC(CC)NC[C@H]1CCC(=O)N1 34a_100015423886_200011216223 [0,2,0,0,0,0|2,0,0]=4 6020 B15R1.3920 CCCCC(CC)OCC1CCC(=O)N1 34a_100000737831_200011216223 [0,2,0,0,0,0|2,0,0]=4 6021 B15R1.3920 CCCCC(CC)OCC1CNC(=O)O1 34a_100011215227_100000181169 [0,2,0,0,0,0|2,0,0]=4 6022 B15R1.3920 CCCCC(CC)OCC1CNC(=O)O1 34a_100011315639_200011216223 [0,2,0,0,0,0|2,0,0]=4 6023 B15R1.3920 CCCCC(CC)OCC1CNC(=O)O1 7a_100011215227_100000181169 [0,2,0,0,0,0|2,0,0]=4 6024 B15R1.3920 CCCCC(CC)OCC1COC(=O)O1 34a_100011215227_100000073702 [0,2,0,0,0,0|2,0,0]=4 6025 B15R1.3920 CCCCC(CC)OC[C@@H]1CCC(=O)N1 7a_100011215227_100015189358 [0,2,0,0,0,0|2,0,0]=4 6026 B15R1.3920 CCCCC(CC)SCC1CNC(=O)O1 62a_100000181169_200011216223 [0,2,0,0,0,0|2,0,0]=4 6027 B15R1.3920 CCCCC(CC)SCC1CNC(=O)O1 62a_200011216223_100000181169 [0,2,0,0,0,0|2,0,0]=4 6028 B15R1.3920 CCCCC(CC)SCC1COC(=O)O1 62a_100000073702_200011216223 [0,2,0,0,0,0|2,0,0]=4 6029 B15R1.3920 CCCCC(CC)SCC1COC(=O)O1 62a_200011216223_100000073702 [0,2,0,0,0,0|2,0,0]=4 6030 B15R1.3920 CCCCC(CC)SC[C@@H]1CCC(=O)N1 62a_100015189358_200011216223 [0,2,0,0,0,0|2,0,0]=4 6031 B15R1.3920 CCCCC(CC)SC[C@@H]1CCC(=O)N1 62a_200011216223_100015189358 [0,2,0,0,0,0|2,0,0]=4 6032 B15R1.3920 CCCC[C@@H](CO)NCC1CNC(=O)O1 2230a_100011934283_100000181169 [0,2,0,0,0,0|2,0,0]=4 6033 B15R1.3920 CCCC[C@@H](CO)NCC1CNC(=O)O1 34a_100011934283_100000181169 [0,2,0,0,0,0|2,0,0]=4 6034 B15R1.3920 CCCC[C@@H](CO)NCC1COC(=O)O1 34a_100011934283_100000073702 [0,2,0,0,0,0|2,0,0]=4 6035 B15R1.3920 CCCC[C@@H](CO)NC[C@@H]1CCC(=O)N1 2230a_100011934283_100015189358 [0,2,0,0,0,0|2,0,0]=4 6036 B15R1.5933 CCCCC(C)(C)OCC1CNC(=O)O1 7a_100011219641_100000181169 [0,2,0,0,0,0|2,0,0]=4 6037 B15R1.5933 CCCCC(C)(C)OC[C@@H]1CCC(=O)N1 7a_100011219641_100015189358 [0,2,0,0,0,0|2,0,0]=4 6038 B15R1.808 CCCC(C)CC(=O)CC1CCC(=O)N1 1458a_100000026770_100011216630 [0,2,0,0,0,0|1,0,1]=4 6039 B15R1.808 CCCC(C)CC(=O)CC1CNC(=O)O1 1458a_100000748435_100000181169 [0,2,0,0,0,0|1,0,1]=4 6040 B15R1.808 CCCC(C)CC(=O)CC1COC(=O)O1 1458a_100000748435_100000073702 [0,2,0,0,0,0|1,0,1]=4 6041 B15R1.808 CCCC(C)CC(=O)C[C@@H]1CCC(=O)N1 1458a_100000748435_100015189358 [0,2,0,0,0,0|1,0,1]=4 6042 B15R1.963 CCC(C)CCC(=O)CC1CNC(=O)O1 1458a_100000701222_100000181169 [0,2,0,0,0,0|1,0,1]=4 6043 B15R1.963 CCC(C)CCC(=O)CC1COC(=O)O1 1458a_100000701222_100000073702 [0,2,0,0,0,0|1,0,1]=4 6044 B15R1.963 CCC(C)CCC(=O)C[C@@H]1CCC(=O)N1 1458a_100000701222_100015189358 [0,2,0,0,0,0|1,0,1]=4 6045 B15R1.1034 C#CC(CCCCC)OC1COC(=O)O1 34a_100011216489_100000032252 [0,2,0,0,0,0|2,0,0]=4 6046 B15R1.1034 C=CC(CCCCC)OC1COC(=O)O1 34a_100011216863_100000032252 [0,2,0,0,0,0|2,0,0]=4 6047 B15R1.1034 CCCCCC(CC)OC1COC(=O)O1 34a_100011215405_100000032252 [0,2,0,0,0,0|2,0,0]=4 6048 B15R1.1305 CCCC(CCOC1COC(=O)O1)SC 34a_100000032865_100000032252 [0,2,0,0,0,0|2,0,0]=4 6049 B15R1.9538 CCCC(C)(C)COCC1CNC(=O)O1 7a_100011995695_100000181169 [0,2,0,0,0,0|2,0,0]=4 6050 B15R1.9538 CCCC(C)(C)COC[C@@H]1CCC(=O)N1 7a_100011995695_100015189358 [0,2,0,0,0,0|2,0,0]=4 6051 B13R1.201 CC(=O)OC(C)N1CCCCC1C 269982a_100000211376_100009818208 [0,0,1,1,0,0|1,0,0]=3 6052 B13R1.201 CC(=O)OC(C)N1CCOC[C@@H]1C 269982a_100009815349_100009818208 [0,0,1,1,0,0|2,0,0]=4 6053 B13R1.282 CC(=O)OC(C)S[C@@H]1CCC[C@H]1O 62a_100009818208_200016002552 [0,0,1,1,0,0|2,0,0]=4 6054 B13R1.282 CC(=O)OC(C)S[C@@H]1CCC[C@H]1O 62a_200016002552_100009818208 [0,0,1,1,0,0|2,0,0]=4 6055 B13R1.348 CC(=O)NC(C)CN1CCCCC1 11a_100000738326_100015343762 [0,0,1,1,0,0|2,0,0]=4 6056 B13R1.348 CC(=O)NC(C)CN1CCCCC1 1626a_100000738326_100015343762 [0,0,1,1,0,0|2,0,0]=4 6057 B13R1.348 CC(=O)NC(C)CN1CCCCC1 240690a_100000738326_100015343762 [0,0,1,1,0,0|2,0,0]=4 6058 B13R1.348 CC(=O)NC(C)CN1CCCCC1 527a_100000738326_100103153847 [0,0,1,1,0,0|2,0,0]=4 6059 B13R1.348 CC(=O)OC(C)SC1CCCCC1 62a_100000210327_100009818208 [0,0,1,1,0,0|1,0,0]=3 6060 B13R1.348 CC(=O)OC(C)SC1CCCCC1 62a_100009818208_100000210327 [0,0,1,1,0,0|1,0,0]=3 6061 B13R1.348 CC(=O)OC(C)SC1CCCOC1 62a_100009818208_100000693364 [0,0,1,1,0,0|2,0,0]=4 6062 B13R1.348 CC(=O)OC(C)SC1CCOCC1 62a_100009818208_100011324220 [0,0,1,1,0,0|2,0,0]=4 6063 B13R1.348 CC(=O)OC(C)SC1CCSCC1 62a_100009818208_100000069128 [0,0,1,1,0,0|2,0,0]=4 6064 B13R1.373 CCCN1CCCC(C1)NC(=O)C 11a_100011435248_100015343762 [0,0,1,1,0,0|2,0,0]=4 6065 B13R1.373 CCCN1CCCC(C1)NC(=O)C 1626a_100011435248_100015343762 [0,0,1,1,0,0|2,0,0]=4 6066 B13R1.373 CCCN1CCCC(C1)NC(=O)C 2230a_106657272119_100000210303 [0,0,1,1,0,0|2,0,0]=4 6067 B13R1.373 CCCN1CCCC(C1)NC(=O)C 240690a_100011435248_100015343762 [0,0,1,1,0,0|2,0,0]=4 6068 B13R1.373 CCCN1CCCC(C1)NC(=O)C 269982a_106657272119_100000210303 [0,0,1,1,0,0|2,0,0]=4 6069 B13R1.373 CCCN1CCCC(C1)NC(=O)C 527a_100011435248_100103153847 [0,0,1,1,0,0|2,0,0]=4 6070 B13R1.498 CCCCN1CC[C@@H](C1)NC(=O)C 2230a_100016989438_100000210211 [0,0,1,1,0,0|2,0,0]=4 6071 B13R1.498 CCCCN1CC[C@@H](C1)NC(=O)C 269982a_100016989438_100000210211 [0,0,1,1,0,0|2,0,0]=4 6072 B13R1.593 CC(=O)OC(C)SCC1CCCC1 62a_100000740388_100009818208 [0,0,1,1,0,0|1,0,0]=3 6073 B13R1.593 CC(=O)OC(C)SCC1CCCC1 62a_100009818208_100000740388 [0,0,1,1,0,0|1,0,0]=3 6074 B13R1.593 CC(=O)OC(C)SCC1CCCO1 62a_100000203698_100009818208 [0,0,1,1,0,0|2,0,0]=4 6075 B13R1.593 CC(=O)OC(C)SCC1CCCO1 62a_100009818208_100000203698 [0,0,1,1,0,0|2,0,0]=4 6076 B13R1.593 CC(=O)OC(C)SCC1CCOC1 62a_100000702531_100009818208 [0,0,1,1,0,0|2,0,0]=4 6077 B13R1.593 CC(=O)OC(C)SCC1CCOC1 62a_100009818208_100000702531 [0,0,1,1,0,0|2,0,0]=4 6078 B13R1.1154 CC(=O)OC1CN(C1)CCCCF 269982a_100016994906_100000729493 [0,0,1,1,0,0|2,0,0]=4 6079 B13R1.1154 CC(=O)OC1CN(C1)CCCCO 269982a_100016994906_100000210776 [0,0,1,1,0,0|2,0,0]=4 6080 B13R1.1154 CCCCCN1CC(C1)OC(=O)C 269982a_100016994906_100000210215 [0,0,1,1,0,0|1,0,0]=3 6081 B13R1.1154 CCOCCN1CC(C1)OC(=O)C 269982a_100016994906_100011215890 [0,0,1,1,0,0|2,0,0]=4 6082 B13R1.1154 CCSCCN1CC(C1)OC(=O)C 269982a_100016994906_100000757381 [0,0,1,1,0,0|2,0,0]=4 6083 B13R1.1154 COCCCN1CC(C1)OC(=O)C 269982a_100016994906_100000740836 [0,0,1,1,0,0|2,0,0]=4 6084 B13R1.2028 CC(=O)OC(C)SCCCC1CO1 62a_100000733510_100009818208 [0,0,1,1,0,0|2,0,0]=4 6085 B13R1.2028 CC(=O)OC(C)SCCCC1CO1 62a_100009818208_100000733510 [0,0,1,1,0,0|2,0,0]=4 6086 B13R1.2800 CC(=O)OC(C)N1CCC[C@@H]1CO 269982a_100000745186_100009818208 [0,0,1,1,0,0|2,0,0]=4 6087 B13R1.2800 CCC1CCCN1C(C)OC(=O)C 269982a_100000754278_100009818208 [0,0,1,1,0,0|1,0,0]=3 6088 B13R1.2884 COCC1CCN1C(C)OC(=O)C 269982a_100015195929_100009818208 [0,0,1,1,0,0|2,0,0]=4 6089 B13R1.3574 CCCCCCCC(C)OC1CC1 34a_200011215852_100000211595 [0,0,1,1,0,0|1,0,1]=4 6090 B13R1.7456 CC(=O)CC(C)N1CCCCCC1 1458a_100015185830_200000210301 [0,0,1,1,0,0|2,0,0]=4 6091 B13R1.7456 CC(=O)OC(C)N1CCCCCC1 269982a_100000185865_100009818208 [0,0,1,1,0,0|1,0,0]=3 6092 B13R1.7456 CC(=O)OC(C)N1CCCOCC1 269982a_100000685342_100009818208 [0,0,1,1,0,0|2,0,0]=4 6093 B13R1.7456 CC(CC(=O)[13CH3])N1CCCCCC1 1458a_100015185830_200025704644 [0,0,1,1,0,0|2,0,0]=4 6094 B13R1.28 CCCCCOCC1CCC=CO1 34a_100011217868_100000718602 [0,0,1,1,0,0|2,0,0]=4 6095 B13R1.77 CCCCC1CCC(CC1)OCC 34a_200000035503_100000210202 [0,0,1,1,0,0|1,0,1]=4 6096 B13R1.77 CCCCC1CCC(CC1)OCC 7a_200000035503_100000210202 [0,0,1,1,0,0|1,0,1]=4 6097 B13R1.77 CCCCC1CCC(CC1)OCF 34a_200000035503_100015361967 [0,0,1,1,0,0|1,0,1]=4 6098 B13R1.77 CCCCC1CCC(CC1)OCF 7a_200000035503_100015361967 [0,0,1,1,0,0|1,0,1]=4 6099 B13R1.77 CCCCC1CCN(CC1)CC=O 2230a_200016987432_200015260668 [0,0,1,1,0,0|2,0,0]=4 6100 B13R1.77 CCCCC1CCN(CC1)CC=O 269982a_200016987432_200015260668 [0,0,1,1,0,0|2,0,0]=4 6101 B13R1.77 CCCCC1CCN(CC1)CC=O 34a_200016987432_200009817547 [0,0,1,1,0,0|2,0,0]=4 6102 B13R1.3613 CCN(CC=O)C1CCCCCC1 2230a_114901603759_200015260668 [0,0,1,1,0,0|2,0,0]=4 6103 B13R1.3613 CCN(CC=O)C1CCCCCC1 269982a_114901603759_200015260668 [0,0,1,1,0,0|2,0,0]=4 6104 B13R1.3613 CCN(CC=O)C1CCCCCC1 34a_114901603759_200009817547 [0,0,1,1,0,0|2,0,0]=4 6105 B13R1.6 CCCCCOC1CCCC(=O)C1 34a_100012613340_100000718602 [0,0,1,1,0,0|2,0,0]=4 6106 B13R1.6 CCCCOCC1CCCC(=O)N1 34a_200000102386_100000210210 [0,0,1,1,0,0|2,0,0]=4 6107 B13R1.90 CCC1CCCCC1OCC(=O)N 34a_100000210738_100000187820 [0,0,1,1,0,0|2,0,0]=4 6108 B13R1.90 CCC1CCCCC1OCC(=O)N 7a_100000210738_100000187820 [0,0,1,1,0,0|2,0,0]=4 6109 B13R1.90 CCC1CCCCC1OCC(=O)[O-] 34a_100000210738_100020667443 [0,0,1,1,0,0|1,0,1]=4 6110 B13R1.90 CCC1CCCCN1CCC(=O)C 269982a_100000210034_100000053229 [0,0,1,1,0,0|2,0,0]=4 6111 B13R1.90 CCC1CCCCN1CCC(=O)N 2230a_100000210034_100000744528 [0,0,1,1,0,0|2,0,0]=4 6112 B13R1.90 CCC1CCCCN1CCC(=O)N 269982a_100000210034_100000744528 [0,0,1,1,0,0|2,0,0]=4 6113 B13R1.90 CCC1CCCCN1CCC(=O)N 34a_100000210034_100000731001 [0,0,1,1,0,0|2,0,0]=4 6114 B13R1.90 CCN1CCCCC1CCC(=O)O 269956a_100000694054_100000210202 [0,0,1,1,0,0|1,0,0]=3 6115 B13R1.90 O=C(O)CCC1CCCCN1CF 269956a_100000694054_100015361967 [0,0,1,1,0,0|2,0,0]=4 6116 B13R1.103 CCC1CCCC1NCCC(=O)N 269862a_100000740010_100000749056 [0,0,1,1,0,0|2,0,0]=4 6117 B13R1.103 CCC1CCCN1CCCC(=O)C 269982a_100000754278_100011215641 [0,0,1,1,0,0|2,0,0]=4 6118 B13R1.103 CCC1CCCN1CCCC(=O)C 34a_100000754278_100000685027 [0,0,1,1,0,0|2,0,0]=4 6119 B13R1.103 CCC1CCCN1CCCC(=O)N 269982a_100000754278_100102525003 [0,0,1,1,0,0|2,0,0]=4 6120 B13R1.103 CCC1CCCN1CCCC(=O)N 34a_100000754278_100102525003 [0,0,1,1,0,0|2,0,0]=4 6121 B13R1.158 CC(=O)CCCN1CCCCC1C 269982a_100000211376_100011215641 [0,0,1,1,0,0|2,0,0]=4 6122 B13R1.158 CC(=O)CCCN1CCCCC1C 34a_100000211376_100000685027 [0,0,1,1,0,0|2,0,0]=4 6123 B13R1.158 CC(=O)CCOC1CCCCC1C 7a_100000211207_100000053229 [0,0,1,1,0,0|2,0,0]=4 6124 B13R1.158 CC1CCCCC1NCCC(=O)N 2230a_100000211402_100000744528 [0,0,1,1,0,0|2,0,0]=4 6125 B13R1.158 CC1CCCCC1NCCC(=O)N 269862a_100000740010_100000210921 [0,0,1,1,0,0|2,0,0]=4 6126 B13R1.158 CC1CCCCC1NCCC(=O)N 34a_100000211402_100000731001 [0,0,1,1,0,0|2,0,0]=4 6127 B13R1.158 CC1CCCCC1OCCC(=O)N 34a_100000211207_100000731001 [0,0,1,1,0,0|2,0,0]=4 6128 B13R1.158 CC1CCCCC1OCCC(=O)N 7a_100000211207_100000744528 [0,0,1,1,0,0|2,0,0]=4 6129 B13R1.158 CC1CCCCN1CCCC(=O)N 269982a_100000211376_100102525003 [0,0,1,1,0,0|2,0,0]=4 6130 B13R1.158 CC1CCCCN1CCCC(=O)N 34a_100000211376_100102525003 [0,0,1,1,0,0|2,0,0]=4 6131 B13R1.158 CN1CCCCC1CNCC(=O)O 269956a_100016091260_100015185383 [0,0,1,1,0,0|2,0,0]=4 6132 B13R1.167 CC(=O)CCCCN1CCC[C@@H]1C 269982a_100020605311_100000735457 [0,0,1,1,0,0|2,0,0]=4 6133 B13R1.167 CC(=O)CCCCN1CCC[C@H]1C 269982a_100015189458_100000735457 [0,0,1,1,0,0|2,0,0]=4 6134 B13R1.167 CC(=O)CCCCN1CCC[C@H]1C 34a_100015189458_100009817362 [0,0,1,1,0,0|2,0,0]=4 6135 B13R1.167 CC(=O)CCCOC1CCCC1C 34a_100011216460_100000685027 [0,0,1,1,0,0|2,0,0]=4 6136 B13R1.167 CC(=O)CCCOC1CCCC1C 7a_100011216460_100011215641 [0,0,1,1,0,0|2,0,0]=4 6137 B13R1.167 CC1CCCC1NCCCC(=O)N 269862a_100000739312_100000752053 [0,0,1,1,0,0|2,0,0]=4 6138 B13R1.167 CC1CCCC1OCCCC(=O)N 34a_100011216460_100102525003 [0,0,1,1,0,0|2,0,0]=4 6139 B13R1.167 CC1CCCC1OCCCC(=O)N 7a_100011216460_100102525003 [0,0,1,1,0,0|2,0,0]=4 6140 B13R1.167 CN1CCCC1CCNCC(=O)O 269956a_100016091260_100000005710 [0,0,1,1,0,0|2,0,0]=4 6141 B13R1.198 CC(=O)CCCCOCC1CC1C 34a_100000744939_100009817362 [0,0,1,1,0,0|2,0,0]=4 6142 B13R1.198 CC(=O)CCCCOCC1CC1C 7a_100000744939_100000735457 [0,0,1,1,0,0|2,0,0]=4 6143 B13R1.224 CCCN1CCCCCC1C(=O)O 269956a_100000758484_100000210207 [0,0,1,1,0,0|1,0,0]=3 6144 B13R1.224 COCN1CCCCCC1C(=O)O 269956a_100000758484_100000766300 [0,0,1,1,0,0|2,0,0]=4 6145 B13R1.224 CSCN1CCCCCC1C(=O)O 269956a_100000758484_100011218213 [0,0,1,1,0,0|2,0,0]=4 6146 B13R1.224 O=C(O)C1CCCCCN1CCF 269956a_100000758484_100011217306 [0,0,1,1,0,0|2,0,0]=4 6147 B13R1.224 O=C(O)C1CCCCCN1CCO 269956a_100000758484_100000211926 [0,0,1,1,0,0|2,0,0]=4 6148 B13R1.337 CC(=O)CCCCC1CCCCC1 1458a_200011215547_200000210301 [0,0,1,1,0,0|1,0,0]=3 6149 B13R1.337 CC(=O)CCCCN1CCCCC1 1458a_100000754417_200000210301 [0,0,1,1,0,0|2,0,0]=4 6150 B13R1.337 CC(=O)CCCNC1CCCCC1 34a_100000182618_100000685027 [0,0,1,1,0,0|2,0,0]=4 6151 B13R1.337 CC(=O)CCCOC1CCCCC1 34a_100000210231_100000685027 [0,0,1,1,0,0|2,0,0]=4 6152 B13R1.337 CC(=O)CCCOC1CCCCC1 34a_100000759063_100000210327 [0,0,1,1,0,0|2,0,0]=4 6153 B13R1.337 CC(=O)CCCOC1CCCCC1 7a_100000210231_100011215641 [0,0,1,1,0,0|2,0,0]=4 6154 B13R1.337 CC(=O)CCCOC1CCCCC1 7a_100000759063_100000210327 [0,0,1,1,0,0|2,0,0]=4 6155 B13R1.337 CC(=O)CCCSC1CCCCC1 62a_100000210327_100011215641 [0,0,1,1,0,0|2,0,0]=4 6156 B13R1.337 CC(=O)CCCSC1CCCCC1 62a_100011215641_100000210327 [0,0,1,1,0,0|2,0,0]=4 6157 B13R1.337 CC(=O)CCOCC1CCCCC1 34a_100000759926_100000211423 [0,0,1,1,0,0|2,0,0]=4 6158 B13R1.337 CC(=O)CCOCC1CCCCC1 7a_100000212181_100000053229 [0,0,1,1,0,0|2,0,0]=4 6159 B13R1.337 CC(=O)CCOCC1CCCCC1 7a_100000759926_100000211423 [0,0,1,1,0,0|2,0,0]=4 6160 B13R1.337 CC(=O)CCSCC1CCCCC1 62a_100000053229_100000211423 [0,0,1,1,0,0|2,0,0]=4 6161 B13R1.337 CC(=O)CCSCC1CCCCC1 62a_100000211423_100000053229 [0,0,1,1,0,0|2,0,0]=4 6162 B13R1.337 CC(=O)COCCC1CCCCC1 34a_100000211253_100011209188 [0,0,1,1,0,0|2,0,0]=4 6163 B13R1.337 CC(=O)NCCCC1CCCCC1 11a_100011211642_100015343762 [0,0,1,1,0,0|2,0,0]=4 6164 B13R1.337 CC(=O)NCCCC1CCCCC1 1626a_100011211642_100015343762 [0,0,1,1,0,0|2,0,0]=4 6165 B13R1.337 CC(=O)NCCCC1CCCCC1 240690a_100011211642_100015343762 [0,0,1,1,0,0|2,0,0]=4 6166 B13R1.337 CC(=O)NCCCC1CCCCC1 527a_100011211642_100103153847 [0,0,1,1,0,0|2,0,0]=4 6167 B13R1.337 NC(=O)CCCNC1CCCCC1 34a_100000182618_100102525003 [0,0,1,1,0,0|2,0,0]=4 6168 B13R1.337 NC(=O)CCCNC1CCCCC1 34a_100000739312_100000210327 [0,0,1,1,0,0|2,0,0]=4 6169 B13R1.337 NC(=O)CCCOC1CCCCC1 34a_100000210231_100102525003 [0,0,1,1,0,0|2,0,0]=4 6170 B13R1.337 NC(=O)CCCOC1CCCCC1 7a_100000210231_100102525003 [0,0,1,1,0,0|2,0,0]=4 6171 B13R1.337 NC(=O)CCCSC1CCCCC1 62a_100000210327_100102525003 [0,0,1,1,0,0|2,0,0]=4 6172 B13R1.337 NC(=O)CCCSC1CCCCC1 62a_100102525003_100000210327 [0,0,1,1,0,0|2,0,0]=4 6173 B13R1.337 NC(=O)CCNCC1CCCCC1 2230a_100000210473_100000744528 [0,0,1,1,0,0|2,0,0]=4 6174 B13R1.337 NC(=O)CCNCC1CCCCC1 269862a_100000740010_100000211278 [0,0,1,1,0,0|2,0,0]=4 6175 B13R1.337 NC(=O)CCNCC1CCCCC1 34a_100000210473_100000731001 [0,0,1,1,0,0|2,0,0]=4 6176 B13R1.337 NC(=O)CCOCC1CCCCC1 34a_100000212181_100000731001 [0,0,1,1,0,0|2,0,0]=4 6177 B13R1.337 NC(=O)CCOCC1CCCCC1 34a_100000757172_100000211423 [0,0,1,1,0,0|2,0,0]=4 6178 B13R1.337 NC(=O)CCOCC1CCCCC1 7a_100000212181_100000744528 [0,0,1,1,0,0|2,0,0]=4 6179 B13R1.337 NC(=O)CCOCC1CCCCC1 7a_100000757172_100000211423 [0,0,1,1,0,0|2,0,0]=4 6180 B13R1.337 NC(=O)CCSCC1CCCCC1 62a_100000211423_100000744528 [0,0,1,1,0,0|2,0,0]=4 6181 B13R1.337 NC(=O)CCSCC1CCCCC1 62a_100000744528_100000211423 [0,0,1,1,0,0|2,0,0]=4 6182 B13R1.337 NC(=O)CNCCC1CCCCC1 2230a_100000711301_100012355289 [0,0,1,1,0,0|2,0,0]=4 6183 B13R1.337 NC(=O)CNCCC1CCCCC1 2230a_100000738074_100000747473 [0,0,1,1,0,0|2,0,0]=4 6184 B13R1.337 NC(=O)CNCCC1CCCCC1 34a_100000738074_100000187820 [0,0,1,1,0,0|2,0,0]=4 6185 B13R1.337 NC(=O)COCCC1CCCCC1 34a_100011217863_100000187820 [0,0,1,1,0,0|2,0,0]=4 6186 B13R1.337 NC(=O)COCCC1CCCCC1 7a_100011217863_100000187820 [0,0,1,1,0,0|2,0,0]=4 6187 B13R1.337 NC(=O)CSCCC1CCCCC1 62a_100000747473_100012355289 [0,0,1,1,0,0|2,0,0]=4 6188 B13R1.337 NC(=O)CSCCC1CCCCC1 62a_100012355289_100000747473 [0,0,1,1,0,0|2,0,0]=4 6189 B13R1.337 O=C(O)CNCCC1CCCCC1 269956a_100016091260_100011273959 [0,0,1,1,0,0|1,0,0]=3 6190 B13R1.337 O=C(O)CNCCC1CCOCC1 269956a_100016091260_100011934994 [0,0,1,1,0,0|2,0,0]=4 6191 B13R1.337 O=C(O)CNCCN1CCCCC1 269956a_100016091260_100000739454 [0,0,1,1,0,0|2,0,0]=4 6192 B13R1.337 O=C(O)CNCOC1CCCCC1 269956a_100016091260_100011935260 [0,0,1,1,0,0|2,0,0]=4 6193 B13R1.337 O=C(O)CONCC1CCCCC1 269956a_100000106656_100000211423 [0,0,1,1,0,0|2,0,0]=4 6194 B13R1.337 O=C([O-])CNCCC1CCCCC1 34a_100000738074_100020667443 [0,0,1,1,0,0|1,0,1]=4 6195 B13R1.337 O=C([O-])COCCC1CCCCC1 34a_100011217863_100020667443 [0,0,1,1,0,0|1,0,1]=4 6196 B13R1.337 O=C([O-])CSCCC1CCCCC1 62a_100012355289_100020667443 [0,0,1,1,0,0|1,0,1]=4 6197 B13R1.337 O=C([O-])CSCCC1CCCCC1 62a_100020667443_100012355289 [0,0,1,1,0,0|1,0,1]=4 6198 B13R1.337 [13CH3]C(=O)CCCCC1CCCCC1 1458a_200011215547_200025704644 [0,0,1,1,0,0|1,0,0]=3 6199 B13R1.337 [13CH3]C(=O)CCCCN1CCCCC1 1458a_100000754417_200025704644 [0,0,1,1,0,0|2,0,0]=4 6200 B13R1.380 CCCC1CCCCN1CC(=O)N 2230a_100000701414_100000747473 [0,0,1,1,0,0|2,0,0]=4 6201 B13R1.380 CCCC1CCCCN1CC(=O)N 269982a_100000701414_100000187820 [0,0,1,1,0,0|2,0,0]=4 6202 B13R1.380 CCCC1CCCCN1CC(=O)N 34a_100000701414_100000187820 [0,0,1,1,0,0|2,0,0]=4 6203 B13R1.380 CCCC1CCCCN1CC(=O)[O-] 269982a_100000701414_100020667443 [0,0,1,1,0,0|1,0,1]=4 6204 B13R1.380 CCCC1CCCCN1CC(=O)[O-] 34a_100000701414_100020667443 [0,0,1,1,0,0|1,0,1]=4 6205 B13R1.380 CCCN1CCCCC1CC(=O)N 2230a_100015184752_100000210303 [0,0,1,1,0,0|2,0,0]=4 6206 B13R1.380 CCCN1CCCCC1CC(=O)N 269982a_100015184752_100000210303 [0,0,1,1,0,0|2,0,0]=4 6207 B13R1.380 CCCN1CCCCC1CC(=O)N 34a_100015184752_100000210303 [0,0,1,1,0,0|2,0,0]=4 6208 B13R1.572 CCCCN1CCCCC1C(=O)N 2230a_100000181395_100000210211 [0,0,1,1,0,0|2,0,0]=4 6209 B13R1.572 CCCCN1CCCCC1C(=O)N 269982a_100000181395_100000210211 [0,0,1,1,0,0|2,0,0]=4 6210 B13R1.572 CCCCN1CCCCC1C(=O)N 34a_100000181395_100000210210 [0,0,1,1,0,0|2,0,0]=4 6211 B13R1.572 CCCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000210211 [0,0,1,1,0,0|1,0,0]=3 6212 B13R1.572 CCCCN1CCOC[C@@H]1C(=O)O 269956a_100016993156_100000210211 [0,0,1,1,0,0|2,0,0]=4 6213 B13R1.572 CCCCN1CCSCC1C(=O)O 269956a_100011346106_100000210211 [0,0,1,1,0,0|2,0,0]=4 6214 B13R1.572 CCCCN1CSCCC1C(=O)O 269956a_100015185162_100000210211 [0,0,1,1,0,0|2,0,0]=4 6215 B13R1.572 CCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000210207 [0,0,1,1,0,0|1,0,0]=3 6216 B13R1.572 CCOCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000739092 [0,0,1,1,0,0|2,0,0]=4 6217 B13R1.572 COCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000233755 [0,0,1,1,0,0|2,0,0]=4 6218 B13R1.572 COCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000766300 [0,0,1,1,0,0|2,0,0]=4 6219 B13R1.572 CSCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000212216 [0,0,1,1,0,0|2,0,0]=4 6220 B13R1.572 CSCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100011218213 [0,0,1,1,0,0|2,0,0]=4 6221 B13R1.572 O=C(O)[C@@H]1CCCC[C@H]1NCCF 269956a_100009816435_100011217306 [0,0,1,1,0,0|2,0,0]=4 6222 B13R1.572 O=C(O)[C@@H]1CCCC[C@H]1NCCO 269956a_100009816435_100000211926 [0,0,1,1,0,0|2,0,0]=4 6223 B13R1.572 O=C(O)[C@H]1CCCCN1CCCF 269956a_100000763471_100011934791 [0,0,1,1,0,0|2,0,0]=4 6224 B13R1.572 O=C(O)[C@H]1CCCCN1CCCO 269956a_100000763471_100011215043 [0,0,1,1,0,0|2,0,0]=4 6225 B13R1.586 CC(=O)CCCCNCC1CCC1 34a_100000738700_100009817362 [0,0,1,1,0,0|2,0,0]=4 6226 B13R1.586 CC(=O)CCCCOCC1CCC1 34a_100000760304_100009817362 [0,0,1,1,0,0|2,0,0]=4 6227 B13R1.586 CC(=O)CCCCSCC1CCC1 62a_100000735457_100000763275 [0,0,1,1,0,0|2,0,0]=4 6228 B13R1.586 CC(=O)CCCCSCC1CCC1 62a_100000763275_100000735457 [0,0,1,1,0,0|2,0,0]=4 6229 B13R1.586 NC(=O)CCCCCNC1CCC1 2230a_100000749019_100009817443 [0,0,1,1,0,0|2,0,0]=4 6230 B13R1.586 NC(=O)CCCCCNC1CCC1 34a_100000749019_100009817443 [0,0,1,1,0,0|2,0,0]=4 6231 B13R1.586 NC(=O)CCCCCOC1CCC1 34a_100000123541_100000749161 [0,0,1,1,0,0|2,0,0]=4 6232 B13R1.586 NC(=O)CCCCCOC1CCC1 34a_100000748187_100009817443 [0,0,1,1,0,0|2,0,0]=4 6233 B13R1.586 NC(=O)CCCCCSC1CCC1 62a_100009817443_100000749161 [0,0,1,1,0,0|2,0,0]=4 6234 B13R1.586 NC(=O)CCCCNCC1CCC1 269862a_100000696515_100000753134 [0,0,1,1,0,0|2,0,0]=4 6235 B13R1.586 NC(=O)CCCCNCC1CCC1 34a_100000696515_100000763275 [0,0,1,1,0,0|2,0,0]=4 6236 B13R1.586 NC(=O)CCCCOCC1CCC1 34a_100012022536_100000763275 [0,0,1,1,0,0|2,0,0]=4 6237 B13R1.586 NC(=O)CCCCOCC1CCC1 7a_100012022536_100000763275 [0,0,1,1,0,0|2,0,0]=4 6238 B13R1.586 O=C(O)COCCNCC1CCC1 269956a_100000700818_100000763275 [0,0,1,1,0,0|2,0,0]=4 6239 B13R1.614 CN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_200000210301 [0,0,1,1,0,0|1,0,0]=3 6240 B13R1.614 [13CH3]N[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_200025704644 [0,0,1,1,0,0|1,0,0]=3 6241 B13R1.670 CCCCCN1CCC[C@H]1C(=O)N 2230a_100000003125_100000210326 [0,0,1,1,0,0|2,0,0]=4 6242 B13R1.670 CCCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000210326 [0,0,1,1,0,0|1,0,0]=3 6243 B13R1.670 CCCCCN1CCSC1C(=O)O 269956a_100000035718_100000210326 [0,0,1,1,0,0|2,0,0]=4 6244 B13R1.670 CCCCCN1CSC[C@H]1C(=O)O 269956a_100000743924_100000210326 [0,0,1,1,0,0|2,0,0]=4 6245 B13R1.670 CCOCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000210147 [0,0,1,1,0,0|2,0,0]=4 6246 B13R1.670 CCSCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000757381 [0,0,1,1,0,0|2,0,0]=4 6247 B13R1.670 COCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000740836 [0,0,1,1,0,0|2,0,0]=4 6248 B13R1.670 O=C(O)[C@@H]1CCCN1CCCCF 269956a_100000743916_100000729493 [0,0,1,1,0,0|2,0,0]=4 6249 B13R1.670 O=C(O)[C@@H]1CCCN1CCCCO 269956a_100000743916_100000210776 [0,0,1,1,0,0|2,0,0]=4 6250 B13R1.1022 CC(=O)CCN1CCCCCCC1 1458a_200015187237_200000210301 [0,0,1,1,0,0|2,0,0]=4 6251 B13R1.1022 CC(=O)CCN1CCCCCCC1 269982a_100000211400_100000053229 [0,0,1,1,0,0|2,0,0]=4 6252 B13R1.1022 NC(=O)CCN1CCCCCCC1 2230a_100000211400_100000744528 [0,0,1,1,0,0|2,0,0]=4 6253 B13R1.1022 NC(=O)CCN1CCCCCCC1 269982a_100000211400_100000744528 [0,0,1,1,0,0|2,0,0]=4 6254 B13R1.1022 NC(=O)CCN1CCCCCCC1 34a_100000211400_100000731001 [0,0,1,1,0,0|2,0,0]=4 6255 B13R1.1022 NC(=O)CNC1CCCCCCC1 2230a_100000211152_100000747473 [0,0,1,1,0,0|2,0,0]=4 6256 B13R1.1022 NC(=O)CNC1CCCCCCC1 34a_100000211152_100000187820 [0,0,1,1,0,0|2,0,0]=4 6257 B13R1.1022 NC(=O)COC1CCCCCCC1 34a_100000210054_100000187820 [0,0,1,1,0,0|2,0,0]=4 6258 B13R1.1022 NC(=O)COC1CCCCCCC1 7a_100000210054_100000187820 [0,0,1,1,0,0|2,0,0]=4 6259 B13R1.1022 O=C([O-])CNC1CCCCCCC1 34a_100000211152_100020667443 [0,0,1,1,0,0|1,0,1]=4 6260 B13R1.1022 O=C([O-])COC1CCCCCCC1 34a_100000210054_100020667443 [0,0,1,1,0,0|1,0,1]=4 6261 B13R1.1022 [13CH3]C(=O)CCN1CCCCCCC1 1458a_200015187237_200025704644 [0,0,1,1,0,0|2,0,0]=4 6262 B13R1.1052 CC(=O)CCCCNCCC1CC1 34a_100000764129_100009817362 [0,0,1,1,0,0|2,0,0]=4 6263 B13R1.1052 CC(=O)CCCCOCCC1CC1 34a_100000754188_100009817362 [0,0,1,1,0,0|2,0,0]=4 6264 B13R1.1052 CC(=O)CCCCOCCC1CC1 7a_100000754188_100000735457 [0,0,1,1,0,0|2,0,0]=4 6265 B13R1.1052 CC(=O)CCCCSCCC1CC1 62a_100000735457_100000764125 [0,0,1,1,0,0|2,0,0]=4 6266 B13R1.1052 CC(=O)CCCCSCCC1CC1 62a_100000764125_100000735457 [0,0,1,1,0,0|2,0,0]=4 6267 B13R1.1052 NC(=O)CCCCCNCC1CC1 2230a_100000735609_100009817443 [0,0,1,1,0,0|2,0,0]=4 6268 B13R1.1052 NC(=O)CCCCCNCC1CC1 34a_100000735609_100009817443 [0,0,1,1,0,0|2,0,0]=4 6269 B13R1.1052 NC(=O)CCCCCOCC1CC1 34a_100000123541_100000742324 [0,0,1,1,0,0|2,0,0]=4 6270 B13R1.1052 NC(=O)CCCCCOCC1CC1 34a_100000211283_100009817443 [0,0,1,1,0,0|2,0,0]=4 6271 B13R1.1052 NC(=O)CCCCCOCC1CC1 7a_100000123541_100000742324 [0,0,1,1,0,0|2,0,0]=4 6272 B13R1.1052 NC(=O)CCCCCSCC1CC1 62a_100000756562_100009817443 [0,0,1,1,0,0|2,0,0]=4 6273 B13R1.1052 NC(=O)CCCCCSCC1CC1 62a_100009817443_100000742324 [0,0,1,1,0,0|2,0,0]=4 6274 B13R1.1052 NC(=O)CCCCNCCC1CC1 34a_100000696515_100000694398 [0,0,1,1,0,0|2,0,0]=4 6275 B13R1.1052 NC(=O)CCCCOCCC1CC1 34a_100012022536_100000694398 [0,0,1,1,0,0|2,0,0]=4 6276 B13R1.1052 NC(=O)CCCCOCCC1CC1 7a_100012022536_100000764125 [0,0,1,1,0,0|2,0,0]=4 6277 B13R1.1052 O=C(O)COCCNCCC1CC1 269956a_100000700818_100000694398 [0,0,1,1,0,0|2,0,0]=4 6278 B13R1.1052 O=C([O-])CCCCCOCC1CC1 7a_100102619762_100000742324 [0,0,1,1,0,0|1,0,1]=4 6279 B13R1.1988 CC(=O)CCCN1CCCCCC1 269982a_100000185865_100011215641 [0,0,1,1,0,0|2,0,0]=4 6280 B13R1.1988 CC(=O)CCCN1CCCCCC1 34a_100000185865_100000685027 [0,0,1,1,0,0|2,0,0]=4 6281 B13R1.1988 CC(=O)CCOC1CCCCCC1 34a_100000759926_100011217769 [0,0,1,1,0,0|2,0,0]=4 6282 B13R1.1988 CC(=O)CCOC1CCCCCC1 7a_100000210887_100000053229 [0,0,1,1,0,0|2,0,0]=4 6283 B13R1.1988 CC(=O)CCSC1CCCCCC1 62a_100000053229_100011217769 [0,0,1,1,0,0|2,0,0]=4 6284 B13R1.1988 CC(=O)CCSC1CCCCCC1 62a_100011217769_100000053229 [0,0,1,1,0,0|2,0,0]=4 6285 B13R1.1988 CC(=O)COCC1CCCCCC1 34a_100000211253_200000696569 [0,0,1,1,0,0|2,0,0]=4 6286 B13R1.1988 CC(=O)NCCC1CCCCCC1 11a_100011532351_100015343762 [0,0,1,1,0,0|2,0,0]=4 6287 B13R1.1988 CC(=O)NCCC1CCCCCC1 1626a_100011532351_100015343762 [0,0,1,1,0,0|2,0,0]=4 6288 B13R1.1988 CC(=O)NCCC1CCCCCC1 240690a_100011532351_100015343762 [0,0,1,1,0,0|2,0,0]=4 6289 B13R1.1988 CC(=O)NCCC1CCCCCC1 527a_100011532351_100103153847 [0,0,1,1,0,0|2,0,0]=4 6290 B13R1.1988 NC(=O)CCCN1CCCCCC1 269982a_100000185865_100102525003 [0,0,1,1,0,0|2,0,0]=4 6291 B13R1.1988 NC(=O)CCCN1CCCCCC1 34a_100000185865_100102525003 [0,0,1,1,0,0|2,0,0]=4 6292 B13R1.1988 NC(=O)CCNC1CCCCCC1 2230a_100000210984_100000744528 [0,0,1,1,0,0|2,0,0]=4 6293 B13R1.1988 NC(=O)CCNC1CCCCCC1 34a_100000210984_100000731001 [0,0,1,1,0,0|2,0,0]=4 6294 B13R1.1988 NC(=O)CCOC1CCCCCC1 34a_100000210887_100000731001 [0,0,1,1,0,0|2,0,0]=4 6295 B13R1.1988 NC(=O)CCOC1CCCCCC1 34a_100000757172_100011217769 [0,0,1,1,0,0|2,0,0]=4 6296 B13R1.1988 NC(=O)CCOC1CCCCCC1 7a_100000210887_100000744528 [0,0,1,1,0,0|2,0,0]=4 6297 B13R1.1988 NC(=O)CCSC1CCCCCC1 62a_100000744528_100011217769 [0,0,1,1,0,0|2,0,0]=4 6298 B13R1.1988 NC(=O)CCSC1CCCCCC1 62a_100011217769_100000744528 [0,0,1,1,0,0|2,0,0]=4 6299 B13R1.1988 NC(=O)CNCC1CCCCCC1 2230a_100000711301_200000696569 [0,0,1,1,0,0|2,0,0]=4 6300 B13R1.1988 NC(=O)CNCC1CCCCCC1 2230a_100015204231_100000747473 [0,0,1,1,0,0|2,0,0]=4 6301 B13R1.1988 NC(=O)CNCC1CCCCCC1 34a_100015204231_100000187820 [0,0,1,1,0,0|2,0,0]=4 6302 B13R1.1988 NC(=O)COCC1CCCCCC1 34a_100000699130_100000187820 [0,0,1,1,0,0|2,0,0]=4 6303 B13R1.1988 NC(=O)COCC1CCCCCC1 7a_100000699130_100000187820 [0,0,1,1,0,0|2,0,0]=4 6304 B13R1.1988 NC(=O)CSCC1CCCCCC1 62a_100000747473_200000696569 [0,0,1,1,0,0|2,0,0]=4 6305 B13R1.1988 NC(=O)CSCC1CCCCCC1 62a_200000696569_100000747473 [0,0,1,1,0,0|2,0,0]=4 6306 B13R1.1988 O=C(O)CNCC1CCCCCC1 269956a_100016091260_200000696569 [0,0,1,1,0,0|1,0,0]=3 6307 B13R1.1988 O=C(O)CONC1CCCCCC1 269956a_100000106656_100011217769 [0,0,1,1,0,0|2,0,0]=4 6308 B13R1.1988 O=C([O-])CNCC1CCCCCC1 34a_100015204231_100020667443 [0,0,1,1,0,0|1,0,1]=4 6309 B13R1.1988 O=C([O-])COCC1CCCCCC1 34a_100000699130_100020667443 [0,0,1,1,0,0|1,0,1]=4 6310 B13R1.1988 O=C([O-])CSCC1CCCCCC1 62a_100020667443_200000696569 [0,0,1,1,0,0|1,0,1]=4 6311 B13R1.1988 O=C([O-])CSCC1CCCCCC1 62a_200000696569_100020667443 [0,0,1,1,0,0|1,0,1]=4 6312 B13R1.3435 CCCCCCN1CCC1C(=O)O 269956a_100000021838_100000210757 [0,0,1,1,0,0|1,0,0]=3 6313 B13R1.3435 CCCCOCN1CCC1C(=O)O 269956a_100000021838_100011995733 [0,0,1,1,0,0|2,0,0]=4 6314 B13R1.3435 CCCOCCN1CCC1C(=O)O 269956a_100000021838_100011215938 [0,0,1,1,0,0|2,0,0]=4 6315 B13R1.3435 CCOCCCN1CCC1C(=O)O 269956a_100000021838_100012232248 [0,0,1,1,0,0|2,0,0]=4 6316 B13R1.3435 COCCCCN1CCC1C(=O)O 269956a_100000021838_100000730899 [0,0,1,1,0,0|2,0,0]=4 6317 B13R1.3435 O=C(O)C1CCN1CCCCCF 269956a_100000021838_100000729378 [0,0,1,1,0,0|2,0,0]=4 6318 B13R1.3435 O=C(O)C1CCN1CCCCCO 269956a_100000021838_100000746330 [0,0,1,1,0,0|2,0,0]=4 6319 B13R1.9 CCCCCNC1CCC(=O)NC1 2230a_100000748762_100000210326 [0,0,1,1,0,0|2,0,0]=4 6320 B13R1.9 CCCCCNC1CCC(=O)NC1 34a_100000748762_100000718602 [0,0,1,1,0,0|2,0,0]=4 6321 B13R1.9 CCCCCOC1CCC(=O)CC1 34a_100000764474_100000718602 [0,0,1,1,0,0|2,0,0]=4 6322 B13R1.9 CCCCCOC1CCC(=O)CC1 7a_100000764474_100000210326 [0,0,1,1,0,0|2,0,0]=4 6323 B13R1.9 CCCCCOC1CCC(=O)NC1 34a_100000079199_100000718602 [0,0,1,1,0,0|2,0,0]=4 6324 B13R1.9 CCCCOCC1CCC(=O)CC1 34a_100000062911_100000210210 [0,0,1,1,0,0|2,0,0]=4 6325 B13R1.16 CCCCCN1CCNC(=O)C1C 2230a_100000750721_100000210326 [0,0,1,1,0,0|2,0,0]=4 6326 B13R1.16 CCCCCN1CCNC(=O)C1C 269982a_100000750721_100000210215 [0,0,1,1,0,0|2,0,0]=4 6327 B13R1.16 CCCCCN1CCNC(=O)C1C 34a_100000750721_100000718602 [0,0,1,1,0,0|2,0,0]=4 6328 B13R1.91 CCC(=O)CN1CCCCC1CC 269982a_100000210034_100000747405 [0,0,1,1,0,0|2,0,0]=4 6329 B13R1.91 CCC(=O)NC1CCCCC1OC 11a_100011208099_100000210414 [0,0,1,1,0,0|2,0,0]=4 6330 B13R1.91 CCC(=O)NC1CCCCC1OC 1626a_100011208099_100000210414 [0,0,1,1,0,0|2,0,0]=4 6331 B13R1.91 CCC(=O)NC1CCCCC1OC 240690a_100011208099_100000210414 [0,0,1,1,0,0|2,0,0]=4 6332 B13R1.91 CCC(=O)NC1CCCCC1OC 527a_100011208099_100000210414 [0,0,1,1,0,0|2,0,0]=4 6333 B13R1.91 CCC(C)OC1CCCCC1CC 34a_100000210738_100011215416 [0,0,1,1,0,0|1,0,1]=4 6334 B13R1.91 CCC(C)OC1CCCCC1CC 7a_100000210738_100000758301 [0,0,1,1,0,0|1,0,1]=4 6335 B13R1.382 CCC(=O)N1CCCCC1CCO 240690a_100000211664_100000210414 [0,0,1,1,0,0|2,0,0]=4 6336 B13R1.382 CCC(=O)N1CCCCC1COC 11a_100015184032_100000210414 [0,0,1,1,0,0|2,0,0]=4 6337 B13R1.382 CCC(=O)N1CCCCC1COC 1626a_100015184032_100000210414 [0,0,1,1,0,0|2,0,0]=4 6338 B13R1.382 CCC(=O)N1CCCCC1COC 240690a_100015184032_100000210414 [0,0,1,1,0,0|2,0,0]=4 6339 B13R1.382 CCC(=O)N1CCCCC1COC 527a_100015184032_100000210414 [0,0,1,1,0,0|2,0,0]=4 6340 B13R1.382 CCCC1CCCCN1C(=O)CC 11a_100000701414_100000210414 [0,0,1,1,0,0|1,0,0]=3 6341 B13R1.382 CCCC1CCCCN1C(=O)CC 1626a_100000701414_100000210414 [0,0,1,1,0,0|1,0,0]=3 6342 B13R1.382 CCCC1CCCCN1C(=O)CC 240690a_100000701414_100000210414 [0,0,1,1,0,0|1,0,0]=3 6343 B13R1.382 CCCC1CCCCN1C(=O)CC 527a_100000701414_100000210414 [0,0,1,1,0,0|1,0,0]=3 6344 B13R1.382 CCCC1CCCCN1C(=O)CO 240690a_100000701414_100000210174 [0,0,1,1,0,0|2,0,0]=4 6345 B13R1.382 CCCC1CCCCN1C(=O)CO 527a_100000701414_100000210174 [0,0,1,1,0,0|2,0,0]=4 6346 B13R1.382 CCCC1CCCCN1C(=O)NC 2708a_100102657272_100000701414 [0,0,1,1,0,0|2,0,0]=4 6347 B13R1.382 CCCC1CCCCN1C(=O)NC 273464a_100102657272_100000701414 [0,0,1,1,0,0|2,0,0]=4 6348 B13R1.382 CCCC1COCCN1C(=O)CC 11a_102495339903_100000210414 [0,0,1,1,0,0|2,0,0]=4 6349 B13R1.382 CCCC1COCCN1C(=O)CC 1626a_102495339903_100000210414 [0,0,1,1,0,0|2,0,0]=4 6350 B13R1.382 CCCC1COCCN1C(=O)CC 240690a_102495339903_100000210414 [0,0,1,1,0,0|2,0,0]=4 6351 B13R1.382 CCCC1COCCN1C(=O)CC 527a_102495339903_100000210414 [0,0,1,1,0,0|2,0,0]=4 6352 B13R1.382 CCCN1CCCCC1C(=O)CC 1458a_100000743559_100000210202 [0,0,1,1,0,0|2,0,0]=4 6353 B13R1.528 CCC(=O)CCC1CCCCN1C 1458a_100000210414_100000211948 [0,0,1,1,0,0|2,0,0]=4 6354 B13R1.528 CCC(=O)CCC1CCCCN1C 1458a_100000718493_100000210202 [0,0,1,1,0,0|2,0,0]=4 6355 B13R1.528 CCC(=O)COC1CCCCC1C 1458a_100011223357_100000210202 [0,0,1,1,0,0|2,0,0]=4 6356 B13R1.528 CCC(=O)COC1CCCCC1C 7a_100000211207_100000747405 [0,0,1,1,0,0|2,0,0]=4 6357 B13R1.528 CCC(=O)NCC1CCCCC1O 240690a_100011216029_100000210414 [0,0,1,1,0,0|2,0,0]=4 6358 B13R1.528 CCC(=O)NCC1CCCCC1O 527a_100011216029_100000210414 [0,0,1,1,0,0|2,0,0]=4 6359 B13R1.528 CCC(=O)NCC1CCCCN1C 240690a_100011228421_100000210414 [0,0,1,1,0,0|2,0,0]=4 6360 B13R1.528 CCC(=O)NCC1CCCCN1C 527a_100011228421_100000210414 [0,0,1,1,0,0|2,0,0]=4 6361 B13R1.538 CNC(=O)OCCOCC1CC1C 34a_100000744939_200011997002 [0,0,1,1,0,0|2,0,0]=4 6362 B13R1.538 CNC(=O)OCCOCC1CC1C 7a_100000744939_200011997002 [0,0,1,1,0,0|2,0,0]=4 6363 B13R1.539 CCC(=O)NCCNCC1CCC1 269862a_100132302217_100000753134 [0,0,1,1,0,0|2,0,0]=4 6364 B13R1.539 CCC(=O)NCCNCC1CCC1 34a_100132302217_100000763275 [0,0,1,1,0,0|2,0,0]=4 6365 B13R1.539 CCC(=O)NCCOCC1CCC1 34a_200000158885_100000763275 [0,0,1,1,0,0|2,0,0]=4 6366 B13R1.539 CCC(=O)NCCOCC1CCC1 7a_200000158885_100000763275 [0,0,1,1,0,0|2,0,0]=4 6367 B13R1.539 CCC(=O)OCCOCC1CCC1 7a_200000031056_100000763275 [0,0,1,1,0,0|1,0,0]=3 6368 B13R1.539 CCC(=O)OCCOCC1CCO1 7a_200000031056_100000103362 [0,0,1,1,0,0|2,0,0]=4 6369 B13R1.539 CCC(=O)OCCOCC1COC1 7a_200000031056_100010264016 [0,0,1,1,0,0|2,0,0]=4 6370 B13R1.539 CNC(=O)OCCNCC1CCC1 34a_100000738700_200011997002 [0,0,1,1,0,0|2,0,0]=4 6371 B13R1.539 CNC(=O)OCCOCC1CCC1 34a_100000760304_200011997002 [0,0,1,1,0,0|2,0,0]=4 6372 B13R1.539 CNC(=O)OCCSCC1CCC1 62a_100000763275_200011997002 [0,0,1,1,0,0|2,0,0]=4 6373 B13R1.539 CNC(=O)OCCSCC1CCC1 62a_200011997002_100000763275 [0,0,1,1,0,0|2,0,0]=4 6374 B13R1.539 COC(=O)OCCOCC1CCC1 34a_100010262106_100000763275 [0,0,1,1,0,0|2,0,0]=4 6375 B13R1.560 CCCCCCCCOC1CCC1 34a_100000210232_100000749161 [0,0,1,1,0,0|1,0,1]=4 6376 B13R1.560 CCCCCCCCOC1CCC1 34a_100000748187_100000210759 [0,0,1,1,0,0|1,0,1]=4 6377 B13R1.594 CCC(=O)NCCNCCC1CC1 34a_100132302217_100000694398 [0,0,1,1,0,0|2,0,0]=4 6378 B13R1.594 CCC(=O)NCCOCCC1CC1 34a_200000158885_100000694398 [0,0,1,1,0,0|2,0,0]=4 6379 B13R1.594 CCC(=O)NCCOCCC1CC1 7a_200000158885_100000764125 [0,0,1,1,0,0|2,0,0]=4 6380 B13R1.594 CCC(=O)OCCOCCC1CC1 7a_200000031056_100000764125 [0,0,1,1,0,0|1,0,0]=3 6381 B13R1.594 CCC(=O)OCCOCCC1CO1 7a_200000031056_100000732470 [0,0,1,1,0,0|2,0,0]=4 6382 B13R1.594 CNC(=O)OCCNCCC1CC1 34a_100000764129_200011997002 [0,0,1,1,0,0|2,0,0]=4 6383 B13R1.594 CNC(=O)OCCOCCC1CC1 34a_100000754188_200011997002 [0,0,1,1,0,0|2,0,0]=4 6384 B13R1.594 CNC(=O)OCCOCCC1CC1 7a_100000754188_200011997002 [0,0,1,1,0,0|2,0,0]=4 6385 B13R1.594 CNC(=O)OCCSCCC1CC1 62a_100000764125_200011997002 [0,0,1,1,0,0|2,0,0]=4 6386 B13R1.594 CNC(=O)OCCSCCC1CC1 62a_200011997002_100000764125 [0,0,1,1,0,0|2,0,0]=4 6387 B13R1.594 COC(=O)OCCOCCC1CC1 34a_100010262106_100000694398 [0,0,1,1,0,0|2,0,0]=4 6388 B13R1.599 CCC(=O)NCCC1CCCN1C 240690a_100011219722_100000210414 [0,0,1,1,0,0|2,0,0]=4 6389 B13R1.599 CCC(=O)NCCC1CCCN1C 527a_100011219722_100000210414 [0,0,1,1,0,0|2,0,0]=4 6390 B13R1.599 CNC(=O)OCCN1CCC[C@@H]1C 269982a_100020605311_200011997002 [0,0,1,1,0,0|2,0,0]=4 6391 B13R1.599 CNC(=O)OCCN1CCC[C@H]1C 269982a_100015189458_200011997002 [0,0,1,1,0,0|2,0,0]=4 6392 B13R1.599 CNC(=O)OCCN1CCC[C@H]1C 34a_100015189458_200011997002 [0,0,1,1,0,0|2,0,0]=4 6393 B13R1.613 CCC(=O)NCC1CCCN1CC 11a_100000211693_100000210414 [0,0,1,1,0,0|2,0,0]=4 6394 B13R1.613 CCC(=O)NCC1CCCN1CC 1626a_100000211693_100000210414 [0,0,1,1,0,0|2,0,0]=4 6395 B13R1.613 CCC(=O)NCC1CCCN1CC 240690a_100000211693_100000210414 [0,0,1,1,0,0|2,0,0]=4 6396 B13R1.613 CCC(=O)NCC1CCCN1CC 527a_100000211693_100000210414 [0,0,1,1,0,0|2,0,0]=4 6397 B13R1.718 CCC(=O)CCCC1CCCCC1 1458a_100000210414_100011713725 [0,0,1,1,0,0|1,0,0]=3 6398 B13R1.718 CCC(=O)CCCC1CCCCC1 1458a_100000211478_100000210202 [0,0,1,1,0,0|1,0,0]=3 6399 B13R1.718 CCC(=O)CCCN1CCCCC1 1458a_100000210414_100000690320 [0,0,1,1,0,0|2,0,0]=4 6400 B13R1.718 CCC(=O)CCCN1CCCCC1 1458a_100000742516_100000210202 [0,0,1,1,0,0|2,0,0]=4 6401 B13R1.718 CCC(=O)CCOC1CCCCC1 1458a_100000210414_100011211530 [0,0,1,1,0,0|2,0,0]=4 6402 B13R1.718 CCC(=O)COCC1CCCCC1 34a_100000725409_100000211423 [0,0,1,1,0,0|2,0,0]=4 6403 B13R1.718 CCC(=O)COCC1CCCCC1 7a_100000212181_100000747405 [0,0,1,1,0,0|2,0,0]=4 6404 B13R1.718 CCC(=O)CSCC1CCCCC1 62a_100000211423_100000747405 [0,0,1,1,0,0|2,0,0]=4 6405 B13R1.718 CCC(=O)CSCC1CCCCC1 62a_100000747405_100000211423 [0,0,1,1,0,0|2,0,0]=4 6406 B13R1.718 CCC(=O)NCCC1CCCCC1 11a_100000738074_100000210414 [0,0,1,1,0,0|1,0,0]=3 6407 B13R1.718 CCC(=O)NCCC1CCCCC1 1626a_100000738074_100000210414 [0,0,1,1,0,0|1,0,0]=3 6408 B13R1.718 CCC(=O)NCCC1CCCCC1 240690a_100000738074_100000210414 [0,0,1,1,0,0|1,0,0]=3 6409 B13R1.718 CCC(=O)NCCC1CCCCC1 527a_100000738074_100000210414 [0,0,1,1,0,0|1,0,0]=3 6410 B13R1.718 CCC(=O)NCCC1CCCCO1 11a_100015183643_100000210414 [0,0,1,1,0,0|2,0,0]=4 6411 B13R1.718 CCC(=O)NCCC1CCCCO1 1626a_100015183643_100000210414 [0,0,1,1,0,0|2,0,0]=4 6412 B13R1.718 CCC(=O)NCCC1CCCCO1 240690a_100015183643_100000210414 [0,0,1,1,0,0|2,0,0]=4 6413 B13R1.718 CCC(=O)NCCC1CCCCO1 527a_100015183643_100000210414 [0,0,1,1,0,0|2,0,0]=4 6414 B13R1.718 CCC(=O)NCCC1CCOCC1 11a_100000755988_100000210414 [0,0,1,1,0,0|2,0,0]=4 6415 B13R1.718 CCC(=O)NCCC1CCOCC1 1626a_100000755988_100000210414 [0,0,1,1,0,0|2,0,0]=4 6416 B13R1.718 CCC(=O)NCCC1CCOCC1 240690a_100000755988_100000210414 [0,0,1,1,0,0|2,0,0]=4 6417 B13R1.718 CCC(=O)NCCC1CCOCC1 527a_100000755988_100000210414 [0,0,1,1,0,0|2,0,0]=4 6418 B13R1.718 CCC(=O)NCCN1CCCCC1 240690a_100000216509_100000210414 [0,0,1,1,0,0|2,0,0]=4 6419 B13R1.718 CCC(=O)NCCN1CCCCC1 527a_100000216509_100000210414 [0,0,1,1,0,0|2,0,0]=4 6420 B13R1.718 CCC(=O)NNCC1CCCCC1 22a_100000740227_100000210414 [0,0,1,1,0,0|2,0,0]=4 6421 B13R1.718 CCC(C)OCCC1CCCCC1 34a_100011217863_100011215416 [0,0,1,1,0,0|1,0,1]=4 6422 B13R1.718 CCC(C)OCCC1CCCCC1 7a_100000210228_100011273959 [0,0,1,1,0,0|1,0,1]=4 6423 B13R1.718 CCC(C)OCCC1CCCCC1 7a_100011217863_100000758301 [0,0,1,1,0,0|1,0,1]=4 6424 B13R1.718 CNC(=O)CCCC1CCCCC1 11a_106832991635_100000211478 [0,0,1,1,0,0|2,0,0]=4 6425 B13R1.718 CNC(=O)CCCC1CCCCC1 1626a_100102657272_100000211478 [0,0,1,1,0,0|2,0,0]=4 6426 B13R1.718 CNC(=O)CCCC1CCCCC1 240690a_100102657272_100000211478 [0,0,1,1,0,0|2,0,0]=4 6427 B13R1.718 CNC(=O)CCCC1CCCCC1 527a_100102657272_100000211478 [0,0,1,1,0,0|2,0,0]=4 6428 B13R1.718 CNC(=O)NCCC1CCCCC1 2708a_100000738074_106832991635 [0,0,1,1,0,0|2,0,0]=4 6429 B13R1.718 CNC(=O)NCCC1CCCCC1 2708a_100102657272_100000738074 [0,0,1,1,0,0|2,0,0]=4 6430 B13R1.718 CNC(=O)NCCC1CCCCC1 273464a_100000738074_100102657272 [0,0,1,1,0,0|2,0,0]=4 6431 B13R1.718 CNC(=O)NCCC1CCCCC1 273464a_100102657272_100000738074 [0,0,1,1,0,0|2,0,0]=4 6432 B13R1.718 CNC(=O)NCCC1CCCCC1 512a_100000738074_100102657272 [0,0,1,1,0,0|2,0,0]=4 6433 B13R1.718 CNC(=O)NCCC1CCCCC1 512a_106832991638_100000738074 [0,0,1,1,0,0|2,0,0]=4 6434 B13R1.718 COC(=O)OCSC1CCCCC1 62a_100000210327_100000139417 [0,0,1,1,0,0|2,0,0]=4 6435 B13R1.718 O=C(CF)CCCC1CCCCC1 1458a_100000211478_100015361967 [0,0,1,1,0,0|2,0,0]=4 6436 B13R1.718 O=C(CO)CCCC1CCCCC1 1458a_100000210174_100011713725 [0,0,1,1,0,0|2,0,0]=4 6437 B13R1.718 O=C(CO)NCCC1CCCCC1 240690a_100000738074_100000210174 [0,0,1,1,0,0|2,0,0]=4 6438 B13R1.718 O=C(CO)NCCC1CCCCC1 527a_100000738074_100000210174 [0,0,1,1,0,0|2,0,0]=4 6439 B13R1.1149 CCCCCN1CCNC(=O)CC1 2230a_100000698595_100000210326 [0,0,1,1,0,0|2,0,0]=4 6440 B13R1.1149 CCCCCN1CCNC(=O)CC1 269982a_100000698595_100000210215 [0,0,1,1,0,0|2,0,0]=4 6441 B13R1.1689 CCC(=O)N1CCCCCCCC1 11a_100000039187_100000210414 [0,0,1,1,0,0|1,0,0]=3 6442 B13R1.1689 CCC(=O)N1CCCCCCCC1 1626a_100000039187_100000210414 [0,0,1,1,0,0|1,0,0]=3 6443 B13R1.1689 CCC(=O)N1CCCCCCCC1 240690a_100000039187_100000210414 [0,0,1,1,0,0|1,0,0]=3 6444 B13R1.1689 CCC(=O)N1CCCCCCCC1 527a_100000039187_100000210414 [0,0,1,1,0,0|1,0,0]=3 6445 B13R1.1689 CNC(=O)N1CCCCCCCC1 2708a_100102657272_100000039187 [0,0,1,1,0,0|2,0,0]=4 6446 B13R1.1689 CNC(=O)N1CCCCCCCC1 273464a_100102657272_100000039187 [0,0,1,1,0,0|2,0,0]=4 6447 B13R1.1689 O=C(CO)N1CCCCCCCC1 240690a_100000039187_100000210174 [0,0,1,1,0,0|2,0,0]=4 6448 B13R1.1689 O=C(CO)N1CCCCCCCC1 527a_100000039187_100000210174 [0,0,1,1,0,0|2,0,0]=4 6449 B13R1.1711 CCC(=O)CCN1CCCCCC1 1458a_100000210414_100000722644 [0,0,1,1,0,0|2,0,0]=4 6450 B13R1.1711 CCC(=O)CCN1CCCCCC1 1458a_100000740320_100000210202 [0,0,1,1,0,0|2,0,0]=4 6451 B13R1.1711 CCC(=O)COC1CCCCCC1 34a_100000725409_100011217769 [0,0,1,1,0,0|2,0,0]=4 6452 B13R1.1711 CCC(=O)COC1CCCCCC1 7a_100000210887_100000747405 [0,0,1,1,0,0|2,0,0]=4 6453 B13R1.1711 CCC(=O)CSC1CCCCCC1 62a_100000747405_100011217769 [0,0,1,1,0,0|2,0,0]=4 6454 B13R1.1711 CCC(=O)CSC1CCCCCC1 62a_100011217769_100000747405 [0,0,1,1,0,0|2,0,0]=4 6455 B13R1.1711 CCC(=O)NCC1CCCCCC1 11a_100015204231_100000210414 [0,0,1,1,0,0|1,0,0]=3 6456 B13R1.1711 CCC(=O)NCC1CCCCCC1 1626a_100015204231_100000210414 [0,0,1,1,0,0|1,0,0]=3 6457 B13R1.1711 CCC(=O)NCC1CCCCCC1 240690a_100015204231_100000210414 [0,0,1,1,0,0|1,0,0]=3 6458 B13R1.1711 CCC(=O)NCC1CCCCCC1 527a_100015204231_100000210414 [0,0,1,1,0,0|1,0,0]=3 6459 B13R1.1711 CCC(C)OCC1CCCCCC1 34a_100000699130_100011215416 [0,0,1,1,0,0|1,0,1]=4 6460 B13R1.1711 CCC(C)OCC1CCCCCC1 7a_100000210228_200000696569 [0,0,1,1,0,0|1,0,1]=4 6461 B13R1.1711 CCC(C)OCC1CCCCCC1 7a_100000699130_100000758301 [0,0,1,1,0,0|1,0,1]=4 6462 B13R1.1711 CNC(=O)NCC1CCCCCC1 2708a_100015204231_106832991635 [0,0,1,1,0,0|2,0,0]=4 6463 B13R1.1711 CNC(=O)NCC1CCCCCC1 2708a_100102657272_100015204231 [0,0,1,1,0,0|2,0,0]=4 6464 B13R1.1711 CNC(=O)NCC1CCCCCC1 273464a_100015204231_100102657272 [0,0,1,1,0,0|2,0,0]=4 6465 B13R1.1711 CNC(=O)NCC1CCCCCC1 273464a_100102657272_100015204231 [0,0,1,1,0,0|2,0,0]=4 6466 B13R1.1711 CNC(=O)NCC1CCCCCC1 512a_106832991638_100015204231 [0,0,1,1,0,0|2,0,0]=4 6467 B13R1.1711 O=C(CO)NCC1CCCCCC1 240690a_100015204231_100000210174 [0,0,1,1,0,0|2,0,0]=4 6468 B13R1.1711 O=C(CO)NCC1CCCCCC1 527a_100015204231_100000210174 [0,0,1,1,0,0|2,0,0]=4 6469 B13R1.1870 CCC(=O)CN1CCCCCCC1 269982a_100000211400_100000747405 [0,0,1,1,0,0|2,0,0]=4 6470 B13R1.1870 CCC(=O)NC1CCCCCCC1 11a_100000211152_100000210414 [0,0,1,1,0,0|1,0,0]=3 6471 B13R1.1870 CCC(=O)NC1CCCCCCC1 1626a_100000211152_100000210414 [0,0,1,1,0,0|1,0,0]=3 6472 B13R1.1870 CCC(=O)NC1CCCCCCC1 240690a_100000211152_100000210414 [0,0,1,1,0,0|1,0,0]=3 6473 B13R1.1870 CCC(=O)NC1CCCCCCC1 527a_100000211152_100000210414 [0,0,1,1,0,0|1,0,0]=3 6474 B13R1.1870 CCC(C)OC1CCCCCCC1 34a_100000210054_100011215416 [0,0,1,1,0,0|1,0,1]=4 6475 B13R1.1870 CCC(C)OC1CCCCCCC1 7a_100000210054_100000758301 [0,0,1,1,0,0|1,0,1]=4 6476 B13R1.1870 CNC(=O)NC1CCCCCCC1 2708a_100000211152_106832991635 [0,0,1,1,0,0|2,0,0]=4 6477 B13R1.1870 CNC(=O)NC1CCCCCCC1 2708a_100102657272_100000211152 [0,0,1,1,0,0|2,0,0]=4 6478 B13R1.1870 CNC(=O)NC1CCCCCCC1 273464a_100000211152_100102657272 [0,0,1,1,0,0|2,0,0]=4 6479 B13R1.1870 CNC(=O)NC1CCCCCCC1 273464a_100102657272_100000211152 [0,0,1,1,0,0|2,0,0]=4 6480 B13R1.1870 CNC(=O)NC1CCCCCCC1 512a_100000211152_100102657272 [0,0,1,1,0,0|2,0,0]=4 6481 B13R1.1870 CNC(=O)NC1CCCCCCC1 512a_106832991638_100000211152 [0,0,1,1,0,0|2,0,0]=4 6482 B13R1.1870 O=C(CO)NC1CCCCCCC1 240690a_100000211152_100000210174 [0,0,1,1,0,0|2,0,0]=4 6483 B13R1.1870 O=C(CO)NC1CCCCCCC1 527a_100000211152_100000210174 [0,0,1,1,0,0|2,0,0]=4 6484 B13R1.2938 CCCCCCCCOC1(CC1)C 7a_100011725673_100000210759 [0,0,1,1,0,0|1,0,1]=4 6485 B13R2.142 O=C1CCC(C1)OC2CCCC2 34a_100012614533_100000179811 [1,0,0,1,0,0|2,0,0]=4 6486 B13R2.142 O=C1CC[C@H](N1)CN2CCCC2 2230a_100000188435_100015189358 [1,0,0,1,0,0|2,0,0]=4 6487 B13R2.142 O=C1CC[C@H](N1)CN2CCCC2 269982a_100000188435_100015189358 [1,0,0,1,0,0|2,0,0]=4 6488 B13R2.142 O=C1NCC(O1)CN2CCCC2 2230a_100000188435_100000181169 [1,0,0,1,0,0|2,0,0]=4 6489 B13R2.142 O=C1NCC(O1)CN2CCCC2 269982a_100000188435_100000181169 [1,0,0,1,0,0|2,0,0]=4 6490 B13R2.142 O=C1OCC(O1)CN2CCCC2 269982a_100000188435_100000073702 [1,0,0,1,0,0|2,0,0]=4 6491 B13R2.142 O=C1OCC(O1)NC2CCCC2 34a_100000211070_100000032252 [1,0,0,1,0,0|2,0,0]=4 6492 B13R2.142 O=C1OCC(O1)OC2CCCC2 34a_100000210269_100000032252 [1,0,0,1,0,0|2,0,0]=4 6493 B13R2.142 O=C1OCC(O1)SC2CCCC2 62a_100011217020_100000032252 [1,0,0,1,0,0|2,0,0]=4 6494 B13R2.143 CC1CC1COC2COC(=O)O2 34a_100000744939_100000032252 [1,0,0,1,0,0|2,0,0]=4 6495 B13R2.144 C[C@@H]1CCCN1C2COC(=O)O2 34a_100015189458_100000032252 [1,0,0,1,0,0|2,0,0]=4 6496 B13R2.145 CC1CCN1CC2CNC(=O)O2 269982a_100000755817_100000181169 [1,0,0,1,0,0|2,0,0]=4 6497 B13R2.145 CC1CCN1CC2CNC(=O)O2 34a_100000755817_100000181169 [1,0,0,1,0,0|2,0,0]=4 6498 B13R2.145 CC1CCN1CC2COC(=O)O2 269982a_100000755817_100000073702 [1,0,0,1,0,0|2,0,0]=4 6499 B13R2.145 CC1CCN1CC2COC(=O)O2 34a_100000755817_100000073702 [1,0,0,1,0,0|2,0,0]=4 6500 B13R2.145 CC1CCN1C[C@@H]2CCC(=O)N2 269982a_100000755817_100015189358 [1,0,0,1,0,0|2,0,0]=4 6501 B13R2.2973 O=C1CCC(C1)OCCC2CC2 34a_100012614533_100000694398 [1,0,0,1,0,0|2,0,0]=4 6502 B13R2.2973 O=C1CCC(N1)COCC2CC2 34a_100000737831_100000742324 [1,0,0,1,0,0|2,0,0]=4 6503 B13R2.2973 O=C1CC[C@@H](N1)CNCC2CC2 2230a_100015423886_100000742324 [1,0,0,1,0,0|2,0,0]=4 6504 B13R2.2973 O=C1CC[C@@H](N1)CNCC2CC2 269862a_100015423886_100000741477 [1,0,0,1,0,0|2,0,0]=4 6505 B13R2.2973 O=C1CC[C@@H](N1)CNCC2CC2 34a_100015423886_100000742324 [1,0,0,1,0,0|2,0,0]=4 6506 B13R2.2973 O=C1CC[C@H](N1)CNCC2CC2 2230a_100000735609_100015189358 [1,0,0,1,0,0|2,0,0]=4 6507 B13R2.2973 O=C1CC[C@H](N1)CSCC2CC2 62a_100000756562_100015189358 [1,0,0,1,0,0|2,0,0]=4 6508 B13R2.2973 O=C1CC[C@H](N1)CSCC2CC2 62a_100015189358_100000742324 [1,0,0,1,0,0|2,0,0]=4 6509 B13R2.2973 O=C1NCC(O1)CNCC2CC2 2230a_100000735609_100000181169 [1,0,0,1,0,0|2,0,0]=4 6510 B13R2.2973 O=C1NCC(O1)CNCC2CC2 34a_100000735609_100000181169 [1,0,0,1,0,0|2,0,0]=4 6511 B13R2.2973 O=C1NCC(O1)COCC2CC2 34a_100000211283_100000181169 [1,0,0,1,0,0|2,0,0]=4 6512 B13R2.2973 O=C1NCC(O1)COCC2CC2 34a_100011315639_100000742324 [1,0,0,1,0,0|2,0,0]=4 6513 B13R2.2973 O=C1NCC(O1)CSCC2CC2 62a_100000181169_100000742324 [1,0,0,1,0,0|2,0,0]=4 6514 B13R2.2973 O=C1NCC(O1)CSCC2CC2 62a_100000756562_100000181169 [1,0,0,1,0,0|2,0,0]=4 6515 B13R2.2973 O=C1OCC(O1)CNCC2CC2 34a_100000735609_100000073702 [1,0,0,1,0,0|2,0,0]=4 6516 B13R2.2973 O=C1OCC(O1)COCC2CC2 34a_100000211283_100000073702 [1,0,0,1,0,0|2,0,0]=4 6517 B13R2.2973 O=C1OCC(O1)CSCC2CC2 62a_100000073702_100000742324 [1,0,0,1,0,0|2,0,0]=4 6518 B13R2.2973 O=C1OCC(O1)CSCC2CC2 62a_100000756562_100000073702 [1,0,0,1,0,0|2,0,0]=4 6519 B13R2.2973 O=C1OCC(O1)NCCC2CC2 34a_100000764129_100000032252 [1,0,0,1,0,0|2,0,0]=4 6520 B13R2.2973 O=C1OCC(O1)OCCC2CC2 34a_100000754188_100000032252 [1,0,0,1,0,0|2,0,0]=4 6521 B13R2.2973 O=C1OCC(O1)SCCC2CC2 62a_100000764125_100000032252 [1,0,0,1,0,0|2,0,0]=4 6522 B13R2.2974 O=C1CCC(C1)OCC2CCC2 34a_100012614533_100000763275 [1,0,0,1,0,0|2,0,0]=4 6523 B13R2.2974 O=C1CCC(N1)COC2CCC2 34a_100000737831_100000749161 [1,0,0,1,0,0|2,0,0]=4 6524 B13R2.2974 O=C1CC[C@@H](N1)CNC2CCC2 270004a_100015423886_100000241760 [1,0,0,1,0,0|2,0,0]=4 6525 B13R2.2974 O=C1CC[C@@H](N1)CNC2CCC2 34a_100015423886_100000749161 [1,0,0,1,0,0|2,0,0]=4 6526 B13R2.2974 O=C1CC[C@H](N1)CNC2CCC2 2230a_100000749019_100015189358 [1,0,0,1,0,0|2,0,0]=4 6527 B13R2.2974 O=C1CC[C@H](N1)CSC2CCC2 62a_100015189358_100000749161 [1,0,0,1,0,0|2,0,0]=4 6528 B13R2.2974 O=C1NCC(O1)CNC2CCC2 2230a_100000749019_100000181169 [1,0,0,1,0,0|2,0,0]=4 6529 B13R2.2974 O=C1NCC(O1)CNC2CCC2 34a_100000749019_100000181169 [1,0,0,1,0,0|2,0,0]=4 6530 B13R2.2974 O=C1NCC(O1)COC2CCC2 34a_100000748187_100000181169 [1,0,0,1,0,0|2,0,0]=4 6531 B13R2.2974 O=C1NCC(O1)COC2CCC2 34a_100011315639_100000749161 [1,0,0,1,0,0|2,0,0]=4 6532 B13R2.2974 O=C1NCC(O1)CSC2CCC2 62a_100000181169_100000749161 [1,0,0,1,0,0|2,0,0]=4 6533 B13R2.2974 O=C1OCC(O1)CNC2CCC2 34a_100000749019_100000073702 [1,0,0,1,0,0|2,0,0]=4 6534 B13R2.2974 O=C1OCC(O1)COC2CCC2 34a_100000748187_100000073702 [1,0,0,1,0,0|2,0,0]=4 6535 B13R2.2974 O=C1OCC(O1)CSC2CCC2 62a_100000073702_100000749161 [1,0,0,1,0,0|2,0,0]=4 6536 B13R2.2974 O=C1OCC(O1)NCC2CCC2 34a_100000738700_100000032252 [1,0,0,1,0,0|2,0,0]=4 6537 B13R2.2974 O=C1OCC(O1)OCC2CCC2 34a_100000760304_100000032252 [1,0,0,1,0,0|2,0,0]=4 6538 B13R2.2974 O=C1OCC(O1)SCC2CCC2 62a_100000763275_100000032252 [1,0,0,1,0,0|2,0,0]=4 6539 B13R2.29 C[C@@H]1CCCN1CC2CCCO2 2230a_100015189458_100000203698 [1,0,0,1,0,0|1,0,1]=4 6540 B13R2.29 C[C@@H]1CCCN1CC2CCCO2 269982a_100015189458_100000183445 [1,0,0,1,0,0|1,0,1]=4 6541 B13R2.29 C[C@H]1CCCN1CC2CCCO2 2230a_100020605311_100000203698 [1,0,0,1,0,0|1,0,1]=4 6542 B13R2.29 C[C@H]1CCCN1CC2CCCO2 269982a_100020605311_100000183445 [1,0,0,1,0,0|1,0,1]=4 6543 B13R2.64 C1CCC(CC1)OC2CCCO2 34a_100000085407_100000210327 [1,0,0,1,0,0|1,0,1]=4 6544 B13R2.183 C1CCC(C1)COC2CCCO2 34a_100000085407_100000740388 [1,0,0,1,0,0|1,0,1]=4 6545 B13R2.183 C1CCC(C1)NCC2CCCO2 2230a_100000211070_100000203698 [1,0,0,1,0,0|1,0,1]=4 6546 B13R2.183 C1CCC(C1)NC[C@@H]2CCCO2 2230a_100020590478_100000179811 [1,0,0,1,0,0|1,0,1]=4 6547 B13R2.183 C1CCC(C1)NC[C@@H]2CCCO2 270004a_100020590478_100000210133 [1,0,0,1,0,0|1,0,1]=4 6548 B13R2.183 C1CCC(C1)NC[C@@H]2CCCO2 34a_100020590478_100000179811 [1,0,0,1,0,0|1,0,1]=4 6549 B13R2.183 C1CCC(C1)OCC2CCCO2 34a_100000210270_100000179811 [1,0,0,1,0,0|1,0,1]=4 6550 B13R2.183 C1CCC(C1)OCC2CCCO2 7a_100000210269_100000203698 [1,0,0,1,0,0|1,0,1]=4 6551 B13R2.183 C1CCC(C1)OCC2CCCO2 7a_100000210270_100000179811 [1,0,0,1,0,0|1,0,1]=4 6552 B13R2.183 C1COC(C1)CSC2CCCC2 62a_100000203698_100000179811 [1,0,0,1,0,0|1,0,1]=4 6553 B13R2.183 C1COC(C1)CSC2CCCC2 62a_100011217020_100000203698 [1,0,0,1,0,0|1,0,1]=4 6554 B13R2.196 CC1CC1COCC2CCCO2 7a_100000744939_100000203698 [1,0,0,1,0,0|1,0,1]=4 6555 B13R2.2380 C1COC(C1)COCCC2CC2 34a_100000210270_100000694398 [1,0,0,1,0,0|1,0,1]=4 6556 B13R2.2380 C1COC(C1)COCCC2CC2 7a_100000210270_100000764125 [1,0,0,1,0,0|1,0,1]=4 6557 B13R2.2380 C1COC(C1)COCCC2CC2 7a_100000754188_100000203698 [1,0,0,1,0,0|1,0,1]=4 6558 B13R2.2380 C1COC(C1)CSCCC2CC2 62a_100000203698_100000764125 [1,0,0,1,0,0|1,0,1]=4 6559 B13R2.2380 C1COC(C1)CSCCC2CC2 62a_100000764125_100000203698 [1,0,0,1,0,0|1,0,1]=4 6560 B13R2.2380 C1CO[C@@H](C1)CNCCC2CC2 2230a_100020590478_100000694398 [1,0,0,1,0,0|1,0,1]=4 6561 B13R2.2380 C1CO[C@@H](C1)CNCCC2CC2 34a_100020590478_100000694398 [1,0,0,1,0,0|1,0,1]=4 6562 B13R2.2381 C1CC(C1)CNCC2CCCO2 2230a_100000738700_100000203698 [1,0,0,1,0,0|1,0,1]=4 6563 B13R2.2381 C1CC(C1)CNC[C@@H]2CCCO2 2230a_100020590478_100000763275 [1,0,0,1,0,0|1,0,1]=4 6564 B13R2.2381 C1CC(C1)CNC[C@@H]2CCCO2 269862a_100020590478_100000753134 [1,0,0,1,0,0|1,0,1]=4 6565 B13R2.2381 C1CC(C1)CNC[C@@H]2CCCO2 34a_100020590478_100000763275 [1,0,0,1,0,0|1,0,1]=4 6566 B13R2.2381 C1CC(C1)COCC2CCCO2 34a_100000210270_100000763275 [1,0,0,1,0,0|1,0,1]=4 6567 B13R2.2381 C1CC(C1)COCC2CCCO2 7a_100000210270_100000763275 [1,0,0,1,0,0|1,0,1]=4 6568 B13R2.2381 C1CC(C1)CSCC2CCCO2 62a_100000203698_100000763275 [1,0,0,1,0,0|1,0,1]=4 6569 B13R2.2381 C1CC(C1)CSCC2CCCO2 62a_100000763275_100000203698 [1,0,0,1,0,0|1,0,1]=4 6570 B13R2.31 O=C1CC(C1)SC2CCCCC2 62a_100009894365_100000210327 [0,0,0,1,1,0|2,0,0]=4 6571 B13R2.216 CC1CCCCN1C2CC(=O)C2 269982a_100000211376_100009894365 [0,0,0,1,1,0|2,0,0]=4 6572 B13R2.241 O=C1CC(C1)CNC2CCCC2 2230a_100000211070_100009874392 [0,0,0,1,1,0|2,0,0]=4 6573 B13R2.241 O=C1CC(C1)COC2CCCC2 34a_100000101936_100000179811 [0,0,0,1,1,0|2,0,0]=4 6574 B13R2.241 O=C1CC(C1)COC2CCCC2 7a_100000210269_100009874392 [0,0,0,1,1,0|2,0,0]=4 6575 B13R2.241 O=C1CC(C1)CSC2CCCC2 62a_100009874392_100000179811 [0,0,0,1,1,0|2,0,0]=4 6576 B13R2.241 O=C1CC(C1)CSC2CCCC2 62a_100011217020_100009874392 [0,0,0,1,1,0|2,0,0]=4 6577 B13R2.241 O=C1CC(C1)SCC2CCCC2 62a_100009894365_100000740388 [0,0,0,1,1,0|2,0,0]=4 6578 B13R2.361 C[C@@H]1CCCN1CC2CC(=O)C2 2230a_100015189458_100009874392 [0,0,0,1,1,0|2,0,0]=4 6579 B13R2.361 C[C@@H]1CCCN1CC2CC(=O)C2 269982a_100015189458_100009874392 [0,0,0,1,1,0|2,0,0]=4 6580 B13R2.361 C[C@H]1CCCN1CC2CC(=O)C2 2230a_100020605311_100009874392 [0,0,0,1,1,0|2,0,0]=4 6581 B13R2.361 C[C@H]1CCCN1CC2CC(=O)C2 269982a_100020605311_100009874392 [0,0,0,1,1,0|2,0,0]=4 6582 B13R2.399 CC1CC1COCC2CC(=O)C2 7a_100000744939_100009874392 [0,0,0,1,1,0|2,0,0]=4 6583 B13R2.2357 CCC1CCCN1C2CC(=O)C2 269982a_100000754278_100009894365 [0,0,0,1,1,0|2,0,0]=4 6584 B13R2.5283 O=C1CC(C1)N2CCCCCC2 269982a_100000185865_100009894365 [0,0,0,1,1,0|2,0,0]=4 6585 B13R2.5292 O=C1CC(C1)COCCC2CC2 34a_100000101936_100000694398 [0,0,0,1,1,0|2,0,0]=4 6586 B13R2.5292 O=C1CC(C1)COCCC2CC2 7a_100000754188_100009874392 [0,0,0,1,1,0|2,0,0]=4 6587 B13R2.5292 O=C1CC(C1)CSCCC2CC2 62a_100000764125_100009874392 [0,0,0,1,1,0|2,0,0]=4 6588 B13R2.5292 O=C1CC(C1)CSCCC2CC2 62a_100009874392_100000764125 [0,0,0,1,1,0|2,0,0]=4 6589 B13R2.5303 O=C1CC(C1)CNCC2CCC2 2230a_100000738700_100009874392 [0,0,0,1,1,0|2,0,0]=4 6590 B13R2.5303 O=C1CC(C1)COCC2CCC2 34a_100000101936_100000763275 [0,0,0,1,1,0|2,0,0]=4 6591 B13R2.5303 O=C1CC(C1)CSCC2CCC2 62a_100000763275_100009874392 [0,0,0,1,1,0|2,0,0]=4 6592 B13R2.5303 O=C1CC(C1)CSCC2CCC2 62a_100009874392_100000763275 [0,0,0,1,1,0|2,0,0]=4 6593 B13R2.27 O=C1CCC1NC2CCCCC2 34a_100000182618_100009892977 [0,0,0,1,1,0|1,0,0]=3 6594 B13R2.27 O=C1CCC1NC2CCCOC2 34a_100000719290_100009892977 [0,0,0,1,1,0|2,0,0]=4 6595 B13R2.27 O=C1CCC1NC2CCOCC2 34a_100000741149_100009892977 [0,0,0,1,1,0|2,0,0]=4 6596 B13R2.27 O=C1CCC1NC2CCSCC2 34a_100000748639_100009892977 [0,0,0,1,1,0|2,0,0]=4 6597 B13R2.27 O=C1CCC1OC2CCCCC2 34a_100000210231_100009892977 [0,0,0,1,1,0|1,0,0]=3 6598 B13R2.27 O=C1CCC1OC2CCCCC2 7a_100000210231_100009892977 [0,0,0,1,1,0|1,0,0]=3 6599 B13R2.27 O=C1CCC1OC2CCCCO2 34a_100000033831_100009892977 [0,0,0,1,1,0|2,0,0]=4 6600 B13R2.27 O=C1CCC1OC2CCCOC2 34a_100000754041_100009892977 [0,0,0,1,1,0|2,0,0]=4 6601 B13R2.27 O=C1CCC1OC2CCCSC2 7a_100015962668_100009892977 [0,0,0,1,1,0|2,0,0]=4 6602 B13R2.27 O=C1CCC1OC2CCOCC2 34a_100000744328_100009892977 [0,0,0,1,1,0|2,0,0]=4 6603 B13R2.27 O=C1CCC1OC2CCSCC2 34a_100000731022_100009892977 [0,0,0,1,1,0|2,0,0]=4 6604 B13R2.27 O=C1CCC1OC2CCSCC2 7a_100000731022_100009892977 [0,0,0,1,1,0|2,0,0]=4 6605 B13R2.27 O=C1CCC1SC2CCCCC2 62a_100000210327_100009892977 [0,0,0,1,1,0|1,0,0]=3 6606 B13R2.27 O=C1CCC1SC2CCCCC2 62a_100009892977_100000210327 [0,0,0,1,1,0|1,0,0]=3 6607 B13R2.27 O=C1CCC1SC2CCCOC2 62a_100009892977_100000693364 [0,0,0,1,1,0|2,0,0]=4 6608 B13R2.27 O=C1CCC1SC2CCOCC2 62a_100009892977_100011324220 [0,0,0,1,1,0|2,0,0]=4 6609 B13R2.27 O=C1CCC1SC2CCSCC2 62a_100009892977_100000069128 [0,0,0,1,1,0|2,0,0]=4 6610 B13R2.105 CCC1CCCN1C2CCC2=O 269982a_100000754278_100009892977 [0,0,0,1,1,0|1,0,0]=3 6611 B13R2.105 CCC1CCCN1C2CCC2=O 34a_100000754278_100009892977 [0,0,0,1,1,0|1,0,0]=3 6612 B13R2.105 O=C1CCC1N2CCC[C@@H]2CO 269982a_100000745186_100009892977 [0,0,0,1,1,0|2,0,0]=4 6613 B13R2.105 O=C1CCC1N2CCC[C@@H]2CO 34a_100000745186_100009892977 [0,0,0,1,1,0|2,0,0]=4 6614 B13R2.215 CC1CCCCN1C2CCC2=O 269982a_100000211376_100009892977 [0,0,0,1,1,0|1,0,0]=3 6615 B13R2.215 CC1CCCCN1C2CCC2=O 34a_100000211376_100009892977 [0,0,0,1,1,0|1,0,0]=3 6616 B13R2.215 C[C@H]1COCCN1C2CCC2=O 269982a_100009815349_100009892977 [0,0,0,1,1,0|2,0,0]=4 6617 B13R2.215 C[C@H]1COCCN1C2CCC2=O 34a_100009815349_100009892977 [0,0,0,1,1,0|2,0,0]=4 6618 B13R2.266 COCC1CCN1C2CCC2=O 269982a_100015195929_100009892977 [0,0,0,1,1,0|2,0,0]=4 6619 B13R2.266 COCC1CCN1C2CCC2=O 34a_100015195929_100009892977 [0,0,0,1,1,0|2,0,0]=4 6620 B13R2.349 O=C1CCC1CCN[C@@H]2C[C@@H]2F 2230a_100015190264_200016118888 [0,0,0,1,1,0|2,0,0]=4 6621 B13R2.349 O=C1CCC1CCN[C@@H]2C[C@H]2F 2230a_100025746932_200016118888 [0,0,0,1,1,0|2,0,0]=4 6622 B13R2.360 CC1CCCC1OC2CCC2=O 34a_100011216460_100009892977 [0,0,0,1,1,0|1,0,0]=3 6623 B13R2.360 CC1CCCC1OC2CCC2=O 7a_100011216460_100009892977 [0,0,0,1,1,0|1,0,0]=3 6624 B13R2.360 C[C@@H]1CNC[C@@H]1OC2CCC2=O 34a_200015306588_100009892977 [0,0,0,1,1,0|2,0,0]=4 6625 B13R2.360 N[C@H]1CCC[C@@H]1OC2CCC2=O 34a_100000748460_100009892977 [0,0,0,1,1,0|2,0,0]=4 6626 B13R2.360 O=C1CCC1O[C@@H]2CCC[C@H]2Cl 34a_200016002552_100009892977 [0,0,0,1,1,0|2,0,0]=4 6627 B13R2.360 O=C1CCC1S[C@@H]2CCC[C@H]2O 62a_100009892977_200016002552 [0,0,0,1,1,0|2,0,0]=4 6628 B13R2.360 O=C1CCC1S[C@@H]2CCC[C@H]2O 62a_200016002552_100009892977 [0,0,0,1,1,0|2,0,0]=4 6629 B13R2.415 CC1CCN1CCC2CCC2=O 269982a_100000755817_200016118888 [0,0,0,1,1,0|1,0,0]=3 6630 B13R2.4880 O=C1CCC1N2CCCCCC2 269982a_100000185865_100009892977 [0,0,0,1,1,0|1,0,0]=3 6631 B13R2.4880 O=C1CCC1N2CCCCCC2 34a_100000185865_100009892977 [0,0,0,1,1,0|1,0,0]=3 6632 B13R2.4880 O=C1CCC1N2CCCOCC2 269982a_100000685342_100009892977 [0,0,0,1,1,0|2,0,0]=4 6633 B13R2.4880 O=C1CCC1N2CCCOCC2 34a_100000685342_100009892977 [0,0,0,1,1,0|2,0,0]=4 6634 B13R2.4894 O=C1CCC1CCNC2CCC2 2230a_100000749019_200016118888 [0,0,0,1,1,0|1,0,0]=3 6635 B13R2.4894 O=C1CCC1CCNC2COC2 2230a_100016991112_200016118888 [0,0,0,1,1,0|2,0,0]=4 6636 B13R2.4894 O=C1CCC1CCOC2CSC2 7a_100000072292_200016118888 [0,0,0,1,1,0|2,0,0]=4 6637 B13R2.4894 O=C1CCC1CCSC2CCC2 62a_200016118888_100000749161 [0,0,0,1,1,0|1,0,0]=3 6638 B13R2.4894 O=C1CCC1CCSC2COC2 62a_200016118888_100009818527 [0,0,0,1,1,0|2,0,0]=4 6639 B13R2.4894 O=C1CCC1OCCC2COC2 34a_100009855314_100009892977 [0,0,0,1,1,0|2,0,0]=4 6640 B13R2.5377 O=C1CCC1CCNCC2CC2 2230a_100000735609_200016118888 [0,0,0,1,1,0|1,0,0]=3 6641 B13R2.5377 O=C1CCC1CCSCC2CC2 62a_100000756562_200016118888 [0,0,0,1,1,0|1,0,0]=3 6642 B13R2.5377 O=C1CCC1CCSCC2CC2 62a_200016118888_100000742324 [0,0,0,1,1,0|1,0,0]=3 6643 B13R2.5377 O=C1CCC1CCSCC2CO2 62a_102125554688_200016118888 [0,0,0,1,1,0|2,0,0]=4 6644 B13R2.5377 O=C1CCC1CCSCC2CO2 62a_200016118888_102125554688 [0,0,0,1,1,0|2,0,0]=4 6645 B13R2.5377 O=C1CCC1CCSCC2CS2 62a_100000031435_200016118888 [0,0,0,1,1,0|2,0,0]=4 6646 B13R2.5377 O=C1CCC1CCSCC2CS2 62a_200016118888_100000031435 [0,0,0,1,1,0|2,0,0]=4 6647 B13R2.5377 O=C1CCC1CCSC[C@@H]2CO2 62a_100000745022_200016118888 [0,0,0,1,1,0|2,0,0]=4 6648 B13R2.5377 O=C1CCC1CCSC[C@@H]2CO2 62a_200016118888_100000745022 [0,0,0,1,1,0|2,0,0]=4 6649 B13R2.5377 O=C1CCC1OCCNC2CC2 34a_100000738766_100009892977 [0,0,0,1,1,0|2,0,0]=4 6650 B13R2.5377 O=C1CCC1SCCCC2CO2 62a_100000733510_100009892977 [0,0,0,1,1,0|2,0,0]=4 6651 B13R2.5377 O=C1CCC1SCCCC2CO2 62a_100009892977_100000733510 [0,0,0,1,1,0|2,0,0]=4 6652 B15R2.29 O=C1CCC(CC1)OC2CCCCC2 34a_100000764474_100000210327 [0,0,0,1,0,1|2,0,0]=4 6653 B15R2.29 O=C1CCC(CC1)OC2CCCCC2 7a_100000764474_100000210327 [0,0,0,1,0,1|2,0,0]=4 6654 B15R2.29 O=C1CCC(CN1)NC2CCCCC2 270004a_100000748762_100000210434 [0,0,0,1,0,1|2,0,0]=4 6655 B15R2.29 O=C1CCC(CN1)NC2CCCCC2 34a_100000748762_100000210327 [0,0,0,1,0,1|2,0,0]=4 6656 B15R2.29 O=C1CCC(CN1)OC2CCCCC2 34a_100000079199_100000210327 [0,0,0,1,0,1|2,0,0]=4 6657 B15R2.100 O=C1CCC(CC1)COC2CCCC2 34a_100000062911_100000179811 [0,0,0,1,0,1|2,0,0]=4 6658 B15R2.100 O=C1CCC(CC1)OCC2CCCC2 34a_100000764474_100000740388 [0,0,0,1,0,1|2,0,0]=4 6659 B15R2.100 O=C1CCC(CC1)OCC2CCCC2 7a_100000764474_100000740388 [0,0,0,1,0,1|2,0,0]=4 6660 B15R2.100 O=C1CCC(CN1)NCC2CCCC2 2230a_100000748762_100000740388 [0,0,0,1,0,1|2,0,0]=4 6661 B15R2.100 O=C1CCC(CN1)NCC2CCCC2 269862a_100000748762_100000746403 [0,0,0,1,0,1|2,0,0]=4 6662 B15R2.100 O=C1CCC(CN1)NCC2CCCC2 34a_100000748762_100000740388 [0,0,0,1,0,1|2,0,0]=4 6663 B15R2.100 O=C1CCC(CN1)OCC2CCCC2 34a_100000079199_100000740388 [0,0,0,1,0,1|2,0,0]=4 6664 B15R2.1510 CC1CCCC1NC2CCC(=O)NC2 269862a_100000748762_100000752053 [0,0,0,1,0,1|2,0,0]=4 6665 B15R2.18926 O=C1CCC(CC1)COCCC2CC2 34a_100000062911_100000694398 [0,0,0,1,0,1|2,0,0]=4 6666 B15R2.19027 O=C1CCC(CC1)COCC2CCC2 34a_100000062911_100000763275 [0,0,0,1,0,1|2,0,0]=4 6667 B15R2.31 O=C1CC(CCN1)NC2CCCCC2 34a_100016994916_100000210327 [0,0,0,1,0,1|2,0,0]=4 6668 B15R2.31 O=C1CCCC(C1)OC2CCCCC2 34a_100012613340_100000210327 [0,0,0,1,0,1|2,0,0]=4 6669 B15R2.31 O=C1CN(CCN1)CC2CCCCC2 2230a_100000184651_100000211423 [0,0,0,1,0,1|2,0,0]=4 6670 B15R2.31 O=C1CN(CCO1)CC2CCCCC2 2230a_100000131268_100000211423 [0,0,0,1,0,1|2,0,0]=4 6671 B15R2.31 O=C1C[C@@H](CCN1)OC2CCCCC2 34a_100015189427_100000210327 [0,0,0,1,0,1|2,0,0]=4 6672 B15R2.332 CC1CCCCC1N2CCNC(=O)C2 270004a_100000184651_100000210921 [0,0,0,1,0,1|2,0,0]=4 6673 B15R2.332 CC1CCCCC1N2CCOC(=O)C2 270004a_100000131268_100000210921 [0,0,0,1,0,1|2,0,0]=4 6674 B15R2.335 CC1CCCC1NC2CCNC(=O)C2 269862a_100016994916_100000752053 [0,0,0,1,0,1|2,0,0]=4 6675 B15R2.1117 O=C1CC(CCN1)COC2CCCC2 34a_100009886756_100000179811 [0,0,0,1,0,1|2,0,0]=4 6676 B15R2.1117 O=C1CC(CCN1)NCC2CCCC2 2230a_100016994916_100000740388 [0,0,0,1,0,1|2,0,0]=4 6677 B15R2.1117 O=C1CC(CCN1)NCC2CCCC2 269862a_100016994916_100000746403 [0,0,0,1,0,1|2,0,0]=4 6678 B15R2.1117 O=C1CC(CCN1)NCC2CCCC2 34a_100016994916_100000740388 [0,0,0,1,0,1|2,0,0]=4 6679 B15R2.1117 O=C1CCCC(C1)OCC2CCCC2 34a_100012613340_100000740388 [0,0,0,1,0,1|2,0,0]=4 6680 B15R2.1117 O=C1CCCC(N1)COC2CCCC2 34a_200000102386_100000179811 [0,0,0,1,0,1|2,0,0]=4 6681 B15R2.1117 O=C1CN(CCN1)CCC2CCCC2 2230a_100000184651_100000760354 [0,0,0,1,0,1|2,0,0]=4 6682 B15R2.1117 O=C1CN(CCO1)CCC2CCCC2 2230a_100000131268_100000760354 [0,0,0,1,0,1|2,0,0]=4 6683 B15R2.1117 O=C1COCC(N1)COC2CCCC2 34a_200000101122_100000179811 [0,0,0,1,0,1|2,0,0]=4 6684 B15R2.1117 O=C1C[C@@H](CCN1)OCC2CCCC2 34a_100015189427_100000740388 [0,0,0,1,0,1|2,0,0]=4 6685 B15R2.2188 CCC1CCCC1N2CCNC(=O)C2 270004a_100000184651_100000749056 [0,0,0,1,0,1|2,0,0]=4 6686 B15R2.2188 CCC1CCCC1N2CCOC(=O)C2 270004a_100000131268_100000749056 [0,0,0,1,0,1|2,0,0]=4 6687 B15R2.7124 O=C1CN(CCN1)C2CCCCCC2 270004a_100000184651_100000210131 [0,0,0,1,0,1|2,0,0]=4 6688 B15R2.7124 O=C1CN(CCO1)C2CCCCCC2 270004a_100000131268_100000210131 [0,0,0,1,0,1|2,0,0]=4 6689 B15R2.7133 O=C1CC(CCN1)COCCC2CC2 34a_100009886756_100000694398 [0,0,0,1,0,1|2,0,0]=4 6690 B15R2.7133 O=C1CCCC(N1)COCCC2CC2 34a_200000102386_100000694398 [0,0,0,1,0,1|2,0,0]=4 6691 B15R2.7133 O=C1COCC(N1)COCCC2CC2 34a_200000101122_100000694398 [0,0,0,1,0,1|2,0,0]=4 6692 B15R2.7146 O=C1CC(CCN1)COCC2CCC2 34a_100009886756_100000763275 [0,0,0,1,0,1|2,0,0]=4 6693 B15R2.7146 O=C1CCCC(N1)COCC2CCC2 34a_200000102386_100000763275 [0,0,0,1,0,1|2,0,0]=4 6694 B15R2.7146 O=C1COCC(N1)COCC2CCC2 34a_200000101122_100000763275 [0,0,0,1,0,1|2,0,0]=4 6695 B15R2.289 O=C1CCC(N1)C(=O)CC2CCCC2 1458a_100000210400_100000740388 [0,1,0,1,0,0|1,0,1]=4 6696 B15R2.289 O=C1CC[C@H](O1)C(=O)CC2CCCC2 1458a_100009814974_100000740388 [0,1,0,1,0,0|0,0,1]=3 6697 B15R2.289 O=C1CC[C@H](O1)C(=O)CC2CCCO2 1458a_100009814974_100000203698 [0,1,0,1,0,0|1,0,1]=4 6698 B15R2.289 O=C1CC[C@H](O1)C(=O)CC2CCOC2 1458a_100009814974_100000702531 [0,1,0,1,0,0|1,0,1]=4 6699 B15R2.289 O=C1CC[C@H](O1)C(=O)NC2CCCC2 11a_100000211070_100009814974 [0,1,0,1,0,0|1,0,1]=4 6700 B15R2.289 O=C1CC[C@H](O1)C(=O)NC2CCCC2 1626a_100000211070_100009814974 [0,1,0,1,0,0|1,0,1]=4 6701 B15R2.289 O=C1CC[C@H](O1)C(=O)NC2CCCC2 240690a_100000211070_100009814974 [0,1,0,1,0,0|1,0,1]=4 6702 B15R2.289 O=C1CC[C@H](O1)C(=O)NC2CCCC2 527a_100000211070_100009814974 [0,1,0,1,0,0|1,0,1]=4 6703 B15R2.297 CN(C1CCCCC1)C2COC(=O)O2 34a_100000207522_100000032252 [0,1,0,1,0,0|2,0,0]=4 6704 B15R2.297 O=C1CCC(N1)C(=O)C2CCCCC2 1458a_100000210400_100000210327 [0,1,0,1,0,0|1,0,1]=4 6705 B15R2.297 O=C1CC[C@H](O1)C(=O)C2CCCCC2 1458a_100009814974_100000210327 [0,1,0,1,0,0|0,0,1]=3 6706 B15R2.297 O=C1CC[C@H](O1)C(=O)C2CCCOC2 1458a_100009814974_100000693364 [0,1,0,1,0,0|1,0,1]=4 6707 B15R2.297 O=C1CC[C@H](O1)C(=O)C2CCOCC2 1458a_100009814974_100011324220 [0,1,0,1,0,0|1,0,1]=4 6708 B15R2.6887 O=C1OCC(O1)N2CCCCCCC2 34a_100000211400_100000032252 [0,1,0,1,0,0|1,0,0]=3 6709 B15R2.6922 C[C@@H]1CCCN1C(=O)[C@@H]2CCC(=O)O2 11a_100015189458_100009814974 [0,1,0,1,0,0|1,0,1]=4 6710 B15R2.6922 C[C@@H]1CCCN1C(=O)[C@@H]2CCC(=O)O2 240690a_100015189458_100009814974 [0,1,0,1,0,0|1,0,1]=4 6711 B15R2.6922 C[C@@H]1CCCN1C(=O)[C@@H]2CCC(=O)O2 527a_100015189458_100009814974 [0,1,0,1,0,0|1,0,1]=4 6712 B15R2.6922 C[C@H]1CCCN1C(=O)[C@@H]2CCC(=O)O2 240690a_100020605311_100009814974 [0,1,0,1,0,0|1,0,1]=4 6713 B15R2.6922 C[C@H]1CCCN1C(=O)[C@@H]2CCC(=O)O2 527a_100020605311_100009814974 [0,1,0,1,0,0|1,0,1]=4 6714 B15R2.41372 O=C1CC[C@H](O1)C(=O)CCCC2CO2 1458a_100009814974_100000733510 [0,1,0,1,0,0|1,0,1]=4 6715 B15R2.41372 O=C1CC[C@H](O1)C(=O)NCCC2CC2 1626a_100000764129_100009814974 [0,1,0,1,0,0|1,0,1]=4 6716 B15R2.41372 O=C1CC[C@H](O1)C(=O)NCCC2CC2 240690a_100000764129_100009814974 [0,1,0,1,0,0|1,0,1]=4 6717 B15R2.41372 O=C1CC[C@H](O1)C(=O)NCCC2CC2 527a_100000764129_100009814974 [0,1,0,1,0,0|1,0,1]=4 6718 B15R2.41375 O=C1CC[C@H](O1)C(=O)NCC2CCC2 11a_100000738700_100009814974 [0,1,0,1,0,0|1,0,1]=4 6719 B15R2.41375 O=C1CC[C@H](O1)C(=O)NCC2CCC2 1626a_100000738700_100009814974 [0,1,0,1,0,0|1,0,1]=4 6720 B15R2.41375 O=C1CC[C@H](O1)C(=O)NCC2CCC2 240690a_100000738700_100009814974 [0,1,0,1,0,0|1,0,1]=4 6721 B15R2.41375 O=C1CC[C@H](O1)C(=O)NCC2CCC2 527a_100000738700_100009814974 [0,1,0,1,0,0|1,0,1]=4 6722 B15R2.46 COCC1CCN1CC2CNC(=O)O2 2230a_100015195929_100000181169 [0,1,0,1,0,0|2,0,0]=4 6723 B15R2.46 COCC1CCN1CC2CNC(=O)O2 269982a_100015195929_100000181169 [0,1,0,1,0,0|2,0,0]=4 6724 B15R2.46 COCC1CCN1CC2CNC(=O)O2 34a_100015195929_100000181169 [0,1,0,1,0,0|2,0,0]=4 6725 B15R2.46 COCC1CCN1CC2COC(=O)O2 269982a_100015195929_100000073702 [0,1,0,1,0,0|2,0,0]=4 6726 B15R2.46 COCC1CCN1CC2COC(=O)O2 34a_100015195929_100000073702 [0,1,0,1,0,0|2,0,0]=4 6727 B15R2.46 COCC1CCN1C[C@@H]2CCC(=O)N2 2230a_100015195929_100015189358 [0,1,0,1,0,0|2,0,0]=4 6728 B15R2.46 COCC1CCN1C[C@@H]2CCC(=O)N2 269982a_100015195929_100015189358 [0,1,0,1,0,0|2,0,0]=4 6729 B15R2.119 CCC1CCCC1NC2CNC(=O)C2 269862a_100000697751_100000749056 [0,1,0,1,0,0|2,0,0]=4 6730 B15R2.119 CCC1CCCN1CC2CNC(=O)O2 2230a_100000754278_100000181169 [0,1,0,1,0,0|1,0,0]=3 6731 B15R2.119 CCC1CCCN1CC2CNC(=O)O2 269982a_100000754278_100000181169 [0,1,0,1,0,0|1,0,0]=3 6732 B15R2.119 CCC1CCCN1CC2CNC(=O)O2 34a_100000754278_100000181169 [0,1,0,1,0,0|1,0,0]=3 6733 B15R2.119 CCC1CCCN1CC2COC(=O)O2 269982a_100000754278_100000073702 [0,1,0,1,0,0|1,0,0]=3 6734 B15R2.119 CCC1CCCN1CC2COC(=O)O2 34a_100000754278_100000073702 [0,1,0,1,0,0|1,0,0]=3 6735 B15R2.119 CCC1CCCN1C[C@@H]2CCC(=O)N2 2230a_100000754278_100015189358 [0,1,0,1,0,0|1,0,0]=3 6736 B15R2.119 CCC1CCCN1C[C@@H]2CCC(=O)N2 269982a_100000754278_100015189358 [0,1,0,1,0,0|1,0,0]=3 6737 B15R2.119 CCC1CCCN1C[C@H]2COC(=O)N2 2230a_100000754278_100015307671 [0,1,0,1,0,0|2,0,0]=4 6738 B15R2.119 CCC1CCCN1C[C@H]2COC(=O)N2 269982a_100000754278_100015307671 [0,1,0,1,0,0|2,0,0]=4 6739 B15R2.119 CCC1CCCN1C[C@H]2COC(=O)N2 34a_100000754278_100015307671 [0,1,0,1,0,0|2,0,0]=4 6740 B15R2.119 O=C1CC[C@H](N1)CN2CCC[C@@H]2CO 2230a_100000745186_100015189358 [0,1,0,1,0,0|2,0,0]=4 6741 B15R2.119 O=C1CC[C@H](N1)CN2CCC[C@@H]2CO 269982a_100000745186_100015189358 [0,1,0,1,0,0|2,0,0]=4 6742 B15R2.119 O=C1NCC(O1)CN2CCC[C@@H]2CO 2230a_100000745186_100000181169 [0,1,0,1,0,0|2,0,0]=4 6743 B15R2.119 O=C1NCC(O1)CN2CCC[C@@H]2CO 269982a_100000745186_100000181169 [0,1,0,1,0,0|2,0,0]=4 6744 B15R2.119 O=C1NCC(O1)CN2CCC[C@@H]2CO 34a_100000745186_100000181169 [0,1,0,1,0,0|2,0,0]=4 6745 B15R2.119 O=C1OCC(O1)CN2CCC[C@@H]2CO 269982a_100000745186_100000073702 [0,1,0,1,0,0|2,0,0]=4 6746 B15R2.119 O=C1OCC(O1)CN2CCC[C@@H]2CO 34a_100000745186_100000073702 [0,1,0,1,0,0|2,0,0]=4 6747 B15R2.277 COC[C@@H]1CCCN1C2COC(=O)O2 34a_100020646714_100000032252 [0,1,0,1,0,0|2,0,0]=4 6748 B15R2.283 O=C1CC(CN1)CNC2CCCCC2 34a_100016993742_100000210327 [0,1,0,1,0,0|2,0,0]=4 6749 B15R2.283 O=C1CC(CN1)COC2CCCCC2 34a_100016041077_100000210327 [0,1,0,1,0,0|2,0,0]=4 6750 B15R2.283 O=C1CC(CN1)NCC2CCCCC2 2230a_100000697751_100000211423 [0,1,0,1,0,0|2,0,0]=4 6751 B15R2.283 O=C1CC(CN1)NCC2CCCCC2 269862a_100000697751_100000211278 [0,1,0,1,0,0|2,0,0]=4 6752 B15R2.283 O=C1CC(CN1)OCC2CCCCC2 34a_100000690082_100000211423 [0,1,0,1,0,0|2,0,0]=4 6753 B15R2.283 O=C1CCC(C1)OCC2CCCCC2 34a_100012614533_100000211423 [0,1,0,1,0,0|1,0,0]=3 6754 B15R2.283 O=C1CCC(C1)OCC2CCCCO2 34a_100012614533_100000211543 [0,1,0,1,0,0|2,0,0]=4 6755 B15R2.283 O=C1CCC(C1)OCC2CCCOC2 34a_100012614533_100000741521 [0,1,0,1,0,0|2,0,0]=4 6756 B15R2.283 O=C1CCC(C1)OCC2CCOCC2 34a_100012614533_100000754603 [0,1,0,1,0,0|2,0,0]=4 6757 B15R2.283 O=C1CCC(N1)COC2CCCCC2 34a_100000737831_100000210327 [0,1,0,1,0,0|1,0,0]=3 6758 B15R2.283 O=C1CCC(N1)COC2CCCOC2 34a_100000737831_100000693364 [0,1,0,1,0,0|2,0,0]=4 6759 B15R2.283 O=C1CCC(N1)COC2CCSCC2 34a_100000737831_100000069128 [0,1,0,1,0,0|2,0,0]=4 6760 B15R2.283 O=C1CC[C@@H](N1)CNC2CCCCC2 270004a_100015423886_100000210434 [0,1,0,1,0,0|1,0,0]=3 6761 B15R2.283 O=C1CC[C@@H](N1)CNC2CCCCC2 34a_100015423886_100000210327 [0,1,0,1,0,0|1,0,0]=3 6762 B15R2.283 O=C1CC[C@@H](N1)CNC2CCCOC2 270004a_100015423886_100000753404 [0,1,0,1,0,0|2,0,0]=4 6763 B15R2.283 O=C1CC[C@@H](N1)CNC2CCCOC2 34a_100015423886_100000693364 [0,1,0,1,0,0|2,0,0]=4 6764 B15R2.283 O=C1CC[C@@H](N1)CNC2CCCSC2 270004a_100015423886_100000057913 [0,1,0,1,0,0|2,0,0]=4 6765 B15R2.283 O=C1CC[C@@H](N1)CNC2CCNCC2 270004a_100015423886_100015192401 [0,1,0,1,0,0|2,0,0]=4 6766 B15R2.283 O=C1CC[C@@H](N1)CNC2CCOCC2 270004a_100015423886_100011217826 [0,1,0,1,0,0|2,0,0]=4 6767 B15R2.283 O=C1CC[C@@H](N1)CNC2CCSCC2 270004a_100015423886_100000203788 [0,1,0,1,0,0|2,0,0]=4 6768 B15R2.283 O=C1CC[C@@H](N1)CNC2CCSCC2 34a_100015423886_100000069128 [0,1,0,1,0,0|2,0,0]=4 6769 B15R2.283 O=C1CC[C@H](N1)CNC2CCCCC2 2230a_100000182618_100015189358 [0,1,0,1,0,0|1,0,0]=3 6770 B15R2.283 O=C1CC[C@H](N1)CNC2CCCOC2 2230a_100000719290_100015189358 [0,1,0,1,0,0|2,0,0]=4 6771 B15R2.283 O=C1CC[C@H](N1)CNC2CCOCC2 2230a_100000741149_100015189358 [0,1,0,1,0,0|2,0,0]=4 6772 B15R2.283 O=C1CC[C@H](N1)CNC2CCSCC2 2230a_100000748639_100015189358 [0,1,0,1,0,0|2,0,0]=4 6773 B15R2.283 O=C1CC[C@H](N1)COC2CCCCC2 7a_100000210231_100015189358 [0,1,0,1,0,0|1,0,0]=3 6774 B15R2.283 O=C1CC[C@H](N1)COC2CCCSC2 7a_100015962668_100015189358 [0,1,0,1,0,0|2,0,0]=4 6775 B15R2.283 O=C1CC[C@H](N1)COC2CCSCC2 7a_100000731022_100015189358 [0,1,0,1,0,0|2,0,0]=4 6776 B15R2.283 O=C1CC[C@H](N1)CSC2CCCCC2 62a_100000210327_100015189358 [0,1,0,1,0,0|1,0,0]=3 6777 B15R2.283 O=C1CC[C@H](N1)CSC2CCCCC2 62a_100015189358_100000210327 [0,1,0,1,0,0|1,0,0]=3 6778 B15R2.283 O=C1CC[C@H](N1)CSC2CCCOC2 62a_100015189358_100000693364 [0,1,0,1,0,0|2,0,0]=4 6779 B15R2.283 O=C1CC[C@H](N1)CSC2CCOCC2 62a_100015189358_100011324220 [0,1,0,1,0,0|2,0,0]=4 6780 B15R2.283 O=C1CC[C@H](N1)CSC2CCSCC2 62a_100015189358_100000069128 [0,1,0,1,0,0|2,0,0]=4 6781 B15R2.283 O=C1NCC(O1)CNC2CCCCC2 2230a_100000182618_100000181169 [0,1,0,1,0,0|1,0,0]=3 6782 B15R2.283 O=C1NCC(O1)CNC2CCCCC2 34a_100000182618_100000181169 [0,1,0,1,0,0|1,0,0]=3 6783 B15R2.283 O=C1NCC(O1)CNC2CCCOC2 2230a_100000719290_100000181169 [0,1,0,1,0,0|2,0,0]=4 6784 B15R2.283 O=C1NCC(O1)CNC2CCCOC2 34a_100000719290_100000181169 [0,1,0,1,0,0|2,0,0]=4 6785 B15R2.283 O=C1NCC(O1)CNC2CCOCC2 2230a_100000741149_100000181169 [0,1,0,1,0,0|2,0,0]=4 6786 B15R2.283 O=C1NCC(O1)CNC2CCOCC2 34a_100000741149_100000181169 [0,1,0,1,0,0|2,0,0]=4 6787 B15R2.283 O=C1NCC(O1)CNC2CCSCC2 2230a_100000748639_100000181169 [0,1,0,1,0,0|2,0,0]=4 6788 B15R2.283 O=C1NCC(O1)CNC2CCSCC2 34a_100000748639_100000181169 [0,1,0,1,0,0|2,0,0]=4 6789 B15R2.283 O=C1NCC(O1)COC2CCCCC2 34a_100000210231_100000181169 [0,1,0,1,0,0|1,0,0]=3 6790 B15R2.283 O=C1NCC(O1)COC2CCCCC2 34a_100011315639_100000210327 [0,1,0,1,0,0|1,0,0]=3 6791 B15R2.283 O=C1NCC(O1)COC2CCCCC2 7a_100000210231_100000181169 [0,1,0,1,0,0|1,0,0]=3 6792 B15R2.283 O=C1NCC(O1)COC2CCCCO2 34a_100000033831_100000181169 [0,1,0,1,0,0|2,0,0]=4 6793 B15R2.283 O=C1NCC(O1)COC2CCCOC2 34a_100000754041_100000181169 [0,1,0,1,0,0|2,0,0]=4 6794 B15R2.283 O=C1NCC(O1)COC2CCCOC2 34a_100011315639_100000693364 [0,1,0,1,0,0|2,0,0]=4 6795 B15R2.283 O=C1NCC(O1)COC2CCCSC2 7a_100015962668_100000181169 [0,1,0,1,0,0|2,0,0]=4 6796 B15R2.283 O=C1NCC(O1)COC2CCOCC2 34a_100000744328_100000181169 [0,1,0,1,0,0|2,0,0]=4 6797 B15R2.283 O=C1NCC(O1)COC2CCSCC2 34a_100000731022_100000181169 [0,1,0,1,0,0|2,0,0]=4 6798 B15R2.283 O=C1NCC(O1)COC2CCSCC2 34a_100011315639_100000069128 [0,1,0,1,0,0|2,0,0]=4 6799 B15R2.283 O=C1NCC(O1)COC2CCSCC2 7a_100000731022_100000181169 [0,1,0,1,0,0|2,0,0]=4 6800 B15R2.283 O=C1NCC(O1)CSC2CCCCC2 62a_100000181169_100000210327 [0,1,0,1,0,0|1,0,0]=3 6801 B15R2.283 O=C1NCC(O1)CSC2CCCCC2 62a_100000210327_100000181169 [0,1,0,1,0,0|1,0,0]=3 6802 B15R2.283 O=C1NCC(O1)CSC2CCCOC2 62a_100000181169_100000693364 [0,1,0,1,0,0|2,0,0]=4 6803 B15R2.283 O=C1NCC(O1)CSC2CCOCC2 62a_100000181169_100011324220 [0,1,0,1,0,0|2,0,0]=4 6804 B15R2.283 O=C1NCC(O1)CSC2CCSCC2 62a_100000181169_100000069128 [0,1,0,1,0,0|2,0,0]=4 6805 B15R2.283 O=C1N[C@H](CO1)CNC2CCCCC2 2230a_100000182618_100015307671 [0,1,0,1,0,0|2,0,0]=4 6806 B15R2.283 O=C1N[C@H](CO1)CNC2CCCCC2 34a_100000182618_100015307671 [0,1,0,1,0,0|2,0,0]=4 6807 B15R2.283 O=C1N[C@H](CO1)COC2CCCCC2 34a_100000210231_100015307671 [0,1,0,1,0,0|2,0,0]=4 6808 B15R2.283 O=C1N[C@H](CO1)COC2CCCCC2 7a_100000210231_100015307671 [0,1,0,1,0,0|2,0,0]=4 6809 B15R2.283 O=C1N[C@H](CO1)CSC2CCCCC2 62a_100000210327_100015307671 [0,1,0,1,0,0|2,0,0]=4 6810 B15R2.283 O=C1N[C@H](CO1)CSC2CCCCC2 62a_100015307671_100000210327 [0,1,0,1,0,0|2,0,0]=4 6811 B15R2.283 O=C1OCC(O1)CNC2CCCCC2 34a_100000182618_100000073702 [0,1,0,1,0,0|1,0,0]=3 6812 B15R2.283 O=C1OCC(O1)CNC2CCCOC2 34a_100000719290_100000073702 [0,1,0,1,0,0|2,0,0]=4 6813 B15R2.283 O=C1OCC(O1)CNC2CCOCC2 34a_100000741149_100000073702 [0,1,0,1,0,0|2,0,0]=4 6814 B15R2.283 O=C1OCC(O1)CNC2CCSCC2 34a_100000748639_100000073702 [0,1,0,1,0,0|2,0,0]=4 6815 B15R2.283 O=C1OCC(O1)COC2CCCCC2 34a_100000210231_100000073702 [0,1,0,1,0,0|1,0,0]=3 6816 B15R2.283 O=C1OCC(O1)COC2CCCCO2 34a_100000033831_100000073702 [0,1,0,1,0,0|2,0,0]=4 6817 B15R2.283 O=C1OCC(O1)COC2CCCOC2 34a_100000754041_100000073702 [0,1,0,1,0,0|2,0,0]=4 6818 B15R2.283 O=C1OCC(O1)COC2CCOCC2 34a_100000744328_100000073702 [0,1,0,1,0,0|2,0,0]=4 6819 B15R2.283 O=C1OCC(O1)COC2CCSCC2 34a_100000731022_100000073702 [0,1,0,1,0,0|2,0,0]=4 6820 B15R2.283 O=C1OCC(O1)CSC2CCCCC2 62a_100000073702_100000210327 [0,1,0,1,0,0|1,0,0]=3 6821 B15R2.283 O=C1OCC(O1)CSC2CCCCC2 62a_100000210327_100000073702 [0,1,0,1,0,0|1,0,0]=3 6822 B15R2.283 O=C1OCC(O1)CSC2CCCOC2 62a_100000073702_100000693364 [0,1,0,1,0,0|2,0,0]=4 6823 B15R2.283 O=C1OCC(O1)CSC2CCOCC2 62a_100000073702_100011324220 [0,1,0,1,0,0|2,0,0]=4 6824 B15R2.283 O=C1OCC(O1)CSC2CCSCC2 62a_100000073702_100000069128 [0,1,0,1,0,0|2,0,0]=4 6825 B15R2.283 O=C1OCC(O1)NCC2CCCCC2 34a_100000210473_100000032252 [0,1,0,1,0,0|1,0,0]=3 6826 B15R2.283 O=C1OCC(O1)NCC2CCCCO2 34a_100000174945_100000032252 [0,1,0,1,0,0|2,0,0]=4 6827 B15R2.283 O=C1OCC(O1)NCC2CCCOC2 34a_100000720124_100000032252 [0,1,0,1,0,0|2,0,0]=4 6828 B15R2.283 O=C1OCC(O1)NCC2CCOCC2 34a_100000746373_100000032252 [0,1,0,1,0,0|2,0,0]=4 6829 B15R2.283 O=C1OCC(O1)NCC2CCSCC2 34a_100015188806_100000032252 [0,1,0,1,0,0|2,0,0]=4 6830 B15R2.283 O=C1OCC(O1)OCC2CCCCC2 34a_100000212181_100000032252 [0,1,0,1,0,0|1,0,0]=3 6831 B15R2.283 O=C1OCC(O1)OCC2CCCCN2 34a_100000210821_100000032252 [0,1,0,1,0,0|2,0,0]=4 6832 B15R2.283 O=C1OCC(O1)OCC2CCCCO2 34a_100000211370_100000032252 [0,1,0,1,0,0|2,0,0]=4 6833 B15R2.283 O=C1OCC(O1)OCC2CCCNC2 34a_100000211344_100000032252 [0,1,0,1,0,0|2,0,0]=4 6834 B15R2.283 O=C1OCC(O1)OCC2CCCOC2 34a_100000741520_100000032252 [0,1,0,1,0,0|2,0,0]=4 6835 B15R2.283 O=C1OCC(O1)OCC2CCNCC2 34a_100000738675_100000032252 [0,1,0,1,0,0|2,0,0]=4 6836 B15R2.283 O=C1OCC(O1)OCC2CCOCC2 34a_100000749013_100000032252 [0,1,0,1,0,0|2,0,0]=4 6837 B15R2.283 O=C1OCC(O1)OCC2CCSCC2 34a_100000070558_100000032252 [0,1,0,1,0,0|2,0,0]=4 6838 B15R2.283 O=C1OCC(O1)SCC2CCCCC2 62a_100000211423_100000032252 [0,1,0,1,0,0|1,0,0]=3 6839 B15R2.283 O=C1OCC(O1)SCC2CCCCO2 62a_100000211543_100000032252 [0,1,0,1,0,0|2,0,0]=4 6840 B15R2.283 O=C1OCC(O1)SCC2CCCOC2 62a_100000741521_100000032252 [0,1,0,1,0,0|2,0,0]=4 6841 B15R2.283 O=C1OCC(O1)SCC2CCOCC2 62a_100000754603_100000032252 [0,1,0,1,0,0|2,0,0]=4 6842 B15R2.286 O=C1CC(CN1)CNCC2CCCC2 2230a_100016993742_100000740388 [0,1,0,1,0,0|2,0,0]=4 6843 B15R2.286 O=C1CC(CN1)CNCC2CCCC2 269862a_100016993742_100000746403 [0,1,0,1,0,0|2,0,0]=4 6844 B15R2.286 O=C1CC(CN1)CNCC2CCCC2 34a_100016993742_100000740388 [0,1,0,1,0,0|2,0,0]=4 6845 B15R2.286 O=C1CC(CN1)COCC2CCCC2 34a_100016041077_100000740388 [0,1,0,1,0,0|2,0,0]=4 6846 B15R2.286 O=C1CC(CN1)NCCC2CCCC2 2230a_100000697751_100000760354 [0,1,0,1,0,0|2,0,0]=4 6847 B15R2.286 O=C1CC(CN1)OCCC2CCCC2 34a_100000690082_100000760354 [0,1,0,1,0,0|2,0,0]=4 6848 B15R2.286 O=C1CCC(C1)OCCC2CCCC2 34a_100012614533_100000760354 [0,1,0,1,0,0|1,0,0]=3 6849 B15R2.286 O=C1CCC(N1)COCC2CCCC2 34a_100000737831_100000740388 [0,1,0,1,0,0|1,0,0]=3 6850 B15R2.286 O=C1CCC(N1)COCC2CCOC2 34a_100000737831_100011261433 [0,1,0,1,0,0|2,0,0]=4 6851 B15R2.286 O=C1CC[C@@H](N1)CNCC2CCCC2 2230a_100015423886_100000740388 [0,1,0,1,0,0|1,0,0]=3 6852 B15R2.286 O=C1CC[C@@H](N1)CNCC2CCCC2 269862a_100015423886_100000746403 [0,1,0,1,0,0|1,0,0]=3 6853 B15R2.286 O=C1CC[C@@H](N1)CNCC2CCCC2 34a_100015423886_100000740388 [0,1,0,1,0,0|1,0,0]=3 6854 B15R2.286 O=C1CC[C@@H](N1)CNCC2CCCO2 2230a_100015423886_100000203698 [0,1,0,1,0,0|2,0,0]=4 6855 B15R2.286 O=C1CC[C@@H](N1)CNCC2CCOC2 2230a_100015423886_100000702531 [0,1,0,1,0,0|2,0,0]=4 6856 B15R2.286 O=C1CC[C@@H](N1)CNCC2CCOC2 34a_100015423886_100011261433 [0,1,0,1,0,0|2,0,0]=4 6857 B15R2.286 O=C1CC[C@H](N1)CNCC2CCCC2 2230a_100000737975_100015189358 [0,1,0,1,0,0|1,0,0]=3 6858 B15R2.286 O=C1CC[C@H](N1)CNCC2CCOC2 2230a_100000737293_100015189358 [0,1,0,1,0,0|2,0,0]=4 6859 B15R2.286 O=C1CC[C@H](N1)CNC[C@@H]2CCCO2 2230a_100020590478_100015189358 [0,1,0,1,0,0|2,0,0]=4 6860 B15R2.286 O=C1CC[C@H](N1)COCC2CCCC2 7a_100000742336_100015189358 [0,1,0,1,0,0|1,0,0]=3 6861 B15R2.286 O=C1CC[C@H](N1)COCC2CCCO2 7a_100000210270_100015189358 [0,1,0,1,0,0|2,0,0]=4 6862 B15R2.286 O=C1CC[C@H](N1)CSCC2CCCC2 62a_100000740388_100015189358 [0,1,0,1,0,0|1,0,0]=3 6863 B15R2.286 O=C1CC[C@H](N1)CSCC2CCCC2 62a_100015189358_100000740388 [0,1,0,1,0,0|1,0,0]=3 6864 B15R2.286 O=C1CC[C@H](N1)CSCC2CCCO2 62a_100000203698_100015189358 [0,1,0,1,0,0|2,0,0]=4 6865 B15R2.286 O=C1CC[C@H](N1)CSCC2CCCO2 62a_100015189358_100000203698 [0,1,0,1,0,0|2,0,0]=4 6866 B15R2.286 O=C1CC[C@H](N1)CSCC2CCOC2 62a_100000702531_100015189358 [0,1,0,1,0,0|2,0,0]=4 6867 B15R2.286 O=C1CC[C@H](N1)CSCC2CCOC2 62a_100015189358_100000702531 [0,1,0,1,0,0|2,0,0]=4 6868 B15R2.286 O=C1NCC(O1)CNCC2CCCC2 2230a_100000737975_100000181169 [0,1,0,1,0,0|1,0,0]=3 6869 B15R2.286 O=C1NCC(O1)CNCC2CCCC2 34a_100000737975_100000181169 [0,1,0,1,0,0|1,0,0]=3 6870 B15R2.286 O=C1NCC(O1)CNCC2CCOC2 2230a_100000737293_100000181169 [0,1,0,1,0,0|2,0,0]=4 6871 B15R2.286 O=C1NCC(O1)CNCC2CCOC2 34a_100000737293_100000181169 [0,1,0,1,0,0|2,0,0]=4 6872 B15R2.286 O=C1NCC(O1)CNC[C@@H]2CCCO2 2230a_100020590478_100000181169 [0,1,0,1,0,0|2,0,0]=4 6873 B15R2.286 O=C1NCC(O1)CNC[C@@H]2CCCO2 34a_100020590478_100000181169 [0,1,0,1,0,0|2,0,0]=4 6874 B15R2.286 O=C1NCC(O1)COCC2CCCC2 34a_100000742336_100000181169 [0,1,0,1,0,0|1,0,0]=3 6875 B15R2.286 O=C1NCC(O1)COCC2CCCC2 34a_100011315639_100000740388 [0,1,0,1,0,0|1,0,0]=3 6876 B15R2.286 O=C1NCC(O1)COCC2CCCC2 7a_100000742336_100000181169 [0,1,0,1,0,0|1,0,0]=3 6877 B15R2.286 O=C1NCC(O1)COCC2CCCO2 34a_100000210270_100000181169 [0,1,0,1,0,0|2,0,0]=4 6878 B15R2.286 O=C1NCC(O1)COCC2CCCO2 7a_100000210270_100000181169 [0,1,0,1,0,0|2,0,0]=4 6879 B15R2.286 O=C1NCC(O1)COCC2CCNC2 34a_100000748654_100000181169 [0,1,0,1,0,0|2,0,0]=4 6880 B15R2.286 O=C1NCC(O1)COCC2CCOC2 34a_100000740260_100000181169 [0,1,0,1,0,0|2,0,0]=4 6881 B15R2.286 O=C1NCC(O1)COCC2CCOC2 34a_100011315639_100011261433 [0,1,0,1,0,0|2,0,0]=4 6882 B15R2.286 O=C1NCC(O1)COC[C@H]2CCCN2 34a_100000745186_100000181169 [0,1,0,1,0,0|2,0,0]=4 6883 B15R2.286 O=C1NCC(O1)CSCC2CCCC2 62a_100000181169_100000740388 [0,1,0,1,0,0|1,0,0]=3 6884 B15R2.286 O=C1NCC(O1)CSCC2CCCC2 62a_100000740388_100000181169 [0,1,0,1,0,0|1,0,0]=3 6885 B15R2.286 O=C1NCC(O1)CSCC2CCCO2 62a_100000181169_100000203698 [0,1,0,1,0,0|2,0,0]=4 6886 B15R2.286 O=C1NCC(O1)CSCC2CCCO2 62a_100000203698_100000181169 [0,1,0,1,0,0|2,0,0]=4 6887 B15R2.286 O=C1NCC(O1)CSCC2CCOC2 62a_100000181169_100000702531 [0,1,0,1,0,0|2,0,0]=4 6888 B15R2.286 O=C1NCC(O1)CSCC2CCOC2 62a_100000702531_100000181169 [0,1,0,1,0,0|2,0,0]=4 6889 B15R2.286 O=C1N[C@H](CO1)CNCC2CCCC2 2230a_100000737975_100015307671 [0,1,0,1,0,0|2,0,0]=4 6890 B15R2.286 O=C1N[C@H](CO1)CNCC2CCCC2 34a_100000737975_100015307671 [0,1,0,1,0,0|2,0,0]=4 6891 B15R2.286 O=C1N[C@H](CO1)COCC2CCCC2 34a_100000742336_100015307671 [0,1,0,1,0,0|2,0,0]=4 6892 B15R2.286 O=C1N[C@H](CO1)COCC2CCCC2 7a_100000742336_100015307671 [0,1,0,1,0,0|2,0,0]=4 6893 B15R2.286 O=C1N[C@H](CO1)CSCC2CCCC2 62a_100000740388_100015307671 [0,1,0,1,0,0|2,0,0]=4 6894 B15R2.286 O=C1N[C@H](CO1)CSCC2CCCC2 62a_100015307671_100000740388 [0,1,0,1,0,0|2,0,0]=4 6895 B15R2.286 O=C1OCC(O1)CNCC2CCCC2 34a_100000737975_100000073702 [0,1,0,1,0,0|1,0,0]=3 6896 B15R2.286 O=C1OCC(O1)CNCC2CCOC2 34a_100000737293_100000073702 [0,1,0,1,0,0|2,0,0]=4 6897 B15R2.286 O=C1OCC(O1)CNC[C@@H]2CCCO2 34a_100020590478_100000073702 [0,1,0,1,0,0|2,0,0]=4 6898 B15R2.286 O=C1OCC(O1)COCC2CCCC2 34a_100000742336_100000073702 [0,1,0,1,0,0|1,0,0]=3 6899 B15R2.286 O=C1OCC(O1)COCC2CCCO2 34a_100000210270_100000073702 [0,1,0,1,0,0|2,0,0]=4 6900 B15R2.286 O=C1OCC(O1)COCC2CCNC2 34a_100000748654_100000073702 [0,1,0,1,0,0|2,0,0]=4 6901 B15R2.286 O=C1OCC(O1)COCC2CCOC2 34a_100000740260_100000073702 [0,1,0,1,0,0|2,0,0]=4 6902 B15R2.286 O=C1OCC(O1)COC[C@H]2CCCN2 34a_100000745186_100000073702 [0,1,0,1,0,0|2,0,0]=4 6903 B15R2.286 O=C1OCC(O1)CSCC2CCCC2 62a_100000073702_100000740388 [0,1,0,1,0,0|1,0,0]=3 6904 B15R2.286 O=C1OCC(O1)CSCC2CCCC2 62a_100000740388_100000073702 [0,1,0,1,0,0|1,0,0]=3 6905 B15R2.286 O=C1OCC(O1)CSCC2CCCO2 62a_100000073702_100000203698 [0,1,0,1,0,0|2,0,0]=4 6906 B15R2.286 O=C1OCC(O1)CSCC2CCCO2 62a_100000203698_100000073702 [0,1,0,1,0,0|2,0,0]=4 6907 B15R2.286 O=C1OCC(O1)CSCC2CCOC2 62a_100000073702_100000702531 [0,1,0,1,0,0|2,0,0]=4 6908 B15R2.286 O=C1OCC(O1)CSCC2CCOC2 62a_100000702531_100000073702 [0,1,0,1,0,0|2,0,0]=4 6909 B15R2.286 O=C1OCC(O1)NCCC2CCCC2 34a_100000739158_100000032252 [0,1,0,1,0,0|1,0,0]=3 6910 B15R2.286 O=C1OCC(O1)OCCC2CCCC2 34a_100000749090_100000032252 [0,1,0,1,0,0|1,0,0]=3 6911 B15R2.286 O=C1OCC(O1)OCCC2CCNC2 34a_100016987287_100000032252 [0,1,0,1,0,0|2,0,0]=4 6912 B15R2.286 O=C1OCC(O1)OCCC2CCOC2 34a_100011879284_100000032252 [0,1,0,1,0,0|2,0,0]=4 6913 B15R2.286 O=C1OCC(O1)SCCC2CCCC2 62a_100000760354_100000032252 [0,1,0,1,0,0|1,0,0]=3 6914 B15R2.286 O=C1OCC(O1)SCCN2CCCC2 62a_100000700749_100000032252 [0,1,0,1,0,0|2,0,0]=4 6915 B15R2.286 O=S1OCC(O1)CCOC2CCCC2 7a_100000210269_100009840081 [0,1,0,1,0,0|2,0,0]=4 6916 B15R2.286 O=S1OCC(O1)CCSC2CCCC2 62a_100011217020_100009840081 [0,1,0,1,0,0|2,0,0]=4 6917 B15R2.287 CC1CCCC1NCC2CNC(=O)C2 269862a_100016993742_100000752053 [0,1,0,1,0,0|2,0,0]=4 6918 B15R2.287 CC1CCCC1NC[C@H]2CCC(=O)N2 269862a_100015423886_100000752053 [0,1,0,1,0,0|1,0,0]=3 6919 B15R2.287 CC1CCCC1OCC2CNC(=O)O2 34a_100011216460_100000181169 [0,1,0,1,0,0|1,0,0]=3 6920 B15R2.287 CC1CCCC1OCC2CNC(=O)O2 7a_100011216460_100000181169 [0,1,0,1,0,0|1,0,0]=3 6921 B15R2.287 CC1CCCC1OCC2COC(=O)O2 34a_100011216460_100000073702 [0,1,0,1,0,0|1,0,0]=3 6922 B15R2.287 CC1CCCC1OC[C@@H]2CCC(=O)N2 7a_100011216460_100015189358 [0,1,0,1,0,0|1,0,0]=3 6923 B15R2.287 CC1CCCC1OC[C@H]2COC(=O)N2 34a_100011216460_100015307671 [0,1,0,1,0,0|2,0,0]=4 6924 B15R2.287 CC1CCCC1OC[C@H]2COC(=O)N2 7a_100011216460_100015307671 [0,1,0,1,0,0|2,0,0]=4 6925 B15R2.287 CC1OCCC1NC[C@H]2CCC(=O)N2 270004a_100015423886_100000691750 [0,1,0,1,0,0|2,0,0]=4 6926 B15R2.287 CN1CCCC1COC2COC(=O)O2 34a_100000743107_100000032252 [0,1,0,1,0,0|2,0,0]=4 6927 B15R2.287 C[C@@H]1CCCN1CCC2COS(=O)O2 269982a_100015189458_100009840081 [0,1,0,1,0,0|2,0,0]=4 6928 B15R2.287 C[C@@H]1CNC[C@@H]1OCC2CNC(=O)O2 34a_200015306588_100000181169 [0,1,0,1,0,0|2,0,0]=4 6929 B15R2.287 C[C@@H]1CNC[C@@H]1OCC2COC(=O)O2 34a_200015306588_100000073702 [0,1,0,1,0,0|2,0,0]=4 6930 B15R2.287 C[C@H]1CCCN1CCC2COS(=O)O2 269982a_100020605311_100009840081 [0,1,0,1,0,0|2,0,0]=4 6931 B15R2.287 N[C@H]1CCC[C@@H]1OCC2CNC(=O)O2 34a_100000748460_100000181169 [0,1,0,1,0,0|2,0,0]=4 6932 B15R2.287 N[C@H]1CCC[C@@H]1OCC2COC(=O)O2 34a_100000748460_100000073702 [0,1,0,1,0,0|2,0,0]=4 6933 B15R2.287 O=C1CC[C@H](N1)CS[C@@H]2CCC[C@H]2O 62a_100015189358_200016002552 [0,1,0,1,0,0|2,0,0]=4 6934 B15R2.287 O=C1CC[C@H](N1)CS[C@@H]2CCC[C@H]2O 62a_200016002552_100015189358 [0,1,0,1,0,0|2,0,0]=4 6935 B15R2.287 O=C1NCC(O1)CO[C@@H]2CCC[C@H]2Cl 34a_200016002552_100000181169 [0,1,0,1,0,0|2,0,0]=4 6936 B15R2.287 O=C1NCC(O1)CS[C@@H]2CCC[C@H]2O 62a_100000181169_200016002552 [0,1,0,1,0,0|2,0,0]=4 6937 B15R2.287 O=C1NCC(O1)CS[C@@H]2CCC[C@H]2O 62a_200016002552_100000181169 [0,1,0,1,0,0|2,0,0]=4 6938 B15R2.287 O=C1OCC(O1)CO[C@@H]2CCC[C@H]2Cl 34a_200016002552_100000073702 [0,1,0,1,0,0|2,0,0]=4 6939 B15R2.287 O=C1OCC(O1)CS[C@@H]2CCC[C@H]2O 62a_100000073702_200016002552 [0,1,0,1,0,0|2,0,0]=4 6940 B15R2.287 O=C1OCC(O1)CS[C@@H]2CCC[C@H]2O 62a_200016002552_100000073702 [0,1,0,1,0,0|2,0,0]=4 6941 B15R2.305 CC1CCCCC1NC2CNC(=O)C2 269862a_100000697751_100000210921 [0,1,0,1,0,0|2,0,0]=4 6942 B15R2.305 CC1CCCCC1NC2COC(=O)O2 34a_100000211402_100000032252 [0,1,0,1,0,0|1,0,0]=3 6943 B15R2.305 CC1CCCCC1OC2COC(=O)O2 34a_100000211207_100000032252 [0,1,0,1,0,0|1,0,0]=3 6944 B15R2.305 CC1CCCCN1CC2CNC(=O)O2 2230a_100000211376_100000181169 [0,1,0,1,0,0|1,0,0]=3 6945 B15R2.305 CC1CCCCN1CC2CNC(=O)O2 269982a_100000211376_100000181169 [0,1,0,1,0,0|1,0,0]=3 6946 B15R2.305 CC1CCCCN1CC2CNC(=O)O2 34a_100000211376_100000181169 [0,1,0,1,0,0|1,0,0]=3 6947 B15R2.305 CC1CCCCN1CC2COC(=O)O2 269982a_100000211376_100000073702 [0,1,0,1,0,0|1,0,0]=3 6948 B15R2.305 CC1CCCCN1CC2COC(=O)O2 34a_100000211376_100000073702 [0,1,0,1,0,0|1,0,0]=3 6949 B15R2.305 CC1CCCCN1C[C@@H]2CCC(=O)N2 2230a_100000211376_100015189358 [0,1,0,1,0,0|1,0,0]=3 6950 B15R2.305 CC1CCCCN1C[C@@H]2CCC(=O)N2 269982a_100000211376_100015189358 [0,1,0,1,0,0|1,0,0]=3 6951 B15R2.305 CC1CCCCN1C[C@H]2COC(=O)N2 2230a_100000211376_100015307671 [0,1,0,1,0,0|2,0,0]=4 6952 B15R2.305 CC1CCCCN1C[C@H]2COC(=O)N2 269982a_100000211376_100015307671 [0,1,0,1,0,0|2,0,0]=4 6953 B15R2.305 CC1CCCCN1C[C@H]2COC(=O)N2 34a_100000211376_100015307671 [0,1,0,1,0,0|2,0,0]=4 6954 B15R2.305 CC1CCNCC1OC2COC(=O)O2 34a_100000696640_100000032252 [0,1,0,1,0,0|2,0,0]=4 6955 B15R2.305 CC1CNCCC1OC2COC(=O)O2 34a_100011998114_100000032252 [0,1,0,1,0,0|2,0,0]=4 6956 B15R2.305 C[C@H]1COCCN1CC2CNC(=O)O2 2230a_100009815349_100000181169 [0,1,0,1,0,0|2,0,0]=4 6957 B15R2.305 C[C@H]1COCCN1CC2CNC(=O)O2 269982a_100009815349_100000181169 [0,1,0,1,0,0|2,0,0]=4 6958 B15R2.305 C[C@H]1COCCN1CC2CNC(=O)O2 34a_100009815349_100000181169 [0,1,0,1,0,0|2,0,0]=4 6959 B15R2.305 C[C@H]1COCCN1CC2COC(=O)O2 269982a_100009815349_100000073702 [0,1,0,1,0,0|2,0,0]=4 6960 B15R2.305 C[C@H]1COCCN1CC2COC(=O)O2 34a_100009815349_100000073702 [0,1,0,1,0,0|2,0,0]=4 6961 B15R2.305 C[C@H]1COCCN1C[C@@H]2CCC(=O)N2 2230a_100009815349_100015189358 [0,1,0,1,0,0|2,0,0]=4 6962 B15R2.305 C[C@H]1COCCN1C[C@@H]2CCC(=O)N2 269982a_100009815349_100015189358 [0,1,0,1,0,0|2,0,0]=4 6963 B15R2.305 N[C@@H]1CCCC[C@@H]1OC2COC(=O)O2 34a_100015191688_100000032252 [0,1,0,1,0,0|2,0,0]=4 6964 B15R2.305 O=C1CCC(C1)OC2CCCCC2F 34a_100012614533_100015423560 [0,1,0,1,0,0|2,0,0]=4 6965 B15R2.305 O=C1CCC(C1)OC2CCCCC2O 34a_100012614533_100000038908 [0,1,0,1,0,0|2,0,0]=4 6966 B15R2.305 O=C1OCC(O1)N[C@@H]2CCCC[C@H]2F 34a_100015195156_100000032252 [0,1,0,1,0,0|2,0,0]=4 6967 B15R2.305 O=C1OCC(O1)OC2CCCCC2Cl 34a_100000038908_100000032252 [0,1,0,1,0,0|2,0,0]=4 6968 B15R2.305 O=C1OCC(O1)O[C@@H]2CCCC[C@H]2F 34a_100009816020_100000032252 [0,1,0,1,0,0|2,0,0]=4 6969 B15R2.305 O=C1OCC(O1)SC2CCCCC2F 62a_100015423560_100000032252 [0,1,0,1,0,0|2,0,0]=4 6970 B15R2.305 O=C1OCC(O1)SC2CCCCC2O 62a_100000038908_100000032252 [0,1,0,1,0,0|2,0,0]=4 6971 B15R2.1293 CCCCCCN1CC2CCC(C1)O2 2230a_100015188616_100000210314 [0,1,0,1,0,0|1,0,1]=4 6972 B15R2.1293 CCCCCCN1CC2CCC(C1)O2 269982a_100015188616_100000210757 [0,1,0,1,0,0|1,0,1]=4 6973 B15R2.1293 CCCCCCN1CC2CCC(C1)O2 34a_100015188616_100000210314 [0,1,0,1,0,0|1,0,1]=4 6974 B15R2.1293 CCCCCNC1CC2CCC(C1)O2 270004a_100000209983_100010474450 [0,1,0,1,0,0|1,0,1]=4 6975 B15R2.2189 CCC1CCCCN1C2COC(=O)O2 34a_100000210034_100000032252 [0,1,0,1,0,0|1,0,0]=3 6976 B15R2.2189 CC[C@H]1COCCN1C2COC(=O)O2 34a_100016988097_100000032252 [0,1,0,1,0,0|2,0,0]=4 6977 B15R2.2189 O=C1OCC(O1)N2CCCCC2CO 34a_100000210821_100000032252 [0,1,0,1,0,0|2,0,0]=4 6978 B15R2.6921 CC1CC1COCCC2COS(=O)O2 7a_100000744939_100009840081 [0,1,0,1,0,0|2,0,0]=4 6979 B15R2.6947 O=C1CCC(N1)COCCCC2CO2 34a_100000737831_100000733510 [0,1,0,1,0,0|2,0,0]=4 6980 B15R2.6947 O=C1CC[C@@H](N1)CNCCCC2CO2 2230a_100015423886_100000733510 [0,1,0,1,0,0|2,0,0]=4 6981 B15R2.6947 O=C1CC[C@@H](N1)CNCCCC2CO2 34a_100015423886_100000733510 [0,1,0,1,0,0|2,0,0]=4 6982 B15R2.6947 O=C1CC[C@H](N1)CSCCCC2CO2 62a_100000733510_100015189358 [0,1,0,1,0,0|2,0,0]=4 6983 B15R2.6947 O=C1CC[C@H](N1)CSCCCC2CO2 62a_100015189358_100000733510 [0,1,0,1,0,0|2,0,0]=4 6984 B15R2.6947 O=C1NCC(O1)COCCCC2CO2 34a_100011315639_100000733510 [0,1,0,1,0,0|2,0,0]=4 6985 B15R2.6947 O=C1NCC(O1)COCCNC2CC2 34a_100000738766_100000181169 [0,1,0,1,0,0|2,0,0]=4 6986 B15R2.6947 O=C1NCC(O1)CSCCCC2CO2 62a_100000181169_100000733510 [0,1,0,1,0,0|2,0,0]=4 6987 B15R2.6947 O=C1NCC(O1)CSCCCC2CO2 62a_100000733510_100000181169 [0,1,0,1,0,0|2,0,0]=4 6988 B15R2.6947 O=C1OCC(O1)COCCNC2CC2 34a_100000738766_100000073702 [0,1,0,1,0,0|2,0,0]=4 6989 B15R2.6947 O=C1OCC(O1)CSCCCC2CO2 62a_100000073702_100000733510 [0,1,0,1,0,0|2,0,0]=4 6990 B15R2.6947 O=C1OCC(O1)CSCCCC2CO2 62a_100000733510_100000073702 [0,1,0,1,0,0|2,0,0]=4 6991 B15R2.6947 O=S1OCC(O1)CCOCCC2CC2 7a_100000754188_100009840081 [0,1,0,1,0,0|2,0,0]=4 6992 B15R2.6947 O=S1OCC(O1)CCSCCC2CC2 62a_100000764125_100009840081 [0,1,0,1,0,0|2,0,0]=4 6993 B15R2.6962 O=C1CC(CN1)OC2CCCCCC2 34a_100000690082_100011217769 [0,1,0,1,0,0|2,0,0]=4 6994 B15R2.6962 O=C1CCC(C1)OC2CCCCCC2 34a_100012614533_100011217769 [0,1,0,1,0,0|1,0,0]=3 6995 B15R2.6962 O=C1CC[C@H](N1)CN2CCCCCC2 2230a_100000185865_100015189358 [0,1,0,1,0,0|1,0,0]=3 6996 B15R2.6962 O=C1CC[C@H](N1)CN2CCCCCC2 269982a_100000185865_100015189358 [0,1,0,1,0,0|1,0,0]=3 6997 B15R2.6962 O=C1CC[C@H](N1)CN2CCCOCC2 2230a_100000685342_100015189358 [0,1,0,1,0,0|2,0,0]=4 6998 B15R2.6962 O=C1CC[C@H](N1)CN2CCCOCC2 269982a_100000685342_100015189358 [0,1,0,1,0,0|2,0,0]=4 6999 B15R2.6962 O=C1NCC(O1)CN2CCCCCC2 2230a_100000185865_100000181169 [0,1,0,1,0,0|1,0,0]=3 7000 B15R2.6962 O=C1NCC(O1)CN2CCCCCC2 269982a_100000185865_100000181169 [0,1,0,1,0,0|1,0,0]=3 7001 B15R2.6962 O=C1NCC(O1)CN2CCCCCC2 34a_100000185865_100000181169 [0,1,0,1,0,0|1,0,0]=3 7002 B15R2.6962 O=C1NCC(O1)CN2CCCOCC2 2230a_100000685342_100000181169 [0,1,0,1,0,0|2,0,0]=4 7003 B15R2.6962 O=C1NCC(O1)CN2CCCOCC2 269982a_100000685342_100000181169 [0,1,0,1,0,0|2,0,0]=4 7004 B15R2.6962 O=C1NCC(O1)CN2CCCOCC2 34a_100000685342_100000181169 [0,1,0,1,0,0|2,0,0]=4 7005 B15R2.6962 O=C1N[C@H](CO1)CN2CCCCCC2 2230a_100000185865_100015307671 [0,1,0,1,0,0|2,0,0]=4 7006 B15R2.6962 O=C1N[C@H](CO1)CN2CCCCCC2 269982a_100000185865_100015307671 [0,1,0,1,0,0|2,0,0]=4 7007 B15R2.6962 O=C1N[C@H](CO1)CN2CCCCCC2 34a_100000185865_100015307671 [0,1,0,1,0,0|2,0,0]=4 7008 B15R2.6962 O=C1OCC(O1)CN2CCCCCC2 269982a_100000185865_100000073702 [0,1,0,1,0,0|1,0,0]=3 7009 B15R2.6962 O=C1OCC(O1)CN2CCCCCC2 34a_100000185865_100000073702 [0,1,0,1,0,0|1,0,0]=3 7010 B15R2.6962 O=C1OCC(O1)CN2CCCOCC2 269982a_100000685342_100000073702 [0,1,0,1,0,0|2,0,0]=4 7011 B15R2.6962 O=C1OCC(O1)CN2CCCOCC2 34a_100000685342_100000073702 [0,1,0,1,0,0|2,0,0]=4 7012 B15R2.6962 O=C1OCC(O1)NC2CCCCCC2 34a_100000210984_100000032252 [0,1,0,1,0,0|1,0,0]=3 7013 B15R2.6962 O=C1OCC(O1)OC2CCCCCC2 34a_100000210887_100000032252 [0,1,0,1,0,0|1,0,0]=3 7014 B15R2.6962 O=C1OCC(O1)SC2CCCCCC2 62a_100011217769_100000032252 [0,1,0,1,0,0|1,0,0]=3 7015 B15R2.41334 O=C1NCC(O1)COCCC2COC2 34a_100009855314_100000181169 [0,1,0,1,0,0|2,0,0]=4 7016 B15R2.41334 O=C1OCC(O1)COCCC2COC2 34a_100009855314_100000073702 [0,1,0,1,0,0|2,0,0]=4 7017 B15R2.41334 O=S1OCC(O1)CCSCC2CCC2 62a_100000763275_100009840081 [0,1,0,1,0,0|2,0,0]=4 7018 B15R2.288 CC1CCC(C1)NC[C@H]2CCC(=O)N2 270004a_100015423886_100011215218 [0,1,0,1,0,0|2,0,0]=4 7019 B15R2.288 CC1CCC(C1)OCC2CNC(=O)O2 34a_100000698185_100000181169 [0,1,0,1,0,0|2,0,0]=4 7020 B15R2.288 CC1CCC(C1)OCC2COC(=O)O2 34a_100000698185_100000073702 [0,1,0,1,0,0|2,0,0]=4 7021 B15R2.288 O=C1CC[C@@H](N1)CNC2CCC(C2)O 270004a_100015423886_100012614533 [0,1,0,1,0,0|2,0,0]=4 7022 B15R2.288 O=C1CC[C@H](N1)CN[C@H]2CC[C@H](C2)O 2230a_100015195300_100015189358 [0,1,0,1,0,0|2,0,0]=4 7023 B15R2.288 O=C1NCC(O1)CN[C@H]2CC[C@H](C2)O 2230a_100015195300_100000181169 [0,1,0,1,0,0|2,0,0]=4 7024 B15R2.292 CC(C)C1CCCN1C2COC(=O)O2 34a_100000762757_100000032252 [0,1,0,1,0,0|2,0,0]=4 7025 B15R2.1115 CC1CCCC(C1)NC2COC(=O)O2 34a_100011194320_100000032252 [0,1,0,1,0,0|2,0,0]=4 7026 B15R2.1115 CC1CCCC(C1)OC2COC(=O)O2 34a_100000211399_100000032252 [0,1,0,1,0,0|2,0,0]=4 7027 B15R2.1115 C[C@H]1CCCN(C1)CC2CNC(=O)O2 2230a_100000717927_100000181169 [0,1,0,1,0,0|2,0,0]=4 7028 B15R2.1115 C[C@H]1CCCN(C1)CC2CNC(=O)O2 269982a_100000717927_100000181169 [0,1,0,1,0,0|2,0,0]=4 7029 B15R2.1115 C[C@H]1CCCN(C1)CC2CNC(=O)O2 34a_100000717927_100000181169 [0,1,0,1,0,0|2,0,0]=4 7030 B15R2.1115 C[C@H]1CCCN(C1)CC2COC(=O)O2 269982a_100000717927_100000073702 [0,1,0,1,0,0|2,0,0]=4 7031 B15R2.1115 C[C@H]1CCCN(C1)CC2COC(=O)O2 34a_100000717927_100000073702 [0,1,0,1,0,0|2,0,0]=4 7032 B15R2.1115 C[C@H]1CCCN(C1)C[C@@H]2CCC(=O)N2 2230a_100000717927_100015189358 [0,1,0,1,0,0|2,0,0]=4 7033 B15R2.1115 C[C@H]1CCCN(C1)C[C@@H]2CCC(=O)N2 269982a_100000717927_100015189358 [0,1,0,1,0,0|2,0,0]=4 7034 B15R2.1115 O=C1CC[C@H](N1)CN2CCCC(C2)F 2230a_100000697950_100015189358 [0,1,0,1,0,0|2,0,0]=4 7035 B15R2.1115 O=C1CC[C@H](N1)CN2CCCC(C2)F 269982a_100000697950_100015189358 [0,1,0,1,0,0|2,0,0]=4 7036 B15R2.1115 O=C1CC[C@H](N1)CN2CCCC(C2)O 2230a_100000211013_100015189358 [0,1,0,1,0,0|2,0,0]=4 7037 B15R2.1115 O=C1CC[C@H](N1)CN2CCCC(C2)O 269982a_100000211013_100015189358 [0,1,0,1,0,0|2,0,0]=4 7038 B15R2.1115 O=C1NCC(O1)CN2CCCC(C2)F 2230a_100000697950_100000181169 [0,1,0,1,0,0|2,0,0]=4 7039 B15R2.1115 O=C1NCC(O1)CN2CCCC(C2)F 269982a_100000697950_100000181169 [0,1,0,1,0,0|2,0,0]=4 7040 B15R2.1115 O=C1NCC(O1)CN2CCCC(C2)F 34a_100000697950_100000181169 [0,1,0,1,0,0|2,0,0]=4 7041 B15R2.1115 O=C1NCC(O1)CN2CCCC(C2)O 2230a_100000211013_100000181169 [0,1,0,1,0,0|2,0,0]=4 7042 B15R2.1115 O=C1NCC(O1)CN2CCCC(C2)O 269982a_100000211013_100000181169 [0,1,0,1,0,0|2,0,0]=4 7043 B15R2.1115 O=C1OCC(O1)CN2CCCC(C2)F 269982a_100000697950_100000073702 [0,1,0,1,0,0|2,0,0]=4 7044 B15R2.1115 O=C1OCC(O1)CN2CCCC(C2)F 34a_100000697950_100000073702 [0,1,0,1,0,0|2,0,0]=4 7045 B15R2.1115 O=C1OCC(O1)CN2CCCC(C2)O 269982a_100000211013_100000073702 [0,1,0,1,0,0|2,0,0]=4 7046 B15R2.6882 CC1(CCCC1OC2COC(=O)O2)C 34a_100000726220_100000032252 [0,1,0,1,0,0|2,0,0]=4 7047 B15R2.6882 CC1(CCCN1CC2CNC(=O)O2)C 2230a_100000761399_100000181169 [0,1,0,1,0,0|2,0,0]=4 7048 B15R2.6882 CC1(CCCN1CC2CNC(=O)O2)C 269982a_100000761399_100000181169 [0,1,0,1,0,0|2,0,0]=4 7049 B15R2.6882 CC1(CCCN1CC2CNC(=O)O2)C 34a_100000761399_100000181169 [0,1,0,1,0,0|2,0,0]=4 7050 B15R2.6882 CC1(CCCN1CC2COC(=O)O2)C 269982a_100000761399_100000073702 [0,1,0,1,0,0|2,0,0]=4 7051 B15R2.6882 CC1(CCCN1CC2COC(=O)O2)C 34a_100000761399_100000073702 [0,1,0,1,0,0|2,0,0]=4 7052 B15R2.6882 CC1(CCCN1C[C@@H]2CCC(=O)N2)C 2230a_100000761399_100015189358 [0,1,0,1,0,0|2,0,0]=4 7053 B15R2.6882 CC1(CCCN1C[C@@H]2CCC(=O)N2)C 269982a_100000761399_100015189358 [0,1,0,1,0,0|2,0,0]=4 7054 B15R2.6882 C[C@]1(CCC[C@H]1NC2COC(=O)O2)O 34a_100015977457_100000032252 [0,1,0,1,0,0|2,0,0]=4 7055 B15R2.6905 O=C1CC[C@H](N1)CNCC2CC(C2)O 2230a_100016992100_100015189358 [0,1,0,1,0,0|2,0,0]=4 7056 B15R2.6905 O=C1NCC(O1)CNCC2CC(C2)O 2230a_100016992100_100000181169 [0,1,0,1,0,0|2,0,0]=4 7057 B15R2.6905 O=C1NCC(O1)COCC2CC(C2)Cl 34a_100009874164_100000181169 [0,1,0,1,0,0|2,0,0]=4 7058 B15R2.6905 O=C1OCC(O1)COCC2CC(C2)Cl 34a_100009874164_100000073702 [0,1,0,1,0,0|2,0,0]=4 7059 B15R2.6953 CC1(CC1COCC2CNC(=O)O2)C 34a_100000728257_100000181169 [0,1,0,1,0,0|2,0,0]=4 7060 B15R2.6953 CC1(CC1COCC2CNC(=O)O2)C 7a_100000728257_100000181169 [0,1,0,1,0,0|2,0,0]=4 7061 B15R2.6953 CC1(CC1COCC2COC(=O)O2)C 34a_100000728257_100000073702 [0,1,0,1,0,0|2,0,0]=4 7062 B15R2.6953 CC1(CC1COC[C@@H]2CCC(=O)N2)C 7a_100000728257_100015189358 [0,1,0,1,0,0|2,0,0]=4 7063 B15R2.3442 CCCCC(=O)[C@@H]1C[C@@H]2CC1C(=O)O2 1458a_200045396503_100000210211 [0,1,0,1,0,0|0,0,1]=3 7064 B15R2.3442 CCCCC(=O)[C@@H]1C[C@@H]2C[C@H]1C(=O)O2 1458a_200121570381_100000210211 [0,1,0,1,0,0|0,0,1]=3 7065 B15R2.3442 CCCNC(=O)[C@@H]1C[C@@H]2CC1C(=O)O2 11a_100020643023_200045396503 [0,1,0,1,0,0|1,0,1]=4 7066 B15R2.3442 CCCNC(=O)[C@@H]1C[C@@H]2CC1C(=O)O2 1626a_100020643023_200045396503 [0,1,0,1,0,0|1,0,1]=4 7067 B15R2.3442 CCCNC(=O)[C@@H]1C[C@@H]2CC1C(=O)O2 240690a_100020643023_200045396503 [0,1,0,1,0,0|1,0,1]=4 7068 B15R2.3442 CCCNC(=O)[C@@H]1C[C@@H]2CC1C(=O)O2 527a_100020643023_200045396503 [0,1,0,1,0,0|1,0,1]=4 7069 B15R2.3442 CCCNC(=O)[C@@H]1C[C@@H]2C[C@H]1C(=O)O2 240690a_100020643023_200121570381 [0,1,0,1,0,0|1,0,1]=4 7070 B15R2.3442 COCCC(=O)[C@@H]1C[C@@H]2CC1C(=O)O2 1458a_200045396503_100000233755 [0,1,0,1,0,0|1,0,1]=4 7071 B15R2.3442 COCCC(=O)[C@@H]1C[C@@H]2C[C@H]1C(=O)O2 1458a_200121570381_100000233755 [0,1,0,1,0,0|1,0,1]=4 7072 B15R2.3442 CSCCC(=O)[C@@H]1C[C@@H]2CC1C(=O)O2 1458a_200045396503_100000751147 [0,1,0,1,0,0|1,0,1]=4 7073 B15R2.3442 CSCCC(=O)[C@@H]1C[C@@H]2C[C@H]1C(=O)O2 1458a_200121570381_100000751147 [0,1,0,1,0,0|1,0,1]=4 7074 B15R2.3442 O=C(CCCF)[C@@H]1C[C@@H]2C[C@H]1C(=O)O2 1458a_200121570381_100011934791 [0,1,0,1,0,0|1,0,1]=4 7075 B15R2.3442 O=C(CCCO)[C@@H]1C[C@@H]2C[C@H]1C(=O)O2 1458a_200121570381_100011215043 [0,1,0,1,0,0|1,0,1]=4 7076 B15R2.3442 O=C1O[C@H]2CC1[C@@H](C2)C(=O)CCCF 1458a_200045396503_100011934791 [0,1,0,1,0,0|1,0,1]=4 7077 B15R2.3442 O=C1O[C@H]2CC1[C@@H](C2)C(=O)CCCO 1458a_200045396503_100011215043 [0,1,0,1,0,0|1,0,1]=4 7078 B15R2.6945 CC1CCC(N1CC2CNC(=O)O2)C 2230a_100000687148_100000181169 [0,1,0,1,0,0|2,0,0]=4 7079 B15R2.6945 CC1CCC(N1CC2CNC(=O)O2)C 269982a_100000687148_100000181169 [0,1,0,1,0,0|2,0,0]=4 7080 B15R2.6945 CC1CCC(N1CC2CNC(=O)O2)C 34a_100000687148_100000181169 [0,1,0,1,0,0|2,0,0]=4 7081 B15R2.6945 CC1CCC(N1CC2COC(=O)O2)C 269982a_100000687148_100000073702 [0,1,0,1,0,0|2,0,0]=4 7082 B15R2.6945 CC1CCC(N1CC2COC(=O)O2)C 34a_100000687148_100000073702 [0,1,0,1,0,0|2,0,0]=4 7083 B15R2.6945 CC1CCC(N1C[C@@H]2CCC(=O)N2)C 2230a_100000687148_100015189358 [0,1,0,1,0,0|2,0,0]=4 7084 B15R2.6945 CC1CCC(N1C[C@@H]2CCC(=O)N2)C 269982a_100000687148_100015189358 [0,1,0,1,0,0|2,0,0]=4 7085 B15R2.6948 CC(CC1CC1)NC[C@H]2CCC(=O)N2 270004a_100015423886_200000686933 [0,1,0,1,0,0|2,0,0]=4 7086 B15R2.41319 CC1(CCCC1)OCC2CNC(=O)O2 34a_100000751722_100000181169 [0,1,0,1,0,0|2,0,0]=4 7087 B15R2.41319 CC1(CCCC1)OCC2CNC(=O)O2 7a_100000751722_100000181169 [0,1,0,1,0,0|2,0,0]=4 7088 B15R2.41319 CC1(CCCC1)OCC2COC(=O)O2 34a_100000751722_100000073702 [0,1,0,1,0,0|2,0,0]=4 7089 B15R2.41319 CC1(CCCC1)OC[C@@H]2CCC(=O)N2 7a_100000751722_100015189358 [0,1,0,1,0,0|2,0,0]=4 7090 B15R2.41319 NC1(CCCC1)COC2COC(=O)O2 34a_100000749328_100000032252 [0,1,0,1,0,0|2,0,0]=4 7091 B15R2.41332 CC(NCC1CNC(=O)O1)C2CCC2 2230a_100016994624_100000181169 [0,1,0,1,0,0|2,0,0]=4 7092 B15R2.41332 CC(NCC1CNC(=O)O1)C2CCC2 34a_100016994624_100000181169 [0,1,0,1,0,0|2,0,0]=4 7093 B15R2.41332 CC(NCC1COC(=O)O1)C2CCC2 34a_100016994624_100000073702 [0,1,0,1,0,0|2,0,0]=4 7094 B15R2.41332 CC(NC[C@@H]1CCC(=O)N1)C2CCC2 2230a_100016994624_100015189358 [0,1,0,1,0,0|2,0,0]=4 7095 B15R2.41332 CC(NC[C@H]1CCC(=O)N1)C2CCC2 269862a_100015423886_100000760154 [0,1,0,1,0,0|2,0,0]=4 7096 B15R2.41332 CC(OCC1CNC(=O)O1)C2CCC2 34a_100000766398_100000181169 [0,1,0,1,0,0|2,0,0]=4 7097 B15R2.41332 CC(OCC1CNC(=O)O1)C2CCC2 7a_100000766398_100000181169 [0,1,0,1,0,0|2,0,0]=4 7098 B15R2.41332 CC(OCC1COC(=O)O1)C2CCC2 34a_100000766398_100000073702 [0,1,0,1,0,0|2,0,0]=4 7099 B15R2.41332 CC(OC[C@@H]1CCC(=O)N1)C2CCC2 7a_100000766398_100015189358 [0,1,0,1,0,0|2,0,0]=4 7100 B15R2.285 CC(NC1COC(=O)O1)C2CCCC2 34a_100015185923_100000032252 [0,1,0,1,0,0|2,0,0]=4 7101 B15R2.285 CC(OC1COC(=O)O1)C2CCCC2 34a_100011216366_100000032252 [0,1,0,1,0,0|2,0,0]=4 7102 B15R2.285 CN(CC1CNC(=O)O1)C2CCCC2 2230a_100000207505_100000181169 [0,1,0,1,0,0|2,0,0]=4 7103 B15R2.285 CN(CC1CNC(=O)O1)C2CCCC2 269982a_100000207505_100000181169 [0,1,0,1,0,0|2,0,0]=4 7104 B15R2.285 CN(CC1CNC(=O)O1)C2CCCC2 34a_100000207505_100000181169 [0,1,0,1,0,0|2,0,0]=4 7105 B15R2.285 CN(CC1COC(=O)O1)C2CCCC2 269982a_100000207505_100000073702 [0,1,0,1,0,0|2,0,0]=4 7106 B15R2.285 CN(CC1COC(=O)O1)C2CCCC2 34a_100000207505_100000073702 [0,1,0,1,0,0|2,0,0]=4 7107 B15R2.285 CN(C[C@@H]1CCC(=O)N1)C2CCCC2 2230a_100000207505_100015189358 [0,1,0,1,0,0|2,0,0]=4 7108 B15R2.285 CN(C[C@@H]1CCC(=O)N1)C2CCCC2 269982a_100000207505_100015189358 [0,1,0,1,0,0|2,0,0]=4 7109 B15R2.285 O=C1CCC(N1)CC(=O)C2CCCC2 1458a_100000026770_100000179811 [0,1,0,1,0,0|1,0,1]=4 7110 B15R2.285 O=C1CC[C@H](N1)CC(=O)C2CCCC2 1458a_100000210718_100015189358 [0,1,0,1,0,0|1,0,1]=4 7111 B15R2.285 O=C1NCC(O1)CC(=O)C2CCCC2 1458a_100000210718_100000181169 [0,1,0,1,0,0|1,0,1]=4 7112 B15R2.285 O=C1OCC(O1)CC(=O)C2CCCC2 1458a_100000210718_100000073702 [0,1,0,1,0,0|1,0,1]=4 7113 B15R2.1731 CCC1CC1C(=O)CC2CNC(=O)O2 1458a_200011661523_100000181169 [0,1,0,1,0,0|1,0,1]=4 7114 B15R2.1731 CCC1CC1C(=O)CC2COC(=O)O2 1458a_200011661523_100000073702 [0,1,0,1,0,0|1,0,1]=4 7115 B15R2.1731 CCC1CC1C(=O)C[C@@H]2CCC(=O)N2 1458a_200011661523_100015189358 [0,1,0,1,0,0|1,0,1]=4 7116 B15R2.6930 CC1(CCCCC1)NC2COC(=O)O2 34a_100000741114_100000032252 [0,1,0,1,0,0|2,0,0]=4 7117 B15R2.6930 CC1(CCCCC1)OC2COC(=O)O2 34a_100011215885_100000032252 [0,1,0,1,0,0|2,0,0]=4 7118 B15R2.6956 CC1CCCC(N1C2COC(=O)O2)C 34a_100000210447_100000032252 [0,1,0,1,0,0|2,0,0]=4 7119 B15R2.41272 O=C(CCC1CC1)CC2CCC(=O)N2 1458a_100000026770_100000694398 [0,1,0,1,0,0|1,0,1]=4 7120 B15R2.41272 O=C(CCC1CC1)CC2CNC(=O)O2 1458a_100000756386_100000181169 [0,1,0,1,0,0|1,0,1]=4 7121 B15R2.41272 O=C(CCC1CC1)CC2COC(=O)O2 1458a_100000756386_100000073702 [0,1,0,1,0,0|1,0,1]=4 7122 B15R2.41272 O=C(CCC1CC1)C[C@@H]2CCC(=O)N2 1458a_100000756386_100015189358 [0,1,0,1,0,0|1,0,1]=4 7123 B15R2.41366 CN(CC1CCC1)CC2CNC(=O)O2 2230a_200000750244_100000181169 [0,1,0,1,0,0|2,0,0]=4 7124 B15R2.41366 CN(CC1CCC1)CC2CNC(=O)O2 269982a_200000750244_100000181169 [0,1,0,1,0,0|2,0,0]=4 7125 B15R2.41366 CN(CC1CCC1)CC2CNC(=O)O2 34a_200000750244_100000181169 [0,1,0,1,0,0|2,0,0]=4 7126 B15R2.41366 CN(CC1CCC1)CC2COC(=O)O2 269982a_200000750244_100000073702 [0,1,0,1,0,0|2,0,0]=4 7127 B15R2.41366 CN(CC1CCC1)CC2COC(=O)O2 34a_200000750244_100000073702 [0,1,0,1,0,0|2,0,0]=4 7128 B15R2.41366 CN(CC1CCC1)C[C@@H]2CCC(=O)N2 2230a_200000750244_100015189358 [0,1,0,1,0,0|2,0,0]=4 7129 B15R2.41366 CN(CC1CCC1)C[C@@H]2CCC(=O)N2 269982a_200000750244_100015189358 [0,1,0,1,0,0|2,0,0]=4 7130 B15R2.41366 O=C(CC1CCC1)CC2CCC(=O)N2 1458a_100000026770_100000763275 [0,1,0,1,0,0|1,0,1]=4 7131 B15R2.41366 O=C(CC1CCC1)CC2CNC(=O)O2 1458a_100000763092_100000181169 [0,1,0,1,0,0|1,0,1]=4 7132 B15R2.41366 O=C(CC1CCC1)CC2COC(=O)O2 1458a_100000763092_100000073702 [0,1,0,1,0,0|1,0,1]=4 7133 B15R2.41366 O=C(CC1CCC1)C[C@@H]2CCC(=O)N2 1458a_100000763092_100015189358 [0,1,0,1,0,0|1,0,1]=4 7134 B15R2.549 CC1CCCN(CC1)C2COC(=O)O2 34a_100025706717_100000032252 [0,1,0,1,0,0|2,0,0]=4 7135 B15R2.6942 N[C@@H](COCC1CNC(=O)O1)C2CC2 34a_100020623730_100000181169 [0,1,0,1,0,0|2,0,0]=4 7136 B15R2.6942 N[C@@H](COCC1COC(=O)O1)C2CC2 34a_100020623730_100000073702 [0,1,0,1,0,0|2,0,0]=4 7137 B15R2.6942 O=C1CC[C@H](N1)CNCC(O)C2CC2 2230a_100000751198_100015189358 [0,1,0,1,0,0|2,0,0]=4 7138 B15R2.6942 O=C1NCC(O1)CNCC(O)C2CC2 2230a_100000751198_100000181169 [0,1,0,1,0,0|2,0,0]=4 7139 B15R2.6942 O=C1NCC(O1)CNCC(O)C2CC2 34a_100000751198_100000181169 [0,1,0,1,0,0|2,0,0]=4 7140 B15R2.6942 O=C1OCC(O1)CNCC(O)C2CC2 34a_100000751198_100000073702 [0,1,0,1,0,0|2,0,0]=4 7141 B15R2.41315 CC1(CCC1)CNCC2CNC(=O)O2 2230a_100000706607_100000181169 [0,1,0,1,0,0|2,0,0]=4 7142 B15R2.41315 CC1(CCC1)CNC[C@@H]2CCC(=O)N2 2230a_100000706607_100015189358 [0,1,0,1,0,0|2,0,0]=4 7143 B15R2.41315 CC1(CCC1)CNC[C@H]2CCC(=O)N2 2230a_100015423886_100000726658 [0,1,0,1,0,0|2,0,0]=4 7144 B15R2.41315 CC1(CCC1)CNC[C@H]2CCC(=O)N2 34a_100015423886_100000726658 [0,1,0,1,0,0|2,0,0]=4 7145 B15R2.41315 CC1(CCC1)COCC2CCC(=O)N2 34a_100000737831_100000726658 [0,1,0,1,0,0|2,0,0]=4 7146 B15R2.41315 CC1(CCC1)COCC2CNC(=O)O2 34a_100011315639_100000726658 [0,1,0,1,0,0|2,0,0]=4 7147 B15R2.41315 CC1(CCC1)CSCC2CNC(=O)O2 62a_100000181169_100000726658 [0,1,0,1,0,0|2,0,0]=4 7148 B15R2.41315 CC1(CCC1)CSCC2CNC(=O)O2 62a_100000726658_100000181169 [0,1,0,1,0,0|2,0,0]=4 7149 B15R2.41315 CC1(CCC1)CSCC2COC(=O)O2 62a_100000073702_100000726658 [0,1,0,1,0,0|2,0,0]=4 7150 B15R2.41315 CC1(CCC1)CSCC2COC(=O)O2 62a_100000726658_100000073702 [0,1,0,1,0,0|2,0,0]=4 7151 B15R2.41315 CC1(CCC1)CSC[C@@H]2CCC(=O)N2 62a_100000726658_100015189358 [0,1,0,1,0,0|2,0,0]=4 7152 B15R2.41315 CC1(CCC1)CSC[C@@H]2CCC(=O)N2 62a_100015189358_100000726658 [0,1,0,1,0,0|2,0,0]=4 7153 B15R2.41315 O=C1CC[C@H](N1)CNCC2(CCC2)O 2230a_100000752638_100015189358 [0,1,0,1,0,0|2,0,0]=4 7154 B15R2.41315 O=C1NCC(O1)CNCC2(CCC2)O 2230a_100000752638_100000181169 [0,1,0,1,0,0|2,0,0]=4 7155 B15R2.98 CC1CCC(CC1)OC2CCC(=O)C2 34a_100012614533_200011216234 [0,1,0,1,0,0|2,0,0]=4 7156 B15R2.98 CC1CCC(CC1)OC2COC(=O)O2 34a_100000210714_100000032252 [0,1,0,1,0,0|2,0,0]=4 7157 B15R2.98 CC1CCN(CC1)CC2CNC(=O)O2 2230a_100000188429_100000181169 [0,1,0,1,0,0|2,0,0]=4 7158 B15R2.98 CC1CCN(CC1)CC2CNC(=O)O2 269982a_100000188429_100000181169 [0,1,0,1,0,0|2,0,0]=4 7159 B15R2.98 CC1CCN(CC1)CC2CNC(=O)O2 34a_100000188429_100000181169 [0,1,0,1,0,0|2,0,0]=4 7160 B15R2.98 CC1CCN(CC1)CC2COC(=O)O2 269982a_100000188429_100000073702 [0,1,0,1,0,0|2,0,0]=4 7161 B15R2.98 CC1CCN(CC1)CC2COC(=O)O2 34a_100000188429_100000073702 [0,1,0,1,0,0|2,0,0]=4 7162 B15R2.98 CC1CCN(CC1)C[C@@H]2CCC(=O)N2 2230a_100000188429_100015189358 [0,1,0,1,0,0|2,0,0]=4 7163 B15R2.98 CC1CCN(CC1)C[C@@H]2CCC(=O)N2 269982a_100000188429_100015189358 [0,1,0,1,0,0|2,0,0]=4 7164 B15R2.98 C[C@H]1CC[C@@H](CC1)NC2COC(=O)O2 34a_100020625639_100000032252 [0,1,0,1,0,0|2,0,0]=4 7165 B15R2.98 N[C@H]1CC[C@H](CC1)OC2COC(=O)O2 34a_100020628982_100000032252 [0,1,0,1,0,0|2,0,0]=4 7166 B15R2.98 O=C1CC[C@H](N1)CN2CCC(CC2)F 2230a_100015193889_100015189358 [0,1,0,1,0,0|2,0,0]=4 7167 B15R2.98 O=C1CC[C@H](N1)CN2CCC(CC2)F 269982a_100015193889_100015189358 [0,1,0,1,0,0|2,0,0]=4 7168 B15R2.98 O=C1CC[C@H](N1)CN2CCC(CC2)O 2230a_100025773856_100015189358 [0,1,0,1,0,0|2,0,0]=4 7169 B15R2.98 O=C1CC[C@H](N1)CN2CCC(CC2)O 269982a_100025773856_100015189358 [0,1,0,1,0,0|2,0,0]=4 7170 B15R2.98 O=C1NCC(O1)CN2CCC(CC2)F 2230a_100015193889_100000181169 [0,1,0,1,0,0|2,0,0]=4 7171 B15R2.98 O=C1NCC(O1)CN2CCC(CC2)F 269982a_100015193889_100000181169 [0,1,0,1,0,0|2,0,0]=4 7172 B15R2.98 O=C1NCC(O1)CN2CCC(CC2)F 34a_100015193889_100000181169 [0,1,0,1,0,0|2,0,0]=4 7173 B15R2.98 O=C1NCC(O1)CN2CCC(CC2)O 2230a_100025773856_100000181169 [0,1,0,1,0,0|2,0,0]=4 7174 B15R2.98 O=C1NCC(O1)CN2CCC(CC2)O 269982a_100025773856_100000181169 [0,1,0,1,0,0|2,0,0]=4 7175 B15R2.98 O=C1OCC(O1)CN2CCC(CC2)F 269982a_100015193889_100000073702 [0,1,0,1,0,0|2,0,0]=4 7176 B15R2.98 O=C1OCC(O1)CN2CCC(CC2)F 34a_100015193889_100000073702 [0,1,0,1,0,0|2,0,0]=4 7177 B15R2.98 O=C1OCC(O1)CN2CCC(CC2)O 269982a_100025773856_100000073702 [0,1,0,1,0,0|2,0,0]=4 7178 B15R3.1856 O=C1CC[C@H](N1)CN2CC3CC3C2 2230a_100000741873_100015189358 [0,0,0,2,0,0|2,0,0]=4 7179 B15R3.1856 O=C1CC[C@H](N1)CN2CC3CC3C2 269982a_100000741873_100015189358 [0,0,0,2,0,0|2,0,0]=4 7180 B15R3.1856 O=C1NCC(O1)CN2CC3CC3C2 2230a_100000741873_100000181169 [0,0,0,2,0,0|2,0,0]=4 7181 B15R3.1856 O=C1NCC(O1)CN2CC3CC3C2 269982a_100000741873_100000181169 [0,0,0,2,0,0|2,0,0]=4 7182 B15R3.1856 O=C1NCC(O1)CN2CC3CC3C2 34a_100000741873_100000181169 [0,0,0,2,0,0|2,0,0]=4 7183 B15R3.1856 O=C1OCC(O1)CN2CC3CC3C2 269982a_100000741873_100000073702 [0,0,0,2,0,0|2,0,0]=4 7184 B15R3.1856 O=C1OCC(O1)CN2CC3CC3C2 34a_100000741873_100000073702 [0,0,0,2,0,0|2,0,0]=4 7185 B15R3.6147 O=C1OCC(O1)N2C3CCC2CC3 34a_100000735658_100000032252 [0,0,0,2,0,0|2,0,0]=4 7186 B15R3.6181 O=C1OCC(O1)OC2CCC3C2C3 34a_200012295571_100000032252 [0,0,0,2,0,0|2,0,0]=4 7187 B15R3.1850 O=C1OCC(O1)N2CCCC23CC3 34a_100020620911_100000032252 [0,0,0,2,0,0|2,0,0]=4 7188 B15R3.6160 O=C1OCC(O1)N2CC3CCC2C3 34a_100000743476_100000032252 [0,0,0,2,0,0|2,0,0]=4 7189 B11R0.42 C=C(C)C(C)NCCCCCC 269862a_100000210581_100011216138 [0,0,1,0,1,0|2,0,0]=4 7190 B11R0.42 CC(=O)C(C)COCCCCF 34a_100000032740_100000729493 [0,0,1,0,1,0|2,0,0]=4 7191 B11R0.42 CC(=O)C(C)COCCCCF 7a_100000032740_100000729493 [0,0,1,0,1,0|2,0,0]=4 7192 B11R0.42 CC(=O)C(C)COCCCCO 34a_100000032740_100011216708 [0,0,1,0,1,0|2,0,0]=4 7193 B11R0.42 CC(=O)C(C)COCCCCO 7a_100000032740_100000210776 [0,0,1,0,1,0|2,0,0]=4 7194 B11R0.42 CC(=O)C(C)NCCCCCO 2230a_100000762737_100009814033 [0,0,1,0,1,0|2,0,0]=4 7195 B11R0.42 CC(=O)C(C)OCCCCCBr 7a_100000746331_100000179758 [0,0,1,0,1,0|2,0,0]=4 7196 B11R0.42 CC(=O)C(C)OCCCCCCl 7a_100000746330_100000179758 [0,0,1,0,1,0|2,0,0]=4 7197 B11R0.42 CC(=O)C(C)OCCCCCF 34a_100000212229_100000729378 [0,0,1,0,1,0|2,0,0]=4 7198 B11R0.42 CC(=O)C(C)OCCCCCI 7a_200012148887_100000179758 [0,0,1,0,1,0|2,0,0]=4 7199 B11R0.42 CC(=O)C(C)OCCCCCO 34a_100000212229_100000746330 [0,0,1,0,1,0|2,0,0]=4 7200 B11R0.42 CC(=O)C(C)SCCCCCF 62a_100000729378_100009814033 [0,0,1,0,1,0|2,0,0]=4 7201 B11R0.42 CC(=O)C(C)SCCCCCF 62a_100009814033_100000729378 [0,0,1,0,1,0|2,0,0]=4 7202 B11R0.42 CC(=O)C(C)SCCCCCO 62a_100000746330_100009814033 [0,0,1,0,1,0|2,0,0]=4 7203 B11R0.42 CC(=O)C(C)SCCCCCO 62a_100009814033_100000746330 [0,0,1,0,1,0|2,0,0]=4 7204 B11R0.42 CCCCCCCC(C)C(=O)C 1458a_100000070787_200011218727 [0,0,1,0,1,0|0,0,0]=2 7205 B11R0.42 CCCCCCCC(C)N(C)C 2230a_100102631434_200011218727 [0,0,1,0,1,0|2,0,0]=4 7206 B11R0.42 CCCCCCCC(C)N(C)C 269982a_100102631434_200011218727 [0,0,1,0,1,0|2,0,0]=4 7207 B11R0.42 CCCCCCCC(C)N(C)C 270004a_100102631434_100000210596 [0,0,1,0,1,0|2,0,0]=4 7208 B11R0.42 CCCCCCCN(C)C(=O)C 11a_100000228206_100015343762 [0,0,1,0,1,0|1,0,0]=3 7209 B11R0.42 CCCCCCCN(C)C(=O)C 1626a_100000228206_100015343762 [0,0,1,0,1,0|1,0,0]=3 7210 B11R0.42 CCCCCCCN(C)C(=O)C 240690a_100000228206_100015343762 [0,0,1,0,1,0|1,0,0]=3 7211 B11R0.42 CCCCCCCN(C)C(=O)C 527a_100000228206_100103153847 [0,0,1,0,1,0|1,0,0]=3 7212 B11R0.42 CCCCCCNC(C)C(=O)C 2230a_100000210581_100009814033 [0,0,1,0,1,0|1,0,0]=3 7213 B11R0.42 CCCCCCNC(C)C(=O)N 2230a_100000210581_100000702099 [0,0,1,0,1,0|2,0,0]=4 7214 B11R0.42 CCCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210757 [0,0,1,0,1,0|2,0,0]=4 7215 B11R0.42 CCCCCCN[C@H](C)C(=O)N 2230a_100000119354_100000210314 [0,0,1,0,1,0|2,0,0]=4 7216 B11R0.42 CCCCCCN[C@H](C)C(=O)N 34a_100000119354_100000210314 [0,0,1,0,1,0|2,0,0]=4 7217 B11R0.42 CCCCCCOC(C)C(=O)C 34a_100000212229_100000210314 [0,0,1,0,1,0|1,0,0]=3 7218 B11R0.42 CCCCCCOC(C)C(=O)C 7a_100000210259_100000179758 [0,0,1,0,1,0|1,0,0]=3 7219 B11R0.42 CCCCCCOC(C)C(=O)N 34a_100000210259_100000702099 [0,0,1,0,1,0|2,0,0]=4 7220 B11R0.42 CCCCCCOC(C)C(=O)N 7a_100000210259_100000702099 [0,0,1,0,1,0|2,0,0]=4 7221 B11R0.42 CCCCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210314 [0,0,1,0,1,0|2,0,0]=4 7222 B11R0.42 CCCCCCO[C@H](C)C(=O)N 34a_100000731257_100000210314 [0,0,1,0,1,0|2,0,0]=4 7223 B11R0.42 CCCCCCO[C@H](C)C(=O)N 7a_100000731257_100000210314 [0,0,1,0,1,0|2,0,0]=4 7224 B11R0.42 CCCCCCSC(C)C(=O)C 62a_100000210314_100009814033 [0,0,1,0,1,0|1,0,0]=3 7225 B11R0.42 CCCCCCSC(C)C(=O)C 62a_100009814033_100000210757 [0,0,1,0,1,0|1,0,0]=3 7226 B11R0.42 CCCCCCSC(C)C(=O)N 62a_100000210314_100000702099 [0,0,1,0,1,0|2,0,0]=4 7227 B11R0.42 CCCCCCSC(C)C(=O)N 62a_100000702099_100000210757 [0,0,1,0,1,0|2,0,0]=4 7228 B11R0.42 CCCCCNCC(C)C(=O)O 269956a_100000749485_100000210326 [0,0,1,0,1,0|2,0,0]=4 7229 B11R0.42 CCCCCOCC(C)C(=O)C 34a_100000032740_100000718602 [0,0,1,0,1,0|1,0,0]=3 7230 B11R0.42 CCCCCOCC(C)C(=O)C 7a_100000032740_100000210326 [0,0,1,0,1,0|1,0,0]=3 7231 B11R0.42 CCCCOCOC(C)C(=O)C 34a_100000212229_100011995733 [0,0,1,0,1,0|2,0,0]=4 7232 B11R0.42 CCCCOCSC(C)C(=O)C 62a_100009814033_100011995733 [0,0,1,0,1,0|2,0,0]=4 7233 B11R0.42 CCCCOCSC(C)C(=O)C 62a_100011995733_100009814033 [0,0,1,0,1,0|2,0,0]=4 7234 B11R0.42 CCCOCCNC(C)C(=O)C 2230a_100161115042_100009814033 [0,0,1,0,1,0|2,0,0]=4 7235 B11R0.42 CCCOCCOC(C)C(=O)C 34a_100000212229_100011215938 [0,0,1,0,1,0|2,0,0]=4 7236 B11R0.42 CCCOCCOC(C)C(=O)C 7a_100000752267_100000179758 [0,0,1,0,1,0|2,0,0]=4 7237 B11R0.42 CCCOCCSC(C)C(=O)C 62a_100009814033_100011215938 [0,0,1,0,1,0|2,0,0]=4 7238 B11R0.42 CCCOCCSC(C)C(=O)C 62a_100011215938_100009814033 [0,0,1,0,1,0|2,0,0]=4 7239 B11R0.42 CCCSCCNC(C)C(=O)C 2230a_100020603323_100009814033 [0,0,1,0,1,0|2,0,0]=4 7240 B11R0.42 CCCSCCOC(C)C(=O)C 7a_200000230433_100000179758 [0,0,1,0,1,0|2,0,0]=4 7241 B11R0.42 CCOCCCNC(C)C(=O)C 2230a_100000210961_100009814033 [0,0,1,0,1,0|2,0,0]=4 7242 B11R0.42 CCOCCCOC(C)C(=O)C 34a_100000212229_100012232248 [0,0,1,0,1,0|2,0,0]=4 7243 B11R0.42 CCOCCCOC(C)C(=O)C 7a_100000757476_100000179758 [0,0,1,0,1,0|2,0,0]=4 7244 B11R0.42 CCOCCCSC(C)C(=O)C 62a_100009814033_100012232248 [0,0,1,0,1,0|2,0,0]=4 7245 B11R0.42 CCOCCCSC(C)C(=O)C 62a_100012232248_100009814033 [0,0,1,0,1,0|2,0,0]=4 7246 B11R0.42 CCOCCOCC(C)C(=O)C 34a_100000032740_100000210147 [0,0,1,0,1,0|2,0,0]=4 7247 B11R0.42 CCOCCOCC(C)C(=O)C 7a_100000032740_100011215890 [0,0,1,0,1,0|2,0,0]=4 7248 B11R0.42 CCSCCCOC(C)C(=O)C 7a_100011216438_100000179758 [0,0,1,0,1,0|2,0,0]=4 7249 B11R0.42 CCSCCOCC(C)C(=O)C 34a_100000032740_100000757381 [0,0,1,0,1,0|2,0,0]=4 7250 B11R0.42 CCSCCOCC(C)C(=O)C 7a_100000032740_100000757381 [0,0,1,0,1,0|2,0,0]=4 7251 B11R0.42 COCCCCOC(C)C(=O)C 34a_100000212229_100000755781 [0,0,1,0,1,0|2,0,0]=4 7252 B11R0.42 COCCCCSC(C)C(=O)C 62a_100000730899_100009814033 [0,0,1,0,1,0|2,0,0]=4 7253 B11R0.42 COCCCCSC(C)C(=O)C 62a_100009814033_100000730899 [0,0,1,0,1,0|2,0,0]=4 7254 B11R0.42 COCCCOCC(C)C(=O)C 34a_100000032740_100000740836 [0,0,1,0,1,0|2,0,0]=4 7255 B11R0.42 COCCCOCC(C)C(=O)C 7a_100000032740_100000740836 [0,0,1,0,1,0|2,0,0]=4 7256 B11R0.42 CSCCCCOC(C)C(=O)C 7a_100011217163_100000179758 [0,0,1,0,1,0|2,0,0]=4 7257 B11R1.78 CCCCCSC1CC(=O)C1 62a_100009894365_100000210326 [1,0,0,0,1,0|2,0,0]=4 7258 B11R1.78 CCCCNCC1CC(=O)C1 2230a_100000102301_100009874392 [1,0,0,0,1,0|2,0,0]=4 7259 B11R1.78 CCCCNCC1CC(=O)C1 7a_106832991798_100009874392 [1,0,0,0,1,0|2,0,0]=4 7260 B11R1.78 CCCCOCC1CC(=O)C1 34a_100000101936_100000210210 [1,0,0,0,1,0|2,0,0]=4 7261 B11R1.78 CCCCOCC1CC(=O)C1 7a_100000210227_100009874392 [1,0,0,0,1,0|2,0,0]=4 7262 B11R1.78 CCCCSCC1CC(=O)C1 62a_100000210211_100009874392 [1,0,0,0,1,0|2,0,0]=4 7263 B11R1.78 CCCCSCC1CC(=O)C1 62a_100009874392_100000210210 [1,0,0,0,1,0|2,0,0]=4 7264 B11R1.190 CCCCCOC1CCC1=O 34a_100000210253_100009892977 [1,0,0,0,1,0|1,0,0]=3 7265 B11R1.190 CCCCCOC1CCC1=O 7a_100000210253_100009892977 [1,0,0,0,1,0|1,0,0]=3 7266 B11R1.190 CCCCCSC1CCC1=O 62a_100000210326_100009892977 [1,0,0,0,1,0|1,0,0]=3 7267 B11R1.190 CCCCCSC1CCC1=O 62a_100009892977_100000210326 [1,0,0,0,1,0|1,0,0]=3 7268 B11R1.190 CCCSCCC1CCC1=O 62a_100000210303_200016118888 [1,0,0,0,1,0|1,0,0]=3 7269 B11R1.190 CCCSCCC1CCC1=O 62a_200016118888_100000210303 [1,0,0,0,1,0|1,0,0]=3 7270 B11R1.190 CCOCCNC1CCC1=O 34a_102516460346_100009892977 [1,0,0,0,1,0|2,0,0]=4 7271 B11R1.190 CCOCCOC1CCC1=O 34a_100000210136_100009892977 [1,0,0,0,1,0|2,0,0]=4 7272 B11R1.190 CCOCCOC1CCC1=O 7a_100000210136_100009892977 [1,0,0,0,1,0|2,0,0]=4 7273 B11R1.190 CCOCCSC1CCC1=O 62a_100000210147_100009892977 [1,0,0,0,1,0|2,0,0]=4 7274 B11R1.190 CCOCCSC1CCC1=O 62a_100009892977_100011215890 [1,0,0,0,1,0|2,0,0]=4 7275 B11R1.190 CCSCCOC1CCC1=O 34a_100000212035_100009892977 [1,0,0,0,1,0|2,0,0]=4 7276 B11R1.190 CCSCCOC1CCC1=O 7a_100000212035_100009892977 [1,0,0,0,1,0|2,0,0]=4 7277 B11R1.190 CCSCCSC1CCC1=O 62a_100000757381_100009892977 [1,0,0,0,1,0|2,0,0]=4 7278 B11R1.190 CCSCCSC1CCC1=O 62a_100009892977_100000757381 [1,0,0,0,1,0|2,0,0]=4 7279 B11R1.190 CNCCCOC1CCC1=O 34a_100000213112_100009892977 [1,0,0,0,1,0|2,0,0]=4 7280 B11R1.190 COCCCNC1CCC1=O 34a_100150723488_100009892977 [1,0,0,0,1,0|2,0,0]=4 7281 B11R1.190 COCCCOC1CCC1=O 34a_100000740835_100009892977 [1,0,0,0,1,0|2,0,0]=4 7282 B11R1.190 COCCCSC1CCC1=O 62a_100000709357_100009892977 [1,0,0,0,1,0|2,0,0]=4 7283 B11R1.190 COCCCSC1CCC1=O 62a_100009892977_100000709357 [1,0,0,0,1,0|2,0,0]=4 7284 B11R1.190 COCSCCC1CCC1=O 62a_100000766300_200016118888 [1,0,0,0,1,0|2,0,0]=4 7285 B11R1.190 COCSCCC1CCC1=O 62a_200016118888_100000766300 [1,0,0,0,1,0|2,0,0]=4 7286 B11R1.190 CSCCCOC1CCC1=O 34a_100000690336_100009892977 [1,0,0,0,1,0|2,0,0]=4 7287 B11R1.190 CSCCCOC1CCC1=O 7a_100000690336_100009892977 [1,0,0,0,1,0|2,0,0]=4 7288 B11R1.190 CSCSCCC1CCC1=O 62a_100011218213_200016118888 [1,0,0,0,1,0|2,0,0]=4 7289 B11R1.190 CSCSCCC1CCC1=O 62a_200016118888_100011218213 [1,0,0,0,1,0|2,0,0]=4 7290 B11R1.190 NCCCCOC1CCC1=O 34a_100000750430_100009892977 [1,0,0,0,1,0|2,0,0]=4 7291 B11R1.190 O=C1CCC1CCNCCO 2230a_100016997473_200016118888 [1,0,0,0,1,0|2,0,0]=4 7292 B11R1.190 O=C1CCC1CCSCCF 62a_100011217306_200016118888 [1,0,0,0,1,0|2,0,0]=4 7293 B11R1.190 O=C1CCC1CCSCCF 62a_200016118888_100011217306 [1,0,0,0,1,0|2,0,0]=4 7294 B11R1.190 O=C1CCC1CCSCCO 62a_100000211926_200016118888 [1,0,0,0,1,0|2,0,0]=4 7295 B11R1.190 O=C1CCC1CCSCCO 62a_200016118888_100000211926 [1,0,0,0,1,0|2,0,0]=4 7296 B11R1.190 O=C1CCC1NCCCCO 34a_100000750430_100009892977 [1,0,0,0,1,0|2,0,0]=4 7297 B11R1.190 O=C1CCC1OCCCCBr 34a_100011216708_100009892977 [1,0,0,0,1,0|2,0,0]=4 7298 B11R1.190 O=C1CCC1OCCCCCl 34a_100000210776_100009892977 [1,0,0,0,1,0|2,0,0]=4 7299 B11R1.190 O=C1CCC1OCCCCCl 7a_100000210776_100009892977 [1,0,0,0,1,0|2,0,0]=4 7300 B11R1.190 O=C1CCC1OCCCCF 34a_100011995726_100009892977 [1,0,0,0,1,0|2,0,0]=4 7301 B11R1.190 O=C1CCC1OCCCCF 7a_100011995726_100009892977 [1,0,0,0,1,0|2,0,0]=4 7302 B11R1.190 O=C1CCC1OCCCCI 34a_200012148704_100009892977 [1,0,0,0,1,0|2,0,0]=4 7303 B11R1.190 O=C1CCC1SCCCCF 62a_100000729493_100009892977 [1,0,0,0,1,0|2,0,0]=4 7304 B11R1.190 O=C1CCC1SCCCCF 62a_100009892977_100000729493 [1,0,0,0,1,0|2,0,0]=4 7305 B11R1.190 O=C1CCC1SCCCCO 62a_100000210776_100009892977 [1,0,0,0,1,0|2,0,0]=4 7306 B11R1.190 O=C1CCC1SCCCCO 62a_100009892977_100000210776 [1,0,0,0,1,0|2,0,0]=4 7307 B11R1.47 BrCCCCOCC1CCO1 34a_100011216708_100000103362 [1,0,0,0,1,0|2,0,0]=4 7308 B11R1.47 CCCCCCCN1CCC1 269982a_100000754969_100000210681 [1,0,0,0,1,0|1,0,1]=4 7309 B11R1.47 CCCCCCNC1CCC1 2230a_100000749019_100000210314 [1,0,0,0,1,0|1,0,1]=4 7310 B11R1.47 CCCCCCNC1CCC1 270004a_100000210581_100000241760 [1,0,0,0,1,0|1,0,1]=4 7311 B11R1.47 CCCCCCNC1CCC1 34a_100000749019_100000210314 [1,0,0,0,1,0|1,0,1]=4 7312 B11R1.47 CCCCCCOC1CCC1 34a_100000210259_100000749161 [1,0,0,0,1,0|1,0,1]=4 7313 B11R1.47 CCCCCCOC1CCC1 34a_100000748187_100000210314 [1,0,0,0,1,0|1,0,1]=4 7314 B11R1.47 CCCCCCSC1CCC1 62a_100000210314_100000749161 [1,0,0,0,1,0|1,0,1]=4 7315 B11R1.47 CCCCCNCC1CCC1 2230a_100000209983_100000763275 [1,0,0,0,1,0|1,0,1]=4 7316 B11R1.47 CCCCCNCC1CCC1 2230a_100000738700_100000210326 [1,0,0,0,1,0|1,0,1]=4 7317 B11R1.47 CCCCCNCC1CCC1 269862a_100000209983_100000753134 [1,0,0,0,1,0|1,0,1]=4 7318 B11R1.47 CCCCCNCC1CCC1 34a_100000738700_100000718602 [1,0,0,0,1,0|1,0,1]=4 7319 B11R1.47 CCCCCNCC1CCO1 2230a_100000209983_100000103362 [1,0,0,0,1,0|1,0,0]=3 7320 B11R1.47 CCCCCNC[C@@H]1CCO1 2230a_100020831831_100000210326 [1,0,0,0,1,0|1,0,0]=3 7321 B11R1.47 CCCCCNC[C@@H]1CCO1 34a_100020831831_100000718602 [1,0,0,0,1,0|1,0,0]=3 7322 B11R1.47 CCCCCOCC1CCC1 34a_100000210253_100000763275 [1,0,0,0,1,0|1,0,1]=4 7323 B11R1.47 CCCCCOCC1CCC1 34a_100000760304_100000718602 [1,0,0,0,1,0|1,0,1]=4 7324 B11R1.47 CCCCCOCC1CCC1 7a_100000210253_100000763275 [1,0,0,0,1,0|1,0,1]=4 7325 B11R1.47 CCCCCOCC1CCO1 34a_100000039022_100000718602 [1,0,0,0,1,0|1,0,0]=3 7326 B11R1.47 CCCCCOCC1CCO1 34a_100000210253_100000103362 [1,0,0,0,1,0|1,0,0]=3 7327 B11R1.47 CCCCCOCC1CCO1 7a_100000210253_100000103362 [1,0,0,0,1,0|1,0,0]=3 7328 B11R1.47 CCCCCSCC1CCC1 62a_100000210326_100000763275 [1,0,0,0,1,0|1,0,1]=4 7329 B11R1.47 CCCCCSCC1CCC1 62a_100000763275_100000210326 [1,0,0,0,1,0|1,0,1]=4 7330 B11R1.47 CCCCCSCC1CCO1 62a_100000103362_100000210326 [1,0,0,0,1,0|1,0,0]=3 7331 B11R1.47 CCCCCSCC1CCO1 62a_100000210326_100000103362 [1,0,0,0,1,0|1,0,0]=3 7332 B11R1.47 CCOCCNCC1CCO1 2230a_102516460346_100000103362 [1,0,0,0,1,0|2,0,0]=4 7333 B11R1.47 CCOCCNCC1CCO1 34a_102516460346_100000103362 [1,0,0,0,1,0|2,0,0]=4 7334 B11R1.47 CCOCCNC[C@@H]1CCO1 2230a_100020831831_100011215890 [1,0,0,0,1,0|2,0,0]=4 7335 B11R1.47 CCOCCNC[C@@H]1CCO1 34a_100020831831_100000210147 [1,0,0,0,1,0|2,0,0]=4 7336 B11R1.47 CCOCCOCC1CCO1 34a_100000039022_100000210147 [1,0,0,0,1,0|2,0,0]=4 7337 B11R1.47 CCOCCOCC1CCO1 34a_100000210136_100000103362 [1,0,0,0,1,0|2,0,0]=4 7338 B11R1.47 CCOCCOCC1CCO1 7a_100000210136_100000103362 [1,0,0,0,1,0|2,0,0]=4 7339 B11R1.47 CCOCCSCC1CCO1 62a_100000103362_100011215890 [1,0,0,0,1,0|2,0,0]=4 7340 B11R1.47 CCOCCSCC1CCO1 62a_100000210147_100000103362 [1,0,0,0,1,0|2,0,0]=4 7341 B11R1.47 CCSCCNCC1CCO1 2230a_100000106463_100000103362 [1,0,0,0,1,0|2,0,0]=4 7342 B11R1.47 CCSCCNC[C@@H]1CCO1 2230a_100020831831_100000757381 [1,0,0,0,1,0|2,0,0]=4 7343 B11R1.47 CCSCCNC[C@@H]1CCO1 34a_100020831831_100000757381 [1,0,0,0,1,0|2,0,0]=4 7344 B11R1.47 CCSCCOCC1CCO1 34a_100000039022_100000757381 [1,0,0,0,1,0|2,0,0]=4 7345 B11R1.47 CCSCCOCC1CCO1 34a_100000212035_100000103362 [1,0,0,0,1,0|2,0,0]=4 7346 B11R1.47 CCSCCOCC1CCO1 7a_100000212035_100000103362 [1,0,0,0,1,0|2,0,0]=4 7347 B11R1.47 CCSCCSCC1CCO1 62a_100000103362_100000757381 [1,0,0,0,1,0|2,0,0]=4 7348 B11R1.47 CCSCCSCC1CCO1 62a_100000757381_100000103362 [1,0,0,0,1,0|2,0,0]=4 7349 B11R1.47 CNCCCOCC1CCO1 34a_100000213112_100000103362 [1,0,0,0,1,0|2,0,0]=4 7350 B11R1.47 COCCCNCC1CCO1 34a_100150723488_100000103362 [1,0,0,0,1,0|2,0,0]=4 7351 B11R1.47 COCCCNC[C@@H]1CCO1 2230a_100020831831_100000740836 [1,0,0,0,1,0|2,0,0]=4 7352 B11R1.47 COCCCNC[C@@H]1CCO1 34a_100020831831_100000740836 [1,0,0,0,1,0|2,0,0]=4 7353 B11R1.47 COCCCOCC1CCO1 34a_100000039022_100000740836 [1,0,0,0,1,0|2,0,0]=4 7354 B11R1.47 COCCCOCC1CCO1 34a_100000740835_100000103362 [1,0,0,0,1,0|2,0,0]=4 7355 B11R1.47 COCCCSCC1CCO1 62a_100000103362_100000709357 [1,0,0,0,1,0|2,0,0]=4 7356 B11R1.47 COCCCSCC1CCO1 62a_100000709357_100000103362 [1,0,0,0,1,0|2,0,0]=4 7357 B11R1.47 CSCCCNCC1CCO1 2230a_100000749238_100000103362 [1,0,0,0,1,0|2,0,0]=4 7358 B11R1.47 CSCCCOCC1CCO1 34a_100000690336_100000103362 [1,0,0,0,1,0|2,0,0]=4 7359 B11R1.47 CSCCCOCC1CCO1 7a_100000690336_100000103362 [1,0,0,0,1,0|2,0,0]=4 7360 B11R1.47 ClCCCCOCC1CCO1 34a_100000210776_100000103362 [1,0,0,0,1,0|2,0,0]=4 7361 B11R1.47 ClCCCCOCC1CCO1 7a_100000210776_100000103362 [1,0,0,0,1,0|2,0,0]=4 7362 B11R1.47 FCCCCNC[C@@H]1CCO1 2230a_100020831831_100000729493 [1,0,0,0,1,0|2,0,0]=4 7363 B11R1.47 FCCCCNC[C@@H]1CCO1 34a_100020831831_100000729493 [1,0,0,0,1,0|2,0,0]=4 7364 B11R1.47 FCCCCOCC1CCO1 34a_100000039022_100000729493 [1,0,0,0,1,0|2,0,0]=4 7365 B11R1.47 FCCCCOCC1CCO1 34a_100011995726_100000103362 [1,0,0,0,1,0|2,0,0]=4 7366 B11R1.47 FCCCCOCC1CCO1 7a_100011995726_100000103362 [1,0,0,0,1,0|2,0,0]=4 7367 B11R1.47 FCCCCSCC1CCO1 62a_100000103362_100000729493 [1,0,0,0,1,0|2,0,0]=4 7368 B11R1.47 FCCCCSCC1CCO1 62a_100000729493_100000103362 [1,0,0,0,1,0|2,0,0]=4 7369 B11R1.47 ICCCCOCC1CCO1 34a_200012148704_100000103362 [1,0,0,0,1,0|2,0,0]=4 7370 B11R1.47 NCCCCOCC1CCO1 34a_100000750430_100000103362 [1,0,0,0,1,0|2,0,0]=4 7371 B11R1.47 OCCCCNCC1CCO1 2230a_100000750430_100000103362 [1,0,0,0,1,0|2,0,0]=4 7372 B11R1.47 OCCCCNCC1CCO1 34a_100000750430_100000103362 [1,0,0,0,1,0|2,0,0]=4 7373 B11R1.47 OCCCCNC[C@@H]1CCO1 2230a_100020831831_100000210776 [1,0,0,0,1,0|2,0,0]=4 7374 B11R1.47 OCCCCNC[C@@H]1CCO1 34a_100020831831_100011216708 [1,0,0,0,1,0|2,0,0]=4 7375 B11R1.47 OCCCCOCC1CCO1 34a_100000039022_100011216708 [1,0,0,0,1,0|2,0,0]=4 7376 B11R1.47 OCCCCSCC1CCO1 62a_100000103362_100000210776 [1,0,0,0,1,0|2,0,0]=4 7377 B11R1.47 OCCCCSCC1CCO1 62a_100000210776_100000103362 [1,0,0,0,1,0|2,0,0]=4 7378 B15R1.1950 CCCCCCCN1CCNC(=O)CC1 2230a_100000698595_100000210681 [0,0,0,0,0,2|2,0,0]=4 7379 B15R1.1950 CCCCCCCN1CCNC(=O)CC1 269982a_100000698595_100000210681 [0,0,0,0,0,2|2,0,0]=4 7380 B15R1.1949 CCCCCCCN1CCCNC(=O)C1 2230a_100015190381_100000210681 [0,0,0,0,0,2|2,0,0]=4