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[0,0,0,0,0,0|3,0,0]=3 116 B18R0.7795 O=C(CCCCCCCCCCO)NC[C@H](O)CO 240690a_100020644852_200000016029 [0,0,0,0,0,0|2,0,0]=2 117 B18R0.7795 O=C(COCCCCCCCCBr)NCC(O)CO 34a_100009813846_200012027429 [0,0,0,0,0,0|3,0,0]=3 118 B18R0.7795 O=C(COCCCCCCCCBr)NCC(O)CO 7a_100009813846_200012027429 [0,0,0,0,0,0|3,0,0]=3 119 B18R0.7795 O=C(COCCCCCCCCCl)NCC(O)CO 34a_100000033203_200012027429 [0,0,0,0,0,0|3,0,0]=3 120 B18R0.7795 O=C(COCCCCCCCCCl)NCC(O)CO 7a_100000033203_200012027429 [0,0,0,0,0,0|3,0,0]=3 121 B18R0.7795 O=C(CSCCCCCCCCO)NCC(O)CO 62a_100000033203_200012027429 [0,0,0,0,0,0|3,0,0]=3 122 B18R0.7795 O=C(CSCCCCCCCCO)NCC(O)CO 62a_200012027429_100000033203 [0,0,0,0,0,0|3,0,0]=3 123 B18R0.7795 O=C(NCCCCCCCCCO)NC[C@@H](F)CO 2708a_100000078944_100015665980 [0,0,0,0,0,0|4,0,0]=4 124 B18R0.7795 O=C(NCCCCCCCCCO)NC[C@@H](F)CO 273464a_100000078944_100015665980 [0,0,0,0,0,0|4,0,0]=4 125 B18R0.7795 O=C(NCCCCCCCCCO)NC[C@@H](F)CO 273464a_100015665980_100000078944 [0,0,0,0,0,0|4,0,0]=4 126 B18R0.7795 O=C(NCCCCCCCCCO)NC[C@@H](F)CO 512a_100000078944_100015665980 [0,0,0,0,0,0|4,0,0]=4 127 B18R0.7795 O=C(NCCCCCCCCCO)NC[C@@H](F)CO 512a_100015665980_100000078944 [0,0,0,0,0,0|4,0,0]=4 128 B17R0.192 C=C(C)CNC(=O)CCCCCCCCCCC 11a_100000765925_100000210736 [1,0,0,0,0,0|2,0,1]=4 129 B17R0.192 C=C(C)CNC(=O)CCCCCCCCCCC 1626a_100000765925_100000210736 [1,0,0,0,0,0|2,0,1]=4 130 B17R0.192 C=C(C)CNC(=O)CCCCCCCCCCC 240690a_100000765925_100000210736 [1,0,0,0,0,0|2,0,1]=4 131 B17R0.192 CC(C)CCC(=O)CCCCCCCCCCO 1458a_100000181311_100009813290 [1,0,0,0,0,0|3,0,0]=4 132 B17R0.192 CC(C)CNC(=O)CCCCCCCCCCO 240690a_100000210953_200000016029 [1,0,0,0,0,0|3,0,0]=4 133 B17R0.192 CC(O)CNC(=O)CCCCCCCCCCO 240690a_100000210904_200000016029 [1,0,0,0,0,0|2,0,0]=3 134 B17R0.192 CC(O)CNC(=O)NCCCCCCCCCO 2708a_100000078944_100000210904 [1,0,0,0,0,0|3,0,0]=4 135 B17R0.192 CC(O)CNC(=O)NCCCCCCCCCO 273464a_100000078944_100000210904 [1,0,0,0,0,0|3,0,0]=4 136 B17R0.192 CC(O)CNC(=O)NCCCCCCCCCO 273464a_100000210904_100000078944 [1,0,0,0,0,0|3,0,0]=4 137 B17R0.192 CC(O)CNC(=O)NCCCCCCCCCO 512a_100000078944_100000210904 [1,0,0,0,0,0|3,0,0]=4 138 B17R0.192 CC(O)CNC(=O)NCCCCCCCCCO 512a_100000210904_100000078944 [1,0,0,0,0,0|3,0,0]=4 139 B17R0.192 CCCCCCCCCC=CC(=O)CCC(C)O 1458a_200015352897_100012276601 [1,0,0,0,0,0|1,0,2]=4 140 B17R0.192 CCCCCCCCCC=CC(=O)NCC(C)O 11a_100000210904_200015352897 [1,0,0,0,0,0|1,0,2]=4 141 B17R0.192 CCCCCCCCCC=CC(=O)NCC(C)O 240690a_100000210904_200015352897 [1,0,0,0,0,0|1,0,2]=4 142 B17R0.192 CCCCCCCCCCCC(=O)CCC(C)O 1458a_100000210736_100012276601 [1,0,0,0,0,0|1,0,0]=2 143 B17R0.192 CCCCCCCCCCCC(=O)CC[S+](C)C 1458a_100009452791_100011215454 [1,0,0,0,0,0|3,0,0]=4 144 B17R0.192 CCCCCCCCCCCC(=O)COC(C)C 1458a_100000745533_100011215454 [1,0,0,0,0,0|3,0,0]=4 145 B17R0.192 CCCCCCCCCCCC(=O)NCC(=O)C 1458a_100001278556_200000210301 [1,0,0,0,0,0|1,0,2]=4 146 B17R0.192 CCCCCCCCCCCC(=O)NCC(=O)[13CH3] 1458a_100001278556_200025704644 [1,0,0,0,0,0|1,0,2]=4 147 B17R0.192 CCCCCCCCCCCC(=O)NCC(C)C 11a_100000210953_100000210736 [1,0,0,0,0,0|2,0,0]=3 148 B17R0.192 CCCCCCCCCCCC(=O)NCC(C)C 1626a_100000210953_100000210736 [1,0,0,0,0,0|2,0,0]=3 149 B17R0.192 CCCCCCCCCCCC(=O)NCC(C)C 240690a_100000210953_100000210736 [1,0,0,0,0,0|2,0,0]=3 150 B17R0.192 CCCCCCCCCCCC(=O)NCC(C)O 11a_100000210904_100000210736 [1,0,0,0,0,0|1,0,0]=2 151 B17R0.192 CCCCCCCCCCCC(=O)NCC(C)O 240690a_100000210904_100000210736 [1,0,0,0,0,0|1,0,0]=2 152 B17R0.192 CCCCCCCCCCCC(=O)NCC(F)F 11a_100000765723_100000210736 [1,0,0,0,0,0|3,0,0]=4 153 B17R0.192 CCCCCCCCCCCC(=O)NCC(F)F 1626a_100000765723_100000210736 [1,0,0,0,0,0|3,0,0]=4 154 B17R0.192 CCCCCCCCCCCC(=O)NCC(F)F 240690a_100000765723_100000210736 [1,0,0,0,0,0|3,0,0]=4 155 B17R0.192 CCCCCCCCCCCC(=O)NNC(C)C 22a_100000741168_100000210736 [1,0,0,0,0,0|3,0,0]=4 156 B17R0.192 CCCCCCCCCCCC(=O)OCC(=O)C 1458a_100000070787_100020644155 [1,0,0,0,0,0|0,0,2]=3 157 B17R0.192 CCCCCCCCCCCC(=O)OCN(C)C 2230a_100102631434_100020644155 [1,0,0,0,0,0|2,0,0]=3 158 B17R0.192 CCCCCCCCCCCC(=O)OCN(C)C 269982a_100102631434_100020644155 [1,0,0,0,0,0|2,0,0]=3 159 B17R0.192 CCCCCCCCCCCC(C)NCC(C)O 270004a_100000210904_100011216755 [1,0,0,0,0,0|2,0,1]=4 160 B17R0.192 CCCCCCCCCCCC(C)OCC(C)O 34a_100011217895_100011218427 [1,0,0,0,0,0|1,0,1]=3 161 B17R0.192 CCCCCCCCCCCC(C)OCC(C)O 7a_100011217895_100011218427 [1,0,0,0,0,0|1,0,1]=3 162 B17R0.192 CCCCCCCCCCCC(C)OC[C@@H](C)O 34a_100011217895_100009817552 [1,0,0,0,0,0|1,0,1]=3 163 B17R0.192 CCCCCCCCCCCC(C)OC[C@@H](C)O 7a_100011217895_100009817552 [1,0,0,0,0,0|1,0,1]=3 164 B17R0.192 CCCCCCCCCCNC(=O)CCC(C)C 11a_100000684558_100000181311 [1,0,0,0,0,0|3,0,0]=4 165 B17R0.192 CCCCCCCCCCNC(=O)CCC(C)C 1626a_100000684558_100000181311 [1,0,0,0,0,0|3,0,0]=4 166 B17R0.192 CCCCCCCCCCNC(=O)CCC(C)C 240690a_100000684558_100000181311 [1,0,0,0,0,0|3,0,0]=4 167 B17R0.192 CCCCCCCCCCNC(=O)CCC(C)C 527a_100000684558_100000181311 [1,0,0,0,0,0|3,0,0]=4 168 B17R0.192 CCCCCCCCCCNC(=O)CCC(C)O 1626a_100000684558_100000718519 [1,0,0,0,0,0|2,0,0]=3 169 B17R0.192 CCCCCCCCCCNC(=O)NCC(C)C 2708a_100000210953_100000684558 [1,0,0,0,0,0|3,0,0]=4 170 B17R0.192 CCCCCCCCCCNC(=O)NCC(C)C 2708a_100000684558_100000210953 [1,0,0,0,0,0|3,0,0]=4 171 B17R0.192 CCCCCCCCCCNC(=O)NCC(C)C 273464a_100000210953_100000684558 [1,0,0,0,0,0|3,0,0]=4 172 B17R0.192 CCCCCCCCCCNC(=O)NCC(C)C 273464a_100000684558_100000210953 [1,0,0,0,0,0|3,0,0]=4 173 B17R0.192 CCCCCCCCCCNC(=O)NCC(C)C 512a_100000210953_100000684558 [1,0,0,0,0,0|3,0,0]=4 174 B17R0.192 CCCCCCCCCCNC(=O)NCC(C)C 512a_100000684558_100000210953 [1,0,0,0,0,0|3,0,0]=4 175 B17R0.192 CCCCCCCCCCNC(=O)NCC(C)O 2708a_100000684558_100000210904 [1,0,0,0,0,0|2,0,0]=3 176 B17R0.192 CCCCCCCCCCNC(=O)NCC(C)O 273464a_100000210904_100000684558 [1,0,0,0,0,0|2,0,0]=3 177 B17R0.192 CCCCCCCCCCNC(=O)NCC(C)O 273464a_100000684558_100000210904 [1,0,0,0,0,0|2,0,0]=3 178 B17R0.192 CCCCCCCCCCNC(=O)NCC(C)O 512a_100000210904_100000684558 [1,0,0,0,0,0|2,0,0]=3 179 B17R0.192 CCCCCCCCCCNC(=O)NCC(C)O 512a_100000684558_100000210904 [1,0,0,0,0,0|2,0,0]=3 180 B17R0.192 CCCCCCCCCNCC(=O)NCC(C)C 2230a_100000212291_100000183291 [1,0,0,0,0,0|3,0,0]=4 181 B17R0.192 CCCCCCCCCNCC(=O)NCC(C)C 34a_100000212291_100000183291 [1,0,0,0,0,0|3,0,0]=4 182 B17R0.192 CCCCCCCCCOCC(=O)NCC(C)C 34a_100000210712_100000183291 [1,0,0,0,0,0|3,0,0]=4 183 B17R0.192 CCCCCCCCCOCC(=O)NCC(C)C 7a_100000210712_100000183291 [1,0,0,0,0,0|3,0,0]=4 184 B17R0.192 CCCCCCCCCSCC(=O)NCC(C)C 62a_100000183291_100000210670 [1,0,0,0,0,0|3,0,0]=4 185 B17R0.192 CCCCCCCNCCCC(=O)NCC(C)C 2230a_100000229938_100011194448 [1,0,0,0,0,0|3,0,0]=4 186 B17R0.192 CCCCCCCOCCCC(=O)NCC(C)C 34a_100000210272_100011194448 [1,0,0,0,0,0|3,0,0]=4 187 B17R0.192 CCCCCCCOCCCC(=O)NCC(C)C 7a_100000210272_100011194448 [1,0,0,0,0,0|3,0,0]=4 188 B17R0.192 CCCCCCCSCCCC(=O)NCC(C)C 62a_100000210614_100011194448 [1,0,0,0,0,0|3,0,0]=4 189 B17R0.192 CCCCCCCSCCCC(=O)NCC(C)C 62a_100011194448_100000210316 [1,0,0,0,0,0|3,0,0]=4 190 B17R0.195 C#CCCCCCCCCCCOCC(O)CO 34a_100000054667_100011219619 [1,0,0,0,0,0|0,0,3]=4 191 B17R0.195 C#CCCCCCCCCCCOCC(O)CO 7a_100000054667_100011219619 [1,0,0,0,0,0|0,0,3]=4 192 B17R0.195 C#CCCCCCCCCCCOC[C@@H](O)CO 34a_100000054667_100009815848 [1,0,0,0,0,0|0,0,3]=4 193 B17R0.195 C#CCCCCCCCCCCOC[C@@H](O)CO 7a_100000054667_100009815848 [1,0,0,0,0,0|0,0,3]=4 194 B17R0.195 C=CC(O)COCCCCCCCCCCCC 34a_100000210810_100000730141 [1,0,0,0,0,0|1,0,2]=4 195 B17R0.195 C=CC(O)COCCCCCCCCCCCC 7a_100000210810_100000730141 [1,0,0,0,0,0|1,0,2]=4 196 B17R0.195 CCC#CCCCCCCCCOCC(O)CO 34a_200000031908_100011219619 [1,0,0,0,0,0|0,0,3]=4 197 B17R0.195 CCC#CCCCCCCCCOCC(O)CO 7a_200000031908_100011219619 [1,0,0,0,0,0|0,0,3]=4 198 B17R0.195 CCC#CCCCCCCCCOC[C@@H](O)CO 34a_200000031908_100009815848 [1,0,0,0,0,0|0,0,3]=4 199 B17R0.195 CCC#CCCCCCCCCOC[C@@H](O)CO 7a_200000031908_100009815848 [1,0,0,0,0,0|0,0,3]=4 200 B17R0.195 CCC(O)COCCCCCCCCCCCBr 34a_100009812471_100011218378 [1,0,0,0,0,0|2,0,1]=4 201 B17R0.195 CCC(O)COCCCCCCCCCCCBr 7a_100009812471_100011218378 [1,0,0,0,0,0|2,0,1]=4 202 B17R0.195 CCCCCCCCC/C=C/COCC(O)CO 34a_100015232335_100011219619 [1,0,0,0,0,0|0,0,3]=4 203 B17R0.195 CCCCCCCCC/C=C/COCC(O)CO 7a_100015232335_100011219619 [1,0,0,0,0,0|0,0,3]=4 204 B17R0.195 CCCCCCCCC/C=C/COC[C@@H](O)CO 34a_100015232335_100009815848 [1,0,0,0,0,0|0,0,3]=4 205 B17R0.195 CCCCCCCCC/C=C/COC[C@@H](O)CO 7a_100015232335_100009815848 [1,0,0,0,0,0|0,0,3]=4 206 B17R0.195 CCCCCCCCCCCCNCC(C)CO 34a_100000744482_100000759014 [1,0,0,0,0,0|2,0,1]=4 207 B17R0.195 CCCCCCCCCCCCNCC(O)CC 2230a_100000210451_100011218378 [1,0,0,0,0,0|2,0,1]=4 208 B17R0.195 CCCCCCCCCCCCNCC(O)CC 2230a_100011218483_100011215052 [1,0,0,0,0,0|2,0,1]=4 209 B17R0.195 CCCCCCCCCCCCNCC(O)CC 270004a_100011218483_100011218549 [1,0,0,0,0,0|2,0,1]=4 210 B17R0.195 CCCCCCCCCCCCNCC(O)CC 34a_100000210451_100011218378 [1,0,0,0,0,0|2,0,1]=4 211 B17R0.195 CCCCCCCCCCCCNCC(O)CO 2230a_100000210451_100011219619 [1,0,0,0,0,0|1,0,1]=3 212 B17R0.195 CCCCCCCCCCCCNCC(O)CO 34a_100000210451_100011219619 [1,0,0,0,0,0|1,0,1]=3 213 B17R0.195 CCCCCCCCCCCCNC[C@@H](C)CO 2230a_100000210451_100000059175 [1,0,0,0,0,0|2,0,1]=4 214 B17R0.195 CCCCCCCCCCCCNC[C@@H](C)CO 34a_100000210451_100000059175 [1,0,0,0,0,0|2,0,1]=4 215 B17R0.195 CCCCCCCCCCCCNC[C@@H](F)CO 270004a_100015665980_100011218549 [1,0,0,0,0,0|2,0,1]=4 216 B17R0.195 CCCCCCCCCCCCNC[C@@H](F)CO 34a_100015665980_100000759014 [1,0,0,0,0,0|2,0,1]=4 217 B17R0.195 CCCCCCCCCCCCNC[C@@H](O)CF 2230a_100000210451_100015614560 [1,0,0,0,0,0|2,0,1]=4 218 B17R0.195 CCCCCCCCCCCCNC[C@@H](O)CF 34a_100000210451_100015614560 [1,0,0,0,0,0|2,0,1]=4 219 B17R0.195 CCCCCCCCCCCCNC[C@@H](O)CO 2230a_100000210451_100009815848 [1,0,0,0,0,0|1,0,1]=3 220 B17R0.195 CCCCCCCCCCCCNC[C@@H](O)CO 34a_100000210451_100009815848 [1,0,0,0,0,0|1,0,1]=3 221 B17R0.195 CCCCCCCCCCCCNC[C@H](O)CO 2230a_100020644852_100011215052 [1,0,0,0,0,0|1,0,1]=3 222 B17R0.195 CCCCCCCCCCCCOCC(C)CN 34a_100000744482_100000759014 [1,0,0,0,0,0|2,0,1]=4 223 B17R0.195 CCCCCCCCCCCCOCC(O)CC 34a_100000210810_100011218378 [1,0,0,0,0,0|1,0,1]=3 224 B17R0.195 CCCCCCCCCCCCOCC(O)CC 7a_100000210810_100011218378 [1,0,0,0,0,0|1,0,1]=3 225 B17R0.195 CCCCCCCCCCCCOCC(O)CO 34a_100000210810_100011219619 [1,0,0,0,0,0|0,0,1]=2 226 B17R0.195 CCCCCCCCCCCCOCC(O)CO 7a_100000210810_100011219619 [1,0,0,0,0,0|0,0,1]=2 227 B17R0.195 CCCCCCCCCCCCOC[C@@H](C)CO 34a_100000210810_100000059175 [1,0,0,0,0,0|1,0,1]=3 228 B17R0.195 CCCCCCCCCCCCOC[C@@H](C)CO 7a_100000210810_100000059175 [1,0,0,0,0,0|1,0,1]=3 229 B17R0.195 CCCCCCCCCCCCOC[C@@H](O)CF 34a_100000210810_100015614560 [1,0,0,0,0,0|1,0,1]=3 230 B17R0.195 CCCCCCCCCCCCOC[C@@H](O)CF 7a_100000210810_100015614560 [1,0,0,0,0,0|1,0,1]=3 231 B17R0.195 CCCCCCCCCCCCOC[C@@H](O)CO 34a_100000210810_100009815848 [1,0,0,0,0,0|0,0,1]=2 232 B17R0.195 CCCCCCCCCCCCOC[C@@H](O)CO 7a_100000210810_100009815848 [1,0,0,0,0,0|0,0,1]=2 233 B17R0.195 CCCCCCCCCCCCOC[C@H](F)CN 34a_100015665980_100000759014 [1,0,0,0,0,0|2,0,1]=4 234 B17R0.195 CCCCCCCCCCCCSCC(O)CO 62a_100011219619_100000759014 [1,0,0,0,0,0|0,1,1]=3 235 B17R0.195 CCCCCCCCCCCCSC[C@@H](O)CF 62a_100015614560_100000759014 [1,0,0,0,0,0|1,1,1]=4 236 B17R0.195 CCCCCCCCCCCCSC[C@@H](O)CO 62a_100009815848_100000759014 [1,0,0,0,0,0|0,1,1]=3 237 B17R0.195 CCCCCCCCCCCNCCC(C)CO 2230a_106354213184_100011215454 [1,0,0,0,0,0|3,0,0]=4 238 B17R0.195 CCCCCCCCCCCNCCC(C)CO 34a_106354213184_100011215454 [1,0,0,0,0,0|3,0,0]=4 239 B17R0.195 CCCCCCOCCOCCOCC(O)CO 34a_100000032842_100011219619 [1,0,0,0,0,0|2,0,1]=4 240 B17R0.195 CCCCCCOCCOCCOCC(O)CO 7a_100000032842_100011219619 [1,0,0,0,0,0|2,0,1]=4 241 B17R0.195 CCCCCCOCCOCCOC[C@@H](O)CO 34a_100000032842_100009815848 [1,0,0,0,0,0|2,0,1]=4 242 B17R0.195 CCCCCCOCCOCCOC[C@@H](O)CO 7a_100000032842_100009815848 [1,0,0,0,0,0|2,0,1]=4 243 B17R0.195 CCOCCCCCCCCCOCC(O)CC 34a_100009875440_100011218378 [1,0,0,0,0,0|2,0,1]=4 244 B17R0.195 CCOCCCCCCCCCOCC(O)CC 7a_100009875440_100011218378 [1,0,0,0,0,0|2,0,1]=4 245 B17R0.195 CCOCCCCCCCCCOCC(O)CO 34a_100009875440_100011219619 [1,0,0,0,0,0|1,0,1]=3 246 B17R0.195 CCOCCCCCCCCCOCC(O)CO 7a_100009875440_100011219619 [1,0,0,0,0,0|1,0,1]=3 247 B17R0.195 CCOCCCCCCCCCOC[C@@H](C)CO 34a_100009875440_100000059175 [1,0,0,0,0,0|2,0,1]=4 248 B17R0.195 CCOCCCCCCCCCOC[C@@H](C)CO 7a_100009875440_100000059175 [1,0,0,0,0,0|2,0,1]=4 249 B17R0.195 CCOCCCCCCCCCOC[C@@H](O)CF 34a_100009875440_100015614560 [1,0,0,0,0,0|2,0,1]=4 250 B17R0.195 CCOCCCCCCCCCOC[C@@H](O)CF 7a_100009875440_100015614560 [1,0,0,0,0,0|2,0,1]=4 251 B17R0.195 CCOCCCCCCCCCOC[C@@H](O)CO 34a_100009875440_100009815848 [1,0,0,0,0,0|1,0,1]=3 252 B17R0.195 CCOCCCCCCCCCOC[C@@H](O)CO 7a_100009875440_100009815848 [1,0,0,0,0,0|1,0,1]=3 253 B17R0.195 C[C@@H](CO)COCCCCCCCCCCCBr 34a_100009812471_100000059175 [1,0,0,0,0,0|2,0,1]=4 254 B17R0.195 C[C@@H](CO)COCCCCCCCCCCCBr 7a_100009812471_100000059175 [1,0,0,0,0,0|2,0,1]=4 255 B17R0.195 OCC(O)COCCCCCCCCCCCBr 34a_100009812471_100011219619 [1,0,0,0,0,0|1,0,1]=3 256 B17R0.195 OCC(O)COCCCCCCCCCCCBr 7a_100009812471_100011219619 [1,0,0,0,0,0|1,0,1]=3 257 B17R0.195 OCCCCCCCCCCCNC[C@H](O)CO 2230a_100020644852_100009812471 [1,0,0,0,0,0|2,0,1]=4 258 B17R0.195 OCCCCCCCCCCCSCC(O)CO 62a_100009812471_100011219619 [1,0,0,0,0,0|1,1,1]=4 259 B17R0.195 OCCCCCCCCCCCSC[C@@H](O)CO 62a_100009812471_100009815848 [1,0,0,0,0,0|1,1,1]=4 260 B17R0.195 OC[C@H](O)COCCCCCCCCCCCBr 34a_100009812471_100009815848 [1,0,0,0,0,0|1,0,1]=3 261 B17R0.195 OC[C@H](O)COCCCCCCCCCCCBr 7a_100009812471_100009815848 [1,0,0,0,0,0|1,0,1]=3 262 B17R0.195 O[C@@H](CF)COCCCCCCCCCCCBr 34a_100009812471_100015614560 [1,0,0,0,0,0|2,0,1]=4 263 B17R0.195 O[C@@H](CF)COCCCCCCCCCCCBr 7a_100009812471_100015614560 [1,0,0,0,0,0|2,0,1]=4 264 B17R0.3110 C#CCCNC(=O)CCCCCCCCCCC 11a_100000755551_100000210736 [1,0,0,0,0,0|2,0,1]=4 265 B17R0.3110 C#CCCNC(=O)CCCCCCCCCCC 1626a_100000755551_100000210736 [1,0,0,0,0,0|2,0,1]=4 266 B17R0.3110 C#CCCNC(=O)CCCCCCCCCCC 240690a_100000755551_100000210736 [1,0,0,0,0,0|2,0,1]=4 267 B17R0.3110 C=CCCCCCCCCCC(=O)CCCCO 1458a_100000695505_100009814027 [1,0,0,0,0,0|1,0,2]=4 268 B17R0.3110 C=CCCNC(=O)CCCCCCCCCCC 11a_100015191253_100000210736 [1,0,0,0,0,0|2,0,1]=4 269 B17R0.3110 C=CCCNC(=O)CCCCCCCCCCC 1626a_100015191253_100000210736 [1,0,0,0,0,0|2,0,1]=4 270 B17R0.3110 C=CCCNC(=O)CCCCCCCCCCC 240690a_100015191253_100000210736 [1,0,0,0,0,0|2,0,1]=4 271 B17R0.3110 CCCCCC(=O)CCCCCCCCCCO 1458a_100000212188_100009813290 [1,0,0,0,0,0|3,0,0]=4 272 B17R0.3110 CCCCCCCCCC=CC(=O)CCCCO 1458a_200015352897_100000210776 [1,0,0,0,0,0|1,0,2]=4 273 B17R0.3110 CCCCCCCCCC=CC(=O)NCCCO 240690a_100000182051_200015352897 [1,0,0,0,0,0|1,0,2]=4 274 B17R0.3110 CCCCCCCCCCCC(=NNCCO)C 4a_100000210001_100011216755 [1,0,0,0,0,0|3,0,0]=4 275 B17R0.3110 CCCCCCCCCCCC(=O)CC#CCO 1458a_100000210736_200000047223 [1,0,0,0,0,0|1,0,2]=4 276 B17R0.3110 CCCCCCCCCCCC(=O)CCCCO 1458a_100000210736_100000210776 [1,0,0,0,0,0|1,0,0]=2 277 B17R0.3110 CCCCCCCCCCCC(=O)CCCCO 1458a_100000695505_100011215454 [1,0,0,0,0,0|1,0,0]=2 278 B17R0.3110 CCCCCCCCCCCC(=O)CCCOC 1458a_100000210736_100000740836 [1,0,0,0,0,0|3,0,0]=4 279 B17R0.3110 CCCCCCCCCCCC(=O)CCCOC 1458a_100000741012_100011215454 [1,0,0,0,0,0|3,0,0]=4 280 B17R0.3110 CCCCCCCCCCCC(=O)CCOCC 1458a_100000210736_100011215890 [1,0,0,0,0,0|3,0,0]=4 281 B17R0.3110 CCCCCCCCCCCC(=O)CCOCC 1458a_100000749530_100011215454 [1,0,0,0,0,0|3,0,0]=4 282 B17R0.3110 CCCCCCCCCCCC(=O)COCCC 1458a_100000745993_100011215454 [1,0,0,0,0,0|3,0,0]=4 283 B17R0.3110 CCCCCCCCCCCC(=O)COCCO 1458a_100000708028_100011215454 [1,0,0,0,0,0|2,0,0]=3 284 B17R0.3110 CCCCCCCCCCCC(=O)NCCC#N 11a_100000720768_100000210736 [1,0,0,0,0,0|2,0,1]=4 285 B17R0.3110 CCCCCCCCCCCC(=O)NCCC#N 1626a_100000720768_100000210736 [1,0,0,0,0,0|2,0,1]=4 286 B17R0.3110 CCCCCCCCCCCC(=O)NCCC#N 240690a_100000720768_100000210736 [1,0,0,0,0,0|2,0,1]=4 287 B17R0.3110 CCCCCCCCCCCC(=O)NCCCC 11a_100000102301_100000210736 [1,0,0,0,0,0|2,0,0]=3 288 B17R0.3110 CCCCCCCCCCCC(=O)NCCCC 1626a_100000102301_100000210736 [1,0,0,0,0,0|2,0,0]=3 289 B17R0.3110 CCCCCCCCCCCC(=O)NCCCC 240690a_100000102301_100000210736 [1,0,0,0,0,0|2,0,0]=3 290 B17R0.3110 CCCCCCCCCCCC(=O)NCCCF 11a_100015189416_100000210736 [1,0,0,0,0,0|2,0,0]=3 291 B17R0.3110 CCCCCCCCCCCC(=O)NCCCF 1626a_100015189416_100000210736 [1,0,0,0,0,0|2,0,0]=3 292 B17R0.3110 CCCCCCCCCCCC(=O)NCCCF 240690a_100015189416_100000210736 [1,0,0,0,0,0|2,0,0]=3 293 B17R0.3110 CCCCCCCCCCCC(=O)NCCCO 240690a_100000182051_100000210736 [1,0,0,0,0,0|1,0,0]=2 294 B17R0.3110 CCCCCCCCCCCC(=O)NCCOC 1626a_100000209980_100000210736 [1,0,0,0,0,0|3,0,0]=4 295 B17R0.3110 CCCCCCCCCCCC(=O)NCCOC 240690a_100000209980_100000210736 [1,0,0,0,0,0|3,0,0]=4 296 B17R0.3110 CCCCCCCCCCCC(=O)NCCOC 34a_100007860320_200000210301 [1,0,0,0,0,0|3,0,0]=4 297 B17R0.3110 CCCCCCCCCCCC(=O)NCCOC 7a_100007860320_200000210301 [1,0,0,0,0,0|3,0,0]=4 298 B17R0.3110 CCCCCCCCCCCC(=O)NCCO[13CH3] 34a_100007860320_200025704644 [1,0,0,0,0,0|3,0,0]=4 299 B17R0.3110 CCCCCCCCCCCC(=O)NCCO[13CH3] 7a_100007860320_200025704644 [1,0,0,0,0,0|3,0,0]=4 300 B17R0.3110 CCCCCCCCCCCC(=O)NCCSC 11a_100020590264_100000210736 [1,0,0,0,0,0|3,0,0]=4 301 B17R0.3110 CCCCCCCCCCCC(=O)NCCSC 1626a_100020590264_100000210736 [1,0,0,0,0,0|3,0,0]=4 302 B17R0.3110 CCCCCCCCCCCC(=O)NCCSC 240690a_100020590264_100000210736 [1,0,0,0,0,0|3,0,0]=4 303 B17R0.3110 CCCCCCCCCCCC(=O)NNCCC 22a_100000740057_100000210736 [1,0,0,0,0,0|3,0,0]=4 304 B17R0.3110 CCCCCCCCCCCC(=O)NNCCO 22a_100000210001_100000210736 [1,0,0,0,0,0|2,0,0]=3 305 B17R0.3110 CCCCCCCCCCCC(=O)OCCNC 2230a_106832991635_100000091854 [1,0,0,0,0,0|2,0,0]=3 306 B17R0.3110 CCCCCCCCCCCC(=O)OCCNC 34a_100102657272_100000091854 [1,0,0,0,0,0|2,0,0]=3 307 B17R0.3110 CCCCCCCCCCCC(=O)OCCNC 7a_106832991635_100000091854 [1,0,0,0,0,0|2,0,0]=3 308 B17R0.3110 CCCCCCCCCCCC(=O)OCCOC 34a_100138415774_100000091854 [1,0,0,0,0,0|2,0,0]=3 309 B17R0.3110 CCCCCCCCCCCC(=O)OCCSC 62a_200000210301_100000091854 [1,0,0,0,0,0|2,0,0]=3 310 B17R0.3110 CCCCCCCCCCCC(=O)OCCS[13CH3] 62a_200025704644_100000091854 [1,0,0,0,0,0|2,0,0]=3 311 B17R0.3110 CCCCCCCCCCCC(=O)OCNCC 2230a_100015525214_100020644155 [1,0,0,0,0,0|2,0,0]=3 312 B17R0.3110 CCCCCCCCCCCC(=O)OCOCC 34a_100121572206_100020644155 [1,0,0,0,0,0|2,0,0]=3 313 B17R0.3110 CCCCCCCCCCCC(C)NCCCO 270004a_100000182051_100011216755 [1,0,0,0,0,0|2,0,1]=4 314 B17R0.3110 CCCCCCCCCCCC(C)OCCCO 34a_100011217895_100000230001 [1,0,0,0,0,0|1,0,1]=3 315 B17R0.3110 CCCCCCCCCCCC(C)OCCCO 7a_100011217895_100011215043 [1,0,0,0,0,0|1,0,1]=3 316 B17R0.3110 CCCCCCCCCCCN(C)CCCCO 2230a_100000717598_100011215454 [1,0,0,0,0,0|3,0,0]=4 317 B17R0.3110 CCCCCCCCCCCN(C)CCCCO 269982a_100000717598_100011215454 [1,0,0,0,0,0|3,0,0]=4 318 B17R0.3110 CCCCCCCCCCNC(=O)CCCCC 11a_100000684558_100000212188 [1,0,0,0,0,0|3,0,0]=4 319 B17R0.3110 CCCCCCCCCCNC(=O)CCCCC 1626a_100000684558_100000212188 [1,0,0,0,0,0|3,0,0]=4 320 B17R0.3110 CCCCCCCCCCNC(=O)CCCCC 240690a_100000684558_100000212188 [1,0,0,0,0,0|3,0,0]=4 321 B17R0.3110 CCCCCCCCCCNC(=O)CCCCC 527a_100000684558_100000212188 [1,0,0,0,0,0|3,0,0]=4 322 B17R0.3110 CCCCCCCCCCNC(=O)CCCCO 1626a_100000684558_100000695505 [1,0,0,0,0,0|2,0,0]=3 323 B17R0.3110 CCCCCCCCCCNC(=O)COCCO 1626a_100000684558_100000708028 [1,0,0,0,0,0|3,0,0]=4 324 B17R0.3110 CCCCCCCCCCNC(=O)COCCO 240690a_100000684558_100000708028 [1,0,0,0,0,0|3,0,0]=4 325 B17R0.3110 CCCCCCCCCCNC(=O)NCCCC 2708a_100000102301_100000684558 [1,0,0,0,0,0|3,0,0]=4 326 B17R0.3110 CCCCCCCCCCNC(=O)NCCCC 2708a_100000684558_100000102301 [1,0,0,0,0,0|3,0,0]=4 327 B17R0.3110 CCCCCCCCCCNC(=O)NCCCC 273464a_100000102301_100000684558 [1,0,0,0,0,0|3,0,0]=4 328 B17R0.3110 CCCCCCCCCCNC(=O)NCCCC 273464a_100000684558_100000102301 [1,0,0,0,0,0|3,0,0]=4 329 B17R0.3110 CCCCCCCCCCNC(=O)NCCCC 512a_100000102301_100000684558 [1,0,0,0,0,0|3,0,0]=4 330 B17R0.3110 CCCCCCCCCCNC(=O)NCCCC 512a_100000684558_100000102301 [1,0,0,0,0,0|3,0,0]=4 331 B17R0.3110 CCCCCCCCCCNC(=O)NCCCF 2708a_100000684558_100015189416 [1,0,0,0,0,0|3,0,0]=4 332 B17R0.3110 CCCCCCCCCCNC(=O)NCCCF 2708a_100015189416_100000684558 [1,0,0,0,0,0|3,0,0]=4 333 B17R0.3110 CCCCCCCCCCNC(=O)NCCCF 273464a_100000684558_100015189416 [1,0,0,0,0,0|3,0,0]=4 334 B17R0.3110 CCCCCCCCCCNC(=O)NCCCF 273464a_100015189416_100000684558 [1,0,0,0,0,0|3,0,0]=4 335 B17R0.3110 CCCCCCCCCCNC(=O)NCCCF 512a_100000684558_100015189416 [1,0,0,0,0,0|3,0,0]=4 336 B17R0.3110 CCCCCCCCCCNC(=O)NCCCF 512a_100015189416_100000684558 [1,0,0,0,0,0|3,0,0]=4 337 B17R0.3110 CCCCCCCCCCNC(=O)NCCCO 2708a_100000684558_100000182051 [1,0,0,0,0,0|2,0,0]=3 338 B17R0.3110 CCCCCCCCCCNC(=O)NCCCO 273464a_100000182051_100000684558 [1,0,0,0,0,0|2,0,0]=3 339 B17R0.3110 CCCCCCCCCCNC(=O)NCCCO 273464a_100000684558_100000182051 [1,0,0,0,0,0|2,0,0]=3 340 B17R0.3110 CCCCCCCCCCNC(=O)NCCCO 512a_100000684558_100000182051 [1,0,0,0,0,0|2,0,0]=3 341 B17R0.3110 CCCCCCCCCCNC(=O)NNCCO 273464a_100000684558_100000210001 [1,0,0,0,0,0|3,0,0]=4 342 B17R0.3110 CCCCCCCCCCNC(=O)NNCCO 512a_100000684558_100000210001 [1,0,0,0,0,0|3,0,0]=4 343 B17R0.3110 CCCCCCCCCCOC(=O)CNCCO 2230a_100016997473_100000210668 [1,0,0,0,0,0|3,0,0]=4 344 B17R0.3110 CCCCCCCCCCOC(=O)CNCCO 34a_100016990907_100000210668 [1,0,0,0,0,0|3,0,0]=4 345 B17R0.3110 CCCCCCCCCCOC(=O)CSCCO 62a_100000211926_100000680656 [1,0,0,0,0,0|3,0,0]=4 346 B17R0.3110 CCCCCCCCCCOC(=O)CSCCO 62a_100000680656_100000211926 [1,0,0,0,0,0|3,0,0]=4 347 B17R0.3110 CCCCCCCCCNCC(=O)CCCCC 2230a_100000212291_200012276598 [1,0,0,0,0,0|3,0,0]=4 348 B17R0.3110 CCCCCCCCCNCC(=O)CCCCC 34a_100000212291_200012276598 [1,0,0,0,0,0|3,0,0]=4 349 B17R0.3110 CCCCCCCCCNCC(=O)NCCCC 2230a_100000212291_100000182744 [1,0,0,0,0,0|3,0,0]=4 350 B17R0.3110 CCCCCCCCCNCC(=O)NCCCC 34a_100000212291_100000182744 [1,0,0,0,0,0|3,0,0]=4 351 B17R0.3110 CCCCCCCCCNCC(=O)OCCCC 2230a_100000212291_100000211628 [1,0,0,0,0,0|2,0,0]=3 352 B17R0.3110 CCCCCCCCCNCC(=O)OCCCC 34a_100000212291_100000211628 [1,0,0,0,0,0|2,0,0]=3 353 B17R0.3110 CCCCCCCCCNCC(=O)OCCOC 2230a_100000212291_200000040189 [1,0,0,0,0,0|3,0,0]=4 354 B17R0.3110 CCCCCCCCCNCC(=O)OCCOC 34a_100000212291_200000040189 [1,0,0,0,0,0|3,0,0]=4 355 B17R0.3110 CCCCCCCCCOCC(=O)CCCCC 34a_100000210712_200012276598 [1,0,0,0,0,0|3,0,0]=4 356 B17R0.3110 CCCCCCCCCOCC(=O)CCCCC 7a_100000210712_200012276598 [1,0,0,0,0,0|3,0,0]=4 357 B17R0.3110 CCCCCCCCCOCC(=O)NCCCC 34a_100000210712_100000182744 [1,0,0,0,0,0|3,0,0]=4 358 B17R0.3110 CCCCCCCCCOCC(=O)NCCCC 7a_100000210712_100000182744 [1,0,0,0,0,0|3,0,0]=4 359 B17R0.3110 CCCCCCCCCOCC(=O)OCCCC 34a_100000210712_100000211628 [1,0,0,0,0,0|2,0,0]=3 360 B17R0.3110 CCCCCCCCCOCC(=O)OCCCC 7a_100000210712_100000211628 [1,0,0,0,0,0|2,0,0]=3 361 B17R0.3110 CCCCCCCCCOCC(=O)OCCOC 34a_100000210712_200000040189 [1,0,0,0,0,0|3,0,0]=4 362 B17R0.3110 CCCCCCCCCOCC(=O)OCCOC 7a_100000210712_200000040189 [1,0,0,0,0,0|3,0,0]=4 363 B17R0.3110 CCCCCCCCCSCC(=O)NCCCC 62a_100000182744_100000210670 [1,0,0,0,0,0|3,0,0]=4 364 B17R0.3110 CCCCCCCCCSCC(=O)OCCCC 62a_100000211628_100000210670 [1,0,0,0,0,0|2,0,0]=3 365 B17R0.3110 CCCCCCCCCSCC(=O)OCCOC 62a_200000040189_100000210670 [1,0,0,0,0,0|3,0,0]=4 366 B17R0.3110 CCCCCCOCCOCC(=O)OCCCC 34a_100000691444_100000211628 [1,0,0,0,0,0|3,0,0]=4 367 B17R0.3110 CCCCCCOCCOCC(=O)OCCCC 7a_100000691444_100000211628 [1,0,0,0,0,0|3,0,0]=4 368 B17R0.3110 CCCCNC(=O)CCCCCCCCCCO 240690a_100000102301_200000016029 [1,0,0,0,0,0|3,0,0]=4 369 B17R0.3110 CCCCNCCCCOCC(=O)OCCCC 34a_200011216965_100000211628 [1,0,0,0,0,0|3,0,0]=4 370 B17R0.3110 CCCCOC(=O)CNCCCCCCCCO 2230a_102515433106_100000211628 [1,0,0,0,0,0|3,0,0]=4 371 B17R0.3110 CCCCOC(=O)CNCCCCCCCCO 34a_102515433106_100000211628 [1,0,0,0,0,0|3,0,0]=4 372 B17R0.3110 CCCCOC(=O)COCCCCCCCCBr 34a_100009813846_100000211628 [1,0,0,0,0,0|3,0,0]=4 373 B17R0.3110 CCCCOC(=O)COCCCCCCCCBr 7a_100009813846_100000211628 [1,0,0,0,0,0|3,0,0]=4 374 B17R0.3110 CCCCOC(=O)COCCCCCCCCCl 34a_100000033203_100000211628 [1,0,0,0,0,0|3,0,0]=4 375 B17R0.3110 CCCCOC(=O)COCCCCCCCCCl 7a_100000033203_100000211628 [1,0,0,0,0,0|3,0,0]=4 376 B17R0.3110 CCCCOC(=O)COCCCCCCCCN 34a_102515433106_100000211628 [1,0,0,0,0,0|3,0,0]=4 377 B17R0.3110 CCCCOC(=O)CSCCCCCCCCO 62a_100000033203_100000211628 [1,0,0,0,0,0|3,0,0]=4 378 B17R0.3110 CCCCOC(=O)CSCCCCCCCCO 62a_100000211628_100000033203 [1,0,0,0,0,0|3,0,0]=4 379 B17R0.3110 CCCCOCCCCOCC(=O)OCCCC 34a_200000760531_100000211628 [1,0,0,0,0,0|3,0,0]=4 380 B17R0.3110 CCCCOCCCCOCC(=O)OCCCC 7a_200000760531_100000211628 [1,0,0,0,0,0|3,0,0]=4 381 B17R0.3110 O=C(CCCCCCCCCCO)COCCO 1458a_100000708028_100009813290 [1,0,0,0,0,0|3,0,0]=4 382 B17R0.3110 O=C(CCCCCCCCCCO)NCCCF 240690a_100015189416_200000016029 [1,0,0,0,0,0|3,0,0]=4 383 B17R0.3110 O=C(CCCCCCCCCCO)NCCCO 240690a_100000182051_200000016029 [1,0,0,0,0,0|2,0,0]=3 384 B17R0.3110 O=C(CCCCCCCCCCO)NNCCO 22a_100000210001_200000016029 [1,0,0,0,0,0|3,0,0]=4 385 B17R0.3110 O=C(CCCCO)CCCCCCCCCCO 1458a_100000695505_100009813290 [1,0,0,0,0,0|2,0,0]=3 386 B17R0.3110 O=C(NCCCO)NCCCCCCCCCO 2708a_100000078944_100000182051 [1,0,0,0,0,0|3,0,0]=4 387 B17R0.3110 O=C(NCCCO)NCCCCCCCCCO 273464a_100000078944_100000182051 [1,0,0,0,0,0|3,0,0]=4 388 B17R0.3110 O=C(NCCCO)NCCCCCCCCCO 273464a_100000182051_100000078944 [1,0,0,0,0,0|3,0,0]=4 389 B17R0.3110 O=C(NCCCO)NCCCCCCCCCO 512a_100000078944_100000182051 [1,0,0,0,0,0|3,0,0]=4 390 B17R0.12415 C#CCCCCCCCCC(=O)NC[C@H](O)CO 240690a_100020644852_100000029693 [1,0,0,0,0,0|1,0,2]=4 391 B17R0.12415 C#CCCCCCCCCC(=O)NC[C@H](O)CO 527a_100020644852_100000029693 [1,0,0,0,0,0|1,0,2]=4 392 B17R0.12415 C=CCCCCCCCCC(=O)NC[C@H](O)CO 240690a_100020644852_100000211349 [1,0,0,0,0,0|1,0,2]=4 393 B17R0.12415 C=CCCCCCCCCC(=O)NC[C@H](O)CO 527a_100020644852_100000211349 [1,0,0,0,0,0|1,0,2]=4 394 B17R0.12415 CC#CCCCCCCCC(=O)NC[C@H](O)CO 240690a_100020644852_100000066323 [1,0,0,0,0,0|1,0,2]=4 395 B17R0.12415 CC#CCCCCCCCC(=O)NC[C@H](O)CO 527a_100020644852_100000066323 [1,0,0,0,0,0|1,0,2]=4 396 B17R0.12415 CC(CO)CNC(=O)CCCCCCCCCF 240690a_100000744482_200009909015 [1,0,0,0,0,0|3,0,0]=4 397 B17R0.12415 CC(CO)CNC(=O)CCCCCCCCCF 527a_100000744482_200009909015 [1,0,0,0,0,0|3,0,0]=4 398 B17R0.12415 CC(CO)CNC(=O)CCCCCCCCCO 240690a_100000744482_100000032657 [1,0,0,0,0,0|3,0,0]=4 399 B17R0.12415 CCC(O)CNC(=O)CCCCCCCCCF 11a_100011218483_200009909015 [1,0,0,0,0,0|3,0,0]=4 400 B17R0.12415 CCC(O)CNC(=O)CCCCCCCCCF 240690a_100011218483_200009909015 [1,0,0,0,0,0|3,0,0]=4 401 B17R0.12415 CCC(O)CNC(=O)CCCCCCCCCF 527a_100011218483_200009909015 [1,0,0,0,0,0|3,0,0]=4 402 B17R0.12415 CCC(O)CNC(=O)CCCCCCCCCO 240690a_100011218483_100000032657 [1,0,0,0,0,0|3,0,0]=4 403 B17R0.12415 CCCCCCCCC=CC(=O)NC[C@H](O)CO 240690a_100020644852_100015345288 [1,0,0,0,0,0|1,0,2]=4 404 B17R0.12415 CCCCCCCCCCC(=O)NCC(C)CC 11a_100020588543_100000210375 [1,0,0,0,0,0|3,0,0]=4 405 B17R0.12415 CCCCCCCCCCC(=O)NCC(C)CC 1626a_100020588543_100000210375 [1,0,0,0,0,0|3,0,0]=4 406 B17R0.12415 CCCCCCCCCCC(=O)NCC(C)CC 240690a_100020588543_100000210375 [1,0,0,0,0,0|3,0,0]=4 407 B17R0.12415 CCCCCCCCCCC(=O)NCC(C)CO 240690a_100000744482_100000210375 [1,0,0,0,0,0|2,0,0]=3 408 B17R0.12415 CCCCCCCCCCC(=O)NCC(O)CC 11a_100011218483_100000210375 [1,0,0,0,0,0|2,0,0]=3 409 B17R0.12415 CCCCCCCCCCC(=O)NCC(O)CC 240690a_100011218483_100000210375 [1,0,0,0,0,0|2,0,0]=3 410 B17R0.12415 CCCCCCCCCCC(=O)NC[C@@H](F)CO 240690a_100015665980_100000210375 [1,0,0,0,0,0|2,0,0]=3 411 B17R0.12415 CCCCCCCCCCC(=O)NC[C@H](O)CO 240690a_100020644852_100000210375 [1,0,0,0,0,0|1,0,0]=2 412 B17R0.12415 CCCCCCCCCCC(C)OCC(O)CC 34a_100011215000_100011218378 [1,0,0,0,0,0|2,0,1]=4 413 B17R0.12415 CCCCCCCCCCC(C)OCC(O)CC 7a_100011215000_100011218378 [1,0,0,0,0,0|2,0,1]=4 414 B17R0.12415 CCCCCCCCCCC(C)OCC(O)CO 34a_100011215000_100011219619 [1,0,0,0,0,0|1,0,1]=3 415 B17R0.12415 CCCCCCCCCCC(C)OCC(O)CO 7a_100011215000_100011219619 [1,0,0,0,0,0|1,0,1]=3 416 B17R0.12415 CCCCCCCCCCC(C)OC[C@@H](C)CO 34a_100011215000_100000059175 [1,0,0,0,0,0|2,0,1]=4 417 B17R0.12415 CCCCCCCCCCC(C)OC[C@@H](C)CO 7a_100011215000_100000059175 [1,0,0,0,0,0|2,0,1]=4 418 B17R0.12415 CCCCCCCCCCC(C)OC[C@@H](O)CF 34a_100011215000_100015614560 [1,0,0,0,0,0|2,0,1]=4 419 B17R0.12415 CCCCCCCCCCC(C)OC[C@@H](O)CF 7a_100011215000_100015614560 [1,0,0,0,0,0|2,0,1]=4 420 B17R0.12415 CCCCCCCCCCC(C)OC[C@@H](O)CO 34a_100011215000_100009815848 [1,0,0,0,0,0|1,0,1]=3 421 B17R0.12415 CCCCCCCCCCC(C)OC[C@@H](O)CO 7a_100011215000_100009815848 [1,0,0,0,0,0|1,0,1]=3 422 B17R0.12415 CCCCCCCCCNC(=O)CCC(O)CC 1626a_100000212291_203496584001 [1,0,0,0,0,0|3,0,0]=4 423 B17R0.12415 CCCCCCCCCNC(=O)CCC(O)CC 240690a_100000212291_203496584001 [1,0,0,0,0,0|3,0,0]=4 424 B17R0.12415 CCCCCCCCCNC(=O)NCC(C)CO 2708a_100000212291_100000744482 [1,0,0,0,0,0|3,0,0]=4 425 B17R0.12415 CCCCCCCCCNC(=O)NCC(C)CO 273464a_100000212291_100000744482 [1,0,0,0,0,0|3,0,0]=4 426 B17R0.12415 CCCCCCCCCNC(=O)NCC(C)CO 273464a_100000744482_100000212291 [1,0,0,0,0,0|3,0,0]=4 427 B17R0.12415 CCCCCCCCCNC(=O)NCC(C)CO 512a_100000212291_100000744482 [1,0,0,0,0,0|3,0,0]=4 428 B17R0.12415 CCCCCCCCCNC(=O)NCC(C)CO 512a_100000744482_100000212291 [1,0,0,0,0,0|3,0,0]=4 429 B17R0.12415 CCCCCCCCCNC(=O)NCC(O)CC 2708a_100000212291_100011218483 [1,0,0,0,0,0|3,0,0]=4 430 B17R0.12415 CCCCCCCCCNC(=O)NCC(O)CC 273464a_100000212291_100011218483 [1,0,0,0,0,0|3,0,0]=4 431 B17R0.12415 CCCCCCCCCNC(=O)NCC(O)CC 273464a_100011218483_100000212291 [1,0,0,0,0,0|3,0,0]=4 432 B17R0.12415 CCCCCCCCCNC(=O)NCC(O)CC 512a_100011218483_100000212291 [1,0,0,0,0,0|3,0,0]=4 433 B17R0.12415 CCCCCCCCCNC(=O)NC[C@@H](F)CO 2708a_100000212291_100015665980 [1,0,0,0,0,0|3,0,0]=4 434 B17R0.12415 CCCCCCCCCNC(=O)NC[C@@H](F)CO 273464a_100000212291_100015665980 [1,0,0,0,0,0|3,0,0]=4 435 B17R0.12415 CCCCCCCCCNC(=O)NC[C@@H](F)CO 273464a_100015665980_100000212291 [1,0,0,0,0,0|3,0,0]=4 436 B17R0.12415 CCCCCCCCCNC(=O)NC[C@@H](F)CO 512a_100000212291_100015665980 [1,0,0,0,0,0|3,0,0]=4 437 B17R0.12415 CCCCCCCCCNC(=O)NC[C@@H](F)CO 512a_100015665980_100000212291 [1,0,0,0,0,0|3,0,0]=4 438 B17R0.12415 CCCCCCCCCNC(=O)NC[C@H](O)CO 2708a_100000212291_100020644852 [1,0,0,0,0,0|2,0,0]=3 439 B17R0.12415 CCCCCCCCCNC(=O)NC[C@H](O)CO 273464a_100000212291_100020644852 [1,0,0,0,0,0|2,0,0]=3 440 B17R0.12415 CCCCCCCCCNC(=O)NC[C@H](O)CO 273464a_100020644852_100000212291 [1,0,0,0,0,0|2,0,0]=3 441 B17R0.12415 CCCCCCCCNCC(=O)NCC(O)CO 2230a_100000229939_200012027429 [1,0,0,0,0,0|2,0,0]=3 442 B17R0.12415 CCCCCCCCNCC(=O)NCC(O)CO 34a_100000229939_200012027429 [1,0,0,0,0,0|2,0,0]=3 443 B17R0.12415 CCCCCCCCOCC(=O)NCC(C)CO 240690a_100000744482_100000759886 [1,0,0,0,0,0|3,0,0]=4 444 B17R0.12415 CCCCCCCCOCC(=O)NCC(C)CO 527a_100000744482_100000759886 [1,0,0,0,0,0|3,0,0]=4 445 B17R0.12415 CCCCCCCCOCC(=O)NCC(O)CC 11a_100011218483_100000759886 [1,0,0,0,0,0|3,0,0]=4 446 B17R0.12415 CCCCCCCCOCC(=O)NCC(O)CC 240690a_100011218483_100000759886 [1,0,0,0,0,0|3,0,0]=4 447 B17R0.12415 CCCCCCCCOCC(=O)NCC(O)CC 527a_100011218483_100000759886 [1,0,0,0,0,0|3,0,0]=4 448 B17R0.12415 CCCCCCCCOCC(=O)NCC(O)CO 34a_100000210232_200012027429 [1,0,0,0,0,0|2,0,0]=3 449 B17R0.12415 CCCCCCCCOCC(=O)NCC(O)CO 7a_100000210232_200012027429 [1,0,0,0,0,0|2,0,0]=3 450 B17R0.12415 CCCCCCCCOCC(=O)NC[C@@H](F)CO 240690a_100015665980_100000759886 [1,0,0,0,0,0|3,0,0]=4 451 B17R0.12415 CCCCCCCCOCC(=O)NC[C@@H](F)CO 527a_100015665980_100000759886 [1,0,0,0,0,0|3,0,0]=4 452 B17R0.12415 CCCCCCCCOCC(=O)NC[C@H](O)CO 240690a_100020644852_100000759886 [1,0,0,0,0,0|2,0,0]=3 453 B17R0.12415 CCCCCCCCOCC(=O)NC[C@H](O)CO 527a_100020644852_100000759886 [1,0,0,0,0,0|2,0,0]=3 454 B17R0.12415 CCCCCCCCSCC(=O)NCC(O)CO 62a_100000210759_200012027429 [1,0,0,0,0,0|2,0,0]=3 455 B17R0.12415 CCCCCCCCSCC(=O)NCC(O)CO 62a_200012027429_100000210317 [1,0,0,0,0,0|2,0,0]=3 456 B17R0.12415 CCCCCNCCOCC(=O)NCC(O)CO 34a_100000224656_200012027429 [1,0,0,0,0,0|3,0,0]=4 457 B17R0.12415 CCCCCOCCOCC(=O)NCC(O)CO 34a_100011215259_200012027429 [1,0,0,0,0,0|3,0,0]=4 458 B17R0.12415 CCCCCOCCOCC(=O)NCC(O)CO 7a_100011215259_200012027429 [1,0,0,0,0,0|3,0,0]=4 459 B17R0.12415 CCCCOCCCNCC(=O)NCC(O)CO 2230a_200000211371_200012027429 [1,0,0,0,0,0|3,0,0]=4 460 B17R0.12415 CCCCOCCCNCC(=O)NCC(O)CO 34a_200000211371_200012027429 [1,0,0,0,0,0|3,0,0]=4 461 B17R0.12415 CCCCOCCCOCC(=O)NCC(O)CO 34a_200011215613_200012027429 [1,0,0,0,0,0|3,0,0]=4 462 B17R0.12415 CCCCOCCCOCC(=O)NCC(O)CO 7a_200011215613_200012027429 [1,0,0,0,0,0|3,0,0]=4 463 B17R0.12415 COCCCCCCOCC(=O)NCC(O)CO 34a_200012092642_200012027429 [1,0,0,0,0,0|3,0,0]=4 464 B17R0.12415 COCCCCCCOCC(=O)NCC(O)CO 7a_200012092642_200012027429 [1,0,0,0,0,0|3,0,0]=4 465 B17R0.12415 COCCCCCCSCC(=O)NCC(O)CO 62a_100011998445_200012027429 [1,0,0,0,0,0|3,0,0]=4 466 B17R0.12415 COCCCCCCSCC(=O)NCC(O)CO 62a_200012027429_100011998445 [1,0,0,0,0,0|3,0,0]=4 467 B17R0.12415 NCCCCCCCOCC(=O)NCC(O)CO 34a_100011996573_200012027429 [1,0,0,0,0,0|3,0,0]=4 468 B17R0.12415 O=C(CCCCCCCCCF)NC[C@@H](F)CO 240690a_100015665980_200009909015 [1,0,0,0,0,0|3,0,0]=4 469 B17R0.12415 O=C(CCCCCCCCCF)NC[C@@H](F)CO 527a_100015665980_200009909015 [1,0,0,0,0,0|3,0,0]=4 470 B17R0.12415 O=C(CCCCCCCCCF)NC[C@H](O)CO 240690a_100020644852_200009909015 [1,0,0,0,0,0|2,0,0]=3 471 B17R0.12415 O=C(CCCCCCCCCF)NC[C@H](O)CO 527a_100020644852_200009909015 [1,0,0,0,0,0|2,0,0]=3 472 B17R0.12415 O=C(CCCCCCCCCO)NC[C@@H](F)CO 240690a_100015665980_100000032657 [1,0,0,0,0,0|3,0,0]=4 473 B17R0.12415 O=C(CCCCCCCCCO)NC[C@H](O)CO 240690a_100020644852_100000032657 [1,0,0,0,0,0|2,0,0]=3 474 B17R0.12415 O=C(COCCCCCCCBr)NCC(O)CO 34a_100000760002_200012027429 [1,0,0,0,0,0|3,0,0]=4 475 B17R0.12415 O=C(COCCCCCCCBr)NCC(O)CO 7a_100000760002_200012027429 [1,0,0,0,0,0|3,0,0]=4 476 B17R0.12415 O=C(CSCCCCCCCO)NCC(O)CO 62a_100000760002_200012027429 [1,0,0,0,0,0|3,0,0]=4 477 B17R0.12415 O=C(CSCCCCCCCO)NCC(O)CO 62a_200012027429_100000760002 [1,0,0,0,0,0|3,0,0]=4 478 B19R1.1007 CCCCCCCCCCCC(=O)C1CCC(C1)O 1458a_100000688591_100011215454 [0,0,0,1,0,0|2,0,0]=3 479 B19R1.1007 CCCCCCCCCCCC(=O)N1CCC(C1)O 240690a_100011215560_100000210736 [0,0,0,1,0,0|2,0,0]=3 480 B19R1.1007 CCCCCCCCCCCC(=O)N1CC[C@@H](C1)F 11a_100015203821_100000210736 [0,0,0,1,0,0|3,0,0]=4 481 B19R1.1007 CCCCCCCCCCCC(=O)N1CC[C@@H](C1)F 1626a_100015203821_100000210736 [0,0,0,1,0,0|3,0,0]=4 482 B19R1.1007 CCCCCCCCCCCC(=O)N1CC[C@@H](C1)F 240690a_100015203821_100000210736 [0,0,0,1,0,0|3,0,0]=4 483 B19R1.1007 CCCCCCCCCCCC(=O)N1CC[C@H](C1)C 11a_100016987628_100000210736 [0,0,0,1,0,0|3,0,0]=4 484 B19R1.1007 CCCCCCCCCCCC(=O)N1CC[C@H](C1)C 240690a_100016987628_100000210736 [0,0,0,1,0,0|3,0,0]=4 485 B19R1.1007 CCCCCCCCCCNC(=O)C1CCC(C1)O 1626a_100000684558_100000688591 [0,0,0,1,0,0|3,0,0]=4 486 B19R1.1007 CCCCCCCCCCNC(=O)C1CCC(C1)O 240690a_100000684558_100000688591 [0,0,0,1,0,0|3,0,0]=4 487 B19R1.1007 CCCCCCCCCCNC(=O)N1CCC(C1)O 2708a_100000684558_100011215560 [0,0,0,1,0,0|3,0,0]=4 488 B19R1.1007 CCCCCCCCCCNC(=O)N1CCC(C1)O 273464a_100000684558_100011215560 [0,0,0,1,0,0|3,0,0]=4 489 B19R1.1007 O=C(CCCCCCCCCCO)C1CCC(C1)O 1458a_100000688591_100009813290 [0,0,0,1,0,0|3,0,0]=4 490 B19R1.1007 O=C(CCCCCCCCCCO)N1CCC(C1)O 240690a_100011215560_200000016029 [0,0,0,1,0,0|3,0,0]=4 491 B19R1.7517 CCC1CCCCN1CCNC(=O)NC[C@H](O)CO 2708a_100000755458_100020644852 [0,0,0,1,0,0|3,0,0]=4 492 B19R1.7517 CCC1CCCCN1CCNC(=O)NC[C@H](O)CO 273464a_100000755458_100020644852 [0,0,0,1,0,0|3,0,0]=4 493 B19R1.7517 CCC1CCCCN1CCNC(=O)NC[C@H](O)CO 273464a_100020644852_100000755458 [0,0,0,1,0,0|3,0,0]=4 494 B19R1.7517 CCN1CCCCC1CNCC(=O)NCC(O)CO 2230a_100000754393_200012027429 [0,0,0,1,0,0|3,0,0]=4 495 B19R1.7517 CCN1CCCCC1CNCC(=O)NCC(O)CO 34a_100000754393_200012027429 [0,0,0,1,0,0|3,0,0]=4 496 B19R1.7517 CCN1CCCCC1COCC(=O)NCC(O)CO 34a_100000225091_200012027429 [0,0,0,1,0,0|3,0,0]=4 497 B19R1.7517 CCN1CCCCC1COCC(=O)NCC(O)CO 7a_100000225091_200012027429 [0,0,0,1,0,0|3,0,0]=4 498 B19R1.10653 CC(CO)CNC(=O)CCCCCN1CCCCC1 240690a_100000744482_100012051570 [0,0,0,1,0,0|3,0,0]=4 499 B19R1.10653 CCC(O)CNC(=O)CCCCCN1CCCCC1 11a_100011218483_100012051570 [0,0,0,1,0,0|3,0,0]=4 500 B19R1.10653 CCC(O)CNC(=O)CCCCCN1CCCCC1 240690a_100011218483_100012051570 [0,0,0,1,0,0|3,0,0]=4 501 B19R1.10653 O=C(CCCCCN1CCCCC1)NC[C@@H](F)CO 240690a_100015665980_100012051570 [0,0,0,1,0,0|3,0,0]=4 502 B19R1.10653 O=C(CCCCCN1CCCCC1)NC[C@H](O)CO 240690a_100020644852_100012051570 [0,0,0,1,0,0|2,0,0]=3 503 B19R1.10653 O=C(CCCCCN1CCOCC1)NC[C@H](O)CO 240690a_100020644852_100012051560 [0,0,0,1,0,0|3,0,0]=4 504 B19R1.10653 O=C(CNCCCC1CCCCC1)NCC(O)CO 2230a_100011211642_200012027429 [0,0,0,1,0,0|2,0,0]=3 505 B19R1.10653 O=C(CNCCCC1CCCCC1)NCC(O)CO 34a_100011211642_200012027429 [0,0,0,1,0,0|2,0,0]=3 506 B19R1.10653 O=C(CNCCOC1CCCCC1)NCC(O)CO 34a_100015206981_200012027429 [0,0,0,1,0,0|3,0,0]=4 507 B19R1.10653 O=C(COCCCC1CCCCC1)NCC(O)CO 34a_100000198086_200012027429 [0,0,0,1,0,0|2,0,0]=3 508 B19R1.10653 O=C(COCCCC1CCCCC1)NCC(O)CO 7a_100000198086_200012027429 [0,0,0,1,0,0|2,0,0]=3 509 B19R1.10653 O=C(COCCCC1CCCCN1)NCC(O)CO 34a_100011934581_200012027429 [0,0,0,1,0,0|3,0,0]=4 510 B19R1.10653 O=C(COCCCC1CCCNC1)NCC(O)CO 34a_100150707839_200012027429 [0,0,0,1,0,0|3,0,0]=4 511 B19R1.10653 O=C(COCCCC1CCNCC1)NCC(O)CO 34a_100016988962_200012027429 [0,0,0,1,0,0|3,0,0]=4 512 B19R1.10653 O=C(COCCCN1CCCCC1)NCC(O)CO 34a_100000212458_200012027429 [0,0,0,1,0,0|3,0,0]=4 513 B19R1.10653 O=C(COCCNC1CCCCC1)NCC(O)CO 34a_100000200466_200012027429 [0,0,0,1,0,0|3,0,0]=4 514 B19R1.10653 O=C(COCCOC1CCCCC1)NCC(O)CO 34a_100011249652_200012027429 [0,0,0,1,0,0|3,0,0]=4 515 B19R1.10653 O=C(COCCOC1CCCCC1)NCC(O)CO 7a_100011249652_200012027429 [0,0,0,1,0,0|3,0,0]=4 516 B19R1.10653 O=C(CSCCCC1CCCCC1)NCC(O)CO 62a_100011713725_200012027429 [0,0,0,1,0,0|2,0,0]=3 517 B19R1.10653 O=C(CSCCCC1CCCCC1)NCC(O)CO 62a_200012027429_100011713725 [0,0,0,1,0,0|2,0,0]=3 518 B19R1.10653 O=C(CSCCCN1CCCCC1)NCC(O)CO 62a_100132302099_200012027429 [0,0,0,1,0,0|3,0,0]=4 519 B19R1.10653 O=C(CSCCCN1CCCCC1)NCC(O)CO 62a_200012027429_100000007876 [0,0,0,1,0,0|3,0,0]=4 520 B19R1.10653 O=C(CSCCOC1CCCCC1)NCC(O)CO 62a_100011211530_200012027429 [0,0,0,1,0,0|3,0,0]=4 521 B19R1.10653 O=C(CSCCOC1CCCCC1)NCC(O)CO 62a_200012027429_100011211530 [0,0,0,1,0,0|3,0,0]=4 522 B19R1.10653 O=C(NCCCCN1CCCCC1)NC[C@H](O)CO 2708a_200011207366_100020644852 [0,0,0,1,0,0|3,0,0]=4 523 B19R1.10653 O=C(NCCCCN1CCCCC1)NC[C@H](O)CO 273464a_100020644852_200011207366 [0,0,0,1,0,0|3,0,0]=4 524 B19R1.10653 O=C(NCCCCN1CCCCC1)NC[C@H](O)CO 273464a_200011207366_100020644852 [0,0,0,1,0,0|3,0,0]=4 525 B19R1.10653 O=C(NCCCOC1CCCCC1)NC[C@H](O)CO 2708a_100000205933_100020644852 [0,0,0,1,0,0|3,0,0]=4 526 B19R1.10653 O=C(NCCCOC1CCCCC1)NC[C@H](O)CO 273464a_100000205933_100020644852 [0,0,0,1,0,0|3,0,0]=4 527 B19R1.10653 O=C(NCCCOC1CCCCC1)NC[C@H](O)CO 273464a_100020644852_100000205933 [0,0,0,1,0,0|3,0,0]=4 528 B19R1.10667 O=C(CNCCCOC1CCCC1)NCC(O)CO 34a_100000747560_200012027429 [0,0,0,1,0,0|3,0,0]=4 529 B19R1.10667 O=C(NCCCCCN1CCCC1)NC[C@H](O)CO 2708a_100011491779_100020644852 [0,0,0,1,0,0|3,0,0]=4 530 B19R1.10667 O=C(NCCCCCN1CCCC1)NC[C@H](O)CO 273464a_100011491779_100020644852 [0,0,0,1,0,0|3,0,0]=4 531 B19R1.10667 O=C(NCCCCCN1CCCC1)NC[C@H](O)CO 273464a_100020644852_100011491779 [0,0,0,1,0,0|3,0,0]=4 532 B19R1.29757 CCCC1CCCCC1OCC(=O)NCC(O)CO 34a_100011217265_200012027429 [0,0,0,1,0,0|2,0,0]=3 533 B19R1.29757 CCCC1CCCCC1OCC(=O)NCC(O)CO 7a_100011217265_200012027429 [0,0,0,1,0,0|2,0,0]=3 534 B19R1.30343 CCCN1CCCC1COCC(=O)NCC(O)CO 34a_200000694710_200012027429 [0,0,0,1,0,0|3,0,0]=4 535 B19R1.30343 CCCN1CCCC1COCC(=O)NCC(O)CO 7a_200000694710_200012027429 [0,0,0,1,0,0|3,0,0]=4 536 B19R1.46530 CCCCCCCCCCCN1CC[C@H]([C@H](C1)O)O 2230a_100000690696_100011215454 [0,0,0,1,0,0|3,0,0]=4 537 B19R1.46530 CCCCCCCCCCCN1CC[C@H]([C@H](C1)O)O 269982a_100000690696_100011215454 [0,0,0,1,0,0|3,0,0]=4 538 B19R1.48408 COCCC1CCCCN1CC(=O)NCC(O)CO 2230a_100015186528_200012027429 [0,0,0,1,0,0|3,0,0]=4 539 B19R1.48408 COCCC1CCCCN1CC(=O)NCC(O)CO 269982a_100015186528_200012027429 [0,0,0,1,0,0|3,0,0]=4 540 B19R1.48408 COCCC1CCCCN1CC(=O)NCC(O)CO 34a_100015186528_200012027429 [0,0,0,1,0,0|3,0,0]=4 541 B19R1.48408 O=C(CN1CCCCC1CCCO)NCC(O)CO 2230a_100011934581_200012027429 [0,0,0,1,0,0|3,0,0]=4 542 B19R1.48408 O=C(CN1CCCCC1CCCO)NCC(O)CO 269982a_100011934581_200012027429 [0,0,0,1,0,0|3,0,0]=4 543 B19R1.48408 O=C(CN1CCCCC1CCCO)NCC(O)CO 34a_100011934581_200012027429 [0,0,0,1,0,0|3,0,0]=4 544 B19R1.50842 CC1CCCCN1CCCNC(=O)NC[C@H](O)CO 273464a_100000212276_100020644852 [0,0,0,1,0,0|3,0,0]=4 545 B19R1.50842 CC1CCCCN1CCCNC(=O)NC[C@H](O)CO 273464a_100020644852_100000212276 [0,0,0,1,0,0|3,0,0]=4 546 B19R1.50842 CC1CCCCN1CCNCC(=O)NCC(O)CO 2230a_100000739827_200012027429 [0,0,0,1,0,0|3,0,0]=4 547 B19R1.50842 CC1CCCCN1CCNCC(=O)NCC(O)CO 34a_100000739827_200012027429 [0,0,0,1,0,0|3,0,0]=4 548 B19R1.50842 CC1CCCCN1CCOCC(=O)NCC(O)CO 34a_100011305533_200012027429 [0,0,0,1,0,0|3,0,0]=4 549 B19R1.50842 CN1CCCCC1CCSCC(=O)NCC(O)CO 62a_100000211948_200012027429 [0,0,0,1,0,0|3,0,0]=4 550 B19R1.50842 CN1CCCCC1CCSCC(=O)NCC(O)CO 62a_200012027429_100000211948 [0,0,0,1,0,0|3,0,0]=4 551 B19R1.54560 COCCCC1CCCCN1C(=O)NC[C@H](O)CO 273464a_100020644852_100011804088 [0,0,0,1,0,0|3,0,0]=4 552 B19R1.55078 CCCCCCCCCCCC(=O)NCC1CCC1 11a_100000738700_100000210736 [0,0,0,1,0,0|3,0,0]=4 553 B19R1.55078 CCCCCCCCCCCC(=O)NCC1CCC1 1626a_100000738700_100000210736 [0,0,0,1,0,0|3,0,0]=4 554 B19R1.55078 CCCCCCCCCCCC(=O)NCC1CCC1 240690a_100000738700_100000210736 [0,0,0,1,0,0|3,0,0]=4 555 B19R1.55078 CCCCCCCCCCCC(=O)NCC1COC1 11a_100015281925_100000210736 [0,0,0,1,0,0|2,0,0]=3 556 B19R1.55078 CCCCCCCCCCCC(=O)NCC1COC1 1626a_100015281925_100000210736 [0,0,0,1,0,0|2,0,0]=3 557 B19R1.55078 CCCCCCCCCCCC(=O)NCC1COC1 240690a_100015281925_100000210736 [0,0,0,1,0,0|2,0,0]=3 558 B19R1.55078 CCCCCCCCCCCC(=O)NC[C@@H]1CCO1 11a_100020831831_100000210736 [0,0,0,1,0,0|2,0,0]=3 559 B19R1.55078 CCCCCCCCCCCC(=O)NC[C@@H]1CCO1 1626a_100020831831_100000210736 [0,0,0,1,0,0|2,0,0]=3 560 B19R1.55078 CCCCCCCCCCCC(=O)NC[C@@H]1CCO1 240690a_100020831831_100000210736 [0,0,0,1,0,0|2,0,0]=3 561 B19R1.55078 CCCCCCCCCCCC(=O)NNC1COC1 22a_100015188821_100000210736 [0,0,0,1,0,0|3,0,0]=4 562 B19R1.55078 CCCCCCCCCCCC(=O)OCN1CCC1 269982a_100000754969_100020644155 [0,0,0,1,0,0|3,0,0]=4 563 B19R1.55078 CCCCCCCCCCCC(C)OCC1COC1 34a_100011217895_100010264016 [0,0,0,1,0,0|2,0,1]=4 564 B19R1.55078 CCCCCCCCCCCC(C)OCC1COC1 7a_100011217895_100010264016 [0,0,0,1,0,0|2,0,1]=4 565 B19R1.55078 CCCCCCCCCCNC(=O)NCC1COC1 2708a_100000684558_100015281925 [0,0,0,1,0,0|3,0,0]=4 566 B19R1.55078 CCCCCCCCCCNC(=O)NCC1COC1 2708a_100015281925_100000684558 [0,0,0,1,0,0|3,0,0]=4 567 B19R1.55078 CCCCCCCCCCNC(=O)NCC1COC1 273464a_100000684558_100015281925 [0,0,0,1,0,0|3,0,0]=4 568 B19R1.55078 CCCCCCCCCCNC(=O)NCC1COC1 273464a_100015281925_100000684558 [0,0,0,1,0,0|3,0,0]=4 569 B19R1.55078 CCCCCCCCCCNC(=O)NCC1COC1 512a_100000684558_100015281925 [0,0,0,1,0,0|3,0,0]=4 570 B19R1.55078 CCCCCCCCCCNC(=O)NCC1COC1 512a_100015281925_100000684558 [0,0,0,1,0,0|3,0,0]=4 571 B19R1.55078 CCCCCCCCCCNC(=O)NC[C@@H]1CCO1 2708a_100000684558_100020831831 [0,0,0,1,0,0|3,0,0]=4 572 B19R1.55078 CCCCCCCCCCNC(=O)NC[C@@H]1CCO1 2708a_100020831831_100000684558 [0,0,0,1,0,0|3,0,0]=4 573 B19R1.55078 CCCCCCCCCCNC(=O)NC[C@@H]1CCO1 273464a_100000684558_100020831831 [0,0,0,1,0,0|3,0,0]=4 574 B19R1.55078 CCCCCCCCCCNC(=O)NC[C@@H]1CCO1 273464a_100020831831_100000684558 [0,0,0,1,0,0|3,0,0]=4 575 B19R1.55078 CCCCCCCCCCNC(=O)NC[C@@H]1CCO1 512a_100000684558_100020831831 [0,0,0,1,0,0|3,0,0]=4 576 B19R1.55078 CCCCCCCCCCNC(=O)NC[C@@H]1CCO1 512a_100020831831_100000684558 [0,0,0,1,0,0|3,0,0]=4 577 B19R1.55078 O=C(CCCCCCCCCCO)NCC1COC1 240690a_100015281925_200000016029 [0,0,0,1,0,0|3,0,0]=4 578 B19R1.55078 O=C(CCCCCCCCCCO)NC[C@@H]1CCO1 240690a_100020831831_200000016029 [0,0,0,1,0,0|3,0,0]=4 579 B19R1.142049 CCCCCCCCCCCC(=O)NCC1(CC1)C 11a_100000766693_100000210736 [0,0,0,1,0,0|3,0,0]=4 580 B19R1.142049 CCCCCCCCCCCC(=O)NCC1(CC1)C 1626a_100000766693_100000210736 [0,0,0,1,0,0|3,0,0]=4 581 B19R1.142049 CCCCCCCCCCCC(=O)NCC1(CC1)C 240690a_100000766693_100000210736 [0,0,0,1,0,0|3,0,0]=4 582 B19R1.142049 CCCCCCCCCCCC(=O)NCC1(CC1)O 11a_100011936951_100000210736 [0,0,0,1,0,0|2,0,0]=3 583 B19R1.142049 CCCCCCCCCCCC(=O)NCC1(CC1)O 240690a_100011936951_100000210736 [0,0,0,1,0,0|2,0,0]=3 584 B19R1.142049 CCCCCCCCCCNC(=O)NCC1(CC1)O 2708a_100000684558_100011936951 [0,0,0,1,0,0|3,0,0]=4 585 B19R1.142049 CCCCCCCCCCNC(=O)NCC1(CC1)O 2708a_100011936951_100000684558 [0,0,0,1,0,0|3,0,0]=4 586 B19R1.142049 CCCCCCCCCCNC(=O)NCC1(CC1)O 273464a_100000684558_100011936951 [0,0,0,1,0,0|3,0,0]=4 587 B19R1.142049 CCCCCCCCCCNC(=O)NCC1(CC1)O 512a_100000684558_100011936951 [0,0,0,1,0,0|3,0,0]=4 588 B19R1.142049 CCCCCCCCCCNC(=O)NCC1(CC1)O 512a_100011936951_100000684558 [0,0,0,1,0,0|3,0,0]=4 589 B19R1.142049 O=C(CCCCCCCCCCO)NCC1(CC1)O 240690a_100011936951_200000016029 [0,0,0,1,0,0|3,0,0]=4 590 B19R1.404971 CC(CO)CNC(=O)NCCC1CCCCCCC1 2708a_100011532352_100000744482 [0,0,0,1,0,0|3,0,0]=4 591 B19R1.404971 CC(CO)CNC(=O)NCCC1CCCCCCC1 273464a_100000744482_100011532352 [0,0,0,1,0,0|3,0,0]=4 592 B19R1.404971 CC(CO)CNC(=O)NCCC1CCCCCCC1 273464a_100011532352_100000744482 [0,0,0,1,0,0|3,0,0]=4 593 B19R1.404971 CC(CO)CNC(=O)NCCC1CCCCCCC1 512a_100000744482_100011532352 [0,0,0,1,0,0|3,0,0]=4 594 B19R1.404971 CCC(O)CCC(=O)NCCC1CCCCCCC1 1626a_100011532352_203496584001 [0,0,0,1,0,0|3,0,0]=4 595 B19R1.404971 CCC(O)CCC(=O)NCCC1CCCCCCC1 240690a_100011532352_203496584001 [0,0,0,1,0,0|3,0,0]=4 596 B19R1.404971 CCC(O)CNC(=O)NCCC1CCCCCCC1 2708a_100011532352_100011218483 [0,0,0,1,0,0|3,0,0]=4 597 B19R1.404971 CCC(O)CNC(=O)NCCC1CCCCCCC1 273464a_100011218483_100011532352 [0,0,0,1,0,0|3,0,0]=4 598 B19R1.404971 CCC(O)CNC(=O)NCCC1CCCCCCC1 273464a_100011532352_100011218483 [0,0,0,1,0,0|3,0,0]=4 599 B19R1.404971 CCC(O)CNC(=O)NCCC1CCCCCCC1 512a_100011218483_100011532352 [0,0,0,1,0,0|3,0,0]=4 600 B19R1.404971 O=C(COCC1CCCCCCC1)NCC(O)CO 34a_100011216312_200012027429 [0,0,0,1,0,0|2,0,0]=3 601 B19R1.404971 O=C(COCC1CCCCCCC1)NCC(O)CO 7a_100011216312_200012027429 [0,0,0,1,0,0|2,0,0]=3 602 B19R1.404971 O=C(NCCC1CCCCCCC1)NC[C@@H](F)CO 2708a_100011532352_100015665980 [0,0,0,1,0,0|3,0,0]=4 603 B19R1.404971 O=C(NCCC1CCCCCCC1)NC[C@@H](F)CO 273464a_100011532352_100015665980 [0,0,0,1,0,0|3,0,0]=4 604 B19R1.404971 O=C(NCCC1CCCCCCC1)NC[C@@H](F)CO 273464a_100015665980_100011532352 [0,0,0,1,0,0|3,0,0]=4 605 B19R1.404971 O=C(NCCC1CCCCCCC1)NC[C@@H](F)CO 512a_100015665980_100011532352 [0,0,0,1,0,0|3,0,0]=4 606 B19R1.404971 O=C(NCCC1CCCCCCC1)NC[C@H](O)CO 2708a_100011532352_100020644852 [0,0,0,1,0,0|2,0,0]=3 607 B19R1.404971 O=C(NCCC1CCCCCCC1)NC[C@H](O)CO 273464a_100011532352_100020644852 [0,0,0,1,0,0|2,0,0]=3 608 B19R1.404971 O=C(NCCC1CCCCCCC1)NC[C@H](O)CO 273464a_100020644852_100011532352 [0,0,0,1,0,0|2,0,0]=3 609 B19R1.446764 O=C(CNCCC1CCCCCC1)NCC(O)CO 2230a_100011532351_200012027429 [0,0,0,1,0,0|2,0,0]=3 610 B19R1.446764 O=C(CNCCC1CCCCCC1)NCC(O)CO 34a_100011532351_200012027429 [0,0,0,1,0,0|2,0,0]=3 611 B19R1.446764 O=C(COCCN1CCCCCC1)NCC(O)CO 34a_100000238007_200012027429 [0,0,0,1,0,0|3,0,0]=4 612 B19R1.446764 O=C(CSCCN1CCCCCC1)NCC(O)CO 62a_100000722644_200012027429 [0,0,0,1,0,0|3,0,0]=4 613 B19R1.446764 O=C(CSCCN1CCCCCC1)NCC(O)CO 62a_200012027429_100000722644 [0,0,0,1,0,0|3,0,0]=4 614 B19R1.446764 O=C(NCCCN1CCCCCC1)NC[C@H](O)CO 273464a_100000181460_100020644852 [0,0,0,1,0,0|3,0,0]=4 615 B19R1.446764 O=C(NCCCN1CCCCCC1)NC[C@H](O)CO 273464a_100020644852_100000181460 [0,0,0,1,0,0|3,0,0]=4 616 B19R1.499288 CCCCCCCCCCCC(=O)N1C[C@@H]([C@@H]1C)O 11a_206633788156_100000210736 [0,0,0,1,0,0|2,0,0]=3 617 B19R1.499288 CCCCCCCCCCCC(=O)N1C[C@@H]([C@@H]1C)O 240690a_206633788156_100000210736 [0,0,0,1,0,0|2,0,0]=3 618 B19R1.499288 CCCCCCCCCCNC(=O)N1C[C@@H]([C@@H]1C)O 2708a_100000684558_206633788156 [0,0,0,1,0,0|3,0,0]=4 619 B19R1.499288 CCCCCCCCCCNC(=O)N1C[C@@H]([C@@H]1C)O 273464a_100000684558_206633788156 [0,0,0,1,0,0|3,0,0]=4 620 B19R1.499288 C[C@H]1[C@H](CN1C(=O)CCCCCCCCCCO)O 240690a_206633788156_200000016029 [0,0,0,1,0,0|3,0,0]=4 621 B19R1.499290 CCCCCCCCCCCC(=O)C1CC(C1)CO 1458a_206645079618_100011215454 [0,0,0,1,0,0|2,0,0]=3 622 B19R1.499290 CCCCCCCCCCCC(=O)N1CC(C1)CC 11a_100015205115_100000210736 [0,0,0,1,0,0|3,0,0]=4 623 B19R1.499290 CCCCCCCCCCCC(=O)N1CC(C1)CC 1626a_100015205115_100000210736 [0,0,0,1,0,0|3,0,0]=4 624 B19R1.499290 CCCCCCCCCCCC(=O)N1CC(C1)CC 240690a_100015205115_100000210736 [0,0,0,1,0,0|3,0,0]=4 625 B19R1.499290 CCCCCCCCCCCC(=O)N1CC(C1)CF 11a_100010363649_100000210736 [0,0,0,1,0,0|3,0,0]=4 626 B19R1.499290 CCCCCCCCCCCC(=O)N1CC(C1)CF 240690a_100010363649_100000210736 [0,0,0,1,0,0|3,0,0]=4 627 B19R1.499290 CCCCCCCCCCCC(=O)N1CC(C1)CO 240690a_100016987283_100000210736 [0,0,0,1,0,0|2,0,0]=3 628 B19R1.499290 CCCCCCCCCCNC(=O)C1CC(C1)CO 1626a_100000684558_206645079618 [0,0,0,1,0,0|3,0,0]=4 629 B19R1.499290 CCCCCCCCCCNC(=O)N1CC(C1)CO 2708a_100000684558_100016987283 [0,0,0,1,0,0|3,0,0]=4 630 B19R1.499290 CCCCCCCCCCNC(=O)N1CC(C1)CO 273464a_100000684558_100016987283 [0,0,0,1,0,0|3,0,0]=4 631 B19R1.499290 O=C(CCCCCCCCCCO)C1CC(C1)CO 1458a_206645079618_100009813290 [0,0,0,1,0,0|3,0,0]=4 632 B19R1.499290 O=C(CCCCCCCCCCO)N1CC(C1)CO 240690a_100016987283_200000016029 [0,0,0,1,0,0|3,0,0]=4 633 B17R0.13601 C=CCCCCCCCCCC(=O)CC(O)CC 1458a_100011667805_100009814027 [0,0,0,0,1,0|1,0,2]=4 634 B17R0.13601 CCC(C)CC(=O)CCCCCCCCCCO 1458a_100000708755_100009813290 [0,0,0,0,1,0|3,0,0]=4 635 B17R0.13601 CCC(O)CC(=O)CCCCCCCCCCO 1458a_100011667805_100009813290 [0,0,0,0,1,0|2,0,0]=3 636 B17R0.13601 CCC(O)CC(=O)NCCCCCCCCCO 240690a_100000078944_100011667805 [0,0,0,0,1,0|3,0,0]=4 637 B17R0.13601 CCCCCCCCCC=CC(=O)CC(O)CC 1458a_200015352897_100011218378 [0,0,0,0,1,0|1,0,2]=4 638 B17R0.13601 CCCCCCCCCC=CC(=O)C[C@@H](C)CO 1458a_200015352897_100000059175 [0,0,0,0,1,0|1,0,2]=4 639 B17R0.13601 CCCCCCCCCCCC(=O)CC(=O)CC 1458a_100000210736_100000747405 [0,0,0,0,1,0|1,0,2]=4 640 B17R0.13601 CCCCCCCCCCCC(=O)CC(O)CC 1458a_100000210736_100011218378 [0,0,0,0,1,0|1,0,0]=2 641 B17R0.13601 CCCCCCCCCCCC(=O)CC(O)CC 1458a_100011667805_100011215454 [0,0,0,0,1,0|1,0,0]=2 642 B17R0.13601 CCCCCCCCCCCC(=O)CN(C)CC 1458a_100116209913_100011215454 [0,0,0,0,1,0|3,0,0]=4 643 B17R0.13601 CCCCCCCCCCCC(=O)C[C@@H](C)CO 1458a_100000210736_100000059175 [0,0,0,0,1,0|1,0,0]=2 644 B17R0.13601 CCCCCCCCCCCC(=O)NC(C)CC 11a_100000209981_100000210736 [0,0,0,0,1,0|3,0,0]=4 645 B17R0.13601 CCCCCCCCCCCC(=O)NC(C)CC 1626a_100000209981_100000210736 [0,0,0,0,1,0|3,0,0]=4 646 B17R0.13601 CCCCCCCCCCCC(=O)NC(C)CC 240690a_100000209981_100000210736 [0,0,0,0,1,0|3,0,0]=4 647 B17R0.13601 CCCCCCCCCCCC(=O)N[C@H](C)CF 11a_100102880703_100000210736 [0,0,0,0,1,0|3,0,0]=4 648 B17R0.13601 CCCCCCCCCCCC(=O)N[C@H](C)CF 1626a_100102880703_100000210736 [0,0,0,0,1,0|3,0,0]=4 649 B17R0.13601 CCCCCCCCCCCC(=O)N[C@H](C)CF 240690a_100102880703_100000210736 [0,0,0,0,1,0|3,0,0]=4 650 B17R0.13601 CCCCCCCCCCCC(=O)N[C@H](C)CO 240690a_100000737577_100000210736 [0,0,0,0,1,0|2,0,0]=3 651 B17R0.13601 CCCCCCCCCCCC(C)OC(C)CO 34a_100011217895_100012180447 [0,0,0,0,1,0|2,0,1]=4 652 B17R0.13601 CCCCCCCCCCCC(C)OC(C)CO 7a_100011217895_100012180447 [0,0,0,0,1,0|2,0,1]=4 653 B17R0.13601 CCCCCCCCCCCN(C)CC(O)CO 2230a_100011216503_100011215454 [0,0,0,0,1,0|2,0,0]=3 654 B17R0.13601 CCCCCCCCCCCN(C)CC(O)CO 269982a_100011216503_100011215454 [0,0,0,0,1,0|2,0,0]=3 655 B17R0.13601 CCCCCCCCCCNC(=O)CC(C)CC 11a_100000684558_100000708755 [0,0,0,0,1,0|3,0,0]=4 656 B17R0.13601 CCCCCCCCCCNC(=O)CC(C)CC 1626a_100000684558_100000708755 [0,0,0,0,1,0|3,0,0]=4 657 B17R0.13601 CCCCCCCCCCNC(=O)CC(C)CC 240690a_100000684558_100000708755 [0,0,0,0,1,0|3,0,0]=4 658 B17R0.13601 CCCCCCCCCCNC(=O)CC(C)CC 527a_100000684558_100000708755 [0,0,0,0,1,0|3,0,0]=4 659 B17R0.13601 CCCCCCCCCCNC(=O)CC(O)CC 1626a_100000684558_100011667805 [0,0,0,0,1,0|2,0,0]=3 660 B17R0.13601 CCCCCCCCCCNC(=O)CC(O)CC 240690a_100000684558_100011667805 [0,0,0,0,1,0|2,0,0]=3 661 B17R0.13601 CCCCCCCCCCNC(=O)N[C@H](C)CO 2708a_100000684558_100000737577 [0,0,0,0,1,0|3,0,0]=4 662 B17R0.13601 CCCCCCCCCCNC(=O)N[C@H](C)CO 273464a_100000737577_100000684558 [0,0,0,0,1,0|3,0,0]=4 663 B17R0.13601 CCCCCCCCCCNC(=O)N[C@H](C)CO 512a_100000684558_100000737577 [0,0,0,0,1,0|3,0,0]=4 664 B17R0.13601 CCCCCCCCCCNC(=O)N[C@H](C)CO 512a_100000737577_100000684558 [0,0,0,0,1,0|3,0,0]=4 665 B17R0.13601 CCCCCCCCCCOC(=O)CC(=O)CO 1458a_100000210174_100000210668 [0,0,0,0,1,0|1,0,2]=4 666 B17R0.13601 CN(CCCCCCCCCCO)CC(O)CO 2230a_100011216503_100009813290 [0,0,0,0,1,0|3,0,0]=4 667 B17R0.13601 CN(CCCCCCCCCCO)CC(O)CO 269982a_100011216503_100009813290 [0,0,0,0,1,0|3,0,0]=4 668 B17R0.13601 C[C@H](CO)NC(=O)CCCCCCCCCCO 240690a_100000737577_200000016029 [0,0,0,0,1,0|3,0,0]=4 669 B16R0.274 CC(O)COCCCCCCCCCCCBr 34a_100009812471_100011218427 [2,0,0,0,0,0|1,0,1]=4 670 B16R0.274 CC(O)COCCCCCCCCCCCBr 7a_100009812471_100011218427 [2,0,0,0,0,0|1,0,1]=4 671 B16R0.274 CCCCCCCCCCCCNCC(C)O 2230a_100000210451_100011218427 [2,0,0,0,0,0|1,0,1]=4 672 B16R0.274 CCCCCCCCCCCCNCC(C)O 2230a_100000210904_100011215052 [2,0,0,0,0,0|1,0,1]=4 673 B16R0.274 CCCCCCCCCCCCNCC(C)O 270004a_100000210904_100011218549 [2,0,0,0,0,0|1,0,1]=4 674 B16R0.274 CCCCCCCCCCCCNCC(C)O 34a_100000210451_100011218427 [2,0,0,0,0,0|1,0,1]=4 675 B16R0.274 CCCCCCCCCCCCNCC(C)O 34a_100000210904_100000759014 [2,0,0,0,0,0|1,0,1]=4 676 B16R0.274 CCCCCCCCCCCCNC[C@@H](C)O 2230a_100000210451_100009817552 [2,0,0,0,0,0|1,0,1]=4 677 B16R0.274 CCCCCCCCCCCCNC[C@@H](C)O 34a_100000210451_100009817552 [2,0,0,0,0,0|1,0,1]=4 678 B16R0.274 CCCCCCCCCCCCOCC(C)O 34a_100000210810_100011218427 [2,0,0,0,0,0|0,0,1]=3 679 B16R0.274 CCCCCCCCCCCCOCC(C)O 7a_100000210810_100011218427 [2,0,0,0,0,0|0,0,1]=3 680 B16R0.274 CCCCCCCCCCCCOC[C@@H](C)N 34a_100000737577_100000759014 [2,0,0,0,0,0|1,0,1]=4 681 B16R0.274 CCCCCCCCCCCCOC[C@@H](C)O 34a_100000210810_100009817552 [2,0,0,0,0,0|0,0,1]=3 682 B16R0.274 CCCCCCCCCCCCOC[C@@H](C)O 7a_100000210810_100009817552 [2,0,0,0,0,0|0,0,1]=3 683 B16R0.274 CCCCCCCCCCCNCCC(C)O 2230a_200000755665_100011215454 [2,0,0,0,0,0|2,0,0]=4 684 B16R0.274 CCCCCCCCCCCNCCC(C)O 2230a_200011215754_100012276601 [2,0,0,0,0,0|2,0,0]=4 685 B16R0.274 CCCCCCCCCCCNCCC(C)O 34a_200011215754_100012276601 [2,0,0,0,0,0|2,0,0]=4 686 B16R0.274 CCCCCCCCCCCOCCC(C)O 34a_100000210809_100012276601 [2,0,0,0,0,0|2,0,0]=4 687 B16R0.274 CCCCCCCCCCCOCCC(C)O 7a_100000210809_100012276601 [2,0,0,0,0,0|2,0,0]=4 688 B16R0.274 CCOCCCCCCCCCOCC(C)O 34a_100009875440_100011218427 [2,0,0,0,0,0|1,0,1]=4 689 B16R0.274 CCOCCCCCCCCCOCC(C)O 7a_100009875440_100011218427 [2,0,0,0,0,0|1,0,1]=4 690 B16R0.274 CCOCCCCCCCCCOC[C@@H](C)O 34a_100009875440_100009817552 [2,0,0,0,0,0|1,0,1]=4 691 B16R0.274 CCOCCCCCCCCCOC[C@@H](C)O 7a_100009875440_100009817552 [2,0,0,0,0,0|1,0,1]=4 692 B16R0.274 C[C@@H](O)COCCCCCCCCCCCBr 34a_100009812471_100009817552 [2,0,0,0,0,0|1,0,1]=4 693 B16R0.274 C[C@@H](O)COCCCCCCCCCCCBr 7a_100009812471_100009817552 [2,0,0,0,0,0|1,0,1]=4 694 B16R0.661 C#CCCC(=O)CCCCCCCCCCC 1458a_100000210736_100000753159 [2,0,0,0,0,0|1,0,1]=4 695 B16R0.661 C#CCCC(=O)CCCCCCCCCCC 1458a_100000692101_100011215454 [2,0,0,0,0,0|1,0,1]=4 696 B16R0.661 CCC#CC(=O)CCCCCCCCCCC 1458a_100011827653_100011215454 [2,0,0,0,0,0|1,0,1]=4 697 B16R0.661 CCCCC(=O)CCCCCCCCCCO 1458a_100000210183_100009813290 [2,0,0,0,0,0|2,0,0]=4 698 B16R0.661 CCCCCCCCCC=CC(=O)CCCO 1458a_200015352897_100011215043 [2,0,0,0,0,0|0,0,2]=4 699 B16R0.661 CCCCCCCCCCCC(=O)C#CCO 1458a_100000049017_100011215454 [2,0,0,0,0,0|0,0,2]=4 700 B16R0.661 CCCCCCCCCCCC(=O)CCC#N 1458a_100000210736_100011215226 [2,0,0,0,0,0|1,0,1]=4 701 B16R0.661 CCCCCCCCCCCC(=O)CCC#N 1458a_100011934036_100011215454 [2,0,0,0,0,0|1,0,1]=4 702 B16R0.661 CCCCCCCCCCCC(=O)CCCO 1458a_100000210736_100011215043 [2,0,0,0,0,0|0,0,0]=2 703 B16R0.661 CCCCCCCCCCCC(=O)CCOC 1458a_100000210736_100000233755 [2,0,0,0,0,0|2,0,0]=4 704 B16R0.661 CCCCCCCCCCCC(=O)CCOC 1458a_100000749529_100011215454 [2,0,0,0,0,0|2,0,0]=4 705 B16R0.661 CCCCCCCCCCCC(=O)COCC 1458a_100000211967_100011215454 [2,0,0,0,0,0|2,0,0]=4 706 B16R0.661 CCCCCCCCCCCC(=O)NCCC 11a_100020643023_100000210736 [2,0,0,0,0,0|1,0,0]=3 707 B16R0.661 CCCCCCCCCCCC(=O)NCCC 1626a_100020643023_100000210736 [2,0,0,0,0,0|1,0,0]=3 708 B16R0.661 CCCCCCCCCCCC(=O)NCCC 240690a_100020643023_100000210736 [2,0,0,0,0,0|1,0,0]=3 709 B16R0.661 CCCCCCCCCCCC(=O)NCCF 11a_100000724931_100000210736 [2,0,0,0,0,0|2,0,0]=4 710 B16R0.661 CCCCCCCCCCCC(=O)NCCF 1626a_100000724931_100000210736 [2,0,0,0,0,0|2,0,0]=4 711 B16R0.661 CCCCCCCCCCCC(=O)NCCF 240690a_100000724931_100000210736 [2,0,0,0,0,0|2,0,0]=4 712 B16R0.661 CCCCCCCCCCCC(=O)NCCO 240690a_100000210304_100000210736 [2,0,0,0,0,0|1,0,0]=3 713 B16R0.661 CCCCCCCCCCCC(=O)NNCC 22a_100000756455_100000210736 [2,0,0,0,0,0|2,0,0]=4 714 B16R0.661 CCCCCCCCCCCC(=O)OCNC 2230a_106832991635_100020644155 [2,0,0,0,0,0|1,0,0]=3 715 B16R0.661 CCCCCCCCCCCC(=O)OCNC 34a_100102657272_100020644155 [2,0,0,0,0,0|1,0,0]=3 716 B16R0.661 CCCCCCCCCCCC(=O)OCNC 7a_106832991635_100020644155 [2,0,0,0,0,0|1,0,0]=3 717 B16R0.661 CCCCCCCCCCCC(=O)OCOC 34a_100138415774_100020644155 [2,0,0,0,0,0|1,0,0]=3 718 B16R0.661 CCCCCCCCCCCC(=O)OCSC 62a_200000210301_100020644155 [2,0,0,0,0,0|1,0,0]=3 719 B16R0.661 CCCCCCCCCCCC(=O)OCS[13CH3] 62a_200025704644_100020644155 [2,0,0,0,0,0|1,0,0]=3 720 B16R0.661 CCCCCCCCCCCC(C)OCCO 34a_100011217895_100000211926 [2,0,0,0,0,0|1,0,1]=4 721 B16R0.661 CCCCCCCCCCCC(C)OCCO 7a_100011217895_100000211926 [2,0,0,0,0,0|1,0,1]=4 722 B16R0.661 CCCCCCCCCCCN(C)CCCO 2230a_100000213112_100011215454 [2,0,0,0,0,0|2,0,0]=4 723 B16R0.661 CCCCCCCCCCCN(C)CCCO 269982a_100000213112_100011215454 [2,0,0,0,0,0|2,0,0]=4 724 B16R0.661 CCCCCCCCCCNC(=O)CCCC 11a_100000684558_100000210183 [2,0,0,0,0,0|2,0,0]=4 725 B16R0.661 CCCCCCCCCCNC(=O)CCCC 1626a_100000684558_100000210183 [2,0,0,0,0,0|2,0,0]=4 726 B16R0.661 CCCCCCCCCCNC(=O)CCCC 240690a_100000684558_100000210183 [2,0,0,0,0,0|2,0,0]=4 727 B16R0.661 CCCCCCCCCCNC(=O)CCCC 527a_100000684558_100000210183 [2,0,0,0,0,0|2,0,0]=4 728 B16R0.661 CCCCCCCCCCNC(=O)NCCC 2708a_100000684558_100020643023 [2,0,0,0,0,0|2,0,0]=4 729 B16R0.661 CCCCCCCCCCNC(=O)NCCC 2708a_100020643023_100000684558 [2,0,0,0,0,0|2,0,0]=4 730 B16R0.661 CCCCCCCCCCNC(=O)NCCC 273464a_100000684558_100020643023 [2,0,0,0,0,0|2,0,0]=4 731 B16R0.661 CCCCCCCCCCNC(=O)NCCC 273464a_100020643023_100000684558 [2,0,0,0,0,0|2,0,0]=4 732 B16R0.661 CCCCCCCCCCNC(=O)NCCC 512a_100000684558_100020643023 [2,0,0,0,0,0|2,0,0]=4 733 B16R0.661 CCCCCCCCCCNC(=O)NCCC 512a_100020643023_100000684558 [2,0,0,0,0,0|2,0,0]=4 734 B16R0.661 CCCCCCCCCCNC(=O)NCCO 2708a_100000684558_100000210304 [2,0,0,0,0,0|2,0,0]=4 735 B16R0.661 CCCCCCCCCCNC(=O)NCCO 273464a_100000210304_100000684558 [2,0,0,0,0,0|2,0,0]=4 736 B16R0.661 CCCCCCCCCCNC(=O)NCCO 273464a_100000684558_100000210304 [2,0,0,0,0,0|2,0,0]=4 737 B16R0.661 CCCCCCCCCCNC(=O)NCCO 512a_100000684558_100000210304 [2,0,0,0,0,0|2,0,0]=4 738 B16R0.661 CCCCCCCCCNCC(=O)NCCC 2230a_100000174927_100011214924 [2,0,0,0,0,0|2,0,0]=4 739 B16R0.661 CCCCCCCCCNCC(=O)NCCC 2230a_100000212291_100000183358 [2,0,0,0,0,0|2,0,0]=4 740 B16R0.661 CCCCCCCCCNCC(=O)NCCC 34a_100000212291_100000183358 [2,0,0,0,0,0|2,0,0]=4 741 B16R0.661 CCCCCCCCCNCC(=O)OCCC 2230a_100000212291_200011215008 [2,0,0,0,0,0|1,0,0]=3 742 B16R0.661 CCCCCCCCCNCC(=O)OCCC 34a_100000212291_200011215008 [2,0,0,0,0,0|1,0,0]=3 743 B16R0.661 CCCCCCCCCOCC(=O)NCCC 34a_100000210712_100000183358 [2,0,0,0,0,0|2,0,0]=4 744 B16R0.661 CCCCCCCCCOCC(=O)NCCC 7a_100000210712_100000183358 [2,0,0,0,0,0|2,0,0]=4 745 B16R0.661 CCCCCCCCCOCC(=O)OCCC 34a_100000210712_200011215008 [2,0,0,0,0,0|1,0,0]=3 746 B16R0.661 CCCCCCCCCOCC(=O)OCCC 7a_100000210712_200011215008 [2,0,0,0,0,0|1,0,0]=3 747 B16R0.661 CCCCCCCCCSCC(=O)NCCC 62a_100000183358_100000210670 [2,0,0,0,0,0|2,0,0]=4 748 B16R0.661 CCCCCCCCCSCC(=O)OCCC 62a_200011215008_100000210670 [2,0,0,0,0,0|1,0,0]=3 749 B16R0.661 CCCCCCCCNCOC(=O)OCCC 34a_100000229939_200000139673 [2,0,0,0,0,0|2,0,0]=4 750 B16R0.661 CCCCCCCCOCOC(=O)OCCC 34a_100000210232_200000139673 [2,0,0,0,0,0|2,0,0]=4 751 B16R0.661 CCCCCCCCOCOC(=O)OCCC 7a_100000210232_200000139673 [2,0,0,0,0,0|2,0,0]=4 752 B16R0.661 CCCCCCCCSCOC(=O)OCCC 62a_100000210759_200000139673 [2,0,0,0,0,0|2,0,0]=4 753 B16R0.661 CCCCCCCNCCCC(=O)NCCC 2230a_100000229938_100011194427 [2,0,0,0,0,0|2,0,0]=4 754 B16R0.661 CCCCCCCOCCCC(=O)NCCC 7a_100000210272_100011194427 [2,0,0,0,0,0|2,0,0]=4 755 B16R0.661 CCCCCCCSCCCC(=O)NCCC 62a_100000210614_100011194427 [2,0,0,0,0,0|2,0,0]=4 756 B16R0.661 CCCCCCCSCCCC(=O)NCCC 62a_100011194427_100000210316 [2,0,0,0,0,0|2,0,0]=4 757 B16R0.661 CCCCCCOCCOCC(=O)OCCC 34a_100000691444_200011215008 [2,0,0,0,0,0|2,0,0]=4 758 B16R0.661 CCCCCCOCCOCC(=O)OCCC 7a_100000691444_200011215008 [2,0,0,0,0,0|2,0,0]=4 759 B16R0.661 CCCCNCCCCOCC(=O)OCCC 34a_200011216965_200011215008 [2,0,0,0,0,0|2,0,0]=4 760 B16R0.661 CCCCOCCCCOCC(=O)OCCC 34a_200000760531_200011215008 [2,0,0,0,0,0|2,0,0]=4 761 B16R0.661 CCCCOCCCCOCC(=O)OCCC 7a_200000760531_200011215008 [2,0,0,0,0,0|2,0,0]=4 762 B16R0.661 CCCNC(=O)CCCCCCCCCCO 240690a_100020643023_200000016029 [2,0,0,0,0,0|2,0,0]=4 763 B16R0.661 CCCOC(=O)CNCCCCCCCCO 2230a_102515433106_200011215008 [2,0,0,0,0,0|2,0,0]=4 764 B16R0.661 CCCOC(=O)CNCCCCCCCCO 34a_102515433106_200011215008 [2,0,0,0,0,0|2,0,0]=4 765 B16R0.661 CCCOC(=O)COCCCCCCCCBr 34a_100009813846_200011215008 [2,0,0,0,0,0|2,0,0]=4 766 B16R0.661 CCCOC(=O)COCCCCCCCCBr 7a_100009813846_200011215008 [2,0,0,0,0,0|2,0,0]=4 767 B16R0.661 CCCOC(=O)COCCCCCCCCCl 34a_100000033203_200011215008 [2,0,0,0,0,0|2,0,0]=4 768 B16R0.661 CCCOC(=O)COCCCCCCCCCl 7a_100000033203_200011215008 [2,0,0,0,0,0|2,0,0]=4 769 B16R0.661 CCCOC(=O)COCCCCCCCCN 34a_102515433106_200011215008 [2,0,0,0,0,0|2,0,0]=4 770 B16R0.661 CCCOC(=O)CSCCCCCCCCO 62a_100000033203_200011215008 [2,0,0,0,0,0|2,0,0]=4 771 B16R0.661 CCCOC(=O)CSCCCCCCCCO 62a_200011215008_100000033203 [2,0,0,0,0,0|2,0,0]=4 772 B16R0.661 O=C(CCCCCCCCCCO)NCCO 240690a_100000210304_200000016029 [2,0,0,0,0,0|2,0,0]=4 773 B16R0.3183 CC(O)CCC(=O)CCCCCCCCCF 1458a_200009909015_100012276601 [2,0,0,0,0,0|2,0,0]=4 774 B16R0.3183 CC(O)CNC(=O)CCCCCCCCCF 11a_100000210904_200009909015 [2,0,0,0,0,0|2,0,0]=4 775 B16R0.3183 CC(O)CNC(=O)CCCCCCCCCF 240690a_100000210904_200009909015 [2,0,0,0,0,0|2,0,0]=4 776 B16R0.3183 CC(O)CNC(=O)CCCCCCCCCF 527a_100000210904_200009909015 [2,0,0,0,0,0|2,0,0]=4 777 B16R0.3183 CC(O)CNC(=O)CCCCCCCCCO 240690a_100000210904_100000032657 [2,0,0,0,0,0|2,0,0]=4 778 B16R0.3183 CCCCCCCCCCC(=O)CCC(C)O 1458a_100000210375_100012276601 [2,0,0,0,0,0|1,0,0]=3 779 B16R0.3183 CCCCCCCCCCC(=O)NCC(C)C 11a_100000210953_100000210375 [2,0,0,0,0,0|2,0,0]=4 780 B16R0.3183 CCCCCCCCCCC(=O)NCC(C)C 1626a_100000210953_100000210375 [2,0,0,0,0,0|2,0,0]=4 781 B16R0.3183 CCCCCCCCCCC(=O)NCC(C)C 240690a_100000210953_100000210375 [2,0,0,0,0,0|2,0,0]=4 782 B16R0.3183 CCCCCCCCCCC(=O)NCC(C)O 11a_100000210904_100000210375 [2,0,0,0,0,0|1,0,0]=3 783 B16R0.3183 CCCCCCCCCCC(=O)NCC(C)O 240690a_100000210904_100000210375 [2,0,0,0,0,0|1,0,0]=3 784 B16R0.3183 CCCCCCCCCCC(C)OCC(C)O 34a_100011215000_100011218427 [2,0,0,0,0,0|1,0,1]=4 785 B16R0.3183 CCCCCCCCCCC(C)OCC(C)O 7a_100011215000_100011218427 [2,0,0,0,0,0|1,0,1]=4 786 B16R0.3183 CCCCCCCCCCC(C)OC[C@@H](C)O 34a_100011215000_100009817552 [2,0,0,0,0,0|1,0,1]=4 787 B16R0.3183 CCCCCCCCCCC(C)OC[C@@H](C)O 7a_100011215000_100009817552 [2,0,0,0,0,0|1,0,1]=4 788 B16R0.3183 CCCCCCCCCNC(=O)CCC(C)O 1626a_100000212291_100000718519 [2,0,0,0,0,0|2,0,0]=4 789 B16R0.3183 CCCCCCCCCNC(=O)NCC(C)O 2708a_100000212291_100000210904 [2,0,0,0,0,0|2,0,0]=4 790 B16R0.3183 CCCCCCCCCNC(=O)NCC(C)O 273464a_100000210904_100000212291 [2,0,0,0,0,0|2,0,0]=4 791 B16R0.3183 CCCCCCCCCNC(=O)NCC(C)O 273464a_100000212291_100000210904 [2,0,0,0,0,0|2,0,0]=4 792 B16R0.3183 CCCCCCCCCNC(=O)NCC(C)O 512a_100000210904_100000212291 [2,0,0,0,0,0|2,0,0]=4 793 B16R0.3183 CCCCCCCCCNC(=O)NCC(C)O 512a_100000212291_100000210904 [2,0,0,0,0,0|2,0,0]=4 794 B16R0.3183 CCCCCCCCOCC(=O)CCC(C)O 1458a_100000759886_100012276601 [2,0,0,0,0,0|2,0,0]=4 795 B16R0.3183 CCCCCCCCOCC(=O)NCC(C)O 11a_100000210904_100000759886 [2,0,0,0,0,0|2,0,0]=4 796 B16R0.3183 CCCCCCCCOCC(=O)NCC(C)O 240690a_100000210904_100000759886 [2,0,0,0,0,0|2,0,0]=4 797 B16R0.3183 CCCCCCCCOCC(=O)NCC(C)O 527a_100000210904_100000759886 [2,0,0,0,0,0|2,0,0]=4 798 B16R0.221 C#CCCCCCCCCCOCC(O)CO 34a_100000034437_100011219619 [2,0,0,0,0,0|0,0,2]=4 799 B16R0.221 C#CCCCCCCCCCOCC(O)CO 7a_100000034437_100011219619 [2,0,0,0,0,0|0,0,2]=4 800 B16R0.221 C#CCCCCCCCCCOC[C@@H](O)CO 34a_100000034437_100009815848 [2,0,0,0,0,0|0,0,2]=4 801 B16R0.221 C#CCCCCCCCCCOC[C@@H](O)CO 7a_100000034437_100009815848 [2,0,0,0,0,0|0,0,2]=4 802 B16R0.221 C=CC(O)COCCCCCCCCCCC 34a_100000210809_100000730141 [2,0,0,0,0,0|1,0,1]=4 803 B16R0.221 C=CC(O)COCCCCCCCCCCC 7a_100000210809_100000730141 [2,0,0,0,0,0|1,0,1]=4 804 B16R0.221 C=CCCCCCCCCCOCC(O)CO 34a_100000038209_100011219619 [2,0,0,0,0,0|0,0,2]=4 805 B16R0.221 C=CCCCCCCCCCOCC(O)CO 7a_100000038209_100011219619 [2,0,0,0,0,0|0,0,2]=4 806 B16R0.221 C=CCCCCCCCCCOC[C@@H](O)CO 34a_100000038209_100009815848 [2,0,0,0,0,0|0,0,2]=4 807 B16R0.221 C=CCCCCCCCCCOC[C@@H](O)CO 7a_100000038209_100009815848 [2,0,0,0,0,0|0,0,2]=4 808 B16R0.221 CCC(O)COCCCCCCCCCCBr 34a_100009813290_100011218378 [2,0,0,0,0,0|2,0,0]=4 809 B16R0.221 CCC(O)COCCCCCCCCCCBr 7a_100009813290_100011218378 [2,0,0,0,0,0|2,0,0]=4 810 B16R0.221 CCC(O)COCCCCCCCCCCCl 34a_200000033068_100011218378 [2,0,0,0,0,0|2,0,0]=4 811 B16R0.221 CCC(O)COCCCCCCCCCCCl 7a_200000033068_100011218378 [2,0,0,0,0,0|2,0,0]=4 812 B16R0.221 CCC(O)COCCCCCCCCCCN 34a_100000066964_100011218378 [2,0,0,0,0,0|2,0,0]=4 813 B16R0.221 CCCCCCCC/C=C/COCC(O)CO 34a_200020667288_100011219619 [2,0,0,0,0,0|0,0,2]=4 814 B16R0.221 CCCCCCCC/C=C/COCC(O)CO 7a_200020667288_100011219619 [2,0,0,0,0,0|0,0,2]=4 815 B16R0.221 CCCCCCCC/C=C/COC[C@@H](O)CO 34a_200020667288_100009815848 [2,0,0,0,0,0|0,0,2]=4 816 B16R0.221 CCCCCCCC/C=C/COC[C@@H](O)CO 7a_200020667288_100009815848 [2,0,0,0,0,0|0,0,2]=4 817 B16R0.221 CCCCCCCCCCCCOC(C)CO 34a_100000210810_100012180447 [2,0,0,0,0,0|1,0,1]=4 818 B16R0.221 CCCCCCCCCCCCOC(C)CO 7a_100000210810_100012180447 [2,0,0,0,0,0|1,0,1]=4 819 B16R0.221 CCCCCCCCCCCNCC(C)CO 34a_100000744482_100011215454 [2,0,0,0,0,0|2,0,0]=4 820 B16R0.221 CCCCCCCCCCCNCC(O)CC 2230a_100011218483_100011215454 [2,0,0,0,0,0|2,0,0]=4 821 B16R0.221 CCCCCCCCCCCNCC(O)CC 2230a_200011215754_100011218378 [2,0,0,0,0,0|2,0,0]=4 822 B16R0.221 CCCCCCCCCCCNCC(O)CC 34a_200011215754_100011218378 [2,0,0,0,0,0|2,0,0]=4 823 B16R0.221 CCCCCCCCCCCNCC(O)CO 2230a_200011215754_100011219619 [2,0,0,0,0,0|1,0,0]=3 824 B16R0.221 CCCCCCCCCCCNCC(O)CO 34a_200011215754_100011219619 [2,0,0,0,0,0|1,0,0]=3 825 B16R0.221 CCCCCCCCCCCNC[C@@H](C)CO 2230a_200011215754_100000059175 [2,0,0,0,0,0|2,0,0]=4 826 B16R0.221 CCCCCCCCCCCNC[C@@H](C)CO 34a_200011215754_100000059175 [2,0,0,0,0,0|2,0,0]=4 827 B16R0.221 CCCCCCCCCCCNC[C@@H](F)CO 34a_100015665980_100011215454 [2,0,0,0,0,0|2,0,0]=4 828 B16R0.221 CCCCCCCCCCCNC[C@@H](O)CF 2230a_200011215754_100015614560 [2,0,0,0,0,0|2,0,0]=4 829 B16R0.221 CCCCCCCCCCCNC[C@@H](O)CF 34a_200011215754_100015614560 [2,0,0,0,0,0|2,0,0]=4 830 B16R0.221 CCCCCCCCCCCNC[C@@H](O)CO 2230a_200011215754_100009815848 [2,0,0,0,0,0|1,0,0]=3 831 B16R0.221 CCCCCCCCCCCNC[C@@H](O)CO 34a_200011215754_100009815848 [2,0,0,0,0,0|1,0,0]=3 832 B16R0.221 CCCCCCCCCCCNC[C@H](O)CO 2230a_100020644852_100011215454 [2,0,0,0,0,0|1,0,0]=3 833 B16R0.221 CCCCCCCCCCCOCC(C)CN 34a_100000744482_100011215454 [2,0,0,0,0,0|2,0,0]=4 834 B16R0.221 CCCCCCCCCCCOCC(O)CC 34a_100000210809_100011218378 [2,0,0,0,0,0|1,0,0]=3 835 B16R0.221 CCCCCCCCCCCOCC(O)CC 7a_100000210809_100011218378 [2,0,0,0,0,0|1,0,0]=3 836 B16R0.221 CCCCCCCCCCCOCC(O)CO 34a_100000210809_100011219619 [2,0,0,0,0,0|0,0,0]=2 837 B16R0.221 CCCCCCCCCCCOCC(O)CO 7a_100000210809_100011219619 [2,0,0,0,0,0|0,0,0]=2 838 B16R0.221 CCCCCCCCCCCOC[C@@H](C)CO 34a_100000210809_100000059175 [2,0,0,0,0,0|1,0,0]=3 839 B16R0.221 CCCCCCCCCCCOC[C@@H](C)CO 7a_100000210809_100000059175 [2,0,0,0,0,0|1,0,0]=3 840 B16R0.221 CCCCCCCCCCCOC[C@@H](O)CF 34a_100000210809_100015614560 [2,0,0,0,0,0|1,0,0]=3 841 B16R0.221 CCCCCCCCCCCOC[C@@H](O)CF 7a_100000210809_100015614560 [2,0,0,0,0,0|1,0,0]=3 842 B16R0.221 CCCCCCCCCCCOC[C@@H](O)CO 34a_100000210809_100009815848 [2,0,0,0,0,0|0,0,0]=2 843 B16R0.221 CCCCCCCCCCCOC[C@@H](O)CO 7a_100000210809_100009815848 [2,0,0,0,0,0|0,0,0]=2 844 B16R0.221 CCCCCCCCCCCOC[C@H](F)CN 34a_100015665980_100011215454 [2,0,0,0,0,0|2,0,0]=4 845 B16R0.221 CCCCCCCCCCCSCC(O)CO 62a_100011219619_100011215454 [2,0,0,0,0,0|0,1,0]=3 846 B16R0.221 CCCCCCCCCCCSC[C@@H](C)CO 62a_100000059175_100011215454 [2,0,0,0,0,0|1,1,0]=4 847 B16R0.221 CCCCCCCCCCCSC[C@@H](O)CF 62a_100015614560_100011215454 [2,0,0,0,0,0|1,1,0]=4 848 B16R0.221 CCCCCCCCCCCSC[C@@H](O)CO 62a_100009815848_100011215454 [2,0,0,0,0,0|0,1,0]=3 849 B16R0.221 C[C@@H](CO)COCCCCCCCCCCBr 34a_100009813290_100000059175 [2,0,0,0,0,0|2,0,0]=4 850 B16R0.221 C[C@@H](CO)COCCCCCCCCCCBr 7a_100009813290_100000059175 [2,0,0,0,0,0|2,0,0]=4 851 B16R0.221 C[C@@H](CO)COCCCCCCCCCCCl 34a_200000033068_100000059175 [2,0,0,0,0,0|2,0,0]=4 852 B16R0.221 C[C@@H](CO)COCCCCCCCCCCCl 7a_200000033068_100000059175 [2,0,0,0,0,0|2,0,0]=4 853 B16R0.221 C[C@@H](CO)COCCCCCCCCCCN 34a_100000066964_100000059175 [2,0,0,0,0,0|2,0,0]=4 854 B16R0.221 NCCCCCCCCCCOCC(O)CO 34a_100000066964_100011219619 [2,0,0,0,0,0|1,0,0]=3 855 B16R0.221 NCCCCCCCCCCOC[C@@H](O)CF 34a_100000066964_100015614560 [2,0,0,0,0,0|2,0,0]=4 856 B16R0.221 NCCCCCCCCCCOC[C@@H](O)CO 34a_100000066964_100009815848 [2,0,0,0,0,0|1,0,0]=3 857 B16R0.221 OCC(O)COCCCCCCCCCCBr 34a_100009813290_100011219619 [2,0,0,0,0,0|1,0,0]=3 858 B16R0.221 OCC(O)COCCCCCCCCCCBr 7a_100009813290_100011219619 [2,0,0,0,0,0|1,0,0]=3 859 B16R0.221 OCC(O)COCCCCCCCCCCCl 34a_200000033068_100011219619 [2,0,0,0,0,0|1,0,0]=3 860 B16R0.221 OCC(O)COCCCCCCCCCCCl 7a_200000033068_100011219619 [2,0,0,0,0,0|1,0,0]=3 861 B16R0.221 OCCCCCCCCCCNCC(O)CO 2230a_100000066964_100011219619 [2,0,0,0,0,0|2,0,0]=4 862 B16R0.221 OCCCCCCCCCCNCC(O)CO 34a_100000066964_100011219619 [2,0,0,0,0,0|2,0,0]=4 863 B16R0.221 OCCCCCCCCCCNC[C@@H](O)CO 2230a_100000066964_100009815848 [2,0,0,0,0,0|2,0,0]=4 864 B16R0.221 OCCCCCCCCCCNC[C@@H](O)CO 34a_100000066964_100009815848 [2,0,0,0,0,0|2,0,0]=4 865 B16R0.221 OCCCCCCCCCCNC[C@H](O)CO 2230a_100020644852_100009813290 [2,0,0,0,0,0|2,0,0]=4 866 B16R0.221 OCCCCCCCCCCSCC(O)CO 62a_100009813290_100011219619 [2,0,0,0,0,0|1,1,0]=4 867 B16R0.221 OCCCCCCCCCCSCC(O)CO 62a_100011219619_200000033068 [2,0,0,0,0,0|1,1,0]=4 868 B16R0.221 OCCCCCCCCCCSC[C@@H](O)CO 62a_100009813290_100009815848 [2,0,0,0,0,0|1,1,0]=4 869 B16R0.221 OCCCCCCCCCCSC[C@@H](O)CO 62a_100009815848_200000033068 [2,0,0,0,0,0|1,1,0]=4 870 B16R0.221 OC[C@H](O)COCCCCCCCCCCBr 34a_100009813290_100009815848 [2,0,0,0,0,0|1,0,0]=3 871 B16R0.221 OC[C@H](O)COCCCCCCCCCCBr 7a_100009813290_100009815848 [2,0,0,0,0,0|1,0,0]=3 872 B16R0.221 OC[C@H](O)COCCCCCCCCCCCl 34a_200000033068_100009815848 [2,0,0,0,0,0|1,0,0]=3 873 B16R0.221 OC[C@H](O)COCCCCCCCCCCCl 7a_200000033068_100009815848 [2,0,0,0,0,0|1,0,0]=3 874 B16R0.221 O[C@@H](CF)COCCCCCCCCCCBr 34a_100009813290_100015614560 [2,0,0,0,0,0|2,0,0]=4 875 B16R0.221 O[C@@H](CF)COCCCCCCCCCCBr 7a_100009813290_100015614560 [2,0,0,0,0,0|2,0,0]=4 876 B16R0.221 O[C@@H](CF)COCCCCCCCCCCCl 34a_200000033068_100015614560 [2,0,0,0,0,0|2,0,0]=4 877 B16R0.221 O[C@@H](CF)COCCCCCCCCCCCl 7a_200000033068_100015614560 [2,0,0,0,0,0|2,0,0]=4 878 B16R0.303 CCCCCCCCCCCC=NNCCO 4a_100000210001_100011218549 [2,0,0,0,0,0|2,0,0]=4 879 B16R0.303 CCCCCCCCCCCCNCCCO 2230a_100000210451_100000230001 [2,0,0,0,0,0|1,0,1]=4 880 B16R0.303 CCCCCCCCCCCCNCCCO 270004a_100000182051_100011218549 [2,0,0,0,0,0|1,0,1]=4 881 B16R0.303 CCCCCCCCCCCCNCCCO 34a_100000210451_100000230001 [2,0,0,0,0,0|1,0,1]=4 882 B16R0.303 CCCCCCCCCCCCOCCCN 34a_100000182051_100000759014 [2,0,0,0,0,0|1,0,1]=4 883 B16R0.303 CCCCCCCCCCCCOCCCO 34a_100000210810_100000230001 [2,0,0,0,0,0|0,0,1]=3 884 B16R0.303 CCCCCCCCCCCCOCCCO 7a_100000210810_100011215043 [2,0,0,0,0,0|0,0,1]=3 885 B16R0.303 CCCCCCCCCCCNCCCCO 2230a_100000750430_100011215454 [2,0,0,0,0,0|2,0,0]=4 886 B16R0.303 CCCCCCCCCCCNCCCCO 2230a_200011215754_100000210776 [2,0,0,0,0,0|2,0,0]=4 887 B16R0.303 CCCCCCCCCCCNCCCCO 34a_100000750430_100011215454 [2,0,0,0,0,0|2,0,0]=4 888 B16R0.303 CCCCCCCCCCCNCCCCO 34a_200011215754_100011216708 [2,0,0,0,0,0|2,0,0]=4 889 B16R0.303 CCCCCCCCCCCOCCCCO 34a_100000210809_100011216708 [2,0,0,0,0,0|2,0,0]=4 890 B16R0.303 CCCCCCCCCCCOCCCCO 7a_100000210809_100000210776 [2,0,0,0,0,0|2,0,0]=4 891 B16R0.303 CCCCCCCCNCCCOCCCO 2230a_100011310245_100000210759 [2,0,0,0,0,0|1,0,1]=4 892 B16R0.303 CCCCCCCCNCCCOCCCO 34a_100011310245_100000210759 [2,0,0,0,0,0|1,0,1]=4 893 B16R0.303 CCOCCCCCCCCCOCCCO 34a_100009875440_100000230001 [2,0,0,0,0,0|1,0,1]=4 894 B16R0.303 CCOCCCCCCCCCOCCCO 7a_100009875440_100011215043 [2,0,0,0,0,0|1,0,1]=4 895 B16R0.303 OCCCOCCCCCCCCCCCBr 34a_100009812471_100000230001 [2,0,0,0,0,0|1,0,1]=4 896 B16R0.303 OCCCOCCCCCCCCCCCBr 7a_100009812471_100011215043 [2,0,0,0,0,0|1,0,1]=4 897 B16R0.68 CCCCCCCCCCC(=O)CCCCO 1458a_100000210375_100000210776 [2,0,0,0,0,0|1,0,0]=3 898 B16R0.68 CCCCCCCCCCC(=O)CCCCO 1458a_100000695505_100000210319 [2,0,0,0,0,0|1,0,0]=3 899 B16R0.68 CCCCCCCCCCC(=O)COCCO 1458a_100000708028_100000210319 [2,0,0,0,0,0|2,0,0]=4 900 B16R0.68 CCCCCCCCCCC(=O)NCCCC 11a_100000102301_100000210375 [2,0,0,0,0,0|2,0,0]=4 901 B16R0.68 CCCCCCCCCCC(=O)NCCCC 1626a_100000102301_100000210375 [2,0,0,0,0,0|2,0,0]=4 902 B16R0.68 CCCCCCCCCCC(=O)NCCCC 240690a_100000102301_100000210375 [2,0,0,0,0,0|2,0,0]=4 903 B16R0.68 CCCCCCCCCCC(=O)NCCCF 11a_100015189416_100000210375 [2,0,0,0,0,0|2,0,0]=4 904 B16R0.68 CCCCCCCCCCC(=O)NCCCF 1626a_100015189416_100000210375 [2,0,0,0,0,0|2,0,0]=4 905 B16R0.68 CCCCCCCCCCC(=O)NCCCF 240690a_100015189416_100000210375 [2,0,0,0,0,0|2,0,0]=4 906 B16R0.68 CCCCCCCCCCC(=O)NCCCO 240690a_100000182051_100000210375 [2,0,0,0,0,0|1,0,0]=3 907 B16R0.68 CCCCCCCCCCC(=O)NNCCO 22a_100000210001_100000210375 [2,0,0,0,0,0|2,0,0]=4 908 B16R0.68 CCCCCCCCCCC(C)OCCCO 34a_100011215000_100000230001 [2,0,0,0,0,0|1,0,1]=4 909 B16R0.68 CCCCCCCCCCC(C)OCCCO 7a_100011215000_100011215043 [2,0,0,0,0,0|1,0,1]=4 910 B16R0.68 CCCCCCCCCNC(=O)CCCCO 1626a_100000212291_100000695505 [2,0,0,0,0,0|2,0,0]=4 911 B16R0.68 CCCCCCCCCNC(=O)NCCCO 2708a_100000212291_100000182051 [2,0,0,0,0,0|2,0,0]=4 912 B16R0.68 CCCCCCCCCNC(=O)NCCCO 273464a_100000182051_100000212291 [2,0,0,0,0,0|2,0,0]=4 913 B16R0.68 CCCCCCCCCNC(=O)NCCCO 273464a_100000212291_100000182051 [2,0,0,0,0,0|2,0,0]=4 914 B16R0.68 CCCCCCCCCNC(=O)NCCCO 512a_100000212291_100000182051 [2,0,0,0,0,0|2,0,0]=4 915 B16R0.68 CCCCCCCCNCC(=O)OCCCC 2230a_100000229939_100000211628 [2,0,0,0,0,0|2,0,0]=4 916 B16R0.68 CCCCCCCCNCC(=O)OCCCC 34a_100000229939_100000211628 [2,0,0,0,0,0|2,0,0]=4 917 B16R0.68 CCCCCCCCOCC(=O)CCCCO 1458a_100000759886_100000210776 [2,0,0,0,0,0|2,0,0]=4 918 B16R0.68 CCCCCCCCOCC(=O)NCCCO 240690a_100000182051_100000759886 [2,0,0,0,0,0|2,0,0]=4 919 B16R0.68 CCCCCCCCOCC(=O)NCCCO 527a_100000182051_100000759886 [2,0,0,0,0,0|2,0,0]=4 920 B16R0.68 CCCCCCCCOCC(=O)OCCCC 34a_100000210232_100000211628 [2,0,0,0,0,0|2,0,0]=4 921 B16R0.68 CCCCCCCCOCC(=O)OCCCC 7a_100000210232_100000211628 [2,0,0,0,0,0|2,0,0]=4 922 B16R0.68 CCCCCCCCSCC(=O)OCCCC 62a_100000210759_100000211628 [2,0,0,0,0,0|2,0,0]=4 923 B16R0.68 CCCCCCCCSCC(=O)OCCCC 62a_100000211628_100000210317 [2,0,0,0,0,0|2,0,0]=4 924 B16R0.68 O=C(CCCCCCCCCF)NCCCO 240690a_100000182051_200009909015 [2,0,0,0,0,0|2,0,0]=4 925 B16R0.68 O=C(CCCCCCCCCF)NCCCO 527a_100000182051_200009909015 [2,0,0,0,0,0|2,0,0]=4 926 B16R0.68 O=C(CCCCCCCCCO)NCCCO 240690a_100000182051_100000032657 [2,0,0,0,0,0|2,0,0]=4 927 B16R0.68 O=C(CCCCO)CCCCCCCCCF 1458a_200009909015_100000210776 [2,0,0,0,0,0|2,0,0]=4 928 B16R0.68 O=C(CCCCO)CCCCCCCCCO 1458a_100000695505_100009813782 [2,0,0,0,0,0|2,0,0]=4 929 B16R0.6606 CCCCCCCCCC(=O)NCC(C)CO 240690a_100000744482_100000210558 [2,0,0,0,0,0|2,0,0]=4 930 B16R0.6606 CCCCCCCCCC(=O)NCC(C)CO 527a_100000744482_100000210558 [2,0,0,0,0,0|2,0,0]=4 931 B16R0.6606 CCCCCCCCCC(=O)NCC(O)CC 11a_100011218483_100000210558 [2,0,0,0,0,0|2,0,0]=4 932 B16R0.6606 CCCCCCCCCC(=O)NCC(O)CC 240690a_100011218483_100000210558 [2,0,0,0,0,0|2,0,0]=4 933 B16R0.6606 CCCCCCCCCC(=O)NCC(O)CC 527a_100011218483_100000210558 [2,0,0,0,0,0|2,0,0]=4 934 B16R0.6606 CCCCCCCCCC(=O)NC[C@@H](F)CO 240690a_100015665980_100000210558 [2,0,0,0,0,0|2,0,0]=4 935 B16R0.6606 CCCCCCCCCC(=O)NC[C@@H](F)CO 527a_100015665980_100000210558 [2,0,0,0,0,0|2,0,0]=4 936 B16R0.6606 CCCCCCCCCC(=O)NC[C@H](O)CO 240690a_100020644852_100000210558 [2,0,0,0,0,0|1,0,0]=3 937 B16R0.6606 CCCCCCCCCC(=O)NC[C@H](O)CO 527a_100020644852_100000210558 [2,0,0,0,0,0|1,0,0]=3 938 B16R0.6606 CCCCCCCCCC(=O)OCC(=O)CO 1458a_100000210174_200010990708 [2,0,0,0,0,0|0,0,2]=4 939 B16R0.6606 CCCCCCCCCC(C)OCC(O)CO 34a_100011218016_100011219619 [2,0,0,0,0,0|1,0,1]=4 940 B16R0.6606 CCCCCCCCCC(C)OCC(O)CO 7a_100011218016_100011219619 [2,0,0,0,0,0|1,0,1]=4 941 B16R0.6606 CCCCCCCCCC(C)OC[C@@H](O)CO 34a_100011218016_100009815848 [2,0,0,0,0,0|1,0,1]=4 942 B16R0.6606 CCCCCCCCCC(C)OC[C@@H](O)CO 7a_100011218016_100009815848 [2,0,0,0,0,0|1,0,1]=4 943 B16R0.6606 CCCCCCCCNC(=O)NC[C@H](O)CO 2708a_100000229939_100020644852 [2,0,0,0,0,0|2,0,0]=4 944 B16R0.6606 CCCCCCCCNC(=O)NC[C@H](O)CO 273464a_100000229939_100020644852 [2,0,0,0,0,0|2,0,0]=4 945 B16R0.6606 CCCCCCCCNC(=O)NC[C@H](O)CO 273464a_100020644852_100000229939 [2,0,0,0,0,0|2,0,0]=4 946 B16R0.6606 CCCCCCCNCC(=O)NCC(O)CO 2230a_100000229938_200012027429 [2,0,0,0,0,0|2,0,0]=4 947 B16R0.6606 CCCCCCCOCC(=O)NCC(O)CO 34a_100000210272_200012027429 [2,0,0,0,0,0|2,0,0]=4 948 B16R0.6606 CCCCCCCOCC(=O)NCC(O)CO 7a_100000210272_200012027429 [2,0,0,0,0,0|2,0,0]=4 949 B16R0.6606 CCCCCCCSCC(=O)NCC(O)CO 62a_100000210614_200012027429 [2,0,0,0,0,0|2,0,0]=4 950 B16R0.6606 CCCCCCCSCC(=O)NCC(O)CO 62a_200012027429_100000210316 [2,0,0,0,0,0|2,0,0]=4 951 B16R0.6606 O=C(CCCCCCCCO)NC[C@H](O)CO 240690a_100020644852_100000015970 [2,0,0,0,0,0|2,0,0]=4 952 B18R0.6543 CC(O)CN(C)C(=O)CCCCCCCCCCO 240690a_100000227577_200000016029 [1,1,0,0,0,0|2,0,0]=4 953 B18R0.6543 CCCCCCCCCCCC(=O)N(C)CC(C)O 240690a_100000227577_100000210736 [1,1,0,0,0,0|1,0,0]=3 954 B18R0.6543 CCCCCCCCCCCC(=O)[C@@H](O)CC(C)C 1458a_100012027011_100011215454 [1,1,0,0,0,0|2,0,0]=4 955 B18R0.6543 CCCCCCCCCCNC(=O)N(C)CC(C)O 2708a_100000684558_100000227577 [1,1,0,0,0,0|2,0,0]=4 956 B18R0.7797 CC(C)(O)CNC(=O)CCCCCCCCCCO 240690a_100000751335_200000016029 [1,1,0,0,0,0|2,0,0]=4 957 B18R0.7797 CCCCCCCCCCCC(=O)NCC(C)(C)F 11a_100020643315_100000210736 [1,1,0,0,0,0|2,0,0]=4 958 B18R0.7797 CCCCCCCCCCCC(=O)NCC(C)(C)F 1626a_100020643315_100000210736 [1,1,0,0,0,0|2,0,0]=4 959 B18R0.7797 CCCCCCCCCCCC(=O)NCC(C)(C)F 240690a_100020643315_100000210736 [1,1,0,0,0,0|2,0,0]=4 960 B18R0.7797 CCCCCCCCCCCC(=O)NCC(C)(C)O 1626a_100000751335_100000210736 [1,1,0,0,0,0|1,0,0]=3 961 B18R0.7797 CCCCCCCCCCCC(=O)NCC(C)(C)O 240690a_100000751335_100000210736 [1,1,0,0,0,0|1,0,0]=3 962 B18R0.7797 CCCCCCCCCCCC(=O)NCC(C)(F)F 11a_100000731000_100000210736 [1,1,0,0,0,0|2,0,0]=4 963 B18R0.7797 CCCCCCCCCCCC(=O)NCC(C)(F)F 1626a_100000731000_100000210736 [1,1,0,0,0,0|2,0,0]=4 964 B18R0.7797 CCCCCCCCCCCC(=O)NCC(C)(F)F 240690a_100000731000_100000210736 [1,1,0,0,0,0|2,0,0]=4 965 B18R0.7797 CCCCCCCCCCNC(=O)NCC(C)(C)O 2708a_100000684558_100000751335 [1,1,0,0,0,0|2,0,0]=4 966 B18R0.7797 CCCCCCCCCCNC(=O)NCC(C)(C)O 273464a_100000684558_100000751335 [1,1,0,0,0,0|2,0,0]=4 967 B18R0.7797 CCCCCCCCCCNC(=O)NCC(C)(C)O 512a_100000684558_100000751335 [1,1,0,0,0,0|2,0,0]=4 968 B18R0.7797 CCCCCCCCCCNC(=O)NCC(C)(C)O 512a_100000751335_100000684558 [1,1,0,0,0,0|2,0,0]=4 969 B18R0.7797 CCCCCCCCCNCC(=O)OCC(C)(C)C 2230a_100000212291_200010402935 [1,1,0,0,0,0|2,0,0]=4 970 B18R0.7797 CCCCCCCCCNCC(=O)OCC(C)(C)C 34a_100000212291_200010402935 [1,1,0,0,0,0|2,0,0]=4 971 B18R0.7797 CCCCCCCCCOCC(=O)OCC(C)(C)C 34a_100000210712_200010402935 [1,1,0,0,0,0|2,0,0]=4 972 B18R0.7797 CCCCCCCCCOCC(=O)OCC(C)(C)C 7a_100000210712_200010402935 [1,1,0,0,0,0|2,0,0]=4 973 B18R0.11636 CCCCCCCCCC(O)CC(=O)NCC(C)C 1626a_100000210953_200012339438 [1,1,0,0,0,0|2,0,0]=4 974 B18R0.11636 CCCCCCCCCC(O)CC(=O)NCC(C)C 240690a_100000210953_200012339438 [1,1,0,0,0,0|2,0,0]=4 975 B18R0.11636 CCCCCCCCCC(O)CC(=O)NCC(C)O 240690a_100000210904_200012339438 [1,1,0,0,0,0|1,0,0]=3 976 B18R0.19183 CC(C)CCC(=O)CCCCCCCCCCCO 1458a_100000181311_100009812471 [1,1,0,0,0,0|2,0,0]=4 977 B18R0.19183 CC(C)CNC(=O)CCCCCCCCCCCO 240690a_100000210953_100000037981 [1,1,0,0,0,0|2,0,0]=4 978 B18R0.19183 CC(O)CNC(=O)CCCCCCCCCCCO 240690a_100000210904_100000037981 [1,1,0,0,0,0|1,0,0]=3 979 B18R0.19183 CC(O)CNC(=O)NCCCCCCCCCCO 2708a_100000066964_100000210904 [1,1,0,0,0,0|2,0,0]=4 980 B18R0.19183 CC(O)CNC(=O)NCCCCCCCCCCO 273464a_100000066964_100000210904 [1,1,0,0,0,0|2,0,0]=4 981 B18R0.19183 CC(O)CNC(=O)NCCCCCCCCCCO 273464a_100000210904_100000066964 [1,1,0,0,0,0|2,0,0]=4 982 B18R0.19183 CC(O)CNC(=O)NCCCCCCCCCCO 512a_100000066964_100000210904 [1,1,0,0,0,0|2,0,0]=4 983 B18R0.19183 CC(O)CNC(=O)NCCCCCCCCCCO 512a_100000210904_100000066964 [1,1,0,0,0,0|2,0,0]=4 984 B18R0.19183 CCCCCCCCCCC=CC(=O)NCC(C)O 11a_100000210904_100015291182 [1,1,0,0,0,0|1,0,1]=4 985 B18R0.19183 CCCCCCCCCCC=CC(=O)NCC(C)O 240690a_100000210904_100015291182 [1,1,0,0,0,0|1,0,1]=4 986 B18R0.19183 CCCCCCCCCCCCC(=O)NCC(C)O 11a_100000210904_100011215791 [1,1,0,0,0,0|1,0,0]=3 987 B18R0.19183 CCCCCCCCCCCCC(=O)NCC(C)O 240690a_100000210904_100011215791 [1,1,0,0,0,0|1,0,0]=3 988 B18R0.19183 CCCCCCCCCCCNC(=O)CCC(C)O 1626a_200011215754_100000718519 [1,1,0,0,0,0|1,0,0]=3 989 B18R0.19183 CCCCCCCCCCCNC(=O)NCC(C)C 2708a_100000210953_200011215754 [1,1,0,0,0,0|2,0,0]=4 990 B18R0.19183 CCCCCCCCCCCNC(=O)NCC(C)C 2708a_200011215754_100000210953 [1,1,0,0,0,0|2,0,0]=4 991 B18R0.19183 CCCCCCCCCCCNC(=O)NCC(C)C 273464a_100000210953_200011215754 [1,1,0,0,0,0|2,0,0]=4 992 B18R0.19183 CCCCCCCCCCCNC(=O)NCC(C)C 273464a_200011215754_100000210953 [1,1,0,0,0,0|2,0,0]=4 993 B18R0.19183 CCCCCCCCCCCNC(=O)NCC(C)C 512a_100000210953_200011215754 [1,1,0,0,0,0|2,0,0]=4 994 B18R0.19183 CCCCCCCCCCCNC(=O)NCC(C)C 512a_200011215754_100000210953 [1,1,0,0,0,0|2,0,0]=4 995 B18R0.19183 CCCCCCCCCCCNC(=O)NCC(C)O 2708a_200011215754_100000210904 [1,1,0,0,0,0|1,0,0]=3 996 B18R0.19183 CCCCCCCCCCCNC(=O)NCC(C)O 273464a_100000210904_200011215754 [1,1,0,0,0,0|1,0,0]=3 997 B18R0.19183 CCCCCCCCCCCNC(=O)NCC(C)O 273464a_200011215754_100000210904 [1,1,0,0,0,0|1,0,0]=3 998 B18R0.19183 CCCCCCCCCCCNC(=O)NCC(C)O 512a_100000210904_200011215754 [1,1,0,0,0,0|1,0,0]=3 999 B18R0.19183 CCCCCCCCCCCNC(=O)NCC(C)O 512a_200011215754_100000210904 [1,1,0,0,0,0|1,0,0]=3 1000 B18R0.19183 CCCCCCCCCCNCC(=O)NCC(C)C 2230a_100000684558_100000183291 [1,1,0,0,0,0|2,0,0]=4 1001 B18R0.19183 CCCCCCCCCCNCC(=O)NCC(C)C 34a_100000684558_100000183291 [1,1,0,0,0,0|2,0,0]=4 1002 B18R0.19183 CCCCCCCCCCOCC(=O)NCC(C)C 34a_100000210711_100000183291 [1,1,0,0,0,0|2,0,0]=4 1003 B18R0.19183 CCCCCCCCCCOCC(=O)NCC(C)C 7a_100000210711_100000183291 [1,1,0,0,0,0|2,0,0]=4 1004 B18R0.19183 CCCCCCCCCCSCC(=O)NCC(C)C 62a_100000183291_100000210320 [1,1,0,0,0,0|2,0,0]=4 1005 B18R0.19183 CCCCCCCCNCCCC(=O)NCC(C)C 2230a_100000229939_100011194448 [1,1,0,0,0,0|2,0,0]=4 1006 B18R0.19183 CCCCCCCCNCCCC(=O)NCC(C)C 34a_100000229939_100011194448 [1,1,0,0,0,0|2,0,0]=4 1007 B18R0.19183 CCCCCCCCOCCCC(=O)NCC(C)C 34a_100000210232_100011194448 [1,1,0,0,0,0|2,0,0]=4 1008 B18R0.19183 CCCCCCCCOCCCC(=O)NCC(C)C 7a_100000210232_100011194448 [1,1,0,0,0,0|2,0,0]=4 1009 B18R0.19183 CCCCCCCCSCCCC(=O)NCC(C)C 62a_100000210759_100011194448 [1,1,0,0,0,0|2,0,0]=4 1010 B18R0.19183 CCCCCCCCSCCCC(=O)NCC(C)C 62a_100011194448_100000210317 [1,1,0,0,0,0|2,0,0]=4 1011 B18R0.20350 CCCCCCCCCCN(C)C(=O)CCC(C)O 1626a_100000207566_100000718519 [1,1,0,0,0,0|2,0,0]=4 1012 B18R0.20350 CCCCCCCCCCN(C)C(=O)NCC(C)O 273464a_100000210904_100000207566 [1,1,0,0,0,0|2,0,0]=4 1013 B18R0.110 CCCCCCCCCCCCOC[C@@H](O)CC#N 7a_100000210810_100000001066 [1,1,0,0,0,0|1,0,1]=4 1014 B18R0.171 CCCCCCCCCC/C=C/COCC(O)CC 34a_200025761149_100011218378 [1,1,0,0,0,0|1,0,1]=4 1015 B18R0.171 CCCCCCCCCC/C=C/COCC(O)CC 7a_200025761149_100011218378 [1,1,0,0,0,0|1,0,1]=4 1016 B18R0.171 CCCCCCCCCC/C=C/COCC(O)CO 34a_200025761149_100011219619 [1,1,0,0,0,0|0,0,1]=3 1017 B18R0.171 CCCCCCCCCC/C=C/COCC(O)CO 7a_200025761149_100011219619 [1,1,0,0,0,0|0,0,1]=3 1018 B18R0.171 CCCCCCCCCC/C=C/COC[C@@H](C)CO 34a_200025761149_100000059175 [1,1,0,0,0,0|1,0,1]=4 1019 B18R0.171 CCCCCCCCCC/C=C/COC[C@@H](C)CO 7a_200025761149_100000059175 [1,1,0,0,0,0|1,0,1]=4 1020 B18R0.171 CCCCCCCCCC/C=C/COC[C@@H](O)CF 34a_200025761149_100015614560 [1,1,0,0,0,0|1,0,1]=4 1021 B18R0.171 CCCCCCCCCC/C=C/COC[C@@H](O)CF 7a_200025761149_100015614560 [1,1,0,0,0,0|1,0,1]=4 1022 B18R0.171 CCCCCCCCCC/C=C/COC[C@@H](O)CO 34a_200025761149_100009815848 [1,1,0,0,0,0|0,0,1]=3 1023 B18R0.171 CCCCCCCCCC/C=C/COC[C@@H](O)CO 7a_200025761149_100009815848 [1,1,0,0,0,0|0,0,1]=3 1024 B18R0.171 CCCCCCCCCCCC=NNCC(O)CC 4a_100015206393_100011218549 [1,1,0,0,0,0|2,0,0]=4 1025 B18R0.175 CCCCCCCCCCCCN(C)CC(O)CO 2230a_100000227908_100011219619 [1,1,0,0,0,0|1,0,1]=4 1026 B18R0.175 CCCCCCCCCCCCN(C)CC(O)CO 2230a_100003720211_200000210301 [1,1,0,0,0,0|1,0,1]=4 1027 B18R0.175 CCCCCCCCCCCCN(C)CC(O)CO 2230a_100011216503_100011215052 [1,1,0,0,0,0|1,0,1]=4 1028 B18R0.175 CCCCCCCCCCCCN(C)CC(O)CO 269982a_100003720211_200000210301 [1,1,0,0,0,0|1,0,1]=4 1029 B18R0.175 CCCCCCCCCCCCN(C)CC(O)CO 269982a_100011216503_100000759014 [1,1,0,0,0,0|1,0,1]=4 1030 B18R0.175 CCCCCCCCCCCCN(C)CC(O)CO 270004a_100011216503_100011218549 [1,1,0,0,0,0|1,0,1]=4 1031 B18R0.175 CCCCCCCCCCCCN(C)CC(O)CO 34a_100003720211_200000210301 [1,1,0,0,0,0|1,0,1]=4 1032 B18R0.175 CCCCCCCCCCCCN(C)C[C@@H](O)CO 2230a_100000227908_100009815848 [1,1,0,0,0,0|1,0,1]=4 1033 B18R0.175 CCCCCCCCCCCCN([13CH3])CC(O)CO 2230a_100003720211_200025704644 [1,1,0,0,0,0|1,0,1]=4 1034 B18R0.175 CCCCCCCCCCCCN([13CH3])CC(O)CO 269982a_100003720211_200025704644 [1,1,0,0,0,0|1,0,1]=4 1035 B18R0.175 CCCCCCCCCCCCN([13CH3])CC(O)CO 34a_100003720211_200025704644 [1,1,0,0,0,0|1,0,1]=4 1036 B18R0.19358 CCCCCCCCCCCCOCC(C)(C)CO 34a_100000210810_100009813988 [1,1,0,0,0,0|1,0,1]=4 1037 B18R0.19358 CCCCCCCCCCCCOCC(C)(C)CO 7a_100000210810_100009813988 [1,1,0,0,0,0|1,0,1]=4 1038 B18R0.45 CCCCCCCCCCCC(=O)N[C@H](C)CCO 240690a_100000706166_100000210736 [1,1,0,0,0,0|1,0,0]=3 1039 B18R0.45 CCCCCCCCCCNC(=O)N[C@H](C)CCO 2708a_100000684558_100000706166 [1,1,0,0,0,0|2,0,0]=4 1040 B18R0.45 CCCCCCCCCCNC(=O)N[C@H](C)CCO 273464a_100000706166_100000684558 [1,1,0,0,0,0|2,0,0]=4 1041 B18R0.45 CCCCCCCCCCNC(=O)N[C@H](C)CCO 512a_100000684558_100000706166 [1,1,0,0,0,0|2,0,0]=4 1042 B18R0.45 CCCCCCCCCCNC(=O)N[C@H](C)CCO 512a_100000706166_100000684558 [1,1,0,0,0,0|2,0,0]=4 1043 B18R0.45 C[C@H](CCO)NC(=O)CCCCCCCCCCO 240690a_100000706166_200000016029 [1,1,0,0,0,0|2,0,0]=4 1044 B18R0.233 CC(O)CCNC(=O)CCCCCCCCCCO 240690a_200000755665_200000016029 [1,1,0,0,0,0|2,0,0]=4 1045 B18R0.233 CCCCCCCCCCCC(=O)NCCC(C)O 240690a_200000755665_100000210736 [1,1,0,0,0,0|1,0,0]=3 1046 B18R0.233 CCCCCCCCCCCC(=O)NNCC(C)O 22a_200000730056_100000210736 [1,1,0,0,0,0|2,0,0]=4 1047 B18R0.233 CCCCCCCCCCCC(=O)OCCC(=O)C 1458a_100000070787_100000091854 [1,1,0,0,0,0|0,0,2]=4 1048 B18R0.233 CCCCCCCCCCCC(=O)OCCN(C)C 2230a_100102631434_100000091854 [1,1,0,0,0,0|2,0,0]=4 1049 B18R0.233 CCCCCCCCCCCC(=O)OCCN(C)C 269982a_100102631434_100000091854 [1,1,0,0,0,0|2,0,0]=4 1050 B18R0.233 CCCCCCCCCCCC(=O)OCNC(C)C 2230a_100138425928_100020644155 [1,1,0,0,0,0|2,0,0]=4 1051 B18R0.233 CCCCCCCCCCCC(=O)OCNC(C)C 34a_100138425928_100020644155 [1,1,0,0,0,0|2,0,0]=4 1052 B18R0.233 CCCCCCCCCCCC(=O)OCOC(C)C 34a_100000212225_100020644155 [1,1,0,0,0,0|2,0,0]=4 1053 B18R0.233 CCCCCCCCCCNC(=O)CCCC(C)O 1626a_100000684558_100000761597 [1,1,0,0,0,0|2,0,0]=4 1054 B18R0.233 CCCCCCCCCCNC(=O)CCCC(C)O 527a_100000684558_100000761597 [1,1,0,0,0,0|2,0,0]=4 1055 B18R0.233 CCCCCCCCCCNC(=O)NCCC(C)O 2708a_100000684558_200000755665 [1,1,0,0,0,0|2,0,0]=4 1056 B18R0.233 CCCCCCCCCCNC(=O)NCCC(C)O 273464a_200000755665_100000684558 [1,1,0,0,0,0|2,0,0]=4 1057 B18R0.233 CCCCCCCCCCNC(=O)NCCC(C)O 512a_100000684558_200000755665 [1,1,0,0,0,0|2,0,0]=4 1058 B18R0.233 CCCCCCCCCCNC(=O)NCCC(C)O 512a_200000755665_100000684558 [1,1,0,0,0,0|2,0,0]=4 1059 B18R0.3137 CCCCOC(=O)COCCCCCCCC(C)C 34a_200000210741_100000211628 [1,1,0,0,0,0|2,0,0]=4 1060 B18R0.3137 CCCCOC(=O)COCCCCCCCC(C)C 7a_200000210741_100000211628 [1,1,0,0,0,0|2,0,0]=4 1061 B18R0.7792 C#CCCCNC(=O)CCCCCCCCCCC 11a_100000718082_100000210736 [1,1,0,0,0,0|2,0,0]=4 1062 B18R0.7792 C#CCCCNC(=O)CCCCCCCCCCC 1626a_100000718082_100000210736 [1,1,0,0,0,0|2,0,0]=4 1063 B18R0.7792 C#CCCCNC(=O)CCCCCCCCCCC 240690a_100000718082_100000210736 [1,1,0,0,0,0|2,0,0]=4 1064 B18R0.7792 C#CCNCOC(=O)CCCCCCCCCCC 34a_100000212058_100020644155 [1,1,0,0,0,0|1,0,1]=4 1065 B18R0.7792 C#CCOCOC(=O)CCCCCCCCCCC 34a_100000210247_100020644155 [1,1,0,0,0,0|1,0,1]=4 1066 B18R0.7792 C#CCSCOC(=O)CCCCCCCCCCC 62a_100000038162_100020644155 [1,1,0,0,0,0|1,0,1]=4 1067 B18R0.7792 C=CCCCNC(=O)CCCCCCCCCCC 11a_100000700776_100000210736 [1,1,0,0,0,0|2,0,0]=4 1068 B18R0.7792 C=CCCCNC(=O)CCCCCCCCCCC 1626a_100000700776_100000210736 [1,1,0,0,0,0|2,0,0]=4 1069 B18R0.7792 C=CCCCNC(=O)CCCCCCCCCCC 240690a_100000700776_100000210736 [1,1,0,0,0,0|2,0,0]=4 1070 B18R0.7792 C=CCNCOC(=O)CCCCCCCCCCC 2230a_100020586998_100020644155 [1,1,0,0,0,0|1,0,1]=4 1071 B18R0.7792 C=CCOCOC(=O)CCCCCCCCCCC 34a_200000210373_100020644155 [1,1,0,0,0,0|1,0,1]=4 1072 B18R0.7792 CCCCCCCCCCCC(=O)NCCCCO 240690a_100000750430_100000210736 [1,1,0,0,0,0|1,0,0]=3 1073 B18R0.7792 CCCCCCCCCCCC(=O)NCCCOC 1626a_100150723488_100000210736 [1,1,0,0,0,0|1,0,0]=3 1074 B18R0.7792 CCCCCCCCCCCC(=O)NCCCOC 240690a_100150723488_100000210736 [1,1,0,0,0,0|1,0,0]=3 1075 B18R0.7792 CCCCCCCCCCCC(=O)NCCCSC 11a_100000749238_100000210736 [1,1,0,0,0,0|1,1,0]=4 1076 B18R0.7792 CCCCCCCCCCCC(=O)NCCCSC 1626a_100000749238_100000210736 [1,1,0,0,0,0|1,1,0]=4 1077 B18R0.7792 CCCCCCCCCCCC(=O)NCCCSC 240690a_100000749238_100000210736 [1,1,0,0,0,0|1,1,0]=4 1078 B18R0.7792 CCCCCCCCCCCC(=O)NCCOCC 11a_100011200944_100000210736 [1,1,0,0,0,0|2,0,0]=4 1079 B18R0.7792 CCCCCCCCCCCC(=O)NCCOCC 1626a_102516460346_100000210736 [1,1,0,0,0,0|2,0,0]=4 1080 B18R0.7792 CCCCCCCCCCCC(=O)NCCOCC 240690a_100011200944_100000210736 [1,1,0,0,0,0|2,0,0]=4 1081 B18R0.7792 CCCCCCCCCCCC(=O)NCCOCC 34a_100007860320_100000210202 [1,1,0,0,0,0|2,0,0]=4 1082 B18R0.7792 CCCCCCCCCCCC(=O)NCCOCC 7a_100007860320_100000210202 [1,1,0,0,0,0|2,0,0]=4 1083 B18R0.7792 CCCCCCCCCCCC(=O)NCCOCF 34a_100007860320_100015361967 [1,1,0,0,0,0|2,0,0]=4 1084 B18R0.7792 CCCCCCCCCCCC(=O)NCCOCF 7a_100007860320_100015361967 [1,1,0,0,0,0|2,0,0]=4 1085 B18R0.7792 CCCCCCCCCCCC(=O)NCCSCC 11a_100000106463_100000210736 [1,1,0,0,0,0|2,0,0]=4 1086 B18R0.7792 CCCCCCCCCCCC(=O)NCCSCC 1626a_100000106463_100000210736 [1,1,0,0,0,0|2,0,0]=4 1087 B18R0.7792 CCCCCCCCCCCC(=O)NCCSCC 240690a_100000106463_100000210736 [1,1,0,0,0,0|2,0,0]=4 1088 B18R0.7792 CCCCCCCCCCCC(=O)NNCCCC 22a_100025702795_100000210736 [1,1,0,0,0,0|2,0,0]=4 1089 B18R0.7792 CCCCCCCCCCCC(=O)NNCCOC 22a_100000741390_100000210736 [1,1,0,0,0,0|2,0,0]=4 1090 B18R0.7792 CCCCCCCCCCCC(=O)OCCNCC 2230a_100015525214_100000091854 [1,1,0,0,0,0|1,0,0]=3 1091 B18R0.7792 CCCCCCCCCCCC(=O)OCCOCC 34a_100121572206_100000091854 [1,1,0,0,0,0|1,0,0]=3 1092 B18R0.7792 CCCCCCCCCCCC(=O)OCNCCF 34a_100000724931_100020644155 [1,1,0,0,0,0|1,0,0]=3 1093 B18R0.7792 CCCCCCCCCCCC(=O)OCNCCO 2230a_100016997473_100020644155 [1,1,0,0,0,0|0,0,0]=2 1094 B18R0.7792 CCCCCCCCCCCC(=O)OCNCCO 34a_100016990907_100020644155 [1,1,0,0,0,0|0,0,0]=2 1095 B18R0.7792 CCCCCCCCCCCC(=O)OCOCCBr 34a_100000211926_100020644155 [1,1,0,0,0,0|1,0,0]=3 1096 B18R0.7792 CCCCCCCCCCCC(=O)OCOCCC 34a_100000210258_100020644155 [1,1,0,0,0,0|1,0,0]=3 1097 B18R0.7792 CCCCCCCCCCCC(=O)OCOCCN 34a_100000210304_100020644155 [1,1,0,0,0,0|1,0,0]=3 1098 B18R0.7792 CCCCCCCCCCCC(=O)OCSCC#N 62a_100011215382_100020644155 [1,1,0,0,0,0|1,0,1]=4 1099 B18R0.7792 CCCCCCCCCCCC(=O)OCSCC=O 62a_200015260668_100020644155 [1,1,0,0,0,0|0,0,2]=4 1100 B18R0.7792 CCCCCCCCCCCC(=O)OCSCCO 62a_100000211926_100020644155 [1,1,0,0,0,0|0,0,0]=2 1101 B18R0.7792 CCCCCCCCCCCC(=O)OCSCOC 62a_100000766300_100020644155 [1,1,0,0,0,0|1,0,0]=3 1102 B18R0.7792 CCCCCCCCCCNC(=O)CCCCCO 240690a_100000684558_100102619762 [1,1,0,0,0,0|2,0,0]=4 1103 B18R0.7792 CCCCCCCCCCNC(=O)CCOCCO 1626a_100000684558_100011229844 [1,1,0,0,0,0|2,0,0]=4 1104 B18R0.7792 CCCCCCCCCCNC(=O)CCOCCO 240690a_100000684558_100011229844 [1,1,0,0,0,0|2,0,0]=4 1105 B18R0.7792 CCCCCCCCCCNC(=O)COCCCC 11a_100000684558_100000757543 [1,1,0,0,0,0|2,0,0]=4 1106 B18R0.7792 CCCCCCCCCCNC(=O)COCCCC 1626a_100000684558_100000757543 [1,1,0,0,0,0|2,0,0]=4 1107 B18R0.7792 CCCCCCCCCCNC(=O)COCCCC 240690a_100000684558_100000757543 [1,1,0,0,0,0|2,0,0]=4 1108 B18R0.7792 CCCCCCCCCCNC(=O)COCCCC 527a_100000684558_100000757543 [1,1,0,0,0,0|2,0,0]=4 1109 B18R0.7792 CCCCCCCCCCNC(=O)NCCCCO 2708a_100000684558_100000750430 [1,1,0,0,0,0|2,0,0]=4 1110 B18R0.7792 CCCCCCCCCCNC(=O)NCCCCO 2708a_100000750430_100000684558 [1,1,0,0,0,0|2,0,0]=4 1111 B18R0.7792 CCCCCCCCCCNC(=O)NCCCCO 273464a_100000684558_100000750430 [1,1,0,0,0,0|2,0,0]=4 1112 B18R0.7792 CCCCCCCCCCNC(=O)NCCCCO 273464a_100000750430_100000684558 [1,1,0,0,0,0|2,0,0]=4 1113 B18R0.7792 CCCCCCCCCCNC(=O)NCCCCO 512a_100000684558_100000750430 [1,1,0,0,0,0|2,0,0]=4 1114 B18R0.7792 CCCCCCCCCCNC(=O)NCCCCO 512a_100000750430_100000684558 [1,1,0,0,0,0|2,0,0]=4 1115 B18R0.7792 CCCCCCCCCCNC(=O)NCCCOC 2708a_100000684558_100150723488 [1,1,0,0,0,0|2,0,0]=4 1116 B18R0.7792 CCCCCCCCCCNC(=O)NCCCOC 2708a_100150723488_100000684558 [1,1,0,0,0,0|2,0,0]=4 1117 B18R0.7792 CCCCCCCCCCNC(=O)NCCCOC 273464a_100000684558_100150723488 [1,1,0,0,0,0|2,0,0]=4 1118 B18R0.7792 CCCCCCCCCCNC(=O)NCCCOC 273464a_100150723488_100000684558 [1,1,0,0,0,0|2,0,0]=4 1119 B18R0.7792 CCCCCCCCCCNC(=O)NCCCOC 512a_100000684558_100150723488 [1,1,0,0,0,0|2,0,0]=4 1120 B18R0.7792 CCCCCCCCCCOC(=O)COCCCBr 34a_100011217188_100000210668 [1,1,0,0,0,0|2,0,0]=4 1121 B18R0.7792 CCCCCCCCCCOC(=O)COCCCC 34a_100000210227_100000210668 [1,1,0,0,0,0|2,0,0]=4 1122 B18R0.7792 CCCCCCCCCCOC(=O)COCCCC 7a_100000210227_100000210668 [1,1,0,0,0,0|2,0,0]=4 1123 B18R0.7792 CCCCCCCCCCOC(=O)COCCCCl 34a_100000230001_100000210668 [1,1,0,0,0,0|2,0,0]=4 1124 B18R0.7792 CCCCCCCCCCOC(=O)COCCCF 34a_100000759539_100000210668 [1,1,0,0,0,0|2,0,0]=4 1125 B18R0.7792 CCCCCCCCCCOC(=O)COCCCN 34a_100000182051_100000210668 [1,1,0,0,0,0|2,0,0]=4 1126 B18R0.7792 CCCCCCCCCCOC(=O)CSCCCO 62a_100000680656_100011215043 [1,1,0,0,0,0|1,1,0]=4 1127 B18R0.7792 CCCCCCCCCCOC(=O)CSCCCO 62a_100011215043_100000680656 [1,1,0,0,0,0|1,1,0]=4 1128 B18R0.7792 CCCCCCCCCNCC(=O)NCCCOC 2230a_100000212291_100000183178 [1,1,0,0,0,0|2,0,0]=4 1129 B18R0.7792 CCCCCCCCCNCC(=O)NCCCOC 34a_100000212291_100000183178 [1,1,0,0,0,0|2,0,0]=4 1130 B18R0.7792 CCCCCCCCCNCC(=O)OCCOCC 2230a_100000212291_200000101388 [1,1,0,0,0,0|2,0,0]=4 1131 B18R0.7792 CCCCCCCCCNCC(=O)OCCOCC 34a_100000212291_200000101388 [1,1,0,0,0,0|2,0,0]=4 1132 B18R0.7792 CCCCCCCCCOCC(=O)NCCCOC 34a_100000210712_100000183178 [1,1,0,0,0,0|2,0,0]=4 1133 B18R0.7792 CCCCCCCCCOCC(=O)NCCCOC 7a_100000210712_100000183178 [1,1,0,0,0,0|2,0,0]=4 1134 B18R0.7792 CCCCCCCCCOCC(=O)OCCOCC 34a_100000210712_200000101388 [1,1,0,0,0,0|2,0,0]=4 1135 B18R0.7792 CCCCCCCCCOCC(=O)OCCOCC 7a_100000210712_200000101388 [1,1,0,0,0,0|2,0,0]=4 1136 B18R0.7792 CCCCCCCCCSCC(=O)NCCCOC 62a_100000183178_100000210670 [1,1,0,0,0,0|2,0,0]=4 1137 B18R0.7792 CCCCCCCCCSCC(=O)OCCOCC 62a_200000101388_100000210670 [1,1,0,0,0,0|2,0,0]=4 1138 B18R0.7792 COCCCNC(=O)CCCCCCCCCCO 240690a_100150723488_200000016029 [1,1,0,0,0,0|2,0,0]=4 1139 B18R0.7792 O=C(CCCCCCCCCCO)NCCCCO 240690a_100000750430_200000016029 [1,1,0,0,0,0|2,0,0]=4 1140 B18R0.7796 CCCCCCCCCCCC(=O)N(C)CCCO 240690a_100000213112_100000210736 [1,1,0,0,0,0|1,0,0]=3 1141 B18R0.7796 CCCCCCCCCCNC(=O)N(C)CCCO 2708a_100000684558_100000213112 [1,1,0,0,0,0|2,0,0]=4 1142 B18R0.7796 CCCCCCCCCCNC(=O)N(C)CCCO 273464a_100000684558_100000213112 [1,1,0,0,0,0|2,0,0]=4 1143 B18R0.7796 CN(CCCO)C(=O)CCCCCCCCCCO 240690a_100000213112_200000016029 [1,1,0,0,0,0|2,0,0]=4 1144 B18R0.11006 CCCCCCCCCCN(C)C(=O)CCCCO 1626a_100000207566_100000695505 [1,1,0,0,0,0|2,0,0]=4 1145 B18R0.11006 CCCCCCCCCCN(C)C(=O)NCCCO 273464a_100000182051_100000207566 [1,1,0,0,0,0|2,0,0]=4 1146 B18R0.11006 CCCCCCCCCNC(C)C(=O)OCCCC 2230a_100000212291_100000759602 [1,1,0,0,0,0|2,0,0]=4 1147 B18R0.11006 CCCCCCCCCNC(C)C(=O)OCCCC 34a_100000212291_100000759602 [1,1,0,0,0,0|2,0,0]=4 1148 B18R0.11006 CCCCCCCCCOC(C)C(=O)OCCCC 34a_100000038973_100011214924 [1,1,0,0,0,0|2,0,0]=4 1149 B18R0.11006 CCCCCCCCCOC(C)C(=O)OCCCC 34a_100000210712_100000759602 [1,1,0,0,0,0|2,0,0]=4 1150 B18R0.11006 CCCCCCCCCOC(C)C(=O)OCCCC 7a_100000038973_100000210328 [1,1,0,0,0,0|2,0,0]=4 1151 B18R0.11006 CCCCCCCCCOC(C)C(=O)OCCCC 7a_100000210712_100000759602 [1,1,0,0,0,0|2,0,0]=4 1152 B18R0.13118 CCCCOC(=O)COCCCCC(C)CCCC 34a_200011021034_100000211628 [1,1,0,0,0,0|2,0,0]=4 1153 B18R0.13118 CCCCOC(=O)COCCCCC(C)CCCC 7a_200011021034_100000211628 [1,1,0,0,0,0|2,0,0]=4 1154 B18R0.19321 CCCCCCCCCC(=O)CC(=O)OCCCC 1458a_100000210558_100000211628 [1,1,0,0,0,0|1,0,1]=4 1155 B18R0.19321 CCCCCCCCCC(O)CC(=O)NCCCC 1626a_100000102301_200012339438 [1,1,0,0,0,0|2,0,0]=4 1156 B18R0.19321 CCCCCCCCCC(O)CC(=O)NCCCC 240690a_100000102301_200012339438 [1,1,0,0,0,0|2,0,0]=4 1157 B18R0.19321 CCCCCCCCCC(O)CC(=O)NCCCF 1626a_100015189416_200012339438 [1,1,0,0,0,0|2,0,0]=4 1158 B18R0.19321 CCCCCCCCCC(O)CC(=O)NCCCF 240690a_100015189416_200012339438 [1,1,0,0,0,0|2,0,0]=4 1159 B18R0.19321 CCCCCCCCCC(O)CC(=O)NCCCO 240690a_100000182051_200012339438 [1,1,0,0,0,0|1,0,0]=3 1160 B18R0.19321 CCCCCCCCCC(O)CC(=O)NNCCO 22a_100000210001_200012339438 [1,1,0,0,0,0|2,0,0]=4 1161 B18R0.19321 CCCCCCCCCN(C)CC(=O)OCCCC 2230a_100000232482_100000211628 [1,1,0,0,0,0|2,0,0]=4 1162 B18R0.19321 CCCCCCCCCN(C)CC(=O)OCCCC 269982a_100000232482_100000211628 [1,1,0,0,0,0|2,0,0]=4 1163 B18R0.19788 CCCCC#CCCCCCCC(=O)CCCCO 1458a_100000695505_200000043322 [1,1,0,0,0,0|1,0,1]=4 1164 B18R0.19788 CCCCCCCCCCC=CC(=O)NCCCO 240690a_100000182051_100015291182 [1,1,0,0,0,0|1,0,1]=4 1165 B18R0.19788 CCCCCCCCCCCCC(=O)NCCCF 11a_100015189416_100011215791 [1,1,0,0,0,0|2,0,0]=4 1166 B18R0.19788 CCCCCCCCCCCCC(=O)NCCCF 1626a_100015189416_100011215791 [1,1,0,0,0,0|2,0,0]=4 1167 B18R0.19788 CCCCCCCCCCCCC(=O)NCCCF 240690a_100015189416_100011215791 [1,1,0,0,0,0|2,0,0]=4 1168 B18R0.19788 CCCCCCCCCCCCC(=O)NCCCO 240690a_100000182051_100011215791 [1,1,0,0,0,0|1,0,0]=3 1169 B18R0.19788 CCCCCCCCCCCCC(=O)NNCCO 22a_100000210001_100011215791 [1,1,0,0,0,0|2,0,0]=4 1170 B18R0.19788 CCCCCCCCCCCNC(=O)CCCCO 1626a_200011215754_100000695505 [1,1,0,0,0,0|1,0,0]=3 1171 B18R0.19788 CCCCCCCCCCCNC(=O)COCCO 1626a_200011215754_100000708028 [1,1,0,0,0,0|2,0,0]=4 1172 B18R0.19788 CCCCCCCCCCCNC(=O)COCCO 240690a_200011215754_100000708028 [1,1,0,0,0,0|2,0,0]=4 1173 B18R0.19788 CCCCCCCCCCCNC(=O)NCCCC 2708a_100000102301_200011215754 [1,1,0,0,0,0|2,0,0]=4 1174 B18R0.19788 CCCCCCCCCCCNC(=O)NCCCC 2708a_200011215754_100000102301 [1,1,0,0,0,0|2,0,0]=4 1175 B18R0.19788 CCCCCCCCCCCNC(=O)NCCCC 273464a_100000102301_200011215754 [1,1,0,0,0,0|2,0,0]=4 1176 B18R0.19788 CCCCCCCCCCCNC(=O)NCCCC 273464a_200011215754_100000102301 [1,1,0,0,0,0|2,0,0]=4 1177 B18R0.19788 CCCCCCCCCCCNC(=O)NCCCC 512a_100000102301_200011215754 [1,1,0,0,0,0|2,0,0]=4 1178 B18R0.19788 CCCCCCCCCCCNC(=O)NCCCC 512a_200011215754_100000102301 [1,1,0,0,0,0|2,0,0]=4 1179 B18R0.19788 CCCCCCCCCCCNC(=O)NCCCF 2708a_100015189416_200011215754 [1,1,0,0,0,0|2,0,0]=4 1180 B18R0.19788 CCCCCCCCCCCNC(=O)NCCCF 2708a_200011215754_100015189416 [1,1,0,0,0,0|2,0,0]=4 1181 B18R0.19788 CCCCCCCCCCCNC(=O)NCCCF 273464a_100015189416_200011215754 [1,1,0,0,0,0|2,0,0]=4 1182 B18R0.19788 CCCCCCCCCCCNC(=O)NCCCF 273464a_200011215754_100015189416 [1,1,0,0,0,0|2,0,0]=4 1183 B18R0.19788 CCCCCCCCCCCNC(=O)NCCCF 512a_100015189416_200011215754 [1,1,0,0,0,0|2,0,0]=4 1184 B18R0.19788 CCCCCCCCCCCNC(=O)NCCCF 512a_200011215754_100015189416 [1,1,0,0,0,0|2,0,0]=4 1185 B18R0.19788 CCCCCCCCCCCNC(=O)NCCCO 2708a_200011215754_100000182051 [1,1,0,0,0,0|1,0,0]=3 1186 B18R0.19788 CCCCCCCCCCCNC(=O)NCCCO 273464a_100000182051_200011215754 [1,1,0,0,0,0|1,0,0]=3 1187 B18R0.19788 CCCCCCCCCCCNC(=O)NCCCO 273464a_200011215754_100000182051 [1,1,0,0,0,0|1,0,0]=3 1188 B18R0.19788 CCCCCCCCCCCNC(=O)NCCCO 512a_200011215754_100000182051 [1,1,0,0,0,0|1,0,0]=3 1189 B18R0.19788 CCCCCCCCCCCNC(=O)NNCCO 273464a_200011215754_100000210001 [1,1,0,0,0,0|2,0,0]=4 1190 B18R0.19788 CCCCCCCCCCCNC(=O)NNCCO 512a_200011215754_100000210001 [1,1,0,0,0,0|2,0,0]=4 1191 B18R0.19788 CCCCCCCCCCNCC(=O)NCCCC 2230a_100000684558_100000182744 [1,1,0,0,0,0|2,0,0]=4 1192 B18R0.19788 CCCCCCCCCCNCC(=O)NCCCC 34a_100000684558_100000182744 [1,1,0,0,0,0|2,0,0]=4 1193 B18R0.19788 CCCCCCCCCCNCC(=O)OCCCC 2230a_100000684558_100000211628 [1,1,0,0,0,0|1,0,0]=3 1194 B18R0.19788 CCCCCCCCCCNCC(=O)OCCCC 34a_100000684558_100000211628 [1,1,0,0,0,0|1,0,0]=3 1195 B18R0.19788 CCCCCCCCCCNCC(=O)OCCOC 2230a_100000684558_200000040189 [1,1,0,0,0,0|2,0,0]=4 1196 B18R0.19788 CCCCCCCCCCNCC(=O)OCCOC 34a_100000684558_200000040189 [1,1,0,0,0,0|2,0,0]=4 1197 B18R0.19788 CCCCCCCCCCOCC(=O)NCCCC 34a_100000210711_100000182744 [1,1,0,0,0,0|2,0,0]=4 1198 B18R0.19788 CCCCCCCCCCOCC(=O)NCCCC 7a_100000210711_100000182744 [1,1,0,0,0,0|2,0,0]=4 1199 B18R0.19788 CCCCCCCCCCOCC(=O)OCCCC 34a_100000210711_100000211628 [1,1,0,0,0,0|1,0,0]=3 1200 B18R0.19788 CCCCCCCCCCOCC(=O)OCCCC 7a_100000210711_100000211628 [1,1,0,0,0,0|1,0,0]=3 1201 B18R0.19788 CCCCCCCCCCOCC(=O)OCCOC 34a_100000210711_200000040189 [1,1,0,0,0,0|2,0,0]=4 1202 B18R0.19788 CCCCCCCCCCOCC(=O)OCCOC 7a_100000210711_200000040189 [1,1,0,0,0,0|2,0,0]=4 1203 B18R0.19788 CCCCCCCCCCSCC(=O)NCCCC 62a_100000182744_100000210320 [1,1,0,0,0,0|2,0,0]=4 1204 B18R0.19788 CCCCCCCCCCSCC(=O)OCCOC 62a_200000040189_100000210320 [1,1,0,0,0,0|2,0,0]=4 1205 B18R0.19788 CCCCNC(=O)CCCCCCCCCCCO 240690a_100000102301_100000037981 [1,1,0,0,0,0|2,0,0]=4 1206 B18R0.19788 CCCCOC(=O)CNCCCCCCCCCO 2230a_100000078944_100000211628 [1,1,0,0,0,0|2,0,0]=4 1207 B18R0.19788 CCCCOC(=O)CNCCCCCCCCCO 34a_100000078944_100000211628 [1,1,0,0,0,0|2,0,0]=4 1208 B18R0.19788 CCCCOC(=O)COCCCCCCCCCBr 34a_100009813782_100000211628 [1,1,0,0,0,0|2,0,0]=4 1209 B18R0.19788 CCCCOC(=O)COCCCCCCCCCBr 7a_100009813782_100000211628 [1,1,0,0,0,0|2,0,0]=4 1210 B18R0.19788 CCCCOC(=O)COCCCCCCCCCCl 34a_100009868337_100000211628 [1,1,0,0,0,0|2,0,0]=4 1211 B18R0.19788 CCCCOC(=O)COCCCCCCCCCCl 7a_100009868337_100000211628 [1,1,0,0,0,0|2,0,0]=4 1212 B18R0.19788 CCCCOC(=O)COCCCCCCCCCN 34a_100000078944_100000211628 [1,1,0,0,0,0|2,0,0]=4 1213 B18R0.19788 CCCCOC(=O)CSCCCCCCCCCO 62a_100000211628_100009813782 [1,1,0,0,0,0|2,0,0]=4 1214 B18R0.19788 CCCCOC(=O)CSCCCCCCCCCO 62a_100009813782_100000211628 [1,1,0,0,0,0|2,0,0]=4 1215 B18R0.19788 O=C(CCCCCCCCCCCO)NCCCF 240690a_100015189416_100000037981 [1,1,0,0,0,0|2,0,0]=4 1216 B18R0.19788 O=C(CCCCCCCCCCCO)NCCCO 240690a_100000182051_100000037981 [1,1,0,0,0,0|1,0,0]=3 1217 B18R0.19788 O=C(CCCCCCCCCCCO)NNCCO 22a_100000210001_100000037981 [1,1,0,0,0,0|2,0,0]=4 1218 B18R0.19788 O=C(NCCCO)NCCCCCCCCCCO 2708a_100000066964_100000182051 [1,1,0,0,0,0|2,0,0]=4 1219 B18R0.19788 O=C(NCCCO)NCCCCCCCCCCO 273464a_100000066964_100000182051 [1,1,0,0,0,0|2,0,0]=4 1220 B18R0.19788 O=C(NCCCO)NCCCCCCCCCCO 273464a_100000182051_100000066964 [1,1,0,0,0,0|2,0,0]=4 1221 B18R0.19788 O=C(NCCCO)NCCCCCCCCCCO 512a_100000066964_100000182051 [1,1,0,0,0,0|2,0,0]=4 1222 B18R0.19897 CCCCCCC(C)CCOCC(=O)OCCCC 34a_200011024964_100000211628 [1,1,0,0,0,0|2,0,0]=4 1223 B18R0.19897 CCCCCCC(C)CCOCC(=O)OCCCC 7a_200011024964_100000211628 [1,1,0,0,0,0|2,0,0]=4 1224 B18R0.20936 CCCCCCCCC(C)OCC(=O)OCCCC 34a_100000210740_100000211628 [1,1,0,0,0,0|2,0,0]=4 1225 B18R0.20936 CCCCCCCCC(C)OCC(=O)OCCCC 7a_100000210740_100000211628 [1,1,0,0,0,0|2,0,0]=4 1226 B18R0.3204 CC(C)CCCCCCNCC(=O)NCC(O)CO 2230a_100000211014_200012027429 [1,1,0,0,0,0|2,0,0]=4 1227 B18R0.3204 CC(C)CCCCCCNCC(=O)NCC(O)CO 34a_100000211014_200012027429 [1,1,0,0,0,0|2,0,0]=4 1228 B18R0.9731 CCCCCCCC(C)OCC(=O)NCC(O)CO 34a_200011215852_200012027429 [1,1,0,0,0,0|2,0,0]=4 1229 B18R0.9731 CCCCCCCC(C)OCC(=O)NCC(O)CO 7a_200011215852_200012027429 [1,1,0,0,0,0|2,0,0]=4 1230 B18R0.9731 CCCCCCCC(C)SCC(=O)NCC(O)CO 62a_200011218727_200012027429 [1,1,0,0,0,0|2,0,0]=4 1231 B18R0.9731 CCCCCCCC(C)SCC(=O)NCC(O)CO 62a_200012027429_200011218727 [1,1,0,0,0,0|2,0,0]=4 1232 B18R0.11281 CCCCCCCCCCC(=O)NCC(CC)OC 11a_100000731041_100000210375 [1,1,0,0,0,0|2,0,0]=4 1233 B18R0.11281 CCCCCCCCCCC(=O)NCC(CC)OC 1626a_100000731041_100000210375 [1,1,0,0,0,0|2,0,0]=4 1234 B18R0.11281 CCCCCCCCCCC(=O)NCC(CC)OC 240690a_100000731041_100000210375 [1,1,0,0,0,0|2,0,0]=4 1235 B18R0.13485 CCC(C)CCCCCOCC(=O)NCC(O)CO 7a_200000035636_200012027429 [1,1,0,0,0,0|2,0,0]=4 1236 B18R0.17280 CCCCCCCCCCS(=O)(=O)NC[C@H](O)CO 270084a_100020644852_200011217601 [1,1,0,0,0,0|2,0,0]=4 1237 B18R0.19180 CCCCCCCCCCC(=O)N(C)CC(O)CO 240690a_100011216503_100000210375 [1,1,0,0,0,0|1,0,0]=3 1238 B18R0.19180 CCCCCCCCCNC(=O)N(C)CC(O)CO 2708a_100000212291_100011216503 [1,1,0,0,0,0|2,0,0]=4 1239 B18R0.19180 CCCCCCCCOCC(=O)N(C)CC(O)CO 240690a_100011216503_100000759886 [1,1,0,0,0,0|2,0,0]=4 1240 B18R0.19180 CCCCCCCCOCC(=O)N(C)CC(O)CO 527a_100011216503_100000759886 [1,1,0,0,0,0|2,0,0]=4 1241 B18R0.19180 CN(CC(O)CO)C(=O)CCCCCCCCCF 240690a_100011216503_200009909015 [1,1,0,0,0,0|2,0,0]=4 1242 B18R0.19180 CN(CC(O)CO)C(=O)CCCCCCCCCF 527a_100011216503_200009909015 [1,1,0,0,0,0|2,0,0]=4 1243 B18R0.19180 CN(CC(O)CO)C(=O)CCCCCCCCCO 240690a_100011216503_100000032657 [1,1,0,0,0,0|2,0,0]=4 1244 B18R0.19210 CCCCCCCCCCC(=O)NCC(O)COC 240690a_100000756049_100000210375 [1,1,0,0,0,0|1,0,0]=3 1245 B18R0.19210 CCCCCCCCCCC(C)OCC(O)COC 34a_100011215000_100011215053 [1,1,0,0,0,0|1,0,1]=4 1246 B18R0.19210 CCCCCCCCCCC(C)OCC(O)COC 7a_100011215000_100011215053 [1,1,0,0,0,0|1,0,1]=4 1247 B18R0.19210 CCCCCCCCCNC(=O)NCC(O)COC 2708a_100000212291_100000756049 [1,1,0,0,0,0|2,0,0]=4 1248 B18R0.19210 CCCCCCCCCNC(=O)NCC(O)COC 273464a_100000212291_100000756049 [1,1,0,0,0,0|2,0,0]=4 1249 B18R0.19210 CCCCCCCCCNC(=O)NCC(O)COC 273464a_100000756049_100000212291 [1,1,0,0,0,0|2,0,0]=4 1250 B18R0.19210 CCCCCCCCCNC(=O)NCC(O)COC 512a_100000212291_100000756049 [1,1,0,0,0,0|2,0,0]=4 1251 B18R0.19210 CCCCCCCCCNC(=O)NCC(O)COC 512a_100000756049_100000212291 [1,1,0,0,0,0|2,0,0]=4 1252 B18R0.19210 CCCCCCCCOCC(=O)NCC(O)COC 240690a_100000756049_100000759886 [1,1,0,0,0,0|2,0,0]=4 1253 B18R0.19210 CCCCCCCCOCC(=O)NCC(O)COC 527a_100000756049_100000759886 [1,1,0,0,0,0|2,0,0]=4 1254 B18R0.19210 COCC(O)CNC(=O)CCCCCCCCCF 240690a_100000756049_200009909015 [1,1,0,0,0,0|2,0,0]=4 1255 B18R0.19210 COCC(O)CNC(=O)CCCCCCCCCF 527a_100000756049_200009909015 [1,1,0,0,0,0|2,0,0]=4 1256 B18R0.19210 COCC(O)CNC(=O)CCCCCCCCCO 240690a_100000756049_100000032657 [1,1,0,0,0,0|2,0,0]=4 1257 B18R0.19789 CCCCCCCCCCC(=O)NCC(O)C(C)C 11a_100000759067_100000210375 [1,1,0,0,0,0|2,0,0]=4 1258 B18R0.19789 CCCCCCCCCCC(=O)NCC(O)C(C)C 240690a_100000759067_100000210375 [1,1,0,0,0,0|2,0,0]=4 1259 B18R0.19830 CCCCCCCCCCC(=O)NCC(C)(C)CO 240690a_100020635058_100000210375 [1,1,0,0,0,0|2,0,0]=4 1260 B18R0.19830 CCCCCCCCCCC(=O)NCC(F)(F)CO 240690a_100000703232_100000210375 [1,1,0,0,0,0|2,0,0]=4 1261 B18R0.19890 CCCCCCCCC(=O)CC(=O)NCC(O)CO 1458a_100000210188_200012027429 [1,1,0,0,0,0|1,0,1]=4 1262 B18R0.19890 CCCCCCCCN(C)CC(=O)NCC(O)CO 2230a_100000207567_200012027429 [1,1,0,0,0,0|2,0,0]=4 1263 B18R0.19890 CCCCCCCCN(C)CC(=O)NCC(O)CO 269982a_100000207567_200012027429 [1,1,0,0,0,0|2,0,0]=4 1264 B18R0.20144 CCCCCCCCCN(C)C(=O)NC[C@H](O)CO 273464a_100020644852_100000232482 [1,1,0,0,0,0|2,0,0]=4 1265 B18R0.6544 C=C[C@@H](CO)NC(=O)CCCCCCCCCCC 240690a_100016989147_100000210736 [0,1,0,0,1,0|2,0,0]=4 1266 B18R0.6544 CCCCCCCCCCCC(=O)CC(OC)OC 1458a_100000082724_100011215454 [0,1,0,0,1,0|2,0,0]=4 1267 B18R0.6544 CCCCCCCCCCCC(=O)CC(OC)OC 1458a_100000210736_100000751394 [0,1,0,0,1,0|2,0,0]=4 1268 B18R0.6544 CCCCCCCCCCCC(=O)NC(CO)CO 240690a_100000759517_100000210736 [0,1,0,0,1,0|1,0,0]=3 1269 B18R0.6544 CCCCCCCCCCCC(=O)N[C@@H](CC)CO 240690a_100000709445_100000210736 [0,1,0,0,1,0|2,0,0]=4 1270 B18R0.6544 CCCCCCCCCCNC(=O)NC(CO)CO 2708a_100000684558_100000759517 [0,1,0,0,1,0|2,0,0]=4 1271 B18R0.6544 CCCCCCCCCCNC(=O)NC(CO)CO 273464a_100000684558_100000759517 [0,1,0,0,1,0|2,0,0]=4 1272 B18R0.6544 CCCCCCCCCCNC(=O)NC(CO)CO 273464a_100000759517_100000684558 [0,1,0,0,1,0|2,0,0]=4 1273 B18R0.6544 CCCCCCCCCCNC(=O)NC(CO)CO 512a_100000684558_100000759517 [0,1,0,0,1,0|2,0,0]=4 1274 B18R0.6544 O=C(CCCCCCCCCCO)NC(CO)CO 240690a_100000759517_200000016029 [0,1,0,0,1,0|2,0,0]=4 1275 B18R0.11196 C=CCCCCCCCCCC(=O)[C@H](O)[C@H](O)CO 1458a_100015448053_100009814027 [0,1,0,0,1,0|0,0,2]=4 1276 B18R0.11196 CCCCCCCCCCCC(=O)N(C)C(C)CO 240690a_100000693034_100000210736 [0,1,0,0,1,0|2,0,0]=4 1277 B18R0.11196 CCCCCCCCCCCC(=O)[C@H](O)[C@H](O)CO 1458a_100015448053_100011215454 [0,1,0,0,1,0|0,0,0]=2 1278 B18R0.11196 CCCCCCCCCCNC(=O)[C@H](O)[C@H](O)CO 240690a_100000684558_100015448053 [0,1,0,0,1,0|1,0,0]=3 1279 B18R0.11196 O=C(CCCCCCCCCCO)[C@H](O)[C@H](O)CO 1458a_100015448053_100009813290 [0,1,0,0,1,0|1,0,0]=3 1280 B18R0.17236 CCC(C)(O)CC(=O)CCCCCCCCCCO 1458a_200011219800_100009813290 [0,1,0,0,1,0|2,0,0]=4 1281 B18R0.17236 CCCCCCCCCCCC(=O)NC(C)(C)CO 240690a_100000210608_100000210736 [0,1,0,0,1,0|2,0,0]=4 1282 B18R0.17236 CCCCCCCCCCNC(=O)CC(C)(O)CC 240690a_100000684558_200011219800 [0,1,0,0,1,0|2,0,0]=4 1283 B18R0.17236 CCCCCCCCCCNC(=O)CC(C)(O)CC 527a_100000684558_200011219800 [0,1,0,0,1,0|2,0,0]=4 1284 B18R0.19809 CCCCCCCCCC(C)CN(C)CC(O)CO 270004a_100011216503_200011218516 [0,1,0,0,1,0|2,0,0]=4 1285 B18R0.19809 CCCCCCCCCC(O)CC(=O)N[C@H](C)CO 240690a_100000737577_200012339438 [0,1,0,0,1,0|2,0,0]=4 1286 B18R1.5072 CC(O)CCC(=O)CCCCCN1CCCCC1 1458a_100012051570_100012276601 [1,0,0,1,0,0|2,0,0]=4 1287 B18R1.5072 CC(O)CNC(=O)CCCCCN1CCCCC1 11a_100000210904_100012051570 [1,0,0,1,0,0|2,0,0]=4 1288 B18R1.5072 CC(O)CNC(=O)CCCCCN1CCCCC1 240690a_100000210904_100012051570 [1,0,0,1,0,0|2,0,0]=4 1289 B18R1.41512 CCCCCCCCCCCC(=O)N[C@@H]1C[C@@H]1F 240690a_100015190264_100000210736 [1,0,0,1,0,0|2,0,0]=4 1290 B18R1.41512 CCCCCCCCCCCC(=O)N[C@@H]1C[C@H]1F 11a_100025746932_100000210736 [1,0,0,1,0,0|2,0,0]=4 1291 B18R1.41512 CCCCCCCCCCCC(=O)N[C@@H]1C[C@H]1F 1626a_100025746932_100000210736 [1,0,0,1,0,0|2,0,0]=4 1292 B18R1.41512 CCCCCCCCCCCC(=O)N[C@@H]1C[C@H]1F 240690a_100025746932_100000210736 [1,0,0,1,0,0|2,0,0]=4 1293 B18R1.41514 CCCCCCCCCCCC(=O)CCC1CO1 1458a_100000210736_100000732470 [1,0,0,1,0,0|1,0,0]=3 1294 B18R1.41514 CCCCCCCCCCCC(=O)NCC1CC1 11a_100000735609_100000210736 [1,0,0,1,0,0|2,0,0]=4 1295 B18R1.41514 CCCCCCCCCCCC(=O)NCC1CC1 1626a_100000735609_100000210736 [1,0,0,1,0,0|2,0,0]=4 1296 B18R1.41514 CCCCCCCCCCCC(=O)NCC1CC1 240690a_100000735609_100000210736 [1,0,0,1,0,0|2,0,0]=4 1297 B18R1.41514 CCCCCCCCCCCC(C)OCC1CO1 34a_100011217895_102125554688 [1,0,0,1,0,0|1,0,1]=4 1298 B18R1.41514 CCCCCCCCCCCC(C)OCC1CO1 7a_100011217895_102125554688 [1,0,0,1,0,0|1,0,1]=4 1299 B18R1.41514 CCCCCCCCCCCC(C)OC[C@@H]1CO1 7a_100011217895_100000745022 [1,0,0,1,0,0|1,0,1]=4 1300 B18R1.41516 CCCCCCCCCCCC(=O)N1CC(C1)C 11a_100000702820_100000210736 [1,0,0,1,0,0|2,0,0]=4 1301 B18R1.41516 CCCCCCCCCCCC(=O)N1CC(C1)C 240690a_100000702820_100000210736 [1,0,0,1,0,0|2,0,0]=4 1302 B18R1.41516 CCCCCCCCCCCC(=O)N1CC(C1)F 11a_100000690557_100000210736 [1,0,0,1,0,0|2,0,0]=4 1303 B18R1.41516 CCCCCCCCCCCC(=O)N1CC(C1)F 240690a_100000690557_100000210736 [1,0,0,1,0,0|2,0,0]=4 1304 B18R1.41516 CCCCCCCCCCCC(=O)N1CC(C1)O 11a_100000749847_100000210736 [1,0,0,1,0,0|1,0,0]=3 1305 B18R1.41516 CCCCCCCCCCCC(=O)N1CC(C1)O 240690a_100000749847_100000210736 [1,0,0,1,0,0|1,0,0]=3 1306 B18R1.41516 CCCCCCCCCCCC(=O)[C@H]1C[C@H](C1)O 1458a_100015266633_100011215454 [1,0,0,1,0,0|1,0,0]=3 1307 B18R1.41516 CCCCCCCCCCNC(=O)N1CC(C1)O 2708a_100000684558_100000749847 [1,0,0,1,0,0|2,0,0]=4 1308 B18R1.41516 CCCCCCCCCCNC(=O)N1CC(C1)O 273464a_100000684558_100000749847 [1,0,0,1,0,0|2,0,0]=4 1309 B18R1.41516 CCCCCCCCCCNC(=O)[C@H]1C[C@H](C1)O 240690a_100000684558_100015266633 [1,0,0,1,0,0|2,0,0]=4 1310 B18R1.41516 CCCCCCCCCCNC(=O)[C@H]1C[C@H](C1)O 527a_100000684558_100015266633 [1,0,0,1,0,0|2,0,0]=4 1311 B18R1.41516 CCCCCCCCCNCC(=O)N1CC(C1)O 2230a_100000212291_100013143841 [1,0,0,1,0,0|2,0,0]=4 1312 B18R1.41516 CCCCCCCCCNCC(=O)N1CC(C1)O 34a_100000212291_100013143841 [1,0,0,1,0,0|2,0,0]=4 1313 B18R1.41516 CCCCCCCCCOCC(=O)N1CC(C1)O 34a_100000210712_100013143841 [1,0,0,1,0,0|2,0,0]=4 1314 B18R1.41516 CCCCCCCCCOCC(=O)N1CC(C1)O 7a_100000210712_100013143841 [1,0,0,1,0,0|2,0,0]=4 1315 B18R1.41516 CCCCCCCCCSCC(=O)N1CC(C1)O 62a_100013143841_100000210670 [1,0,0,1,0,0|2,0,0]=4 1316 B18R1.41516 O=C(CCCCCCCCCCO)N1CC(C1)O 240690a_100000749847_200000016029 [1,0,0,1,0,0|2,0,0]=4 1317 B18R1.41516 O=C(CCCCCCCCCCO)[C@H]1C[C@H](C1)O 1458a_100015266633_100009813290 [1,0,0,1,0,0|2,0,0]=4 1318 B18R1.49453 CCCCCCCCCO[C@H]1C(=O)OCC1(C)C 34a_100009815050_100011214924 [1,0,0,1,0,0|2,0,0]=4 1319 B18R1.49453 CCCCCCCCCO[C@H]1C(=O)OCC1(C)C 7a_100009815050_100000210328 [1,0,0,1,0,0|2,0,0]=4 1320 B18R1.174775 CC(O)CCC(=O)NCCC1CCCCCCC1 1626a_100011532352_100000718519 [1,0,0,1,0,0|2,0,0]=4 1321 B18R1.174775 CC(O)CNC(=O)NCCC1CCCCCCC1 2708a_100011532352_100000210904 [1,0,0,1,0,0|2,0,0]=4 1322 B18R1.174775 CC(O)CNC(=O)NCCC1CCCCCCC1 273464a_100000210904_100011532352 [1,0,0,1,0,0|2,0,0]=4 1323 B18R1.174775 CC(O)CNC(=O)NCCC1CCCCCCC1 273464a_100011532352_100000210904 [1,0,0,1,0,0|2,0,0]=4 1324 B18R1.174775 CC(O)CNC(=O)NCCC1CCCCCCC1 512a_100000210904_100011532352 [1,0,0,1,0,0|2,0,0]=4 1325 B18R1.5429 CCCCCCCCCCCCOCC1CCO1 34a_100000039022_100000759014 [1,0,0,1,0,0|1,0,1]=4 1326 B18R1.5429 CCCCCCCCCCCCOCC1CCO1 34a_100000210810_100000103362 [1,0,0,1,0,0|1,0,1]=4 1327 B18R1.5429 CCCCCCCCCCCCOCC1CCO1 7a_100000210810_100000103362 [1,0,0,1,0,0|1,0,1]=4 1328 B18R1.5429 CCCCCCCCCCCCOCC1COC1 34a_100000060846_100000759014 [1,0,0,1,0,0|1,0,1]=4 1329 B18R1.5429 CCCCCCCCCCCCOCC1COC1 34a_100000210810_100010264016 [1,0,0,1,0,0|1,0,1]=4 1330 B18R1.5429 CCCCCCCCCCCCOCC1COC1 7a_100000210810_100010264016 [1,0,0,1,0,0|1,0,1]=4 1331 B18R1.33223 CCC(O)COC1CCCCCCCCCCC1 34a_100000211378_100011218378 [1,0,0,1,0,0|1,0,1]=4 1332 B18R1.33223 CCC(O)COC1CCCCCCCCCCC1 7a_100000211378_100011218378 [1,0,0,1,0,0|1,0,1]=4 1333 B18R1.33223 C[C@@H](CO)COC1CCCCCCCCCCC1 34a_100000211378_100000059175 [1,0,0,1,0,0|1,0,1]=4 1334 B18R1.33223 C[C@@H](CO)COC1CCCCCCCCCCC1 7a_100000211378_100000059175 [1,0,0,1,0,0|1,0,1]=4 1335 B18R1.33223 OCC(O)CNC1CCCCCCCCCCC1 2230a_100011194316_100011219619 [1,0,0,1,0,0|1,0,1]=4 1336 B18R1.33223 OCC(O)CNC1CCCCCCCCCCC1 34a_100011194316_100011219619 [1,0,0,1,0,0|1,0,1]=4 1337 B18R1.33223 OCC(O)COC1CCCCCCCCCCC1 34a_100000211378_100011219619 [1,0,0,1,0,0|0,0,1]=3 1338 B18R1.33223 OCC(O)COC1CCCCCCCCCCC1 7a_100000211378_100011219619 [1,0,0,1,0,0|0,0,1]=3 1339 B18R1.33223 OC[C@H](O)CNC1CCCCCCCCCCC1 2230a_100011194316_100009815848 [1,0,0,1,0,0|1,0,1]=4 1340 B18R1.33223 OC[C@H](O)CNC1CCCCCCCCCCC1 34a_100011194316_100009815848 [1,0,0,1,0,0|1,0,1]=4 1341 B18R1.33223 OC[C@H](O)COC1CCCCCCCCCCC1 34a_100000211378_100009815848 [1,0,0,1,0,0|0,0,1]=3 1342 B18R1.33223 OC[C@H](O)COC1CCCCCCCCCCC1 7a_100000211378_100009815848 [1,0,0,1,0,0|0,0,1]=3 1343 B18R1.33223 O[C@@H](CF)COC1CCCCCCCCCCC1 34a_100000211378_100015614560 [1,0,0,1,0,0|1,0,1]=4 1344 B18R1.33223 O[C@@H](CF)COC1CCCCCCCCCCC1 7a_100000211378_100015614560 [1,0,0,1,0,0|1,0,1]=4 1345 B18R1.40321 CCCCCCCC1CCCC1NC[C@H](O)CO 269862a_100020644852_200011216720 [1,0,0,1,0,0|1,0,1]=4 1346 B18R1.49463 CCCCCCCCCCCCOCC1(CO1)C 34a_100000210810_100000760498 [1,0,0,1,0,0|1,0,1]=4 1347 B18R1.1327 CCCCCCCCCCCC(=O)N1CCCC1 240690a_100000188435_100000210736 [1,0,0,1,0,0|2,0,0]=4 1348 B18R1.1327 CCCCCCCCCCCC(=O)[C@@H]1CCCO1 1458a_100000686382_100011215454 [1,0,0,1,0,0|1,0,0]=3 1349 B18R1.1327 CCCCCCCCCCNC(=O)[C@@H]1CCCO1 11a_100000684558_100000686382 [1,0,0,1,0,0|2,0,0]=4 1350 B18R1.1327 CCCCCCCCCCNC(=O)[C@@H]1CCCO1 1626a_100000684558_100000686382 [1,0,0,1,0,0|2,0,0]=4 1351 B18R1.1327 CCCCCCCCCCNC(=O)[C@@H]1CCCO1 240690a_100000684558_100000686382 [1,0,0,1,0,0|2,0,0]=4 1352 B18R1.1327 CCCCCCCCCCNC(=O)[C@@H]1CCCO1 527a_100000684558_100000686382 [1,0,0,1,0,0|2,0,0]=4 1353 B18R1.1327 O=C(CCCCCCCCCCO)[C@@H]1CCCO1 1458a_100000686382_100009813290 [1,0,0,1,0,0|2,0,0]=4 1354 B18R1.1731 CCCCOC(=O)CNCCCC1CCCCC1 2230a_100011211642_100000211628 [1,0,0,1,0,0|2,0,0]=4 1355 B18R1.1731 CCCCOC(=O)CNCCCC1CCCCC1 34a_100011211642_100000211628 [1,0,0,1,0,0|2,0,0]=4 1356 B18R1.1731 CCCCOC(=O)COCCCC1CCCCC1 34a_100000198086_100000211628 [1,0,0,1,0,0|2,0,0]=4 1357 B18R1.1731 CCCCOC(=O)COCCCC1CCCCC1 7a_100000198086_100000211628 [1,0,0,1,0,0|2,0,0]=4 1358 B18R1.1731 CCCCOC(=O)CSCCCC1CCCCC1 62a_100000211628_100011713725 [1,0,0,1,0,0|2,0,0]=4 1359 B18R1.1731 CCCCOC(=O)CSCCCC1CCCCC1 62a_100011713725_100000211628 [1,0,0,1,0,0|2,0,0]=4 1360 B18R1.1731 O=C(CCCCCN1CCCCC1)NCCCO 240690a_100000182051_100012051570 [1,0,0,1,0,0|2,0,0]=4 1361 B18R1.1731 O=C(CCCCO)CCCCCN1CCCCC1 1458a_100012051570_100000210776 [1,0,0,1,0,0|2,0,0]=4 1362 B18R1.2620 CCCCOC(=O)COC1CCCCC1CCC 34a_100011217265_100000211628 [1,0,0,1,0,0|2,0,0]=4 1363 B18R1.2620 CCCCOC(=O)COC1CCCCC1CCC 7a_100011217265_100000211628 [1,0,0,1,0,0|2,0,0]=4 1364 B18R1.2678 CCCCOC(=O)CNCCC1CCCCCC1 2230a_100011532351_100000211628 [1,0,0,1,0,0|2,0,0]=4 1365 B18R1.2678 CCCCOC(=O)CNCCC1CCCCCC1 34a_100011532351_100000211628 [1,0,0,1,0,0|2,0,0]=4 1366 B18R1.3010 CCCCOC(=O)COCC1CCCCCCC1 34a_100011216312_100000211628 [1,0,0,1,0,0|2,0,0]=4 1367 B18R1.3010 CCCCOC(=O)COCC1CCCCCCC1 7a_100011216312_100000211628 [1,0,0,1,0,0|2,0,0]=4 1368 B18R1.3010 O=C(CCCCO)NCCC1CCCCCCC1 1626a_100011532352_100000695505 [1,0,0,1,0,0|2,0,0]=4 1369 B18R1.3010 O=C(NCCCO)NCCC1CCCCCCC1 2708a_100011532352_100000182051 [1,0,0,1,0,0|2,0,0]=4 1370 B18R1.3010 O=C(NCCCO)NCCC1CCCCCCC1 273464a_100000182051_100011532352 [1,0,0,1,0,0|2,0,0]=4 1371 B18R1.3010 O=C(NCCCO)NCCC1CCCCCCC1 273464a_100011532352_100000182051 [1,0,0,1,0,0|2,0,0]=4 1372 B18R1.41513 CCCCCCCCCCCC(=O)CC1CCO1 1458a_100000210736_100000103362 [1,0,0,1,0,0|1,0,0]=3 1373 B18R1.41513 CCCCCCCCCCCC(=O)NC1CCC1 11a_100000749019_100000210736 [1,0,0,1,0,0|2,0,0]=4 1374 B18R1.41513 CCCCCCCCCCCC(=O)NC1CCC1 1626a_100000749019_100000210736 [1,0,0,1,0,0|2,0,0]=4 1375 B18R1.41513 CCCCCCCCCCCC(=O)NC1CCC1 240690a_100000749019_100000210736 [1,0,0,1,0,0|2,0,0]=4 1376 B18R1.41515 CCCCCCCCCCCC(=O)N1CCC1C 11a_100000755817_100000210736 [1,0,0,1,0,0|2,0,0]=4 1377 B18R1.41515 CCCCCCCCCCCC(=O)N1CCC1C 240690a_100000755817_100000210736 [1,0,0,1,0,0|2,0,0]=4 1378 B18R1.1145 CCCCCCCCCCC(=O)C1CCC(C1)O 1458a_100000688591_100000210319 [1,0,0,1,0,0|2,0,0]=4 1379 B18R1.1145 CCCCCCCCCCC(=O)N1CCC(C1)O 240690a_100011215560_100000210375 [1,0,0,1,0,0|2,0,0]=4 1380 B18R1.7319 CCC1CCCCC1OCC(=O)NCC(O)CO 34a_100000210738_200012027429 [1,0,0,1,0,0|2,0,0]=4 1381 B18R1.7319 CCC1CCCCC1OCC(=O)NCC(O)CO 7a_100000210738_200012027429 [1,0,0,1,0,0|2,0,0]=4 1382 B18R1.10265 CC(CO)CNC(=O)CCCCC1CCCCC1 240690a_100000744482_200011215547 [1,0,0,1,0,0|2,0,0]=4 1383 B18R1.10265 CC(CO)CNC(=O)CCCCC1CCCCC1 527a_100000744482_200011215547 [1,0,0,1,0,0|2,0,0]=4 1384 B18R1.10265 CCC(O)CNC(=O)CCCCC1CCCCC1 11a_100011218483_200011215547 [1,0,0,1,0,0|2,0,0]=4 1385 B18R1.10265 CCC(O)CNC(=O)CCCCC1CCCCC1 240690a_100011218483_200011215547 [1,0,0,1,0,0|2,0,0]=4 1386 B18R1.10265 CCC(O)CNC(=O)CCCCC1CCCCC1 527a_100011218483_200011215547 [1,0,0,1,0,0|2,0,0]=4 1387 B18R1.10265 O=C(CCCCC1CCCCC1)NC[C@@H](F)CO 240690a_100015665980_200011215547 [1,0,0,1,0,0|2,0,0]=4 1388 B18R1.10265 O=C(CCCCC1CCCCC1)NC[C@@H](F)CO 527a_100015665980_200011215547 [1,0,0,1,0,0|2,0,0]=4 1389 B18R1.10265 O=C(CCCCC1CCCCC1)NC[C@H](O)CO 240690a_100020644852_200011215547 [1,0,0,1,0,0|1,0,0]=3 1390 B18R1.10265 O=C(CCCCC1CCCCC1)NC[C@H](O)CO 527a_100020644852_200011215547 [1,0,0,1,0,0|1,0,0]=3 1391 B18R1.10265 O=C(CCCCN1CCCCC1)NC[C@H](O)CO 240690a_100020644852_100000754417 [1,0,0,1,0,0|2,0,0]=4 1392 B18R1.10265 O=C(CNCCC1CCCCC1)NCC(O)CO 2230a_100000738074_200012027429 [1,0,0,1,0,0|2,0,0]=4 1393 B18R1.10265 O=C(CNCCC1CCCCC1)NCC(O)CO 34a_100000738074_200012027429 [1,0,0,1,0,0|2,0,0]=4 1394 B18R1.10265 O=C(COCCC1CCCCC1)NCC(O)CO 34a_100011217863_200012027429 [1,0,0,1,0,0|2,0,0]=4 1395 B18R1.10265 O=C(COCCC1CCCCC1)NCC(O)CO 7a_100011217863_200012027429 [1,0,0,1,0,0|2,0,0]=4 1396 B18R1.10265 O=C(CSCCC1CCCCC1)NCC(O)CO 62a_100012355289_200012027429 [1,0,0,1,0,0|2,0,0]=4 1397 B18R1.10265 O=C(CSCCC1CCCCC1)NCC(O)CO 62a_200012027429_100012355289 [1,0,0,1,0,0|2,0,0]=4 1398 B18R1.10265 O=C(NCCCC1CCCCC1)NC[C@H](O)CO 2708a_100011211642_100020644852 [1,0,0,1,0,0|2,0,0]=4 1399 B18R1.10265 O=C(NCCCC1CCCCC1)NC[C@H](O)CO 273464a_100011211642_100020644852 [1,0,0,1,0,0|2,0,0]=4 1400 B18R1.10265 O=C(NCCCC1CCCCC1)NC[C@H](O)CO 273464a_100020644852_100011211642 [1,0,0,1,0,0|2,0,0]=4 1401 B18R1.10280 O=C(CNCCCC1CCCC1)NCC(O)CO 2230a_100000736752_200012027429 [1,0,0,1,0,0|2,0,0]=4 1402 B18R1.10280 O=C(CNCCCC1CCCC1)NCC(O)CO 34a_100000736752_200012027429 [1,0,0,1,0,0|2,0,0]=4 1403 B18R1.10280 O=C(COCCCC1CCCC1)NCC(O)CO 34a_100011215328_200012027429 [1,0,0,1,0,0|2,0,0]=4 1404 B18R1.10280 O=C(COCCCC1CCCC1)NCC(O)CO 7a_100011215328_200012027429 [1,0,0,1,0,0|2,0,0]=4 1405 B18R1.10280 O=C(CSCCCC1CCCC1)NCC(O)CO 62a_100011713738_200012027429 [1,0,0,1,0,0|2,0,0]=4 1406 B18R1.10280 O=C(CSCCCC1CCCC1)NCC(O)CO 62a_200012027429_100011713738 [1,0,0,1,0,0|2,0,0]=4 1407 B18R1.13567 CCCCCCCCCCC(=O)NCC1COC1 11a_100015281925_100000210375 [1,0,0,1,0,0|2,0,0]=4 1408 B18R1.13567 CCCCCCCCCCC(=O)NCC1COC1 1626a_100015281925_100000210375 [1,0,0,1,0,0|2,0,0]=4 1409 B18R1.13567 CCCCCCCCCCC(=O)NCC1COC1 240690a_100015281925_100000210375 [1,0,0,1,0,0|2,0,0]=4 1410 B18R1.13567 CCCCCCCCCCC(=O)NC[C@@H]1CCO1 11a_100020831831_100000210375 [1,0,0,1,0,0|2,0,0]=4 1411 B18R1.13567 CCCCCCCCCCC(=O)NC[C@@H]1CCO1 1626a_100020831831_100000210375 [1,0,0,1,0,0|2,0,0]=4 1412 B18R1.13567 CCCCCCCCCCC(=O)NC[C@@H]1CCO1 240690a_100020831831_100000210375 [1,0,0,1,0,0|2,0,0]=4 1413 B18R1.23647 CCCC1CCCCN1CC(=O)NCC(O)CO 2230a_100000701414_200012027429 [1,0,0,1,0,0|2,0,0]=4 1414 B18R1.23647 CCCC1CCCCN1CC(=O)NCC(O)CO 269982a_100000701414_200012027429 [1,0,0,1,0,0|2,0,0]=4 1415 B18R1.23647 CCCC1CCCCN1CC(=O)NCC(O)CO 34a_100000701414_200012027429 [1,0,0,1,0,0|2,0,0]=4 1416 B18R1.49620 CCCCCCCCCCC(=O)NCC1(CC1)O 11a_100011936951_100000210375 [1,0,0,1,0,0|2,0,0]=4 1417 B18R1.49620 CCCCCCCCCCC(=O)NCC1(CC1)O 240690a_100011936951_100000210375 [1,0,0,1,0,0|2,0,0]=4 1418 B18R1.103948 O=C(CCN1CCCCCCC1)NC[C@H](O)CO 240690a_100020644852_200015187237 [1,0,0,1,0,0|2,0,0]=4 1419 B18R1.103948 O=C(CNC1CCCCCCC1)NCC(O)CO 2230a_100000211152_200012027429 [1,0,0,1,0,0|2,0,0]=4 1420 B18R1.103948 O=C(CNC1CCCCCCC1)NCC(O)CO 34a_100000211152_200012027429 [1,0,0,1,0,0|2,0,0]=4 1421 B18R1.103948 O=C(COC1CCCCCCC1)NCC(O)CO 34a_100000210054_200012027429 [1,0,0,1,0,0|2,0,0]=4 1422 B18R1.103948 O=C(COC1CCCCCCC1)NCC(O)CO 7a_100000210054_200012027429 [1,0,0,1,0,0|2,0,0]=4 1423 B18R1.104188 O=C(CN1CCCCCCCC1)NCC(O)CO 2230a_100000039187_200012027429 [1,0,0,1,0,0|2,0,0]=4 1424 B18R1.104188 O=C(CN1CCCCCCCC1)NCC(O)CO 269982a_100000039187_200012027429 [1,0,0,1,0,0|2,0,0]=4 1425 B18R1.104188 O=C(CN1CCCCCCCC1)NCC(O)CO 34a_100000039187_200012027429 [1,0,0,1,0,0|2,0,0]=4 1426 B18R1.244052 O=C(CNCC1CCCCCC1)NCC(O)CO 2230a_100015204231_200012027429 [1,0,0,1,0,0|2,0,0]=4 1427 B18R1.244052 O=C(CNCC1CCCCCC1)NCC(O)CO 34a_100015204231_200012027429 [1,0,0,1,0,0|2,0,0]=4 1428 B18R1.244052 O=C(COCC1CCCCCC1)NCC(O)CO 34a_100000699130_200012027429 [1,0,0,1,0,0|2,0,0]=4 1429 B18R1.244052 O=C(COCC1CCCCCC1)NCC(O)CO 7a_100000699130_200012027429 [1,0,0,1,0,0|2,0,0]=4 1430 B18R1.244052 O=C(CSCC1CCCCCC1)NCC(O)CO 62a_200000696569_200012027429 [1,0,0,1,0,0|2,0,0]=4 1431 B18R1.244052 O=C(CSCC1CCCCCC1)NCC(O)CO 62a_200012027429_200000696569 [1,0,0,1,0,0|2,0,0]=4 1432 B18R1.244052 O=C(NCCC1CCCCCC1)NC[C@H](O)CO 2708a_100011532351_100020644852 [1,0,0,1,0,0|2,0,0]=4 1433 B18R1.244052 O=C(NCCC1CCCCCC1)NC[C@H](O)CO 273464a_100011532351_100020644852 [1,0,0,1,0,0|2,0,0]=4 1434 B18R1.244052 O=C(NCCC1CCCCCC1)NC[C@H](O)CO 273464a_100020644852_100011532351 [1,0,0,1,0,0|2,0,0]=4 1435 B18R1.262381 CCCCCCCCCCC(=O)N1C[C@@H]([C@@H]1C)O 11a_206633788156_100000210375 [1,0,0,1,0,0|2,0,0]=4 1436 B18R1.262381 CCCCCCCCCCC(=O)N1C[C@@H]([C@@H]1C)O 240690a_206633788156_100000210375 [1,0,0,1,0,0|2,0,0]=4 1437 B18R1.262383 CCCCCCCCCCC(=O)C1CC(C1)CO 1458a_206645079618_100000210319 [1,0,0,1,0,0|2,0,0]=4 1438 B18R1.262383 CCCCCCCCCCC(=O)N1CC(C1)CO 240690a_100016987283_100000210375 [1,0,0,1,0,0|2,0,0]=4 1439 B18R1.803 CCC(O)CC(=O)CCCCCN1CCCCC1 1458a_100012051570_100011218378 [0,0,0,1,1,0|2,0,0]=4 1440 B18R1.803 C[C@@H](CO)CC(=O)CCCCCN1CCCCC1 1458a_100012051570_100000059175 [0,0,0,1,1,0|2,0,0]=4 1441 B18R1.13682 CCCCCCC1CCCC1N(C)CC(O)CO 270004a_100011216503_100000189428 [0,0,0,1,1,0|2,0,0]=4 1442 B18R1.28556 CCC(O)CC(=O)NCCC1CCCCCCC1 1626a_100011532352_100011667805 [0,0,0,1,1,0|2,0,0]=4 1443 B18R1.28556 CCC(O)CC(=O)NCCC1CCCCCCC1 240690a_100011532352_100011667805 [0,0,0,1,1,0|2,0,0]=4 1444 B18R1.34999 CCCCCCCCCCCN1C[C@H]([C@H](C1)O)O 2230a_100015207562_100011215454 [0,0,0,1,1,0|2,0,0]=4 1445 B18R1.34999 CCCCCCCCCCCN1C[C@H]([C@H](C1)O)O 269982a_100015207562_100011215454 [0,0,0,1,1,0|2,0,0]=4 1446 B18R1.49673 CCCCCCCCCCCC(=O)CC1(CO1)C 1458a_100000210736_100000760498 [0,0,0,1,1,0|1,0,0]=3 1447 B20R2.246184 O=C(CN1CCC2CCCCC2C1)NCC(O)CO 2230a_100000211783_200012027429 [0,0,0,2,0,0|2,0,0]=4 1448 B20R2.246184 O=C(CN1CCC2CCCCC2C1)NCC(O)CO 269982a_100000211783_200012027429 [0,0,0,2,0,0|2,0,0]=4 1449 B20R2.246184 O=C(CN1CCC2CCCCC2C1)NCC(O)CO 34a_100000211783_200012027429 [0,0,0,2,0,0|2,0,0]=4 1450 B20R2.265766 O=C(COC1CCC2CCCC2C1)NCC(O)CO 34a_100000073670_200012027429 [0,0,0,2,0,0|2,0,0]=4 1451 B20R2.265766 O=C(COC1CCC2CCCC2C1)NCC(O)CO 7a_100000073670_200012027429 [0,0,0,2,0,0|2,0,0]=4 1452 B20R2.4813 O=C(NC[C@H](O)CO)N1CCCC1C2CCCCC2 273464a_100020644852_100011206067 [0,0,0,2,0,0|2,0,0]=4 1453 B20R2.246162 O=C(CNCC1CC12CCCCC2)NCC(O)CO 2230a_100015185624_200012027429 [0,0,0,2,0,0|2,0,0]=4 1454 B20R2.246162 O=C(CNCC1CC12CCCCC2)NCC(O)CO 34a_100015185624_200012027429 [0,0,0,2,0,0|2,0,0]=4 1455 B20R2.7480300 O=C(CN1CCCC2C1CCCC2)NCC(O)CO 2230a_100000211887_200012027429 [0,0,0,2,0,0|2,0,0]=4 1456 B20R2.7480300 O=C(CN1CCCC2C1CCCC2)NCC(O)CO 269982a_100000211887_200012027429 [0,0,0,2,0,0|2,0,0]=4 1457 B20R2.7480300 O=C(CN1CCCC2C1CCCC2)NCC(O)CO 34a_100000211887_200012027429 [0,0,0,2,0,0|2,0,0]=4 1458 B20R2.75736 O=C(CN1CCCC1C2CCCC2)NCC(O)CO 2230a_100000743374_200012027429 [0,0,0,2,0,0|2,0,0]=4 1459 B20R2.75736 O=C(CN1CCCC1C2CCCC2)NCC(O)CO 269982a_100000743374_200012027429 [0,0,0,2,0,0|2,0,0]=4 1460 B20R2.75736 O=C(CN1CCCC1C2CCCC2)NCC(O)CO 34a_100000743374_200012027429 [0,0,0,2,0,0|2,0,0]=4 1461 B20R2.13370794 O=C(CNCC12CCCC1CCC2)NCC(O)CO 2230a_100159271432_200012027429 [0,0,0,2,0,0|2,0,0]=4 1462 B20R2.13370794 O=C(CNCC12CCCC1CCC2)NCC(O)CO 34a_100159271432_200012027429 [0,0,0,2,0,0|2,0,0]=4 1463 B20R2.2730251 CC1CCC2CCCCC2N1C(=O)NC[C@H](O)CO 273464a_100020644852_100132302184 [0,0,0,2,0,0|2,0,0]=4 1464 B16R0.302 C=CCCCCCCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100009814027 [1,0,0,0,1,0|0,0,2]=4 1465 B16R0.302 CC(C)CC(=O)CCCCCCCCCCO 1458a_100000210554_100009813290 [1,0,0,0,1,0|2,0,0]=4 1466 B16R0.302 CCCCCCCCCC=CC(=O)CC(C)O 1458a_200015352897_100011218427 [1,0,0,0,1,0|0,0,2]=4 1467 B16R0.302 CCCCCCCCCCCC(=O)CC(C)O 1458a_100000210736_100011218427 [1,0,0,0,1,0|0,0,0]=2 1468 B16R0.302 CCCCCCCCCCCC(=O)CN(C)C 1458a_100000750896_100011215454 [1,0,0,0,1,0|2,0,0]=4 1469 B16R0.302 CCCCCCCCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100011215454 [1,0,0,0,1,0|0,0,0]=2 1470 B16R0.302 CCCCCCCCCCCC(=O)C[S+](C)C 1458a_200159257847_100011215454 [1,0,0,0,1,0|2,0,0]=4 1471 B16R0.302 CCCCCCCCCCCC(=O)NC(C)C 11a_100138425928_100000210736 [1,0,0,0,1,0|2,0,0]=4 1472 B16R0.302 CCCCCCCCCCCC(=O)NC(C)C 1626a_100138425928_100000210736 [1,0,0,0,1,0|2,0,0]=4 1473 B16R0.302 CCCCCCCCCCCC(=O)NC(C)C 240690a_100138425928_100000210736 [1,0,0,0,1,0|2,0,0]=4 1474 B16R0.302 CCCCCCCCCCCN(C)CC(C)O 2230a_100000227577_100011215454 [1,0,0,0,1,0|2,0,0]=4 1475 B16R0.302 CCCCCCCCCCCN(C)CC(C)O 269982a_100000227577_100011215454 [1,0,0,0,1,0|2,0,0]=4 1476 B16R0.302 CCCCCCCCCCNC(=O)CC(C)C 11a_100000684558_100000210554 [1,0,0,0,1,0|2,0,0]=4 1477 B16R0.302 CCCCCCCCCCNC(=O)CC(C)C 1626a_100000684558_100000210554 [1,0,0,0,1,0|2,0,0]=4 1478 B16R0.302 CCCCCCCCCCNC(=O)CC(C)C 240690a_100000684558_100000210554 [1,0,0,0,1,0|2,0,0]=4 1479 B16R0.302 CCCCCCCCCCNC(=O)CC(C)C 527a_100000684558_100000210554 [1,0,0,0,1,0|2,0,0]=4 1480 B16R0.302 CCCCCCCCCCNC(=O)C[C@@H](C)O 240690a_100000684558_100011933948 [1,0,0,0,1,0|1,0,0]=3 1481 B16R0.302 CCCCCCCCCNCC(=O)OC(C)C 2230a_100000212291_100011215430 [1,0,0,0,1,0|2,0,0]=4 1482 B16R0.302 CCCCCCCCCNCC(=O)OC(C)C 34a_100000212291_100011215430 [1,0,0,0,1,0|2,0,0]=4 1483 B16R0.302 CCCCCCCCCOCC(=O)OC(C)C 34a_100000210712_100011215430 [1,0,0,0,1,0|2,0,0]=4 1484 B16R0.302 CCCCCCCCCOCC(=O)OC(C)C 7a_100000210712_100011215430 [1,0,0,0,1,0|2,0,0]=4 1485 B16R0.302 CCCCCCCCCSCC(=O)OC(C)C 62a_100011215430_100000210670 [1,0,0,0,1,0|2,0,0]=4 1486 B16R0.302 CCCCCCCCNCCC(=O)OC(C)C 2230a_100000229939_100000760027 [1,0,0,0,1,0|2,0,0]=4 1487 B16R0.302 CCCCCCCCOCCC(=O)OC(C)C 7a_100000210232_100000760027 [1,0,0,0,1,0|2,0,0]=4 1488 B16R0.302 CCCCCCCCSCCC(=O)OC(C)C 62a_100000210759_100000760027 [1,0,0,0,1,0|2,0,0]=4 1489 B16R0.302 CCCCCCCCSCCC(=O)OC(C)C 62a_100000760027_100000210317 [1,0,0,0,1,0|2,0,0]=4 1490 B16R0.302 CCCCCNCCCCCC(=O)OC(C)C 2230a_100000209983_200010986244 [1,0,0,0,1,0|2,0,0]=4 1491 B16R0.302 CCCCCOCCCCCC(=O)OC(C)C 34a_100000210253_200010986244 [1,0,0,0,1,0|2,0,0]=4 1492 B16R0.302 CCCCCOCCCCCC(=O)OC(C)C 7a_100000210253_200010986244 [1,0,0,0,1,0|2,0,0]=4 1493 B16R0.302 CCCCCSCCCCCC(=O)OC(C)C 62a_100000210326_200010986244 [1,0,0,0,1,0|2,0,0]=4 1494 B16R0.302 CCCCCSCCCCCC(=O)OC(C)C 62a_200010986244_100000210326 [1,0,0,0,1,0|2,0,0]=4 1495 B16R0.302 C[C@@H](O)CC(=O)CCCCCCCCCCO 1458a_100011933948_100009813290 [1,0,0,0,1,0|1,0,0]=3 1496 B16R0.302 C[C@@H](O)CC(=O)NCCCCCCCCCO 240690a_100000078944_100011933948 [1,0,0,0,1,0|2,0,0]=4 1497 B16R0.1182 CCC(O)CC(=O)CCCCCCCCCF 1458a_200009909015_100011218378 [1,0,0,0,1,0|2,0,0]=4 1498 B16R0.1182 CCC(O)CC(=O)CCCCCCCCCO 1458a_100011667805_100009813782 [1,0,0,0,1,0|2,0,0]=4 1499 B16R0.1182 CCCCCCCCCCC(=O)CC(O)CC 1458a_100000210375_100011218378 [1,0,0,0,1,0|1,0,0]=3 1500 B16R0.1182 CCCCCCCCCCC(=O)CC(O)CC 1458a_100011667805_100000210319 [1,0,0,0,1,0|1,0,0]=3 1501 B16R0.1182 CCCCCCCCCCC(=O)C[C@@H](C)CO 1458a_100000210375_100000059175 [1,0,0,0,1,0|1,0,0]=3 1502 B16R0.1182 CCCCCCCCCCC(=O)N[C@H](C)CO 240690a_100000737577_100000210375 [1,0,0,0,1,0|2,0,0]=4 1503 B16R0.1182 CCCCCCCCCCN(C)CC(O)CO 2230a_100000207566_100011219619 [1,0,0,0,1,0|2,0,0]=4 1504 B16R0.1182 CCCCCCCCCCN(C)CC(O)CO 2230a_100011216503_100000210320 [1,0,0,0,1,0|2,0,0]=4 1505 B16R0.1182 CCCCCCCCCCN(C)CC(O)CO 269982a_100011216503_100000210320 [1,0,0,0,1,0|2,0,0]=4 1506 B16R0.1182 CCCCCCCCCCN(C)C[C@@H](O)CO 2230a_100000207566_100009815848 [1,0,0,0,1,0|2,0,0]=4 1507 B16R0.1182 CCCCCCCCCNC(=O)CC(O)CC 1626a_100000212291_100011667805 [1,0,0,0,1,0|2,0,0]=4 1508 B16R0.1182 CCCCCCCCCNC(=O)CC(O)CC 240690a_100000212291_100011667805 [1,0,0,0,1,0|2,0,0]=4 1509 B16R0.1182 CCCCCCCCOCC(=O)CC(O)CC 1458a_100000759886_100011218378 [1,0,0,0,1,0|2,0,0]=4 1510 B16R0.1182 CCCCCCCCOCC(=O)C[C@@H](C)CO 1458a_100000759886_100000059175 [1,0,0,0,1,0|2,0,0]=4 1511 B16R0.1182 C[C@@H](CO)CC(=O)CCCCCCCCCF 1458a_200009909015_100000059175 [1,0,0,0,1,0|2,0,0]=4 1512 B16R0.70 C=CCCCCCCCCCC(=O)C(O)CO 1458a_100011215603_100009814027 [0,0,0,0,2,0|0,0,2]=4 1513 B16R0.70 CCC(O)C(=O)CCCCCCCCCCO 1458a_100011196387_100009813290 [0,0,0,0,2,0|2,0,0]=4 1514 B16R0.70 CCCCCCCCCCCC(=O)C(O)CC 1458a_100011196387_100011215454 [0,0,0,0,2,0|1,0,0]=3 1515 B16R0.70 CCCCCCCCCCCC(=O)C(O)CO 1458a_100011215603_100011215454 [0,0,0,0,2,0|0,0,0]=2 1516 B16R0.70 CCCCCCCCCCNC(=O)C(O)CC 240690a_100000684558_100011196387 [0,0,0,0,2,0|2,0,0]=4 1517 B16R0.70 CCCCCCCCCCNC(=O)C(O)CO 240690a_100000684558_100011215603 [0,0,0,0,2,0|1,0,0]=3 1518 B16R0.70 O=C(CCCCCCCCCCO)C(O)CO 1458a_100011215603_100009813290 [0,0,0,0,2,0|1,0,0]=3 1519 B16R0.70 O=C(NCCCCCCCCCO)C(O)CO 240690a_100000078944_100011215603 [0,0,0,0,2,0|2,0,0]=4