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NC1CC(C(=O)O)C1 AM20070624 [0,0,0,0,1,0|1,0,0]=2 171 B8R1.23 NC1CC(C(=O)O)C1 AM85612 [0,0,0,0,1,0|1,0,0]=2 172 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 AM20070631 [0,0,0,0,1,0|1,0,0]=2 173 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 AMY31853 [0,0,0,0,1,0|1,0,0]=2 174 B8R1.23 O=C(O)C1CC(F)C1 AM85510 [0,0,0,0,1,0|1,0,0]=2 175 B8R1.23 O=C(O)C1CC(O)C1 AM20070602 [0,0,0,0,1,0|0,0,0]=1 176 B8R1.23 O=C(O)[C@H]1C[C@@H](O)C1 AM10828 [0,0,0,0,1,0|0,0,0]=1 177 B8R1.23 O=C(O)[C@H]1C[C@H](O)C1 AM807032 [0,0,0,0,1,0|0,0,0]=1 178 B8R1.23 O=C1CC(C(=O)O)C1 AM20070608 [0,0,0,0,1,0|0,0,2]=3 179 B8R1.23 O=C1C[C@@H](C(=O)O)N1 AM20080461 [0,0,0,0,1,0|0,0,2]=3 180 B8R1.23 O=C1C[C@@H](C(=O)O)N1 AM80921 [0,0,0,0,1,0|0,0,2]=3 181 B8R1.31 CC1CCC1C(=O)O AM807028 [0,0,0,0,1,0|2,0,0]=3 182 B8R1.31 CC1NCC1C(=O)O AMY35766 [0,0,0,0,1,0|3,0,0]=4 183 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O AMY35641 [0,0,0,0,1,0|2,0,0]=3 184 B10R1.13 CC(=O)N1CCC(O)CC1 AM100786 [0,0,0,0,0,1|3,0,0]=4 185 B10R1.13 CC1CCC(C(=O)O)CC1 AM9725 [0,0,0,0,0,1|2,0,0]=3 186 B10R1.13 CC1CCC(C(N)=O)CN1 AMY5571 [0,0,0,0,0,1|3,0,0]=4 187 B10R1.13 CN1CCC(C(=O)O)CC1 AMY20081 [0,0,0,0,0,1|3,0,0]=4 188 B10R1.13 CN1CCC(C(=O)O)CC1 AMY38533 [0,0,0,0,0,1|3,0,0]=4 189 B10R1.13 C[C@H]1CC[C@H](C(=O)O)CC1 AMY18328 [0,0,0,0,0,1|2,0,0]=3 190 B10R1.13 NC1CCC(C(=O)O)CC1 AM9683 [0,0,0,0,0,1|2,0,0]=3 191 B10R1.13 N[C@H]1CC[C@@H](C(=O)O)CC1 AM9731 [0,0,0,0,0,1|2,0,0]=3 192 B10R1.13 N[C@H]1CC[C@@H](C(=O)O)CC1 AMY11829 [0,0,0,0,0,1|2,0,0]=3 193 B10R1.13 N[C@H]1CC[C@H](C(=O)O)CC1 AM20070477 [0,0,0,0,0,1|2,0,0]=3 194 B10R1.13 N[C@H]1CC[C@H](C(=O)O)CC1 AM20112001 [0,0,0,0,0,1|2,0,0]=3 195 B10R1.13 O=C(O)C1CCC(O)CC1 AM9676 [0,0,0,0,0,1|1,0,0]=2 196 B10R1.13 O=C(O)[C@@H]1CC[C@@H](O)CN1 AM9561 [0,0,0,0,0,1|0,0,0]=1 197 B10R1.13 O=C(O)[C@@H]1CC[C@@H](O)CN1 AMY202003234 [0,0,0,0,0,1|0,0,0]=1 198 B10R1.13 O=C(O)[C@H]1CC[C@@H](O)CC1 AMY34072 [0,0,0,0,0,1|1,0,0]=2 199 B10R1.13 O=C(O)[C@H]1CC[C@H](O)CC1 AM9679 [0,0,0,0,0,1|1,0,0]=2 200 B10R1.13 O=C1CCC(C(=O)O)CC1 AM20070517 [0,0,0,0,0,1|1,0,2]=4 201 B10R1.13 O=C1CC[C@H](C(=O)O)CN1 AMY19081 [0,0,0,0,0,1|1,0,2]=4 202 B10R1.54 CC(=O)O[C@H]1C=C[C@@H](O)C1 AMY34342 [0,0,0,0,0,1|2,0,1]=4 203 B10R1.54 O=C(O)CN1CC[C@H](Br)C1 AM92951 [0,0,0,0,0,1|3,0,0]=4 204 B10R1.54 O=C(O)CN1CC[C@H](Cl)C1 AM93985 [0,0,0,0,0,1|3,0,0]=4 205 B10R1.54 O=C(O)CN1CC[C@H](I)C1 AM94389 [0,0,0,0,0,1|3,0,0]=4 206 B10R1.54 O=C(O)CN1CC[C@H](O)C1 AM100585 [0,0,0,0,0,1|2,0,0]=3 207 B10R1.54 O=C(O)CN1CC[C@H](O)C1 AM91138 [0,0,0,0,0,1|2,0,0]=3 208 B10R1.54 O=C(O)CN1CC[C@H](O)C1 AM91139 [0,0,0,0,0,1|2,0,0]=3 209 B10R1.54 O=C(O)C[C@H]1CCC(=O)C1 AMY26021 [0,0,0,0,0,1|1,0,2]=4 210 B10R1.113 CC(=O)N1CCC[C@H](O)C1 AM101202 [0,0,0,0,0,1|3,0,0]=4 211 B10R1.113 CC(=O)N1CCC[C@H](O)C1 AM90672 [0,0,0,0,0,1|3,0,0]=4 212 B10R1.113 CN1CCC[C@H](C(=O)O)C1 AM807082 [0,0,0,0,0,1|3,0,0]=4 213 B10R1.113 CN1CCC[C@H](C(=O)O)C1 AMY2426 [0,0,0,0,0,1|3,0,0]=4 214 B10R1.113 CN1CCC[C@H](C(=O)O)C1 AMY34421 [0,0,0,0,0,1|3,0,0]=4 215 B10R1.113 C[C@@H]1CCN[C@@H](C(=O)O)C1 AMY21985 [0,0,0,0,0,1|1,0,0]=2 216 B10R1.113 NC1CCCC(C(=O)O)C1 AM9709 [0,0,0,0,0,1|2,0,0]=3 217 B10R1.113 N[C@@H]1CCC[C@@H](C(=O)O)C1 AMY41372 [0,0,0,0,0,1|2,0,0]=3 218 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 AM9711 [0,0,0,0,0,1|2,0,0]=3 219 B10R1.113 O=C(O)C1CCCC(O)C1 AM9713 [0,0,0,0,0,1|1,0,0]=2 220 B10R1.113 O=C(O)C1CNCC(O)C1 AMY20395 [0,0,0,0,0,1|0,0,0]=1 221 B10R1.113 O=C(O)C1CNCC(O)C1 AMY4388 [0,0,0,0,0,1|0,0,0]=1 222 B10R1.113 O=C(O)[C@@H]1CCC[C@H](O)C1 AMY35679 [0,0,0,0,0,1|1,0,0]=2 223 B10R1.113 O=C1CCC[C@H](C(=O)O)C1 AMY19013 [0,0,0,0,0,1|1,0,2]=4 224 B10R1.113 O=C1CCN[C@@H](C(=O)O)C1 AMY14973 [0,0,0,0,0,1|0,0,2]=3 225 B7R0.3 OCCC[C@H](O)CO AMY202100026 [1,0,1,0,0,0|1,0,1]=4 226 B7R0.4 C#CCCCC(=O)O AM81010 [1,0,1,0,0,0|1,0,1]=4 227 B7R0.4 C=CCCCC(=O)O AMY759 [1,0,1,0,0,0|1,0,1]=4 228 B7R0.4 C=CCNCC(=O)O AMY22559 [1,0,1,0,0,0|0,0,2]=4 229 B7R0.4 CC(=O)CCCCCl AM90172 [1,0,1,0,0,0|2,0,0]=4 230 B7R0.4 CC(=O)NCCCN AMY36360 [1,0,1,0,0,0|2,0,0]=4 231 B7R0.4 CCCOCC(=O)O AMY4018 [1,0,1,0,0,0|1,0,0]=3 232 B7R0.4 CNCCCC(=O)O AMY5046 [1,0,1,0,0,0|2,0,0]=4 233 B7R0.4 C[C@H](O)CNCCO AM807035 [1,0,1,0,0,0|0,0,1]=3 234 B7R0.4 N#CCCCC(=O)O AMY16028 [1,0,1,0,0,0|0,0,2]=4 235 B7R0.4 NCCCCC(=O)O AM82459 [1,0,1,0,0,0|0,0,0]=2 236 B7R0.4 NCCCCC(=O)O AMY39227 [1,0,1,0,0,0|0,0,0]=2 237 B7R0.4 O=C(Cl)CCCCBr AM85775 [1,0,1,0,0,0|2,0,0]=4 238 B7R0.4 O=C(Cl)CCCCCl AMY12305 [1,0,1,0,0,0|2,0,0]=4 239 B7R0.4 O=C(O)CCCCBr AM85660 [1,0,1,0,0,0|1,0,0]=3 240 B7R0.4 O=C(O)CCCCCl AMY40897 [1,0,1,0,0,0|1,0,0]=3 241 B7R0.4 O=C(O)COCCCl AMY28725 [1,0,1,0,0,0|2,0,0]=4 242 B7R0.5 C#CC[C@H](N)C(=O)O AM82632 [1,0,1,0,0,0|0,0,2]=4 243 B7R0.5 C=CC[C@H](C)C(=O)O AMY3846 [1,0,1,0,0,0|1,0,1]=4 244 B7R0.5 C=CC[C@H](N)C(=O)O AM82408 [1,0,1,0,0,0|0,0,2]=4 245 B7R0.5 C=CC[C@H](N)C(=O)O AM84669 [1,0,1,0,0,0|0,0,2]=4 246 B7R0.5 CCCC(=O)C(=O)O AMY6081 [1,0,1,0,0,0|1,0,1]=4 247 B7R0.5 CCC[C@H](N)C(=O)O AM20090147 [1,0,1,0,0,0|0,0,0]=2 248 B7R0.5 CCC[C@H](N)C(=O)O AM20100599 [1,0,1,0,0,0|0,0,0]=2 249 B7R0.5 CCC[C@H](N)C(=O)O AM20100742 [1,0,1,0,0,0|0,0,0]=2 250 B7R0.5 CNC[C@H](N)C(=O)O AM86002 [1,0,1,0,0,0|1,0,0]=3 251 B7R0.5 CNC[C@H](N)C(=O)O AMY22064 [1,0,1,0,0,0|1,0,0]=3 252 B7R0.5 COC[C@@H](N)C(=O)O AMY25034 [1,0,1,0,0,0|1,0,0]=3 253 B7R0.5 COC[C@H](Cl)C(=O)O AMY11466 [1,0,1,0,0,0|2,0,0]=4 254 B7R0.5 COC[C@H](N)C(=O)O AM808146 [1,0,1,0,0,0|1,0,0]=3 255 B7R0.5 COC[C@H](N)C(=O)O AM808152 [1,0,1,0,0,0|1,0,0]=3 256 B7R0.5 COC[C@H](N)C(=O)O AM808173 [1,0,1,0,0,0|1,0,0]=3 257 B7R0.5 CSC[C@H](N)C(=O)O AM82581 [1,0,1,0,0,0|1,0,0]=3 258 B7R0.5 NCC[C@H](N)C(=O)O AM20090101 [1,0,1,0,0,0|1,0,0]=3 259 B7R0.5 NCC[C@H](N)C(=O)O AM20100596 [1,0,1,0,0,0|1,0,0]=3 260 B7R0.5 NCC[C@H](N)C(=O)O AM803354 [1,0,1,0,0,0|1,0,0]=3 261 B7R0.5 NCC[C@H](N)C(=O)O AM82466 [1,0,1,0,0,0|1,0,0]=3 262 B7R0.5 NCC[C@H](O)C(=O)O AM20100077 [1,0,1,0,0,0|2,0,0]=4 263 B7R0.5 N[C@@H](CCBr)C(=O)O AMY18828 [1,0,1,0,0,0|1,0,0]=3 264 B7R0.5 N[C@@H](CCBr)C(=O)O AMY4429 [1,0,1,0,0,0|1,0,0]=3 265 B7R0.5 N[C@@H](CCO)C(=O)O AM20100471 [1,0,1,0,0,0|0,0,0]=2 266 B7R0.5 N[C@@H](CCO)C(=O)O AM20100617 [1,0,1,0,0,0|0,0,0]=2 267 B7R0.5 N[C@@H](CCO)C(=O)O AM82563 [1,0,1,0,0,0|0,0,0]=2 268 B7R0.5 N[C@@H](CCS)C(=O)O AMY25680 [1,0,1,0,0,0|0,1,0]=3 269 B7R0.6 CC(=O)CCC(=O)O AM20080171 [1,0,1,0,0,0|0,0,2]=4 270 B7R0.6 CC(C)CCC(=O)Cl AMY33518 [1,0,1,0,0,0|2,0,0]=4 271 B7R0.6 CC(C)OCC(=O)O AMY4704 [1,0,1,0,0,0|2,0,0]=4 272 B7R0.6 CN(C)CCC(=O)O AM86616 [1,0,1,0,0,0|2,0,0]=4 273 B7R0.15 CCC(CC)C(=O)[O-] AMY41123 [1,0,1,0,0,0|1,0,1]=4 274 B7R0.15 CC[C@H](NC)C(=O)O AM9485 [1,0,1,0,0,0|0,0,0]=2 275 B7R0.15 CN[C@@H](CO)C(=O)O AM9151 [1,0,1,0,0,0|0,0,0]=2 276 B7R0.15 CN[C@@H](CO)C(=O)O AM9254 [1,0,1,0,0,0|0,0,0]=2 277 B7R0.15 CN[C@@H](CS)C(=O)O AM9159 [1,0,1,0,0,0|0,1,0]=3 278 B7R0.15 CN[C@@H](CS)C(=O)O AM9312 [1,0,1,0,0,0|0,1,0]=3 279 B7R0.2 CC(C)C[C@H](N)CO AM20100311 [1,0,1,0,0,0|1,0,1]=4 280 B7R0.2 CC(C)C[C@H](N)CO AM20100733 [1,0,1,0,0,0|1,0,1]=4 281 B7R1.1 BrC[C@H]1CCCN1 AM100802 [2,0,0,0,0,0|1,0,1]=4 282 B7R1.1 BrC[C@H]1CCCN1 AM102098 [2,0,0,0,0,0|1,0,1]=4 283 B7R1.1 BrC[C@H]1CCCN1 AM93871 [2,0,0,0,0,0|1,0,1]=4 284 B7R1.1 CC[C@@H]1CCCN1 AMY37667 [2,0,0,0,0,0|1,0,1]=4 285 B7R1.1 CC[C@H]1CCCN1 AMY37675 [2,0,0,0,0,0|1,0,1]=4 286 B7R1.1 ClC[C@H]1CCCN1 AM100703 [2,0,0,0,0,0|1,0,1]=4 287 B7R1.1 ClC[C@H]1CCCN1 AM100886 [2,0,0,0,0,0|1,0,1]=4 288 B7R1.1 ClC[C@H]1CCCN1 AM100930 [2,0,0,0,0,0|1,0,1]=4 289 B7R1.1 FC[C@H]1CCCN1 AM20110257 [2,0,0,0,0,0|1,0,1]=4 290 B7R1.1 IC[C@H]1CCCN1 AM100991 [2,0,0,0,0,0|1,0,1]=4 291 B7R1.1 IC[C@H]1CCCN1 AM92918 [2,0,0,0,0,0|1,0,1]=4 292 B7R1.1 IC[C@H]1CCCN1 AM96723 [2,0,0,0,0,0|1,0,1]=4 293 B7R1.1 N#C[C@@H]1CCCN1 AMY14984 [2,0,0,0,0,0|1,0,1]=4 294 B7R1.1 N#C[C@@H]1CCCN1 AMY34394 [2,0,0,0,0,0|1,0,1]=4 295 B7R1.1 N#C[C@@H]1CCCN1 AMY35407 [2,0,0,0,0,0|1,0,1]=4 296 B7R1.1 NC[C@H]1CCCN1 AM20100417 [2,0,0,0,0,0|1,0,1]=4 297 B7R1.1 NC[C@H]1CCCN1 AMY5139 [2,0,0,0,0,0|1,0,1]=4 298 B7R1.1 O=CC1=CCCC1 AMY30885 [2,0,0,0,0,0|1,0,1]=4 299 B7R1.1 O=CC1CCCC1 AM83284 [2,0,0,0,0,0|1,0,0]=3 300 B7R1.1 O=CN1CCCC1 AMY24174 [2,0,0,0,0,0|2,0,0]=4 301 B7R1.1 O=C[C@@H]1CCCN1 AM101023 [2,0,0,0,0,0|0,0,0]=2 302 B7R1.1 O=C[C@@H]1CCCN1 AM95058 [2,0,0,0,0,0|0,0,0]=2 303 B7R1.1 O=C[C@@H]1CCCN1 AM95490 [2,0,0,0,0,0|0,0,0]=2 304 B7R1.1 O=C[C@@H]1CCCO1 AM85907 [2,0,0,0,0,0|1,0,0]=3 305 B7R1.1 O=C[C@H]1CCNC1 AM101346 [2,0,0,0,0,0|2,0,0]=4 306 B7R1.1 O=C[C@H]1CCNC1 AM94342 [2,0,0,0,0,0|2,0,0]=4 307 B7R1.1 O=C[C@H]1CCOC1 AMY5966 [2,0,0,0,0,0|2,0,0]=4 308 B7R1.1 OCC1CCCC1 AM20090579 [2,0,0,0,0,0|1,0,1]=4 309 B7R1.1 OC[C@@H]1CCCO1 AMY19263 [2,0,0,0,0,0|1,0,1]=4 310 B7R1.1 OC[C@H]1CCCN1 AM20100639 [2,0,0,0,0,0|0,0,1]=3 311 B7R1.1 OC[C@H]1CCCN1 AM803960 [2,0,0,0,0,0|0,0,1]=3 312 B7R1.1 OC[C@H]1CCCN1 AM82208 [2,0,0,0,0,0|0,0,1]=3 313 B7R1.1 OC[C@H]1CCCO1 AM81815 [2,0,0,0,0,0|1,0,1]=4 314 B7R1.1 OC[C@H]1CCCO1 AMY19266 [2,0,0,0,0,0|1,0,1]=4 315 B7R1.2 C[C@@H]1CNC(=O)C1 AMY34987 [2,0,0,0,0,0|1,0,1]=4 316 B7R1.2 C[C@@H]1C[C@H](O)CN1 AMY19216 [2,0,0,0,0,0|0,0,1]=3 317 B7R1.2 C[C@H]1CNC(=O)C1 AMY35747 [2,0,0,0,0,0|1,0,1]=4 318 B7R1.2 C[C@H]1C[C@@H](N)CN1 AMY19213 [2,0,0,0,0,0|1,0,1]=4 319 B7R1.2 C[C@H]1C[C@@H](O)CN1 AMY19265 [2,0,0,0,0,0|0,0,1]=3 320 B7R1.2 C[C@H]1C[C@H](N)CN1 AMY19217 [2,0,0,0,0,0|1,0,1]=4 321 B7R1.2 C[C@H]1C[C@H](O)CN1 AMY19218 [2,0,0,0,0,0|0,0,1]=3 322 B7R1.2 NC1CCC(O)C1 AMY19619 [2,0,0,0,0,0|2,0,0]=4 323 B7R1.2 N[C@@H]1CC[C@@H](O)C1 AMY19602 [2,0,0,0,0,0|2,0,0]=4 324 B7R1.2 N[C@@H]1CC[C@H](O)C1 AM802861 [2,0,0,0,0,0|2,0,0]=4 325 B7R1.2 N[C@@H]1CNC(=O)C1 AMY34929 [2,0,0,0,0,0|1,0,1]=4 326 B7R1.2 N[C@H]1CC[C@@H](O)C1 AMY12396 [2,0,0,0,0,0|2,0,0]=4 327 B7R1.2 N[C@H]1CC[C@@H](O)C1 AMY12405 [2,0,0,0,0,0|2,0,0]=4 328 B7R1.2 N[C@H]1CC[C@H](O)C1 AM804591 [2,0,0,0,0,0|2,0,0]=4 329 B7R1.2 N[C@H]1CC[C@H](O)C1 AMY19540 [2,0,0,0,0,0|2,0,0]=4 330 B7R1.2 O=C1CC[C@H](O)C1 AMY33737 [2,0,0,0,0,0|1,0,1]=4 331 B7R1.2 O=C1C[C@H](O)CN1 AM20090229 [2,0,0,0,0,0|0,0,1]=3 332 B7R1.2 O=C1C[C@H](O)CN1 AM20100631 [2,0,0,0,0,0|0,0,1]=3 333 B7R1.2 O=C1C[C@H](O)CN1 AMY22949 [2,0,0,0,0,0|0,0,1]=3 334 B7R1.2 O=C1C[C@H](O)CO1 AMY4221 [2,0,0,0,0,0|1,0,1]=4 335 B7R1.2 OC1CCC(O)C1 AMY33501 [2,0,0,0,0,0|1,0,0]=3 336 B9R0.13 CCCC[C@H](CC)C(=O)O AM9656 [0,1,1,0,0,0|2,0,0]=4 337 B9R0.13 CCCC[C@H](CC)C(=O)O AM9657 [0,1,1,0,0,0|2,0,0]=4 338 B9R0.13 CCCC[C@H](NC)C(=O)O AM9198 [0,1,1,0,0,0|2,0,0]=4 339 B9R0.13 CC[C@H](OCCCl)C(=O)O AMY17941 [0,1,1,0,0,0|2,0,0]=4 340 B9R0.13 CN[C@@H](CCCN)C(=O)O AM9305 [0,1,1,0,0,0|2,0,0]=4 341 B9R0.42 C[C@H](NC(=O)CCl)C(=O)O AMY19326 [0,1,1,0,0,0|1,0,1]=4 342 B9R0.47 CCCCC[C@H](C)C(=O)O AMY25539 [0,1,1,0,0,0|2,0,0]=4 343 B9R0.12 C=CC[C@H](NC)C(=O)OC AM9106 [0,1,1,0,0,0|1,0,1]=4 344 B9R0.12 CCC[C@H](NC)C(=O)OC AM9126 [0,1,1,0,0,0|1,0,0]=3 345 B9R0.29 CC[C@H](C)[C@H](NC)C(=O)O AM81857 [0,1,1,0,0,0|1,0,0]=3 346 B9R0.29 CC[C@H](C)[C@H](NC)C(=O)O AM9402 [0,1,1,0,0,0|1,0,0]=3 347 B9R0.39 CN[C@@H](CC(=O)O)C(=O)O AM81641 [0,1,1,0,0,0|0,0,1]=3 348 B9R0.39 CN[C@@H](CC(=O)O)C(=O)O AM9319 [0,1,1,0,0,0|0,0,1]=3 349 B9R0.39 CN[C@@H](CC(C)C)C(=O)O AM9276 [0,1,1,0,0,0|1,0,0]=3 350 B9R0.39 CN[C@@H](CC(C)C)C(=O)O AM9403 [0,1,1,0,0,0|1,0,0]=3 351 B9R0.11 CC(C)C[C@@](C)(N)C(=O)O AM10149 [0,1,1,0,0,0|1,0,0]=3 352 B9R0.11 CC(C)C[C@](C)(O)C(=O)O AM806593 [0,1,1,0,0,0|2,0,0]=4 353 B9R0.79 CC(C(=O)O)[C@H](N)C(=O)O AMY25962 [0,1,1,0,0,0|1,0,1]=4 354 B9R0.79 CC(C)[C@@H](O)[C@H](N)C(=O)O AM84304 [0,1,1,0,0,0|1,0,0]=3 355 B9R0.79 NC(C(=O)O)C(N)C(=O)O AM82548 [0,1,1,0,0,0|1,0,1]=4 356 B9R0.79 N[C@H](C(=O)O)[C@@H](N)C(=O)O AM82549 [0,1,1,0,0,0|1,0,1]=4 357 B9R0.79 N[C@H](C(=O)O)[C@H](N)C(=O)O AM82550 [0,1,1,0,0,0|1,0,1]=4 358 B9R0.53 CC(C)C[C@H](N)CC(=O)O AM20090584 [0,1,1,0,0,0|2,0,0]=4 359 B9R0.53 CC(C)C[C@H](N)CC(=O)O AMY14352 [0,1,1,0,0,0|2,0,0]=4 360 B9R0.53 CN(CC(=O)O)CC(=O)O AMY25152 [0,1,1,0,0,0|1,0,1]=4 361 B9R0.56 CC(C)(C)CNCC(=O)O AMY28474 [0,1,1,0,0,0|1,0,0]=3 362 B9R0.56 O=C(O)CNCP(=O)(O)O AMY22521 [0,1,1,0,0,0|2,0,0]=4 363 B9R1.22 CN1C[C@H](O)C[C@H]1CO AMY36419 [1,1,0,0,0,0|0,0,1]=3 364 B9R1.133 OC[C@@H]1CC(F)(F)CN1 AMY14743 [1,1,0,0,0,0|1,0,1]=4 365 B9R1.133 OC[C@H]1CC(F)(F)CN1 AMY12059 [1,1,0,0,0,0|1,0,1]=4 366 B9R1.11 COC(=O)C1=CCCC1 AM20090313 [1,1,0,0,0,0|1,0,1]=4 367 B9R1.11 COC(=O)C1CCCC1 AM803935 [1,1,0,0,0,0|1,0,0]=3 368 B9R1.11 COC(=O)[C@@H]1CCCN1 AM20090186 [1,1,0,0,0,0|0,0,0]=2 369 B9R1.11 COC(=O)[C@@H]1CCCN1 AM803993 [1,1,0,0,0,0|0,0,0]=2 370 B9R1.11 COC(=O)[C@@H]1CCCN1 AM82197 [1,1,0,0,0,0|0,0,0]=2 371 B9R1.11 COC(=O)[C@@H]1CCNC1 AMY23600 [1,1,0,0,0,0|2,0,0]=4 372 B9R1.11 COC(=O)[C@H]1CCNC1 AM20120399 [1,1,0,0,0,0|2,0,0]=4 373 B9R1.11 COC(=O)[C@H]1CCNC1 AM20120502 [1,1,0,0,0,0|2,0,0]=4 374 B9R1.11 COC(=O)[C@H]1CCNC1 AMY14571 [1,1,0,0,0,0|2,0,0]=4 375 B9R1.11 COC(=O)[C@H]1CCOC1 AMY202100097 [1,1,0,0,0,0|2,0,0]=4 376 B9R1.11 O=C(CCl)C1CCCC1 AMY7275 [1,1,0,0,0,0|2,0,0]=4 377 B9R1.19 CC(C)(O)[C@@H]1CCCN1 AMY37549 [1,1,0,0,0,0|1,0,1]=4 378 B9R1.19 CC(C)(O)[C@H]1CCCN1 AMY37504 [1,1,0,0,0,0|1,0,1]=4 379 B9R1.41 CN1CCC[C@H]1C(=O)O AM100855 [1,1,0,0,0,0|0,0,0]=2 380 B9R1.41 CN1CCC[C@H]1C(=O)O AM101133 [1,1,0,0,0,0|0,0,0]=2 381 B9R1.41 CN1CCC[C@H]1C(=O)O AM20090144 [1,1,0,0,0,0|0,0,0]=2 382 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O AMY21145 [1,1,0,0,0,0|1,0,0]=3 383 B9R1.41 O=C(O)[C@@H]1CCNC1=O AMY33623 [1,1,0,0,0,0|2,0,0]=4 384 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O AMY34381 [1,1,0,0,0,0|0,0,0]=2 385 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O AMY35737 [1,1,0,0,0,0|0,0,0]=2 386 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O AMY15345 [1,1,0,0,0,0|0,0,0]=2 387 B9R1.163 C[C@@]1(C(=O)O)CCCN1 AM803899 [1,1,0,0,0,0|0,0,0]=2 388 B9R1.163 C[C@@]1(C(=O)O)CSCS1 AMY6498 [1,1,0,0,0,0|2,0,0]=4 389 B9R1.163 C[C@]1(C(=O)O)CCCN1 AMY4324 [1,1,0,0,0,0|0,0,0]=2 390 B9R1.163 NC(=O)C1(N)CCCC1 AM20090025 [1,1,0,0,0,0|2,0,0]=4 391 B9R1.163 NC1(C(=O)O)CCCC1 AM20100281 [1,1,0,0,0,0|1,0,0]=3 392 B9R1.163 N[C@@]1(C(=O)O)CCOC1 AM91458 [1,1,0,0,0,0|2,0,0]=4 393 B9R1.163 O=C(O)C1(O)CCCC1 AMY40976 [1,1,0,0,0,0|1,0,0]=3 394 B9R1.163 O=C(O)[C@]1(O)CCNC1 AM807051 [1,1,0,0,0,0|2,0,0]=4 395 B9R1.55 N[C@H]1[C@@H](C(=O)O)C[C@H]1O AMY503 [0,1,0,0,1,0|0,0,0]=2 396 B9R1.82 C=C1CC(C(=O)OC)C1 AM85374 [0,1,0,0,1,0|1,0,1]=4 397 B9R1.82 COC(=O)C1CC(=O)C1 AM20070620 [0,1,0,0,1,0|0,0,2]=4 398 B9R1.82 COC(=O)C1CC(Br)C1 AM85789 [0,1,0,0,1,0|1,0,0]=3 399 B9R1.82 COC(=O)C1CC(Cl)C1 AMY34166 [0,1,0,0,1,0|1,0,0]=3 400 B9R1.82 COC(=O)C1CC(F)C1 AM85364 [0,1,0,0,1,0|1,0,0]=3 401 B9R1.82 COC(=O)C1CC(N)C1 AM85499 [0,1,0,0,1,0|1,0,0]=3 402 B9R1.82 COC(=O)C1CC(N)C1 AM85562 [0,1,0,0,1,0|1,0,0]=3 403 B9R1.82 COC(=O)C1CC(O)C1 AM20070616 [0,1,0,0,1,0|0,0,0]=2 404 B9R1.82 COC(=O)[C@H]1C[C@@H](N)C1 AMY14943 [0,1,0,0,1,0|1,0,0]=3 405 B9R1.82 COC(=O)[C@H]1C[C@@H](O)C1 AM10832 [0,1,0,0,1,0|0,0,0]=2 406 B9R1.82 COC(=O)[C@H]1C[C@H](Br)C1 AMY34213 [0,1,0,0,1,0|1,0,0]=3 407 B9R1.82 COC(=O)[C@H]1C[C@H](N)C1 AMY14941 [0,1,0,0,1,0|1,0,0]=3 408 B9R1.95 COC1CC(C(=O)O)C1 AM85782 [0,1,0,0,1,0|0,0,0]=2 409 B9R1.95 O=C(O)C1CC(CBr)C1 AM20070562 [0,1,0,0,1,0|1,0,0]=3 410 B9R1.95 O=C(O)C1CC(CO)C1 AM85445 [0,1,0,0,1,0|0,0,0]=2 411 B9R1.152 C=C1CC(C)(C(=O)O)C1 AMY34626 [0,1,0,0,1,0|1,0,1]=4 412 B9R1.152 NC1(C(=O)O)CC(F)C1 AMY34580 [0,1,0,0,1,0|1,0,0]=3 413 B9R1.164 CC(=O)C1CC(F)(F)C1 AMY34513 [0,1,0,0,1,0|2,0,0]=4 414 B9R1.164 CC1(C)CC(C(=O)O)C1 AM85738 [0,1,0,0,1,0|1,0,0]=3 415 B9R1.164 C[C@]1(O)C[C@H](C(=O)O)C1 AMY34067 [0,1,0,0,1,0|0,0,0]=2 416 B9R1.164 O=C(O)C1CC(F)(F)C1 AM20070563 [0,1,0,0,1,0|1,0,0]=3 417 B9R1.164 O=C(O)C1CS(=O)(=O)C1 AMY5750 [0,1,0,0,1,0|1,0,1]=4 418 B11R1.3 CC[C@H]1CC[C@H](C(=O)O)CC1 AMY18326 [0,1,0,0,0,1|2,0,0]=4 419 B11R1.3 CO[C@H]1CC[C@@H](C(=O)O)CC1 AMY35736 [0,1,0,0,0,1|1,0,0]=3 420 B11R1.3 NC[C@H]1CC[C@H](C(=O)O)CC1 AM84352 [0,1,0,0,0,1|2,0,0]=4 421 B11R1.3 O=C(O)[C@H]1CC[C@H](CO)CC1 AM9752 [0,1,0,0,0,1|1,0,0]=3 422 B11R1.3 O=C[C@H]1CC[C@H](C(=O)O)CC1 AM84265 [0,1,0,0,0,1|1,0,1]=4 423 B11R1.22 COC(=O)C1CCC(C)NC1 AM807142 [0,1,0,0,0,1|2,0,0]=4 424 B11R1.22 COC(=O)C1CCC(O)CC1 AM9677 [0,1,0,0,0,1|1,0,0]=3 425 B11R1.22 COC(=O)[C@@H]1CC[C@@H](C)NC1 AMY35648 [0,1,0,0,0,1|2,0,0]=4 426 B11R1.22 COC(=O)[C@H]1CC[C@@H](N)CC1 AMY34206 [0,1,0,0,0,1|2,0,0]=4 427 B11R1.22 COC(=O)[C@H]1CC[C@@H](O)CC1 AMY34207 [0,1,0,0,0,1|1,0,0]=3 428 B11R1.22 COC(=O)[C@H]1CC[C@H](N)CC1 AM20070500 [0,1,0,0,0,1|2,0,0]=4 429 B11R1.22 COC(=O)[C@H]1CC[C@H](N)CC1 AM62805 [0,1,0,0,0,1|2,0,0]=4 430 B11R1.22 COC(=O)[C@H]1CC[C@H](O)CC1 AM9680 [0,1,0,0,0,1|1,0,0]=3 431 B11R1.727 O=C(O)C1CCC(F)(F)CC1 AM20070528 [0,1,0,0,0,1|2,0,0]=4 432 B11R1.43 CO[C@H]1CCN(CC(=O)O)C1 AM94832 [0,1,0,0,0,1|2,0,0]=4 433 B11R1.43 O=C(O)CN1CC[C@H](CO)C1 AM91358 [0,1,0,0,0,1|2,0,0]=4 434 B11R1.23 COC(=O)C1CC(O)CCN1 AMY29015 [0,1,0,0,0,1|0,0,0]=2 435 B11R1.23 COC(=O)C1CNCC(C)C1 AMY35363 [0,1,0,0,0,1|1,0,0]=3 436 B11R1.23 COC(=O)C1CNCC(O)C1 AMY4327 [0,1,0,0,0,1|0,0,0]=2 437 B11R1.23 COC(=O)[C@@H]1CCC[C@H](N)C1 AM9712 [0,1,0,0,0,1|2,0,0]=4 438 B11R1.23 COC(=O)[C@@H]1CCC[C@H](O)C1 AMY35287 [0,1,0,0,0,1|1,0,0]=3 439 B11R1.23 COC(=O)[C@H]1CNC[C@@H](C)C1 AMY35378 [0,1,0,0,0,1|1,0,0]=3 440 B11R1.74 C[C@@H]1CC(C(=O)O)C[C@H](C)C1 AMY35840 [0,1,0,0,0,1|2,0,0]=4 441 B11R1.167 C[C@@H]1CCN(C)[C@@H](C(=O)O)C1 AMY270 [0,1,0,0,0,1|1,0,0]=3 442 B11R1.266 O=C(O)C1CCCC(CO)C1 AMY24111 [0,1,0,0,0,1|1,0,0]=3 443 B11R1.15 CCOC(=O)[C@@H]1C[C@@H](C)CN1 AMY14952 [0,2,0,0,0,0|1,0,0]=3 444 B11R1.15 CCOC(=O)[C@@H]1C[C@@H](O)CN1 AM81835 [0,2,0,0,0,0|0,0,0]=2 445 B11R1.15 CCOC(=O)[C@H]1C[C@H](F)CN1 AMY34089 [0,2,0,0,0,0|1,0,0]=3 446 B11R1.866 COC(=O)[C@H]1CC(F)(F)CN1 AMY34132 [0,2,0,0,0,0|1,0,0]=3 447 B11R1.866 COC(=O)[C@H]1CCC(F)(F)C1 AMY26561 [0,2,0,0,0,0|2,0,0]=4 448 B11R1.50 CO[C@@H]1C[C@@H](C(=O)O)N(C)C1 AMY35283 [0,2,0,0,0,0|0,0,0]=2 449 B11R1.175 O=C(O)C1CCC(C(=O)O)C1 AM803857 [0,2,0,0,0,0|1,0,0]=3 450 B11R1.175 O=C(O)C1CCC(C(=O)O)N1 AMY13872 [0,2,0,0,0,0|2,0,0]=4 451 B11R1.175 O=C(O)[C@@H]1CC[C@@H](C(=O)O)N1 AMY13884 [0,2,0,0,0,0|2,0,0]=4 452 B11R1.175 O=C(O)[C@H]1CC[C@@H](C(=O)O)C1 AM9732 [0,2,0,0,0,0|1,0,0]=3 453 B11R1.175 O=C(O)[C@H]1CC[C@H](C(=O)O)C1 AM9726 [0,2,0,0,0,0|1,0,0]=3 454 B11R1.175 O=C(O)[C@H]1CC[C@H](C(=O)O)N1 AMY13833 [0,2,0,0,0,0|2,0,0]=4 455 B9R1.6 CC(=O)[C@@H]1CCCCN1 AM20120390 [0,0,1,1,0,0|2,0,0]=4 456 B9R1.6 NC(=O)[C@@H]1CCCCN1 AMY5796 [0,0,1,1,0,0|2,0,0]=4 457 B9R1.6 NC(=O)[C@@H]1CNCCN1 AM81380 [0,0,1,1,0,0|2,0,0]=4 458 B9R1.6 O=C(O)C1CCCCC1 AM20070525 [0,0,1,1,0,0|2,0,0]=4 459 B9R1.6 O=C(O)[C@@H]1CCCCN1 AM20090026 [0,0,1,1,0,0|1,0,0]=3 460 B9R1.6 O=C(O)[C@@H]1CCCCN1 AM20100254 [0,0,1,1,0,0|1,0,0]=3 461 B9R1.6 O=C(O)[C@@H]1CCCCN1 AM803674 [0,0,1,1,0,0|1,0,0]=3 462 B9R1.6 O=C(O)[C@@H]1CCCCN1 AM90343 [0,0,1,1,0,0|1,0,0]=3 463 B9R1.6 O=C(O)[C@@H]1CCCCO1 AM20100266 [0,0,1,1,0,0|2,0,0]=4 464 B9R1.6 O=C(O)[C@@H]1CCCCO1 AMY34469 [0,0,1,1,0,0|2,0,0]=4 465 B9R1.6 O=C(O)[C@@H]1CNCCN1 AM20080202 [0,0,1,1,0,0|1,0,0]=3 466 B9R1.6 O=C(O)[C@@H]1CNCCN1 AM20080424 [0,0,1,1,0,0|1,0,0]=3 467 B9R1.6 O=C(O)[C@@H]1CNCCN1 AM20090413 [0,0,1,1,0,0|1,0,0]=3 468 B9R1.6 O=C(O)[C@@H]1CNCCN1 AM81366 [0,0,1,1,0,0|1,0,0]=3 469 B9R1.6 O=C(O)[C@@H]1CNCCN1 AM81427 [0,0,1,1,0,0|1,0,0]=3 470 B9R1.6 O=C(O)[C@@H]1CNCCO1 AM20090406 [0,0,1,1,0,0|2,0,0]=4 471 B9R1.6 O=C(O)[C@@H]1COCCN1 AM20100777 [0,0,1,1,0,0|0,0,0]=2 472 B9R1.6 O=C(O)[C@@H]1COCCN1 AMY4263 [0,0,1,1,0,0|0,0,0]=2 473 B9R1.6 O=C(O)[C@@H]1CSCCN1 AMY17808 [0,0,1,1,0,0|0,1,0]=3 474 B9R1.6 O=C(O)[C@H]1CCCCO1 AMY34375 [0,0,1,1,0,0|2,0,0]=4 475 B9R1.6 O=C(O)[C@H]1CCCNC1 AM20090295 [0,0,1,1,0,0|2,0,0]=4 476 B9R1.6 O=C(O)[C@H]1CCCNC1 AM20100216 [0,0,1,1,0,0|2,0,0]=4 477 B9R1.6 O=C(O)[C@H]1CCCNC1 AM83087 [0,0,1,1,0,0|2,0,0]=4 478 B9R1.6 O=C(O)[C@H]1CCCNC1 AMY4228 [0,0,1,1,0,0|2,0,0]=4 479 B9R1.6 O=C(O)[C@H]1CCCOC1 AM20110254 [0,0,1,1,0,0|1,0,0]=3 480 B9R1.6 O=C(O)[C@H]1CCCSC1 AMY34285 [0,0,1,1,0,0|1,1,0]=4 481 B9R1.6 O=C(O)[C@H]1CNCCO1 AMY21768 [0,0,1,1,0,0|2,0,0]=4 482 B9R1.6 O=C(O)[C@H]1COCCN1 AMY20002 [0,0,1,1,0,0|0,0,0]=2 483 B9R1.6 O=C(O)[C@H]1COCCN1 AMY21784 [0,0,1,1,0,0|0,0,0]=2 484 B9R1.112 C[C@H](NC1CC1)C(=O)O AMY11624 [0,0,1,1,0,0|1,0,0]=3 485 B9R1.1 NC[C@H]1CCC(=O)NC1 AMY33863 [0,0,1,1,0,0|2,0,0]=4 486 B9R1.179 NCCC1(C(=O)O)CC1 AMY12280 [0,0,1,1,0,0|2,0,0]=4 487 B9R1.179 NCCC1(C(=O)O)CC1 AMY12315 [0,0,1,1,0,0|2,0,0]=4 488 B9R1.53 NC1CC(CC(=O)O)C1 AM85571 [0,0,1,1,0,0|2,0,0]=4 489 B9R1.53 N[C@H]1C[C@@H](CC(=O)O)C1 AMY34050 [0,0,1,1,0,0|2,0,0]=4 490 B9R2.39 O=C1CC2CCC1C2 AMY10402 [1,0,0,1,0,0|2,0,0]=4 491 B9R2.39 O[C@H]1C[C@@H]2CC[C@H]1N2 AMY35676 [1,0,0,1,0,0|1,0,1]=4 492 B9R2.39 O[C@H]1C[C@H]2CC[C@@H]1N2 AMY35669 [1,0,0,1,0,0|1,0,1]=4 493 B9R2.19 O=C1NCC2CC1N2 AM806533 [0,0,0,1,1,0|2,0,0]=4 494 B9R2.145 O=C(O)C12CC(C1)C2 AMY32624 [0,0,0,1,1,0|1,0,0]=3 495 B11R2.845 O=C(O)C1CC2CCC1C2 AM807074 [0,0,0,1,0,1|2,0,0]=4 496 B11R2.845 O=C(O)C1NC2CCC1C2 AM804478 [0,0,0,1,0,1|2,0,0]=4 497 B11R2.845 O=C(O)[C@@H]1N[C@H]2CC[C@@H]1C2 AMY34352 [0,0,0,1,0,1|2,0,0]=4 498 B11R2.1826 O=C(O)C12CC(CCN1)C2 AMY34716 [0,0,0,1,0,1|1,0,0]=3 499 B11R2.738 O=C1NC2CC1C(O)C2O AMY27794 [0,1,0,1,0,0|2,0,0]=4 500 B11R2.738 O=C1N[C@@H]2C[C@H]1[C@@H](O)[C@H]2O AMY27789 [0,1,0,1,0,0|2,0,0]=4 501 B11R2.914 COC(=O)C1CC2OC2C1 AMY35374 [0,1,0,1,0,0|1,0,0]=3 502 B11R2.914 COC(=O)[C@@H]1C[C@@H]2O[C@@H]2C1 AMY35288 [0,1,0,1,0,0|1,0,0]=3 503 B7R0.16 C=C(C)[C@@H](N)C(=O)O AMY23937 [0,0,1,0,1,0|1,0,1]=4 504 B7R0.16 CC(C)[C@H](Br)C(=O)O AMY13608 [0,0,1,0,1,0|2,0,0]=4 505 B7R0.16 CC(C)[C@H](Cl)C(=O)O AM9806 [0,0,1,0,1,0|2,0,0]=4 506 B7R0.16 CC(C)[C@H](N)C(=O)O AM82362 [0,0,1,0,1,0|1,0,0]=3 507 B7R0.16 CC(C)[C@H](N)C(=O)O AM82363 [0,0,1,0,1,0|1,0,0]=3 508 B7R0.16 CC(C)[C@H](N)C(=O)O AM82364 [0,0,1,0,1,0|1,0,0]=3 509 B7R0.16 CC(C)[C@H](N)C(N)=O AM82387 [0,0,1,0,1,0|2,0,0]=4 510 B7R0.16 CC(C)[C@H](O)C(=O)O AMY22056 [0,0,1,0,1,0|2,0,0]=4 511 B7R0.16 CC(O)C(N)C(=O)O AMY25310 [0,0,1,0,1,0|0,0,0]=2 512 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O AM20100684 [0,0,1,0,1,0|0,0,0]=2 513 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O AM82240 [0,0,1,0,1,0|0,0,0]=2 514 B7R0.16 C[C@@H](O)[C@H](N)C(N)=O AM82268 [0,0,1,0,1,0|1,0,0]=3 515 B7R0.16 C[C@H](O)[C@H](N)C(=O)O AM20090281 [0,0,1,0,1,0|0,0,0]=2 516 B7R0.16 C[C@H](O)[C@H](N)C(=O)O AM82272 [0,0,1,0,1,0|0,0,0]=2 517 B7R0.16 NC(C(=O)O)C(=O)O AMY22121 [0,0,1,0,1,0|1,0,1]=4 518 B7R1.10 C=C1CC(C=O)C1 AM84292 [1,0,0,0,1,0|1,0,1]=4 519 B7R1.10 CNC1CC(O)C1 AMY33649 [1,0,0,0,1,0|2,0,0]=4 520 B7R1.10 COC1CC(O)C1 AMY41129 [1,0,0,0,1,0|2,0,0]=4 521 B7R1.10 N#CC1CC(O)C1 AMY34857 [1,0,0,0,1,0|1,0,1]=4 522 B7R1.10 N#C[C@H]1C[C@H](O)C1 AMY35861 [1,0,0,0,1,0|1,0,1]=4 523 B7R1.10 NC1CC(CO)C1 AMY32100 [1,0,0,0,1,0|1,0,1]=4 524 B7R1.10 NCC1CC(O)C1 AMY33634 [1,0,0,0,1,0|1,0,1]=4 525 B7R1.10 NC[C@H]1C[C@@H](O)C1 AM20070628 [1,0,0,0,1,0|1,0,1]=4 526 B7R1.10 N[C@H]1C[C@@H](CO)C1 AM807011 [1,0,0,0,1,0|1,0,1]=4 527 B7R1.10 O=CC1CC(F)C1 AM85365 [1,0,0,0,1,0|1,0,0]=3 528 B7R1.10 OCC1CC(F)C1 AM85531 [1,0,0,0,1,0|1,0,1]=4 529 B7R1.10 OCC1CC(O)C1 AM85526 [1,0,0,0,1,0|0,0,1]=3 530 B7R1.18 C[C@H](O)C1CCC1 AMY16099 [1,0,0,0,1,0|1,0,1]=4 531 B7R1.18 NC(=O)C1CCC1 AMY32785 [1,0,0,0,1,0|1,0,0]=3 532 B7R1.18 NC(=O)C1CNC1 AM20100716 [1,0,0,0,1,0|2,0,0]=4 533 B7R1.18 NC(=O)C1CNC1 AMY34027 [1,0,0,0,1,0|2,0,0]=4 534 B7R1.18 NC(=O)[C@@H]1CCN1 AMY38555 [1,0,0,0,1,0|1,0,0]=3 535 B7R1.18 O=C(O)C1CCC1 AM62800 [1,0,0,0,1,0|0,0,0]=2 536 B7R1.18 O=C(O)C1CNC1 AM20090582 [1,0,0,0,1,0|1,0,0]=3 537 B7R1.18 O=C(O)C1CNC1 AMY4825 [1,0,0,0,1,0|1,0,0]=3 538 B7R1.18 O=C(O)C1COC1 AM84264 [1,0,0,0,1,0|1,0,0]=3 539 B7R1.18 O=C(O)C1CSC1 AM20100754 [1,0,0,0,1,0|1,0,0]=3 540 B7R1.18 O=C(O)[C@@H]1CCN1 AM20090145 [1,0,0,0,1,0|0,0,0]=2 541 B7R1.18 O=C(O)[C@@H]1CCN1 AM20090185 [1,0,0,0,1,0|0,0,0]=2 542 B7R1.18 O=C(O)[C@@H]1CCN1 AM20100766 [1,0,0,0,1,0|0,0,0]=2 543 B7R1.18 O=C(O)[C@@H]1CCO1 AM20020050 [1,0,0,0,1,0|1,0,0]=3 544 B7R1.18 O=[N+]([O-])C1CCC1 AMY18168 [1,0,0,0,1,0|1,0,1]=4 545 B7R1.18 OB(O)C1CCC1 AMY30001 [1,0,0,0,1,0|1,0,1]=4 546 B7R1.12 CC1CC1C(=O)O AM803649 [0,0,0,0,2,0|1,0,0]=3 547 B7R1.12 CC1CC1C(N)=O AMY5644 [0,0,0,0,2,0|2,0,0]=4 548 B7R1.12 C[C@@H]1C[C@H]1C(=O)O AMY35644 [0,0,0,0,2,0|1,0,0]=3 549 B7R1.12 O=C(O)C1CC1F AMY5778 [0,0,0,0,2,0|1,0,0]=3 550 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F AMY5475 [0,0,0,0,2,0|1,0,0]=3 551 B7R1.12 O=C(O)[C@H]1C[C@@H]1F AM85620 [0,0,0,0,2,0|1,0,0]=3 552 B7R1.12 O=C(O)[C@H]1C[C@@H]1F AM85621 [0,0,0,0,2,0|1,0,0]=3 553 B7R1.12 O=C(O)[C@H]1C[C@H]1F AM85536 [0,0,0,0,2,0|1,0,0]=3 554 B7R1.12 O=C(O)[C@H]1C[C@H]1I AMY5812 [0,0,0,0,2,0|1,0,0]=3 555 B9R0.55 CC(C)CCOCC(=O)O AMY15507 [0,0,1,0,0,1|2,0,0]=4 556 B9R1.13 O=C(O)CC1CCCC1 AMY18728 [1,0,0,0,0,1|1,0,0]=3 557 B9R1.13 O=C(O)CN1CCCC1 AM803802 [1,0,0,0,0,1|2,0,0]=4 558 B9R1.13 O=C(O)C[C@@H]1CCCN1 AMY28614 [1,0,0,0,0,1|0,0,0]=2 559 B9R1.13 O=C(O)C[C@@H]1CCNC1 AMY25039 [1,0,0,0,0,1|2,0,0]=4 560 B9R1.13 O=C(O)C[C@H]1CCCO1 AMY37705 [1,0,0,0,0,1|1,0,0]=3 561 B9R1.13 O=C(O)C[C@H]1CCNC1 AM20120287 [1,0,0,0,0,1|2,0,0]=4 562 B9R1.13 O=C(O)C[C@H]1CCOC1 AM20080284 [1,0,0,0,0,1|2,0,0]=4 563 B11R1.20 O=C(O)CN1CCC(O)CC1 AM100342 [0,0,0,0,0,2|2,0,0]=4 564 B11R1.157 O=C(O)CN1CCC[C@H](O)C1 AM91165 [0,0,0,0,0,2|2,0,0]=4 565 B11R1.157 O=C(O)CN1CCC[C@H](O)C1 AM95628 [0,0,0,0,0,2|2,0,0]=4 566 B11R1.157 O=C(O)CN1CCC[C@H](O)C1 AM95842 [0,0,0,0,0,2|2,0,0]=4