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B11R0.4 CCCC(C)NCCCCCCl 33ab14a058e1fcef505e067708d53a82 [0,0,0,0,0,0|3,0,1]=4 179 B11R0.4 CCCC(C)NCCCCCF 7e37d4d8d8ebc575a7c6db7941f6ab9f [0,0,0,0,0,0|3,0,1]=4 180 B11R0.4 CCCC(C)NCCCCCO 42022f2d2382cced620bf4dacd7724d2 [0,0,0,0,0,0|3,0,1]=4 181 B11R0.4 CCCC(C)NCCCCOC 934ef2763cda7c5fece951ace8f4829f [0,0,0,0,0,0|3,0,1]=4 182 B11R0.4 CCCC(C)NCCCCSC 4266871fed6295ebdbb3f579393bc35a [0,0,0,0,0,0|3,0,1]=4 183 B11R0.4 CCCC(C)NCCCOCC df05e9177587024561c74ae1a3207ada [0,0,0,0,0,0|3,0,1]=4 184 B11R0.4 CCCC(C)NCCCSCC 5ed3ec64e5893ad83461ead76da5ccf5 [0,0,0,0,0,0|3,0,1]=4 185 B11R0.4 CCCC(C)OCCCCC#N 0495568ea1029a22b9c110e94f89a661 [0,0,0,0,0,0|2,0,2]=4 186 B11R0.4 CCCC(C)OCCCCC=O c0220f3208498b671494edc7dc378c36 [0,0,0,0,0,0|2,0,2]=4 187 B11R0.4 CCCC(C)OCCCCCF 4da4ce03e76be5a5169cbc6bf5161b81 [0,0,0,0,0,0|2,0,1]=3 188 B11R0.4 CCCC(C)OCCCCOC 623038ded2cd908bf44b18471915e504 [0,0,0,0,0,0|2,0,1]=3 189 B11R0.4 CCCC(C)OCCCCSC 7e09152fdbbfecdc423fd28ee6f4342f [0,0,0,0,0,0|2,0,1]=3 190 B11R0.4 CCCC(C)OCCCOCC 01c338ca32fc1899c11db4908d4e8a0f [0,0,0,0,0,0|2,0,1]=3 191 B11R0.4 CCCC(C)OCCCSCC c67e99144cb2114dfb09b937310057f9 [0,0,0,0,0,0|2,0,1]=3 192 B11R0.4 CCCC(C)OCCOCCF 5dd3141695e7b105e3a29c878e758ca4 [0,0,0,0,0,0|3,0,1]=4 193 B11R0.4 CCCC(C)OCCOCCS f4206bcf36c5bb330be14bc894c32da8 [0,0,0,0,0,0|3,0,1]=4 194 B11R0.4 CCCC(C)OCCOCOC 9cb1dd6e5650b22458448c6bff00ae12 [0,0,0,0,0,0|3,0,1]=4 195 B11R0.4 CCCC(C)OCOCCOC 5037c47eaee500e588cdafe97b55a216 [0,0,0,0,0,0|3,0,1]=4 196 B11R0.4 CCCCCCCC(=O)NC#N df7abb6ddc6eb1895b480e1234379408 [0,0,0,0,0,0|3,0,1]=4 197 B11R0.4 CCCCCCCC(C)OCC 55dc2743b0b446cf9a6056de2b74c617 [0,0,0,0,0,0|3,0,1]=4 198 B11R0.4 CCCCCCCN(C)CCC 42b62aaf36e74de6c1558dc7962934ed [0,0,0,0,0,0|3,0,0]=3 199 B11R0.4 CCCCCCCN(C)CCF db1f8e1b926d439bcb75670beb422b85 [0,0,0,0,0,0|4,0,0]=4 200 B11R0.4 CCCCCCCN(C)CCO 4b82b57c2e27ee478b4db099376fba2f [0,0,0,0,0,0|4,0,0]=4 201 B11R0.4 CCCCCCCN(C)CCS b2240761ced255748476441b558b3f51 [0,0,0,0,0,0|4,0,0]=4 202 B11R0.4 CCCCCCCN(C)COC 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B11R0.4 CCCCCCNC(C)COC b30472eb7a71a526e25a1657ace844a6 [0,0,0,0,0,0|3,0,1]=4 227 B11R0.4 CCCCCCN[C@@H](C)CCC 9e551837f3d2e34034ae13f2ada41469 [0,0,0,0,0,0|2,0,1]=3 228 B11R0.4 CCCCCCN[C@@H](C)CCO ef20604c1d13846f7a5ae7f726081f93 [0,0,0,0,0,0|3,0,1]=4 229 B11R0.4 CCCCCCN[C@@H](C)COC af42f1ac714ecf475c2cc8e369f95e1d [0,0,0,0,0,0|3,0,1]=4 230 B11R0.4 CCCCCCN[C@H](C)CCO d0862c4bfa9c321df31f29a6ac758d6b [0,0,0,0,0,0|3,0,1]=4 231 B11R0.4 CCCCCCN[C@H](C)COC 43fd59b6b2050599d7c77580a72b29e0 [0,0,0,0,0,0|3,0,1]=4 232 B11R0.4 CCCCCCOC(=S)CCC ebc5344eafa6dd48024f5c5c5e052730 [0,0,0,0,0,0|0,1,0]=1 233 B11R0.4 CCCCCCOC(C)CC#N a327f9822ffe78fa2d89125df2bb8680 [0,0,0,0,0,0|2,0,2]=4 234 B11R0.4 CCCCCCOC(C)CCC cea4e96bc53eba73e0ac0d9156eceb52 [0,0,0,0,0,0|1,0,1]=2 235 B11R0.4 CCCCCCOC(C)COC 0a2c46151a842c0a8316d557e607046e [0,0,0,0,0,0|2,0,1]=3 236 B11R0.4 CCCCCCOC(C)CSC fe4e3dcaf8f7e4380a9442a63453b639 [0,0,0,0,0,0|2,0,1]=3 237 B11R0.4 CCCCCCO[C@@H](C)CC#N d31c954eacca45821743d47d46547f25 [0,0,0,0,0,0|2,0,2]=4 238 B11R0.4 CCCCCCO[C@@H](C)CCC cefe966dfbc957ea180b07a37145634e [0,0,0,0,0,0|1,0,1]=2 239 B11R0.4 CCCCCCO[C@@H](C)COC ad5ca165c625a8d30ea6f3b7e3544f87 [0,0,0,0,0,0|2,0,1]=3 240 B11R0.4 CCCCCCO[C@H](C)CC#N a58da1cfab8a67cdf17940c3424cb2e1 [0,0,0,0,0,0|2,0,2]=4 241 B11R0.4 CCCCCCO[C@H](C)CCC 383ab7bdac9ecd3e781dc6eb08bc1705 [0,0,0,0,0,0|1,0,1]=2 242 B11R0.4 CCCCCCO[C@H](C)COC 00df1469b8da9a805d5461f42fa6023c [0,0,0,0,0,0|2,0,1]=3 243 B11R0.4 CCCCCNCC(=O)CCC 5c0a36c9da6990262983584768700e06 [0,0,0,0,0,0|2,0,0]=2 244 B11R0.4 CCCCCNCC(=O)COC 502d17c7ceaf127c86a16e7809b966c6 [0,0,0,0,0,0|3,0,0]=3 245 B11R0.4 CCCCCNCC(=O)NCC 8d174055167832aa82e7a62942ebadb3 [0,0,0,0,0,0|3,0,0]=3 246 B11R0.4 CCCCCNCC(=O)NCO aaf498b21bb4f2353489f1e4167ee52e [0,0,0,0,0,0|4,0,0]=4 247 B11R0.4 CCCCCNCC(=O)OCC 4304655bf379f4366dd088701cf7e21c [0,0,0,0,0,0|3,0,0]=3 248 B11R0.4 CCCCCNCC(C)CCC 6d31555560d55039d0b3f1326793fe29 [0,0,0,0,0,0|3,0,1]=4 249 B11R0.4 CCCCCNCC(O)CCC 6fb3e4f64de8bdbce13ab483fc3e7540 [0,0,0,0,0,0|2,0,2]=4 250 B11R0.4 CCCCCOCC(=O)CCC 8262177c32a9450a29113f02c3e40c8e [0,0,0,0,0,0|2,0,0]=2 251 B11R0.4 CCCCCOCC(=O)NCC 7e231127cc82282dbbf3308dc7e1564c [0,0,0,0,0,0|3,0,0]=3 252 B11R0.4 CCCCCOCC(=O)OCC f64a848703599a93df3dbf25be548f27 [0,0,0,0,0,0|3,0,0]=3 253 B11R0.4 CCCCCOCC(C)CCC 1f36716bae62124915274758b1ca904a [0,0,0,0,0,0|3,0,1]=4 254 B11R0.4 CCCCNCCC(=O)NCC 7c1ce674cd02b76f256893a6da664746 [0,0,0,0,0,0|3,0,0]=3 255 B11R0.4 CCCCNCCC(=O)OCC dc7dea90b346ecbda1f0d157b0c94f32 [0,0,0,0,0,0|3,0,0]=3 256 B11R0.4 CCCCNCOC(=O)CCC cc2e2e110e13b6e9f5212bb3d4681698 [0,0,0,0,0,0|1,0,0]=1 257 B11R0.4 CCCCNCOC(=O)OCC ca409d7539df0c74dbd07384dd478520 [0,0,0,0,0,0|2,0,0]=2 258 B11R0.4 CCCCNCOC(=O)SCC 2bb2d25fa2ef25941c49a8e888b29c57 [0,0,0,0,0,0|2,0,0]=2 259 B11R0.4 CCCCOCCC(=O)NCC 2cf33a536e71aa672563b2e6c9b353ba [0,0,0,0,0,0|3,0,0]=3 260 B11R0.4 CCCCOCCC(=O)OCC 95ad894d01602c07de1d2b4aae4a0e6e [0,0,0,0,0,0|3,0,0]=3 261 B11R0.4 CCCCOCCC(C)CCC 418b690c6d2fa614cbcb46958f840609 [0,0,0,0,0,0|3,0,1]=4 262 B11R0.4 CCCCOCCC(S)CCC fced6969366cebe3ae9b1440202c0c65 [0,0,0,0,0,0|2,1,1]=4 263 B11R0.4 CCCCOCCN(C)CCC 27d76c00867eab3ac8a5b5b688fbe418 [0,0,0,0,0,0|4,0,0]=4 264 B11R0.4 CCCCOCNC(C)CCC 185c7cbc311f48390b42bd1068d66d9e [0,0,0,0,0,0|3,0,1]=4 265 B11R0.4 CCCCOCN[C@@H](C)CCC 0e22b32d8d5a9ad843e0b3ba7d6f7683 [0,0,0,0,0,0|3,0,1]=4 266 B11R0.4 CCCCOCOC(=O)CCC b2403cfdcf9e3272dd7d915ff636f487 [0,0,0,0,0,0|1,0,0]=1 267 B11R0.4 CCCCOCOC(=O)OCC f9445a123e97e58df2bd304b13c696ca [0,0,0,0,0,0|2,0,0]=2 268 B11R0.4 CCCCOCOC(=O)SCC 9fbe2d42309e989a4135a7d0aa7273eb [0,0,0,0,0,0|2,0,0]=2 269 B11R0.4 CCCCOCOC(=S)CCC c21ba10898477f356b122da4cbbceb6f [0,0,0,0,0,0|1,1,0]=2 270 B11R0.4 CCCCOCOC(C)CCC 0a4bb62dbc4cfedab12fd971dbe21ee1 [0,0,0,0,0,0|2,0,1]=3 271 B11R0.4 CCCCOCOC(C)COC 9e6342bedd4eb0c80223b1554d4ec5c7 [0,0,0,0,0,0|3,0,1]=4 272 B11R0.4 CCCCOCOC(C)CSC e90630574e7557b722cc0dcd19f6c328 [0,0,0,0,0,0|3,0,1]=4 273 B11R0.4 CCCCOCO[C@@H](C)CCC 3ae7f2326c6dcb1799bf845878cdbc74 [0,0,0,0,0,0|2,0,1]=3 274 B11R0.4 CCCCOCO[C@@H](C)COC 716607277c7a561d3f87f867e3b0710f [0,0,0,0,0,0|3,0,1]=4 275 B11R0.4 CCCCOCO[C@H](C)CCC 4c7bf02695cb84868576521334a48dd0 [0,0,0,0,0,0|2,0,1]=3 276 B11R0.4 CCCCOCO[C@H](C)COC e79b9b6cd73fdc328389db8cc4c84e9f [0,0,0,0,0,0|3,0,1]=4 277 B11R0.4 CCCN(C)CCCCCCF a601c857b4403d63cc5d582bc896bcaa [0,0,0,0,0,0|4,0,0]=4 278 B11R0.4 CCCN(C)CCCCCCO 7b2e6e9a2805e1f19dc02fa5859816c2 [0,0,0,0,0,0|4,0,0]=4 279 B11R0.4 CCCN(C)CCCCCOC 17a2722347627b071daca0384c1b1f44 [0,0,0,0,0,0|4,0,0]=4 280 B11R0.4 CCCNC/C=C/C(=O)OCC 9227ee03ea2d9d1e18a696527b8f47b5 [0,0,0,0,0,0|3,0,1]=4 281 B11R0.4 CCCNCC=CC(=O)OCC efd51b76be9a7133b70c19081424ce13 [0,0,0,0,0,0|3,0,1]=4 282 B11R0.4 CCCNCCCC(=O)OCC f6461f8e22f3d933186943d4b183108e [0,0,0,0,0,0|3,0,0]=3 283 B11R0.4 CCCOC/C=C/C(=O)OCC eb2db8ead3cadf07a1fb09848b46fde0 [0,0,0,0,0,0|3,0,1]=4 284 B11R0.4 CCCOCC#CC(=O)OCC 9f2ce8ce08fcd592a9f55aedb9f23f85 [0,0,0,0,0,0|3,0,1]=4 285 B11R0.4 CCCOCC=CC(=O)OCC db7b1613a79a54a86c235feccadf2aff [0,0,0,0,0,0|3,0,1]=4 286 B11R0.4 CCCOCCCC(=O)OCC 44f3c08715c24b28a3685ca7f9c36e30 [0,0,0,0,0,0|3,0,0]=3 287 B11R0.4 CCCOCCCC(C)CCC a53b5c18543174a41f05c1546d98d86e [0,0,0,0,0,0|3,0,1]=4 288 B11R0.4 CCCOCCCN(C)CCC 902a46893d5befbfbf4388d5ee902c10 [0,0,0,0,0,0|4,0,0]=4 289 B11R0.4 CCCOCCNC(=O)CC#N 90f94545c2fd5f5f89c0686df57d1c9f [0,0,0,0,0,0|3,0,1]=4 290 B11R0.4 CCCOCCNC(=O)CC=O 1794d59db3e03926cabc8d046b49f050 [0,0,0,0,0,0|3,0,1]=4 291 B11R0.4 CCCOCCNC(=O)CCC 95c055b4347bfd7bfa9c570d9719ea75 [0,0,0,0,0,0|2,0,0]=2 292 B11R0.4 CCCOCCNC(=O)CCF 784976a9f6c554bfef5890d22be8c3ae [0,0,0,0,0,0|3,0,0]=3 293 B11R0.4 CCCOCCNC(=O)CCO 6d308239c94ac8e860e2d79889c8facb [0,0,0,0,0,0|3,0,0]=3 294 B11R0.4 CCCOCCNC(=O)CCS 0b663011faafdf6c4131448ce79c937a [0,0,0,0,0,0|3,0,0]=3 295 B11R0.4 CCCOCCNC(=O)COC 6067c71ef34c0399492ad8122c06202c [0,0,0,0,0,0|3,0,0]=3 296 B11R0.4 CCCOCCNC(=O)CON a7918d286952c9dd1f121c3571c9c3dc [0,0,0,0,0,0|4,0,0]=4 297 B11R0.4 CCCOCCNC(=O)CSC 6996763b3846009de64b111c96742018 [0,0,0,0,0,0|3,0,0]=3 298 B11R0.4 CCCOCCNC(C)CCC 31e8d7c8653fe82d02ce2954b5bcd9ab [0,0,0,0,0,0|3,0,1]=4 299 B11R0.4 CCCOCCN[C@@H](C)CCC d1698bdebe5ab6544c48057e9e0adf00 [0,0,0,0,0,0|3,0,1]=4 300 B11R0.4 CCCOCCOC(=O)CCC 94efe85d85fae3af0976a73792f0222f [0,0,0,0,0,0|1,0,0]=1 301 B11R0.4 CCCOCCOC(=S)CCC 95a4dad7fc3b1d357922e071080ce62e [0,0,0,0,0,0|1,1,0]=2 302 B11R0.4 CCCOCCOC(C)CCC 0718f8788045b926ec65216173e53bce [0,0,0,0,0,0|2,0,1]=3 303 B11R0.4 CCCOCCOC(C)COC cec5c66a369cad4235e8aa9e9b8a796d [0,0,0,0,0,0|3,0,1]=4 304 B11R0.4 CCCOCCOC(C)CSC 70a657ea0fecb74167fdc2758b57d321 [0,0,0,0,0,0|3,0,1]=4 305 B11R0.4 CCCOCCO[C@@H](C)CCC 42bbc03cca2630aa13580adad71d1be6 [0,0,0,0,0,0|2,0,1]=3 306 B11R0.4 CCCOCCO[C@@H](C)COC a6157ed930c35332a3027c7c7d259ba7 [0,0,0,0,0,0|3,0,1]=4 307 B11R0.4 CCCOCCO[C@H](C)CCC 28ee10e8884a7bb06ea5329ce5b20582 [0,0,0,0,0,0|2,0,1]=3 308 B11R0.4 CCCOCCO[C@H](C)COC 47c57d860028f2344e3996a8f123f214 [0,0,0,0,0,0|3,0,1]=4 309 B11R0.4 CCCSCCOC(C)CCC 17743df72a9dba4df426cc8297e4d5b2 [0,0,0,0,0,0|2,0,1]=3 310 B11R0.4 CCCSCCOC(C)COC dc324b16b3a143519ca5152c7dda0db4 [0,0,0,0,0,0|3,0,1]=4 311 B11R0.4 CCC[C@@H](C)OCCCCC#N 76dc9094b81c35aec3cebeb601296910 [0,0,0,0,0,0|2,0,2]=4 312 B11R0.4 CCC[C@@H](C)OCCCCC=O 033210babc7ebfe5abe9bcc3934a56ae [0,0,0,0,0,0|2,0,2]=4 313 B11R0.4 CCC[C@@H](C)OCCCCCF 59e159490da5ab17ab8d2a0f32480be8 [0,0,0,0,0,0|2,0,1]=3 314 B11R0.4 CCC[C@@H](C)OCCCCOC 629efafb6735378a7f4ed1f3be5e2919 [0,0,0,0,0,0|2,0,1]=3 315 B11R0.4 CCC[C@@H](C)OCCCOCC 1e53ecf5115d81f9df80c3e1d1926c21 [0,0,0,0,0,0|2,0,1]=3 316 B11R0.4 CCC[C@@H](C)OCCCSCC cd562550a503eed8476b3f81d5633369 [0,0,0,0,0,0|2,0,1]=3 317 B11R0.4 CCC[C@@H](C)OCCOCOC 67ce7158d410898615809b6eb2fb2040 [0,0,0,0,0,0|3,0,1]=4 318 B11R0.4 CCC[C@@H](C)OCOCCOC 3ca4f544a0d5e7c691405f753dfe09a4 [0,0,0,0,0,0|3,0,1]=4 319 B11R0.4 CCC[C@H](C)NCCCCCF 2bbe48de21957a7e0abb89e304291bbe [0,0,0,0,0,0|3,0,1]=4 320 B11R0.4 CCC[C@H](C)NCCCCCO 9145428cec86525735d1e0f47d1ced44 [0,0,0,0,0,0|3,0,1]=4 321 B11R0.4 CCC[C@H](C)NCCCCOC 9833bb351d8689497c469a9016668ef3 [0,0,0,0,0,0|3,0,1]=4 322 B11R0.4 CCC[C@H](C)NCCCOCC 0d95e53020889f27f221de40f41e5453 [0,0,0,0,0,0|3,0,1]=4 323 B11R0.4 CCC[C@H](C)NCCCSCC 18cc66a8ba46586d83e512575401b552 [0,0,0,0,0,0|3,0,1]=4 324 B11R0.4 CCC[C@H](C)OCCCCC#N 3dbeb60574c991df86d8044e6672f92b [0,0,0,0,0,0|2,0,2]=4 325 B11R0.4 CCC[C@H](C)OCCCCC=O 7227fc07ecb170decb561add9373e421 [0,0,0,0,0,0|2,0,2]=4 326 B11R0.4 CCC[C@H](C)OCCCCCF cab5e6c0db3ebbd4ff89649a43a82ddd [0,0,0,0,0,0|2,0,1]=3 327 B11R0.4 CCC[C@H](C)OCCCCOC bd1318dc989f36034fec620f437bf532 [0,0,0,0,0,0|2,0,1]=3 328 B11R0.4 CCC[C@H](C)OCCCOCC a00fa3182be3ac26a6996d18666edffa [0,0,0,0,0,0|2,0,1]=3 329 B11R0.4 CCC[C@H](C)OCCCSCC 391aa571532fdb69042ce571d91e647d [0,0,0,0,0,0|2,0,1]=3 330 B11R0.4 CCC[C@H](C)OCCOCOC c3a0b1e01e064d9e7b6b46ccf64563ec [0,0,0,0,0,0|3,0,1]=4 331 B11R0.4 CCC[C@H](C)OCOCCOC 9a2c5b044261d725270d95b9fced51ce [0,0,0,0,0,0|3,0,1]=4 332 B11R0.4 CCNC(=O)CCNCCCCl 239ec7f962e67f16d9e86beea403df9f [0,0,0,0,0,0|4,0,0]=4 333 B11R0.4 CCNC(=O)CCNCCCO 1907e010da6f85eee7e5206941d1acbc [0,0,0,0,0,0|4,0,0]=4 334 B11R0.4 CCNC(=O)CCNCCOC 2a40ac8e37c41f3c5eb1c4f2741adc1e [0,0,0,0,0,0|4,0,0]=4 335 B11R0.4 CCNC(=O)CCNCCSC 7df7f54e9d458709c585256c5ef5b446 [0,0,0,0,0,0|4,0,0]=4 336 B11R0.4 CCNC(=O)CCOCCCF b6ee2c391d4b62370c7abdd303507ede [0,0,0,0,0,0|4,0,0]=4 337 B11R0.4 CCNC(=O)CCOCCCS 702465c093be781a6054e5bc985bee27 [0,0,0,0,0,0|4,0,0]=4 338 B11R0.4 CCNC(=O)CCOCCOC 5fad450ddee06ba16e4d1593ea819f1b [0,0,0,0,0,0|4,0,0]=4 339 B11R0.4 CCNC(=O)CCOCCSC d94fe0c1fb6d5ec136edfcb9404e797a [0,0,0,0,0,0|4,0,0]=4 340 B11R0.4 CCNC(=O)CNCCCCCl 2c741f65a4ddc84f36f48340c60841fa [0,0,0,0,0,0|4,0,0]=4 341 B11R0.4 CCNC(=O)CNCCCCF d7ff0d8def61bd465e79122b9fda94c3 [0,0,0,0,0,0|4,0,0]=4 342 B11R0.4 CCNC(=O)CNCCCCO 311d18be60be25a5eec54d328336a9aa [0,0,0,0,0,0|4,0,0]=4 343 B11R0.4 CCNC(=O)CNCCCCS bf77ec72f44ae6651fb9f8e84d58bffe [0,0,0,0,0,0|4,0,0]=4 344 B11R0.4 CCNC(=O)CNCCCOC e3320ba4e42b3b4f19d120952c52dbcd [0,0,0,0,0,0|4,0,0]=4 345 B11R0.4 CCNC(=O)CNCCCSC 152709079d3eac8e905922189201639f [0,0,0,0,0,0|4,0,0]=4 346 B11R0.4 CCNC(=O)CNCCOCC 5054eaddee45e00aa8ca2a4e5ad2b7cb [0,0,0,0,0,0|4,0,0]=4 347 B11R0.4 CCNC(=O)CNCCSCC f10b6e80e416499fd1717e9f956611bf [0,0,0,0,0,0|4,0,0]=4 348 B11R0.4 CCNC(=O)COCCCCF 4f3e59fe792a1e2231e0ddd56f31044d [0,0,0,0,0,0|4,0,0]=4 349 B11R0.4 CCNC(=O)COCCCCS 3a913aaba736c6d870947a80d041d880 [0,0,0,0,0,0|4,0,0]=4 350 B11R0.4 CCNC(=O)COCCCOC c022c25bcb9ab83afb1bab76d4958aa0 [0,0,0,0,0,0|4,0,0]=4 351 B11R0.4 CCNC(=O)COCCCSC e5803c04a5b50643a72be8ad1dae0cda [0,0,0,0,0,0|4,0,0]=4 352 B11R0.4 CCNC(=O)COCCOCC f5273a02be122109aa563b91255aa24f [0,0,0,0,0,0|4,0,0]=4 353 B11R0.4 CCNC(=O)COCCSCC 877ab42063e372e9088e987259034e7e [0,0,0,0,0,0|4,0,0]=4 354 B11R0.4 CCNCCCCS(=O)CCO 76bcafe4a552308121ef9178c2962f25 [0,0,0,0,0,0|4,0,0]=4 355 B11R0.4 CCOC(=O)CCCCOCF 1e1261add10b19284371a248568d711b [0,0,0,0,0,0|4,0,0]=4 356 B11R0.4 CCOC(=O)CCCNCCBr 60bcbe922041739189bc281fb6a2bb23 [0,0,0,0,0,0|4,0,0]=4 357 B11R0.4 CCOC(=O)CCCNCCF a8ca23c887e3f27d9ce4ce70ce8ce85c [0,0,0,0,0,0|4,0,0]=4 358 B11R0.4 CCOC(=O)CCCNCCI 4edd1ec513d467813532911b2cbedef7 [0,0,0,0,0,0|4,0,0]=4 359 B11R0.4 CCOC(=O)CCCNCCO 6cab9fdd8c1a3159e64bec0608483f43 [0,0,0,0,0,0|4,0,0]=4 360 B11R0.4 CCOC(=O)CCCNCCS bf3d906c2feaf34f02a7b4012db66253 [0,0,0,0,0,0|4,0,0]=4 361 B11R0.4 CCOC(=O)CCCNCOC 09a4cb9ed4f5f8b605e172f8b0db0671 [0,0,0,0,0,0|4,0,0]=4 362 B11R0.4 CCOC(=O)CCCNCSC d614302bf0ca880f0177d2ffc0476d8a [0,0,0,0,0,0|4,0,0]=4 363 B11R0.4 CCOC(=O)CCCOCCF 909acc390bbb1ceea04a19919f52152b [0,0,0,0,0,0|4,0,0]=4 364 B11R0.4 CCOC(=O)CCCOCCS 78b20295e211bf8850dff862a4729f37 [0,0,0,0,0,0|4,0,0]=4 365 B11R0.4 CCOC(=O)CCCOCOC 5bf104d8710e6b32f35db6c9e133e980 [0,0,0,0,0,0|4,0,0]=4 366 B11R0.4 CCOC(=O)CCCOCSC a236b3de67b8591907dc1349d6aacabc [0,0,0,0,0,0|4,0,0]=4 367 B11R0.4 CCOC(=O)CCNCCCCl a89c084bdffb1d422d065823b9073077 [0,0,0,0,0,0|4,0,0]=4 368 B11R0.4 CCOC(=O)CCNCCCF 70a1dc79e0e4bc47520362815d5c0544 [0,0,0,0,0,0|4,0,0]=4 369 B11R0.4 CCOC(=O)CCNCCCO 51aaffebe3df7434f9d32c43a0c6dace [0,0,0,0,0,0|4,0,0]=4 370 B11R0.4 CCOC(=O)CCNCCCS 5bcc16b3c3f0425f0080dc188f736d03 [0,0,0,0,0,0|4,0,0]=4 371 B11R0.4 CCOC(=O)CCNCCOC 1c46d7d7fb66a967176c3228bbbad3fb [0,0,0,0,0,0|4,0,0]=4 372 B11R0.4 CCOC(=O)CCNCCSC aa9be64800f205656b7a4f74e69a29d3 [0,0,0,0,0,0|4,0,0]=4 373 B11R0.4 CCOC(=O)CCOCCCF a7be7eb6d4bf413eef8e017143e3f700 [0,0,0,0,0,0|4,0,0]=4 374 B11R0.4 CCOC(=O)CCOCCCS f6284e96b38ea040626353532b55676c [0,0,0,0,0,0|4,0,0]=4 375 B11R0.4 CCOC(=O)CCOCCOC 5eab465898645a5ae67f5c769be3f00c [0,0,0,0,0,0|4,0,0]=4 376 B11R0.4 CCOC(=O)CCOCCSC cba55ac5252fa9caa5a0ba30c08c4f44 [0,0,0,0,0,0|4,0,0]=4 377 B11R0.4 CCOC(=O)CNCCCCCl 296a499f8be352bf681ae9c7effc53de [0,0,0,0,0,0|4,0,0]=4 378 B11R0.4 CCOC(=O)CNCCCCF f53911aa8d81b2451a539d276eea2100 [0,0,0,0,0,0|4,0,0]=4 379 B11R0.4 CCOC(=O)CNCCCCO 5567fb2e0fc75fd72e36e84016c9b7ee [0,0,0,0,0,0|4,0,0]=4 380 B11R0.4 CCOC(=O)CNCCCCS 04305ddf2d4b9a89f1f8710f12ab691d [0,0,0,0,0,0|4,0,0]=4 381 B11R0.4 CCOC(=O)CNCCCOC 24714c2c7807ed3ce35740638d7e471f [0,0,0,0,0,0|4,0,0]=4 382 B11R0.4 CCOC(=O)CNCCCSC b297861fcb32dc5e0d19d3c9a20bab5c [0,0,0,0,0,0|4,0,0]=4 383 B11R0.4 CCOC(=O)CNCCSCC ab73db73736783d81dfec5042e756f02 [0,0,0,0,0,0|4,0,0]=4 384 B11R0.4 CCOC(=O)COCCCCF bdd3130414d7bb52901d2af99d6baad4 [0,0,0,0,0,0|4,0,0]=4 385 B11R0.4 CCOC(=O)COCCCCS d9f6c265a2fd8cb1d0d139c1fd8ea40e [0,0,0,0,0,0|4,0,0]=4 386 B11R0.4 CCOC(=O)COCCCOC eb98c0daf8901cd4eec41b84833eccbf [0,0,0,0,0,0|4,0,0]=4 387 B11R0.4 CCOC(=O)COCCCSC 00a233a412e6525cdc70bdadeb0a8d89 [0,0,0,0,0,0|4,0,0]=4 388 B11R0.4 CCOC(=O)COCCSCC 0d930b0adeba2e697fe84aabdd6723e8 [0,0,0,0,0,0|4,0,0]=4 389 B11R0.4 CCOC(=O)OCNCCC#N 3abb66198834d617259e43d019b410b2 [0,0,0,0,0,0|3,0,1]=4 390 B11R0.4 CCOC(=O)OCNCCCCl 99fe24b384b58a410e6bfa30610beaa5 [0,0,0,0,0,0|3,0,0]=3 391 B11R0.4 CCOC(=O)OCNCCCO 330dbb4caf05da61276fa56cf672bb8b [0,0,0,0,0,0|3,0,0]=3 392 B11R0.4 CCOC(=O)OCNCCOC d5c7854eee6ba7588214f4ff914fc87c [0,0,0,0,0,0|3,0,0]=3 393 B11R0.4 CCOC(=O)OCNCCON 1ecd67b01b85fbe0902712c1ed4eb644 [0,0,0,0,0,0|4,0,0]=4 394 B11R0.4 CCOC(=O)OCNCCSC ea06b535bbf1efc9b1197057babc558e [0,0,0,0,0,0|3,0,0]=3 395 B11R0.4 CCOC(=O)OCOCCC#N ed4ae751c75c99d342029768c637c695 [0,0,0,0,0,0|3,0,1]=4 396 B11R0.4 CCOC(=O)OCOCCC=O 51fa97c199153b4d541ea0aec77a48bb [0,0,0,0,0,0|3,0,1]=4 397 B11R0.4 CCOC(=O)OCOCCCF fc56c56d10bb392ab3a26c4a4efed42f [0,0,0,0,0,0|3,0,0]=3 398 B11R0.4 CCOC(=O)OCOCCCS 0cd9d99fb7c1a1ce68b9ca8aa9a51cb1 [0,0,0,0,0,0|3,0,0]=3 399 B11R0.4 CCOC(=O)OCOCCOC 8976be852d7727f2d507dbe54fada1a4 [0,0,0,0,0,0|3,0,0]=3 400 B11R0.4 CCOC(=O)OCOCCSC c7a5119784f6648de654eb05cb670589 [0,0,0,0,0,0|3,0,0]=3 401 B11R0.4 CCOCC/C=C/C(=O)OCC 6cd123b336b09636d62c7ced1e41006a [0,0,0,0,0,0|3,0,1]=4 402 B11R0.4 CCOCCCCC(=O)OCC dff7da0a71f6e7070ea70a6d5afe214a [0,0,0,0,0,0|3,0,0]=3 403 B11R0.4 CCOCCCNC(=O)CC#N ef159ce85eb7d72041107bc5f1f595a8 [0,0,0,0,0,0|3,0,1]=4 404 B11R0.4 CCOCCCNC(=O)CC=O 08b08324269f2b3e5210cb0b415fd2eb [0,0,0,0,0,0|3,0,1]=4 405 B11R0.4 CCOCCCNC(=O)CCF efadbaa4e7a775e7f102effe8a6f0ce0 [0,0,0,0,0,0|3,0,0]=3 406 B11R0.4 CCOCCCNC(=O)CCO 8acfd0c25451d107aefdb0a60f29f631 [0,0,0,0,0,0|3,0,0]=3 407 B11R0.4 CCOCCCNC(=O)CCS bb10088106ab0c7dcfc43d755ea8e23d [0,0,0,0,0,0|3,0,0]=3 408 B11R0.4 CCOCCCNC(=O)COC 70a73149310d8c3f110d5cb9b03dbd40 [0,0,0,0,0,0|3,0,0]=3 409 B11R0.4 CCOCCCNC(=O)CON 622a429aad3eb288333e392a8a196e9b [0,0,0,0,0,0|4,0,0]=4 410 B11R0.4 CCOCCCNC(=O)CSC 44b573ba5db1d327823fd0504bbcfcfd [0,0,0,0,0,0|3,0,0]=3 411 B11R0.4 CCOCCCOC(C)COC 44d98148fc4a2b9bf350f08807a4aa5d [0,0,0,0,0,0|3,0,1]=4 412 B11R0.4 CCOCCCOC(C)CSC abae268f2ea07e6037d48f06317a9bb7 [0,0,0,0,0,0|3,0,1]=4 413 B11R0.4 CCOCCCO[C@@H](C)COC 59892c1ec30a19810f7481347e562dd9 [0,0,0,0,0,0|3,0,1]=4 414 B11R0.4 CCOCCCO[C@H](C)COC 5ac16be2d3298c76b333bd2628262c49 [0,0,0,0,0,0|3,0,1]=4 415 B11R0.4 CCOCCNCC(=O)COC fdb8505df54fbba3c2adf0cfb62df184 [0,0,0,0,0,0|4,0,0]=4 416 B11R0.4 CCOCCNCC(=O)OCC 3eef08623d91f6c723acaf832f2ae8de [0,0,0,0,0,0|4,0,0]=4 417 B11R0.4 CCOCCOCC(=O)COC dbb7b3dd5ddf63d54f30b38b4ecaf7c8 [0,0,0,0,0,0|4,0,0]=4 418 B11R0.4 CCOCCOCC(=O)OCC 1e47a791ce24a3105a78deacbb6e4ae7 [0,0,0,0,0,0|4,0,0]=4 419 B11R0.4 CCOCNCCC(=O)OCC e0a0602d211c58d51b802fc20f7123fa [0,0,0,0,0,0|4,0,0]=4 420 B11R0.4 CCOCOCCC(=O)OCC adf258b99474a5da1b50ec3aeed30c5b [0,0,0,0,0,0|4,0,0]=4 421 B11R0.4 CCSC(=O)OCNCCC#N 3a90e6f4d6a140a78aa1d8fd67628730 [0,0,0,0,0,0|3,0,1]=4 422 B11R0.4 CCSC(=O)OCNCCCCl 535f129593e99d1a27f812d2c7ee6a65 [0,0,0,0,0,0|3,0,0]=3 423 B11R0.4 CCSC(=O)OCNCCCO 9d741fb4834d423e6169079ba7ef1cd6 [0,0,0,0,0,0|3,0,0]=3 424 B11R0.4 CCSC(=O)OCNCCOC a4c42e324d639e83f6d03d89277619be [0,0,0,0,0,0|3,0,0]=3 425 B11R0.4 CCSC(=O)OCNCCON 5866c03178015dc28c1a7218690fad80 [0,0,0,0,0,0|4,0,0]=4 426 B11R0.4 CCSC(=O)OCNCCSC 6031413d7d79d97053cb3e82c96aeb09 [0,0,0,0,0,0|3,0,0]=3 427 B11R0.4 CCSC(=O)OCOCCC#N 7d265908cd84597d1b15a884ee401dfb [0,0,0,0,0,0|3,0,1]=4 428 B11R0.4 CCSC(=O)OCOCCC=O acb031a1f7b3c88fd30bdc859d3752ab [0,0,0,0,0,0|3,0,1]=4 429 B11R0.4 CCSC(=O)OCOCCCF 3140bc2f2c56e9d1c1d617e4e45d6e83 [0,0,0,0,0,0|3,0,0]=3 430 B11R0.4 CCSC(=O)OCOCCCS e5c9a822fe890620e9494b6f368c605a [0,0,0,0,0,0|3,0,0]=3 431 B11R0.4 CCSC(=O)OCOCCOC 22b0fba0376baa6121f0b483d5066b0b [0,0,0,0,0,0|3,0,0]=3 432 B11R0.4 CCSC(=O)OCOCCSC a083f212579d68e4284028fb6f080ebf [0,0,0,0,0,0|3,0,0]=3 433 B11R0.4 CCSCCCOC(C)COC 8578a3684c70d246c43290bbcda8ef3b [0,0,0,0,0,0|3,0,1]=4 434 B11R0.4 CCSCCCOC(C)CSC 2328a8a2d0c6feee97ea9f5ebfe4c841 [0,0,0,0,0,0|3,0,1]=4 435 B11R0.4 CCSCCCO[C@@H](C)COC 3ce167993eb11e9f97303582a1494e25 [0,0,0,0,0,0|3,0,1]=4 436 B11R0.4 CCSCCCO[C@H](C)COC 7e161a935a2fa47b0613df43aeb4715b [0,0,0,0,0,0|3,0,1]=4 437 B11R0.4 CCSCCNCC(=O)COC 6e155effc108796e28a3252eae7ac084 [0,0,0,0,0,0|4,0,0]=4 438 B11R0.4 CCSCCOCC(=O)COC 6b7424a0912b8c7461eacd3ba1762ba5 [0,0,0,0,0,0|4,0,0]=4 439 B11R0.4 COCC(=O)CNCCCCCl 94890e0df7382ac64c28586919cd3948 [0,0,0,0,0,0|4,0,0]=4 440 B11R0.4 COCC(=O)CNCCCCS 519234dc4566e81da37f72e235238ff5 [0,0,0,0,0,0|4,0,0]=4 441 B11R0.4 COCC(=O)CNCCCSC aaa4a34c6a0fc86eef3dabc0a7439a41 [0,0,0,0,0,0|4,0,0]=4 442 B11R0.4 COCC(=O)COCCCCF 64f1546e16c70ee2e4e07aced5677625 [0,0,0,0,0,0|4,0,0]=4 443 B11R0.4 COCC(=O)COCCCCS 1c69a5e1cf0dd2d22b4517ff2bf45ec5 [0,0,0,0,0,0|4,0,0]=4 444 B11R0.4 COCC(=O)COCCCSC b7514f231ed5bceecb60df57c287f67a [0,0,0,0,0,0|4,0,0]=4 445 B11R0.4 COCC(=O)NCCCCC#N 076bf0924480506b52136d5e2f1369c6 [0,0,0,0,0,0|3,0,1]=4 446 B11R0.4 COCC(=O)NCCCCCCl aa42ab5e3ec51e9d22abf292fda9d7f1 [0,0,0,0,0,0|3,0,0]=3 447 B11R0.4 COCC(=O)NCCCCCO 1fa76c874db0b7688d7ddf0c18481da7 [0,0,0,0,0,0|3,0,0]=3 448 B11R0.4 COCC(=O)NCCCCSC 0ce1c58b53ffdb53ba5746947397b799 [0,0,0,0,0,0|3,0,0]=3 449 B11R0.4 COCC(=O)NCCOCCO ec901c359a18893923bed9542042abcc [0,0,0,0,0,0|4,0,0]=4 450 B11R0.4 COCC(=O)NCCOCCS 499d65c1411b4b71c3842ba403959a06 [0,0,0,0,0,0|4,0,0]=4 451 B11R0.4 COCC(=O)NCCSCCO 630bdba9dfa544004ddcf8c7d9a02dd0 [0,0,0,0,0,0|4,0,0]=4 452 B11R0.4 COCC(C)OCCCCCF 5944b1569d552c8bbe9cab995916779a [0,0,0,0,0,0|3,0,1]=4 453 B11R0.4 COCC(C)OCCCCSC bc9cac0274b0108d96764e0cc512a6cd [0,0,0,0,0,0|3,0,1]=4 454 B11R0.4 COCCCCNC(=O)CC#N e0361166653b356605059430a8f0e7bd [0,0,0,0,0,0|3,0,1]=4 455 B11R0.4 COCCCCNC(=O)CC=O 8109c59d747a300c999d468a4c5a5bc6 [0,0,0,0,0,0|3,0,1]=4 456 B11R0.4 COCCCCNC(=O)CCF 6ee62d6cb4b9fdd92bf7e567dac2d4f8 [0,0,0,0,0,0|3,0,0]=3 457 B11R0.4 COCCCCNC(=O)CCO e37a21d48ecc449870eea705bdcc361f [0,0,0,0,0,0|3,0,0]=3 458 B11R0.4 COCCCCNC(=O)CCS 24a71e63aa9be49e8e276a83d562a8b3 [0,0,0,0,0,0|3,0,0]=3 459 B11R0.4 COCCCCNC(=O)COC 745cdb59c6b7ff7633b3b16ac9c6ee7c [0,0,0,0,0,0|3,0,0]=3 460 B11R0.4 COCCCCNC(=O)CON 8df6fb5cffb6bf20ea1b47ce8f4fcc8d [0,0,0,0,0,0|4,0,0]=4 461 B11R0.4 COCCCCNC(=O)CSC ba341a99ca024acde6b18d462c8cdcda [0,0,0,0,0,0|3,0,0]=3 462 B11R0.4 COCCCCOC(C)COC 4d2d8a4ad5f9875936197c4db372f3db [0,0,0,0,0,0|3,0,1]=4 463 B11R0.4 COCCCCOC(C)CSC 4467a0720d68cf8dc13c5f91d6ce7ec5 [0,0,0,0,0,0|3,0,1]=4 464 B11R0.4 COCCCCO[C@@H](C)COC a6cb1d39411ed8ba04536f5429ae1cab [0,0,0,0,0,0|3,0,1]=4 465 B11R0.4 COCCCCO[C@H](C)COC fe0f0ed994fa7220d1040b0e36501954 [0,0,0,0,0,0|3,0,1]=4 466 B11R0.4 COCCCNCC(=O)COC 4e228feef20a32b9641ba3447dec0698 [0,0,0,0,0,0|4,0,0]=4 467 B11R0.4 COCCCOCC(=O)COC f65d05f3157a1048b7ede41de889fd20 [0,0,0,0,0,0|4,0,0]=4 468 B11R0.4 COC[C@@H](C)OCCCCCF 08eea8e9e6a27907167f9a1c238e504c [0,0,0,0,0,0|3,0,1]=4 469 B11R0.4 COC[C@H](C)OCCCCCF 7147b6bb32590cb4d134313c6193b0f8 [0,0,0,0,0,0|3,0,1]=4 470 B11R0.4 CSCC(=O)NCCCCC#N 029d688fa86d828bf9569f26d4287d59 [0,0,0,0,0,0|3,0,1]=4 471 B11R0.4 CSCC(=O)NCCCCCCl 153370af97ea55da31f34111d9910241 [0,0,0,0,0,0|3,0,0]=3 472 B11R0.4 CSCC(=O)NCCCCCO 584ef44ada0c9d4aac91f1399dffe5da [0,0,0,0,0,0|3,0,0]=3 473 B11R0.4 CSCC(=O)NCCOCCO 01a93ba8cb55f786ab34bf434f14ea02 [0,0,0,0,0,0|4,0,0]=4 474 B11R0.4 CSCC(=O)NCCOCCS d95cdeef56438878cef69e7c32bbca9d [0,0,0,0,0,0|4,0,0]=4 475 B11R0.4 CSCC(=O)NCCSCCO 183a78443aa4ed28b16102303d5d0c59 [0,0,0,0,0,0|4,0,0]=4 476 B11R0.4 CSCC(C)OCCCCCF 2e9d44b0dd6b44061cfbf22accc3f085 [0,0,0,0,0,0|3,0,1]=4 477 B11R0.4 CSCCCCNC(=O)CC#N 8d02a88efb784ced2004489989cb1263 [0,0,0,0,0,0|3,0,1]=4 478 B11R0.4 CSCCCCNC(=O)CC=O e1a12b10e78d889bf145080fedf1688a [0,0,0,0,0,0|3,0,1]=4 479 B11R0.4 CSCCCCNC(=O)CCF 4aa9b6c6c402a859a2037ca207d2eeb0 [0,0,0,0,0,0|3,0,0]=3 480 B11R0.4 CSCCCCNC(=O)CCO 0def3c0e3424429db8620419b88082cd [0,0,0,0,0,0|3,0,0]=3 481 B11R0.4 CSCCCCNC(=O)CCS 275093e40c64fb00214f217733e7002a [0,0,0,0,0,0|3,0,0]=3 482 B11R0.4 CSCCCCNC(=O)CON e61f0f6b4f698b06bc1bdf0cad390579 [0,0,0,0,0,0|4,0,0]=4 483 B11R0.4 CSCCCCNC(=O)CSC 488ccc16df1e03555e07bb32fbe83a4f [0,0,0,0,0,0|3,0,0]=3 484 B11R0.4 N#CCC(=O)NCCCCCCl 76d5c4f5bcbf3df472c77e2ac7e73bd5 [0,0,0,0,0,0|3,0,1]=4 485 B11R0.4 N#CCC(=O)NCCCCCO 34f23097a2345e6f8e9a934506e28458 [0,0,0,0,0,0|3,0,1]=4 486 B11R0.4 N#CCCCCNC(=O)CCF f9dc4a251ce20588f205f23d6126764b [0,0,0,0,0,0|3,0,1]=4 487 B11R0.4 N#CCCCCNC(=O)CCO 58cdb7de5637d9f9ae0a3b4365ed0fac [0,0,0,0,0,0|3,0,1]=4 488 B11R0.4 N#CCCCCNC(=O)CCS 02dff96c67261d56a9961ae69e5e6dcf [0,0,0,0,0,0|3,0,1]=4 489 B11R0.4 NOCC(=O)NCCCCCCl 925f5308a049c417008d9bba6cac7c88 [0,0,0,0,0,0|4,0,0]=4 490 B11R0.4 NOCC(=O)NCCCCCO 9a2ec76919528a1ba5eade29d6db9ef1 [0,0,0,0,0,0|4,0,0]=4 491 B11R0.4 O=C(CCF)NCCCCCCl d995f4d5f51bafa5b1ecfd4430e209d9 [0,0,0,0,0,0|3,0,0]=3 492 B11R0.4 O=C(CCF)NCCCCCO e449485f2ca23e4c1d3e7def1a274e73 [0,0,0,0,0,0|3,0,0]=3 493 B11R0.4 O=C(CCF)NCCOCCO 464096bc46e82136215796ff85dcca0a [0,0,0,0,0,0|4,0,0]=4 494 B11R0.4 O=C(CCF)NCCOCCS a1d651c5c7210c4f7f26fc42f255f686 [0,0,0,0,0,0|4,0,0]=4 495 B11R0.4 O=C(CCF)NCCSCCO 8d76da1cb55f4ef52fd1753d28f66524 [0,0,0,0,0,0|4,0,0]=4 496 B11R0.4 O=C(CCO)NCCCCCCl 5cefc3da5dae80b8a6093512df3bf750 [0,0,0,0,0,0|3,0,0]=3 497 B11R0.4 O=C(CCO)NCCCCCO 32b75911b963a5b740609c2714e64ebe [0,0,0,0,0,0|3,0,0]=3 498 B11R0.4 O=C(CCO)NCCOCCO e434b1654562fb7bcdc17490c4383c5e [0,0,0,0,0,0|4,0,0]=4 499 B11R0.4 O=C(CCO)NCCOCCS 9d3865008726eec88d9ccbce5c564fd7 [0,0,0,0,0,0|4,0,0]=4 500 B11R0.4 O=C(CCO)NCCSCCO 126ae5295eca2c199be4f2e2426a48a0 [0,0,0,0,0,0|4,0,0]=4 501 B11R0.4 O=C(CCS)NCCCCCCl a8be7c114ab26d5fca0f87b64cd024dd [0,0,0,0,0,0|3,0,0]=3 502 B11R0.4 O=C(CCS)NCCCCCO 6656c75fa5d58dd15c7bf0d6670be4e4 [0,0,0,0,0,0|3,0,0]=3 503 B11R0.4 O=C(CCS)NCCOCCO 03cac5faf52317a602bba4f9a0e2480e [0,0,0,0,0,0|4,0,0]=4 504 B11R0.4 O=C(CCS)NCCOCCS 19a2f4e5ccbdfd6a0fcfc86dbdf44551 [0,0,0,0,0,0|4,0,0]=4 505 B11R0.4 O=C(CCS)NCCSCCO f3c79169baaf09ba31a26b6eb332b251 [0,0,0,0,0,0|4,0,0]=4 506 B11R0.4 O=CCC(=O)NCCCCCCl e5be60f16ee1bfce3d0f2cc2258360f7 [0,0,0,0,0,0|3,0,1]=4 507 B11R0.4 O=CCC(=O)NCCCCCO ea9b46916e4def28d71644379ff5d685 [0,0,0,0,0,0|3,0,1]=4 508 B10R0.1 C#CCC(=O)NCCCCC 04dc362110f47aa68005f8f27e9f123f [1,0,0,0,0,0|1,0,2]=4 509 B10R0.1 C#CCCCNC(=O)CCC 1e5aba94a15dbf62ea93232b53804dde [1,0,0,0,0,0|1,0,2]=4 510 B10R0.1 C#CCCCOC(=S)CCC 62e3bb31049efd0c4ab70b827b2bca95 [1,0,0,0,0,0|0,1,2]=4 511 B10R0.1 C#CCCNCC(=O)CCC b89d15c3e2290d8fcd49f987532af107 [1,0,0,0,0,0|1,0,2]=4 512 B10R0.1 C#CCCOCC(=O)CCC 4b16cb2cf69aa46b6e6a8c9c82f2cec9 [1,0,0,0,0,0|1,0,2]=4 513 B10R0.1 C#CCNCOC(=O)CCC 768f435dfe684476f2a37237f832b685 [1,0,0,0,0,0|1,0,2]=4 514 B10R0.1 C#CCOCOC(=O)CCC ae38276a30cb67c85368440db9572933 [1,0,0,0,0,0|1,0,2]=4 515 B10R0.1 C/C=C/C(=O)NCCCCC 2f321928cc740d5db12c914a5b6ab6d1 [1,0,0,0,0,0|1,0,2]=4 516 B10R0.1 C/C=C/COCC(=O)CCC e705dd41e10e42b7866df48e1ca92157 [1,0,0,0,0,0|1,0,2]=4 517 B10R0.1 C/C=C\COCC(=O)CCC 8bf6bfccd0bb73cc8d5f50cefcee622b [1,0,0,0,0,0|1,0,2]=4 518 B10R0.1 C=CCC(=O)NCCCCC 60936a96866426d775857d450c7aa644 [1,0,0,0,0,0|1,0,2]=4 519 B10R0.1 C=CCCCNC(=O)CCC 36add1eb0b637534ddbc7b909527399d [1,0,0,0,0,0|1,0,2]=4 520 B10R0.1 C=CCCCOC(=S)CCC 4cb56d9bc436f4caf74e6534297d8c48 [1,0,0,0,0,0|0,1,2]=4 521 B10R0.1 C=CCCNCC(=O)CCC ec695e02d29ced9756cce2a57165ab66 [1,0,0,0,0,0|1,0,2]=4 522 B10R0.1 C=CCCOCC(=O)CCC 5fa19dac02f4734efaaffc6177d1b445 [1,0,0,0,0,0|1,0,2]=4 523 B10R0.1 CC#CC(=O)NCCCCC 2e0c3a2c2b59180c16266b5fc6ade442 [1,0,0,0,0,0|1,0,2]=4 524 B10R0.1 CC#CCNCC(=O)CCC d5c90d6368945fb250c673b2cec0c49f [1,0,0,0,0,0|1,0,2]=4 525 B10R0.1 CC#CCOCC(=O)CCC b631437fcbe06f5bf58285241b38365a [1,0,0,0,0,0|1,0,2]=4 526 B10R0.1 CC/C=C/COC(=S)CCC 70ec4c0977dbca2d1155ab6d62691382 [1,0,0,0,0,0|0,1,2]=4 527 B10R0.1 CC=CCNCC(=O)CCC 82640ac2c5fa5f7a65f6439c940d2283 [1,0,0,0,0,0|1,0,2]=4 528 B10R0.1 CC=CCOCC(=O)CCC 8f6ba979a3d95982df241a72b750c80a [1,0,0,0,0,0|1,0,2]=4 529 B10R0.1 CCC#CCOC(=S)CCC 883ac2a6298a5dc1c13d73f99a78d7fd [1,0,0,0,0,0|0,1,2]=4 530 B10R0.1 CCCC(=O)CNCCC#N c906abeb0acd59261d6b48e3a839571c [1,0,0,0,0,0|2,0,1]=4 531 B10R0.1 CCCC(=O)CNCCCCl c0f1363d0e8689562363b48372f1c1fb [1,0,0,0,0,0|2,0,0]=3 532 B10R0.1 CCCC(=O)CNCCCO af23909a43cb4df58e0bd24d961ffff2 [1,0,0,0,0,0|2,0,0]=3 533 B10R0.1 CCCC(=O)CNCCOC 317e67aceabfbe7a232fb2e03d7a50fc [1,0,0,0,0,0|2,0,0]=3 534 B10R0.1 CCCC(=O)CNCCON ec45a05a1a39129911970a8874e7fab4 [1,0,0,0,0,0|3,0,0]=4 535 B10R0.1 CCCC(=O)CNCCSC 3695c07515b783531beb51fbbf72d8bd [1,0,0,0,0,0|2,0,0]=3 536 B10R0.1 CCCC(=O)COCCC#N de2911d958dfedb1968ade1bc892e1fd [1,0,0,0,0,0|2,0,1]=4 537 B10R0.1 CCCC(=O)COCCC=O a3f44f7038af8e0629e44e7280315658 [1,0,0,0,0,0|2,0,1]=4 538 B10R0.1 CCCC(=O)COCCCF 62bf1ed7b351b58b6ed0990794725915 [1,0,0,0,0,0|2,0,0]=3 539 B10R0.1 CCCC(=O)COCCCS 019fcf2db5438ee1091d1c151725150a [1,0,0,0,0,0|2,0,0]=3 540 B10R0.1 CCCC(=O)COCCOC a601e67880a5e9a5fc70d75a9a8aab5b [1,0,0,0,0,0|2,0,0]=3 541 B10R0.1 CCCC(=O)COCCSC bb4a6374ae7cadeee3ba62422eca67c7 [1,0,0,0,0,0|2,0,0]=3 542 B10R0.1 CCCC(=O)NCCCC#N cf2eb2b08ac770f0ecc60b81767531c8 [1,0,0,0,0,0|2,0,1]=4 543 B10R0.1 CCCC(=O)NCCCCCl f671a3330fe2c47b146f725c22547753 [1,0,0,0,0,0|2,0,0]=3 544 B10R0.1 CCCC(=O)NCCCCO 5dcc5934786fd672ded2e88e6ca59c07 [1,0,0,0,0,0|2,0,0]=3 545 B10R0.1 CCCC(=O)NCCCCS 4ffd987e848f5ce52a73d93f5062b35c [1,0,0,0,0,0|2,0,0]=3 546 B10R0.1 CCCC(=O)NCCCOC 7712654c76c69518ffc7db7f1c70c47f [1,0,0,0,0,0|2,0,0]=3 547 B10R0.1 CCCC(=O)NCCCSC 0162770f8d54f07949cd04a73d25d9ee [1,0,0,0,0,0|2,0,0]=3 548 B10R0.1 CCCC(=O)NCCOCC 79d9b92616c769d2cdcd747927c60328 [1,0,0,0,0,0|2,0,0]=3 549 B10R0.1 CCCC(=O)NCCSCC 80b0e19972a11cccc458980ea52b2299 [1,0,0,0,0,0|2,0,0]=3 550 B10R0.1 CCCC(=O)OCCOCC 9a285a2c378d3b3e5e911c97d35a22b7 [1,0,0,0,0,0|1,0,0]=2 551 B10R0.1 CCCC(=O)OCCOCF 3c9e2aeba7aac381e328973102e6b518 [1,0,0,0,0,0|2,0,0]=3 552 B10R0.1 CCCC(=O)OCNCC#N 403277cd78e7c9274bc2205f54a88502 [1,0,0,0,0,0|2,0,1]=4 553 B10R0.1 CCCC(=O)OCNCCBr 30734e62ea61515bfcd7b9963185a180 [1,0,0,0,0,0|2,0,0]=3 554 B10R0.1 CCCC(=O)OCNCCF 9461371387da09d32e1a124fabb3128d [1,0,0,0,0,0|2,0,0]=3 555 B10R0.1 CCCC(=O)OCNCCI 10e5dfc9291f4d6a52bef8bfbd46ea72 [1,0,0,0,0,0|2,0,0]=3 556 B10R0.1 CCCC(=O)OCNCCO a51bae12876ca95add56b81db6ac58f9 [1,0,0,0,0,0|2,0,0]=3 557 B10R0.1 CCCC(=O)OCNCCS e8f339d65a1c2e70198227e13ce11765 [1,0,0,0,0,0|2,0,0]=3 558 B10R0.1 CCCC(=O)OCOCC#N f6372911fc334e1716c8009b8034525e [1,0,0,0,0,0|2,0,1]=4 559 B10R0.1 CCCC(=O)OCOCCS fc6fc7ed68bb3d8ebc4097c031c4d7b2 [1,0,0,0,0,0|2,0,0]=3 560 B10R0.1 CCCC(=O)OCOCOC fbb7c8e9294a5d705a5a9e62492b2491 [1,0,0,0,0,0|2,0,0]=3 561 B10R0.1 CCCC(=S)OCCCC#N 3471077d86ee02e1005cb85701460e64 [1,0,0,0,0,0|1,1,1]=4 562 B10R0.1 CCCC(=S)OCCCC=O ee7e8872e425d6f5224cb761edeae8a2 [1,0,0,0,0,0|1,1,1]=4 563 B10R0.1 CCCC(=S)OCCCCF a87f2db53eb48cbc176427ca92313c59 [1,0,0,0,0,0|1,1,0]=3 564 B10R0.1 CCCC(=S)OCCCOC 0f4db520c0f579ec24c237eea823c892 [1,0,0,0,0,0|1,1,0]=3 565 B10R0.1 CCCC(=S)OCCCSC 12882614c3d678eebfd0f7f1164a7738 [1,0,0,0,0,0|1,1,0]=3 566 B10R0.1 CCCC(=S)OCCOCC a1bd1ecdf3a74bbe1c29303e11aeb9ee [1,0,0,0,0,0|1,1,0]=3 567 B10R0.1 CCCC(=S)OCCSCC 57566a2b28663af6eed39d2cf1b8b53f [1,0,0,0,0,0|1,1,0]=3 568 B10R0.1 CCCC(C)CCCOCC b730bf7a00ffbf0ead7383036ed439dc [1,0,0,0,0,0|2,0,1]=4 569 B10R0.1 CCCC(C)OCCCCF 13ba8b7531bcfc70a81d1accbd4c7f44 [1,0,0,0,0,0|2,0,1]=4 570 B10R0.1 CCCC(C)OCCCCS d72c779ebf544bb433c5b952cfb1f0a0 [1,0,0,0,0,0|2,0,1]=4 571 B10R0.1 CCCC(C)OCCCOC 27dd498ad340f5477304caf042496cdc [1,0,0,0,0,0|2,0,1]=4 572 B10R0.1 CCCC(C)OCCCSC af2a37f320e9cb1def2a06f1bd8da43b [1,0,0,0,0,0|2,0,1]=4 573 B10R0.1 CCCC(C)OCCOCC f74f7fa41a2da07c6ada5e572fcee475 [1,0,0,0,0,0|2,0,1]=4 574 B10R0.1 CCCC(C)OCCSCC 369979e35e101e7801c5f92538b1f3a1 [1,0,0,0,0,0|2,0,1]=4 575 B10R0.1 CCCCCCC(=O)NC#N ff5c153b19456be5ce593000b848300e [1,0,0,0,0,0|2,0,1]=4 576 B10R0.1 CCCCCCC(C)NCC 18cf51122b77d7d025187e4523b3a1e3 [1,0,0,0,0,0|2,0,1]=4 577 B10R0.1 CCCCCCC(C)OCC d985d856010a7b8ef992ad40f7161b3e [1,0,0,0,0,0|2,0,1]=4 578 B10R0.1 CCCCCCN(C)CCC d9be85fa1ca3cb2603bb497abfd54e2f [1,0,0,0,0,0|2,0,0]=3 579 B10R0.1 CCCCCCN(C)CCF 87a85f2b0a9b84dcbda880835e49b44d [1,0,0,0,0,0|3,0,0]=4 580 B10R0.1 CCCCCCN(C)CCO 91ac4277144a6587277e9315c1c83e80 [1,0,0,0,0,0|3,0,0]=4 581 B10R0.1 CCCCCCN(C)CCS 8a983eb51265685a2a33d9bc4e53864f [1,0,0,0,0,0|3,0,0]=4 582 B10R0.1 CCCCCCN(C)COC b262c2f25c8ec0c154a4a9e33014bb79 [1,0,0,0,0,0|3,0,0]=4 583 B10R0.1 CCCCCCN(C)CSC 3d54765c5a01ab712f1ebe849ee1f4f7 [1,0,0,0,0,0|3,0,0]=4 584 B10R0.1 CCCCCC[C@@H](C)NCC 024aff984286c1e4ab0d37ad1e4e29ca [1,0,0,0,0,0|2,0,1]=4 585 B10R0.1 CCCCCC[C@@H](C)OCC af575d78eb64c4272362170d1037dd2d [1,0,0,0,0,0|2,0,1]=4 586 B10R0.1 CCCCCC[C@H](C)NCC 8f9fd4b854d1037c0c6ab6c1780bba52 [1,0,0,0,0,0|2,0,1]=4 587 B10R0.1 CCCCCC[C@H](C)OCC 2bb6b456a8080df3ef2c68e70ba1062c [1,0,0,0,0,0|2,0,1]=4 588 B10R0.1 CCCCCNC(=O)CC#N 2c6db1124ce6a3f337f9bf4b0c262cef [1,0,0,0,0,0|2,0,1]=4 589 B10R0.1 CCCCCNC(=O)CC=O 36f9b6b1d9882210ce52718d5f372ace [1,0,0,0,0,0|2,0,1]=4 590 B10R0.1 CCCCCNC(=O)CCC cd3617b761f054cae655d3c214537a01 [1,0,0,0,0,0|1,0,0]=2 591 B10R0.1 CCCCCNC(=O)CCF 8f55dcb051c9e4fa4d8e7353d886739d [1,0,0,0,0,0|2,0,0]=3 592 B10R0.1 CCCCCNC(=O)CCO e4a8972fa724b6f0f9b4d6b3c835d2fb [1,0,0,0,0,0|2,0,0]=3 593 B10R0.1 CCCCCNC(=O)CCS 3733c740ac8be76287971250e938eadf [1,0,0,0,0,0|2,0,0]=3 594 B10R0.1 CCCCCNC(=O)COC 3c827a5b8568a226ab9d7a96910886e4 [1,0,0,0,0,0|2,0,0]=3 595 B10R0.1 CCCCCNC(=O)CON d7cee1de03fd51e11ccb46eda36a2cba [1,0,0,0,0,0|3,0,0]=4 596 B10R0.1 CCCCCNC(=O)CSC a633d95815fa33f04c44be165a312304 [1,0,0,0,0,0|2,0,0]=3 597 B10R0.1 CCCCCNC(C)CCC 26d51ec122f46d71a5a747b600912d97 [1,0,0,0,0,0|2,0,1]=4 598 B10R0.1 CCCCCN[C@@H](C)CCC e8a554d0748c7efb659626f73b094a1c [1,0,0,0,0,0|2,0,1]=4 599 B10R0.1 CCCCCOC(=S)CCC e70fcd071a998201c96ff7af83897208 [1,0,0,0,0,0|0,1,0]=2 600 B10R0.1 CCCCCOC(C)CCC 95598e4482fa2acf5532e4fa9a6ad6e3 [1,0,0,0,0,0|1,0,1]=3 601 B10R0.1 CCCCCOC(C)COC 4855ebeba5ed880120fa9c52b918eb9f [1,0,0,0,0,0|2,0,1]=4 602 B10R0.1 CCCCCOC(C)CSC 57aa4510167397fc6ff7745996a55dff [1,0,0,0,0,0|2,0,1]=4 603 B10R0.1 CCCCCO[C@@H](C)CCC d796f1fbb42029d496f1afefad90a0c9 [1,0,0,0,0,0|1,0,1]=3 604 B10R0.1 CCCCCO[C@@H](C)COC c4d8dfc216e3f69fad9549a432253a27 [1,0,0,0,0,0|2,0,1]=4 605 B10R0.1 CCCCCO[C@H](C)CCC 8ec1919c97beba8a5a1b87817d43e6ed [1,0,0,0,0,0|1,0,1]=3 606 B10R0.1 CCCCCO[C@H](C)COC 0ae3dae26efd3344d37fa479699c90ec [1,0,0,0,0,0|2,0,1]=4 607 B10R0.1 CCCCNCC(=O)CCC 453fddd4efd403580a47150fb6a1b943 [1,0,0,0,0,0|1,0,0]=2 608 B10R0.1 CCCCNCC(=O)COC c8c6b69bbcb048c0297d4859878c7a37 [1,0,0,0,0,0|2,0,0]=3 609 B10R0.1 CCCCNCC(=O)NCC a218683c63b1bb6bc4fada805a19d3fa [1,0,0,0,0,0|2,0,0]=3 610 B10R0.1 CCCCNCC(=O)NCO b25b38657c9f4e44ec96d205ddf4ac94 [1,0,0,0,0,0|3,0,0]=4 611 B10R0.1 CCCCNCC(=O)OCC b97c56bc755b41308bd27845c7930d51 [1,0,0,0,0,0|2,0,0]=3 612 B10R0.1 CCCCNCC(C)CCC 4f59e86f407e5a8df9a836ce6955135c [1,0,0,0,0,0|2,0,1]=4 613 B10R0.1 CCCCNCC(O)CCC 6bd7c0c81aa28ae46438b3751e240977 [1,0,0,0,0,0|1,0,2]=4 614 B10R0.1 CCCCOCC(=O)CCC 3c18382cf685be3b48662cc000c9f11f [1,0,0,0,0,0|1,0,0]=2 615 B10R0.1 CCCCOCC(=O)COC 5492555264028ec97fd6f9a9065a58cf [1,0,0,0,0,0|2,0,0]=3 616 B10R0.1 CCCCOCC(=O)NCC 1a816a8692edc4d39f6404d2712f2a39 [1,0,0,0,0,0|2,0,0]=3 617 B10R0.1 CCCCOCC(=O)OCC b9d8b0969b606fca5e0d886f04b1b9a2 [1,0,0,0,0,0|2,0,0]=3 618 B10R0.1 CCCCOCC(C)CCC 2a98bf460dddd7a4e9e45b8087a55eec [1,0,0,0,0,0|2,0,1]=4 619 B10R0.1 CCCCOCN(C)CCC 7f0f02d15a6378bca5e117d267dfb251 [1,0,0,0,0,0|3,0,0]=4 620 B10R0.1 CCCN(C)CCCCCF e27148d9b567bda8627914ddddba069e [1,0,0,0,0,0|3,0,0]=4 621 B10R0.1 CCCN(C)CCCCCO 4305d20a6b59bd375a5c9f2aff4c3e85 [1,0,0,0,0,0|3,0,0]=4 622 B10R0.1 CCCN(C)CCCCOC 52b72a006a739a10a24b19f85b688dc4 [1,0,0,0,0,0|3,0,0]=4 623 B10R0.1 CCCN(C)CCCOCC 20c3397d24eae637873a4f5d643c09c9 [1,0,0,0,0,0|3,0,0]=4 624 B10R0.1 CCCN(C)CCCSCC 593a584b9c4c03f38d1af6272b329652 [1,0,0,0,0,0|3,0,0]=4 625 B10R0.1 CCCNCCC(=O)NCC fed5cf7995e8bcb3cb088a7324683334 [1,0,0,0,0,0|2,0,0]=3 626 B10R0.1 CCCNCCC(=O)OCC a5eca5b369834181d5c681e73bc5df58 [1,0,0,0,0,0|2,0,0]=3 627 B10R0.1 CCCNCOC(=O)CCC 38cbf3506e155a3e433f65aa13f4e89b [1,0,0,0,0,0|1,0,0]=2 628 B10R0.1 CCCNCOC(=O)OCC dd5fb1e82de8f1385da13ffd886652b3 [1,0,0,0,0,0|2,0,0]=3 629 B10R0.1 CCCNCOC(=O)SCC afe6d13e5e63696216df6a5e42e8e018 [1,0,0,0,0,0|2,0,0]=3 630 B10R0.1 CCCOCCC(=O)NCC 716a0638bd662663b8cdb9317f882e86 [1,0,0,0,0,0|2,0,0]=3 631 B10R0.1 CCCOCCC(=O)OCC 7807b520106a1db433af53f99cc9cebe [1,0,0,0,0,0|2,0,0]=3 632 B10R0.1 CCCOCCC(C)CCC 812492a8a2e3acbfb23fcbf69f497277 [1,0,0,0,0,0|2,0,1]=4 633 B10R0.1 CCCOCCC(S)CCC 34887f963efbb0e38cbd0aa64aac796a [1,0,0,0,0,0|1,1,1]=4 634 B10R0.1 CCCOCCN(C)CCC 5eb3e46db7d815edc5f72115f2c5c89a [1,0,0,0,0,0|3,0,0]=4 635 B10R0.1 CCCOCOC(=O)CCC ae34f309fddde79fb1b78768c738001e [1,0,0,0,0,0|1,0,0]=2 636 B10R0.1 CCCOCOC(=O)OCC 00ffc636bc87edde518c508ef349454a [1,0,0,0,0,0|2,0,0]=3 637 B10R0.1 CCCOCOC(=O)SCC db970673b3d242e11b09ecfcd7404053 [1,0,0,0,0,0|2,0,0]=3 638 B10R0.1 CCC[C@@H](C)OCCCCF c7f4a0dfd0d9a93120bf3e300079a2ed [1,0,0,0,0,0|2,0,1]=4 639 B10R0.1 CCC[C@@H](C)OCCCOC 1c887a342a2e7b5a90c1aa2e3c97c3da [1,0,0,0,0,0|2,0,1]=4 640 B10R0.1 CCC[C@@H](C)OCCCSC c3b0da73eeed24f460ad43097e8014cb [1,0,0,0,0,0|2,0,1]=4 641 B10R0.1 CCC[C@@H](C)OCCOCC 3a42c254752838b833672be593233f0d [1,0,0,0,0,0|2,0,1]=4 642 B10R0.1 CCC[C@@H](C)OCCSCC 45039a4155790bf73751859d1594005d [1,0,0,0,0,0|2,0,1]=4 643 B10R0.1 CCC[C@H](C)OCCCCF 1185d84c08384ef6e0aa4e601e46a47f [1,0,0,0,0,0|2,0,1]=4 644 B10R0.1 CCC[C@H](C)OCCCOC e2e708b7d4bdaf5c1cb04b6f79671d82 [1,0,0,0,0,0|2,0,1]=4 645 B10R0.1 CCC[C@H](C)OCCCSC 692958a2d3e2afd3539d323d4ad69d08 [1,0,0,0,0,0|2,0,1]=4 646 B10R0.1 CCC[C@H](C)OCCOCC b689ae6df6247584becb7b7915f481aa [1,0,0,0,0,0|2,0,1]=4 647 B10R0.1 CCC[C@H](C)OCCSCC 3b192f827edc34a5309e84248c0416dd [1,0,0,0,0,0|2,0,1]=4 648 B10R0.1 CCNC(=O)CCNCCBr 1f9f558ea0de59ec698c5b67ba5623ce [1,0,0,0,0,0|3,0,0]=4 649 B10R0.1 CCNC(=O)CCNCCF 82959926fc183ffc716d32c678e2c23d [1,0,0,0,0,0|3,0,0]=4 650 B10R0.1 CCNC(=O)CCNCCI 101df6ecad4367a58835c04b1c924da9 [1,0,0,0,0,0|3,0,0]=4 651 B10R0.1 CCNC(=O)CCNCCO 95ddb3d67ac0bdfce705a73f9d453a8e [1,0,0,0,0,0|3,0,0]=4 652 B10R0.1 CCNC(=O)CCNCCS 0d4fd3cb336aa80e1aad1db2b5bf3e2d [1,0,0,0,0,0|3,0,0]=4 653 B10R0.1 CCNC(=O)CCOCCF 7addcb151c86a7c713faa772efeaa04d [1,0,0,0,0,0|3,0,0]=4 654 B10R0.1 CCNC(=O)CCOCCS 0808f4844e9a005d537d9ac8fa1c8dfc [1,0,0,0,0,0|3,0,0]=4 655 B10R0.1 CCNC(=O)CCOCOC b6e45b946a4bf02c749b7fac80392b93 [1,0,0,0,0,0|3,0,0]=4 656 B10R0.1 CCNC(=O)CNCCCCl 9c6ff97864b49d8396431c4ce76be751 [1,0,0,0,0,0|3,0,0]=4 657 B10R0.1 CCNC(=O)CNCCCF c615c71e5423fe3e8cbc404021a795fd [1,0,0,0,0,0|3,0,0]=4 658 B10R0.1 CCNC(=O)CNCCCO 2aa5f1a756a42010184170770de4d7d0 [1,0,0,0,0,0|3,0,0]=4 659 B10R0.1 CCNC(=O)CNCCCS 14189159b6b162ee43ca614708d9c1f8 [1,0,0,0,0,0|3,0,0]=4 660 B10R0.1 CCNC(=O)CNCCOC 4e9254754734005634aa080be5064dfa [1,0,0,0,0,0|3,0,0]=4 661 B10R0.1 CCNC(=O)CNCCSC 921582e620bc9744c65977bc790d2e82 [1,0,0,0,0,0|3,0,0]=4 662 B10R0.1 CCNC(=O)CNCOCC 49effb3200ea90688c3d30f56a60cc04 [1,0,0,0,0,0|3,0,0]=4 663 B10R0.1 CCNC(=O)COCCCF 6879e55a53a664dbfdf20f5ed4986686 [1,0,0,0,0,0|3,0,0]=4 664 B10R0.1 CCNC(=O)COCCCS 09f971483aba30f1c8cfc0f9bb6ee313 [1,0,0,0,0,0|3,0,0]=4 665 B10R0.1 CCNC(=O)COCCOC 126af58aa417d53e2decba7593c648a0 [1,0,0,0,0,0|3,0,0]=4 666 B10R0.1 CCNC(=O)COCCSC deaff2a084443a15847ffbe142fafa63 [1,0,0,0,0,0|3,0,0]=4 667 B10R0.1 CCNC(=O)COCOCC 10ced6eb548f01ba9d4a8f1cb1adaad1 [1,0,0,0,0,0|3,0,0]=4 668 B10R0.1 CCNCCCC(=O)OCC ec7ea6af2e873221783738c3262f1017 [1,0,0,0,0,0|2,0,0]=3 669 B10R0.1 CCOC(=O)CCCNCF d252d1ad95be1be46de00f0a62c87a26 [1,0,0,0,0,0|3,0,0]=4 670 B10R0.1 CCOC(=O)CCCNCO 6ad8e394886b5bbcf235085ec2778bb5 [1,0,0,0,0,0|3,0,0]=4 671 B10R0.1 CCOC(=O)CCCOCF ec36e0805bbb2fa958b8522cdcebce6e [1,0,0,0,0,0|3,0,0]=4 672 B10R0.1 CCOC(=O)CCNCCBr dc62d6e6989f38d8a1c9086df109dd58 [1,0,0,0,0,0|3,0,0]=4 673 B10R0.1 CCOC(=O)CCNCCF a126fe35bf21d7af24142127a9d7b487 [1,0,0,0,0,0|3,0,0]=4 674 B10R0.1 CCOC(=O)CCNCCI ebee6740df89e11a56f6ab71aafb9dee [1,0,0,0,0,0|3,0,0]=4 675 B10R0.1 CCOC(=O)CCNCCO c103a6e0970c0aff3c29210fe93324f0 [1,0,0,0,0,0|3,0,0]=4 676 B10R0.1 CCOC(=O)CCNCCS aec7d2f9c68c53cea47927e128d7b562 [1,0,0,0,0,0|3,0,0]=4 677 B10R0.1 CCOC(=O)CCNCOC ddf32b15df8cba89ca9d021c4d1d593d [1,0,0,0,0,0|3,0,0]=4 678 B10R0.1 CCOC(=O)CCNCSC 84d439c9c270311224f102ed64d933ea [1,0,0,0,0,0|3,0,0]=4 679 B10R0.1 CCOC(=O)CCOCCF 925e99a249fc8f5a48f8ddf51d1e6a35 [1,0,0,0,0,0|3,0,0]=4 680 B10R0.1 CCOC(=O)CCOCCS c7efa8542dc4c5340c321502afe56ef8 [1,0,0,0,0,0|3,0,0]=4 681 B10R0.1 CCOC(=O)CCOCOC e943a6c684e4e08ca5cc5bedbbbf4d1e [1,0,0,0,0,0|3,0,0]=4 682 B10R0.1 CCOC(=O)CCOCSC 688997c505935e69c875e06b92c7ccc8 [1,0,0,0,0,0|3,0,0]=4 683 B10R0.1 CCOC(=O)CNCCCCl 2a7d72348462cab84c46344b34c99ac2 [1,0,0,0,0,0|3,0,0]=4 684 B10R0.1 CCOC(=O)CNCCCF 2b17c80de5b67443357ab9181868ea7a [1,0,0,0,0,0|3,0,0]=4 685 B10R0.1 CCOC(=O)CNCCCO e6ca78830304e337859e0c6e5fd7adb3 [1,0,0,0,0,0|3,0,0]=4 686 B10R0.1 CCOC(=O)CNCCCS be6e7e8ea1ad129a71f56a17397bacd9 [1,0,0,0,0,0|3,0,0]=4 687 B10R0.1 CCOC(=O)CNCCOC 193cf4f6f69e813ac1a6ad1d465b4cf0 [1,0,0,0,0,0|3,0,0]=4 688 B10R0.1 CCOC(=O)CNCCSC 97cf95347670bdca8ae7f4a58822476d [1,0,0,0,0,0|3,0,0]=4 689 B10R0.1 CCOC(=O)COCCCF 9db06f731f4e085bb967620bc40e73c5 [1,0,0,0,0,0|3,0,0]=4 690 B10R0.1 CCOC(=O)COCCCS 910154b5a69cb476fce331dfd79628e5 [1,0,0,0,0,0|3,0,0]=4 691 B10R0.1 CCOC(=O)COCCOC 8d9669626e8f41a69132fe558212487f [1,0,0,0,0,0|3,0,0]=4 692 B10R0.1 CCOC(=O)COCCSC 68d82d823b73c14bf81455b24058a7e8 [1,0,0,0,0,0|3,0,0]=4 693 B10R0.1 CCOC(=O)OCNCCBr a61ffdc0f93223afd6057dc21cb45d66 [1,0,0,0,0,0|3,0,0]=4 694 B10R0.1 CCOC(=O)OCNCCF 2c7106c293115ac97d34a3ad49a8a2f3 [1,0,0,0,0,0|3,0,0]=4 695 B10R0.1 CCOC(=O)OCNCCI 5c08bb8871acb4665eefbedb8465a7af [1,0,0,0,0,0|3,0,0]=4 696 B10R0.1 CCOC(=O)OCNCCO 41ff48df0b0b1bb9ae91f5c7f14f3eb2 [1,0,0,0,0,0|3,0,0]=4 697 B10R0.1 CCOC(=O)OCNCCS 4284da6d1820be51ec95046775df3a83 [1,0,0,0,0,0|3,0,0]=4 698 B10R0.1 CCOC(=O)OCOCCS 837640ad7e95b1ea09b0e9bd60b58cce [1,0,0,0,0,0|3,0,0]=4 699 B10R0.1 CCOC(=O)OCOCOC 980e31dc6b923991b3b50a858a6c660c [1,0,0,0,0,0|3,0,0]=4 700 B10R0.1 CCOCCCC(=O)OCC 065e688430f5956cbb53aefa5e1e9a90 [1,0,0,0,0,0|2,0,0]=3 701 B10R0.1 CCOCCNC(=O)CCF 30ff3d1e0d42d88b890503467a1d0faf [1,0,0,0,0,0|3,0,0]=4 702 B10R0.1 CCOCCNC(=O)CCO 07fe0269889c2bb3a011a39b226f32c2 [1,0,0,0,0,0|3,0,0]=4 703 B10R0.1 CCOCCNC(=O)CCS ba9fc205a8abbd5100b90e72fc8022c0 [1,0,0,0,0,0|3,0,0]=4 704 B10R0.1 CCOCCNC(=O)COC 78fcea0c24a356c716c115100dc7a09f [1,0,0,0,0,0|3,0,0]=4 705 B10R0.1 CCOCCNC(=O)CSC cc96c76b4bd9e83a7fed71cad246cb3d [1,0,0,0,0,0|3,0,0]=4 706 B10R0.1 CCOCNCC(=O)OCC 2155e3c18af0c68bcd17bcd5f7780a07 [1,0,0,0,0,0|3,0,0]=4 707 B10R0.1 CCOCOCC(=O)OCC 91dce8a6e34fa8cace96e79585b8811b [1,0,0,0,0,0|3,0,0]=4 708 B10R0.1 CCSC(=O)OCNCCBr fcebbedb499ca6205ca1f02ac2f5223f [1,0,0,0,0,0|3,0,0]=4 709 B10R0.1 CCSC(=O)OCNCCF 33176aeba2024fdd93467bc5d62bb817 [1,0,0,0,0,0|3,0,0]=4 710 B10R0.1 CCSC(=O)OCNCCI cd5d5e832e44331dc5e99c1366a30d76 [1,0,0,0,0,0|3,0,0]=4 711 B10R0.1 CCSC(=O)OCNCCO 241eaf7f0b2ae6b814f815132322c120 [1,0,0,0,0,0|3,0,0]=4 712 B10R0.1 CCSC(=O)OCNCCS bda1e510740cd7c2a86ec829f4ac28ed [1,0,0,0,0,0|3,0,0]=4 713 B10R0.1 CCSC(=O)OCOCCF 150adb32985dd649f09deb9e85b0af26 [1,0,0,0,0,0|3,0,0]=4 714 B10R0.1 CCSC(=O)OCOCCS 462e726a31afc3478b6b9f6a57df71b3 [1,0,0,0,0,0|3,0,0]=4 715 B10R0.1 CCSC(=O)OCOCOC 63f95407bcabe56a574337df5d18bb8e [1,0,0,0,0,0|3,0,0]=4 716 B10R0.1 CCSCCNC(=O)CCF 546f28f99d32729a57edd07a91f6d52b [1,0,0,0,0,0|3,0,0]=4 717 B10R0.1 CCSCCNC(=O)CCO cdd7f8211b4e390617f39925d56f3718 [1,0,0,0,0,0|3,0,0]=4 718 B10R0.1 CCSCCNC(=O)CCS 7c9b93abf3ea2c2a2c588739c4cb7bac [1,0,0,0,0,0|3,0,0]=4 719 B10R0.1 CCSCCNC(=O)COC a19b0a93f49032c26f16e852a9c205d9 [1,0,0,0,0,0|3,0,0]=4 720 B10R0.1 CCSCCNC(=O)CSC b409c0a5f6b4d3adf33fab235d1c16f6 [1,0,0,0,0,0|3,0,0]=4 721 B10R0.1 COCC(=O)CNCCCCl e476564fc0a2f95dcef903ebdce2f326 [1,0,0,0,0,0|3,0,0]=4 722 B10R0.1 COCC(=O)CNCCCO 181e49546b4568ff81ba4a23379b051f [1,0,0,0,0,0|3,0,0]=4 723 B10R0.1 COCC(=O)CNCCSC 6d8487c66282ea54445d91293acf57db [1,0,0,0,0,0|3,0,0]=4 724 B10R0.1 COCC(=O)COCCCF 1efac76f6d965af83427c8cd3db40039 [1,0,0,0,0,0|3,0,0]=4 725 B10R0.1 COCC(=O)COCCSC c326bd99d2ec3dca71ebad02c9717b24 [1,0,0,0,0,0|3,0,0]=4 726 B10R0.1 COCC(=O)NCCCCCl bf98da29268c6c731a21be48ca575909 [1,0,0,0,0,0|3,0,0]=4 727 B10R0.1 COCC(=O)NCCCCO 9788392c77d4b9388dfcec5602286f1d [1,0,0,0,0,0|3,0,0]=4 728 B10R0.1 COCC(=O)NCCCCS 575c3c3b4fc3fe0df2c117d292232b27 [1,0,0,0,0,0|3,0,0]=4 729 B10R0.1 COCC(=O)NCCCSC 484918eb6915e305a98942cd577ff66d [1,0,0,0,0,0|3,0,0]=4 730 B10R0.1 COCCCNC(=O)CCF 07ad89282b12d855b19aea54b65f7037 [1,0,0,0,0,0|3,0,0]=4 731 B10R0.1 COCCCNC(=O)CCO 82a3671f6ca25e1924fb0d12d2c00443 [1,0,0,0,0,0|3,0,0]=4 732 B10R0.1 COCCCNC(=O)CCS eb8f8b417a7b6ca67973a0cb951e1903 [1,0,0,0,0,0|3,0,0]=4 733 B10R0.1 COCCCNC(=O)COC a95f3d1c56fc9699b3e78feef59d36ec [1,0,0,0,0,0|3,0,0]=4 734 B10R0.1 COCCCNC(=O)CSC c5cb8f5af4ec02bc1896a3f0c0a40533 [1,0,0,0,0,0|3,0,0]=4 735 B10R0.1 COCCNCC(=O)COC b30201e812a2f048184ce17922389d36 [1,0,0,0,0,0|3,0,0]=4 736 B10R0.1 COCCOCC(=O)COC 8482545c4e53647501dc212160973072 [1,0,0,0,0,0|3,0,0]=4 737 B10R0.1 CSCC(=O)NCCCCCl d28cebc86c70f68b723b95fa8a51740d [1,0,0,0,0,0|3,0,0]=4 738 B10R0.1 CSCC(=O)NCCCCO b5716720caa9ef6737a301802ba2bb6d [1,0,0,0,0,0|3,0,0]=4 739 B10R0.1 CSCC(=O)NCCCCS 0946012f9eefb75ee640ee74283678f3 [1,0,0,0,0,0|3,0,0]=4 740 B10R0.1 CSCCCNC(=O)CCF 836c8274edab8263bfb65d176ae9a745 [1,0,0,0,0,0|3,0,0]=4 741 B10R0.1 CSCCCNC(=O)CCO b1a9b2a734ea204292bf17a713e67108 [1,0,0,0,0,0|3,0,0]=4 742 B10R0.1 CSCCCNC(=O)CCS ec915c99e64127ae48269170511ca292 [1,0,0,0,0,0|3,0,0]=4 743 B10R0.1 CSCCCNC(=O)CSC df4e66fa8a1d90beb12e79e61332cd13 [1,0,0,0,0,0|3,0,0]=4 744 B10R0.1 O=C(CCF)NCCCCCl da4326635e79533dd9f88241957bd62b [1,0,0,0,0,0|3,0,0]=4 745 B10R0.1 O=C(CCF)NCCCCO 7ca3d07f8aa6c3791730aa748f304038 [1,0,0,0,0,0|3,0,0]=4 746 B10R0.1 O=C(CCF)NCCCCS dc9c03eef229da864a0075977eb454f4 [1,0,0,0,0,0|3,0,0]=4 747 B10R0.1 O=C(CCO)NCCCCCl feeb571388f6c0dca819e020bdd3b7aa [1,0,0,0,0,0|3,0,0]=4 748 B10R0.1 O=C(CCO)NCCCCO eb8190f503184dce54f6503361fba3c2 [1,0,0,0,0,0|3,0,0]=4 749 B10R0.1 O=C(CCO)NCCCCS fcdf16f99c7b22054491ea7f6b6ffbaa [1,0,0,0,0,0|3,0,0]=4 750 B10R0.1 O=C(CCS)NCCCCCl 7848a4967d9fe44f8a74667860e19313 [1,0,0,0,0,0|3,0,0]=4 751 B10R0.1 O=C(CCS)NCCCCO b8d3238d1c88465a91908b8a194ebaf3 [1,0,0,0,0,0|3,0,0]=4 752 B10R0.1 O=C(CCS)NCCCCS 52d8805717368edb54f0ed297ea0dde5 [1,0,0,0,0,0|3,0,0]=4 753 B10R0.71 C#CCCCCOCCCC 155c3f8eb84354a374d6f5b6dbe37f94 [1,0,0,0,0,0|0,0,3]=4 754 B10R0.71 C#CCCOCCCCCC abc6fbb8106126804619f331a30d4f48 [1,0,0,0,0,0|0,0,3]=4 755 B10R0.71 C/C=C/CCCOCCCC 80f6cb269c0f24c47f7493f0858d135b [1,0,0,0,0,0|0,0,3]=4 756 B10R0.71 C/C=C/COCCCCCC 2cc86534d43c03349a69990f00a712f1 [1,0,0,0,0,0|0,0,3]=4 757 B10R0.71 C/C=C\CCCOCCCC fe2923e9d84b92616f7a73a5334d712d [1,0,0,0,0,0|0,0,3]=4 758 B10R0.71 C/C=C\COCCCCCC c3215f168781748ebc00617e7f23375f [1,0,0,0,0,0|0,0,3]=4 759 B10R0.71 C=CCCCCOCCCC eb8efda51eb20afeb995d9abe3ad7654 [1,0,0,0,0,0|0,0,3]=4 760 B10R0.71 C=CCCOCCCCCC 8814dfd80f4d64b7d70e638ca2c0b882 [1,0,0,0,0,0|0,0,3]=4 761 B10R0.71 CC#CCCCOCCCC 0cd09975349b87add68248cd144b30c2 [1,0,0,0,0,0|0,0,3]=4 762 B10R0.71 CC#CCOCCCCCC ca5f1de5554f737f5c88d67d2baa3847 [1,0,0,0,0,0|0,0,3]=4 763 B10R0.71 CC/C=C/CCOCCCC c8bbe4a116e9837c5acb0bd130d88747 [1,0,0,0,0,0|0,0,3]=4 764 B10R0.71 CC/C=C/CNCCCCC 396ae7fd2aad2d3062225091f1ed8121 [1,0,0,0,0,0|2,0,1]=4 765 B10R0.71 CC/C=C/COCCCCC 4244476ee625bb91d4c75005fa57b26a [1,0,0,0,0,0|2,0,1]=4 766 B10R0.71 CC/C=C\CCCCOCC 6f672bd2ab358cb454803e83d5c0e284 [1,0,0,0,0,0|2,0,1]=4 767 B10R0.71 CC/C=C\CCCOCCC 7fa768d31f02c71335efb28537f1ed87 [1,0,0,0,0,0|2,0,1]=4 768 B10R0.71 CC/C=C\CCNCCCC c4f059f6ebacdc59905230714b6eff68 [1,0,0,0,0,0|2,0,1]=4 769 B10R0.71 CC/C=C\CCOCCCC 8e83903dc8b2dc055f80be84ab4a3d9c [1,0,0,0,0,0|0,0,3]=4 770 B10R0.71 CC/C=C\COCCCCC 273210e5829d96509e829e222979bc8b [1,0,0,0,0,0|2,0,1]=4 771 B10R0.71 CC=CCCCOCCCC b937b4ad4c5d1a608e7129c714e871ac [1,0,0,0,0,0|0,0,3]=4 772 B10R0.71 CC=CCOCCCCCC a58ad78e13367fd9a0795b0d0efdc386 [1,0,0,0,0,0|0,0,3]=4 773 B10R0.71 CCC#CCCOCCCC 164797f680cff0f6ad3f9b55f3918282 [1,0,0,0,0,0|0,0,3]=4 774 B10R0.71 CCC/C=C/CCCOCC 96c575cc0a2c58edec4b18e8b3051827 [1,0,0,0,0,0|2,0,0]=3 775 B10R0.71 CCC/C=C/CCCOCF 98b0df28fed8e58ca594810e577c0b52 [1,0,0,0,0,0|3,0,0]=4 776 B10R0.71 CCC/C=C/CNCCCC eb6f385e07ebf81c43b715a8e6898101 [1,0,0,0,0,0|2,0,0]=3 777 B10R0.71 CCC/C=C/CNCCCCl 2a631264018e960a882a9c7d88e35448 [1,0,0,0,0,0|3,0,0]=4 778 B10R0.71 CCC/C=C/CNCCCO 7b5b1f32f3ba47219ba367ef60e6a076 [1,0,0,0,0,0|3,0,0]=4 779 B10R0.71 CCC/C=C/CNCCOC 1834877b3a02f74dd66b3368c830d003 [1,0,0,0,0,0|3,0,0]=4 780 B10R0.71 CCC/C=C/CNCCSC cff9b66e330f122d2cb2e38a8625314a [1,0,0,0,0,0|3,0,0]=4 781 B10R0.71 CCC/C=C/COCCCC 5cb7fad967976b46414fd1e0981df754 [1,0,0,0,0,0|2,0,0]=3 782 B10R0.71 CCC/C=C/COCCCF fd38a60d8b4b3155ce3d8bd9b5a36fe0 [1,0,0,0,0,0|3,0,0]=4 783 B10R0.71 CCC/C=C/COCCCS a3127fea6f7de2c2c1cc75ec845273ca [1,0,0,0,0,0|3,0,0]=4 784 B10R0.71 CCC/C=C/COCCOC 8b48098d1b42b8217b38413e44362209 [1,0,0,0,0,0|3,0,0]=4 785 B10R0.71 CCC/C=C/COCCSC a935db1c7efc6d83d03e08a390a1d1ce [1,0,0,0,0,0|3,0,0]=4 786 B10R0.71 CCC/C=C/COCOCC d280135abd2c33aad6c1f6ebc51a0a61 [1,0,0,0,0,0|3,0,0]=4 787 B10R0.71 CCC/C=C\CCCOCC 1c8765980afe95de3eca026e03130832 [1,0,0,0,0,0|2,0,0]=3 788 B10R0.71 CCC/C=C\CCCOCF 50493cf0adac96e55ae6ed8db7b67534 [1,0,0,0,0,0|3,0,0]=4 789 B10R0.71 CCC/C=C\CCOCCC affe8f34b74549b94b8274cb3a319479 [1,0,0,0,0,0|2,0,0]=3 790 B10R0.71 CCC/C=C\CCOCCF 83ffd82ab19f1fef104785fb89831535 [1,0,0,0,0,0|3,0,0]=4 791 B10R0.71 CCC/C=C\CCOCCS 205082f7fa7fb9e497dba53835e648e3 [1,0,0,0,0,0|3,0,0]=4 792 B10R0.71 CCC/C=C\CCOCOC 4c902c7028d4a6b2ae5784ead2ad9e7f [1,0,0,0,0,0|3,0,0]=4 793 B10R0.71 CCC/C=C\CCOCSC 9f821fff258192e14e0436b337398bed [1,0,0,0,0,0|3,0,0]=4 794 B10R0.71 CCC/C=C\CNCCCC bec0667c6be34c83c909fc9cd36559c3 [1,0,0,0,0,0|2,0,0]=3 795 B10R0.71 CCC/C=C\CNCCCCl dc7e58b4cb44aa8c77c570a0a7e547fa [1,0,0,0,0,0|3,0,0]=4 796 B10R0.71 CCC/C=C\CNCCCO 0c1e5eb36810f8e1091abebdee101c49 [1,0,0,0,0,0|3,0,0]=4 797 B10R0.71 CCC/C=C\CNCCOC 9b69ed27e484cd80c0b145d2676e3a75 [1,0,0,0,0,0|3,0,0]=4 798 B10R0.71 CCC/C=C\CNCCSC ab8c372b9a872750ad9eecb39daab022 [1,0,0,0,0,0|3,0,0]=4 799 B10R0.71 CCC/C=C\COCCCC 12552b98ae2ab17ee7aaf14497e6f771 [1,0,0,0,0,0|2,0,0]=3 800 B10R0.71 CCC/C=C\COCCCF 8fd0bd7bf500cf190978432f91f83224 [1,0,0,0,0,0|3,0,0]=4 801 B10R0.71 CCC/C=C\COCCCS 448e1ad6e452602c6124aecd9c2d58a7 [1,0,0,0,0,0|3,0,0]=4 802 B10R0.71 CCC/C=C\COCCOC 07d68c8f2b746de5b5301333d471291c [1,0,0,0,0,0|3,0,0]=4 803 B10R0.71 CCC/C=C\COCCSC 384ee6f65c09c5fab77e23a50b68f611 [1,0,0,0,0,0|3,0,0]=4 804 B10R0.71 CCC/C=C\COCOCC c143e8b3ae3a1dcfbf1ffe3b381d116c [1,0,0,0,0,0|3,0,0]=4 805 B10R0.71 CCCC#CCCOCCC 9d371ccc704f01f8e34c17fed94acae5 [1,0,0,0,0,0|2,0,1]=4 806 B10R0.71 CCCC#CCOCCCC 3a9b7ab043d317d55165792d5b31d2df [1,0,0,0,0,0|0,0,3]=4 807 B10R0.71 CCCC=C=CCCOCC ecd2330b3e2fc365c563b385894a4c95 [1,0,0,0,0,0|2,0,1]=4 808 B10R0.71 CCCCCCCCNCC f45798325e076f51813ed9475990e935 [1,0,0,0,0,0|2,0,1]=4 809 B10R0.71 CCCCCCCCOCC fdf9c57b26dc59eebf4df9f9dff7ab11 [1,0,0,0,0,0|2,0,1]=4 810 B10R0.71 CCCCCCCNCCBr 153a3c6e2c01a151374cf28481aa6eb9 [1,0,0,0,0,0|3,0,0]=4 811 B10R0.71 CCCCCCCNCCC 8f428c22239379f79b42eeff6f848027 [1,0,0,0,0,0|2,0,0]=3 812 B10R0.71 CCCCCCCNCCF 0cbe21085ad34c7f5a2177d0ffae2a78 [1,0,0,0,0,0|3,0,0]=4 813 B10R0.71 CCCCCCCNCCI b568dedc350f2457598188b0074522f8 [1,0,0,0,0,0|3,0,0]=4 814 B10R0.71 CCCCCCCNCCO b00594b2eda448f3d37260fcc9ae8d77 [1,0,0,0,0,0|3,0,0]=4 815 B10R0.71 CCCCCCCNCCS 83786bb22ec9056731e6cce6fe301f14 [1,0,0,0,0,0|3,0,0]=4 816 B10R0.71 CCCCCCCNCOC f2d51f45d743c2c6bb60d201a5c48204 [1,0,0,0,0,0|3,0,0]=4 817 B10R0.71 CCCCCCCNCSC 2214e2f762d7beb04324a118c724f12c [1,0,0,0,0,0|3,0,0]=4 818 B10R0.71 CCCCCCCOCCC 2dbba9d2fa88b26583f5d2ac3d741b24 [1,0,0,0,0,0|2,0,0]=3 819 B10R0.71 CCCCCCCOCCF 2e8dd6a0af3d2b30f6f325a750e2f8e8 [1,0,0,0,0,0|3,0,0]=4 820 B10R0.71 CCCCCCCOCCS d905d762a9b7d322c87213c7c56ba37f [1,0,0,0,0,0|3,0,0]=4 821 B10R0.71 CCCCCCCOCOC 5ce19ed9c6e4108e173e3dc063eaeb4e [1,0,0,0,0,0|3,0,0]=4 822 B10R0.71 CCCCCCCOCSC 08ad92cc4f51e014a7301f82e1b9552e [1,0,0,0,0,0|3,0,0]=4 823 B10R0.71 CCCCCCNCCCC 20be2e0525a624157bc2fad46d2186d5 [1,0,0,0,0,0|1,0,1]=3 824 B10R0.71 CCCCCCNCCCCl 798c3b78fda1b44bfc2a5866fd849b4a [1,0,0,0,0,0|2,0,1]=4 825 B10R0.71 CCCCCCNCCCF ec8ad93e9495e1afdc7ceb0355e5c789 [1,0,0,0,0,0|2,0,1]=4 826 B10R0.71 CCCCCCNCCCO 5bc4d9addd0075b9ea454b7e30b2b20c [1,0,0,0,0,0|2,0,1]=4 827 B10R0.71 CCCCCCNCCCS 8c1aea017c53a004a3a57f13df4016f5 [1,0,0,0,0,0|2,0,1]=4 828 B10R0.71 CCCCCCNCCOC d8a9b2ae4f4d1a2408c43a2120d332fc [1,0,0,0,0,0|2,0,1]=4 829 B10R0.71 CCCCCCNCCSC 03f05656133e75b7ef05cf7e7a9686cd [1,0,0,0,0,0|2,0,1]=4 830 B10R0.71 CCCCCCNCOCC 0b2dadfdd556d2bf502aa4112d950603 [1,0,0,0,0,0|2,0,1]=4 831 B10R0.71 CCCCCCOCCC#N df918a6bf56055cc68eaa0febc6250f6 [1,0,0,0,0,0|1,0,2]=4 832 B10R0.71 CCCCCCOCCC=O 52e11fbfda6e705332503dbf6ca57c21 [1,0,0,0,0,0|1,0,2]=4 833 B10R0.71 CCCCCCOCCCC 938d0ec0b6adc0f1b39dbfc036e22e02 [1,0,0,0,0,0|0,0,1]=2 834 B10R0.71 CCCCCCOCCCF 96181b976d7354be2077b197619bb942 [1,0,0,0,0,0|1,0,1]=3 835 B10R0.71 CCCCCCOCCCS 5fa58b5367e16182182d2f61e5d955a0 [1,0,0,0,0,0|1,0,1]=3 836 B10R0.71 CCCCCCOCCOC 498c1d974b36c5798a5345f99389e8d2 [1,0,0,0,0,0|1,0,1]=3 837 B10R0.71 CCCCCCOCCSC a2fa5d10e923435988e5eb6eaf926cde [1,0,0,0,0,0|1,0,1]=3 838 B10R0.71 CCCCCCOCOCC de7091207636fc19f355a981992b8eb3 [1,0,0,0,0,0|1,0,1]=3 839 B10R0.71 CCCCCNCCCCC fc6b1fbee2ae20e668586a93426dce7b [1,0,0,0,0,0|2,0,1]=4 840 B10R0.71 CCCCCOCCCCC 6be65cbda65609b70fc256077c9081b0 [1,0,0,0,0,0|2,0,1]=4 841 B10R0.71 CCCCNCCCCCCl 17907e10bc8ae216fc19d4f50e0355d8 [1,0,0,0,0,0|2,0,1]=4 842 B10R0.71 CCCCNCCCCCF ecb524fdab50cb363fd9220f41e81b56 [1,0,0,0,0,0|2,0,1]=4 843 B10R0.71 CCCCNCCCCCO a568cb73440f8b5eb1a832482c6c8aa1 [1,0,0,0,0,0|2,0,1]=4 844 B10R0.71 CCCCNCCCCOC 8a51345137a99f78ee92600b49d2fddb [1,0,0,0,0,0|2,0,1]=4 845 B10R0.71 CCCCNCCCCSC 834064ffffe2ca860260d790d8b507c6 [1,0,0,0,0,0|2,0,1]=4 846 B10R0.71 CCCCNCCCOCC 4567bf18693d1425b182776ab5d89ce7 [1,0,0,0,0,0|2,0,1]=4 847 B10R0.71 CCCCNCCCSCC 63db814ee76aaab4513ac3ae6b0470e2 [1,0,0,0,0,0|2,0,1]=4 848 B10R0.71 CCCCNCCOCCC 3fcdc0cfe48703f2a83af0169c62729d [1,0,0,0,0,0|2,0,1]=4 849 B10R0.71 CCCCNCOCCCC 545e6748e00cac4bfa4dcccf944d1023 [1,0,0,0,0,0|1,0,1]=3 850 B10R0.71 CCCCNCOCCOC 1dd2d7a790540a31a6570455a64e2044 [1,0,0,0,0,0|2,0,1]=4 851 B10R0.71 CCCCOCCCCC#N 02ae7f84fca96cad6d15d62b1cbefcac [1,0,0,0,0,0|1,0,2]=4 852 B10R0.71 CCCCOCCCCC=O 87caad785ee1de0ab8952b818b81a155 [1,0,0,0,0,0|1,0,2]=4 853 B10R0.71 CCCCOCCCCCF aead05b2f46a954a77fb9b0d46a831a1 [1,0,0,0,0,0|1,0,1]=3 854 B10R0.71 CCCCOCCCCOC 1c665f9a80dbcc19a2506b93b11eeab3 [1,0,0,0,0,0|1,0,1]=3 855 B10R0.71 CCCCOCCCCSC 7e846181e45c3a440b01cd8ef8df47c8 [1,0,0,0,0,0|1,0,1]=3 856 B10R0.71 CCCCOCCCNCC 010734c4fdc877ac094389f744441162 [1,0,0,0,0,0|1,0,1]=3 857 B10R0.71 CCCCOCCCNCF fbaf21f03ebc1c1e24106466ca45cf49 [1,0,0,0,0,0|2,0,1]=4 858 B10R0.71 CCCCOCCCNCO 02310b457d19aea630613cfc6ae43a82 [1,0,0,0,0,0|2,0,1]=4 859 B10R0.71 CCCCOCCCOCC 1158a02552cfd2177bf76faa90c6df77 [1,0,0,0,0,0|1,0,1]=3 860 B10R0.71 CCCCOCCCOCF 5e73e928453faa57e5da7ba81a05056a [1,0,0,0,0,0|2,0,1]=4 861 B10R0.71 CCCCOCCCSCC e04cab22dc6501876d38fc7fb5563829 [1,0,0,0,0,0|1,0,1]=3 862 B10R0.71 CCCCOCCNCCBr dc73ca26cb11908f315e59292c2a4d63 [1,0,0,0,0,0|2,0,1]=4 863 B10R0.71 CCCCOCCNCCC c10c126aa77fae6dee2817c49229712d [1,0,0,0,0,0|1,0,1]=3 864 B10R0.71 CCCCOCCNCCF d8e8c882b31899018a61739e3f52cc6c [1,0,0,0,0,0|2,0,1]=4 865 B10R0.71 CCCCOCCNCCI 5a8cc801334ce93b97d6f903789fbdb6 [1,0,0,0,0,0|2,0,1]=4 866 B10R0.71 CCCCOCCNCCO cd255df0d112d9e8c8ef0cac0591fd4e [1,0,0,0,0,0|2,0,1]=4 867 B10R0.71 CCCCOCCNCCS 3510158d43a96868d7c62c4bece1f6ae [1,0,0,0,0,0|2,0,1]=4 868 B10R0.71 CCCCOCCNCOC 3d46e426fe208da12e5270741d2f7758 [1,0,0,0,0,0|2,0,1]=4 869 B10R0.71 CCCCOCCNCSC 23dca61e9f32c22306852e3b15bec4fd [1,0,0,0,0,0|2,0,1]=4 870 B10R0.71 CCCCOCCOCCC 62aa1933f9f6285673b3ff78d496fc74 [1,0,0,0,0,0|1,0,1]=3 871 B10R0.71 CCCCOCCOCCF 0e3907704345f6840513dbb7fe33a55b [1,0,0,0,0,0|2,0,1]=4 872 B10R0.71 CCCCOCCOCCS e527e16f2881ce18e3da73bad0736851 [1,0,0,0,0,0|2,0,1]=4 873 B10R0.71 CCCCOCCOCOC ac988a5aed77ca629caaf4c7819a46c6 [1,0,0,0,0,0|2,0,1]=4 874 B10R0.71 CCCCOCCOCSC a25829e4f34115af6afb1e4b0b83c031 [1,0,0,0,0,0|2,0,1]=4 875 B10R0.71 CCCCOCCSCCC dd7dd42c58efb56d123dfdb4ec52bdfa [1,0,0,0,0,0|1,0,1]=3 876 B10R0.71 CCCCOCNCCCCl fcf9b7c917900b18042cb26f0b2d4362 [1,0,0,0,0,0|2,0,1]=4 877 B10R0.71 CCCCOCNCCCO d649bca14d69eef2b8a68b32f4a61d75 [1,0,0,0,0,0|2,0,1]=4 878 B10R0.71 CCCCOCNCCOC 9661ef8359764d8623d11afe5498e300 [1,0,0,0,0,0|2,0,1]=4 879 B10R0.71 CCCCOCNCCSC 26fbd8ec66be974fcbd5a0526cb4b0d9 [1,0,0,0,0,0|2,0,1]=4 880 B10R0.71 CCCCOCOCCCC cab95224f5094c3b71980434e538b501 [1,0,0,0,0,0|1,0,1]=3 881 B10R0.71 CCCCOCOCCCF b24952fd54551c34fc7a3582b4f4b10f [1,0,0,0,0,0|2,0,1]=4 882 B10R0.71 CCCCOCOCCCS 93f4c58804d15cdcdbc12a98bf6cbca4 [1,0,0,0,0,0|2,0,1]=4 883 B10R0.71 CCCCOCOCCOC e1e6d52bf675f052f70a55e34a94bebd [1,0,0,0,0,0|2,0,1]=4 884 B10R0.71 CCCCOCOCCSC d930608e2de8d8b600f7619079ad5307 [1,0,0,0,0,0|2,0,1]=4 885 B10R0.71 CCCCSCCOCCC 042c613074bc2dcac09e3dbf40c6fdea [1,0,0,0,0,0|1,1,1]=4 886 B10R0.71 CCCNCCCCCCCl d9d02325ceabb1236feca69f9d260e06 [1,0,0,0,0,0|3,0,0]=4 887 B10R0.71 CCCNCCCCCCF 47bd30d6c6ebb4154ccfd3d84e3dd907 [1,0,0,0,0,0|3,0,0]=4 888 B10R0.71 CCCNCCCCCCO 957198384cd9904d687345e1f1a839fe [1,0,0,0,0,0|3,0,0]=4 889 B10R0.71 CCCNCCCCCOC fbe0af6a29e7bb390546dc0f24f036df [1,0,0,0,0,0|3,0,0]=4 890 B10R0.71 CCCNCCCCSCC 4fbccce5329f8a22f7d198bd04134133 [1,0,0,0,0,0|3,0,0]=4 891 B10R0.71 CCCNCCCOCCC 7fd6aca7b9f3bc59415db067623e55ef [1,0,0,0,0,0|3,0,0]=4 892 B10R0.71 CCCNCCOCCCO ce755d26bb38d7d0db74dd93ed4f675f [1,0,0,0,0,0|2,0,1]=4 893 B10R0.71 CCCNCCOCCOC 2cbde89089689bf854a3b933cabe6ba2 [1,0,0,0,0,0|2,0,1]=4 894 B10R0.71 CCCOCCCCCCF 72ffe3589386c933c936da7caa3f7256 [1,0,0,0,0,0|3,0,0]=4 895 B10R0.71 CCCOCCCCCCS 9237106df74f11c16d22d77a5b29e426 [1,0,0,0,0,0|3,0,0]=4 896 B10R0.71 CCCOCCCCCOC f0f1181da96b58975534715e6947023c [1,0,0,0,0,0|3,0,0]=4 897 B10R0.71 CCCOCCCOCCC f962260523633ca9eb2ae77ffb4aa792 [1,0,0,0,0,0|3,0,0]=4 898 B10R0.71 CCCOCCOCCCF f99eaf72f24d8c38f0025bb59317ae75 [1,0,0,0,0,0|2,0,1]=4 899 B10R0.71 CCCOCCOCCCS 29d48da73019a044d9e048470970d12c [1,0,0,0,0,0|2,0,1]=4 900 B10R0.71 CCCOCCOCCOC 1b06cdeb8b0ec10f0136b2c501e1354c [1,0,0,0,0,0|2,0,1]=4 901 B10R0.71 CCCOCCOCCSC dfd11617336747a54284534e611b2815 [1,0,0,0,0,0|2,0,1]=4 902 B10R0.71 CCCOCCOCOCC 100dd6040f41719744cddfe9d7650b59 [1,0,0,0,0,0|2,0,1]=4 903 B10R0.71 CCCSCCCCNCC 19a2007b09e5e2f3826f2c9805957fbb [1,0,0,0,0,0|3,0,0]=4 904 B10R0.71 CCCSCCOCCCF c2df45484e1f04796f55039c6c01149a [1,0,0,0,0,0|2,0,1]=4 905 B10R0.71 CCCSCCOCCCS 5c85cc065b8d075793169fe91e12b9a6 [1,0,0,0,0,0|2,0,1]=4 906 B10R0.71 CCCSCCOCCOC 6ee02793d5fe53c6051c2b73c029160a [1,0,0,0,0,0|2,0,1]=4 907 B10R0.71 CCCSCCOCCSC 619f33b0b6b5069ab424bef912e65bf1 [1,0,0,0,0,0|2,0,1]=4 908 B10R0.71 CCCSCCOCOCC 4185e41a27ecf720c5ad46b42494d0f9 [1,0,0,0,0,0|2,0,1]=4 909 B10R0.71 CCNCCCOCCCO 47d0e11f0fe7477fa63a8b913e01e66b [1,0,0,0,0,0|2,0,1]=4 910 B10R0.71 CCNCCCOCCOC 2b72e76c302d9f2c23aaf01a3b73ab0a [1,0,0,0,0,0|2,0,1]=4 911 B10R0.71 CCNCCCOCCSC f1f564b79311e99b3e72733e90006265 [1,0,0,0,0,0|2,0,1]=4 912 B10R0.71 CCOCCCOCCCF b35bf1ac62461dff8e8a6433d528ce47 [1,0,0,0,0,0|2,0,1]=4 913 B10R0.71 CCOCCCOCCCS 5a3fb37aab52a4b5c1a3633304843f2d [1,0,0,0,0,0|2,0,1]=4 914 B10R0.71 CCOCCCOCCOC 86d49f1c0e918986d65abbc263be35e3 [1,0,0,0,0,0|2,0,1]=4 915 B10R0.71 CCOCCCOCCSC 7e6593cfd8fbe8a0366c6c086d62c695 [1,0,0,0,0,0|2,0,1]=4 916 B10R0.71 CCOCCCOCOCC bda2c234d3de22b72b74da925ab0ea52 [1,0,0,0,0,0|2,0,1]=4 917 B10R0.71 CCOCOCCCCOC 915704c151d10769b6018e77d6159ac5 [1,0,0,0,0,0|2,0,1]=4 918 B10R0.71 CCOCOCCCCSC 775f9873e83d33ed64cef755812a1118 [1,0,0,0,0,0|2,0,1]=4 919 B10R0.71 CCOCOCCCSCC 0b74f7a6f67e9f31725361da5e9273b0 [1,0,0,0,0,0|2,0,1]=4 920 B10R0.71 CCSCCCOCCCF da8ebf8ef956a447a2622665209066ff [1,0,0,0,0,0|2,0,1]=4 921 B10R0.71 CCSCCCOCCCS 20e48a9db1d8288875a5ef6318b27a21 [1,0,0,0,0,0|2,0,1]=4 922 B10R0.71 CCSCCCOCCOC 184324569a695c14f2d49871f1e33d60 [1,0,0,0,0,0|2,0,1]=4 923 B10R0.71 CCSCCCOCCSC 21daf581564f85521ee1e3a25d829227 [1,0,0,0,0,0|2,0,1]=4 924 B10R0.71 COCCCCOCCCF e6872cd38809d1806361f7ad32f2a527 [1,0,0,0,0,0|2,0,1]=4 925 B10R0.71 COCCCCOCCCS ab904d46ca6f0f0892fbfc7c57dda8ab [1,0,0,0,0,0|2,0,1]=4 926 B10R0.71 COCCCCOCCOC 379baa265a89cf9fa652b6f6ebaa5e6d [1,0,0,0,0,0|2,0,1]=4 927 B10R0.71 COCCCCOCCSC b497ccff6bc26ea83e7425dcecf604f3 [1,0,0,0,0,0|2,0,1]=4 928 B10R0.71 COCCOCCCCCF 4e5f4f6eedb72d35ca16a01d8e944d7b [1,0,0,0,0,0|2,0,1]=4 929 B10R0.71 COCCOCCCCSC 9a3d705a7acc5ce3f2ef2242637c187e [1,0,0,0,0,0|2,0,1]=4 930 B10R0.71 CSCCCCOCCCF 8a1b3a8e971206055dce912e15fae07c [1,0,0,0,0,0|2,0,1]=4 931 B10R0.71 CSCCCCOCCCS 60cea5c30a0a6951485423c11433ff52 [1,0,0,0,0,0|2,0,1]=4 932 B10R0.71 CSCCCCOCCSC 7774efcc9171d86a8214b5f2ec5d591f [1,0,0,0,0,0|2,0,1]=4 933 B10R0.71 CSCCOCCCCCF c91dfc969bda30e8e6509f126ab4281b [1,0,0,0,0,0|2,0,1]=4 934 B10R0.71 FCCCCCOCCCF a52d1e432f2925cef5d8939d3ad10c4a [1,0,0,0,0,0|2,0,1]=4 935 B10R0.71 FCCCCCOCCCS 798f59dd060c2f4d944bccba177b7e14 [1,0,0,0,0,0|2,0,1]=4 936 B10R0.74 C#CC(=O)NCCCCCC 9ce0dcb0417530c831957f5468426ec6 [1,0,0,0,0,0|1,0,2]=4 937 B10R0.74 C#CCCCCNC(=O)CC 905ddcf3dfdb08776af0009f7eb22b15 [1,0,0,0,0,0|1,0,2]=4 938 B10R0.74 C#CCCNCOC(=O)CC 63fb0bc677fd1dbf16d22325ff00bd2c [1,0,0,0,0,0|1,0,2]=4 939 B10R0.74 C#CCCOCOC(=O)CC 6605460fe2dd7b4ef5a76babfdfa4d74 [1,0,0,0,0,0|1,0,2]=4 940 B10R0.74 C#CCOCCOC(=O)CC b64f2b242877dc7c7d86e43c2819d350 [1,0,0,0,0,0|1,0,2]=4 941 B10R0.74 C/C=C/COCOC(=O)CC 44774bc2aa28d40c9ad940049b670606 [1,0,0,0,0,0|1,0,2]=4 942 B10R0.74 C/C=C\COCOC(=O)CC 4d5736899cb6e7814d58b787b16199b3 [1,0,0,0,0,0|1,0,2]=4 943 B10R0.74 C=C(C=O)OCCCCCC 940d42a6ab41c79281a642305f54c21a [1,0,0,0,0,0|2,0,1]=4 944 B10R0.74 C=C(CC)CNCCCCC 8ea0f8842832f35f75f80e057ba25f3c [1,0,0,0,0,0|3,0,0]=4 945 B10R0.74 C=C(CC)COCCCCC 75a076fa5d2b53a201e5a9dd953cf8d1 [1,0,0,0,0,0|3,0,0]=4 946 B10R0.74 C=CC(=O)NCCCCCC 88ce4279cd9f4230d78384982723ab15 [1,0,0,0,0,0|1,0,2]=4 947 B10R0.74 C=CC(=O)OCCNCCC dc3d9fb28749e0db9da8f5b756c6273e [1,0,0,0,0,0|1,0,2]=4 948 B10R0.74 C=CC(=O)OCCOCCC 58d9a252ddc93e7a4f2569b1795784b6 [1,0,0,0,0,0|1,0,2]=4 949 B10R0.74 C=CCCCCNC(=O)CC 100c7380435002fc66a3df3f6174cb33 [1,0,0,0,0,0|1,0,2]=4 950 B10R0.74 C=CCCNCOC(=O)CC ce9afddea68cafc4784f4d9ab8188256 [1,0,0,0,0,0|1,0,2]=4 951 B10R0.74 C=CCCOCOC(=O)CC a146581b06b884e09651af0166d94113 [1,0,0,0,0,0|1,0,2]=4 952 B10R0.74 C=CCOCCOC(=O)CC 2e7e6ea791520486a4468b3dc7280dcf [1,0,0,0,0,0|1,0,2]=4 953 B10R0.74 CC#CCOCOC(=O)CC 2a71d0932cb9bb3c8e055176699aecb7 [1,0,0,0,0,0|1,0,2]=4 954 B10R0.74 CC=CCNCOC(=O)CC f592dee44c3d9467f9a4f9706840fcf0 [1,0,0,0,0,0|1,0,2]=4 955 B10R0.74 CC=CCOCOC(=O)CC 42fba2d6d607cbfc581faa03b79b9624 [1,0,0,0,0,0|1,0,2]=4 956 B10R0.74 CCC(=O)CNCCCCCl 58b326e56bd105b75957a3417ada4b94 [1,0,0,0,0,0|3,0,0]=4 957 B10R0.74 CCC(=O)CNCCCCO afa336155d3d50267b56893fb4eea6a2 [1,0,0,0,0,0|3,0,0]=4 958 B10R0.74 CCC(=O)CNCCCCS 89d3a8e0e76cf4458dea73594882c77e [1,0,0,0,0,0|3,0,0]=4 959 B10R0.74 CCC(=O)CNCCCOC 796b52210881430f2b55b106f0eae362 [1,0,0,0,0,0|3,0,0]=4 960 B10R0.74 CCC(=O)CNCCCSC 937029030da1b54e36436a66ae1644dc [1,0,0,0,0,0|3,0,0]=4 961 B10R0.74 CCC(=O)COCCCCF 4256b82eb7b4015a55aaae3b4f33c831 [1,0,0,0,0,0|3,0,0]=4 962 B10R0.74 CCC(=O)COCCCCS 6565f26a778339bd381373257b145382 [1,0,0,0,0,0|3,0,0]=4 963 B10R0.74 CCC(=O)COCCCOC 1151fd7fb421340ad8cdf3f7159df49b [1,0,0,0,0,0|3,0,0]=4 964 B10R0.74 CCC(=O)COCCCSC 1eae8353d4c4b23362968ab5d33e2b0f [1,0,0,0,0,0|3,0,0]=4 965 B10R0.74 CCC(=O)NCCCCC#N 720d6d1e9d467d505504d4e767692fea [1,0,0,0,0,0|2,0,1]=4 966 B10R0.74 CCC(=O)NCCCCCCl 719912c2fc32999aaca586ce6a33a4fc [1,0,0,0,0,0|2,0,0]=3 967 B10R0.74 CCC(=O)NCCCCCO 1c6fabc29010351852246ff1decd06a1 [1,0,0,0,0,0|2,0,0]=3 968 B10R0.74 CCC(=O)NCCCCOC 304fb086e3dbdc4472ef768bd3e17d25 [1,0,0,0,0,0|2,0,0]=3 969 B10R0.74 CCC(=O)NCCCCSC e2aaa2c9252a2834ce862f0cb7545c18 [1,0,0,0,0,0|2,0,0]=3 970 B10R0.74 CCC(=O)NCCNCCF fd25c97c5eb8a1172b86ccaa5061596f [1,0,0,0,0,0|3,0,0]=4 971 B10R0.74 CCC(=O)NCCNCCO ba12937f5401ba778b8513ef4b4fc91e [1,0,0,0,0,0|3,0,0]=4 972 B10R0.74 CCC(=O)NCCNCCS 16d2dc47cbcafd15a354c934e01318cf [1,0,0,0,0,0|3,0,0]=4 973 B10R0.74 CCC(=O)NCCNCOC 9952a345c9a8cdd34adffb1944c6583a [1,0,0,0,0,0|3,0,0]=4 974 B10R0.74 CCC(=O)NCCNCSC 1f89b175f4a6052942478ab519ca7a93 [1,0,0,0,0,0|3,0,0]=4 975 B10R0.74 CCC(=O)NCCOCCF 9aab78011bfd00861df1eb2b3213a78e [1,0,0,0,0,0|3,0,0]=4 976 B10R0.74 CCC(=O)NCCOCCO daf4c2cc3bcbeca643ffd0a9313a2e7b [1,0,0,0,0,0|3,0,0]=4 977 B10R0.74 CCC(=O)NCCOCCS 8e0cea67279d82f3f36c10876f639d56 [1,0,0,0,0,0|3,0,0]=4 978 B10R0.74 CCC(=O)NCCOCOC cc0047c265870a2ef78ee1130fdac00d [1,0,0,0,0,0|3,0,0]=4 979 B10R0.74 CCC(=O)NCCOCSC b7d157b0d453a2190330c83a1a4ecc78 [1,0,0,0,0,0|3,0,0]=4 980 B10R0.74 CCC(=O)NCCSCCO b08969d3025803381e2ce07c6d765d5c [1,0,0,0,0,0|3,0,0]=4 981 B10R0.74 CCC(=O)OCCOCC#N f571c09afb49ea7fd8de9d433651645b [1,0,0,0,0,0|2,0,1]=4 982 B10R0.74 CCC(=O)OCCOCC=O 5a0aeb87cb5895fedfe8179b99fec552 [1,0,0,0,0,0|2,0,1]=4 983 B10R0.74 CCC(=O)OCCOCCF 75e8b54fcf29a0e03136f1625a8b73df [1,0,0,0,0,0|2,0,0]=3 984 B10R0.74 CCC(=O)OCCOCCS ffcfb497b0e8e847d2aae5949bcc3b02 [1,0,0,0,0,0|2,0,0]=3 985 B10R0.74 CCC(=O)OCCOCOC b0cf2670be1c51cb7d28b494dab7a281 [1,0,0,0,0,0|2,0,0]=3 986 B10R0.74 CCC(=O)OCCOCSC 53ccdfd0347d71d18fb8deaa419fd0a6 [1,0,0,0,0,0|2,0,0]=3 987 B10R0.74 CCC(=O)OCNCCC#N 53662183dc86fe174719b5e219519c53 [1,0,0,0,0,0|2,0,1]=4 988 B10R0.74 CCC(=O)OCNCCCCl 3d8db2c007ee67b725b045806166e035 [1,0,0,0,0,0|2,0,0]=3 989 B10R0.74 CCC(=O)OCNCCCO 038039977670cebe6ece45337cd238e4 [1,0,0,0,0,0|2,0,0]=3 990 B10R0.74 CCC(=O)OCNCCOC 19bf9954c4a78b1e0c8476c5a32711c3 [1,0,0,0,0,0|2,0,0]=3 991 B10R0.74 CCC(=O)OCNCCON e9850ce7ad9fa8661e681f3cc655dd36 [1,0,0,0,0,0|3,0,0]=4 992 B10R0.74 CCC(=O)OCNCCSC 1623c48f18ffa5605d5dd5fa66efd68a [1,0,0,0,0,0|2,0,0]=3 993 B10R0.74 CCC(=O)OCOCCC#N 7388eafa3589b5c050b56bc0ca3bb2f8 [1,0,0,0,0,0|2,0,1]=4 994 B10R0.74 CCC(=O)OCOCCC=O 875c3d67720fd33954ac8dff82742af8 [1,0,0,0,0,0|2,0,1]=4 995 B10R0.74 CCC(=O)OCOCCCF 4bdc784745e5892b79d18d7d77771a86 [1,0,0,0,0,0|2,0,0]=3 996 B10R0.74 CCC(=O)OCOCCCS 53066e59b6649572f039e13de7b59bf7 [1,0,0,0,0,0|2,0,0]=3 997 B10R0.74 CCC(=O)OCOCCOC 48126896527ee72db031c83f3c78ba34 [1,0,0,0,0,0|2,0,0]=3 998 B10R0.74 CCC(=O)OCOCCSC 7579e4f5a08aefdb6810fe47748d055a [1,0,0,0,0,0|2,0,0]=3 999 B10R0.74 CCC(C)OCCCCCF 6a3c3628c413a5f1aac0fa42f865c11e [1,0,0,0,0,0|2,0,1]=4 1000 B10R0.74 CCC(C)OCCCCOC ad8bf65f6e256901999a50e5f0b60b29 [1,0,0,0,0,0|2,0,1]=4 1001 B10R0.74 CCC(C)OCCCCSC 1c9a1f1356fd194ef59b3947619dc07a [1,0,0,0,0,0|2,0,1]=4 1002 B10R0.74 CCCCCCCN(C)CC 47b76648ffaec1d683c10fbd55b8b760 [1,0,0,0,0,0|3,0,0]=4 1003 B10R0.74 CCCCCCNC(=O)C=O 77542971675e4c1be34f9cc380438664 [1,0,0,0,0,0|2,0,1]=4 1004 B10R0.74 CCCCCCNC(=O)CC f0032df3cc8c2000bc1576b718e1412f [1,0,0,0,0,0|1,0,0]=2 1005 B10R0.74 CCCCCCNC(=O)CF 738680f040b17c056aa0d8344a6ec8af [1,0,0,0,0,0|2,0,0]=3 1006 B10R0.74 CCCCCCNC(=O)CO e8cf9f23cdf04b79897a080a69f10636 [1,0,0,0,0,0|2,0,0]=3 1007 B10R0.74 CCCCCCNC(=O)CS 3e91e20700d92addaced40b0a6fc3a10 [1,0,0,0,0,0|2,0,0]=3 1008 B10R0.74 CCCCCCNC(C)CC 53e44df6969c0f5db5e2ae20e833ced2 [1,0,0,0,0,0|2,0,1]=4 1009 B10R0.74 CCCCCCN[C@@H](C)CC af6ba5f4188670da2e5b1f8dc87a134c [1,0,0,0,0,0|2,0,1]=4 1010 B10R0.74 CCCCCCN[C@H](C)CC 83007d10aa75918c4280ed98b36f2e5b [1,0,0,0,0,0|2,0,1]=4 1011 B10R0.74 CCCCCCOC(C)CC 63a0e53b4936ff9a126507b425b4f873 [1,0,0,0,0,0|1,0,1]=3 1012 B10R0.74 CCCCCCOC(C)CF 557b2cc9d2559881448b3b495b5b2844 [1,0,0,0,0,0|2,0,1]=4 1013 B10R0.74 CCCCCCOC(C)CS 264de8c1030f8b41581807164d9c2c3b [1,0,0,0,0,0|2,0,1]=4 1014 B10R0.74 CCCCCCO[C@@H](C)CC 913d8fe5eb0dc2cd00df16877f67de0e [1,0,0,0,0,0|1,0,1]=3 1015 B10R0.74 CCCCCCO[C@H](C)CC c063b7a21fad8b8f0def39d173f79e48 [1,0,0,0,0,0|1,0,1]=3 1016 B10R0.74 CCCCCCO[C@H](C)CS 480e95b08328620db840677e0b53babf [1,0,0,0,0,0|2,0,1]=4 1017 B10R0.74 CCCCCNCC(=O)CC 9dd2e224792ae6d66bce0b7cb1ae679b [1,0,0,0,0,0|2,0,0]=3 1018 B10R0.74 CCCCCNCC(=O)CO 6b2786aaa9795a5c5117cb363febeda7 [1,0,0,0,0,0|3,0,0]=4 1019 B10R0.74 CCCCCNCC(=O)NC 824806198187a2c8b60b648f0512f923 [1,0,0,0,0,0|3,0,0]=4 1020 B10R0.74 CCCCCNCC(=O)OC 648365248fe1587b1bbc2cd6174118d5 [1,0,0,0,0,0|3,0,0]=4 1021 B10R0.74 CCCCCOCC(=O)CC dbc68622c1630e1162d4ac42bae10c20 [1,0,0,0,0,0|2,0,0]=3 1022 B10R0.74 CCCCCOCC(=O)NC 7963aeae3ec675f3acaacb8898855202 [1,0,0,0,0,0|3,0,0]=4 1023 B10R0.74 CCCCCOCC(=O)OC b7118d3515803bc38039c9851ac2a113 [1,0,0,0,0,0|3,0,0]=4 1024 B10R0.74 CCCCNCCC(=O)NC 9358a84b45aa382250269cc4a432e002 [1,0,0,0,0,0|3,0,0]=4 1025 B10R0.74 CCCCNCCC(=O)OC 09ad74908609854771fdcf0490c9897c [1,0,0,0,0,0|3,0,0]=4 1026 B10R0.74 CCCCNCCS(=O)CC 4f7fd15358b9a857942c5bba78d45605 [1,0,0,0,0,0|3,0,0]=4 1027 B10R0.74 CCCCNCOC(=O)CC e0b802cea9bb962c4bfe33b428a79424 [1,0,0,0,0,0|1,0,0]=2 1028 B10R0.74 CCCCNCOC(=O)OC b9862ebe4e8cf9ca635d6e2c0b6a69d3 [1,0,0,0,0,0|2,0,0]=3 1029 B10R0.74 CCCCOCCC(=O)NC 45b320f2a23c3fb98d60c20a9148826e [1,0,0,0,0,0|3,0,0]=4 1030 B10R0.74 CCCCOCCC(=O)OC e3be7e6d51b5d91e883aedbf1fdb6a9f [1,0,0,0,0,0|3,0,0]=4 1031 B10R0.74 CCCCOCCS(=O)CC a4f32aa190e55e60f786e86eb5a7eb42 [1,0,0,0,0,0|3,0,0]=4 1032 B10R0.74 CCCCOCOC(=O)CC 79f92447ebf68bdbe7c87af9f238ac09 [1,0,0,0,0,0|1,0,0]=2 1033 B10R0.74 CCCCOCOC(=O)OC f2b08abd9d6a5d7efd1cbb987a41251e [1,0,0,0,0,0|2,0,0]=3 1034 B10R0.74 CCCCOCOC(C)CC b1b4b0a9028982023e445a30acf0111b [1,0,0,0,0,0|2,0,1]=4 1035 B10R0.74 CCCCOCO[C@@H](C)CC cb49f022c3ab9d1366df5238e6c3b898 [1,0,0,0,0,0|2,0,1]=4 1036 B10R0.74 CCCCOCO[C@H](C)CC de52d6cb33e0e7e7e6b0bc636cc3594c [1,0,0,0,0,0|2,0,1]=4 1037 B10R0.74 CCCNCCCC(=O)NC a3b31883785f33a03890cefb42b1d82a [1,0,0,0,0,0|3,0,0]=4 1038 B10R0.74 CCCNCCCC(=O)OC b16643f72059eae0ad94565e3f229a1f [1,0,0,0,0,0|3,0,0]=4 1039 B10R0.74 CCCNCCNC(=O)CC 654790e0c463f303ea5b5f1e104b3b23 [1,0,0,0,0,0|2,0,0]=3 1040 B10R0.74 CCCOCCCC(=O)NC 47cc15a6d3336cd77ff2e352f7e46945 [1,0,0,0,0,0|3,0,0]=4 1041 B10R0.74 CCCOCCCC(=O)OC 6777d826a7092669282f32ac583d5482 [1,0,0,0,0,0|3,0,0]=4 1042 B10R0.74 CCCOCCNC(=O)CC 37663f297721ace7d18f666f43feb975 [1,0,0,0,0,0|2,0,0]=3 1043 B10R0.74 CCCOCCNC(=O)CF 5013b76951d3f24534e4a2f4ef6f16d8 [1,0,0,0,0,0|3,0,0]=4 1044 B10R0.74 CCCOCCNC(=O)CO 2ce5430bc5513b3c98ba20d9c18070bf [1,0,0,0,0,0|3,0,0]=4 1045 B10R0.74 CCCOCCNC(=O)CS bc82f7eca67c7644035f9bc9a0838786 [1,0,0,0,0,0|3,0,0]=4 1046 B10R0.74 CCCOCCOC(=O)CC 0266b80a03c10e2cb61b113dd4b9130c [1,0,0,0,0,0|1,0,0]=2 1047 B10R0.74 CCCOCCOC(=O)OC 19df69bdbd15a1dd1020380f97d55a25 [1,0,0,0,0,0|2,0,0]=3 1048 B10R0.74 CCCOCCOC(C)CC caa02544192185eca0b2f14146ba92c3 [1,0,0,0,0,0|2,0,1]=4 1049 B10R0.74 CCCOCCO[C@@H](C)CC 1788ab32bc60c6e109792f373c0a19a4 [1,0,0,0,0,0|2,0,1]=4 1050 B10R0.74 CCCOCCO[C@H](C)CC 1b07f88c4baf03d429c02bfb85ce8c6b [1,0,0,0,0,0|2,0,1]=4 1051 B10R0.74 CCCSCCOC(C)CC 2733f49a83cc68881a8534ace6386d1a [1,0,0,0,0,0|2,0,1]=4 1052 B10R0.74 CCNCCCCC(=O)OC 2fc49225e902a66c0506ebb2378fe230 [1,0,0,0,0,0|3,0,0]=4 1053 B10R0.74 CCOCCCCC(=O)OC 26c440802f326860db2c18e76f91ac90 [1,0,0,0,0,0|3,0,0]=4 1054 B10R0.74 CCOCCCNC(=O)CC 32ec07714ce8038f039e2cd922179ddc [1,0,0,0,0,0|2,0,0]=3 1055 B10R0.74 CCOCCCNC(=O)CF 582805b2461cea727120fee2c8152f5b [1,0,0,0,0,0|3,0,0]=4 1056 B10R0.74 CCOCCCNC(=O)CO de34d34d4a02261ee053fc87ff9ef871 [1,0,0,0,0,0|3,0,0]=4 1057 B10R0.74 CCOCCCNC(=O)CS 9aee97d749c5222418402473db97a090 [1,0,0,0,0,0|3,0,0]=4 1058 B10R0.74 CCOCCCOC(C)CC 1cc6268698b2b659715eacd8fc564a82 [1,0,0,0,0,0|2,0,1]=4 1059 B10R0.74 CCOCCCO[C@@H](C)CC 9b42b4c7539ecd40408526db65ae8f63 [1,0,0,0,0,0|2,0,1]=4 1060 B10R0.74 CCOCCCO[C@H](C)CC 2d084986b28a59e397ad245961112c15 [1,0,0,0,0,0|2,0,1]=4 1061 B10R0.74 CCOCCNCC(=O)CC d7706193ea63d1501ba50869205a2155 [1,0,0,0,0,0|3,0,0]=4 1062 B10R0.74 CCOCCOCC(=O)CC f5ee646e9c774eb801506681a591586a [1,0,0,0,0,0|3,0,0]=4 1063 B10R0.74 CCSCCCOC(C)CC 1b107a43579c4e83b65068858d994eb9 [1,0,0,0,0,0|2,0,1]=4 1064 B10R0.74 CCSCCCO[C@@H](C)CC 748a85663364fe07fba2583562f8e5dc [1,0,0,0,0,0|2,0,1]=4 1065 B10R0.74 CCSCCCO[C@H](C)CC 68b48412af8d72ee9b1bfb34940a7d55 [1,0,0,0,0,0|2,0,1]=4 1066 B10R0.74 CCSCCNCC(=O)CC ea42e9803fa591d5438d4ed46e472050 [1,0,0,0,0,0|3,0,0]=4 1067 B10R0.74 CCSCCOCC(=O)CC 82de2cead989ad44946e29a17907e2c4 [1,0,0,0,0,0|3,0,0]=4 1068 B10R0.74 CC[C@@H](C)OCCCCCF fe7bde4b10b0c741125aafe39950f0b4 [1,0,0,0,0,0|2,0,1]=4 1069 B10R0.74 CC[C@@H](C)OCCCCOC 27719c27b555bb466cd80659ee9649c2 [1,0,0,0,0,0|2,0,1]=4 1070 B10R0.74 CC[C@H](C)OCCCCCF 91a7577f977af415fb6b736c966e0fff [1,0,0,0,0,0|2,0,1]=4 1071 B10R0.74 CC[C@H](C)OCCCCOC a3d2e080ef653b7977f65fcdc269a75a [1,0,0,0,0,0|2,0,1]=4 1072 B10R0.74 COC(=O)OCCOCCF 3e93e2da9fd5bb891a00a4d9e4ff966c [1,0,0,0,0,0|3,0,0]=4 1073 B10R0.74 COC(=O)OCCOCCS 4f916091a7653337bd8b08ea257c2679 [1,0,0,0,0,0|3,0,0]=4 1074 B10R0.74 COC(=O)OCCOCSC 26e45fce16a76890b8820ac852cfbbed [1,0,0,0,0,0|3,0,0]=4 1075 B10R0.74 COC(=O)OCNCCCCl d79540cf63b385e5a7bb99911ba947b9 [1,0,0,0,0,0|3,0,0]=4 1076 B10R0.74 COC(=O)OCNCCCO aa57fdea458b9cde3098f1b2b1cac60d [1,0,0,0,0,0|3,0,0]=4 1077 B10R0.74 COC(=O)OCNCCSC 5226cf2e698b7b2701cdb1ea5e1ff800 [1,0,0,0,0,0|3,0,0]=4 1078 B10R0.74 COC(=O)OCOCCCF 0bd11ef2421d394ee1fc14f2647065ad [1,0,0,0,0,0|3,0,0]=4 1079 B10R0.74 COC(=O)OCOCCCS e0aafe56f3d968247475b6fe1690b9c8 [1,0,0,0,0,0|3,0,0]=4 1080 B10R0.74 COC(=O)OCOCCSC d1a8d2ca5dd68b79bcb6ee0a01436975 [1,0,0,0,0,0|3,0,0]=4 1081 B10R0.74 COCCCCNC(=O)CF cf76a8228453b7346d5cf8b259a2422f [1,0,0,0,0,0|3,0,0]=4 1082 B10R0.74 COCCCCNC(=O)CO d7d94f3a67430ea44e1c65949e7a69c7 [1,0,0,0,0,0|3,0,0]=4 1083 B10R0.74 COCCCCNC(=O)CS 8bc7a2fca7467e20f3b76c5ce8119b06 [1,0,0,0,0,0|3,0,0]=4 1084 B10R0.74 COCCNCOC(=O)OC 6381be7280054d6355fce5e1cfbfa9ed [1,0,0,0,0,0|3,0,0]=4 1085 B10R0.74 COCCOCOC(=O)OC a5c2d2e6baaf0a1567c032e04db1bf65 [1,0,0,0,0,0|3,0,0]=4 1086 B10R0.74 COCOCCOC(=O)OC 40eecdd82c26596431406769198420fd [1,0,0,0,0,0|3,0,0]=4 1087 B10R0.74 CSCCCCNC(=O)CF 6ea934a2fae8c21cd25cd60e33c07f97 [1,0,0,0,0,0|3,0,0]=4 1088 B10R0.74 CSCCCCNC(=O)CO 0897b4bc23cfc693fb313fd1e05b76d5 [1,0,0,0,0,0|3,0,0]=4 1089 B10R0.74 CSCCCCNC(=O)CS 51b70df598406bddcb3bcbea875612b0 [1,0,0,0,0,0|3,0,0]=4 1090 B10R0.74 O=C(CF)NCCCCCCl 6b93aba3941c6d4a7ff32a8d7d29cb35 [1,0,0,0,0,0|3,0,0]=4 1091 B10R0.74 O=C(CF)NCCCCCO cc98c8ff260eb1512f4030c943faa4ab [1,0,0,0,0,0|3,0,0]=4 1092 B10R0.74 O=C(CO)NCCCCCCl bb852b5e0473f7eaf3faafcb8f02cf64 [1,0,0,0,0,0|3,0,0]=4 1093 B10R0.74 O=C(CO)NCCCCCO 8ea79bd119a2d2f4afdd555f388978a6 [1,0,0,0,0,0|3,0,0]=4 1094 B10R0.74 O=C(CS)NCCCCCCl 5338d3b263c8353b8756bcc2bc2e3eb1 [1,0,0,0,0,0|3,0,0]=4 1095 B10R0.74 O=C(CS)NCCCCCO f99d02ad12fcfe5a585d335e2a21ea39 [1,0,0,0,0,0|3,0,0]=4 1096 B12R0.1 C#CCC(=O)NCCCCCCC 93a03d936b0b92677b159ff27562d5ea [0,1,0,0,0,0|1,0,2]=4 1097 B12R0.1 C#CCC(=O)NCCCCCCCl bbc9694c225aa7247b0d7b9f81693720 [0,1,0,0,0,0|1,0,2]=4 1098 B12R0.1 C#CCC(=O)NCCCCCCO 771c05ea01724103d5792a5d2b8b9a1c [0,1,0,0,0,0|1,0,2]=4 1099 B12R0.1 C#CCC(=O)NCCCCCOC 8f99bb970e99da3f811ade97b4603b15 [0,1,0,0,0,0|1,0,2]=4 1100 B12R0.1 C#CCC(=O)NCCCCSCC c7bcad0115fc88ed8042cd84a435f58c [0,1,0,0,0,0|1,0,2]=4 1101 B12R0.1 C#CCC(=O)NCCCOCCC 75dcb51162785c71fe657b3e28f4bb2e [0,1,0,0,0,0|1,0,2]=4 1102 B12R0.1 C#CCC(=O)NCCOCCCC 12933434799f4c668b68ffc483ed19c4 [0,1,0,0,0,0|1,0,2]=4 1103 B12R0.1 C#CCCCCCNC(=O)CCC 0444536b0cefb53d747805c9184bef9a [0,1,0,0,0,0|1,0,1]=3 1104 B12R0.1 C#CCCCCCNC(=O)CCF 86493d937b8133b5520ec2d30ff80f00 [0,1,0,0,0,0|2,0,1]=4 1105 B12R0.1 C#CCCCCCNC(=O)CCO 5761e0506f391fdb21d36668a257251e [0,1,0,0,0,0|2,0,1]=4 1106 B12R0.1 C#CCCCCCNC(=O)CCS e48f55745c74752c4310f0c4400156a2 [0,1,0,0,0,0|2,0,1]=4 1107 B12R0.1 C#CCCCCCNC(=O)COC bc69e4a87e72b487e58663d0daf1ed82 [0,1,0,0,0,0|2,0,1]=4 1108 B12R0.1 C#CCCCCCNC(=O)CSC a714812e1f6a8801508425e53b95fd5e [0,1,0,0,0,0|2,0,1]=4 1109 B12R0.1 C#CCCCCCOC(=S)CCC 1421109afbd42d8c51e3ead441979c15 [0,1,0,0,0,0|0,1,1]=3 1110 B12R0.1 C#CCCCCCOC(C)CCC d6cbfcf8b7e02063187c7f3c29842277 [0,1,0,0,0,0|1,0,2]=4 1111 B12R0.1 C#CCCCCCO[C@@H](C)CCC c2b914ec4f6ff0a7790b86128c5c20c7 [0,1,0,0,0,0|1,0,2]=4 1112 B12R0.1 C#CCCCCCO[C@H](C)CCC 5f211372ed0953ff5629fed9ac500138 [0,1,0,0,0,0|1,0,2]=4 1113 B12R0.1 C#CCCCCNCC(=O)CCC 4188eb4bdb9a68f38b20a8f767076f23 [0,1,0,0,0,0|1,0,2]=4 1114 B12R0.1 C#CCCCCOCC(=O)CCC 506cd257b6ef16af2ae2833fd586a732 [0,1,0,0,0,0|0,0,2]=3 1115 B12R0.1 C#CCCCCOCC(=O)NCC 7ce6594ee2891f20100a202395c17ae9 [0,1,0,0,0,0|1,0,2]=4 1116 B12R0.1 C#CCCCCOCC(=O)OCC 2c0aafcd35d95f8c1147b4ee9b484c4e [0,1,0,0,0,0|1,0,2]=4 1117 B12R0.1 C#CCCCNCOC(=O)CCC ce662aafad9dac8b55b5653a924f7a17 [0,1,0,0,0,0|0,0,2]=3 1118 B12R0.1 C#CCCCNCOC(=O)OCC 30502080c9ceb9c346be294811d06cd1 [0,1,0,0,0,0|1,0,2]=4 1119 B12R0.1 C#CCCCNCOC(=O)SCC 17862b452137ed250700bb88b46cf93f [0,1,0,0,0,0|1,0,2]=4 1120 B12R0.1 C#CCCCOCOC(=O)CCC 49a02caf469efc16789a327ffe5d7939 [0,1,0,0,0,0|0,0,2]=3 1121 B12R0.1 C#CCCCOCOC(=O)OCC d0a7f6980aa81b8dd360262dd0b55c58 [0,1,0,0,0,0|1,0,2]=4 1122 B12R0.1 C#CCCCOCOC(=O)SCC 8016bee38d5b8e3c1f800c2a54ce93c8 [0,1,0,0,0,0|1,0,2]=4 1123 B12R0.1 C#CCCOCCOC(=O)CCC 7e708b214c0c756f5a4c11925ed425e4 [0,1,0,0,0,0|0,0,2]=3 1124 B12R0.1 C#CCOCCOCC(=O)CCC ae8773fff4d9ee9a45dc9a6035f3ee92 [0,1,0,0,0,0|1,0,2]=4 1125 B12R0.1 C/C=C/C(=O)NCCCCCCC 143aedf4a24336379d4af9ae7f8e7244 [0,1,0,0,0,0|1,0,2]=4 1126 B12R0.1 C/C=C/C(=O)NCCCCCCCl 2d8b460cdc150c247f961f6d84d81867 [0,1,0,0,0,0|1,0,2]=4 1127 B12R0.1 C/C=C/C(=O)NCCCCCCO 2b01579349eb2e94006c62a324f60184 [0,1,0,0,0,0|1,0,2]=4 1128 B12R0.1 C/C=C/C(=O)NCCCCCOC ffac3956acb643638ace9d7cbc245eca [0,1,0,0,0,0|1,0,2]=4 1129 B12R0.1 C/C=C/C(=O)NCCCCSCC ea9acb99476b259d3635726a9393abf9 [0,1,0,0,0,0|1,0,2]=4 1130 B12R0.1 C/C=C/C(=O)NCCCOCCC f41ebfeedb0be543326f1a3c4a898b1a [0,1,0,0,0,0|1,0,2]=4 1131 B12R0.1 C/C=C/C(=O)NCCOCCCC f7cea8e1a85d3442f71f9de23d9829b6 [0,1,0,0,0,0|1,0,2]=4 1132 B12R0.1 C/C=C/CCCOCC(=O)CCC 094fd9594ee512dffc6123fbe7fe7a79 [0,1,0,0,0,0|0,0,2]=3 1133 B12R0.1 C/C=C/CCCOCC(=O)COC 2c1f9abd8e7553f220e935d7a0cfc191 [0,1,0,0,0,0|1,0,2]=4 1134 B12R0.1 C/C=C/CCCOCC(=O)NCC 6b049d24717210761d46519189b31d22 [0,1,0,0,0,0|1,0,2]=4 1135 B12R0.1 C/C=C/CCCOCC(=O)OCC 6fe01d780242b326f2b6760903826e15 [0,1,0,0,0,0|1,0,2]=4 1136 B12R0.1 C/C=C/CCOCOC(=O)CCC 95499e14dbff670c152b5f9ae516c871 [0,1,0,0,0,0|0,0,2]=3 1137 B12R0.1 C/C=C/CCOCOC(=O)OCC 6a3f3bf3cf8ee6b77ef0cf756289e562 [0,1,0,0,0,0|1,0,2]=4 1138 B12R0.1 C/C=C/CCOCOC(=O)SCC 6cf314886c062ae01c07352b740decc2 [0,1,0,0,0,0|1,0,2]=4 1139 B12R0.1 C/C=C/COCCOC(=O)CCC 489b53a355793d0d79dffa1cfb2fcc49 [0,1,0,0,0,0|0,0,2]=3 1140 B12R0.1 C/C=C\CCCOCC(=O)CCC 490897e6d65ac08f044c38660527e24b [0,1,0,0,0,0|0,0,2]=3 1141 B12R0.1 C/C=C\CCCOCC(=O)COC 1f2bf897e37e81c32296a73c9c8d1ef2 [0,1,0,0,0,0|1,0,2]=4 1142 B12R0.1 C/C=C\CCCOCC(=O)NCC f53c5cfefc8bbe262d5e01ec3ac6c3f7 [0,1,0,0,0,0|1,0,2]=4 1143 B12R0.1 C/C=C\CCCOCC(=O)OCC eb0201d9ba925f38c8b343eb0871d476 [0,1,0,0,0,0|1,0,2]=4 1144 B12R0.1 C/C=C\COCCOC(=O)CCC e4085687d87d593233eefa43329df696 [0,1,0,0,0,0|0,0,2]=3 1145 B12R0.1 C=C=CCCOCOC(=O)CCC f86f71828c6f055ff87516fb09d25e49 [0,1,0,0,0,0|0,0,3]=4 1146 B12R0.1 C=CCC(=O)NCCCCCCC 01f25746b04a665cedc8bf402cdef6cd [0,1,0,0,0,0|1,0,2]=4 1147 B12R0.1 C=CCC(=O)NCCCCCCCl 4febe0dcba60769d823fb6a17327608b [0,1,0,0,0,0|1,0,2]=4 1148 B12R0.1 C=CCC(=O)NCCCCCCO 7527dfae4daed35937510c0212278ceb [0,1,0,0,0,0|1,0,2]=4 1149 B12R0.1 C=CCC(=O)NCCCCCOC d42ee593bab64563465d872a7725b2c4 [0,1,0,0,0,0|1,0,2]=4 1150 B12R0.1 C=CCC(=O)NCCCCSCC 2e519cd991a66c1729c22f10fb622f4a [0,1,0,0,0,0|1,0,2]=4 1151 B12R0.1 C=CCC(=O)NCCCOCCC f75941506799c5e9819b9e0a18d43ae0 [0,1,0,0,0,0|1,0,2]=4 1152 B12R0.1 C=CCC(=O)NCCOCCCC 1aba59c829210db7ccb280eec99d40a4 [0,1,0,0,0,0|1,0,2]=4 1153 B12R0.1 C=CCCCCCNC(=O)CCC 7d693c25bbdba131af85fc7950a2fd42 [0,1,0,0,0,0|1,0,1]=3 1154 B12R0.1 C=CCCCCCNC(=O)CCF d8756abbee90ecf2086dd1e13a24ff68 [0,1,0,0,0,0|2,0,1]=4 1155 B12R0.1 C=CCCCCCNC(=O)CCO 0ceacda1e64f587305b1f17070b83fda [0,1,0,0,0,0|2,0,1]=4 1156 B12R0.1 C=CCCCCCNC(=O)CCS d7ff0218bd3c6807d62b6dccdc6fc35f [0,1,0,0,0,0|2,0,1]=4 1157 B12R0.1 C=CCCCCCNC(=O)COC 637b571b90d46f2842c804b6291a8781 [0,1,0,0,0,0|2,0,1]=4 1158 B12R0.1 C=CCCCCCNC(=O)CSC 3874507e84e49dc698f034903ed495a6 [0,1,0,0,0,0|2,0,1]=4 1159 B12R0.1 C=CCCCCCOC(=S)CCC 26237e5dcf839f4fad4e1c60800a7c1b [0,1,0,0,0,0|0,1,1]=3 1160 B12R0.1 C=CCCCCCOC(C)CCC dadc7f22bdc51f80a928948a2aeeab9c [0,1,0,0,0,0|1,0,2]=4 1161 B12R0.1 C=CCCCCCO[C@@H](C)CCC 38f4516f2186ec5801d74cc56045a004 [0,1,0,0,0,0|1,0,2]=4 1162 B12R0.1 C=CCCCCCO[C@H](C)CCC dbc1c5061bf4ead45e70133f21d693d0 [0,1,0,0,0,0|1,0,2]=4 1163 B12R0.1 C=CCCCCNCC(=O)CCC 951b05cd9c3ac2bc2dba344c406402d4 [0,1,0,0,0,0|1,0,2]=4 1164 B12R0.1 C=CCCCCOCC(=O)CCC ab9360d9215ce4a637d3ebcf2a1fe066 [0,1,0,0,0,0|0,0,2]=3 1165 B12R0.1 C=CCCCCOCC(=O)COC 822adce48e83451a2100494c1b05fb74 [0,1,0,0,0,0|1,0,2]=4 1166 B12R0.1 C=CCCCCOCC(=O)NCC 41a6620279850b3f5696c1cb67b8202e [0,1,0,0,0,0|1,0,2]=4 1167 B12R0.1 C=CCCCCOCC(=O)OCC d4fd6ecc9176f5a8eee2e3161c5689cd [0,1,0,0,0,0|1,0,2]=4 1168 B12R0.1 C=CCCCNCOC(=O)CCC 7d444b18e3f0907e4a60f1ee6124ed7b [0,1,0,0,0,0|0,0,2]=3 1169 B12R0.1 C=CCCCNCOC(=O)OCC edfbc06426c8e2b8c019eb441a0ca57b [0,1,0,0,0,0|1,0,2]=4 1170 B12R0.1 C=CCCCNCOC(=O)SCC f53742f006f8eeedcea08b4eaec8a454 [0,1,0,0,0,0|1,0,2]=4 1171 B12R0.1 C=CCCCOCOC(=O)CCC ed325ac0e143678d976e90e3b43ada63 [0,1,0,0,0,0|0,0,2]=3 1172 B12R0.1 C=CCCCOCOC(=O)OCC bb2e03b49613fa6187f7886a6d10826d [0,1,0,0,0,0|1,0,2]=4 1173 B12R0.1 C=CCCCOCOC(=O)SCC 6b4366b0e149f3e2f8fb95e84b10b822 [0,1,0,0,0,0|1,0,2]=4 1174 B12R0.1 C=CCCOCCOC(=O)CCC e07adf6e05aeb395e256be8041b382d5 [0,1,0,0,0,0|0,0,2]=3 1175 B12R0.1 C=CCOCCOCC(=O)CCC 3dd2dbaaf3f44a5ea4df00ba5eb68028 [0,1,0,0,0,0|1,0,2]=4 1176 B12R0.1 C=COC(=O)COCCCCCC 73f13ae300b8e438635aeb67c6c4b1c0 [0,1,0,0,0,0|1,0,2]=4 1177 B12R0.1 C=COCCNCOC(=O)CCC dd98fa8143403dc182dec7b38a43ddab [0,1,0,0,0,0|1,0,2]=4 1178 B12R0.1 C=COCCOCOC(=O)CCC 55cfa0c78e75210b859f02d08c8138af [0,1,0,0,0,0|1,0,2]=4 1179 B12R0.1 CC#CC(=O)NCCCCCCC 9dc706b7e8ba935d6397c1b687367039 [0,1,0,0,0,0|1,0,2]=4 1180 B12R0.1 CC#CC(=O)NCCCCCCCl 7f16c4798d7a455215e8abe3ebf28302 [0,1,0,0,0,0|1,0,2]=4 1181 B12R0.1 CC#CC(=O)NCCCCCCO 383c424c2fb6791c161b1c0ee96c759a [0,1,0,0,0,0|1,0,2]=4 1182 B12R0.1 CC#CC(=O)NCCCCCOC ebbd18e631adf19c643fee7b178cdf2d [0,1,0,0,0,0|1,0,2]=4 1183 B12R0.1 CC#CC(=O)NCCCCSCC 71c8efd06c674d84e9ef1ef4adff6f13 [0,1,0,0,0,0|1,0,2]=4 1184 B12R0.1 CC#CC(=O)NCCCOCCC 1ceb976f6b94c27da55d1cc634630f7e [0,1,0,0,0,0|1,0,2]=4 1185 B12R0.1 CC#CC(=O)NCCOCCCC fe4331d3b9ef67c74079a71e1a6c4075 [0,1,0,0,0,0|1,0,2]=4 1186 B12R0.1 CC#CCCCOCC(=O)CCC 6ad348d1ccbde0ec4aa3a553a98c28fd [0,1,0,0,0,0|0,0,2]=3 1187 B12R0.1 CC#CCCCOCC(=O)COC 118fadb5895944e0e3491d3a62d97479 [0,1,0,0,0,0|1,0,2]=4 1188 B12R0.1 CC#CCCCOCC(=O)NCC 8bffc69fb61271b008c3184763ffab1d [0,1,0,0,0,0|1,0,2]=4 1189 B12R0.1 CC#CCCCOCC(=O)OCC 09f65cf229266c77c3a09b7ab3616d89 [0,1,0,0,0,0|1,0,2]=4 1190 B12R0.1 CC#CCCOCOC(=O)CCC 5b2aba7fa9a760442bc76bf9fe1ad6d7 [0,1,0,0,0,0|0,0,2]=3 1191 B12R0.1 CC#CCCOCOC(=O)OCC 33e96f30ff59447570a09375b1556343 [0,1,0,0,0,0|1,0,2]=4 1192 B12R0.1 CC#CCCOCOC(=O)SCC 389e63ff2db8d4a249167e9086909fbc [0,1,0,0,0,0|1,0,2]=4 1193 B12R0.1 CC/C=C/CCOCC(=O)CCC 41317b7200754cb3bcb4d021be103013 [0,1,0,0,0,0|0,0,2]=3 1194 B12R0.1 CC/C=C/CCOCC(=O)COC d02dd1e21b81ffbdda1c92d77ff584a9 [0,1,0,0,0,0|1,0,2]=4 1195 B12R0.1 CC/C=C/CCOCC(=O)NCC fe9581a6f67d6eb4392a489a78f70f45 [0,1,0,0,0,0|1,0,2]=4 1196 B12R0.1 CC/C=C/CCOCC(=O)OCC 792c7b41cf5d663e26e699dcbebba13a [0,1,0,0,0,0|1,0,2]=4 1197 B12R0.1 CC/C=C/COCOC(=O)CCC 751e8c6adb3230aeb797eb5cbfec30f1 [0,1,0,0,0,0|0,0,2]=3 1198 B12R0.1 CC/C=C/COCOC(=O)OCC 11dc7c1cdd25438fbd07b3e678f5c1ef [0,1,0,0,0,0|1,0,2]=4 1199 B12R0.1 CC/C=C/COCOC(=O)SCC b0c4a382e10c06b4845da308e9db6204 [0,1,0,0,0,0|1,0,2]=4 1200 B12R0.1 CC/C=C\CCCOC(C)CCC 5ef7e519bbdffd066a6111c99b3e12a5 [0,1,0,0,0,0|1,0,2]=4 1201 B12R0.1 CC/C=C\CCOCC(=O)CCC e77a99429b63562e524ba646f33af3e8 [0,1,0,0,0,0|0,0,2]=3 1202 B12R0.1 CC/C=C\CCOCC(=O)COC 87874e1cfd0a0a1629fe0b62f11113d1 [0,1,0,0,0,0|1,0,2]=4 1203 B12R0.1 CC/C=C\CCOCC(=O)NCC 8be75100f209e13fc4cfab12ae8d3872 [0,1,0,0,0,0|1,0,2]=4 1204 B12R0.1 CC/C=C\CCOCC(=O)OCC 58e8adf0bb2c35a15246ec12bfd9507a [0,1,0,0,0,0|1,0,2]=4 1205 B12R0.1 CC/C=C\COCOC(=O)CCC 8985582aaa97e002718761b99bc8fde9 [0,1,0,0,0,0|0,0,2]=3 1206 B12R0.1 CC/C=C\COCOC(=O)OCC 33322914ff9fb20c2a7a0ac5b896b61f [0,1,0,0,0,0|1,0,2]=4 1207 B12R0.1 CC/C=C\COCOC(=O)SCC d10e8c1b956611bf8b7214c5d2e1589b [0,1,0,0,0,0|1,0,2]=4 1208 B12R0.1 CC=C=CCCOCC(=O)CCC e89da325309b61da84be6e06938975eb [0,1,0,0,0,0|0,0,3]=4 1209 B12R0.1 CC=CCCCOCC(=O)CCC b53f64b2b3e1001e95f568392413defe [0,1,0,0,0,0|0,0,2]=3 1210 B12R0.1 CC=CCCCOCC(=O)COC 5b9339fac39101012e488fd67f542ab9 [0,1,0,0,0,0|1,0,2]=4 1211 B12R0.1 CC=CCCCOCC(=O)NCC b145ecd2a18da02365f56f3e91cb326c [0,1,0,0,0,0|1,0,2]=4 1212 B12R0.1 CC=CCCCOCC(=O)OCC 11b776a15d039a208f4246f6e31ccce7 [0,1,0,0,0,0|1,0,2]=4 1213 B12R0.1 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B12R0.1 CCCCCCCO[C@@H](C)CCC 483c587a55edba7c5e3e03595ff495d4 [0,1,0,0,0,0|1,0,1]=3 1341 B12R0.1 CCCCCCCO[C@@H](C)COC 2569f7a1b969256922dca911ba8aca41 [0,1,0,0,0,0|2,0,1]=4 1342 B12R0.1 CCCCCCCO[C@H](C)CCC 0d47af9aad98592c950df7ee55dcfa58 [0,1,0,0,0,0|1,0,1]=3 1343 B12R0.1 CCCCCCCO[C@H](C)COC 5233732f20c15fe5265e85a43933c6ab [0,1,0,0,0,0|2,0,1]=4 1344 B12R0.1 CCCCCCNCC(=O)CCC f47dda3d1f83759950f26c4f3e9b6cda [0,1,0,0,0,0|1,0,0]=2 1345 B12R0.1 CCCCCCNCC(=O)COC fdaf82dcdc1091c41ce15fe821b1dfd3 [0,1,0,0,0,0|2,0,0]=3 1346 B12R0.1 CCCCCCNCC(=O)NCC 9289ae5a2cd52bef677cbf2896aad3e1 [0,1,0,0,0,0|2,0,0]=3 1347 B12R0.1 CCCCCCNCC(=O)NCO 98a14368a8997b39c86f3cfc4e54affb [0,1,0,0,0,0|3,0,0]=4 1348 B12R0.1 CCCCCCNCC(=O)OCC 6be77b6d291e5bcb1b5ee543218d2829 [0,1,0,0,0,0|2,0,0]=3 1349 B12R0.1 CCCCCCNCC(C)CCC 555772249456d90e66cf2e0ad2ac06f6 [0,1,0,0,0,0|2,0,1]=4 1350 B12R0.1 CCCCCCNCC(O)CCC 3b4a0aba27935f345307e359863cceba [0,1,0,0,0,0|1,0,2]=4 1351 B12R0.1 CCCCCCOCC(=O)CCC 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B12R0.1 CCCCCOCCC(=O)NCC 8d86d4085f1914474d4def8476302536 [0,1,0,0,0,0|2,0,0]=3 1364 B12R0.1 CCCCCOCCC(=O)OCC 0e8d283a882f47cc8cf67da5cc42052f [0,1,0,0,0,0|2,0,0]=3 1365 B12R0.1 CCCCCOCCC(C)CCC 515407ed97ae70bdb653bafa38ba100b [0,1,0,0,0,0|2,0,1]=4 1366 B12R0.1 CCCCCOCCC(S)CCC 19c3ca02a7f227355ee2ba82c8917787 [0,1,0,0,0,0|1,1,1]=4 1367 B12R0.1 CCCCCOCOC(=O)CCC f17ce93b5ea3cb9a96eaeded1be5f6c2 [0,1,0,0,0,0|0,0,0]=1 1368 B12R0.1 CCCCCOCOC(=O)OCC 69d9cd494ae71bfbe851f78311fd2ef7 [0,1,0,0,0,0|1,0,0]=2 1369 B12R0.1 CCCCCOCOC(=O)SCC ed6d123eb2b3fb5535f55c0e9e05498f [0,1,0,0,0,0|1,0,0]=2 1370 B12R0.1 CCCCNC/C=C/C(=O)OCC 1ed5449023ba030743a3ae056eca355b [0,1,0,0,0,0|2,0,1]=4 1371 B12R0.1 CCCCNCC=CC(=O)OCC dc25e93e632bd5eebd16694cb89d7b9d [0,1,0,0,0,0|2,0,1]=4 1372 B12R0.1 CCCCNCCCC(=O)OCC 8b28206bbb47bf0a96f03d9b954c92cc [0,1,0,0,0,0|2,0,0]=3 1373 B12R0.1 CCCCOC/C=C/C(=O)OCC e181cd6e2cd1be5c79bb3d0735422fe2 [0,1,0,0,0,0|2,0,1]=4 1374 B12R0.1 CCCCOCC#CC(=O)OCC db21299404520e568d0a62d2caca2057 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[0,1,0,0,0,0|2,0,1]=4 1398 B12R0.1 CCCCOCNCC(=O)NCC 0abb56671badb06dd4d3c8f49faf4fe4 [0,1,0,0,0,0|3,0,0]=4 1399 B12R0.1 CCCCOCNCC(=O)OCC faabb817975ddf6641c6b9f6c190b083 [0,1,0,0,0,0|3,0,0]=4 1400 B12R0.1 CCCCOCOCC(=O)NCC 4f0dc8c3e0ee190ec538f2e54e4cd879 [0,1,0,0,0,0|2,0,0]=3 1401 B12R0.1 CCCCOCOCC(=O)OCC 935958810e74725b96744c4ceee01b4a [0,1,0,0,0,0|2,0,0]=3 1402 B12R0.1 CCCCOCOCC(C)CCC 2ca7b043b997556d89ba416b94950141 [0,1,0,0,0,0|2,0,1]=4 1403 B12R0.1 CCCCSCCOC(C)CCC 9d3c2d58955e80535c02677598cfdcae [0,1,0,0,0,0|1,0,1]=3 1404 B12R0.1 CCCCSCCOC(C)COC 7d7667274771a9b0d724b3f8bcb0a9cf [0,1,0,0,0,0|2,0,1]=4 1405 B12R0.1 CCCN(C)CCCCCCCO 58131988426b25a8d93653d902866be0 [0,1,0,0,0,0|3,0,0]=4 1406 B12R0.1 CCCN(C)CCCCCCOC 03d0a8c584d652b72a5b8cdae131cb68 [0,1,0,0,0,0|3,0,0]=4 1407 B12R0.1 CCCNCCC=CC(=O)OCC 9cfa1e2cb2a6dd48c725806d070b04e3 [0,1,0,0,0,0|2,0,1]=4 1408 B12R0.1 CCCNCCCCC(=O)OCC af859276231b6944d66e75bb032a0322 [0,1,0,0,0,0|2,0,0]=3 1409 B12R0.1 CCCNCCCCS(=O)CCO 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B12R0.1 CCCOCCCNC(=O)CSC ffe33af887571b4b8bbcf3f33d99cca1 [0,1,0,0,0,0|2,0,0]=3 1422 B12R0.1 CCCOCCCNC(C)CCC 27dec570dcc15937772799c17acd23bb [0,1,0,0,0,0|2,0,1]=4 1423 B12R0.1 CCCOCCCN[C@@H](C)CCC 58f67eb84c8df2fbad775da61cc940c5 [0,1,0,0,0,0|2,0,1]=4 1424 B12R0.1 CCCOCCCOC(=S)CCC 7bfaad3d7e43e461e37370bb2faa5c28 [0,1,0,0,0,0|0,1,0]=2 1425 B12R0.1 CCCOCCCOC(C)CCC a72230ad0379771aa2c03b744fd1a3f4 [0,1,0,0,0,0|1,0,1]=3 1426 B12R0.1 CCCOCCCOC(C)COC 0e523154147de201e83c413e716540ec [0,1,0,0,0,0|2,0,1]=4 1427 B12R0.1 CCCOCCCOC(C)CSC 5f0dfa16a7e26af185495b31759a4c67 [0,1,0,0,0,0|2,0,1]=4 1428 B12R0.1 CCCOCCCO[C@@H](C)CCC b1c0fb43f1a7c3e20409d07fca1c8367 [0,1,0,0,0,0|1,0,1]=3 1429 B12R0.1 CCCOCCCO[C@@H](C)COC 4d7a616f6f9f73ece0973b3e7ea36647 [0,1,0,0,0,0|2,0,1]=4 1430 B12R0.1 CCCOCCCO[C@H](C)CCC 9cc3765492e1c5abac35c859a5882b65 [0,1,0,0,0,0|1,0,1]=3 1431 B12R0.1 CCCOCCCO[C@H](C)COC d02559b1a1ee7ec64e03aa93e65d239f [0,1,0,0,0,0|2,0,1]=4 1432 B12R0.1 CCCOCCNCC(=O)CCC 7ab7539aa342766ce6ea51f6743cf512 [0,1,0,0,0,0|2,0,0]=3 1433 B12R0.1 CCCOCCNCC(=O)COC 9b464853d5b9bc1c552f074c1ae22247 [0,1,0,0,0,0|3,0,0]=4 1434 B12R0.1 CCCOCCNCC(=O)NCC bf0ab14b17623939c9ebdfa62eaa2d5d [0,1,0,0,0,0|3,0,0]=4 1435 B12R0.1 CCCOCCNCC(=O)OCC 239aff86a3253f4e92984b6924e8935e [0,1,0,0,0,0|3,0,0]=4 1436 B12R0.1 CCCOCCOCC(=O)CCC 8d1b44f9c949b638e8f1b95510f109d5 [0,1,0,0,0,0|1,0,0]=2 1437 B12R0.1 CCCOCCOCC(=O)COC 8aa1a8445662292885a5e7701f1c8aaa [0,1,0,0,0,0|2,0,0]=3 1438 B12R0.1 CCCOCCOCC(=O)NCC 7cbce38fa9146ad332aa7f526271eb12 [0,1,0,0,0,0|2,0,0]=3 1439 B12R0.1 CCCOCCOCC(=O)OCC e956761b010e3123844814131e112ba1 [0,1,0,0,0,0|2,0,0]=3 1440 B12R0.1 CCCOCCOCC(C)CCC 6a54bd22ced98a482c834c6b8c236a65 [0,1,0,0,0,0|2,0,1]=4 1441 B12R0.1 CCCSCCOCC(=O)CCC 4b4ffe88268892e120ab14ac3bb5a682 [0,1,0,0,0,0|1,0,0]=2 1442 B12R0.1 CCCSCCOCC(=O)COC 7c182db9c19d397159abdbf53a9a3da7 [0,1,0,0,0,0|2,0,0]=3 1443 B12R0.1 CCCSCCOCC(=O)NCC 5e796b86b04124487836ef1505c77cbd [0,1,0,0,0,0|2,0,0]=3 1444 B12R0.1 CCCSCCOCC(=O)OCC 7dc809704e5077e6bd03885f18e6a5e7 [0,1,0,0,0,0|2,0,0]=3 1445 B12R0.1 CCCSCCOCC(C)CCC 0f38ee60d65cbfc7082d8619f50e3682 [0,1,0,0,0,0|2,0,1]=4 1446 B12R0.1 CCC[C@@H](C)OCCCCCC#N cf9c25421651378ed11f2dcf5622e083 [0,1,0,0,0,0|1,0,2]=4 1447 B12R0.1 CCC[C@@H](C)OCCCCCC=O f770c8eb3aa45310790cd017216e2c2b [0,1,0,0,0,0|1,0,2]=4 1448 B12R0.1 CCC[C@@H](C)OCCCCCCF 73f9e3cb11e58a72a05b21528f02d3cf [0,1,0,0,0,0|1,0,1]=3 1449 B12R0.1 CCC[C@@H](C)OCCCCCOC 55a29f1ba9a0db3b9df4b29a5fa4cb4d [0,1,0,0,0,0|1,0,1]=3 1450 B12R0.1 CCC[C@@H](C)OCCOCCOC e479e7b4c991e1a415ce31fb0c04852e [0,1,0,0,0,0|2,0,1]=4 1451 B12R0.1 CCC[C@H](C)NCCCCCCF 6a5a65ebffc27fb6eb9b49a61354c173 [0,1,0,0,0,0|2,0,1]=4 1452 B12R0.1 CCC[C@H](C)NCCCCCCO 95cf150ebeaa740ee7c0fa733b24a938 [0,1,0,0,0,0|2,0,1]=4 1453 B12R0.1 CCC[C@H](C)NCCCCCOC 3ac36a2d1861625f107e510bc44c0465 [0,1,0,0,0,0|2,0,1]=4 1454 B12R0.1 CCC[C@H](C)OCCCCCC#N c063771324c3b7a343e28d0e581916a3 [0,1,0,0,0,0|1,0,2]=4 1455 B12R0.1 CCC[C@H](C)OCCCCCC=O de386838f6c321df5487df4d619ca3f3 [0,1,0,0,0,0|1,0,2]=4 1456 B12R0.1 CCC[C@H](C)OCCCCCCF 4ab5ce540c26f5580bb72fd91f35c0c9 [0,1,0,0,0,0|1,0,1]=3 1457 B12R0.1 CCC[C@H](C)OCCCCCOC bd777b74b05484127bf9c2a6f7239667 [0,1,0,0,0,0|1,0,1]=3 1458 B12R0.1 CCC[C@H](C)OCCOCCOC 3c67f3640a29f6cef867afe8139fd2e9 [0,1,0,0,0,0|2,0,1]=4 1459 B12R0.1 CCNC(=O)CCNCCCCCl be292d2ecdad4305bdc82227712bf9a3 [0,1,0,0,0,0|3,0,0]=4 1460 B12R0.1 CCNC(=O)CCNCCCCO 535b8119b5264e36a731eb0ef4a7718b [0,1,0,0,0,0|3,0,0]=4 1461 B12R0.1 CCNC(=O)CCNCCCCS bd89eebdc8f2531b1c3014f129c78da9 [0,1,0,0,0,0|3,0,0]=4 1462 B12R0.1 CCNC(=O)CCNCCCOC 341a462608797c038366ee417073a2ca [0,1,0,0,0,0|3,0,0]=4 1463 B12R0.1 CCNC(=O)CCNCCCSC 7c2cb20b59adae5ca38e0cdcb06b8b31 [0,1,0,0,0,0|3,0,0]=4 1464 B12R0.1 CCNC(=O)CCNCCOCC 5d28aa0b0355b7dc25d82cd4bf2dcd52 [0,1,0,0,0,0|3,0,0]=4 1465 B12R0.1 CCNC(=O)CCNCCSCC 155aebf67e3440ffffddaa0059f0c0a6 [0,1,0,0,0,0|3,0,0]=4 1466 B12R0.1 CCNC(=O)CCOCCCCF 7758b300a8dc63e72e1be815e4d0fcdd [0,1,0,0,0,0|3,0,0]=4 1467 B12R0.1 CCNC(=O)CCOCCCCS a41f4161f798e71d5c28403ef9a43480 [0,1,0,0,0,0|3,0,0]=4 1468 B12R0.1 CCNC(=O)CCOCCCOC c20853eefc7b5885ed125b4aff2f1ebf [0,1,0,0,0,0|3,0,0]=4 1469 B12R0.1 CCNC(=O)CCOCCCSC 7545d2c27ad92372a3b8e364cb6025c4 [0,1,0,0,0,0|3,0,0]=4 1470 B12R0.1 CCNC(=O)CCOCCOCC a73d0cda05d4bb973d81fb08c30a9f22 [0,1,0,0,0,0|3,0,0]=4 1471 B12R0.1 CCNC(=O)CCOCCSCC 5a7d54c0753d226d72c48250185755fe [0,1,0,0,0,0|3,0,0]=4 1472 B12R0.1 CCNC(=O)CNCCCCCCl b0c9a0e284304049fa4e04eb8230ef73 [0,1,0,0,0,0|3,0,0]=4 1473 B12R0.1 CCNC(=O)CNCCCCCF 86f627a5b434a25b12605aa70c0e3d8b [0,1,0,0,0,0|3,0,0]=4 1474 B12R0.1 CCNC(=O)CNCCCCCO 31191d9c0a5dad3004b939c0f453022d [0,1,0,0,0,0|3,0,0]=4 1475 B12R0.1 CCNC(=O)CNCCCCOC 0c4c15a6f7d75513cebf7659f70b0593 [0,1,0,0,0,0|3,0,0]=4 1476 B12R0.1 CCNC(=O)CNCCCCSC 5850c0986c0affe68d4d33e4f05f52ed [0,1,0,0,0,0|3,0,0]=4 1477 B12R0.1 CCNC(=O)CNCCCOCC 7e73cd488b16e4dfd489eff482c5f63f [0,1,0,0,0,0|3,0,0]=4 1478 B12R0.1 CCNC(=O)CNCCCSCC 91eee39d6870b10e0bb84a45b3d19b75 [0,1,0,0,0,0|3,0,0]=4 1479 B12R0.1 CCNC(=O)COCCCCC#N b5e647ad439a68dbc7c1d7926b55ddd7 [0,1,0,0,0,0|2,0,1]=4 1480 B12R0.1 CCNC(=O)COCCCCC=O ec274109c8c393a19c7ed1a2797e6445 [0,1,0,0,0,0|2,0,1]=4 1481 B12R0.1 CCNC(=O)COCCCCCF 609b3c5af59cc90b23f9aeb18d94df6a [0,1,0,0,0,0|2,0,0]=3 1482 B12R0.1 CCNC(=O)COCCCCOC 0b87d37a63838c1abb2f7d58fb108115 [0,1,0,0,0,0|2,0,0]=3 1483 B12R0.1 CCNC(=O)COCCCCSC 6e07c1e16a8d3bf726ff8274fbd42547 [0,1,0,0,0,0|2,0,0]=3 1484 B12R0.1 CCNC(=O)COCCCOCC d4a864bc2c0489bc98237b5e00175671 [0,1,0,0,0,0|2,0,0]=3 1485 B12R0.1 CCNC(=O)COCCCSCC 5eb2127228c39061dbfe765affd1a332 [0,1,0,0,0,0|2,0,0]=3 1486 B12R0.1 CCNC(=O)COCCOCCF 073ea8580f59ceaf60c510ec9bb96a29 [0,1,0,0,0,0|3,0,0]=4 1487 B12R0.1 CCNC(=O)COCCOCCS c16df1e4da48449d5532d8b982fc67d9 [0,1,0,0,0,0|3,0,0]=4 1488 B12R0.1 CCNC(=O)COCCOCOC e8516a7cc8e3af91aa311a1422125e4f [0,1,0,0,0,0|3,0,0]=4 1489 B12R0.1 CCNC(=O)COCOCCOC 3f84b3edde23f53f30b7a5190e1cce1b [0,1,0,0,0,0|3,0,0]=4 1490 B12R0.1 CCNCCCCCC(=O)OCC 3082b4e9c515f8b8be859ad9fb770d19 [0,1,0,0,0,0|2,0,0]=3 1491 B12R0.1 CCOC(=O)CCCCCNCF ba6f612648ba056af608fe0a21b1632d [0,1,0,0,0,0|3,0,0]=4 1492 B12R0.1 CCOC(=O)CCCCCNCO 24f9ca6ece66f0b514a54f7e9cc315e8 [0,1,0,0,0,0|3,0,0]=4 1493 B12R0.1 CCOC(=O)CCCCCOCF 59a655741bc7913732403f67441ea509 [0,1,0,0,0,0|3,0,0]=4 1494 B12R0.1 CCOC(=O)CCCCNCCBr 14e81dd3beb27448f5dc6326369c213e [0,1,0,0,0,0|3,0,0]=4 1495 B12R0.1 CCOC(=O)CCCCNCCF 137d396dbbfdb236ba4d316c1b5efbb0 [0,1,0,0,0,0|3,0,0]=4 1496 B12R0.1 CCOC(=O)CCCCNCCI 97469321cefc5279b0a75940b65c0c08 [0,1,0,0,0,0|3,0,0]=4 1497 B12R0.1 CCOC(=O)CCCCNCCO 963b0639353f6c2e99c364f52f712f4d [0,1,0,0,0,0|3,0,0]=4 1498 B12R0.1 CCOC(=O)CCCCNCCS bf8e4c5b716d48ee5dbf15e7ac01d275 [0,1,0,0,0,0|3,0,0]=4 1499 B12R0.1 CCOC(=O)CCCCOCCF 628f1e3ffc6ef8f7b017b0bfc71e180a [0,1,0,0,0,0|3,0,0]=4 1500 B12R0.1 CCOC(=O)CCCCOCCS 0426b046f0bebc7ec8c25d0d59b0c9e3 [0,1,0,0,0,0|3,0,0]=4 1501 B12R0.1 CCOC(=O)CCCCOCOC d1741bfc5ca4ec701ca972d056ab900e [0,1,0,0,0,0|3,0,0]=4 1502 B12R0.1 CCOC(=O)CCCCOCSC 64ba404aac424987a6818f81740713d5 [0,1,0,0,0,0|3,0,0]=4 1503 B12R0.1 CCOC(=O)CCCNCCCCl 4da0f363567b9d5d949540cb71c9a524 [0,1,0,0,0,0|3,0,0]=4 1504 B12R0.1 CCOC(=O)CCCNCCCF b5ba79fdda640fe2d229f2d7d520ad6b [0,1,0,0,0,0|3,0,0]=4 1505 B12R0.1 CCOC(=O)CCCNCCCO db75a98308594ff273bdaab88b0dbed4 [0,1,0,0,0,0|3,0,0]=4 1506 B12R0.1 CCOC(=O)CCCNCCCS a8fc30d661532e3cfb441c70832ceb16 [0,1,0,0,0,0|3,0,0]=4 1507 B12R0.1 CCOC(=O)CCCNCCOC 742a2c291c9ded371921155d7907975d [0,1,0,0,0,0|3,0,0]=4 1508 B12R0.1 CCOC(=O)CCCNCCSC 8d10a5defa1aa962c26583ec04afcaa6 [0,1,0,0,0,0|3,0,0]=4 1509 B12R0.1 CCOC(=O)CCCOCCCF 18055ed7b12edc2c59bcc3a1b2c4e39c [0,1,0,0,0,0|3,0,0]=4 1510 B12R0.1 CCOC(=O)CCCOCCCS 06a73bfdffca91f9d2ddcaba97c65005 [0,1,0,0,0,0|3,0,0]=4 1511 B12R0.1 CCOC(=O)CCCOCCOC c6bbb3af434e4932405a90a539d6fd1e [0,1,0,0,0,0|3,0,0]=4 1512 B12R0.1 CCOC(=O)CCCOCCSC b467d2b72cbc91d5af563aefef89a648 [0,1,0,0,0,0|3,0,0]=4 1513 B12R0.1 CCOC(=O)CCNCCCCCl c3311d4350fcca484d570e9b287bcab5 [0,1,0,0,0,0|3,0,0]=4 1514 B12R0.1 CCOC(=O)CCNCCCCF 84547be09984c757c2999860ca1d7f80 [0,1,0,0,0,0|3,0,0]=4 1515 B12R0.1 CCOC(=O)CCNCCCCO ce10b74606326ca3232dba04136055cd [0,1,0,0,0,0|3,0,0]=4 1516 B12R0.1 CCOC(=O)CCNCCCCS 309ed5e4f8b052b29519287bce16ad4d [0,1,0,0,0,0|3,0,0]=4 1517 B12R0.1 CCOC(=O)CCNCCCOC cddfa6eaed1f4542ae53de7c8fe17148 [0,1,0,0,0,0|3,0,0]=4 1518 B12R0.1 CCOC(=O)CCNCCCSC b60e5dad4270b46a924f334f985b9d67 [0,1,0,0,0,0|3,0,0]=4 1519 B12R0.1 CCOC(=O)CCNCCSCC 45ea25a69ece60084e374dcee8623347 [0,1,0,0,0,0|3,0,0]=4 1520 B12R0.1 CCOC(=O)CCOCCCCF 845b9f4baad220d649650cb6ef4122d8 [0,1,0,0,0,0|3,0,0]=4 1521 B12R0.1 CCOC(=O)CCOCCCCS 0a678323e56139b45f25ecdacb30ea27 [0,1,0,0,0,0|3,0,0]=4 1522 B12R0.1 CCOC(=O)CCOCCCOC 1c379ce02e6ffb355bfc63c8a50f9154 [0,1,0,0,0,0|3,0,0]=4 1523 B12R0.1 CCOC(=O)CCOCCCSC eefce61021aa13c0e72f9dfb18c21fef [0,1,0,0,0,0|3,0,0]=4 1524 B12R0.1 CCOC(=O)CCOCCSCC cab2b12e6ec141bfa9b15b8597080856 [0,1,0,0,0,0|3,0,0]=4 1525 B12R0.1 CCOC(=O)CNCCCCCCl 58e161da4ecc780d2991740be8c089d5 [0,1,0,0,0,0|3,0,0]=4 1526 B12R0.1 CCOC(=O)CNCCCCCF d29011e4a1e166877af4f961a4f2490a [0,1,0,0,0,0|3,0,0]=4 1527 B12R0.1 CCOC(=O)CNCCCCCO 9aa3e90fe522eccc11acb2dcce0f12a4 [0,1,0,0,0,0|3,0,0]=4 1528 B12R0.1 CCOC(=O)CNCCCCOC 20b52f33ea51a932ab9c35f8dddd54bc [0,1,0,0,0,0|3,0,0]=4 1529 B12R0.1 CCOC(=O)CNCCCCSC 3aa87d0193ec4066a857561ba6181c9f [0,1,0,0,0,0|3,0,0]=4 1530 B12R0.1 CCOC(=O)CNCCCSCC c696b86d2cc68efa4569836d55494198 [0,1,0,0,0,0|3,0,0]=4 1531 B12R0.1 CCOC(=O)COCCCCC#N 9b94b57a424ec90f37d93a90dd18fce7 [0,1,0,0,0,0|2,0,1]=4 1532 B12R0.1 CCOC(=O)COCCCCC=O 8bbea6e9d9b52cb43a4bbf3454a822f3 [0,1,0,0,0,0|2,0,1]=4 1533 B12R0.1 CCOC(=O)COCCCCCF 50c7fa072831b49b3af2edaf08d4c8a4 [0,1,0,0,0,0|2,0,0]=3 1534 B12R0.1 CCOC(=O)COCCCCOC 4ccc51ace4bb9ca789adb9a045234d9f [0,1,0,0,0,0|2,0,0]=3 1535 B12R0.1 CCOC(=O)COCCCCSC 2e64cc00939356121bac05eacf564071 [0,1,0,0,0,0|2,0,0]=3 1536 B12R0.1 CCOC(=O)COCCCOCF 84446ccedd23795e1de4307a4afcf7cc [0,1,0,0,0,0|3,0,0]=4 1537 B12R0.1 CCOC(=O)COCCCSCC b54712bbae2dd3901cfa3d61585de9c0 [0,1,0,0,0,0|2,0,0]=3 1538 B12R0.1 CCOC(=O)COCCNCCO 997edcca6e3ccfdef9f028d09b995c2c [0,1,0,0,0,0|3,0,0]=4 1539 B12R0.1 CCOC(=O)COCCOCCF 68075739e37f3fd2c6277ad2216a38e5 [0,1,0,0,0,0|3,0,0]=4 1540 B12R0.1 CCOC(=O)COCCOCCS fbe313b70c01b196b658388546fe3c68 [0,1,0,0,0,0|3,0,0]=4 1541 B12R0.1 CCOC(=O)COCCOCOC 6e018e414c6889494100d423b104c9e2 [0,1,0,0,0,0|3,0,0]=4 1542 B12R0.1 CCOC(=O)COCOCCOC 4a68b6103a15e51b8352433c103e0b87 [0,1,0,0,0,0|3,0,0]=4 1543 B12R0.1 CCOC(=O)OCNCCCC#N a089af0c3eddb20551fc085bfb9402dd [0,1,0,0,0,0|2,0,1]=4 1544 B12R0.1 CCOC(=O)OCNCCCCCl 3a920f8ab2eddd197f4faa2b32f26dbf [0,1,0,0,0,0|2,0,0]=3 1545 B12R0.1 CCOC(=O)OCNCCCCO f0ea7cfcda691dbfc1d7888fe5414e18 [0,1,0,0,0,0|2,0,0]=3 1546 B12R0.1 CCOC(=O)OCNCCCCS d56373518cfa687967407c254a5ccca0 [0,1,0,0,0,0|2,0,0]=3 1547 B12R0.1 CCOC(=O)OCNCCCOC b0b7961adec41311924032a7b3481284 [0,1,0,0,0,0|2,0,0]=3 1548 B12R0.1 CCOC(=O)OCNCCCSC b83d4350ae8dc272a827b0f5ba2b7320 [0,1,0,0,0,0|2,0,0]=3 1549 B12R0.1 CCOC(=O)OCNCCSCC 0e25cbb7ba09485f8607863c2ed9a533 [0,1,0,0,0,0|2,0,0]=3 1550 B12R0.1 CCOC(=O)OCOCCCC#N 6444a8384aae9be02daa20b83e99ab2d [0,1,0,0,0,0|2,0,1]=4 1551 B12R0.1 CCOC(=O)OCOCCCC=O ec7cbcf45c42ff52aef7e2befde69a24 [0,1,0,0,0,0|2,0,1]=4 1552 B12R0.1 CCOC(=O)OCOCCCCF 52bb8465c88e38eb0c8f3300b14e4aaf [0,1,0,0,0,0|2,0,0]=3 1553 B12R0.1 CCOC(=O)OCOCCCCS c0b78b0bf39beb3239789c081676ec3d [0,1,0,0,0,0|2,0,0]=3 1554 B12R0.1 CCOC(=O)OCOCCCOC 10584f20f37ae0dfb1af513c9c7aeef4 [0,1,0,0,0,0|2,0,0]=3 1555 B12R0.1 CCOC(=O)OCOCCCSC 8d04cdafb386604df3e6e9259d6c5a0a [0,1,0,0,0,0|2,0,0]=3 1556 B12R0.1 CCOC(=O)OCOCCSCC 9a2c5ce33259a8b325641623c4a4a34b [0,1,0,0,0,0|2,0,0]=3 1557 B12R0.1 CCOCCCCCC(=O)OCC 776de740a04afd55ce4174c29edf7765 [0,1,0,0,0,0|2,0,0]=3 1558 B12R0.1 CCOCCCNCC(=O)COC 860662edf4a972d3b31d01156b7bc332 [0,1,0,0,0,0|3,0,0]=4 1559 B12R0.1 CCOCCCNCC(=O)OCC c1cce805d15c27205b56cf9d1768e34b [0,1,0,0,0,0|3,0,0]=4 1560 B12R0.1 CCOCCCOCC(=O)COC 47bc5ccd3420fa54e86f9cd5fd1e695c [0,1,0,0,0,0|2,0,0]=3 1561 B12R0.1 CCOCCCOCC(=O)OCC 5076ceeeee32075b701b383adc26b88e [0,1,0,0,0,0|2,0,0]=3 1562 B12R0.1 CCOCCNCCC(=O)OCC f63ffb81404f94de545495c6d9ed8dd6 [0,1,0,0,0,0|3,0,0]=4 1563 B12R0.1 CCOCCNCOC(=O)OCC ed49ebd14f923e39bb45a52e1425391e [0,1,0,0,0,0|2,0,0]=3 1564 B12R0.1 CCOCCNCOC(=O)SCC bf0116d7d2696d3590ab54a4ba4fc9ed [0,1,0,0,0,0|2,0,0]=3 1565 B12R0.1 CCOCCOCCC(=O)OCC c7c642be170a8266bf63a56d6c7a2bc0 [0,1,0,0,0,0|3,0,0]=4 1566 B12R0.1 CCOCCOCOC(=O)OCC 3c3895f7c997d4feef6685eda3cec1af [0,1,0,0,0,0|2,0,0]=3 1567 B12R0.1 CCOCCOCOC(=O)SCC 2cabfe740a4d08dba824eb271bf72792 [0,1,0,0,0,0|2,0,0]=3 1568 B12R0.1 CCOCNCCCC(=O)OCC 03cc6946affb3504dc527247dade522d [0,1,0,0,0,0|3,0,0]=4 1569 B12R0.1 CCSC(=O)OCNCCCC#N e606e7a382061172ce1dd208aab69084 [0,1,0,0,0,0|2,0,1]=4 1570 B12R0.1 CCSC(=O)OCNCCCCCl 2734f9d758485254683da8aeccf96912 [0,1,0,0,0,0|2,0,0]=3 1571 B12R0.1 CCSC(=O)OCNCCCCO fe88812265222d00d2ff0d2d8806cf1e [0,1,0,0,0,0|2,0,0]=3 1572 B12R0.1 CCSC(=O)OCNCCCCS 345687864891f15b8fa96e029ab7a2ed [0,1,0,0,0,0|2,0,0]=3 1573 B12R0.1 CCSC(=O)OCNCCCOC f5a3cc1ec14fac22fea6584dfe696eb1 [0,1,0,0,0,0|2,0,0]=3 1574 B12R0.1 CCSC(=O)OCNCCCSC 71dac8f5337036cd5a167f408c84740a [0,1,0,0,0,0|2,0,0]=3 1575 B12R0.1 CCSC(=O)OCOCCCC#N aa2c881b39af8925a209c282573275fb [0,1,0,0,0,0|2,0,1]=4 1576 B12R0.1 CCSC(=O)OCOCCCC=O e3ddf05a8076c7a1cabb534b4c51686a [0,1,0,0,0,0|2,0,1]=4 1577 B12R0.1 CCSC(=O)OCOCCCCF 8a2f72e7430fec17daab35c296a525e6 [0,1,0,0,0,0|2,0,0]=3 1578 B12R0.1 CCSC(=O)OCOCCCCS 15bb7098a5ed012bbda50d884478b92e [0,1,0,0,0,0|2,0,0]=3 1579 B12R0.1 CCSC(=O)OCOCCCOC 4235fc747d4e998ececaf54b48abff59 [0,1,0,0,0,0|2,0,0]=3 1580 B12R0.1 CCSC(=O)OCOCCCSC a31ea85ef0c7d269de93e971a3acd92f [0,1,0,0,0,0|2,0,0]=3 1581 B12R0.1 CCSCCCCNC(=O)CC#N 94fdf8355a91aa84d198351543766281 [0,1,0,0,0,0|2,0,1]=4 1582 B12R0.1 CCSCCCCNC(=O)CC=O b31606b688b9f4c061b4b77030258edf [0,1,0,0,0,0|2,0,1]=4 1583 B12R0.1 CCSCCCCNC(=O)CCF 6b4c8dc221f6db6d6ba37381b52f6050 [0,1,0,0,0,0|2,0,0]=3 1584 B12R0.1 CCSCCCCNC(=O)CCO 8881d63e3c7a599a4d3d355f7d2c721e [0,1,0,0,0,0|2,0,0]=3 1585 B12R0.1 CCSCCCCNC(=O)CCS 1069c3c51ca8ef3386d9c9524c65a31e [0,1,0,0,0,0|2,0,0]=3 1586 B12R0.1 CCSCCCCNC(=O)COC 8121783f22c698c44d9e8b2b20561f0b [0,1,0,0,0,0|2,0,0]=3 1587 B12R0.1 CCSCCCCNC(=O)CON ab59bb32b4f4996a7871907ced341095 [0,1,0,0,0,0|3,0,0]=4 1588 B12R0.1 CCSCCCCNC(=O)CSC fa5806384a7120c0ae5a0cfcaeb0915a [0,1,0,0,0,0|2,0,0]=3 1589 B12R0.1 CCSCCCOCC(=O)COC 4f37cacebc21a84fe13b7ef6a88f0a6c [0,1,0,0,0,0|2,0,0]=3 1590 B12R0.1 CCSCCNCOC(=O)SCC e4141b52a27a8eb556bb15cf0df00898 [0,1,0,0,0,0|2,0,0]=3 1591 B12R0.1 CCSCCOCOC(=O)SCC 9a9e6b7a9f743ce8cf9682c020ad08a2 [0,1,0,0,0,0|2,0,0]=3 1592 B12R0.1 COCC(=O)CNCCCCCCl fccdb41c7c069a66732258d99883415c [0,1,0,0,0,0|3,0,0]=4 1593 B12R0.1 COCC(=O)CNCCCCCO 9120529d0967c2dc131e6bc009c4e41f [0,1,0,0,0,0|3,0,0]=4 1594 B12R0.1 COCC(=O)CNCCCCSC d6d379e370d7b519d568d3eff3f0e2b1 [0,1,0,0,0,0|3,0,0]=4 1595 B12R0.1 COCC(=O)COCCCCC#N 4b545b55f451199b6f1b5ffa579e3503 [0,1,0,0,0,0|2,0,1]=4 1596 B12R0.1 COCC(=O)COCCCCC=O 87ba1851f36790b3d1019cd5dc46cf4a [0,1,0,0,0,0|2,0,1]=4 1597 B12R0.1 COCC(=O)COCCCCSC 42c4aaea28a73b373af3e289007550ea [0,1,0,0,0,0|2,0,0]=3 1598 B12R0.1 COCC(=O)COCCOCCF 24a4b5e7ba01128c7b1220e8115edd7d [0,1,0,0,0,0|3,0,0]=4 1599 B12R0.1 COCC(=O)COCCOCCS 1985d106455dd412e0012c044159bc12 [0,1,0,0,0,0|3,0,0]=4 1600 B12R0.1 COCC(=O)NCCCCCC#N d5ea49622b5b7d214d0a14dc7713452e [0,1,0,0,0,0|2,0,1]=4 1601 B12R0.1 COCC(=O)NCCCCCCCl f56305a7cce204e84369b7b636615ad0 [0,1,0,0,0,0|2,0,0]=3 1602 B12R0.1 COCC(=O)NCCCCCCO 47eb2d30db7a99156764f24b8c47b808 [0,1,0,0,0,0|2,0,0]=3 1603 B12R0.1 COCC(=O)NCCCOCCO 54c8b3b8bffeb2ae5a365806b4650d51 [0,1,0,0,0,0|3,0,0]=4 1604 B12R0.1 COCC(=O)NCCOCCCO 1f74d18d76d5ec52d4826995f7b781d2 [0,1,0,0,0,0|3,0,0]=4 1605 B12R0.1 COCC(C)OCCCCCCF b28346d96fd765bb363871d8e61fc347 [0,1,0,0,0,0|2,0,1]=4 1606 B12R0.1 COCC(C)OCCCCCCS fbdea5ab7605734ac2843a1c559ab8af [0,1,0,0,0,0|2,0,1]=4 1607 B12R0.1 COCCCCCNC(=O)CC#N 74fd0542957626c729ffaab8d9b247c8 [0,1,0,0,0,0|2,0,1]=4 1608 B12R0.1 COCCCCCNC(=O)CC=O 8b23274511d07ac0563d2c6fcfece3a8 [0,1,0,0,0,0|2,0,1]=4 1609 B12R0.1 COCCCCCNC(=O)CCF cc79a7d99c2076a90eabad7434d0bf78 [0,1,0,0,0,0|2,0,0]=3 1610 B12R0.1 COCCCCCNC(=O)CCO abc24b099a0d13686849252390c74130 [0,1,0,0,0,0|2,0,0]=3 1611 B12R0.1 COCCCCCNC(=O)CCS 7b0038ec930985fd4194049fad9639ec [0,1,0,0,0,0|2,0,0]=3 1612 B12R0.1 COCCCCCNC(=O)COC 3f3af212cf0957902c0363b5e2edb388 [0,1,0,0,0,0|2,0,0]=3 1613 B12R0.1 COCCCCCNC(=O)CON 57b7e57fd2f9034d712790d0a6449eb0 [0,1,0,0,0,0|3,0,0]=4 1614 B12R0.1 COCCCCCNC(=O)CSC e339d321d34c24da057e7fce7be55a1c [0,1,0,0,0,0|2,0,0]=3 1615 B12R0.1 COCCCCCOC(C)COC 728729fbe76cf7d0bb2e637773c9cbeb [0,1,0,0,0,0|2,0,1]=4 1616 B12R0.1 COCCCCCOC(C)CSC 8e1b294f0aa90cd3e8f8242da01cad58 [0,1,0,0,0,0|2,0,1]=4 1617 B12R0.1 COCCCCCO[C@@H](C)COC 28ef7be8a0a54b61519cb7f508306417 [0,1,0,0,0,0|2,0,1]=4 1618 B12R0.1 COCCCCCO[C@H](C)COC a4364ddf07ca9465dab05bd4599a0790 [0,1,0,0,0,0|2,0,1]=4 1619 B12R0.1 COCCCCNCC(=O)COC db4a8c3b5e567158737d640c0c4bc172 [0,1,0,0,0,0|3,0,0]=4 1620 B12R0.1 COCCCCOCC(=O)COC 863c08947f65c4bdba2b82e33412ad6c [0,1,0,0,0,0|2,0,0]=3 1621 B12R0.1 COCCOCCNC(=O)CCF c4943380f5d4d9b565e378bd19b699e8 [0,1,0,0,0,0|3,0,0]=4 1622 B12R0.1 COCCOCCNC(=O)CCO 4a9483b0521a4eb2c3d26002857b7356 [0,1,0,0,0,0|3,0,0]=4 1623 B12R0.1 COCCOCCNC(=O)CCS 65576927e2e9f1e904efefff63e2408b [0,1,0,0,0,0|3,0,0]=4 1624 B12R0.1 COCCOCCNC(=O)COC d2e4cbd0760a4af7a7168a1896e4aa73 [0,1,0,0,0,0|3,0,0]=4 1625 B12R0.1 COCCOCCNC(=O)CSC fc2ed1ad55f9e165973ea963c1527f56 [0,1,0,0,0,0|3,0,0]=4 1626 B12R0.1 COC[C@@H](C)OCCCCCCF 381a2c152ced25efd410f1e8eacba0c9 [0,1,0,0,0,0|2,0,1]=4 1627 B12R0.1 COC[C@H](C)OCCCCCCF 3d7ccb7fd2713239c671b3aa2a9f4f91 [0,1,0,0,0,0|2,0,1]=4 1628 B12R0.1 CSCC(=O)NCCCCCC#N b751ec46ab79171cf9d8e0752ad14109 [0,1,0,0,0,0|2,0,1]=4 1629 B12R0.1 CSCC(=O)NCCCCCCCl cea1db6eba198f7e8e21ffd3440f9f98 [0,1,0,0,0,0|2,0,0]=3 1630 B12R0.1 CSCC(=O)NCCCCCCO e46ec23bc07ea057592eca503b3a59c6 [0,1,0,0,0,0|2,0,0]=3 1631 B12R0.1 CSCC(=O)NCCCOCCO e92d73a4a7f3ffe024e6a63ae274881b [0,1,0,0,0,0|3,0,0]=4 1632 B12R0.1 CSCC(=O)NCCOCCCO f05b27822cfa2b6b201f7341fe853e2d [0,1,0,0,0,0|3,0,0]=4 1633 B12R0.1 CSCC(C)OCCCCCCF aaceead665410f7727b1637dfc0543c9 [0,1,0,0,0,0|2,0,1]=4 1634 B12R0.1 N#CCC(=O)NCCCCCCCl e1537fdd53f747d3fe65761dbf265244 [0,1,0,0,0,0|2,0,1]=4 1635 B12R0.1 N#CCC(=O)NCCCCCCO c38905fb5f7fb4daf9df9c1239f06788 [0,1,0,0,0,0|2,0,1]=4 1636 B12R0.1 N#CCCCCCNC(=O)CCF 5655329d75cece700379803b5d019b49 [0,1,0,0,0,0|2,0,1]=4 1637 B12R0.1 N#CCCCCCNC(=O)CCO 1cb4f2177e6af55e195abbbf368999a9 [0,1,0,0,0,0|2,0,1]=4 1638 B12R0.1 N#CCCCCCNC(=O)CCS 1367836d597e26e7515abf582e26d46c [0,1,0,0,0,0|2,0,1]=4 1639 B12R0.1 NOCC(=O)NCCCCCCCl 87176d06cf58d9567573b59ba7695a99 [0,1,0,0,0,0|3,0,0]=4 1640 B12R0.1 NOCC(=O)NCCCCCCO 91609f7f0869dc85d0121f96301cf0f6 [0,1,0,0,0,0|3,0,0]=4 1641 B12R0.1 O=C(CCF)NCCCCCCCl d5c70ce0ae64de935e6f056589a3ac00 [0,1,0,0,0,0|2,0,0]=3 1642 B12R0.1 O=C(CCF)NCCCCCCO 367fe98c8ae2c9593bcc872ae9a58157 [0,1,0,0,0,0|2,0,0]=3 1643 B12R0.1 O=C(CCF)NCCCOCCO ec0d870d95310bbf12f7d317761f4783 [0,1,0,0,0,0|3,0,0]=4 1644 B12R0.1 O=C(CCF)NCCOCCCO 0066c728d1788a05cc3e8c8ee954d742 [0,1,0,0,0,0|3,0,0]=4 1645 B12R0.1 O=C(CCO)NCCCCCCCl 717871a073ce683895d250ac529eb3ed [0,1,0,0,0,0|2,0,0]=3 1646 B12R0.1 O=C(CCO)NCCCCCCO ce4e1d63f68c93347b59610baa8af262 [0,1,0,0,0,0|2,0,0]=3 1647 B12R0.1 O=C(CCO)NCCCOCCO 8bd0dd343da5891c329e2afa9dcd2918 [0,1,0,0,0,0|3,0,0]=4 1648 B12R0.1 O=C(CCO)NCCOCCCO d057475969ef3341e9a76ac34517518b [0,1,0,0,0,0|3,0,0]=4 1649 B12R0.1 O=C(CCS)NCCCCCCCl 86972ac877510f22d9de456e8135622c [0,1,0,0,0,0|2,0,0]=3 1650 B12R0.1 O=C(CCS)NCCCCCCO c40e517184c2eeda2022320ae37d394e [0,1,0,0,0,0|2,0,0]=3 1651 B12R0.1 O=C(CCS)NCCCOCCO 1fdcadaac36e6e72adabbadcd2dc55c3 [0,1,0,0,0,0|3,0,0]=4 1652 B12R0.1 O=C(CCS)NCCOCCCO f12d758625e52bc8eb04339768e44e77 [0,1,0,0,0,0|3,0,0]=4 1653 B12R0.1 O=CCC(=O)NCCCCCCCl 231b134c608a5e9146bfc99aa61d39b1 [0,1,0,0,0,0|2,0,1]=4 1654 B12R0.1 O=CCC(=O)NCCCCCCO 2654e9448eb6af50515eaaefcd04d15e [0,1,0,0,0,0|2,0,1]=4 1655 B12R0.4 C#CCCCCNC(=O)CC(C)C 9db4f75495a7ad9f8dfd457b48dd5297 [0,1,0,0,0,0|1,0,2]=4 1656 B12R0.4 C#CCCCCNC(=O)CC(C)O 2b237c05ee4b9241588c040f8718975c [0,1,0,0,0,0|1,0,2]=4 1657 B12R0.4 C#CCCCCNC(=O)C[C@@H](C)O eae3932c8cba5a97ff21bfe35223f912 [0,1,0,0,0,0|1,0,2]=4 1658 B12R0.4 C#CCCCCNC(=O)C[C@H](C)O be388e7a281b8837ad24642faacc5fa6 [0,1,0,0,0,0|1,0,2]=4 1659 B12R0.4 C#CCCNCOC(=O)CC(C)C 6070022985bebac8b30fde9d89072390 [0,1,0,0,0,0|1,0,2]=4 1660 B12R0.4 C#CCCOCOC(=O)CC(C)C 9bff898cba1c5b3ca924bfc269d5b222 [0,1,0,0,0,0|1,0,2]=4 1661 B12R0.4 C/C=C/COCOC(=O)CC(C)C 4c03486153462dffbbd4d434a96a18c7 [0,1,0,0,0,0|1,0,2]=4 1662 B12R0.4 C/C=C\COCOC(=O)CC(C)C f6a86e26a5457dac9ea17b381133a13a [0,1,0,0,0,0|1,0,2]=4 1663 B12R0.4 C=C(C)CC(=O)NCCCCCC fec25621f2825091ec6bfd351ae0d4b6 [0,1,0,0,0,0|1,0,1]=3 1664 B12R0.4 C=C(C)CC(=O)NCCCCCCl 5961f30f17484a630689cce6c19eee01 [0,1,0,0,0,0|2,0,1]=4 1665 B12R0.4 C=C(C)CC(=O)NCCCCCO 1c7658bdb45e1d0c26538d988a1b5bd1 [0,1,0,0,0,0|2,0,1]=4 1666 B12R0.4 C=C(C)CC(=O)NCCCCOC 863472b01331d5b4f2a44e3dbe94e1a8 [0,1,0,0,0,0|2,0,1]=4 1667 B12R0.4 C=C(C)CC(=O)NCCCCSC d728fafb0601aad66895073543185a5d [0,1,0,0,0,0|2,0,1]=4 1668 B12R0.4 C=C(C)CC(=O)NCCCOCC c1a6fa27698a70b02789bf0f7a6d2cc0 [0,1,0,0,0,0|2,0,1]=4 1669 B12R0.4 C=C(C)CC(=O)NCCOCCC 81d53720b553c2923406d729f5351e4b [0,1,0,0,0,0|2,0,1]=4 1670 B12R0.4 C=CCCCCNC(=O)CC(C)C 2ee8c5dd8e2f58eb38e0f477f6ef68ed [0,1,0,0,0,0|1,0,2]=4 1671 B12R0.4 C=CCCCCNC(=O)CC(C)O 8546ebbbe4ffa2b590e7bcdb25337892 [0,1,0,0,0,0|1,0,2]=4 1672 B12R0.4 C=CCCCCNC(=O)C[C@@H](C)O 19a6c65ce62c8275414e646bac3c59c5 [0,1,0,0,0,0|1,0,2]=4 1673 B12R0.4 C=CCCCCNC(=O)C[C@H](C)O b129ecdbc2eb8bfe7dfefd0a235a4772 [0,1,0,0,0,0|1,0,2]=4 1674 B12R0.4 C=CCCNCOC(=O)CC(C)C 5430bca151d121359ce97f3b8bc5a267 [0,1,0,0,0,0|1,0,2]=4 1675 B12R0.4 C=CCCOCOC(=O)CC(C)C ade786c9cba61d7710e121da78ad90e5 [0,1,0,0,0,0|1,0,2]=4 1676 B12R0.4 CC#CCNCOC(=O)CC(C)C 017fcee885f77b39f0212aa89b867283 [0,1,0,0,0,0|1,0,2]=4 1677 B12R0.4 CC#CCOCOC(=O)CC(C)C 4aad6fa2434f6bdf2b7c3729adf636e8 [0,1,0,0,0,0|1,0,2]=4 1678 B12R0.4 CC(=O)CC(=O)NCCCCCCl 34dfc4ef6b912e172a985efdfddfcd6f [0,1,0,0,0,0|2,0,1]=4 1679 B12R0.4 CC(=O)CC(=O)NCCCCCO 9927336fb3014318285053d05b26c9f5 [0,1,0,0,0,0|2,0,1]=4 1680 B12R0.4 CC(=O)CC(=O)OCCNCCBr 6a9fe08abb22e72ab2739a52199b5ce8 [0,1,0,0,0,0|2,0,1]=4 1681 B12R0.4 CC(=O)CC(=O)OCCNCCF da63fd7d34c269cc0e884df51d5580bb [0,1,0,0,0,0|2,0,1]=4 1682 B12R0.4 CC(=O)CC(=O)OCCNCCI ecec8796d4cb095c0a65b556bde8653d [0,1,0,0,0,0|2,0,1]=4 1683 B12R0.4 CC(=O)CC(=O)OCCNCCO 0a25aa123d27b0e87e18cdb38e5d552b [0,1,0,0,0,0|2,0,1]=4 1684 B12R0.4 CC(=O)CC(=O)OCCNCCS 8b9da3ef86ebb052c1421f3ebd23d40d [0,1,0,0,0,0|2,0,1]=4 1685 B12R0.4 CC(=O)CC(=O)OCCOCCF 75ab3942452f2210cc0896da123f4313 [0,1,0,0,0,0|2,0,1]=4 1686 B12R0.4 CC(=O)CC(=O)OCCOCCS df447e88bd74d1666228bba5c0c0f5c7 [0,1,0,0,0,0|2,0,1]=4 1687 B12R0.4 CC(C)CC(=O)CNCCCCCl 0b29723f79de4a35b1a504000c10e1df [0,1,0,0,0,0|3,0,0]=4 1688 B12R0.4 CC(C)CC(=O)CNCCCCO a6dca13b51ccd87da736c2c60cf069c6 [0,1,0,0,0,0|3,0,0]=4 1689 B12R0.4 CC(C)CC(=O)CNCCCCS e4cebed4f132be5224f9d79204d48128 [0,1,0,0,0,0|3,0,0]=4 1690 B12R0.4 CC(C)CC(=O)COCCCCF 3cb55a3e9bfb1f0551d459e5ba84f6f9 [0,1,0,0,0,0|3,0,0]=4 1691 B12R0.4 CC(C)CC(=O)COCCCCS ae7578da153d67af849bf5d0401d84a6 [0,1,0,0,0,0|3,0,0]=4 1692 B12R0.4 CC(C)CC(=O)NCCCCC#N c67c8ec28a3ee92658144ec222d90063 [0,1,0,0,0,0|2,0,1]=4 1693 B12R0.4 CC(C)CC(=O)NCCCCCCl 1f45033b1f7f737d3eeba2ebdf47b76f [0,1,0,0,0,0|2,0,0]=3 1694 B12R0.4 CC(C)CC(=O)NCCCCCO 39601ebabcda5b0f5f52243cbb094155 [0,1,0,0,0,0|2,0,0]=3 1695 B12R0.4 CC(C)CC(=O)NCCOCCO 0cd3c15e9dc9eb7d36f00bfad39bf1b9 [0,1,0,0,0,0|3,0,0]=4 1696 B12R0.4 CC(C)CC(=O)NCCOCCS 4c8919fb83647451b8c84df5dd4fd958 [0,1,0,0,0,0|3,0,0]=4 1697 B12R0.4 CC(C)CC(=O)NCCSCCO 4a4f6555833ddcc2592f8bcf08973ba9 [0,1,0,0,0,0|3,0,0]=4 1698 B12R0.4 CC(C)CC(=O)OCNCCC#N 7fd6674d446c1ca789bf56762f638f12 [0,1,0,0,0,0|2,0,1]=4 1699 B12R0.4 CC(C)CC(=O)OCNCCCCl 2daafa481a81b53ef3539fe31e646cda [0,1,0,0,0,0|2,0,0]=3 1700 B12R0.4 CC(C)CC(=O)OCNCCCO edd7e5df3e845b5f6a2d0122b29dcc23 [0,1,0,0,0,0|2,0,0]=3 1701 B12R0.4 CC(C)CC(=O)OCNCCON ca7f5c42de0f960d60d68ae41c04d9c9 [0,1,0,0,0,0|3,0,0]=4 1702 B12R0.4 CC(C)CC(=O)OCOCCC#N ac69379627745c4668be2da932d94a1d [0,1,0,0,0,0|2,0,1]=4 1703 B12R0.4 CC(C)CC(=O)OCOCCC=O 6b9ca660da4f2b7d3e598215fba705f4 [0,1,0,0,0,0|2,0,1]=4 1704 B12R0.4 CC(C)CC(=O)OCOCCCF b1833dc774d9e06aabe917cf6b611f00 [0,1,0,0,0,0|2,0,0]=3 1705 B12R0.4 CC(C)CC(=O)OCOCCCS 22e669c597252d25ec876e8ac7acfe47 [0,1,0,0,0,0|2,0,0]=3 1706 B12R0.4 CC(C)CC(C)OCCCCCF 05d423bfbeda2810c028ff68a5a1d193 [0,1,0,0,0,0|2,0,1]=4 1707 B12R0.4 CC(C)C[C@@H](C)OCCCCCF cf7bab716e2ca0476a5a6514c624ee4a [0,1,0,0,0,0|2,0,1]=4 1708 B12R0.4 CC(C)C[C@H](C)OCCCCCF d12d6ad1f7e051f3d7f3b4efae30f943 [0,1,0,0,0,0|2,0,1]=4 1709 B12R0.4 CC(C)OC(=O)OCNCCCCl 8a08356488e35b9e05ed69a2a7073a03 [0,1,0,0,0,0|3,0,0]=4 1710 B12R0.4 CC(C)OC(=O)OCNCCCO 903fac84cc39b8cb022cb26ae6ede7a9 [0,1,0,0,0,0|3,0,0]=4 1711 B12R0.4 CC(C)OC(=O)OCOCCCF 228aee6c7f95e27c6db8d75fbdc200ff [0,1,0,0,0,0|3,0,0]=4 1712 B12R0.4 CC(C)OC(=O)OCOCCCS 1cc914d5f60333430d4af7fe9528d025 [0,1,0,0,0,0|3,0,0]=4 1713 B12R0.4 CC(O)CC(=O)NCCCCC#N d47c630c0de170b050a316eb88e768c1 [0,1,0,0,0,0|2,0,1]=4 1714 B12R0.4 CC(O)CC(=O)NCCCCCCl 695e2375256ee55835ab003e3691b3ad [0,1,0,0,0,0|2,0,0]=3 1715 B12R0.4 CC(O)CC(=O)NCCCCCO f1934e3d32f61937c50698f5901f099a [0,1,0,0,0,0|2,0,0]=3 1716 B12R0.4 CC(O)CC(=O)NCCOCCO 3717324b85ae4338e2671ec1aac12d83 [0,1,0,0,0,0|3,0,0]=4 1717 B12R0.4 CC(O)CC(=O)NCCOCCS d6091c0aa2c835489c2d7bb0d8295b37 [0,1,0,0,0,0|3,0,0]=4 1718 B12R0.4 CC(O)CC(=O)NCCSCCO 78359eea48c981c873c90b65db375e7d [0,1,0,0,0,0|3,0,0]=4 1719 B12R0.4 CC=CCNCOC(=O)CC(C)C 928807b26f693dd7577da6887d8ce561 [0,1,0,0,0,0|1,0,2]=4 1720 B12R0.4 CC=CCOCOC(=O)CC(C)C d5d4427477254d95cfcd3b9665b5a0d6 [0,1,0,0,0,0|1,0,2]=4 1721 B12R0.4 CCCCCCCN(C)CC(C)C c5a0b4dad621f3822a9d1b21c3268cd8 [0,1,0,0,0,0|3,0,0]=4 1722 B12R0.4 CCCCCCCN(C)CC(C)O 88feca56b34c0071fa7b4a34619f34d9 [0,1,0,0,0,0|3,0,0]=4 1723 B12R0.4 CCCCCCCN(C)C[C@@H](C)O 7c172e11e79cd7e87b9a99725a3e60f1 [0,1,0,0,0,0|3,0,0]=4 1724 B12R0.4 CCCCCCCN(C)C[C@H](C)O eeba1698a8237d9658c67a8c9c38cc26 [0,1,0,0,0,0|3,0,0]=4 1725 B12R0.4 CCCCCCNC(=O)/C=C(/C)\Cl 8103bacc36384ab1f587ea335a86fb05 [0,1,0,0,0,0|1,0,2]=4 1726 B12R0.4 CCCCCCNC(=O)/C=C(/C)\I 3097b9ad2a6581fced11d169dc43381d [0,1,0,0,0,0|1,0,2]=4 1727 B12R0.4 CCCCCCNC(=O)/C=C(\C)/Cl 9b80d89e63bb3c92d50bb7a8dda886ae [0,1,0,0,0,0|1,0,2]=4 1728 B12R0.4 CCCCCCNC(=O)C=C(C)C 2daa28d099c15f21bd95af292b6c5409 [0,1,0,0,0,0|1,0,2]=4 1729 B12R0.4 CCCCCCNC(=O)C=C(C)I be0e5910a57ed1fa14a6d006790b57ba [0,1,0,0,0,0|1,0,2]=4 1730 B12R0.4 CCCCCCNC(=O)CC(=O)C d23d026f954447033b6d79a6556609b8 [0,1,0,0,0,0|1,0,1]=3 1731 B12R0.4 CCCCCCNC(=O)CC(=O)N d295e03c4679f8c32bee089e434cf96d [0,1,0,0,0,0|2,0,1]=4 1732 B12R0.4 CCCCCCNC(=O)CC(C)C e2d134362e4b3b169a1a366090e8721d [0,1,0,0,0,0|1,0,0]=2 1733 B12R0.4 CCCCCCNC(=O)CC(C)O 32b3b559c8d90ec3b5ebd997d1c19579 [0,1,0,0,0,0|1,0,0]=2 1734 B12R0.4 CCCCCCNC(=O)CC(F)F d642f7224ee72d5dc73c0f7723f82d29 [0,1,0,0,0,0|2,0,0]=3 1735 B12R0.4 CCCCCCNC(=O)CN(C)C ae75e8c8caf87322890bb7e83b7a0a62 [0,1,0,0,0,0|2,0,0]=3 1736 B12R0.4 CCCCCCNC(=O)C[C@@H](C)O d720b44ab195250c4b816c2522179c13 [0,1,0,0,0,0|1,0,0]=2 1737 B12R0.4 CCCCCCNC(=O)C[C@H](C)O 5de5d081808d5a3720bc88cf4dabcf1f [0,1,0,0,0,0|1,0,0]=2 1738 B12R0.4 CCCCCCNC(C)CC(C)C 75c4776e93142fa96d6e2bc1707a0d5e [0,1,0,0,0,0|2,0,1]=4 1739 B12R0.4 CCCCCCNC(C)CC(C)O b2a00b4b9b4f168db9a930bf770fcde1 [0,1,0,0,0,0|2,0,1]=4 1740 B12R0.4 CCCCCCOC(C)CC(C)C 6560c956dee98a278963955c67d66da6 [0,1,0,0,0,0|1,0,1]=3 1741 B12R0.4 CCCCCCOC(C)CN(C)C 769fa8d939ccdb2eacfd51a952b7df50 [0,1,0,0,0,0|2,0,1]=4 1742 B12R0.4 CCCCCCO[C@@H](C)CC(C)C 1fedb3350284afee43b7173c9f16b760 [0,1,0,0,0,0|1,0,1]=3 1743 B12R0.4 CCCCCCO[C@@H](C)CN(C)C 99bf97c9e51f791ec148daf4a23346b1 [0,1,0,0,0,0|2,0,1]=4 1744 B12R0.4 CCCCCCO[C@H](C)CC(C)C cead5d22bcf79121f5c0623fc0b49e5d [0,1,0,0,0,0|1,0,1]=3 1745 B12R0.4 CCCCCCO[C@H](C)CN(C)C 27df159ba6a483cd1630c6c9b0f0d994 [0,1,0,0,0,0|2,0,1]=4 1746 B12R0.4 CCCCCNCC(=O)CC(C)C 44a613dfb5e5bef891f656e0cbe6cf01 [0,1,0,0,0,0|2,0,0]=3 1747 B12R0.4 CCCCCNCC(=O)NC(C)C 183a4f42ddfd6d59ddd50a4e0eadfb03 [0,1,0,0,0,0|3,0,0]=4 1748 B12R0.4 CCCCCNCC(=O)OC(C)C d976d333ee87ebeb009cf58b88e103e9 [0,1,0,0,0,0|3,0,0]=4 1749 B12R0.4 CCCCCOCC(=O)CC(C)C c9f4e66b4bbf9b5f9530cc231f88e0a9 [0,1,0,0,0,0|2,0,0]=3 1750 B12R0.4 CCCCCOCC(=O)NC(C)C dba7d7ec2c1c22e183876fd3b917f601 [0,1,0,0,0,0|3,0,0]=4 1751 B12R0.4 CCCCCOCC(=O)OC(C)C f0793aa916f4836295bf296290c273cf [0,1,0,0,0,0|3,0,0]=4 1752 B12R0.4 CCCCNCCC(=O)NC(C)C 3f56b9fd6c5b44e4b4ead9828463c4eb [0,1,0,0,0,0|3,0,0]=4 1753 B12R0.4 CCCCNCCC(=O)OC(C)C f0ebe927ffe22827f31b1c9d02521509 [0,1,0,0,0,0|3,0,0]=4 1754 B12R0.4 CCCCNCOC(=O)CC(C)C 2497fa83e769dfcbf16764adc038e036 [0,1,0,0,0,0|1,0,0]=2 1755 B12R0.4 CCCCNCOC(=O)OC(C)C 19ccc84f39517a1ddb3ea497aafb6536 [0,1,0,0,0,0|2,0,0]=3 1756 B12R0.4 CCCCOCCC(=O)NC(C)C 75dd429b117639d83d45bc096dd906c3 [0,1,0,0,0,0|3,0,0]=4 1757 B12R0.4 CCCCOCCC(=O)OC(C)C 369a7786ef01b8e8293f70c41a0691b5 [0,1,0,0,0,0|3,0,0]=4 1758 B12R0.4 CCCCOCOC(=O)CC(C)C 370e54c1f068cc289efc426b3fe9abc5 [0,1,0,0,0,0|1,0,0]=2 1759 B12R0.4 CCCCOCOC(=O)OC(C)C 434cad85f9743f7d11eea82c0cee7ec3 [0,1,0,0,0,0|2,0,0]=3 1760 B12R0.4 CCCCOCOC(C)CC(C)C 7a16e811a9b77f1cd33b3666c19beb10 [0,1,0,0,0,0|2,0,1]=4 1761 B12R0.4 CCCCOCO[C@@H](C)CC(C)C 97732bbd440966772d2a8a338cb0c940 [0,1,0,0,0,0|2,0,1]=4 1762 B12R0.4 CCCCOCO[C@H](C)CC(C)C a897cddc6e857eb9730eb280f075bcd2 [0,1,0,0,0,0|2,0,1]=4 1763 B12R0.4 CCCNCCNC(=O)NC(C)C 75127b5c1236f93ec1265b134af0e200 [0,1,0,0,0,0|3,0,0]=4 1764 B12R0.4 CCCNCCOC(=O)CC(=O)C 2fa44300c32d87a5742905fca3a3dc19 [0,1,0,0,0,0|1,0,1]=3 1765 B12R0.4 CCCOCCNC(=O)CC(=O)C 488bdfd59ee563b7b58eaf4769806434 [0,1,0,0,0,0|2,0,1]=4 1766 B12R0.4 CCCOCCNC(=O)CC(C)C 6b53d9e0ca955a59dff45695bfcfa823 [0,1,0,0,0,0|2,0,0]=3 1767 B12R0.4 CCCOCCNC(=O)CC(C)O 23d34135ec4d4cb31bba7003e2c43dbb [0,1,0,0,0,0|2,0,0]=3 1768 B12R0.4 CCCOCCNC(=O)CC(F)F 9437d7b117c61f4a5ac6ac1fca630e93 [0,1,0,0,0,0|3,0,0]=4 1769 B12R0.4 CCCOCCNC(=O)CN(C)C 6e25c03d71f2abb1598a95ff3b9a6a20 [0,1,0,0,0,0|3,0,0]=4 1770 B12R0.4 CCCOCCNC(=O)C[C@@H](C)O 30dc87323f04980da15514af4c3d8b32 [0,1,0,0,0,0|2,0,0]=3 1771 B12R0.4 CCCOCCNC(=O)C[C@H](C)O c26d75d5a4601257914dffef431078df [0,1,0,0,0,0|2,0,0]=3 1772 B12R0.4 CCCOCCOC(=O)CC(=O)C 2d92124473a605775e5060a69a70fc03 [0,1,0,0,0,0|1,0,1]=3 1773 B12R0.4 CCCOCCOC(C)CC(C)C 9523f427d1ee052064778419c3d5f970 [0,1,0,0,0,0|2,0,1]=4 1774 B12R0.4 CCCOCCO[C@@H](C)CC(C)C 55bc70c331cf08042661cf7b0a11ef7a [0,1,0,0,0,0|2,0,1]=4 1775 B12R0.4 CCCOCCO[C@H](C)CC(C)C 4794306ec4517a96a30bcb109153b3f7 [0,1,0,0,0,0|2,0,1]=4 1776 B12R0.4 CCCSCCOC(C)CC(C)C a3dfc87a3545e68906663c0f9d394340 [0,1,0,0,0,0|2,0,1]=4 1777 B12R0.4 CCOCCCNC(=O)CC(=O)C 43dbd09f819aab86bfb7df1721960914 [0,1,0,0,0,0|2,0,1]=4 1778 B12R0.4 CCOCCCNC(=O)CC(C)C 818ebf8f2fed2c7892fa98e71f4d7619 [0,1,0,0,0,0|2,0,0]=3 1779 B12R0.4 CCOCCCNC(=O)CC(C)O 7e0c7d8a45075de3cf854be15f71c82e [0,1,0,0,0,0|2,0,0]=3 1780 B12R0.4 CCOCCCNC(=O)CC(F)F 4f526a5bce3fa8470b80f47fd9c6c36c [0,1,0,0,0,0|3,0,0]=4 1781 B12R0.4 CCOCCCNC(=O)CN(C)C e5b3f0bd991b6a8ef19df9bcf840ec78 [0,1,0,0,0,0|3,0,0]=4 1782 B12R0.4 CCOCCCNC(=O)C[C@@H](C)O abf3ec743e44271d3fb671b46cc7fd3e [0,1,0,0,0,0|2,0,0]=3 1783 B12R0.4 CCOCCCNC(=O)C[C@H](C)O 0402fae037cbc8e82e87dc84f13d6757 [0,1,0,0,0,0|2,0,0]=3 1784 B12R0.4 CCOCCCOC(C)CC(C)C cdafde57a4dd9d0e5079e321c2ca3f15 [0,1,0,0,0,0|2,0,1]=4 1785 B12R0.4 CCOCCCO[C@@H](C)CC(C)C 5b7269d4396defbc3e1a0be9711154bb [0,1,0,0,0,0|2,0,1]=4 1786 B12R0.4 CCOCCCO[C@H](C)CC(C)C 83c0568d1c1018a1a5250f6eae0d1c45 [0,1,0,0,0,0|2,0,1]=4 1787 B12R0.4 CCOCCNCC(=O)CC(C)C 625398cf34c14f37607a2b4a2cc47860 [0,1,0,0,0,0|3,0,0]=4 1788 B12R0.4 CCOCCOCC(=O)CC(C)C 3f21ccea1ebb2ee7f51fb95bd41ac04d [0,1,0,0,0,0|3,0,0]=4 1789 B12R0.4 CCSCCCOC(C)CC(C)C be2c6d3db1993565cb898733ae9eef6b [0,1,0,0,0,0|2,0,1]=4 1790 B12R0.4 CCSCCCO[C@@H](C)CC(C)C dc874657970cbf115eedc62da421b8b1 [0,1,0,0,0,0|2,0,1]=4 1791 B12R0.4 CCSCCCO[C@H](C)CC(C)C dbecb6184afa6428b5493649039fb012 [0,1,0,0,0,0|2,0,1]=4 1792 B12R0.4 CCSCCNCC(=O)CC(C)C 4e1926bba96add0960a2e969698f21a2 [0,1,0,0,0,0|3,0,0]=4 1793 B12R0.4 CCSCCOCC(=O)CC(C)C 527d5e4b2e78fdf149f66d3e89405ac9 [0,1,0,0,0,0|3,0,0]=4 1794 B12R0.4 CN(C)CC(=O)NCCCCCCl f79507a83c6d33b7b4fa971d942476ca [0,1,0,0,0,0|3,0,0]=4 1795 B12R0.4 CN(C)CC(=O)NCCCCCO a9945a15f930b4b1fad8698d77caf7f2 [0,1,0,0,0,0|3,0,0]=4 1796 B12R0.4 COCCCCNC(=O)CC(=O)C 6c4d9b545b4eddc30d9463c7719d8c16 [0,1,0,0,0,0|2,0,1]=4 1797 B12R0.4 COCCCCNC(=O)CC(C)C b8b473d14a2aa19c4777ecf0603fecb2 [0,1,0,0,0,0|2,0,0]=3 1798 B12R0.4 COCCCCNC(=O)CC(C)O a8e04034d183a8fbdb9a58b27bf0958e [0,1,0,0,0,0|2,0,0]=3 1799 B12R0.4 COCCCCNC(=O)CC(F)F c8b3506136db06d57cb49a45575cca26 [0,1,0,0,0,0|3,0,0]=4 1800 B12R0.4 COCCCCNC(=O)CN(C)C 2ee9412cfb50d6faff3b18c7219c09c6 [0,1,0,0,0,0|3,0,0]=4 1801 B12R0.4 COCCCCNC(=O)C[C@@H](C)O 09217f4f9fa0398c832e92ef7e2e7b15 [0,1,0,0,0,0|2,0,0]=3 1802 B12R0.4 COCCCCNC(=O)C[C@H](C)O 3b22249fb0898e5d3c810ae7f97a3a6f [0,1,0,0,0,0|2,0,0]=3 1803 B12R0.4 COCCCCOC(C)CC(C)C d108d3ae0d0ca1060b11e88ce195bf11 [0,1,0,0,0,0|2,0,1]=4 1804 B12R0.4 COCCCCO[C@@H](C)CC(C)C 15c77cd4128115f7963de25c49690886 [0,1,0,0,0,0|2,0,1]=4 1805 B12R0.4 COCCCCO[C@H](C)CC(C)C 5cafd1c89a3293510e20b2ef71a0684c [0,1,0,0,0,0|2,0,1]=4 1806 B12R0.4 COCCCNCC(=O)CC(C)C 213a339ffeff138829af90ae849c78d4 [0,1,0,0,0,0|3,0,0]=4 1807 B12R0.4 COCCCOCC(=O)CC(C)C 53a97c74b7af555ce1724fa7cffa693c [0,1,0,0,0,0|3,0,0]=4 1808 B12R0.4 COCCNCOC(=O)CC(C)C 4cb490f1601106c860f25b6d25655c5c [0,1,0,0,0,0|2,0,0]=3 1809 B12R0.4 COCCNCOC(=O)OC(C)C cdc530471269cf21784bf56901f51f42 [0,1,0,0,0,0|3,0,0]=4 1810 B12R0.4 COCCOCOC(=O)CC(C)C 89960fbc347c5c1cb33ec68ae64bf414 [0,1,0,0,0,0|2,0,0]=3 1811 B12R0.4 COCCOCOC(=O)OC(C)C f66ed123539fcbe6d81ecbe660d9d037 [0,1,0,0,0,0|3,0,0]=4 1812 B12R0.4 COCOCCOC(=O)CC(=O)C 1eba0faabf9dc16774507cced50734b2 [0,1,0,0,0,0|2,0,1]=4 1813 B12R0.4 CSCCCCNC(=O)CC(=O)C 07dbcb41fbeab3e224df4cbb0917685c [0,1,0,0,0,0|2,0,1]=4 1814 B12R0.4 CSCCCCNC(=O)CC(C)C f7092d3086103518c3c35e18bf7dff9e [0,1,0,0,0,0|2,0,0]=3 1815 B12R0.4 CSCCCCNC(=O)CC(C)O f5ce1597960c2036157c0050d2ce0cc3 [0,1,0,0,0,0|2,0,0]=3 1816 B12R0.4 CSCCCCNC(=O)CC(F)F d674c813a0bd9983eda58ab9f84b6310 [0,1,0,0,0,0|3,0,0]=4 1817 B12R0.4 CSCCCCNC(=O)CN(C)C 1845d19d16b34c5cbb931f6f2d61b6b4 [0,1,0,0,0,0|3,0,0]=4 1818 B12R0.4 CSCCCCNC(=O)C[C@@H](C)O 817110ecc76fbda156e82a71cf2e3ca3 [0,1,0,0,0,0|2,0,0]=3 1819 B12R0.4 CSCCCCNC(=O)C[C@H](C)O 22f626ffc847013cdbb7b0075af47a48 [0,1,0,0,0,0|2,0,0]=3 1820 B12R0.4 CSCCCCOC(C)CC(C)C f572b784eef207b8a77d9df36c3ad9cd [0,1,0,0,0,0|2,0,1]=4 1821 B12R0.4 CSCCCNCC(=O)CC(C)C 8b05f639440417afac5e4e292c5456b8 [0,1,0,0,0,0|3,0,0]=4 1822 B12R0.4 CSCCCOCC(=O)CC(C)C cf33add081955b5be371745a89ea9212 [0,1,0,0,0,0|3,0,0]=4 1823 B12R0.4 CSCCNCOC(=O)CC(C)C aaa71aaa27f028bbbc78d0a63086f16f [0,1,0,0,0,0|2,0,0]=3 1824 B12R0.4 CSCCNCOC(=O)OC(C)C 1b5211ffc3d239d5c4f2ed6fe07bc118 [0,1,0,0,0,0|3,0,0]=4 1825 B12R0.4 CSCCOCOC(=O)CC(C)C 8227e618d22fc454982e380cac708ba3 [0,1,0,0,0,0|2,0,0]=3 1826 B12R0.4 CSCCOCOC(=O)OC(C)C 27a3bd6cb4f9b915e887879cd713aa70 [0,1,0,0,0,0|3,0,0]=4 1827 B12R0.4 C[C@@H](O)CC(=O)NCCCCC#N 1c2e2b4ba55cc09518a608ae3e9ab82c [0,1,0,0,0,0|2,0,1]=4 1828 B12R0.4 C[C@@H](O)CC(=O)NCCCCCCl 155d9eda2f5a89916d9ebc0a7769c227 [0,1,0,0,0,0|2,0,0]=3 1829 B12R0.4 C[C@@H](O)CC(=O)NCCCCCO 143d12efcae6b56933ae8c5b075ffc23 [0,1,0,0,0,0|2,0,0]=3 1830 B12R0.4 C[C@@H](O)CC(=O)NCCOCCO f1beffe3f3475fb11f3ad7902b1f89c3 [0,1,0,0,0,0|3,0,0]=4 1831 B12R0.4 C[C@@H](O)CC(=O)NCCOCCS c9a2c1cdfbc09c9be1adce75d01cfc33 [0,1,0,0,0,0|3,0,0]=4 1832 B12R0.4 C[C@@H](O)CC(=O)NCCSCCO 1226d1fab8d6897f07aef306f669864a [0,1,0,0,0,0|3,0,0]=4 1833 B12R0.4 C[C@H](O)CC(=O)NCCCCC#N c0342fcd863e59722f6cc366cf6ed0d1 [0,1,0,0,0,0|2,0,1]=4 1834 B12R0.4 C[C@H](O)CC(=O)NCCCCCCl 83c19f62aacd3fe6c92d27bc0398ee9f [0,1,0,0,0,0|2,0,0]=3 1835 B12R0.4 C[C@H](O)CC(=O)NCCCCCO b1570d654c2096fabceff30bbe1ed60e [0,1,0,0,0,0|2,0,0]=3 1836 B12R0.4 C[C@H](O)CC(=O)NCCOCCO edbccc8bf8fe7cee401d3045561217ef [0,1,0,0,0,0|3,0,0]=4 1837 B12R0.4 C[C@H](O)CC(=O)NCCOCCS 0c7b066bde20f1d53c018a40bd4b4c89 [0,1,0,0,0,0|3,0,0]=4 1838 B12R0.4 C[C@H](O)CC(=O)NCCSCCO 553b32b57fbfaf9daf7e397ea753ffd1 [0,1,0,0,0,0|3,0,0]=4 1839 B12R0.4 O=C(CC(F)F)NCCCCCCl e339124a36489df095660f98848844db [0,1,0,0,0,0|3,0,0]=4 1840 B12R0.4 O=C(CC(F)F)NCCCCCO 64303adb707d90491d6042addbb2c97e [0,1,0,0,0,0|3,0,0]=4 1841 B12R0.49 C#CC(O)C(=O)NCCCCCC 90f2340377aa2b61e317c4b1f8fe05bf [0,1,0,0,0,0|1,0,2]=4 1842 B12R0.49 C#CCCCCNC(=O)C(O)CC 87c73cfe8f2c1e940aa10fde06735a19 [0,1,0,0,0,0|1,0,2]=4 1843 B12R0.49 C#CCCCCNC(=O)[C@@H](O)CC a843dfbabab93424f9d600b046e9a8b7 [0,1,0,0,0,0|1,0,2]=4 1844 B12R0.49 C#CCCCCNC(=O)[C@@H](S)CC 43c7a0c827adda63fdc67d063201c188 [0,1,0,0,0,0|1,0,2]=4 1845 B12R0.49 C#CCCCCNC(=O)[C@H](O)CC 8eb903527da193e7984022c6bf1554ec [0,1,0,0,0,0|1,0,2]=4 1846 B12R0.49 C/C=C(/C)\C(=O)NCCCCCC cd32294c3f255e13f2ea57ccf12a1c0f [0,1,0,0,0,0|1,0,2]=4 1847 B12R0.49 C/C=C(\Br)/C(=O)NCCCCCC cb892edc21f70be92c0879f15d6e7664 [0,1,0,0,0,0|1,0,2]=4 1848 B12R0.49 C/C=C(\C)/C(=O)NCCCCCC 28d798f12917629e9bc00cd67721f1d5 [0,1,0,0,0,0|1,0,2]=4 1849 B12R0.49 C/C=C(\Cl)/C(=O)NCCCCCC 33f013ed59aaee7a78d1bf516ec515f9 [0,1,0,0,0,0|1,0,2]=4 1850 B12R0.49 C/C=C(\O)/C(=O)NCCCCCC 94af456fd706a8858ebc297c6cfe6973 [0,1,0,0,0,0|1,0,2]=4 1851 B12R0.49 C=C(CC)C(=O)NCCCCCC 9d8959196f3c3634e8011b8ca564656f [0,1,0,0,0,0|1,0,1]=3 1852 B12R0.49 C=C(CC)C(=O)NCCCCCCl afca8e7e9b25d9a0b5ed8b57ee042f24 [0,1,0,0,0,0|2,0,1]=4 1853 B12R0.49 C=C(CC)C(=O)NCCCCCO 03a67674f3f5619aeb23cf98ae15238c [0,1,0,0,0,0|2,0,1]=4 1854 B12R0.49 C=C(CC)C(=O)NCCCCOC 9806cdb9d61435dbd63662e7492b6903 [0,1,0,0,0,0|2,0,1]=4 1855 B12R0.49 C=C(CC)C(=O)NCCCCSC 72d1fbd3e332fca23d7f739572c93855 [0,1,0,0,0,0|2,0,1]=4 1856 B12R0.49 C=C(CC)C(=O)NCCCOCC 26ad5dfc5f12748e43121622b08392f5 [0,1,0,0,0,0|2,0,1]=4 1857 B12R0.49 C=C(CC)C(=O)NCCOCCC d1d316b83d3ff813633b4711d31a4347 [0,1,0,0,0,0|2,0,1]=4 1858 B12R0.49 C=C(CO)C(=O)NCCCCCC ebe7fc68532266bffa9d6b5a5764a866 [0,1,0,0,0,0|2,0,1]=4 1859 B12R0.49 C=CCCCCNC(=O)C(O)CC ecde6213443b0c5462edd92d2cd8d198 [0,1,0,0,0,0|1,0,2]=4 1860 B12R0.49 C=CCCCCNC(=O)[C@@H](O)CC 4c3569cb00268b18403dab8b2419b84b [0,1,0,0,0,0|1,0,2]=4 1861 B12R0.49 C=CCCCCNC(=O)[C@@H](S)CC 9bf6ad52d1e50c1eac409c9111790596 [0,1,0,0,0,0|1,0,2]=4 1862 B12R0.49 C=CCCCCNC(=O)[C@H](O)CC b7b16b07dc188ed6d0508b122e8269d2 [0,1,0,0,0,0|1,0,2]=4 1863 B12R0.49 CC=C(C)C(=O)NCCCCCC 7308b8bb44f85460bf27c9ac13fcc027 [0,1,0,0,0,0|1,0,2]=4 1864 B12R0.49 CCC(=O)C(=O)NCCCCCCl cb1825668dda86a084b889033e739c89 [0,1,0,0,0,0|2,0,1]=4 1865 B12R0.49 CCC(=O)C(=O)NCCCCCO d2ad8df0885a2c11d6e8bd800c2fb99d [0,1,0,0,0,0|2,0,1]=4 1866 B12R0.49 CCC(=O)C(=O)NCCCCOC 5e10aa51a325abddb7b40370d880d5e2 [0,1,0,0,0,0|2,0,1]=4 1867 B12R0.49 CCC(=O)C(=O)NCCCCSC 19667dbd1c2a4f65682e366ac50eedfd [0,1,0,0,0,0|2,0,1]=4 1868 B12R0.49 CCC(C)C(=O)CNCCCCCl 5e00bd5c0d02fcfbdd887e53c2661163 [0,1,0,0,0,0|3,0,0]=4 1869 B12R0.49 CCC(C)C(=O)CNCCCCO f6d2bd2930611388b2292a864e53d4af [0,1,0,0,0,0|3,0,0]=4 1870 B12R0.49 CCC(C)C(=O)CNCCCCS f859f76901e4e4632df65dda5be14ac5 [0,1,0,0,0,0|3,0,0]=4 1871 B12R0.49 CCC(C)C(=O)CNCCCOC 5e8c3ac1b68ac08dc6ed338f35e596cd [0,1,0,0,0,0|3,0,0]=4 1872 B12R0.49 CCC(C)C(=O)CNCCCSC c760392e33890d283a89011a70c37256 [0,1,0,0,0,0|3,0,0]=4 1873 B12R0.49 CCC(C)C(=O)COCCCCF 4ab2a4a3ff488c26f7ad8c03c8fe5960 [0,1,0,0,0,0|3,0,0]=4 1874 B12R0.49 CCC(C)C(=O)COCCCCS 8c0b1de4841bd3f4bcbddb446993fa5d [0,1,0,0,0,0|3,0,0]=4 1875 B12R0.49 CCC(C)C(=O)COCCCOC 9732dae20017e276cf3678e69f6679e1 [0,1,0,0,0,0|3,0,0]=4 1876 B12R0.49 CCC(C)C(=O)COCCCSC 4c47f52aeeb27560bba8c07c6ccc47e2 [0,1,0,0,0,0|3,0,0]=4 1877 B12R0.49 CCC(C)C(C)OCCCCCF 700e11bfacae2032bf07a62e0a725f8e [0,1,0,0,0,0|2,0,1]=4 1878 B12R0.49 CCC(C)C(C)OCCCCOC d764f121d436b5b73dd1e495d1bf4f48 [0,1,0,0,0,0|2,0,1]=4 1879 B12R0.49 CCC(O)C(=O)NCCCCC#N d28c9408309749be7e6c78c5566de369 [0,1,0,0,0,0|2,0,1]=4 1880 B12R0.49 CCC(O)C(=O)NCCCCCCl bf3f1ac66b1a1baf958e367ac0c77792 [0,1,0,0,0,0|2,0,0]=3 1881 B12R0.49 CCC(O)C(=O)NCCCCCO 8a96b34cdc8e800cf1a08af6419edc2c [0,1,0,0,0,0|2,0,0]=3 1882 B12R0.49 CCC(O)C(=O)NCCCCOC 9440b73e6d68200060112ee2126a84f9 [0,1,0,0,0,0|2,0,0]=3 1883 B12R0.49 CCC(O)C(=O)NCCCCSC acb0105bb8f5dbd86a54b854eb396a58 [0,1,0,0,0,0|2,0,0]=3 1884 B12R0.49 CCC(O)C(=O)NCCOCCO 8257174d783e67131f562d8cd1594584 [0,1,0,0,0,0|3,0,0]=4 1885 B12R0.49 CCC(O)C(=O)NCCOCCS 94a85a16beedbada5462818c5f59042b [0,1,0,0,0,0|3,0,0]=4 1886 B12R0.49 CCC(O)C(=O)NCCSCCO 1a3eb829cd8a023ffc20ab96a0fd0195 [0,1,0,0,0,0|3,0,0]=4 1887 B12R0.49 CCCCC/C=C/C(=O)N(C)CC d4db29ff07fe309d7264826a79cb4dbf [0,1,0,0,0,0|2,0,1]=4 1888 B12R0.49 CCCCCC#CC(=O)N(C)CC 38a22927db674173e43a7bc512ecd9fe [0,1,0,0,0,0|2,0,1]=4 1889 B12R0.49 CCCCCCCC(=O)N(C)CC 83e40ec91cb24b08704b6b5ef4a2b915 [0,1,0,0,0,0|2,0,0]=3 1890 B12R0.49 CCCCCCCN(C)C(C)CC 0647a36374c0995af2657bc5e31cac63 [0,1,0,0,0,0|3,0,0]=4 1891 B12R0.49 CCCCCCNC(=O)C(=O)CC 7264216756797e0820cbad46eb24a1ae [0,1,0,0,0,0|1,0,1]=3 1892 B12R0.49 CCCCCCNC(=O)C(=O)CS 1fdde9ea43a533cb00a651f3ae6c2041 [0,1,0,0,0,0|2,0,1]=4 1893 B12R0.49 CCCCCCNC(=O)C(=O)NC 019e6e4c3e343df93665f7cb503c6e96 [0,1,0,0,0,0|2,0,1]=4 1894 B12R0.49 CCCCCCNC(=O)C(=O)OC 58458ff126e2f04017c72d7375f209c5 [0,1,0,0,0,0|2,0,1]=4 1895 B12R0.49 CCCCCCNC(=O)C(C)OC b77bfc4f3a4a50a0e3f74b97e3cf3c2d [0,1,0,0,0,0|2,0,0]=3 1896 B12R0.49 CCCCCCNC(=O)C(C)SC 7fe254c25e044d1a8220c4931d97c43f [0,1,0,0,0,0|2,0,0]=3 1897 B12R0.49 CCCCCCNC(=O)C(O)CC 2dfea7a29e1f1e17066b0443b9b3b5d1 [0,1,0,0,0,0|1,0,0]=2 1898 B12R0.49 CCCCCCNC(=O)C(O)CO a52779fab47d71e25a117ddca18c8ce2 [0,1,0,0,0,0|2,0,0]=3 1899 B12R0.49 CCCCCCNC(=O)N(C)CC 4387ed06ecf814f68baf97ce7e00e254 [0,1,0,0,0,0|2,0,0]=3 1900 B12R0.49 CCCCCCNC(=O)[C@@H](C)OC c7684af5b7ff45f4507ad84577e32b95 [0,1,0,0,0,0|2,0,0]=3 1901 B12R0.49 CCCCCCNC(=O)[C@@H](O)CC ef709ce52ace53a564fc6f54c3771e3a [0,1,0,0,0,0|1,0,0]=2 1902 B12R0.49 CCCCCCNC(=O)[C@@H](O)CO bbbf168e3f213966554aacfd4e5e1e06 [0,1,0,0,0,0|2,0,0]=3 1903 B12R0.49 CCCCCCNC(=O)[C@@H](S)CC 68fcc5e375da4a1f458720ad00f998ff [0,1,0,0,0,0|1,0,0]=2 1904 B12R0.49 CCCCCCNC(=O)[C@H](C)OC cbdd9a82ec4e5509ada63f3705450143 [0,1,0,0,0,0|2,0,0]=3 1905 B12R0.49 CCCCCCNC(=O)[C@H](O)CC 1101341d39415ea85dd3b3c27fdee73b [0,1,0,0,0,0|1,0,0]=2 1906 B12R0.49 CCCCCCNC(=O)[C@H](O)CF 0150db93c3b625d7771cccd94e5f17ea [0,1,0,0,0,0|2,0,0]=3 1907 B12R0.49 CCCCCCNC(=S)N(C)CC d053c4e8edada90de307501eefea8ad2 [0,1,0,0,0,0|2,1,0]=4 1908 B12R0.49 CCCCCCNC(C)C(C)CC 83716d2ad7b09b3564c794306511f47a [0,1,0,0,0,0|2,0,1]=4 1909 B12R0.49 CCCCCCOC(C)C(=O)CC 77eb954fa0eab347b81b442736d1a06d [0,1,0,0,0,0|1,0,2]=4 1910 B12R0.49 CCCCCCOC(C)C(C)CC 630ae98cf26b58ae6dbb94ab711c8595 [0,1,0,0,0,0|1,0,1]=3 1911 B12R0.49 CCCCCCOC(C)C(C)OC d1b7b41c7c9f556abf4fdb68c1f923a1 [0,1,0,0,0,0|2,0,1]=4 1912 B12R0.49 CCCCCNCC(=O)C(C)CC 1e86c410e39631c2b0331ebc112f9c4c [0,1,0,0,0,0|2,0,0]=3 1913 B12R0.49 CCCCCNCC(=O)N(C)CC 1287814cecf20c77abde74dbc51e0955 [0,1,0,0,0,0|3,0,0]=4 1914 B12R0.49 CCCCCOCC(=O)C(C)CC 4d387cda75bd197376ebdf1746c2cdde [0,1,0,0,0,0|2,0,0]=3 1915 B12R0.49 CCCCCOCC(=O)N(C)CC b4587369bbc7aa98f99a1e98e6647ea9 [0,1,0,0,0,0|3,0,0]=4 1916 B12R0.49 CCCCOCCC(=O)N(C)CC 3239239163c912dd00ed16a547a35a0d [0,1,0,0,0,0|3,0,0]=4 1917 B12R0.49 CCCCOCOC(C)C(C)CC 192f69cd6d06ae3481bbadb2cef2f1ca [0,1,0,0,0,0|2,0,1]=4 1918 B12R0.49 CCCOCCNC(=O)C(=O)CC 604861ed88e8caaaf850f487699d0736 [0,1,0,0,0,0|2,0,1]=4 1919 B12R0.49 CCCOCCNC(=O)C(C)OC 3111c159c7fff7644e182247afe7d2b1 [0,1,0,0,0,0|3,0,0]=4 1920 B12R0.49 CCCOCCNC(=O)C(C)SC 7c4395dfc68ef130cbca1bbb45041139 [0,1,0,0,0,0|3,0,0]=4 1921 B12R0.49 CCCOCCNC(=O)C(O)CC 89e8baa7e85ca1a249ed5c1a95844311 [0,1,0,0,0,0|2,0,0]=3 1922 B12R0.49 CCCOCCNC(=O)C(O)CO fd515d333ea0bc2deb2d1d2001d375fd [0,1,0,0,0,0|3,0,0]=4 1923 B12R0.49 CCCOCCNC(=O)N(C)CC 3bc0e55878f53c4307d3c8b771e3c314 [0,1,0,0,0,0|3,0,0]=4 1924 B12R0.49 CCCOCCNC(=O)[C@@H](C)OC 2a82ff95b84fa81c03318375e701c58b [0,1,0,0,0,0|3,0,0]=4 1925 B12R0.49 CCCOCCNC(=O)[C@@H](O)CC 84d3d59f9ec1a97253495961fe599948 [0,1,0,0,0,0|2,0,0]=3 1926 B12R0.49 CCCOCCNC(=O)[C@@H](O)CO d264caed470e21b16f827e12dba2bd7f [0,1,0,0,0,0|3,0,0]=4 1927 B12R0.49 CCCOCCNC(=O)[C@@H](S)CC d6ca6047a38925641dd42efcb05e3d48 [0,1,0,0,0,0|2,0,0]=3 1928 B12R0.49 CCCOCCNC(=O)[C@H](C)OC b97f630dd77c17a5f33b2832adc4d8eb [0,1,0,0,0,0|3,0,0]=4 1929 B12R0.49 CCCOCCNC(=O)[C@H](O)CC 79380398f36c905b8b1ade02a1071a51 [0,1,0,0,0,0|2,0,0]=3 1930 B12R0.49 CCCOCCNC(=O)[C@H](O)CF 751dd3ac64079c4757d544d0a8019405 [0,1,0,0,0,0|3,0,0]=4 1931 B12R0.49 CCCOCCOC(C)C(C)CC 0031d513f26ba6a645d242bbd3f5cfd2 [0,1,0,0,0,0|2,0,1]=4 1932 B12R0.49 CCN(C)C(=O)CCCCCCF e42f6fe668b4b9dd6d4bb7c5202c8f1e [0,1,0,0,0,0|3,0,0]=4 1933 B12R0.49 CCN(C)C(=O)CCCCCCO 7f22ffcb79536a421880d35c39d868ab [0,1,0,0,0,0|3,0,0]=4 1934 B12R0.49 CCN(C)C(=O)CCCCCCS 9972e9cfb4a192bc58a2a1458ce03301 [0,1,0,0,0,0|3,0,0]=4 1935 B12R0.49 CCN(C)C(=O)CCCCCOC 1b3b9cc77168f3d7faca86fc83d97b6e [0,1,0,0,0,0|3,0,0]=4 1936 B12R0.49 CCN(C)C(=O)NCCCCCN 25d215397ca65549b805cc4ddeaea424 [0,1,0,0,0,0|3,0,0]=4 1937 B12R0.49 CCN(C)C(=O)NCCCCCO efafedba135aded94dabcba441b74943 [0,1,0,0,0,0|3,0,0]=4 1938 B12R0.49 CCN(C)C(=O)NCCCCOC 7753e713ccc11dca7fea804a34abae74 [0,1,0,0,0,0|3,0,0]=4 1939 B12R0.49 CCN(C)C(=O)NCCCCSC 84a57c49533f9c73e10bcbbeeb656c7f [0,1,0,0,0,0|3,0,0]=4 1940 B12R0.49 CCOCCCCC(=O)N(C)CC aced8a394735618ba6dd6b189aa47daf [0,1,0,0,0,0|3,0,0]=4 1941 B12R0.49 CCOCCCNC(=O)C(=O)CC b2e30ccf3fe004254f5b06bde088aa23 [0,1,0,0,0,0|2,0,1]=4 1942 B12R0.49 CCOCCCNC(=O)C(C)OC 4d49b6c875145126919b05d8dd7ecbac [0,1,0,0,0,0|3,0,0]=4 1943 B12R0.49 CCOCCCNC(=O)C(C)SC 99469fc94e4c74abff79c14869aa146f [0,1,0,0,0,0|3,0,0]=4 1944 B12R0.49 CCOCCCNC(=O)C(O)CC 167747e8c6410e958f142b0e256ba04a [0,1,0,0,0,0|2,0,0]=3 1945 B12R0.49 CCOCCCNC(=O)C(O)CO 6cdaa24cb04ccde93455bd07359f9488 [0,1,0,0,0,0|3,0,0]=4 1946 B12R0.49 CCOCCCNC(=O)N(C)CC 29aea21eeabff10d51398ab35259ec19 [0,1,0,0,0,0|3,0,0]=4 1947 B12R0.49 CCOCCCNC(=O)[C@@H](C)OC 513cbc69158012ea84faffa59762a0b4 [0,1,0,0,0,0|3,0,0]=4 1948 B12R0.49 CCOCCCNC(=O)[C@@H](O)CC b0dc51477be07cc202403603aa0a8dfa [0,1,0,0,0,0|2,0,0]=3 1949 B12R0.49 CCOCCCNC(=O)[C@@H](O)CO 172328cdc6d6ff636500f873bd850016 [0,1,0,0,0,0|3,0,0]=4 1950 B12R0.49 CCOCCCNC(=O)[C@@H](S)CC 26bd658e323fe7dc638a013cca003f81 [0,1,0,0,0,0|2,0,0]=3 1951 B12R0.49 CCOCCCNC(=O)[C@H](C)OC 134a8297fdb1a0d7ec41f278fbdce7b8 [0,1,0,0,0,0|3,0,0]=4 1952 B12R0.49 CCOCCCNC(=O)[C@H](O)CC c5a6b9675fe01735a284b80800911ece [0,1,0,0,0,0|2,0,0]=3 1953 B12R0.49 CCOCCCNC(=O)[C@H](O)CF 12731d4320db9f5d4665bc741d2a4ac5 [0,1,0,0,0,0|3,0,0]=4 1954 B12R0.49 CCOCCCOC(C)C(C)CC 2d9d756fb7800731d6ad9aa749a536d9 [0,1,0,0,0,0|2,0,1]=4 1955 B12R0.49 CCOCCNCC(=O)C(C)CC f3349a5aa97694d6bf69f9e411fca851 [0,1,0,0,0,0|3,0,0]=4 1956 B12R0.49 CCOCCOCC(=O)C(C)CC 69cfafc24e5fad119aa54b59842a1c39 [0,1,0,0,0,0|3,0,0]=4 1957 B12R0.49 CCSCCCOC(C)C(C)CC 6101fa808935c6a85ababf9a2307f9a4 [0,1,0,0,0,0|2,0,1]=4 1958 B12R0.49 CCSCCNCC(=O)C(C)CC f746219df2ff8a45b60efd4c507829ae [0,1,0,0,0,0|3,0,0]=4 1959 B12R0.49 CCSCCOCC(=O)C(C)CC 806b71eb09bb38f84c2a06a512d442d3 [0,1,0,0,0,0|3,0,0]=4 1960 B12R0.49 CC[C@@H](O)C(=O)NCCCCC#N a66e43bedb65dd8f7709e8aa10989b6b [0,1,0,0,0,0|2,0,1]=4 1961 B12R0.49 CC[C@@H](O)C(=O)NCCCCCCl 93b35cb57d3feeef3ec0afcf3e4295ca [0,1,0,0,0,0|2,0,0]=3 1962 B12R0.49 CC[C@@H](O)C(=O)NCCCCCO 6651ce84f5bf43d065db6fd2acd69499 [0,1,0,0,0,0|2,0,0]=3 1963 B12R0.49 CC[C@@H](O)C(=O)NCCCCOC 51c5fa18bf3b31cc9885b7ec41f23364 [0,1,0,0,0,0|2,0,0]=3 1964 B12R0.49 CC[C@@H](O)C(=O)NCCCCSC 431a76d7b96209701ca86b3cff9dbb04 [0,1,0,0,0,0|2,0,0]=3 1965 B12R0.49 CC[C@@H](O)C(=O)NCCOCCO 4ee2ec2637a276bd4d6cab52b39d7f76 [0,1,0,0,0,0|3,0,0]=4 1966 B12R0.49 CC[C@@H](O)C(=O)NCCOCCS 96bbd59d884bf617b2c76231d129f52f [0,1,0,0,0,0|3,0,0]=4 1967 B12R0.49 CC[C@@H](O)C(=O)NCCSCCO 954f9326828b52a8dec39f4b875d5249 [0,1,0,0,0,0|3,0,0]=4 1968 B12R0.49 CC[C@H](O)C(=O)NCCCCC#N 9fbf68d163535744e272e2f10a270551 [0,1,0,0,0,0|2,0,1]=4 1969 B12R0.49 CC[C@H](O)C(=O)NCCCCCCl 83212c4a8224aee8a7d8685523e65470 [0,1,0,0,0,0|2,0,0]=3 1970 B12R0.49 CC[C@H](O)C(=O)NCCCCCO f27d502ca0afa49c39b183a830202da1 [0,1,0,0,0,0|2,0,0]=3 1971 B12R0.49 CC[C@H](O)C(=O)NCCCCOC 47162c6e7ab1f08818373e29249b1559 [0,1,0,0,0,0|2,0,0]=3 1972 B12R0.49 CC[C@H](O)C(=O)NCCCCSC 86bba83edb4df1331948258e5cca2055 [0,1,0,0,0,0|2,0,0]=3 1973 B12R0.49 CC[C@H](O)C(=O)NCCOCCO 92e81b55252600ddec359b8886db6846 [0,1,0,0,0,0|3,0,0]=4 1974 B12R0.49 CC[C@H](O)C(=O)NCCOCCS 82853cb6a446960ab48db2ab1300853a [0,1,0,0,0,0|3,0,0]=4 1975 B12R0.49 CC[C@H](O)C(=O)NCCSCCO a93dc3aad7c0d5ace976e2e7bfc20f0e [0,1,0,0,0,0|3,0,0]=4 1976 B12R0.49 CC[C@H](S)C(=O)NCCCCC#N 9332df3c5d820c4968f2244d239e659a [0,1,0,0,0,0|2,0,1]=4 1977 B12R0.49 CC[C@H](S)C(=O)NCCCCCCl ed2d15600bffd1a87a44fbf2f6633990 [0,1,0,0,0,0|2,0,0]=3 1978 B12R0.49 CC[C@H](S)C(=O)NCCCCCO da815a91ff4ace2e94f709c3c7ee0e2a [0,1,0,0,0,0|2,0,0]=3 1979 B12R0.49 CC[C@H](S)C(=O)NCCCCOC 69ae238fe41b9a44026992206edb0e00 [0,1,0,0,0,0|2,0,0]=3 1980 B12R0.49 CC[C@H](S)C(=O)NCCCCSC ad8792ee066d852f006ed39e2a73dc38 [0,1,0,0,0,0|2,0,0]=3 1981 B12R0.49 CC[C@H](S)C(=O)NCCOCCO ef5dda78338cafeb88c9024b2305ba91 [0,1,0,0,0,0|3,0,0]=4 1982 B12R0.49 CC[C@H](S)C(=O)NCCOCCS 22f2d46e412d5480b962bc61b6b06144 [0,1,0,0,0,0|3,0,0]=4 1983 B12R0.49 CC[C@H](S)C(=O)NCCSCCO 3fdb367639e2e839308e9ba611274af6 [0,1,0,0,0,0|3,0,0]=4 1984 B12R0.49 COC(C)C(=O)NCCCCCCl 6639a33cac038d6efd26f3f568b32ff9 [0,1,0,0,0,0|3,0,0]=4 1985 B12R0.49 COC(C)C(=O)NCCCCCO 21545bc1c945b4904d573f0d4fabd7b9 [0,1,0,0,0,0|3,0,0]=4 1986 B12R0.49 COC(C)C(=O)NCCCCSC 1fec200ec55500efd35cf54a0db22824 [0,1,0,0,0,0|3,0,0]=4 1987 B12R0.49 COCCCCNC(=O)C(C)OC 50896985c8cfc8526ece78e50d434068 [0,1,0,0,0,0|3,0,0]=4 1988 B12R0.49 COCCCCNC(=O)C(C)SC a89662d5a1a6aca1e8fb8d2a70a6a2f8 [0,1,0,0,0,0|3,0,0]=4 1989 B12R0.49 COCCCCNC(=O)C(O)CO dc690b3c212345fdc23314230fa78972 [0,1,0,0,0,0|3,0,0]=4 1990 B12R0.49 COCCCCNC(=O)[C@@H](C)OC a885dbd0bbafedc789fcb4546700cae1 [0,1,0,0,0,0|3,0,0]=4 1991 B12R0.49 COCCCCNC(=O)[C@@H](O)CO 3c3ba46950a4fa81750376a630f63af3 [0,1,0,0,0,0|3,0,0]=4 1992 B12R0.49 COCCCCNC(=O)[C@H](C)OC ff3cd2fafb1fc7ad2a2f9ea36c79c470 [0,1,0,0,0,0|3,0,0]=4 1993 B12R0.49 COCCCCNC(=O)[C@H](O)CF 1cc5bc38cf7170fbf922199f0949c1ec [0,1,0,0,0,0|3,0,0]=4 1994 B12R0.49 CO[C@@H](C)C(=O)NCCCCCCl 297c3125698d5740f11a696fb7244b8c [0,1,0,0,0,0|3,0,0]=4 1995 B12R0.49 CO[C@@H](C)C(=O)NCCCCCO 9345f48018c2ce1120ed12730ac0ce13 [0,1,0,0,0,0|3,0,0]=4 1996 B12R0.49 CO[C@@H](C)C(=O)NCCCCSC 2813fc413b8deccccd925012d6144a4b [0,1,0,0,0,0|3,0,0]=4 1997 B12R0.49 CO[C@H](C)C(=O)NCCCCCCl 82508982c4c65d4eb3b25af5a0349a15 [0,1,0,0,0,0|3,0,0]=4 1998 B12R0.49 CO[C@H](C)C(=O)NCCCCCO edbe412e085379d9ccbce14b27c4f7af [0,1,0,0,0,0|3,0,0]=4 1999 B12R0.49 CO[C@H](C)C(=O)NCCCCSC c1075e41d0af48861635b0cde1577555 [0,1,0,0,0,0|3,0,0]=4 2000 B12R0.49 CSC(C)C(=O)NCCCCCCl fbd7b2947d528a59227e872acbf0577c [0,1,0,0,0,0|3,0,0]=4 2001 B12R0.49 CSC(C)C(=O)NCCCCCO 98dc3fab9e6c6621dd3f96c87a990783 [0,1,0,0,0,0|3,0,0]=4 2002 B12R0.49 CSCCCCNC(=O)C(C)SC 28a89eae3db1ee1172dd254a727e10e0 [0,1,0,0,0,0|3,0,0]=4 2003 B12R0.49 CSCCCCNC(=O)C(O)CO 973fca9c2575149633e363d9138b3084 [0,1,0,0,0,0|3,0,0]=4 2004 B12R0.49 CSCCCCNC(=O)[C@@H](O)CO c2ea672218af8ea8654e9ef53d05af55 [0,1,0,0,0,0|3,0,0]=4 2005 B12R0.49 CSCCCCNC(=O)[C@H](O)CF 7ca63a6179e70ea056c7b763d298a823 [0,1,0,0,0,0|3,0,0]=4 2006 B12R0.49 O=C(NCCCCCCl)C(O)CO 769ca8b9c4e41e0aa9c3ecf694bed738 [0,1,0,0,0,0|3,0,0]=4 2007 B12R0.49 O=C(NCCCCCCl)[C@@H](O)CO 5b3ce19072466265b37c53c23ad2b823 [0,1,0,0,0,0|3,0,0]=4 2008 B12R0.49 O=C(NCCCCCCl)[C@H](O)CF 46591c0b4050fac20546e3dbeb468b93 [0,1,0,0,0,0|3,0,0]=4 2009 B12R0.49 O=C(NCCCCCO)C(O)CO 4d0c8a22366f37a24bc91e300943876e [0,1,0,0,0,0|3,0,0]=4 2010 B12R0.49 O=C(NCCCCCO)[C@@H](O)CO 28f7ec4534098ceb6e798726394a9c72 [0,1,0,0,0,0|3,0,0]=4 2011 B12R0.49 O=C(NCCCCCO)[C@H](O)CF eb2f7dbab32d74c4fb41c4c52cb366b2 [0,1,0,0,0,0|3,0,0]=4 2012 B12R0.101 C#CCC(=O)NCC(O)CCCC e180db10182b2c9cc974558c7a3c818d [0,1,0,0,0,0|1,0,2]=4 2013 B12R0.101 C#CCCN(C)COC(=O)CCC 186c51a3fca75bdedb0a1a200e07a415 [0,1,0,0,0,0|1,0,2]=4 2014 B12R0.101 C/C=C/C(=O)NCC(O)CCCC 796279b48a2ab5b9ad5f52d8a8e0b86f [0,1,0,0,0,0|1,0,2]=4 2015 B12R0.101 C=CCC(=O)NCC(O)CCCC 9d738eec595049cd3298e47ffbc097da [0,1,0,0,0,0|1,0,2]=4 2016 B12R0.101 C=CCCC(O)CNC(=O)CCC e593e775107814934f234faef1a94ef4 [0,1,0,0,0,0|1,0,2]=4 2017 B12R0.101 C=CCCN(C)COC(=O)CCC fd297399b46ea31be6159f4a084187fc [0,1,0,0,0,0|1,0,2]=4 2018 B12R0.101 CC#CC(=O)NCC(O)CCCC 5a63fba0c0a6c3e1cea802c8f3769454 [0,1,0,0,0,0|1,0,2]=4 2019 B12R0.101 CCCC(=O)CNC(C)CCCO fd4cb5fb004f60b2f252dec473950bfa [0,1,0,0,0,0|3,0,0]=4 2020 B12R0.101 CCCC(=O)CN[C@H](C)CCCO 7f837ae155d835ceb55d3cd16720920b [0,1,0,0,0,0|3,0,0]=4 2021 B12R0.101 CCCC(=O)COC(C)CCOC 4681545122255474c8094be9f229bd36 [0,1,0,0,0,0|3,0,0]=4 2022 B12R0.101 CCCC(=O)COC(C)COCC e4b0159e7a9f57dab16633647afc081f [0,1,0,0,0,0|3,0,0]=4 2023 B12R0.101 CCCC(=O)NCC(O)COCC 1b42f124a08f92a2c428ba307c7eb679 [0,1,0,0,0,0|2,0,0]=3 2024 B12R0.101 CCCC(=O)NC[C@H](C)CCCO 1656882a503ac29450bf52d7c1a4a84b [0,1,0,0,0,0|2,0,0]=3 2025 B12R0.101 CCCC(=O)OCN(C)CCC#N ad4187f5bb28fa23719280c8c9af3f8f [0,1,0,0,0,0|2,0,1]=4 2026 B12R0.101 CCCC(=O)OCN(C)CCCO 5cc2d72f2111168666a3a0a4efacdc0f [0,1,0,0,0,0|2,0,0]=3 2027 B12R0.101 CCCC(=O)OCN(C)CCOC 8eb63ab24ba8198b7c8dc3befcd0e5e3 [0,1,0,0,0,0|2,0,0]=3 2028 B12R0.101 CCCC(=O)OCN(C)CCON f7bdaf79cd4fbc7bfd02bd8821a50f4f [0,1,0,0,0,0|3,0,0]=4 2029 B12R0.101 CCCC(=O)OCN(C)CCSC 00b5529d2e7e98fbac10c4feede27647 [0,1,0,0,0,0|2,0,0]=3 2030 B12R0.101 CCCC(=S)OCC(=O)CCSC 4096f38224fee377d6a074cbcffb31dd [0,1,0,0,0,0|1,1,1]=4 2031 B12R0.101 CCCCC(C)COC(C)CCC ff28859038a100332933adb071ad9b46 [0,1,0,0,0,0|1,0,1]=3 2032 B12R0.101 CCCCC(C)COC(C)COC 87e1ce0267187e883beca7d5617f587c [0,1,0,0,0,0|2,0,1]=4 2033 B12R0.101 CCCCC(C)NCC(=O)CCC 852209e1badda00956d06d4203171844 [0,1,0,0,0,0|2,0,0]=3 2034 B12R0.101 CCCCC(C)NCC(=O)COC 4f9dbd50ecb43c9c0815d6932b7f134c [0,1,0,0,0,0|3,0,0]=4 2035 B12R0.101 CCCCC(C)NCC(=O)NCC 440ff2e284fcb9583e85a05290ba6947 [0,1,0,0,0,0|3,0,0]=4 2036 B12R0.101 CCCCC(C)NCC(=O)OCC d154861d7f7c44c40eadfe4aed771c8b [0,1,0,0,0,0|3,0,0]=4 2037 B12R0.101 CCCCC(C)OCC(=O)CCC 5d2d6a3b62905faebc611bd3061585ff [0,1,0,0,0,0|2,0,0]=3 2038 B12R0.101 CCCCC(C)OCC(=O)COC a96c59be4867ab33cdf32c36dc63e3a5 [0,1,0,0,0,0|3,0,0]=4 2039 B12R0.101 CCCCC(C)OCC(=O)NCC bd143ab9f6940de3231d57933e4c2176 [0,1,0,0,0,0|3,0,0]=4 2040 B12R0.101 CCCCC(C)OCC(=O)OCC 88d09e5d48ec2304220914552512da91 [0,1,0,0,0,0|3,0,0]=4 2041 B12R0.101 CCCCC(O)CNC(=O)CC#N 1fe6acd11bd1c211d039f53f2ed575a6 [0,1,0,0,0,0|2,0,1]=4 2042 B12R0.101 CCCCC(O)CNC(=O)CC=O 84f83ac1e8207eaa0b0182e0a1c8fc44 [0,1,0,0,0,0|2,0,1]=4 2043 B12R0.101 CCCCC(O)CNC(=O)CCC c20e00c1f46f1480bcaaae25aa1b5e2b [0,1,0,0,0,0|1,0,0]=2 2044 B12R0.101 CCCCC(O)CNC(=O)CCF 918d1c877afcc197669e2c70530ae5b3 [0,1,0,0,0,0|2,0,0]=3 2045 B12R0.101 CCCCC(O)CNC(=O)CCO 289b3c3072cb519f46f72acf626d8264 [0,1,0,0,0,0|2,0,0]=3 2046 B12R0.101 CCCCC(O)CNC(=O)CCS 1c84bdacbd46cf5d8a0b2cdd7219ef2f [0,1,0,0,0,0|2,0,0]=3 2047 B12R0.101 CCCCC(O)CNC(=O)COC 78409a4952b18f04f09014f83b7ec125 [0,1,0,0,0,0|2,0,0]=3 2048 B12R0.101 CCCCC(O)CNC(=O)CON e2b31dbc86afa88c28ffe3867da90bbc [0,1,0,0,0,0|3,0,0]=4 2049 B12R0.101 CCCCC(O)CNC(=O)CSC a2d700f02240c3e6c0944d8c048667ee [0,1,0,0,0,0|2,0,0]=3 2050 B12R0.101 CCCCC(O)CNC(C)CCC a5ec76bc92c5cd63067c95b5cba9335d [0,1,0,0,0,0|2,0,1]=4 2051 B12R0.101 CCCCN(C)CCC(=O)NCC a07cc1288ad35664f7973cbb9c83aef2 [0,1,0,0,0,0|3,0,0]=4 2052 B12R0.101 CCCCN(C)CCC(=O)OCC d11046c5fd50c7b17ee622a22cc7e617 [0,1,0,0,0,0|3,0,0]=4 2053 B12R0.101 CCCCN(C)COC(=O)CCC 0460f4ae494da9dca9fc21dc9436b249 [0,1,0,0,0,0|1,0,0]=2 2054 B12R0.101 CCCCN(C)COC(=O)OCC 032b94772da4d236da90e97d98e73938 [0,1,0,0,0,0|2,0,0]=3 2055 B12R0.101 CCCCN(C)COC(=O)SCC 35cbd3dc9eeb59ddbff491e4fcf92a5a [0,1,0,0,0,0|2,0,0]=3 2056 B12R0.101 CCCC[C@@H](C)NCC(=O)CCC 1ca8ec85f0a5e572a9e025767576808a [0,1,0,0,0,0|2,0,0]=3 2057 B12R0.101 CCCC[C@@H](C)NCC(=O)COC c08138e6f5ce67d56994f2b18ffa3aa0 [0,1,0,0,0,0|3,0,0]=4 2058 B12R0.101 CCCC[C@@H](C)NCC(=O)NCC 91fdcee8c7a432a1c847ce3899546fe8 [0,1,0,0,0,0|3,0,0]=4 2059 B12R0.101 CCCC[C@@H](C)NCC(=O)OCC 18c479395533d308ddd1815b7c3262db [0,1,0,0,0,0|3,0,0]=4 2060 B12R0.101 CCCC[C@@H](C)OCC(=O)CCC 1657e0e605daf680e2d860ccfccab07d [0,1,0,0,0,0|2,0,0]=3 2061 B12R0.101 CCCC[C@@H](C)OCC(=O)COC a236b4263eb86ebb2730bce8878b3d43 [0,1,0,0,0,0|3,0,0]=4 2062 B12R0.101 CCCC[C@@H](C)OCC(=O)NCC 7ad7e720407ed4a0a669984440023c19 [0,1,0,0,0,0|3,0,0]=4 2063 B12R0.101 CCCC[C@@H](C)OCC(=O)OCC f25b95625d8374ac06d4f2798e658eba [0,1,0,0,0,0|3,0,0]=4 2064 B12R0.101 CCCC[C@H](C)OCC(=O)CCC 43e31ff4a89156d5f12c5570c7cb7e5d [0,1,0,0,0,0|2,0,0]=3 2065 B12R0.101 CCCC[C@H](C)OCC(=O)COC dc200b8fcfe295999bc7b6e14b885c05 [0,1,0,0,0,0|3,0,0]=4 2066 B12R0.101 CCCC[C@H](C)OCC(=O)NCC 5a5bbddfc3fa14ca9a226c7204dccb73 [0,1,0,0,0,0|3,0,0]=4 2067 B12R0.101 CCCC[C@H](C)OCC(=O)OCC 244f173b700a3c32798f0355652dceda [0,1,0,0,0,0|3,0,0]=4 2068 B12R0.101 CCCNC(=O)CCC(=O)CCC d65621a6936762de8a28a9eec7be5e70 [0,1,0,0,0,0|2,0,1]=4 2069 B12R0.101 CCCNC(=O)CNC(=O)CCC 021814496d72275d588e50e63217b97f [0,1,0,0,0,0|2,0,1]=4 2070 B12R0.101 CCCNC(=O)COC(=S)CCC 31b052247216b61f69a6bafba0e3acfa [0,1,0,0,0,0|1,1,1]=4 2071 B12R0.101 CCCNC(C)CCC(=O)OCC a09f5e61e6971a10e64ce3cdd941f9eb [0,1,0,0,0,0|3,0,0]=4 2072 B12R0.101 CCCOC(=O)COC(=S)CCC 796854fda9933326f14f0d4cb2dba154 [0,1,0,0,0,0|1,1,1]=4 2073 B12R0.101 CCCOC(C)CCC(=O)OCC 80399dde3c447b1750f028ff1651a970 [0,1,0,0,0,0|3,0,0]=4 2074 B12R0.101 CCOC(=O)OCN(C)CCCO 906f665e32ee565c8f86b040a275c538 [0,1,0,0,0,0|3,0,0]=4 2075 B12R0.101 CCOC(=O)OCN(C)CCSC 5f9102e818894d31f62861636be3f25b [0,1,0,0,0,0|3,0,0]=4 2076 B12R0.101 CCOCC(O)CNC(=O)CCF c90a1f0162d68b11b4d43103a0e98e2e [0,1,0,0,0,0|3,0,0]=4 2077 B12R0.101 CCOCC(O)CNC(=O)CCO c46d7180b17bb6b293badc8a0838eb37 [0,1,0,0,0,0|3,0,0]=4 2078 B12R0.101 CCOCC(O)CNC(=O)CCS f99a9bddc869ac076f7b406a58b2d059 [0,1,0,0,0,0|3,0,0]=4 2079 B12R0.101 CCOCC(O)CNC(=O)COC e49ec8f3d0a13deeea405f9c63d9d137 [0,1,0,0,0,0|3,0,0]=4 2080 B12R0.101 CCOCC(O)CNC(=O)CSC 938b06d77c2601d4f2968340b6761af4 [0,1,0,0,0,0|3,0,0]=4 2081 B12R0.101 CCSC(=O)OCN(C)CCCO e68b0a45e29f6d80fb4af4126864dda0 [0,1,0,0,0,0|3,0,0]=4 2082 B12R0.101 CCSC(=O)OCN(C)CCOC 1cfde2f3aba1c56882fbf628da367436 [0,1,0,0,0,0|3,0,0]=4 2083 B12R0.101 CCSC(=O)OCN(C)CCSC 31eaa9944f243723f18cc01314255e65 [0,1,0,0,0,0|3,0,0]=4 2084 B12R0.101 COCC(=O)NC[C@H](C)CCCO e0df2cc08096050e31243735b7dae839 [0,1,0,0,0,0|3,0,0]=4 2085 B12R0.101 CSCC(=O)NC[C@H](C)CCCO 92938544ce7a1ad46b6afcbf37f4f1e6 [0,1,0,0,0,0|3,0,0]=4 2086 B12R0.101 C[C@H](CCCO)CNC(=O)CCF 4396e18e665dcae66e188c1e4bdad1ad [0,1,0,0,0,0|3,0,0]=4 2087 B12R0.101 C[C@H](CCCO)CNC(=O)CCO 6a8f558e7fdaae731ce030571712f337 [0,1,0,0,0,0|3,0,0]=4 2088 B12R0.101 C[C@H](CCCO)CNC(=O)CCS 050f6d42fdd167e0b7a96e3b72faf292 [0,1,0,0,0,0|3,0,0]=4 2089 B12R0.114 C#CCC(=O)N(C)CCCCCC 226f90a64951cb878e15f460c270624a [0,1,0,0,0,0|1,0,2]=4 2090 B12R0.114 C/C=C/C(=O)N(C)CCCCCC c24fab26f1cb84dff3994b4ffa22d4de [0,1,0,0,0,0|1,0,2]=4 2091 B12R0.114 C=C(CCC)C(=O)NCCCCC 12f5f55db48ecee7d07cd9633e41e55d [0,1,0,0,0,0|3,0,0]=4 2092 B12R0.114 C=C(CNCCCC)C(=O)OCC bdb096c05c192c479a6f0e91d44ac1b4 [0,1,0,0,0,0|3,0,0]=4 2093 B12R0.114 C=C(COCCCC)C(=O)OCC 464e16d0f0761f971393a938ebec897e [0,1,0,0,0,0|3,0,0]=4 2094 B12R0.114 C=CCC(=O)N(C)CCCCCC 76040d8b8a23923e221e9602520a0f96 [0,1,0,0,0,0|1,0,2]=4 2095 B12R0.114 C=CCCCCN(C)C(=O)CCC a1fba782a12a5da6ea1f607615b13154 [0,1,0,0,0,0|1,0,2]=4 2096 B12R0.114 CC#CC(=O)N(C)CCCCCC 2b1d1aa9a4f9cae41abf230727fe70ae [0,1,0,0,0,0|1,0,2]=4 2097 B12R0.114 CCCC(=O)C(=O)NCCCCCl 32bd68b786138943602fe3840e129b49 [0,1,0,0,0,0|3,0,0]=4 2098 B12R0.114 CCCC(=O)C(=O)NCCCCO f940ff7b84a23985260db26f5781609b [0,1,0,0,0,0|3,0,0]=4 2099 B12R0.114 CCCC(=O)C(=O)NCCCCS 025fa1542726997d83d6c2359cab73b4 [0,1,0,0,0,0|3,0,0]=4 2100 B12R0.114 CCCC(=O)C(=O)NCCCOC 3b38ebf4f2b5b09bb01c15668c6478fb [0,1,0,0,0,0|3,0,0]=4 2101 B12R0.114 CCCC(=O)C(=O)NCCCSC 61ebf1beadcf29290a7cc3604063dacb [0,1,0,0,0,0|3,0,0]=4 2102 B12R0.114 CCCC(=O)C(=O)NCCOCC 7b413ddf4264e4d201a7df3dfc452478 [0,1,0,0,0,0|3,0,0]=4 2103 B12R0.114 CCCC(=O)C(=O)NCCSCC 4091031b0a8f8bc7b7dc0028d0192e39 [0,1,0,0,0,0|3,0,0]=4 2104 B12R0.114 CCCC(=O)N(C)CCCCCO 1e8b032ea5a1b5f32beb4cd920ab1609 [0,1,0,0,0,0|2,0,0]=3 2105 B12R0.114 CCCC(=O)N(C)CCCCOC 8d69d8a4c90588db5230932f075aea9b [0,1,0,0,0,0|2,0,0]=3 2106 B12R0.114 CCCC(=O)N(C)CCOCCO 675caead86be32c02691b4a0b0161924 [0,1,0,0,0,0|3,0,0]=4 2107 B12R0.114 CCCCCCC(=O)N(C)CCC 82cc5c9eb8a9cae40afed1798a78601a [0,1,0,0,0,0|3,0,0]=4 2108 B12R0.114 CCCCCCC(C)N(C)CCC 413432460e00033c518c32df734c45f1 [0,1,0,0,0,0|3,0,0]=4 2109 B12R0.114 CCCCCCN(C)C(=O)CC#N db82b78df146aa70d7b86dfa923c186c [0,1,0,0,0,0|2,0,1]=4 2110 B12R0.114 CCCCCCN(C)C(=O)CC=O 7dc92436a77eeeacf04e5189b22e6c88 [0,1,0,0,0,0|2,0,1]=4 2111 B12R0.114 CCCCCCN(C)C(=O)CCC 82617a20b6b1ff5cb831b764a82a5141 [0,1,0,0,0,0|1,0,0]=2 2112 B12R0.114 CCCCCCN(C)C(=O)CCF 568d3d8fd1a2dec8e3922089bbc9a16c [0,1,0,0,0,0|2,0,0]=3 2113 B12R0.114 CCCCCCN(C)C(=O)CCO 36ac09b199806bdf4116bcfce67d0622 [0,1,0,0,0,0|2,0,0]=3 2114 B12R0.114 CCCCCCN(C)C(=O)CCS aa18470658bd0f7d27b7bcc623e0fc13 [0,1,0,0,0,0|2,0,0]=3 2115 B12R0.114 CCCCCCN(C)C(=O)COC ebead606626c9ca5edbc8a39612582f1 [0,1,0,0,0,0|2,0,0]=3 2116 B12R0.114 CCCCCCN(C)C(=O)CON 1c7cfc4eaa71671169cb245d989cd9dd [0,1,0,0,0,0|3,0,0]=4 2117 B12R0.114 CCCCCCN(C)C(=O)CSC da63bd4f3f8081d4ccbbe1572e477563 [0,1,0,0,0,0|2,0,0]=3 2118 B12R0.114 CCCCCCN(C)C(C)CCC 03c57ac2da8203fdea1396ba2d4c2eba [0,1,0,0,0,0|2,0,1]=4 2119 B12R0.114 CCCCCNC(=O)C(=O)CCC 48952cafc2751de5911915e179bcaa20 [0,1,0,0,0,0|2,0,0]=3 2120 B12R0.114 CCCCCNC(=O)C(=O)NCC e6c6af9723e371f661c0dd91073a5a7b [0,1,0,0,0,0|3,0,0]=4 2121 B12R0.114 CCCCCNC(=O)C(=O)OCC e6aaafe64f009d3f596470e19f26b2ea [0,1,0,0,0,0|3,0,0]=4 2122 B12R0.114 CCCCCNC(C)C(=O)NCC be3bf4629c21e253efca5b1114d2d4be [0,1,0,0,0,0|3,0,0]=4 2123 B12R0.114 CCCCCNC(C)C(=O)OCC 3785fce7315e414e506f5130ebb67d62 [0,1,0,0,0,0|3,0,0]=4 2124 B12R0.114 CCCCCNC(F)C(=O)OCC b8e80adf1073243fe1f734942a333ca7 [0,1,0,0,0,0|3,0,0]=4 2125 B12R0.114 CCCCCN[C@@H](C)C(=O)NCC af787f413b0bb327023340c900d8526b [0,1,0,0,0,0|3,0,0]=4 2126 B12R0.114 CCCCCN[C@@H](C)C(=O)OCC c7f4e55084570aa1cce809b77bce8036 [0,1,0,0,0,0|3,0,0]=4 2127 B12R0.114 CCCCCN[C@H](C)C(=O)OCC a24059cb9add842fca80ae9f6810660c [0,1,0,0,0,0|3,0,0]=4 2128 B12R0.114 CCCCCOC(C)C(=O)NCC 3fa26f00a82e792ab9094d1e6878dc73 [0,1,0,0,0,0|3,0,0]=4 2129 B12R0.114 CCCCCOC(C)C(=O)OCC 335e8c9b53551502c13a5fe3deb700c4 [0,1,0,0,0,0|3,0,0]=4 2130 B12R0.114 CCCCCOC(F)C(=O)OCC 65558d7815ff39c2a1969271c6caec47 [0,1,0,0,0,0|3,0,0]=4 2131 B12R0.114 CCCCCO[C@@H](C)C(=O)OCC 9ece7363f599744d22835632a63d883e [0,1,0,0,0,0|3,0,0]=4 2132 B12R0.114 CCCCCO[C@H](C)C(=O)OCC 9d0260df56d078deec2beb0d353e8ed3 [0,1,0,0,0,0|3,0,0]=4 2133 B12R0.114 CCCCNCC(C)C(=O)OCC 80cb13a18752455935c9666635bc1e40 [0,1,0,0,0,0|3,0,0]=4 2134 B12R0.114 CCCCNCC(O)C(=O)OCC efb8efbe01b0264539322da855e13088 [0,1,0,0,0,0|3,0,0]=4 2135 B12R0.114 CCCCOCC(C)C(=O)OCC a345568f72f5364a68bdd986222b4cfc [0,1,0,0,0,0|3,0,0]=4 2136 B12R0.114 CN(CCCCCO)C(=O)CCF 6677fda6d9871b03b64604072841a173 [0,1,0,0,0,0|3,0,0]=4 2137 B12R0.114 CN(CCCCCO)C(=O)CCO 3407337676f2ef96cc782f4c3fbaf7b0 [0,1,0,0,0,0|3,0,0]=4 2138 B12R0.114 CN(CCCCCO)C(=O)CCS 5c300c45cc5720aeab111fed39a2cd92 [0,1,0,0,0,0|3,0,0]=4 2139 B12R0.114 COCC(=O)N(C)CCCCCO df3cb11d80aa73b82d42d387c66b92c7 [0,1,0,0,0,0|3,0,0]=4 2140 B12R0.114 COCCCCN(C)C(=O)CCF 1a64492a080e80589bbde24b85cd9a7d [0,1,0,0,0,0|3,0,0]=4 2141 B12R0.114 COCCCCN(C)C(=O)CCO 40135379dfdf496a64c312a88343fd36 [0,1,0,0,0,0|3,0,0]=4 2142 B12R0.114 COCCCCN(C)C(=O)CCS 1e446542d0dbca4b55ac340406de8f95 [0,1,0,0,0,0|3,0,0]=4 2143 B12R0.114 COCCCCN(C)C(=O)COC 34d7f5dbb735bcd095ba4355f68d30c9 [0,1,0,0,0,0|3,0,0]=4 2144 B12R0.114 COCCCCN(C)C(=O)CSC cd2c1f23007d4f2f0206355ff96bd744 [0,1,0,0,0,0|3,0,0]=4 2145 B12R0.114 CSCC(=O)N(C)CCCCCO 53592e9f3873d14cb861592e47bbf3a4 [0,1,0,0,0,0|3,0,0]=4 2146 B12R0.121 C#CC(CCC)OCCCCCC 3901f406578def9d4fa6e247282d1537 [0,1,0,0,0,0|1,0,1]=3 2147 B12R0.121 C#CC(CCC)OCCCCCF 283dbf9a8c755242ea8c0ad46873f4aa [0,1,0,0,0,0|2,0,1]=4 2148 B12R0.121 C#CC(CCC)OCCCCOC 74f4d9bd5b17148e9cb7090c61ba4be9 [0,1,0,0,0,0|2,0,1]=4 2149 B12R0.121 C#CC(CCC)OCCCOCC 573dc86d78cc74ce5db501b5c9309a2a [0,1,0,0,0,0|2,0,1]=4 2150 B12R0.121 C#CC(CCC)OCCCSCC 610f87def19ebb468d177a193bc3abdf [0,1,0,0,0,0|2,0,1]=4 2151 B12R0.121 C#CC(CCC)OCCOCCC 79c03b2ca33187432369f3aecb31964c [0,1,0,0,0,0|2,0,1]=4 2152 B12R0.121 C#CC(CCC)OCOCCCC 24b40dcdda70cf3c0762299939d23e6b [0,1,0,0,0,0|2,0,1]=4 2153 B12R0.121 C=CC(CCC)OCCCCCC c4056d838795fc9cb675427e6bb2ba31 [0,1,0,0,0,0|1,0,1]=3 2154 B12R0.121 C=CC(CCC)OCCCCCF b21971ec91e651e3edb1b96d18fb201c [0,1,0,0,0,0|2,0,1]=4 2155 B12R0.121 C=CC(CCC)OCCCCOC aa6900323a0e332da5836ff79a98518e [0,1,0,0,0,0|2,0,1]=4 2156 B12R0.121 C=CC(CCC)OCCCOCC 8616d36ae258387e1d72f041b6f310be [0,1,0,0,0,0|2,0,1]=4 2157 B12R0.121 C=CC(CCC)OCCCSCC a6f249188a3d49819e061883566915dd [0,1,0,0,0,0|2,0,1]=4 2158 B12R0.121 C=CC(CCC)OCCOCCC bfa1009d5792fe0e7d935d8d125acf9d [0,1,0,0,0,0|2,0,1]=4 2159 B12R0.121 C=CC(CCC)OCOCCCC 19d97246a4f48f19416ce9a717a55efc [0,1,0,0,0,0|2,0,1]=4 2160 B12R0.121 CCCC(C#N)OCCCCCF 2ac52d19f59b1a7e900e9c48851374e7 [0,1,0,0,0,0|2,0,1]=4 2161 B12R0.121 CCCC(C#N)OCCCCOC d8acd97717523b5728401a69bd1730cc [0,1,0,0,0,0|2,0,1]=4 2162 B12R0.121 CCCC(C#N)OCCCOCC a041f578aa9549595b6d35e46709505a [0,1,0,0,0,0|2,0,1]=4 2163 B12R0.121 CCCC(C#N)OCCCSCC da6f9e6ae2899b52a53f242cc4838939 [0,1,0,0,0,0|2,0,1]=4 2164 B12R0.121 CCCC(CC)OCCCCCF 4b0a9f46dfd626b543d0e88877b668bb [0,1,0,0,0,0|2,0,1]=4 2165 B12R0.121 CCCC(CC)OCCCCOC bf92572cc439d1291cad8843cde709a0 [0,1,0,0,0,0|2,0,1]=4 2166 B12R0.121 CCCC(CC)OCCCCSC d05799c9b1f090187670c72194b71b63 [0,1,0,0,0,0|2,0,1]=4 2167 B12R0.121 CCCC(CC)OCCCOCC ae7a93badfa44bfa1f2fb077bb71374b [0,1,0,0,0,0|2,0,1]=4 2168 B12R0.121 CCCC(CC)OCCCSCC b4c56a1949e8d0c14fcc271fab72905f [0,1,0,0,0,0|2,0,1]=4 2169 B12R0.121 CCCCCCCN(CC)CCC b6c0c04066e6286e51b217848c722d2c [0,1,0,0,0,0|3,0,0]=4 2170 B12R0.121 CCCCCCNC(CC)CCC a325513a5b6ff8c28638741ace2292ba [0,1,0,0,0,0|2,0,1]=4 2171 B12R0.121 CCCCCCNC(CO)CCC d4ddf709aada7d1c08300d294baf0afc [0,1,0,0,0,0|1,0,2]=4 2172 B12R0.121 CCCCCCN[C@@H](CO)CCC 445404a6e6777c3d51177460d9d232b3 [0,1,0,0,0,0|1,0,2]=4 2173 B12R0.121 CCCCCCN[C@H](CO)CCC 26fe67630654fb3195f6f7f44160d7fe [0,1,0,0,0,0|1,0,2]=4 2174 B12R0.121 CCCCCCOC(C#N)CCC 22423c3981db6c84bf7346e2f060d452 [0,1,0,0,0,0|1,0,1]=3 2175 B12R0.121 CCCCCCOC(CBr)CCBr ba1fc9250200bb0894b939869b9eefeb [0,1,0,0,0,0|2,0,1]=4 2176 B12R0.121 CCCCCCOC(CC)CCC 2ed1915b87372083a7b3a4f209decf64 [0,1,0,0,0,0|1,0,1]=3 2177 B12R0.121 CCCCCCOC(CC)COC 467b27d099486d4f5d6ba969018086a3 [0,1,0,0,0,0|2,0,1]=4 2178 B12R0.121 CCCCCCOC(CC)CSC 7a4499a79eb7d9a46951ad1ae706849d [0,1,0,0,0,0|2,0,1]=4 2179 B12R0.121 CCCCCCOC(CCl)CCCl 3099e8f73ab6b31a564ed992f8d340ab [0,1,0,0,0,0|2,0,1]=4 2180 B12R0.121 CCCCCCO[C@@H](CO)CCO d346a30d4cda6fa8500d142aae30c4f1 [0,1,0,0,0,0|1,0,2]=4 2181 B12R0.121 CCCCCCO[C@H](CC)CCC fc1aa1aa384d79e1318dfffa16d60e85 [0,1,0,0,0,0|1,0,1]=3 2182 B12R0.121 CCCCOCOC(C#N)CCC b8aea6834cf836a694f55b312bb2b388 [0,1,0,0,0,0|2,0,1]=4 2183 B12R0.121 CCCCOCOC(CC)CCC faf6e3383d6c6d2262e6cc1cd3b6e87c [0,1,0,0,0,0|2,0,1]=4 2184 B12R0.121 CCCCOCO[C@H](CC)CCC 67d0230b195a93a9f401916918672a8c [0,1,0,0,0,0|2,0,1]=4 2185 B12R0.121 CCCOCCOC(C#N)CCC f2042af31b4f107f3ea6ecaf5b0eaa0a [0,1,0,0,0,0|2,0,1]=4 2186 B12R0.121 CCCOCCOC(CC)CCC acd90a21d8fd7ca0da96fc6c0915d035 [0,1,0,0,0,0|2,0,1]=4 2187 B12R0.121 CCCOCCO[C@H](CC)CCC 17a2bcd5272cccc3e7e9ed1543831c6c [0,1,0,0,0,0|2,0,1]=4 2188 B12R0.121 CCCSCCOC(CC)CCC 09f7f7650d5711212aaed61927fedc86 [0,1,0,0,0,0|2,0,1]=4 2189 B12R0.121 CCC[C@@H](CC)OCCCCCF a16b0794884f2ab33a25029dd092ed8c [0,1,0,0,0,0|2,0,1]=4 2190 B12R0.121 CCC[C@@H](CC)OCCCCOC d1ee10dd8c702245daa4f6d401640a99 [0,1,0,0,0,0|2,0,1]=4 2191 B12R0.121 CCC[C@@H](CC)OCCCOCC 25b02ea2817400d6d42e03b992479108 [0,1,0,0,0,0|2,0,1]=4 2192 B12R0.121 CCC[C@@H](CC)OCCCSCC 96bf8e22e48bca9f65e9e3409706faeb [0,1,0,0,0,0|2,0,1]=4 2193 B12R0.206 C#CCCC(=O)CCOCCCC 499d411553419b052d355d65fa89e035 [0,1,0,0,0,0|2,0,1]=4 2194 B12R0.206 C#CCCC(=O)NCCCCCC c25f02fbf73d626b149a3923ecf8a85e [0,1,0,0,0,0|1,0,1]=3 2195 B12R0.206 C#CCCC(=O)NCCCCCCl 70ccfb6fa3e46d983838ba0490369725 [0,1,0,0,0,0|2,0,1]=4 2196 B12R0.206 C#CCCC(=O)NCCCCCO ed85ac21aad50ca06f8ea148f2ae2f09 [0,1,0,0,0,0|2,0,1]=4 2197 B12R0.206 C#CCCC(=O)NCCCCOC 1f30035c5cc90b3925a988ab4d666478 [0,1,0,0,0,0|2,0,1]=4 2198 B12R0.206 C#CCCC(=O)NCCCCSC ec0684140bfc7794d0d48ef3f76b3017 [0,1,0,0,0,0|2,0,1]=4 2199 B12R0.206 C#CCCC(=O)NCCCOCC 877fab5cdbfb14a3bb828a152dcb2c44 [0,1,0,0,0,0|2,0,1]=4 2200 B12R0.206 C#CCCC(=O)NCCNCCC a09ecdfb7de724ed64dc3a0898394f99 [0,1,0,0,0,0|2,0,1]=4 2201 B12R0.206 C#CCCC(=O)NCCOCCC fb1cfc7bcb8ba34d9c60455882ae8224 [0,1,0,0,0,0|2,0,1]=4 2202 B12R0.206 C#CCCCCCC(=O)NCCC 01bf69a4fa4c4f5284ad335d1426172b [0,1,0,0,0,0|1,0,2]=4 2203 B12R0.206 C#CCCCCNC(=O)CCCC db132b322557b46407370753bebf96c9 [0,1,0,0,0,0|1,0,2]=4 2204 B12R0.206 C#CCCCCNC(=O)CCCF 151543bb3d22ba4175eb772dbfe812da [0,1,0,0,0,0|1,0,2]=4 2205 B12R0.206 C#CCCCCNC(=O)CCCS 0be3c2d40a5203d882e7b424c2f7afb6 [0,1,0,0,0,0|1,0,2]=4 2206 B12R0.206 C#CCCCCNC(=O)CCOC 0a76c43af7346ccac8090ea20481fcd5 [0,1,0,0,0,0|1,0,2]=4 2207 B12R0.206 C#CCCCCNC(=O)CCSC 25f7e942dc02a28c4480191000e1e3eb [0,1,0,0,0,0|1,0,2]=4 2208 B12R0.206 C#CCCCCNC(=O)COCC 9d3907c521c39ebc39f22293271bc4ce [0,1,0,0,0,0|1,0,2]=4 2209 B12R0.206 C#CCCCCNC(=O)CSCC 5c4b0fad44f86d32721940a79d77fe4c [0,1,0,0,0,0|1,0,2]=4 2210 B12R0.206 C#CCCCCNC(=O)NCCC 0803fea9f4ae41abd94479a91cccbfbb [0,1,0,0,0,0|1,0,2]=4 2211 B12R0.206 C#CCCNCOC(=O)CCCC 2fdf560c99c549e5d216714b82775010 [0,1,0,0,0,0|1,0,2]=4 2212 B12R0.206 C#CCCNCOC(=O)OCCC 318350ace6d7688bc5726ca8604b4f7d [0,1,0,0,0,0|1,0,2]=4 2213 B12R0.206 C#CCCOCOC(=O)CCCC 0fe9a50e8d177b1ea3c9b065d483f05d [0,1,0,0,0,0|1,0,2]=4 2214 B12R0.206 C#CCCOCOC(=O)OCCC a37e374f6ae9f7769aee60200e55541e [0,1,0,0,0,0|1,0,2]=4 2215 B12R0.206 C#CCNC(=O)CCCCCCC e02c91407f3738fdeccf2023e7f98b01 [0,1,0,0,0,0|1,0,2]=4 2216 B12R0.206 C#CCNC(=O)NCCCCCC 40cb6b26062e7bb3aac15e6706b70602 [0,1,0,0,0,0|1,0,2]=4 2217 B12R0.206 C/C=C/CC(=O)NCCCCCC bde448a86bde6ddb2d7b353249e71a1d [0,1,0,0,0,0|1,0,1]=3 2218 B12R0.206 C/C=C/CC(=O)NCCCCCCl 8080062013d122064ea92811b7976ce0 [0,1,0,0,0,0|2,0,1]=4 2219 B12R0.206 C/C=C/CC(=O)NCCCCCO 0559313d3d1800d293f14c500b5660ae [0,1,0,0,0,0|2,0,1]=4 2220 B12R0.206 C/C=C/CC(=O)NCCCCOC 89a948f878072f139144bc942e1328a7 [0,1,0,0,0,0|2,0,1]=4 2221 B12R0.206 C/C=C/CC(=O)NCCCCSC 1a989b6f7dc69e22dc074aa01f38985b [0,1,0,0,0,0|2,0,1]=4 2222 B12R0.206 C/C=C/CC(=O)NCCCOCC 2800b634f7870c12c4b90ef3fea0c92b [0,1,0,0,0,0|2,0,1]=4 2223 B12R0.206 C/C=C/CC(=O)NCCOCCC 2f869decbd6d357be588973eaf7af4b3 [0,1,0,0,0,0|2,0,1]=4 2224 B12R0.206 C/C=C/COCOC(=O)CCCC d4041b9d4d7a72bae843be4c9919916d [0,1,0,0,0,0|1,0,2]=4 2225 B12R0.206 C/C=C/COCOC(=O)OCCC 93ae5696d43baa24e28e2d5ee07a8532 [0,1,0,0,0,0|1,0,2]=4 2226 B12R0.206 C/C=C\COCOC(=O)CCCC ce94c554d58b61f248a031f235ebd0c8 [0,1,0,0,0,0|1,0,2]=4 2227 B12R0.206 C/C=C\COCOC(=O)OCCC ae467fad0e8acd69276c93c11b93d991 [0,1,0,0,0,0|1,0,2]=4 2228 B12R0.206 C=CCCC(=O)NCCCCCC 8406191e4b9ad7d977a55624246c6d5d [0,1,0,0,0,0|1,0,1]=3 2229 B12R0.206 C=CCCC(=O)NCCCCCCl 887c5bafbdd4ba409650183b3558af65 [0,1,0,0,0,0|2,0,1]=4 2230 B12R0.206 C=CCCC(=O)NCCCCCO 8fe0c435993e0d2865ea9ae145dd15d6 [0,1,0,0,0,0|2,0,1]=4 2231 B12R0.206 C=CCCC(=O)NCCCCOC f8f6011eabc4d926b63339915545ce76 [0,1,0,0,0,0|2,0,1]=4 2232 B12R0.206 C=CCCC(=O)NCCCCSC 266c6aa7a07256e51b22e0233dfdef02 [0,1,0,0,0,0|2,0,1]=4 2233 B12R0.206 C=CCCC(=O)NCCCOCC 5b9443eed9ace1daebc3d00dc8e3b5ff [0,1,0,0,0,0|2,0,1]=4 2234 B12R0.206 C=CCCC(=O)NCCOCCC 705664abbf1564ed7d3b282a6174169f [0,1,0,0,0,0|2,0,1]=4 2235 B12R0.206 C=CCCC(C)OCCCCCC a07a85d0df9a2dfe098ac73b6615c606 [0,1,0,0,0,0|1,0,2]=4 2236 B12R0.206 C=CCCCCCC(=O)NCCC e359ca5b652420d1420c84090e381385 [0,1,0,0,0,0|1,0,2]=4 2237 B12R0.206 C=CCCCCNC(=O)CCCC 2cbe5fcec8c623502cf57bad7080bed0 [0,1,0,0,0,0|1,0,2]=4 2238 B12R0.206 C=CCCCCNC(=O)CCCF e67415fb9b9f646e7c9a7c813b656c56 [0,1,0,0,0,0|1,0,2]=4 2239 B12R0.206 C=CCCCCNC(=O)CCCS b819fb8b2f777b95eef6f1c76e967fc7 [0,1,0,0,0,0|1,0,2]=4 2240 B12R0.206 C=CCCCCNC(=O)CCOC c57590b9092e914b5cf5179dbb89d793 [0,1,0,0,0,0|1,0,2]=4 2241 B12R0.206 C=CCCCCNC(=O)CCSC 85d8bcc457e3a9bd6126c8d822dd9056 [0,1,0,0,0,0|1,0,2]=4 2242 B12R0.206 C=CCCCCNC(=O)COCC 60f07fcea29f75c3f80b2847c8f62be0 [0,1,0,0,0,0|1,0,2]=4 2243 B12R0.206 C=CCCCCNC(=O)CSCC 98de834fe52acc3a68318088d4cf4089 [0,1,0,0,0,0|1,0,2]=4 2244 B12R0.206 C=CCCCCNC(=O)NCCC 8f0262e938e23fbe7c7e2bd07480e1df [0,1,0,0,0,0|1,0,2]=4 2245 B12R0.206 C=CCCNCOC(=O)CCCC d8560d86695ba6273146c9c256702ecb [0,1,0,0,0,0|1,0,2]=4 2246 B12R0.206 C=CCCNCOC(=O)OCCC e011545c7402f7ecf27fe3d09b47ebea [0,1,0,0,0,0|1,0,2]=4 2247 B12R0.206 C=CCCOCOC(=O)CCCC b588515a83537c16b7e9e5ddd91b8095 [0,1,0,0,0,0|1,0,2]=4 2248 B12R0.206 C=CCCOCOC(=O)OCCC 2e6072fd7d8c11668b4e307045eebb15 [0,1,0,0,0,0|1,0,2]=4 2249 B12R0.206 C=CCC[C@@H](C)OCCCCCC 4f56421297f65e75bbb31bd8dd4abc38 [0,1,0,0,0,0|1,0,2]=4 2250 B12R0.206 CC#CCC(=O)NCCCCCC 7b301376d0820256756d7f78635f0747 [0,1,0,0,0,0|1,0,1]=3 2251 B12R0.206 CC#CCC(=O)NCCCCCCl 04387175baf6d06f1a0b46c364c4171a [0,1,0,0,0,0|2,0,1]=4 2252 B12R0.206 CC#CCC(=O)NCCCCCO 89196ffd6851f9ea8fe74637b66789a9 [0,1,0,0,0,0|2,0,1]=4 2253 B12R0.206 CC#CCC(=O)NCCCCOC fd80850a0f47bb598227c7b6122da356 [0,1,0,0,0,0|2,0,1]=4 2254 B12R0.206 CC#CCC(=O)NCCCCSC 6130a94550c79a2775f43aa4e814dc9b [0,1,0,0,0,0|2,0,1]=4 2255 B12R0.206 CC#CCC(=O)NCCCOCC ef6a9276067f8420103f16f2291f5764 [0,1,0,0,0,0|2,0,1]=4 2256 B12R0.206 CC#CCC(=O)NCCOCCC d101af2f0d96f799e6322f5691d60f2a [0,1,0,0,0,0|2,0,1]=4 2257 B12R0.206 CC#CCNCOC(=O)CCCC e25cd19a548d6e4a40ab14f30bc13113 [0,1,0,0,0,0|1,0,2]=4 2258 B12R0.206 CC#CCNCOC(=O)OCCC 485c4ea40c0c0f302792f08d169d4d7c [0,1,0,0,0,0|1,0,2]=4 2259 B12R0.206 CC#CCOCOC(=O)CCCC 02c009d1e0022a341a18149c807237cd [0,1,0,0,0,0|1,0,2]=4 2260 B12R0.206 CC#CCOCOC(=O)OCCC 53b58a8e5ad21b7f819a47cac66ff99c [0,1,0,0,0,0|1,0,2]=4 2261 B12R0.206 CC/C=C/C(=O)NCCCCCC 0ae15ea0c3e1227f52271a15cb9574cb [0,1,0,0,0,0|1,0,1]=3 2262 B12R0.206 CC/C=C/C(=O)NCCCCCCl 1cba487f460b09f1117d282504a3f081 [0,1,0,0,0,0|2,0,1]=4 2263 B12R0.206 CC/C=C/C(=O)NCCCCCO b86e40289aadda76aa3cbe3c0857311a [0,1,0,0,0,0|2,0,1]=4 2264 B12R0.206 CC/C=C/C(=O)NCCCCOC 5c5a3b1455cc5b829b8bf19c7dbc5493 [0,1,0,0,0,0|2,0,1]=4 2265 B12R0.206 CC/C=C/C(=O)NCCCCSC c1d7e06e841647504ae4a9ff573003c9 [0,1,0,0,0,0|2,0,1]=4 2266 B12R0.206 CC/C=C/C(=O)NCCCOCC b111194ca0ab4d8c523569b9281861bc [0,1,0,0,0,0|2,0,1]=4 2267 B12R0.206 CC/C=C/C(=O)NCCOCCC 478f48dcb3fd780550ceb865b553162e [0,1,0,0,0,0|2,0,1]=4 2268 B12R0.206 CC/C=C\C(=O)NCCCCCC 8353d9dd77ca4f6ada77e5a2bc3fdb7a [0,1,0,0,0,0|1,0,1]=3 2269 B12R0.206 CC/C=C\C(=O)NCCCCCCl 44da58920145d6e00cd9929feb8461d3 [0,1,0,0,0,0|2,0,1]=4 2270 B12R0.206 CC/C=C\C(=O)NCCCCCO 39169b8c7eb3c2f4295438dc946c7e27 [0,1,0,0,0,0|2,0,1]=4 2271 B12R0.206 CC/C=C\C(=O)NCCCCOC 9b5e239d8ecbc141a3cc94bd180cd0ef [0,1,0,0,0,0|2,0,1]=4 2272 B12R0.206 CC/C=C\C(=O)NCCCCSC 09c86987b305c9c4d560bb9371df6e9a [0,1,0,0,0,0|2,0,1]=4 2273 B12R0.206 CC/C=C\C(=O)NCCCOCC 9bf000f91e72a72a1ddb40833d3bfc11 [0,1,0,0,0,0|2,0,1]=4 2274 B12R0.206 CC/C=C\C(=O)NCCOCCC 2c1aa52933a35b8ff43b1a02c5396350 [0,1,0,0,0,0|2,0,1]=4 2275 B12R0.206 CC=CCNCOC(=O)CCCC bb910e3b8eef0aa73be2872b396b0fcb [0,1,0,0,0,0|1,0,2]=4 2276 B12R0.206 CC=CCNCOC(=O)OCCC df63a5b0f0e125bb5788e8aa1d9e9991 [0,1,0,0,0,0|1,0,2]=4 2277 B12R0.206 CC=CCOCOC(=O)CCCC 2b9b4b0b4efb69d06c4587a4c54cfd46 [0,1,0,0,0,0|1,0,2]=4 2278 B12R0.206 CC=CCOCOC(=O)OCCC 2865c6e6422b8db3097a0a67397799c2 [0,1,0,0,0,0|1,0,2]=4 2279 B12R0.206 CCC#CC(=O)NCCCCCC ada9c64f0bee8fac9284992c4fe286c4 [0,1,0,0,0,0|1,0,1]=3 2280 B12R0.206 CCC#CC(=O)NCCCCCCl e47642ca48a0e364c21f54bfd8f5d90d [0,1,0,0,0,0|2,0,1]=4 2281 B12R0.206 CCC#CC(=O)NCCCCCO 984217d04c045907f271c83629f51094 [0,1,0,0,0,0|2,0,1]=4 2282 B12R0.206 CCC#CC(=O)NCCCCOC 5d16c62a9b96557cda01ab85fca10e53 [0,1,0,0,0,0|2,0,1]=4 2283 B12R0.206 CCC#CC(=O)NCCCCSC ffbcdc2fc825e02c4562295585bd1167 [0,1,0,0,0,0|2,0,1]=4 2284 B12R0.206 CCC#CC(=O)NCCCOCC 5e1b7640b78e11f79bd36a00250cb23e [0,1,0,0,0,0|2,0,1]=4 2285 B12R0.206 CCC#CC(=O)NCCOCCC 6c1a30fbadf6a3952d2eb714462b1424 [0,1,0,0,0,0|2,0,1]=4 2286 B12R0.206 CCC#CC(C)OCCCCCC 99cb8a5cbf4e3668f2c761e8ffe9efba [0,1,0,0,0,0|1,0,2]=4 2287 B12R0.206 CCC/C=C/CCC(=O)NCCC 17e3c7580280fb58ca270138a5bcee72 [0,1,0,0,0,0|1,0,2]=4 2288 B12R0.206 CCC/C=C\CCC(=O)NCCC 57c13cab41f080ae0ca043de717f3601 [0,1,0,0,0,0|1,0,2]=4 2289 B12R0.206 CCC=CC(=O)NCCCCCC 13ff3a32fc5dcac22caca9b21b4d62d5 [0,1,0,0,0,0|1,0,1]=3 2290 B12R0.206 CCC=CC(=O)NCCCCCCl 63eac8337644e0aa55edf8882c0d16ea [0,1,0,0,0,0|2,0,1]=4 2291 B12R0.206 CCC=CC(=O)NCCCCCO 664eb37c530fca1a64092d1a39d64956 [0,1,0,0,0,0|2,0,1]=4 2292 B12R0.206 CCC=CC(=O)NCCCCOC fa7533635f0c2b2c12d32f0aee334d29 [0,1,0,0,0,0|2,0,1]=4 2293 B12R0.206 CCC=CC(=O)NCCCCSC 0d2772c21c3f48f5e78488a276ef8c5a [0,1,0,0,0,0|2,0,1]=4 2294 B12R0.206 CCC=CC(=O)NCCCOCC b46924b039266f54dd429efa0fcae4e9 [0,1,0,0,0,0|2,0,1]=4 2295 B12R0.206 CCC=CC(=O)NCCOCCC 7ce0e4ce6704995bd86dd7ab2a7c4fc7 [0,1,0,0,0,0|2,0,1]=4 2296 B12R0.206 CCCC/C=C/CC(=O)NCCC 7add7e2ffa91e9c8710b926d01cbc72c [0,1,0,0,0,0|1,0,2]=4 2297 B12R0.206 CCCCC#CCC(=O)NCCC 973a8b2e756c94f6536d9d6a04e20eab [0,1,0,0,0,0|1,0,2]=4 2298 B12R0.206 CCCCC(=O)NCCCCC#N 8a8c03388dfedfe37d1b0b58c712e9cd [0,1,0,0,0,0|2,0,1]=4 2299 B12R0.206 CCCCC(=O)NCCCCCCl dcdbba3f08bf0589d9296e6e29d70622 [0,1,0,0,0,0|2,0,0]=3 2300 B12R0.206 CCCCC(=O)NCCCCCO 708187ab56d55406ad6cd96937fc37bb [0,1,0,0,0,0|2,0,0]=3 2301 B12R0.206 CCCCC(=O)NCCCCOC c4313a1c3e6c2aebdb57cb893af968e7 [0,1,0,0,0,0|2,0,0]=3 2302 B12R0.206 CCCCC(=O)NCCCCSC 7eb15abe44572fb34f98eb85f223c298 [0,1,0,0,0,0|2,0,0]=3 2303 B12R0.206 CCCCC(=O)NCCCOCC 1ab2a8b6d814674961e457a217ed670b [0,1,0,0,0,0|2,0,0]=3 2304 B12R0.206 CCCCC(=O)NCCOCCC 6a024cb730827e4472b09220771d10fd [0,1,0,0,0,0|2,0,0]=3 2305 B12R0.206 CCCCC(=O)NCCOCCO fb5a87d9004d14d46c082a30e17aa6a2 [0,1,0,0,0,0|3,0,0]=4 2306 B12R0.206 CCCCC(=O)NCCOCCS 44cea7c89d0d6d6c982dd09890a5b8f2 [0,1,0,0,0,0|3,0,0]=4 2307 B12R0.206 CCCCC(=O)NCCSCCO bd125690773aaf407ed0ae754e92a98a [0,1,0,0,0,0|3,0,0]=4 2308 B12R0.206 CCCCC(=O)OCNCCC#N 5a84c06e7aff468a7b6758a14f05a7d4 [0,1,0,0,0,0|2,0,1]=4 2309 B12R0.206 CCCCC(=O)OCNCCCCl 2b82437783a22e441e7af4b857b75da5 [0,1,0,0,0,0|2,0,0]=3 2310 B12R0.206 CCCCC(=O)OCNCCCO a21688c02faef6a46a4d0fd1a2d1a399 [0,1,0,0,0,0|2,0,0]=3 2311 B12R0.206 CCCCC(=O)OCNCCOC a17bb70a03baa300c62dcd09166d8f5a [0,1,0,0,0,0|2,0,0]=3 2312 B12R0.206 CCCCC(=O)OCNCCON d5b3ccd782e6cfa2e5673ae899cf1398 [0,1,0,0,0,0|3,0,0]=4 2313 B12R0.206 CCCCC(=O)OCNCCSC f6e1e41007aefec042962bbd8a2d8ae5 [0,1,0,0,0,0|2,0,0]=3 2314 B12R0.206 CCCCC(=O)OCOCCC#N d4a3aebb4efebe3876a98d67a599c079 [0,1,0,0,0,0|2,0,1]=4 2315 B12R0.206 CCCCC(=O)OCOCCC=O 4f86a6435f742c6a9191d6219bbf58e0 [0,1,0,0,0,0|2,0,1]=4 2316 B12R0.206 CCCCC(=O)OCOCCCF 310538ecf4f81a7112815e982f334f02 [0,1,0,0,0,0|2,0,0]=3 2317 B12R0.206 CCCCC(=O)OCOCCCS bfb274ea145689aeed7fedbbe26273b5 [0,1,0,0,0,0|2,0,0]=3 2318 B12R0.206 CCCCC(=O)OCOCCOC 67464e6bcd00b2f399726c08cf6df997 [0,1,0,0,0,0|2,0,0]=3 2319 B12R0.206 CCCCC(=O)OCOCCSC c0956cf633ab54833b5339fa281db62d [0,1,0,0,0,0|2,0,0]=3 2320 B12R0.206 CCCCC(C)OCCCCCF bf04d3e0de7dcb90c8001ff3f6f7086d [0,1,0,0,0,0|2,0,1]=4 2321 B12R0.206 CCCCC(C)OCCCCOC 7afedb2db2f8c9a17f735be5c8490f9d [0,1,0,0,0,0|2,0,1]=4 2322 B12R0.206 CCCCC(C)OCCCCSC f9f969910220b3c1ffa53cd63b9948a4 [0,1,0,0,0,0|2,0,1]=4 2323 B12R0.206 CCCCC(C)OCCCOCC 1ab9408c03cf3f53e335e3510f64bc84 [0,1,0,0,0,0|2,0,1]=4 2324 B12R0.206 CCCCC(C)OCCCSCC c6fe2fd5a302a2381441e131228d16ff [0,1,0,0,0,0|2,0,1]=4 2325 B12R0.206 CCCCC(C)OCCOCCC 9d82b151ea3cb68e3b56c8b90601635d [0,1,0,0,0,0|2,0,1]=4 2326 B12R0.206 CCCCC(C)OCCSCCC 7fb386462bc88f8ca1ab0ed7b2778edc [0,1,0,0,0,0|2,0,1]=4 2327 B12R0.206 CCCCC/C=C/C(=O)NCCBr 2d86ad87dcba7433ab905eb4ee63721d [0,1,0,0,0,0|2,0,1]=4 2328 B12R0.206 CCCCC/C=C/C(=O)NCCC 228634eae84737332c0778e1f0951576 [0,1,0,0,0,0|1,0,1]=3 2329 B12R0.206 CCCCC/C=C/C(=O)NCCF 449fae9f7a807a6eb13c8efd8e7834d4 [0,1,0,0,0,0|2,0,1]=4 2330 B12R0.206 CCCCC/C=C/C(=O)NCCI 8e804df18898082efee8df9bb245d38c [0,1,0,0,0,0|2,0,1]=4 2331 B12R0.206 CCCCC/C=C/C(=O)NCCO 763a49a7c41cfb9f53f1b2abad8d3f5e [0,1,0,0,0,0|2,0,1]=4 2332 B12R0.206 CCCCC/C=C/C(=O)NCCS 87e9a313bd5ad5047689dabcbb274481 [0,1,0,0,0,0|2,0,1]=4 2333 B12R0.206 CCCCCC#CC(=O)NCCBr fc2e7c4c5814fc6b8dd52a21b3f06dd5 [0,1,0,0,0,0|2,0,1]=4 2334 B12R0.206 CCCCCC#CC(=O)NCCC 0714bb493c9de9fcb293f38363d2f976 [0,1,0,0,0,0|1,0,1]=3 2335 B12R0.206 CCCCCC#CC(=O)NCCF a6e7de0f933777c447bb11253df8f09b [0,1,0,0,0,0|2,0,1]=4 2336 B12R0.206 CCCCCC#CC(=O)NCCI 50eb05f111924eafd257e8b343518a71 [0,1,0,0,0,0|2,0,1]=4 2337 B12R0.206 CCCCCC#CC(=O)NCCO 4ebfa428bada6f0cdcd24392de810f9a [0,1,0,0,0,0|2,0,1]=4 2338 B12R0.206 CCCCCC#CC(=O)NCCS e13e0fffddbdcfc600157d95161282cb [0,1,0,0,0,0|2,0,1]=4 2339 B12R0.206 CCCCCCCC(=O)NCC#N 5ad569cdb644ce963776cc78156d59e8 [0,1,0,0,0,0|2,0,1]=4 2340 B12R0.206 CCCCCCCC(=O)NCCBr aeb33913f692f8aeb2d88e85e8864d12 [0,1,0,0,0,0|2,0,0]=3 2341 B12R0.206 CCCCCCCC(=O)NCCC 803c3b5f65103b7f1c85f768d717c2f2 [0,1,0,0,0,0|1,0,0]=2 2342 B12R0.206 CCCCCCCC(=O)NCCF 5666ccc6ed2fb377267cd4664f7225c7 [0,1,0,0,0,0|2,0,0]=3 2343 B12R0.206 CCCCCCCC(=O)NCCI 6b13edd0735d1d59f96550bb7c54373a [0,1,0,0,0,0|2,0,0]=3 2344 B12R0.206 CCCCCCCC(=O)NCCO 59acf39a97659be39079e33de1548aab [0,1,0,0,0,0|2,0,0]=3 2345 B12R0.206 CCCCCCCC(=O)NCCS 3ddbaed3b0e1909b1a6b62a66497a6cb [0,1,0,0,0,0|2,0,0]=3 2346 B12R0.206 CCCCCCCC(C)COCC 1a3b833b2e2f5b7a93f9e25621f74f4b [0,1,0,0,0,0|2,0,1]=4 2347 B12R0.206 CCCCCCCC(C)OCCC ff15cb47ec2eae70e616a2b282843d08 [0,1,0,0,0,0|2,0,1]=4 2348 B12R0.206 CCCCCCCN(C)CCCC bb7bd898ca5eda84b35b1a3442b53bf8 [0,1,0,0,0,0|3,0,0]=4 2349 B12R0.206 CCCCCCCN(C)CCCF 4d4069666d2b0355ffcc3f52e217ce8f [0,1,0,0,0,0|3,0,0]=4 2350 B12R0.206 CCCCCCCN(C)CCCO d7ddd12e9bc0e2922d7d4b707ab593d4 [0,1,0,0,0,0|3,0,0]=4 2351 B12R0.206 CCCCCCCN(C)CCCS 0c6cc06451bf319b3c9f3550d234b4ae [0,1,0,0,0,0|3,0,0]=4 2352 B12R0.206 CCCCCCCN(C)CCOC 8b6f66e58decc84b72952b03c847b10b [0,1,0,0,0,0|3,0,0]=4 2353 B12R0.206 CCCCCCCN(C)CCSC 65c0fb756e262a2cc8e2580b93df1f77 [0,1,0,0,0,0|3,0,0]=4 2354 B12R0.206 CCCCCCCN(C)COCC 4e70e8c35aece0c85dbee65f0956cdfe [0,1,0,0,0,0|3,0,0]=4 2355 B12R0.206 CCCCCCC[C@H](C)NCCC 9e90aff5073fb1bac27e0ed9d66e782b [0,1,0,0,0,0|2,0,1]=4 2356 B12R0.206 CCCCCCNC(=O)/C=C/CF 5dc189665cbec589da8d3261ce5af8a9 [0,1,0,0,0,0|1,0,2]=4 2357 B12R0.206 CCCCCCNC(=O)/C=C/CO 1d7213f74573f0cb0656f7808bc0992f [0,1,0,0,0,0|1,0,2]=4 2358 B12R0.206 CCCCCCNC(=O)/C=C/OC fdbdf447cd1dbbe3aed079d801b6a38f [0,1,0,0,0,0|1,0,2]=4 2359 B12R0.206 CCCCCCNC(=O)C#CCO 1e024bd39f5bc8afd8e7fad36c372fdd [0,1,0,0,0,0|1,0,2]=4 2360 B12R0.206 CCCCCCNC(=O)C=CCO 7007ec4db7b57d2382a77e91846b4afd [0,1,0,0,0,0|1,0,2]=4 2361 B12R0.206 CCCCCCNC(=O)C=COC 119f1e2cc11cda3ea15c28b5e83fa5b3 [0,1,0,0,0,0|1,0,2]=4 2362 B12R0.206 CCCCCCNC(=O)CCC#N 6fce8769372929f5f16b30f798ba34e2 [0,1,0,0,0,0|1,0,1]=3 2363 B12R0.206 CCCCCCNC(=O)CCC=O 2fb1d197b8a4a365f4a484d3a35c8222 [0,1,0,0,0,0|1,0,1]=3 2364 B12R0.206 CCCCCCNC(=O)CCCC 70acaae11b2c6b1fd45feafe6ffa5b78 [0,1,0,0,0,0|1,0,0]=2 2365 B12R0.206 CCCCCCNC(=O)CCCF 0e993041ca52f0859a511df998766182 [0,1,0,0,0,0|1,0,0]=2 2366 B12R0.206 CCCCCCNC(=O)CCCS d10e075b1852f7856eaccec0857dcaaa [0,1,0,0,0,0|1,0,0]=2 2367 B12R0.206 CCCCCCNC(=O)CCOC b4c31b8a66eba6314d589b98dd099b43 [0,1,0,0,0,0|1,0,0]=2 2368 B12R0.206 CCCCCCNC(=O)CCSC 59d90d84443cb158320da85f181ac89e [0,1,0,0,0,0|1,0,0]=2 2369 B12R0.206 CCCCCCNC(=O)CNC#N 0fb45a821fc5f8e69f7f871d5759c138 [0,1,0,0,0,0|2,0,1]=4 2370 B12R0.206 CCCCCCNC(=O)CNC=O 31c9ce344b2ca66453f7291e1fcac037 [0,1,0,0,0,0|2,0,1]=4 2371 B12R0.206 CCCCCCNC(=O)COCC 4c932b059f758f3b35b21b0624ff070a [0,1,0,0,0,0|1,0,0]=2 2372 B12R0.206 CCCCCCNC(=O)CSCC 5c1f59ea001a51aa153486a70e0a9d7e [0,1,0,0,0,0|1,0,0]=2 2373 B12R0.206 CCCCCCNC(=O)CSSC 827e47548251a95554f83b6418ba0aee [0,1,0,0,0,0|2,0,0]=3 2374 B12R0.206 CCCCCCNC(=O)NCC#N 8580c8a48d59b68efbb1e60564285765 [0,1,0,0,0,0|2,0,1]=4 2375 B12R0.206 CCCCCCNC(=O)NCCC f36e2e39309d437e377f2067d3d3eff8 [0,1,0,0,0,0|1,0,0]=2 2376 B12R0.206 CCCCCCNC(=O)NCCF 13c674784da2709752dfed6a4658c69d [0,1,0,0,0,0|2,0,0]=3 2377 B12R0.206 CCCCCCNC(=O)NCCN 7f84ff0455b061bd0347d6aa73d0f51d [0,1,0,0,0,0|2,0,0]=3 2378 B12R0.206 CCCCCCNC(=O)NCCO e6e5324d912a2eb8a44e9bd8f0362eb9 [0,1,0,0,0,0|2,0,0]=3 2379 B12R0.206 CCCCCCNC(=O)NCCS 63c266e8d4232b081ad99720135ec884 [0,1,0,0,0,0|2,0,0]=3 2380 B12R0.206 CCCCCCNC(=S)NCCC fac2e7aebea1c7b5266f06058bfe6047 [0,1,0,0,0,0|1,1,0]=3 2381 B12R0.206 CCCCCCNC(=S)NCCF 49177acc0a436f48dedece595f9c5861 [0,1,0,0,0,0|2,1,0]=4 2382 B12R0.206 CCCCCCNC(=S)NCCN 3a4c7766501392958f95d105ce696940 [0,1,0,0,0,0|2,1,0]=4 2383 B12R0.206 CCCCCCNC(=S)NCCO cebff76d611175108a9c034e98ea7662 [0,1,0,0,0,0|2,1,0]=4 2384 B12R0.206 CCCCCCNC(=S)NCCS f4f21de3f83ff3420a4e5fd22bbda0ee [0,1,0,0,0,0|2,1,0]=4 2385 B12R0.206 CCCCCCNC(C)CCCC 8123fc097773e6444cf04adf12a38526 [0,1,0,0,0,0|2,0,1]=4 2386 B12R0.206 CCCCCCNC(C)CCCO 094fe4e7c5e0bb99179dc661a5a91c5a [0,1,0,0,0,0|2,0,1]=4 2387 B12R0.206 CCCCCCN[C@H](C)CCCC 9b9ad1cd48de6b21569a8ea12d0874c3 [0,1,0,0,0,0|2,0,1]=4 2388 B12R0.206 CCCCCCN[C@H](C)CCCO 74976d6e8fcf610c5a26880618d2ce74 [0,1,0,0,0,0|2,0,1]=4 2389 B12R0.206 CCCCCCOC(C)CCC#N 419ae4678055e967db3a4088b5a564d8 [0,1,0,0,0,0|1,0,2]=4 2390 B12R0.206 CCCCCCOC(C)CCCC 04829ec059dfcfc9e75c6467e18f1e92 [0,1,0,0,0,0|1,0,1]=3 2391 B12R0.206 CCCCCCOC(C)CCOC 000371982cd4340a9d912acaaf8a3a5d [0,1,0,0,0,0|1,0,1]=3 2392 B12R0.206 CCCCCCOC(C)COCC f5734d6ba6eb4c2590774e45a8431094 [0,1,0,0,0,0|1,0,1]=3 2393 B12R0.206 CCCCCCO[C@@H](C)CCCC dab3ff5e215dce23cef3459580579ba3 [0,1,0,0,0,0|1,0,1]=3 2394 B12R0.206 CCCCCCO[C@H](C)CCCC ef87ba988f98c72c2e57f873fe3da34a [0,1,0,0,0,0|1,0,1]=3 2395 B12R0.206 CCCCCNCC(=O)CCSC b8660bc8e2dae8d3245382c0aefef5b9 [0,1,0,0,0,0|2,0,0]=3 2396 B12R0.206 CCCCCNCC(=O)NCCC 485c0e9fef70d914d1fa68888287aa18 [0,1,0,0,0,0|2,0,0]=3 2397 B12R0.206 CCCCCNCC(=O)NCCO 9f811f81b7a80a50c5a8848a082e7a7e [0,1,0,0,0,0|3,0,0]=4 2398 B12R0.206 CCCCCNCC(=O)OCCC de2a306fea09af86abf0893fd5e0c26b [0,1,0,0,0,0|2,0,0]=3 2399 B12R0.206 CCCCCOCC(=O)CCSC e0465f9fcf86d30a9a9b3a436d617fe7 [0,1,0,0,0,0|2,0,0]=3 2400 B12R0.206 CCCCCOCC(=O)NCCC abc22212e9071637d4f7daf41e0c511d [0,1,0,0,0,0|2,0,0]=3 2401 B12R0.206 CCCCCOCC(=O)OCCC e665b649604e19dd7431faa0ad8c8b23 [0,1,0,0,0,0|2,0,0]=3 2402 B12R0.206 CCCCNCOC(=O)CCCC 1bafb601242da8a8d946db52f1bbeaf0 [0,1,0,0,0,0|1,0,0]=2 2403 B12R0.206 CCCCNCOC(=O)OCCC d83cefbdb3981c9e3c96c1cd40b4f56b [0,1,0,0,0,0|1,0,0]=2 2404 B12R0.206 CCCCOCCC(=O)NCCBr 1f6476d461fab6f2d3cf2b6fa4703df2 [0,1,0,0,0,0|3,0,0]=4 2405 B12R0.206 CCCCOCCC(=O)NCCC 73e057edf46603d2370e38c443d4a9b3 [0,1,0,0,0,0|2,0,0]=3 2406 B12R0.206 CCCCOCCC(=O)NCCF db1a56ade117c6b7b0ed0a0477088223 [0,1,0,0,0,0|3,0,0]=4 2407 B12R0.206 CCCCOCCC(=O)NCCI 4b5bcc697d9e410ccd2ea2cbf9faefd6 [0,1,0,0,0,0|3,0,0]=4 2408 B12R0.206 CCCCOCCC(=O)NCCO 67d4d72ef2bbabeb91fa0d8f5a17fbb5 [0,1,0,0,0,0|3,0,0]=4 2409 B12R0.206 CCCCOCCC(=O)NCCS 5beb6b5ee01b21622525c5f22e5baef6 [0,1,0,0,0,0|3,0,0]=4 2410 B12R0.206 CCCCOCCC(=O)OCCC 2a1b433dcea9d2880480901bab6925a9 [0,1,0,0,0,0|2,0,0]=3 2411 B12R0.206 CCCCOCOC(=O)CCCC fba6deb132e6e7f7f7861343ba29d758 [0,1,0,0,0,0|1,0,0]=2 2412 B12R0.206 CCCCOCOC(=O)OCCC 071c97a3bb68cd2ecd9925c15aaf1564 [0,1,0,0,0,0|1,0,0]=2 2413 B12R0.206 CCCCOCOC(C)CCCC cff643666b1841e94b0419a8ca406e82 [0,1,0,0,0,0|2,0,1]=4 2414 B12R0.206 CCCCOCOC(C)CCOC 4c44ec58e73321fc6770e530614fd6f8 [0,1,0,0,0,0|2,0,1]=4 2415 B12R0.206 CCCCOCOC(C)COCC a90425d6dfcbaea1c8aa22a603f0bcd7 [0,1,0,0,0,0|2,0,1]=4 2416 B12R0.206 CCCCOCO[C@@H](C)CCCC 2ab69918a5dcf2e188d06a7ba71d225a [0,1,0,0,0,0|2,0,1]=4 2417 B12R0.206 CCCCOCO[C@H](C)CCCC 9e529c83300f60abe58cff61fbc61c34 [0,1,0,0,0,0|2,0,1]=4 2418 B12R0.206 CCCC[C@@H](C)OCCCCCF 4b878e38f534510ba1aaf0fb1319ebc3 [0,1,0,0,0,0|2,0,1]=4 2419 B12R0.206 CCCC[C@@H](C)OCCCCOC 813e971fbefefce8b49ba5b352f980ca [0,1,0,0,0,0|2,0,1]=4 2420 B12R0.206 CCCC[C@@H](C)OCCCOCC 807a0b97444c3ca0fdd065a16f707f87 [0,1,0,0,0,0|2,0,1]=4 2421 B12R0.206 CCCC[C@@H](C)OCCCSCC a238d48b54cc8fc890a7795385ef2124 [0,1,0,0,0,0|2,0,1]=4 2422 B12R0.206 CCCC[C@@H](C)OCCOCCC 4b8e3e134a51c8394d29a1b972ebd620 [0,1,0,0,0,0|2,0,1]=4 2423 B12R0.206 CCCC[C@H](C)OCCCCCF 7e4db223ea7ee2cec45180ab9442d0da [0,1,0,0,0,0|2,0,1]=4 2424 B12R0.206 CCCC[C@H](C)OCCCCOC bd688f6eb279284a1942a7f9f88f6f34 [0,1,0,0,0,0|2,0,1]=4 2425 B12R0.206 CCCC[C@H](C)OCCCOCC ae8b6821fdbddd8029a1b702b194a82b [0,1,0,0,0,0|2,0,1]=4 2426 B12R0.206 CCCC[C@H](C)OCCCSCC 5f37a63aaf1848d7ab2e17c2e6b4f2e6 [0,1,0,0,0,0|2,0,1]=4 2427 B12R0.206 CCCC[C@H](C)OCCOCCC 36c73d37039a30979884cb009b8d5009 [0,1,0,0,0,0|2,0,1]=4 2428 B12R0.206 CCCNC(=O)CCCCCC=O a8e9e3cb9258f7f377f9d83a3afd88bd [0,1,0,0,0,0|2,0,1]=4 2429 B12R0.206 CCCNC(=O)CCCCCCF fe0c0826cc2a628723d94a0538063122 [0,1,0,0,0,0|2,0,0]=3 2430 B12R0.206 CCCNC(=O)CCCCCCO 06682eecaa9b10b95e75ffa3df2459d9 [0,1,0,0,0,0|2,0,0]=3 2431 B12R0.206 CCCNC(=O)CCCCCCS ba9f55ea28a9b7b31a9b4116bfb6bb62 [0,1,0,0,0,0|2,0,0]=3 2432 B12R0.206 CCCNC(=O)CCCCCOC 245314515c1d97c13d9adf584ef34ad0 [0,1,0,0,0,0|2,0,0]=3 2433 B12R0.206 CCCNC(=O)CCCCOCC b5b1837a84cecb8e93b60a73927b2d74 [0,1,0,0,0,0|2,0,0]=3 2434 B12R0.206 CCCNC(=O)CCCNCCBr 4fa3d7ab3d24793e7559d291fc3e0cd0 [0,1,0,0,0,0|3,0,0]=4 2435 B12R0.206 CCCNC(=O)CCCNCCF 3cc53ae75b0c0fd5595a7919885414a5 [0,1,0,0,0,0|3,0,0]=4 2436 B12R0.206 CCCNC(=O)CCCNCCI 452f68022b6e7a6d67d389d3260e0119 [0,1,0,0,0,0|3,0,0]=4 2437 B12R0.206 CCCNC(=O)CCCNCCO f185ad42ede60c10b0251a44cbc057be [0,1,0,0,0,0|3,0,0]=4 2438 B12R0.206 CCCNC(=O)CCCNCCS 07a3f2f6611f77ce1ccdf721e9ae5eb8 [0,1,0,0,0,0|3,0,0]=4 2439 B12R0.206 CCCNC(=O)CCCOCCC 435e5a2e43d294bff9b948a4f65ab99d [0,1,0,0,0,0|2,0,0]=3 2440 B12R0.206 CCCNC(=O)CCCOCCF 8115036f6d300124bf91f447e7fc1d65 [0,1,0,0,0,0|3,0,0]=4 2441 B12R0.206 CCCNC(=O)CCCOCCS 4ab3f2ebe1a9f23128ec5bf3cb960077 [0,1,0,0,0,0|3,0,0]=4 2442 B12R0.206 CCCNC(=O)CCCOCOC 21cb1379c229cade9043d990095529ac [0,1,0,0,0,0|3,0,0]=4 2443 B12R0.206 CCCNC(=O)CCOCCOC 944c62a51034113604155675c11442bc [0,1,0,0,0,0|3,0,0]=4 2444 B12R0.206 CCCNC(=O)CNCCCCCl be671185708e2cc6ae114eab4b33f89b [0,1,0,0,0,0|3,0,0]=4 2445 B12R0.206 CCCNC(=O)CNCCCCF 0afb27739ae3d7ce8e9c841c1dfe516a [0,1,0,0,0,0|3,0,0]=4 2446 B12R0.206 CCCNC(=O)CNCCCCO 4e04494b3a8ce39053c54760b63e8c39 [0,1,0,0,0,0|3,0,0]=4 2447 B12R0.206 CCCNC(=O)CNCCCCS d549174cf1342aa8161d38ad736463e6 [0,1,0,0,0,0|3,0,0]=4 2448 B12R0.206 CCCNC(=O)CNCCCOC f1d559c50a4238e42afd5c2b201380f0 [0,1,0,0,0,0|3,0,0]=4 2449 B12R0.206 CCCNC(=O)CNCCCSC 83399536b7b4ed54e7857f5c6777ea6f [0,1,0,0,0,0|3,0,0]=4 2450 B12R0.206 CCCNC(=O)CNCCOCC c7cd1afbfa1112b2db289eb78589529d [0,1,0,0,0,0|3,0,0]=4 2451 B12R0.206 CCCNC(=O)CNCCSCC 656339fa6b28d4123d42827c5e2d0b6d [0,1,0,0,0,0|3,0,0]=4 2452 B12R0.206 CCCNC(=O)COCCCCF c9b82e69fa17b4aefca8d0d00aae0aae [0,1,0,0,0,0|3,0,0]=4 2453 B12R0.206 CCCNC(=O)COCCCCS ea53eaedadf6023dd32c22bf87eec6b6 [0,1,0,0,0,0|3,0,0]=4 2454 B12R0.206 CCCNC(=O)COCCCOC 7f360a2792f4040b0fb0bfec743b6b00 [0,1,0,0,0,0|3,0,0]=4 2455 B12R0.206 CCCNC(=O)COCCCSC eb36332993f7710ddb644cca55e6d16b [0,1,0,0,0,0|3,0,0]=4 2456 B12R0.206 CCCNC(=O)COCCOCC 75da184737f045ab1cb4d25be30a51db [0,1,0,0,0,0|3,0,0]=4 2457 B12R0.206 CCCNC(=O)COCCSCC 4e252423249147465b1fd78bdb26182f [0,1,0,0,0,0|3,0,0]=4 2458 B12R0.206 CCCNC(=O)NCCCCC#N fe4e8f7c854d029139aa35738a6c7634 [0,1,0,0,0,0|2,0,1]=4 2459 B12R0.206 CCCNC(=O)NCCCCCN 48f071fbd062de65f3de6b55455d654d [0,1,0,0,0,0|2,0,0]=3 2460 B12R0.206 CCCNC(=O)NCCCCCO 3d6d5434d619855100527a2575cc0921 [0,1,0,0,0,0|2,0,0]=3 2461 B12R0.206 CCCNC(=O)NCCCCOC 653f1b3fa4dcf79f739f85c91c17721d [0,1,0,0,0,0|2,0,0]=3 2462 B12R0.206 CCCNC(=O)NCCCCSC f2b71315989a58cef03f8f190de6f5b1 [0,1,0,0,0,0|2,0,0]=3 2463 B12R0.206 CCCNC(=O)NCCCOCC d714c40e165f327a9a129525803ce408 [0,1,0,0,0,0|2,0,0]=3 2464 B12R0.206 CCCNC(=O)NCCOCCC 270129a94826db6ababc00fc15112a7b [0,1,0,0,0,0|2,0,0]=3 2465 B12R0.206 CCCNC(=O)NCCOCCN e8d856b9894361c40c4779c110342ba9 [0,1,0,0,0,0|3,0,0]=4 2466 B12R0.206 CCCNC(=O)NCCOCCO 4cab1597b84f015f6a006a7b391d40fd [0,1,0,0,0,0|3,0,0]=4 2467 B12R0.206 CCCNC(=O)NCCOCCS 91a0b5501303087b625ddd43210b3ccd [0,1,0,0,0,0|3,0,0]=4 2468 B12R0.206 CCCNC(=O)NCCSCCN 08d898c91bc068506c2e5d9b6625da80 [0,1,0,0,0,0|3,0,0]=4 2469 B12R0.206 CCCNC(=O)NCCSCCO 0a95222bb0b9f2869a646e8d60d5de65 [0,1,0,0,0,0|3,0,0]=4 2470 B12R0.206 CCCNC(=S)NCCCCCN ff78fa31ed10b80862fee62d9c0fe094 [0,1,0,0,0,0|2,1,0]=4 2471 B12R0.206 CCCNC(=S)NCCCCCO 445b51fa6f5b7ea6c8c5fa3eb690889a [0,1,0,0,0,0|2,1,0]=4 2472 B12R0.206 CCCNC(=S)NCCCCOC f13ef17b88f3b7c2b3ab7e8c799a388a [0,1,0,0,0,0|2,1,0]=4 2473 B12R0.206 CCCNC(=S)NCCCCSC f0baa817d70ac086e9e8e15c777875ef [0,1,0,0,0,0|2,1,0]=4 2474 B12R0.206 CCCNC(=S)NCCCOCC e50c0a0c978593a8f8c3c4bc5bbe505b [0,1,0,0,0,0|2,1,0]=4 2475 B12R0.206 CCCNC(=S)NCCOCCC 9a8cbde6aed64e3fbe7586418a00e0e3 [0,1,0,0,0,0|2,1,0]=4 2476 B12R0.206 CCCNCCCC(=O)NCCC b3989e6e752d16b37af92ec59dbde35e [0,1,0,0,0,0|2,0,0]=3 2477 B12R0.206 CCCOC(=O)CCOCCCF 59c320dac474ec2811161e66e2464e17 [0,1,0,0,0,0|3,0,0]=4 2478 B12R0.206 CCCOC(=O)CCOCCCS df5e25595ce3867540563719c60661ae [0,1,0,0,0,0|3,0,0]=4 2479 B12R0.206 CCCOC(=O)CCOCCOC 7d8b07772216d464006195a1995cf433 [0,1,0,0,0,0|3,0,0]=4 2480 B12R0.206 CCCOC(=O)CCOCCSC 43393629d1c19e33dd16ab0a5b691755 [0,1,0,0,0,0|3,0,0]=4 2481 B12R0.206 CCCOC(=O)CCOCOCC e96b1f0233aac9513065515ff95e9fbb [0,1,0,0,0,0|3,0,0]=4 2482 B12R0.206 CCCOC(=O)CNCCCCCl 45124241f08a9fc598ed39bd0c8c5fcd [0,1,0,0,0,0|3,0,0]=4 2483 B12R0.206 CCCOC(=O)CNCCCCO 22ae123d3c65c6c95d71f7b1ecad0bd7 [0,1,0,0,0,0|3,0,0]=4 2484 B12R0.206 CCCOC(=O)CNCCCCS cd5a830a215bf4ab5f9696b39be26218 [0,1,0,0,0,0|3,0,0]=4 2485 B12R0.206 CCCOC(=O)CNCCCOC 369fb59c7286eb1404e186af1ece60a7 [0,1,0,0,0,0|3,0,0]=4 2486 B12R0.206 CCCOC(=O)CNCCCSC a1284ac40db9278ad53c7b780c9b1311 [0,1,0,0,0,0|3,0,0]=4 2487 B12R0.206 CCCOC(=O)CNCCOCC 498ef4fd4a133dde7f23ecde8a14227a [0,1,0,0,0,0|3,0,0]=4 2488 B12R0.206 CCCOC(=O)CNCCSCC 66d7f73a4cc276f938121e64e38aa544 [0,1,0,0,0,0|3,0,0]=4 2489 B12R0.206 CCCOC(=O)COCCCCF c96c9c870dbd0d200fe7d90a4f625f99 [0,1,0,0,0,0|3,0,0]=4 2490 B12R0.206 CCCOC(=O)COCCCCS 90eaabb4e8b7deca2ef25ad6d664554b [0,1,0,0,0,0|3,0,0]=4 2491 B12R0.206 CCCOC(=O)COCCCOC 114b77280af3929272a16e8b43f72bb1 [0,1,0,0,0,0|3,0,0]=4 2492 B12R0.206 CCCOC(=O)COCCCSC 3af9e40c6758f83423fcf56581d905f0 [0,1,0,0,0,0|3,0,0]=4 2493 B12R0.206 CCCOC(=O)COCCOCC 9e89e3c3bac026b79da1a8c44252376c [0,1,0,0,0,0|3,0,0]=4 2494 B12R0.206 CCCOC(=O)COCCSCC 23f30dca08bdf145f9f32c210829965b [0,1,0,0,0,0|3,0,0]=4 2495 B12R0.206 CCCOC(=O)OCNCCC#N 6f2e1de7572c7e34af226cc3ed96e6ef [0,1,0,0,0,0|2,0,1]=4 2496 B12R0.206 CCCOC(=O)OCNCCCCl 7bb6bd08b4e0e8b3a7867d17047dac28 [0,1,0,0,0,0|2,0,0]=3 2497 B12R0.206 CCCOC(=O)OCNCCCO 642e33d09b2da3a6be58e56a0c5ea870 [0,1,0,0,0,0|2,0,0]=3 2498 B12R0.206 CCCOC(=O)OCNCCOC ee45e6859617993e2ec8182850f0357b [0,1,0,0,0,0|2,0,0]=3 2499 B12R0.206 CCCOC(=O)OCNCCON 506645d22edace0a38ff0c46788d7b42 [0,1,0,0,0,0|3,0,0]=4 2500 B12R0.206 CCCOC(=O)OCNCCSC 5e1b4972b6b67d6f1146aee01d14fe96 [0,1,0,0,0,0|2,0,0]=3 2501 B12R0.206 CCCOC(=O)OCOCCC#N 37fc8ee5179e64a622bab304e91647c6 [0,1,0,0,0,0|2,0,1]=4 2502 B12R0.206 CCCOC(=O)OCOCCC=O 839353848d8a6d358627ebbbae55fd43 [0,1,0,0,0,0|2,0,1]=4 2503 B12R0.206 CCCOC(=O)OCOCCCF 61d6de8f87f9cf6815d7c9a1c4f71ab8 [0,1,0,0,0,0|2,0,0]=3 2504 B12R0.206 CCCOC(=O)OCOCCCS ea19e0ee2b154c918efdcbf4620bbde0 [0,1,0,0,0,0|2,0,0]=3 2505 B12R0.206 CCCOC(=O)OCOCCOC 4533308de982d03fce87bd28a54ffa5c [0,1,0,0,0,0|2,0,0]=3 2506 B12R0.206 CCCOC(=O)OCOCCSC 51b2676dc872400c33bef2e593c14f3a [0,1,0,0,0,0|2,0,0]=3 2507 B12R0.206 CCCOCCNC(=O)CCC#N 97400ad835ce8c94b25c65bc4bf9e5f3 [0,1,0,0,0,0|2,0,1]=4 2508 B12R0.206 CCCOCCNC(=O)CCC=O 6e3b3a9f67e1921e2ccb53c7370e8b28 [0,1,0,0,0,0|2,0,1]=4 2509 B12R0.206 CCCOCCNC(=O)CCCF dc5a48f08ca6357a67b4ac99f8f2198d [0,1,0,0,0,0|2,0,0]=3 2510 B12R0.206 CCCOCCNC(=O)CCCS b32d77f2830975559988ddb2e181f686 [0,1,0,0,0,0|2,0,0]=3 2511 B12R0.206 CCCOCCNC(=O)CCOC 9ef45dfe14d53154c9b4ae5291ccc7cf [0,1,0,0,0,0|2,0,0]=3 2512 B12R0.206 CCCOCCNC(=O)CCSC a1a72933c38d4fbf2bf13bd69a5128b5 [0,1,0,0,0,0|2,0,0]=3 2513 B12R0.206 CCCOCCNC(=O)COCC 2aee6b126539cc9ff72436117d573816 [0,1,0,0,0,0|2,0,0]=3 2514 B12R0.206 CCCOCCNC(=O)CSCC b56bde388ef4f750117394d9220222ce [0,1,0,0,0,0|2,0,0]=3 2515 B12R0.206 CCCOCCNC(=O)CSSC 8f0cec9b5965640587f6d89d85e0c059 [0,1,0,0,0,0|3,0,0]=4 2516 B12R0.206 CCCOCCNC(=O)NCCF aac7cb1cbe5617bab25a39aa1828c19e [0,1,0,0,0,0|3,0,0]=4 2517 B12R0.206 CCCOCCNC(=O)NCCN 2e249dac0fa6614a864fa260ea6aec2b [0,1,0,0,0,0|3,0,0]=4 2518 B12R0.206 CCCOCCNC(=O)NCCO 60abfd48f936c746340a8e1344941d2b [0,1,0,0,0,0|3,0,0]=4 2519 B12R0.206 CCCOCCNC(=O)NCCS 3c3d9bbafa9882901603f224155636f6 [0,1,0,0,0,0|3,0,0]=4 2520 B12R0.206 CCCOCCOC(C)CCOC a009f663fde975cdb252f28ed3984257 [0,1,0,0,0,0|2,0,1]=4 2521 B12R0.206 CCCOCCOC(C)CCSC 97ea0350f68fd85deddac91e8eccf782 [0,1,0,0,0,0|2,0,1]=4 2522 B12R0.206 CCCOCCOC(C)COCC ddc586dd7909a1eef9a178c31923862f [0,1,0,0,0,0|2,0,1]=4 2523 B12R0.206 CCOCC(=O)NCCCCC#N 68146c45ae7e4c9cea899a528ebfff7f [0,1,0,0,0,0|2,0,1]=4 2524 B12R0.206 CCOCC(=O)NCCCCCCl b06604fd9514fdcf70e8e9606bf0b24a [0,1,0,0,0,0|2,0,0]=3 2525 B12R0.206 CCOCC(=O)NCCCCCO bbee7340672399548a33b418263e51c3 [0,1,0,0,0,0|2,0,0]=3 2526 B12R0.206 CCOCC(=O)NCCCCOC a75ad6578b872d4f30eb77f0f84fc278 [0,1,0,0,0,0|2,0,0]=3 2527 B12R0.206 CCOCC(=O)NCCCCSC dce29b0bd575db726919525da2e46ca5 [0,1,0,0,0,0|2,0,0]=3 2528 B12R0.206 CCOCC(=O)NCCOCCO c58d4d8f8d24c00593c8da563a9e4ea6 [0,1,0,0,0,0|3,0,0]=4 2529 B12R0.206 CCOCC(=O)NCCOCCS e8ec400151508c77cf8becc7dad8f301 [0,1,0,0,0,0|3,0,0]=4 2530 B12R0.206 CCOCC(=O)NCCSCCO 9db7ff185cfd6592a2f9e7e7e7f38769 [0,1,0,0,0,0|3,0,0]=4 2531 B12R0.206 CCOCC(C)OCCCCCF cf7128136b97805ca7f9eb0a2d17aadf [0,1,0,0,0,0|2,0,1]=4 2532 B12R0.206 CCOCC(C)OCCCCOC 9e7ef236c3a3783c17b4a720fa58c103 [0,1,0,0,0,0|2,0,1]=4 2533 B12R0.206 CCOCC(C)OCCCSCC 958a8a7c1c278550b83f4e04a63038e4 [0,1,0,0,0,0|2,0,1]=4 2534 B12R0.206 CCOCCCCC(=O)NCCBr 3bae439d51f869de9612a780a934e2a4 [0,1,0,0,0,0|3,0,0]=4 2535 B12R0.206 CCOCCCCC(=O)NCCF 64004a00af9fe8dcbb173ccb789ecb85 [0,1,0,0,0,0|3,0,0]=4 2536 B12R0.206 CCOCCCCC(=O)NCCI c728ea5925f280850c1b315cfc66f681 [0,1,0,0,0,0|3,0,0]=4 2537 B12R0.206 CCOCCCCC(=O)NCCO 338104cc3c9eb29c7607d49d5e72a65a [0,1,0,0,0,0|3,0,0]=4 2538 B12R0.206 CCOCCCCC(=O)NCCS 966ea7ad6c11b4ea6f5bee1b504c5c6f [0,1,0,0,0,0|3,0,0]=4 2539 B12R0.206 CCOCCCNC(=O)CCC#N 7c71868f884b4d6245db07068de54894 [0,1,0,0,0,0|2,0,1]=4 2540 B12R0.206 CCOCCCNC(=O)CCC=O 57348aef508b1093db78741251a1215a [0,1,0,0,0,0|2,0,1]=4 2541 B12R0.206 CCOCCCNC(=O)CCCF b7c8891201c1e9b495a01de5d354e12d [0,1,0,0,0,0|2,0,0]=3 2542 B12R0.206 CCOCCCNC(=O)CCCS ac183174555220d933ff57ff91e858a0 [0,1,0,0,0,0|2,0,0]=3 2543 B12R0.206 CCOCCCNC(=O)CCOC 4c679ef267eccebcc7ff027fb681e972 [0,1,0,0,0,0|2,0,0]=3 2544 B12R0.206 CCOCCCNC(=O)CCSC 9680e4c55e1adb37fcd81bf772481581 [0,1,0,0,0,0|2,0,0]=3 2545 B12R0.206 CCOCCCNC(=O)COCC 11952c318e7c8d69a9517c642900d017 [0,1,0,0,0,0|2,0,0]=3 2546 B12R0.206 CCOCCCNC(=O)CSCC 834ff0f7868123758683db4a0f7cba0a [0,1,0,0,0,0|2,0,0]=3 2547 B12R0.206 CCOCCCNC(=O)CSSC da06eca88378ca083591b79c6007049c [0,1,0,0,0,0|3,0,0]=4 2548 B12R0.206 CCOCCCNC(=O)NCCF 7d9532f104fd9ae6aa4b154051a22e1b [0,1,0,0,0,0|3,0,0]=4 2549 B12R0.206 CCOCCCNC(=O)NCCN cd41e7f7351cbc8ce5d6bba7e5edb657 [0,1,0,0,0,0|3,0,0]=4 2550 B12R0.206 CCOCCCNC(=O)NCCO 264def496230eebe5550cbad83ec6044 [0,1,0,0,0,0|3,0,0]=4 2551 B12R0.206 CCOCCCNC(=O)NCCS b7569f6d5fd0f34da7a6effd9c781002 [0,1,0,0,0,0|3,0,0]=4 2552 B12R0.206 CCOCCCOC(C)CCOC 9482d6cf87e4c69a8d9e46286dcda37f [0,1,0,0,0,0|2,0,1]=4 2553 B12R0.206 CCOCCCOC(C)CCSC a236ea08620ea969235bf8067cd3e48f [0,1,0,0,0,0|2,0,1]=4 2554 B12R0.206 CCOCCCOC(C)COCC 97adb156bf1de8cec63be34b891a3e48 [0,1,0,0,0,0|2,0,1]=4 2555 B12R0.206 CCOCCNCC(=O)CCSC 26a2431f538bb30088e8bc187adc1703 [0,1,0,0,0,0|3,0,0]=4 2556 B12R0.206 CCOCCOCC(=O)CCSC dcb6bef635dc88faf72afad3ea9747f1 [0,1,0,0,0,0|3,0,0]=4 2557 B12R0.206 CCSCC(=O)NCCCCC#N f83d68a8215c012c9938f164c4856c78 [0,1,0,0,0,0|2,0,1]=4 2558 B12R0.206 CCSCC(=O)NCCCCCCl bd70d06825fad57ad301eae44941f802 [0,1,0,0,0,0|2,0,0]=3 2559 B12R0.206 CCSCC(=O)NCCCCCO a6271136f0da7dde95e957f78ed48b73 [0,1,0,0,0,0|2,0,0]=3 2560 B12R0.206 CCSCC(=O)NCCCCOC cb2c3d1512e87b9a4e830cb306eec465 [0,1,0,0,0,0|2,0,0]=3 2561 B12R0.206 CCSCC(=O)NCCCCSC 19d93a44d33f3f64927b7f3716b4e6d7 [0,1,0,0,0,0|2,0,0]=3 2562 B12R0.206 CCSCC(=O)NCCOCCO 1c1f1a20af99a085b2f937b19375c1a9 [0,1,0,0,0,0|3,0,0]=4 2563 B12R0.206 CCSCC(=O)NCCOCCS 40c95278736a2137fbfd2d8140228640 [0,1,0,0,0,0|3,0,0]=4 2564 B12R0.206 CCSCC(=O)NCCSCCO 58f0e2f81651f5e37d2b295721179fd0 [0,1,0,0,0,0|3,0,0]=4 2565 B12R0.206 CCSCCCOC(C)CCOC 188ff939eecc782604f068ce9983b0a8 [0,1,0,0,0,0|2,0,1]=4 2566 B12R0.206 CCSCCCOC(C)CCSC ea19bb9a9e4b3d8c7c024deece7ecaaa [0,1,0,0,0,0|2,0,1]=4 2567 B12R0.206 CCSCCNCC(=O)CCSC 6dbe5b22ad5d4883aa31297472cbedcb [0,1,0,0,0,0|3,0,0]=4 2568 B12R0.206 CCSCCOCC(=O)CCSC dce40ba8d89ea72322a28facfa5ba09c [0,1,0,0,0,0|3,0,0]=4 2569 B12R0.206 COCCC(=O)NCCCCC#N 34b2d281e3c2736e470289950287929b [0,1,0,0,0,0|2,0,1]=4 2570 B12R0.206 COCCC(=O)NCCCCCCl d4cdfb966c2192618599415da7156c16 [0,1,0,0,0,0|2,0,0]=3 2571 B12R0.206 COCCC(=O)NCCCCCO 499bff9f059a4e192e1acd1978967440 [0,1,0,0,0,0|2,0,0]=3 2572 B12R0.206 COCCC(=O)NCCCCSC 824f25fdb226cc8962b57df9576b629e [0,1,0,0,0,0|2,0,0]=3 2573 B12R0.206 COCCC(=O)NCCOCCO fda46292a05257f02245b6f2461f0f91 [0,1,0,0,0,0|3,0,0]=4 2574 B12R0.206 COCCC(=O)NCCOCCS 12cfea03f817eb794846ac9e3c5e2c51 [0,1,0,0,0,0|3,0,0]=4 2575 B12R0.206 COCCC(=O)NCCSCCO 8b395cea97863307fdfdd3043e87f1c5 [0,1,0,0,0,0|3,0,0]=4 2576 B12R0.206 COCCC(C)OCCCCCF d70fdecb0e64d3952b3988f449ed79e5 [0,1,0,0,0,0|2,0,1]=4 2577 B12R0.206 COCCCCCC(=O)NCCBr 4209f75b112e962bcd7153d89a9b116f [0,1,0,0,0,0|3,0,0]=4 2578 B12R0.206 COCCCCCC(=O)NCCF c84e52b019de35b473bb100f07c2ec9f [0,1,0,0,0,0|3,0,0]=4 2579 B12R0.206 COCCCCCC(=O)NCCI f171326a21d4344acf2e734aee783550 [0,1,0,0,0,0|3,0,0]=4 2580 B12R0.206 COCCCCCC(=O)NCCO 0d47c2b7de9f30a10159948ee55487aa [0,1,0,0,0,0|3,0,0]=4 2581 B12R0.206 COCCCCCC(=O)NCCS 4a462384bd3128f34c621fcb7cbd4115 [0,1,0,0,0,0|3,0,0]=4 2582 B12R0.206 COCCCCNC(=O)CCC#N 1e0fa2d89e00436d0c5f837023eed3c2 [0,1,0,0,0,0|2,0,1]=4 2583 B12R0.206 COCCCCNC(=O)CCC=O 2fdbb2220bda0d3e139c9c4987f79395 [0,1,0,0,0,0|2,0,1]=4 2584 B12R0.206 COCCCCNC(=O)CCCF 2aae8aeb8673ab0d81a4812b1ae64612 [0,1,0,0,0,0|2,0,0]=3 2585 B12R0.206 COCCCCNC(=O)CCCS 630bd13edd3538bd7a4a179670f57ab2 [0,1,0,0,0,0|2,0,0]=3 2586 B12R0.206 COCCCCNC(=O)CCOC c1311a074c8f6ef84e40ed5ffbb0bded [0,1,0,0,0,0|2,0,0]=3 2587 B12R0.206 COCCCCNC(=O)CCSC 1b0e15e166c843778941a903c5ed8f31 [0,1,0,0,0,0|2,0,0]=3 2588 B12R0.206 COCCCCNC(=O)CSSC 48dc89c2b6ae69815ecfd7a6d882fcb9 [0,1,0,0,0,0|3,0,0]=4 2589 B12R0.206 COCCCCNC(=O)NCCF 8d3f4b1520b33273793960d82c7f8fff [0,1,0,0,0,0|3,0,0]=4 2590 B12R0.206 COCCCCNC(=O)NCCN 58aff469ad1dccae3991a6f00973cf38 [0,1,0,0,0,0|3,0,0]=4 2591 B12R0.206 COCCCCNC(=O)NCCO 59473b0f6251d9f3e6e0ada026dff12b [0,1,0,0,0,0|3,0,0]=4 2592 B12R0.206 COCCCCNC(=O)NCCS 91ec058e46da259b16c66dfe8f49728a [0,1,0,0,0,0|3,0,0]=4 2593 B12R0.206 COCCCCOC(C)CCOC a4dd1d13452c40fd9c26109b25d8e92e [0,1,0,0,0,0|2,0,1]=4 2594 B12R0.206 COCCCCOC(C)CCSC 04d5d88669d912f3640c537b5eab79de [0,1,0,0,0,0|2,0,1]=4 2595 B12R0.206 COCCCNCC(=O)CCSC 8a3180b93e3e8a999c7235b3456aa8cb [0,1,0,0,0,0|3,0,0]=4 2596 B12R0.206 COCCCOCC(=O)CCSC ee048571c7dc4734da7d275bc079abf5 [0,1,0,0,0,0|3,0,0]=4 2597 B12R0.206 CSCCC(=O)CNCCCCCl c28fe48db208dd271df3fb5dff23a314 [0,1,0,0,0,0|3,0,0]=4 2598 B12R0.206 CSCCC(=O)CNCCCCO d07b7561e13bf7273ebcfe973bef6998 [0,1,0,0,0,0|3,0,0]=4 2599 B12R0.206 CSCCC(=O)CNCCCCS 3010b726bc6f94fca4bd7b67a93d095b [0,1,0,0,0,0|3,0,0]=4 2600 B12R0.206 CSCCC(=O)COCCCCF d11ddbc5d2e685e8e37fe724ffecf1a7 [0,1,0,0,0,0|3,0,0]=4 2601 B12R0.206 CSCCC(=O)COCCCCS 91d4401b78490fe11e501dfee0ae64d2 [0,1,0,0,0,0|3,0,0]=4 2602 B12R0.206 CSCCC(=O)NCCCCC#N e62b626c56eb9e2c58e79e3038ae6313 [0,1,0,0,0,0|2,0,1]=4 2603 B12R0.206 CSCCC(=O)NCCCCCCl 9c7b20e7bd3e3d93789bccffc2983428 [0,1,0,0,0,0|2,0,0]=3 2604 B12R0.206 CSCCC(=O)NCCCCCO 07fac50a534e664fca659dc46519c4fb [0,1,0,0,0,0|2,0,0]=3 2605 B12R0.206 CSCCC(=O)NCCOCCO 879baa943a3b154e246971ca5a67fc67 [0,1,0,0,0,0|3,0,0]=4 2606 B12R0.206 CSCCC(=O)NCCOCCS be6dafbb3b828b398c5731f5127f0441 [0,1,0,0,0,0|3,0,0]=4 2607 B12R0.206 CSCCC(=O)NCCSCCO 61641413066dc173cc3dd06f5d3911c5 [0,1,0,0,0,0|3,0,0]=4 2608 B12R0.206 CSCCC(C)OCCCCCF 4b230198dbdf29312f7232c9c99a535a [0,1,0,0,0,0|2,0,1]=4 2609 B12R0.206 CSCCCCNC(=O)CCC#N 8fcbf396edb37a14e9774771264bc54a [0,1,0,0,0,0|2,0,1]=4 2610 B12R0.206 CSCCCCNC(=O)CCC=O ef0b2acfd7352aca16d9b1e653449b13 [0,1,0,0,0,0|2,0,1]=4 2611 B12R0.206 CSCCCCNC(=O)CCCF dc97f2e785a7cba2f5e20c3e4b7af8a7 [0,1,0,0,0,0|2,0,0]=3 2612 B12R0.206 CSCCCCNC(=O)CCCS 754d1fbc1be236a132868e63423e83c1 [0,1,0,0,0,0|2,0,0]=3 2613 B12R0.206 CSCCCCNC(=O)CCSC b467793c0045061e3693e195b769accc [0,1,0,0,0,0|2,0,0]=3 2614 B12R0.206 CSCCCCNC(=O)CSSC d31e611bc3ab09c21c5c901494536b6a [0,1,0,0,0,0|3,0,0]=4 2615 B12R0.206 CSCCCCNC(=O)NCCF d32ad1977ac0b6608535dca9f0ba007d [0,1,0,0,0,0|3,0,0]=4 2616 B12R0.206 CSCCCCNC(=O)NCCN 4686a21045a4169b8302364c7506c2df [0,1,0,0,0,0|3,0,0]=4 2617 B12R0.206 CSCCCCNC(=O)NCCO 3389ddc64c96e3dfb83db2c04be11461 [0,1,0,0,0,0|3,0,0]=4 2618 B12R0.206 CSCCCCNC(=O)NCCS f769a8e574d82f3d9dea7254b3cd4887 [0,1,0,0,0,0|3,0,0]=4 2619 B12R0.206 CSCCCNCC(=O)CCSC 3df8753b910fb59d495defd51bb12ebb [0,1,0,0,0,0|3,0,0]=4 2620 B12R0.206 CSCCCOCC(=O)CCSC 153df029f4fbfc3ab4bb026158a58d3d [0,1,0,0,0,0|3,0,0]=4 2621 B12R0.206 CSSCC(=O)NCCCCCCl 1f4b1632d8e3c5948f52b7f35a70e4a6 [0,1,0,0,0,0|3,0,0]=4 2622 B12R0.206 CSSCC(=O)NCCCCCO 81445d4f88a2287eaa0de5a0c8b30c06 [0,1,0,0,0,0|3,0,0]=4 2623 B12R0.206 N#CCCC(=O)NCCCCCCl 811eaca56b4257c9ac0da2479af5922c [0,1,0,0,0,0|2,0,1]=4 2624 B12R0.206 N#CCCC(=O)NCCCCCO a1b400cae630128d31ca3e7a471a59c5 [0,1,0,0,0,0|2,0,1]=4 2625 B12R0.206 N#CCCCCNC(=O)CCCF a106855a6e5be9e5feb6a60af6faf9b0 [0,1,0,0,0,0|2,0,1]=4 2626 B12R0.206 N#CCCCCNC(=O)CCCS f5fe6ba2b0e137e2b02ebc4deb2f936e [0,1,0,0,0,0|2,0,1]=4 2627 B12R0.206 NCCCCCNC(=O)NCCF e7b285b38af6f4578adeaa7e3439e80e [0,1,0,0,0,0|3,0,0]=4 2628 B12R0.206 NCCCCCNC(=O)NCCN 345879b3cdb8c33bba80aab12218fe76 [0,1,0,0,0,0|3,0,0]=4 2629 B12R0.206 NCCCCCNC(=O)NCCO cfb2ea46086ad135e73f4b7b3d4dc825 [0,1,0,0,0,0|3,0,0]=4 2630 B12R0.206 NCCCCCNC(=O)NCCS 441cffa766e191685e8ca8476a4048b5 [0,1,0,0,0,0|3,0,0]=4 2631 B12R0.206 NCCNC(=O)NCCCCCO 6cc97fa5a2c4453d7804817fc617b566 [0,1,0,0,0,0|3,0,0]=4 2632 B12R0.206 O=C(CCCCCCF)NCCBr 216e6224eb305e261185bc8cecd10f9f [0,1,0,0,0,0|3,0,0]=4 2633 B12R0.206 O=C(CCCCCCF)NCCF e64f2d76e985254a554e66498d3555bf [0,1,0,0,0,0|3,0,0]=4 2634 B12R0.206 O=C(CCCCCCF)NCCI ebb0914ec79239a64d13891854445a71 [0,1,0,0,0,0|3,0,0]=4 2635 B12R0.206 O=C(CCCCCCF)NCCO 5a5f2ada65ad0cea3e70d10d92ad237a [0,1,0,0,0,0|3,0,0]=4 2636 B12R0.206 O=C(CCCCCCF)NCCS bd197ae6f236851a243c303938cb74b6 [0,1,0,0,0,0|3,0,0]=4 2637 B12R0.206 O=C(CCCCCCO)NCCBr 3e4e47794909e2969e5fd4361c8f5d49 [0,1,0,0,0,0|3,0,0]=4 2638 B12R0.206 O=C(CCCCCCO)NCCF 60f86e103ddbffff9ec8dcbf282de3f3 [0,1,0,0,0,0|3,0,0]=4 2639 B12R0.206 O=C(CCCCCCO)NCCI bcb66c169f829790d2ea5e740d6df3d2 [0,1,0,0,0,0|3,0,0]=4 2640 B12R0.206 O=C(CCCCCCO)NCCO 8cc85d436d401405585b434ca54943c3 [0,1,0,0,0,0|3,0,0]=4 2641 B12R0.206 O=C(CCCCCCO)NCCS 24710eb62f1a4bf767b4d73236b45e86 [0,1,0,0,0,0|3,0,0]=4 2642 B12R0.206 O=C(CCCCCCS)NCCBr 9241e463c73ca5d6e2f4f47d70dae1fd [0,1,0,0,0,0|3,0,0]=4 2643 B12R0.206 O=C(CCCCCCS)NCCF bc1057b361b82ebece9c4c25ac88c6ab [0,1,0,0,0,0|3,0,0]=4 2644 B12R0.206 O=C(CCCCCCS)NCCI b36f2fbaa2a3ec32556b860bb92ebcee [0,1,0,0,0,0|3,0,0]=4 2645 B12R0.206 O=C(CCCCCCS)NCCO 79bcce4ca7e18712d55f2951b74e3aa6 [0,1,0,0,0,0|3,0,0]=4 2646 B12R0.206 O=C(CCCCCCS)NCCS 9fdb6cd2ea3ee0317f7fbe24b8dc459f [0,1,0,0,0,0|3,0,0]=4 2647 B12R0.206 O=C(CCCF)NCCCCCCl bb53c6e128db6c08fdaa872db4411656 [0,1,0,0,0,0|2,0,0]=3 2648 B12R0.206 O=C(CCCF)NCCCCCO 8e61121d4c27bde03a14f7b304f4d946 [0,1,0,0,0,0|2,0,0]=3 2649 B12R0.206 O=C(CCCF)NCCOCCO cb4f37cf4436198ad08cd0ffa60c47ca [0,1,0,0,0,0|3,0,0]=4 2650 B12R0.206 O=C(CCCF)NCCOCCS 8f02d1b0f06dac9eb483e21cfba0429f [0,1,0,0,0,0|3,0,0]=4 2651 B12R0.206 O=C(CCCF)NCCSCCO 252d1e92fe311ac3c460ccf90aad992b [0,1,0,0,0,0|3,0,0]=4 2652 B12R0.206 O=C(CCCS)NCCCCCCl 92d94c83ee196df8450a59d093032b24 [0,1,0,0,0,0|2,0,0]=3 2653 B12R0.206 O=C(CCCS)NCCCCCO 8c3fe224ab90d4d687b3e1d0bd0dbda3 [0,1,0,0,0,0|2,0,0]=3 2654 B12R0.206 O=C(CCCS)NCCOCCO 8f50726426718f135ec30c8a6e9c31c9 [0,1,0,0,0,0|3,0,0]=4 2655 B12R0.206 O=C(CCCS)NCCOCCS 197acd8da644373e8d2505e4c21037bd [0,1,0,0,0,0|3,0,0]=4 2656 B12R0.206 O=C(CCCS)NCCSCCO fdb7c362640f3069b74f89e43db2d11e [0,1,0,0,0,0|3,0,0]=4 2657 B12R0.206 O=C(NCCF)NCCCCCO 94285596b31ff2c92789daea594b1e25 [0,1,0,0,0,0|3,0,0]=4 2658 B12R0.206 O=C(NCCO)NCCCCCO c2ec66660fca0e74a4b92c93dd0dc177 [0,1,0,0,0,0|3,0,0]=4 2659 B12R0.206 O=C(NCCS)NCCCCCO 13f95288d06e602f65e1e78538a3594d [0,1,0,0,0,0|3,0,0]=4 2660 B12R0.206 O=CCCC(=O)NCCCCCCl b4c9023c3d229ec81ad9176c61111c54 [0,1,0,0,0,0|2,0,1]=4 2661 B12R0.206 O=CCCC(=O)NCCCCCO bae5863f69a8739758b243bbc52e5599 [0,1,0,0,0,0|2,0,1]=4 2662 B12R0.239 C#CCC(=O)NC(C)CCCCC e01f0c8648bbf2b70d3efd8b9362568a [0,1,0,0,0,0|1,0,2]=4 2663 B12R0.239 C#CCC(=O)N[C@@H](C)CCCCC 7c5cb7ed086014015611e0ed85b880a6 [0,1,0,0,0,0|1,0,2]=4 2664 B12R0.239 C/C=C/C(=O)NC(C)CCCCC 9b744dac254679020632d1e65d0666c0 [0,1,0,0,0,0|1,0,2]=4 2665 B12R0.239 C/C=C/C(=O)N[C@@H](C)CCCCC 9c640ec993803ebc4ae8f3cec24b8288 [0,1,0,0,0,0|1,0,2]=4 2666 B12R0.239 C=CCC(=O)NC(C)CCCCC 6e16bb1c7db5bd84e9d3d233ec49cb1d [0,1,0,0,0,0|1,0,2]=4 2667 B12R0.239 C=CCC(=O)N[C@@H](C)CCCCC 56ab911bbea70cf659c68f5b26733661 [0,1,0,0,0,0|1,0,2]=4 2668 B12R0.239 CC#CC(=O)NC(C)CCCCC a6c8ad8290d5ffad550dd520423ba073 [0,1,0,0,0,0|1,0,2]=4 2669 B12R0.239 CC#CC(=O)N[C@@H](C)CCCCC 2b3d9cc866f10cb8354848d68981af73 [0,1,0,0,0,0|1,0,2]=4 2670 B12R0.239 CCCC(=O)CN(C)CCCCO 5b559d700470f809458840dfceac43ae [0,1,0,0,0,0|3,0,0]=4 2671 B12R0.239 CCCC(=O)CN(C)CCCOC 72cf5bb917468ba48c06ceb562fe140d [0,1,0,0,0,0|3,0,0]=4 2672 B12R0.239 CCCC(=O)CN(C)CCOCC 9101df555aa65eae11ba2763eda6ea37 [0,1,0,0,0,0|3,0,0]=4 2673 B12R0.239 CCCCCC(C)NC(=O)CC#N 8e2cbd87bd12ea8a47283429af61ea2c [0,1,0,0,0,0|2,0,1]=4 2674 B12R0.239 CCCCCC(C)NC(=O)CC=O 0f096ec31c9e39ee23dde51e48a5e887 [0,1,0,0,0,0|2,0,1]=4 2675 B12R0.239 CCCCCC(C)NC(=O)CCC 40689ef52d2540f485dd28780810c0e1 [0,1,0,0,0,0|1,0,0]=2 2676 B12R0.239 CCCCCC(C)NC(=O)CCF 84c4ab902fd32b6a23c9f6e676d20d6c [0,1,0,0,0,0|2,0,0]=3 2677 B12R0.239 CCCCCC(C)NC(=O)CCO 426961cf1e94bd17be408d2e9ebb2db8 [0,1,0,0,0,0|2,0,0]=3 2678 B12R0.239 CCCCCC(C)NC(=O)CCS 927c808256bd4f127682af7a62657407 [0,1,0,0,0,0|2,0,0]=3 2679 B12R0.239 CCCCCC(C)NC(=O)COC b757337b3edb194d7f4b5ba62fb39bab [0,1,0,0,0,0|2,0,0]=3 2680 B12R0.239 CCCCCC(C)NC(=O)CON 45d927f1ff2de7365c9e816e1593628f [0,1,0,0,0,0|3,0,0]=4 2681 B12R0.239 CCCCCC(C)NC(=O)CSC 8b97fcacc97d1ab9838c8c81d5d8c65d [0,1,0,0,0,0|2,0,0]=3 2682 B12R0.239 CCCCCC(C)NC(C)CCC 86cfdf3499c0869c0ebf6da2b15dfd86 [0,1,0,0,0,0|2,0,1]=4 2683 B12R0.239 CCCCCC(C)N[C@@H](C)CCC 248ec16f46e06d011770acdc44ecf9a7 [0,1,0,0,0,0|2,0,1]=4 2684 B12R0.239 CCCCCC(C)OC(=S)CCC cb491ca31ef38fa137f25eca9041b317 [0,1,0,0,0,0|0,1,0]=2 2685 B12R0.239 CCCCCC(C)OC(C)CCC 8b22b198dc1482cac5f3ba4b889aad07 [0,1,0,0,0,0|1,0,1]=3 2686 B12R0.239 CCCCCC(C)OC(C)COC 8b924ba78290037bad72b5021042e2b4 [0,1,0,0,0,0|2,0,1]=4 2687 B12R0.239 CCCCCC(C)OC(C)CSC bf9d9d4db3a6da45b4c612c281709325 [0,1,0,0,0,0|2,0,1]=4 2688 B12R0.239 CCCCCC(C)O[C@@H](C)CCC 20662af8300704bda003ca23ed8385e1 [0,1,0,0,0,0|1,0,1]=3 2689 B12R0.239 CCCCCC(C)O[C@@H](C)COC 4ff84388ff29f161cfb7ef6c0634774c [0,1,0,0,0,0|2,0,1]=4 2690 B12R0.239 CCCCCC(C)O[C@H](C)CCC 523872240709bbd9e9ee07496c3d20d5 [0,1,0,0,0,0|1,0,1]=3 2691 B12R0.239 CCCCCC(C)O[C@H](C)COC 1e7596f4ddf976b34875e4e1efa2be50 [0,1,0,0,0,0|2,0,1]=4 2692 B12R0.239 CCCCCN(C)CC(=O)CCC 4e315e5df1dc6de1405a197d38cf7d88 [0,1,0,0,0,0|2,0,0]=3 2693 B12R0.239 CCCCCN(C)CC(=O)COC f805da183fa773e52684246352e0418c [0,1,0,0,0,0|3,0,0]=4 2694 B12R0.239 CCCCCN(C)CC(=O)NCC eeb4e3e401ee7fd71433236537715a14 [0,1,0,0,0,0|3,0,0]=4 2695 B12R0.239 CCCCCN(C)CC(=O)OCC 574b0e60717ce8adfbc67c076a8df0a1 [0,1,0,0,0,0|3,0,0]=4 2696 B12R0.239 CCCCC[C@@H](C)OC(C)CCC 978846c067b256b9ce568a05fe467d6a [0,1,0,0,0,0|1,0,1]=3 2697 B12R0.239 CCCCC[C@@H](C)OC(C)COC f8adca8864c8f71c0bec56b14bcdc805 [0,1,0,0,0,0|2,0,1]=4 2698 B12R0.239 CCCCC[C@H](C)NC(=O)CC#N 5d0742d6aa7cdb3a50b47524a9274769 [0,1,0,0,0,0|2,0,1]=4 2699 B12R0.239 CCCCC[C@H](C)NC(=O)CC=O 3e3f3c4366d004ee502361cdcc08b7e1 [0,1,0,0,0,0|2,0,1]=4 2700 B12R0.239 CCCCC[C@H](C)NC(=O)CCC f24b9425ac6b3e481a8865d19f6433a1 [0,1,0,0,0,0|1,0,0]=2 2701 B12R0.239 CCCCC[C@H](C)NC(=O)CCF 9e6b6b021dc38eb915f1476ecb9ad9e1 [0,1,0,0,0,0|2,0,0]=3 2702 B12R0.239 CCCCC[C@H](C)NC(=O)CCO 506585c1b1c7f0841bb9f405a699677e [0,1,0,0,0,0|2,0,0]=3 2703 B12R0.239 CCCCC[C@H](C)NC(=O)CCS e64aeb8156b05848b73a7aab2b71b1dd [0,1,0,0,0,0|2,0,0]=3 2704 B12R0.239 CCCCC[C@H](C)NC(=O)COC 929ab6631d785ff2b8b6a6a981405514 [0,1,0,0,0,0|2,0,0]=3 2705 B12R0.239 CCCCC[C@H](C)NC(=O)CON 62a74dcf6f6246b0f7b54f300b81b17a [0,1,0,0,0,0|3,0,0]=4 2706 B12R0.239 CCCCC[C@H](C)NC(=O)CSC 17e1065d03b6b4f75dfa50dc047a7460 [0,1,0,0,0,0|2,0,0]=3 2707 B12R0.239 CCCCC[C@H](C)NC(C)CCC 3bf436956809d11dc5f954fb172f795d [0,1,0,0,0,0|2,0,1]=4 2708 B12R0.239 CCCCC[C@H](C)N[C@@H](C)CCC 59cbba0a9bbab9cbb96b43e9cd12297d [0,1,0,0,0,0|2,0,1]=4 2709 B12R0.239 CCCCC[C@H](C)OC(=S)CCC 42483c12356d923e5ecc6e50b9fbd89e [0,1,0,0,0,0|0,1,0]=2 2710 B12R0.239 CCCCC[C@H](C)OC(C)CCC d688da3118a2e804530f31c73163e717 [0,1,0,0,0,0|1,0,1]=3 2711 B12R0.239 CCCCC[C@H](C)OC(C)COC 57c6d262b3521da9f3d52b296c3a5c7c [0,1,0,0,0,0|2,0,1]=4 2712 B12R0.239 CCCCC[C@H](C)OC(C)CSC e42bb104a7f97f9747b1afa1a368805d [0,1,0,0,0,0|2,0,1]=4 2713 B12R0.239 CCCCC[C@H](C)O[C@@H](C)CCC 9fc74208fa45021d6e23e7a2a53f04d8 [0,1,0,0,0,0|1,0,1]=3 2714 B12R0.239 CCCCC[C@H](C)O[C@@H](C)COC d8f151d6621631c7ec314b15fe3ee89a [0,1,0,0,0,0|2,0,1]=4 2715 B12R0.239 CCCCC[C@H](C)O[C@H](C)CCC 5e4bbf6c5217ceaf5b4a621b18e8f3ed [0,1,0,0,0,0|1,0,1]=3 2716 B12R0.239 CCCCC[C@H](C)O[C@H](C)COC ed520c28f49c0069400024630b6b689b [0,1,0,0,0,0|2,0,1]=4 2717 B12R0.239 CCCCNC(=O)CC(=O)CCC 6f399e88e5d49c2458555fc5b272800d [0,1,0,0,0,0|2,0,1]=4 2718 B12R0.239 CCCCNC(C)CC(=O)OCC 25ee4cee14536e2cedbfda70c89431a5 [0,1,0,0,0,0|3,0,0]=4 2719 B12R0.239 CCCCNC(C)OC(=O)OCC 7efa03a4191d927b3158b15ddf275773 [0,1,0,0,0,0|2,0,0]=3 2720 B12R0.239 CCCCOC(C)CC(=O)OCC 321abfe896de9fccfcae9b8452c63f62 [0,1,0,0,0,0|3,0,0]=4 2721 B12R0.239 CCCCOC(C)OC(=O)OCC 4bc1695e3e78fa518be10eb95fa1ad3b [0,1,0,0,0,0|2,0,0]=3 2722 B12R0.239 CCCCO[C@@H](C)CC(=O)OCC cff9e7a7bc0486787d41f80a0434fc8f [0,1,0,0,0,0|3,0,0]=4 2723 B12R0.239 CCCCO[C@H](C)CC(=O)OCC 4a109a72cc989cc011632616e6b315ed [0,1,0,0,0,0|3,0,0]=4 2724 B12R0.239 CCCNCC(F)CC(=O)OCC 14634c4536d8d0fa53eed7c0cb340ef4 [0,1,0,0,0,0|3,0,0]=4 2725 B12R0.239 CCCNCC(O)CC(=O)OCC 4922a39b5876ae80be1f6caa79f69bc5 [0,1,0,0,0,0|3,0,0]=4 2726 B12R0.239 CCCNC[C@@H](O)CC(=O)OCC 6af681566f24dafd0ce97ef6a24f91f0 [0,1,0,0,0,0|3,0,0]=4 2727 B12R0.239 CCCNC[C@H](O)CC(=O)OCC 45a8e7d7454603f5fc29d5d7f9406760 [0,1,0,0,0,0|3,0,0]=4 2728 B12R0.239 CCCOCC(C)OC(C)CCC 28d912323eab445203f61bd758b55951 [0,1,0,0,0,0|2,0,1]=4 2729 B12R0.239 CCCOCC(F)CC(=O)OCC d6e6cb83b61010bd8e01c17a4dc01031 [0,1,0,0,0,0|3,0,0]=4 2730 B12R0.239 CCOC(=O)OC(C)NCCCCl f3cec2b41c66b3fa233da948e05232bb [0,1,0,0,0,0|3,0,0]=4 2731 B12R0.239 CCOC(=O)OC(C)NCCCO b169825e38d8a37baeed068f184ac691 [0,1,0,0,0,0|3,0,0]=4 2732 B12R0.239 CCOC(=O)OC(C)NCCOC 07f112f70ceebe20002ce5800db1772c [0,1,0,0,0,0|3,0,0]=4 2733 B12R0.239 CCOC(=O)OC(C)NCCSC 79c826728356d69e109867844f7a44f2 [0,1,0,0,0,0|3,0,0]=4 2734 B12R0.239 CCOC(=O)OC(C)OCCCF 98be86a7fdc2b1d6c84814b15039c7ca [0,1,0,0,0,0|3,0,0]=4 2735 B12R0.239 CCOC(=O)OC(C)OCCCS e998389bf81d1c62381ae2308dd8d861 [0,1,0,0,0,0|3,0,0]=4 2736 B12R0.239 CCOC(=O)OC(C)OCCOC 33580c97f0ec1f30bbf2a6496c9e647d [0,1,0,0,0,0|3,0,0]=4 2737 B12R0.239 CCOC(=O)OC(C)OCCSC a17a72f0909fe1eb843a01dea93b3892 [0,1,0,0,0,0|3,0,0]=4 2738 B12R0.276 C=CC(C)COCOC(=O)CCC aefd15a7561f402471a86550201fdc1e [0,1,0,0,0,0|1,0,2]=4 2739 B12R0.276 C=CC(C)OCCOC(=O)CCC d79d3fd725fdc66dad0e5004ffea96fd [0,1,0,0,0,0|1,0,2]=4 2740 B12R0.276 C=CC(O)CNCOC(=O)CCC c3c590b57cbf76be2362e2a6451cad29 [0,1,0,0,0,0|1,0,2]=4 2741 B12R0.276 CC(CO)CCCNC(=O)CCF d3c088d81f133442a69cae7a0918432c [0,1,0,0,0,0|3,0,0]=4 2742 B12R0.276 CC(CO)CCCNC(=O)CCO 9e526af8735e6f5912d029af25e2e0df [0,1,0,0,0,0|3,0,0]=4 2743 B12R0.276 CC(CO)CCCNC(=O)CCS 7962b8c1741b017eb585f9b25743b97a [0,1,0,0,0,0|3,0,0]=4 2744 B12R0.276 CCC(C)CCCOC(C)COC 90977fa2055891769a2e0b54db469a8a [0,1,0,0,0,0|2,0,1]=4 2745 B12R0.276 CCC(C)CCNCC(=O)COC 9bc6c96b5d87008fba522aaae05950a5 [0,1,0,0,0,0|3,0,0]=4 2746 B12R0.276 CCC(C)CCOCC(=O)COC d47a45f3fb83b603efe5e5eea107ddbf [0,1,0,0,0,0|3,0,0]=4 2747 B12R0.276 CCC(S)CCOCC(=O)COC fec57679ee1f0e155db9938b339d44c9 [0,1,0,0,0,0|3,0,0]=4 2748 B12R0.276 CCCC(=O)CNCCC(C)CC 7addffaddc3f54d44ecc8e40d4abba07 [0,1,0,0,0,0|2,0,0]=3 2749 B12R0.276 CCCC(=O)CNCCC(C)CO 5aae0a4b9d2795659040bde0d82892bb [0,1,0,0,0,0|3,0,0]=4 2750 B12R0.276 CCCC(=O)CNCCC(O)CO c72b5ba6fe9946502962ae7613548898 [0,1,0,0,0,0|3,0,0]=4 2751 B12R0.276 CCCC(=O)CNCC[C@@H](C)CO b1c1414adbf69521b3950cdae649abc7 [0,1,0,0,0,0|3,0,0]=4 2752 B12R0.276 CCCC(=O)COCCC(C)CC c7f459959a4b2fe0ac3657eddf397440 [0,1,0,0,0,0|2,0,0]=3 2753 B12R0.276 CCCC(=O)COCCC(C)OC 2912188d150e016287e770c7d5f965b9 [0,1,0,0,0,0|3,0,0]=4 2754 B12R0.276 CCCC(=O)COCCC(S)CC f4e36e7f12be4aa62a14a2df627fe5f0 [0,1,0,0,0,0|2,0,0]=3 2755 B12R0.276 CCCC(=O)COCC[C@@H](C)CC a56882399cd5b386d520ee473b017a1b [0,1,0,0,0,0|2,0,0]=3 2756 B12R0.276 CCCC(=O)NCCCC(=O)OC 0b6d878da113c887b1650eb508a860cf [0,1,0,0,0,0|2,0,1]=4 2757 B12R0.276 CCCC(=O)NCCCC(C)CO b600fdc6d95aeb9b7e936d7c088ccd4e [0,1,0,0,0,0|2,0,0]=3 2758 B12R0.276 CCCC(=O)NCCCN(C)CC 1fa3bb713caffb490857dea70d222b0d [0,1,0,0,0,0|2,0,0]=3 2759 B12R0.276 CCCC(=O)NCCNC(=O)CC b34acb0ac4f8f5b80c853213c5dd2688 [0,1,0,0,0,0|2,0,1]=4 2760 B12R0.276 CCCC(=O)OCCOC(C)C=O faa55f0ac8b4b4d2e06f0e427ca0d559 [0,1,0,0,0,0|2,0,1]=4 2761 B12R0.276 CCCC(=O)OCCOC(C)CC a4a6a2589daf29b089c1916679f2ee47 [0,1,0,0,0,0|1,0,0]=2 2762 B12R0.276 CCCC(=O)OCCO[C@H](C)C=O 56e7f3214d8e6bc3b37cb8c8941b11cf [0,1,0,0,0,0|2,0,1]=4 2763 B12R0.276 CCCC(=O)OCNCC(=O)NC 481054dbe1a6186629c8da61cb1f5cbc [0,1,0,0,0,0|2,0,1]=4 2764 B12R0.276 CCCC(=O)OCNCC(=O)OC 42fc508b3f6855685d2f11bc5b7cf3d2 [0,1,0,0,0,0|2,0,1]=4 2765 B12R0.276 CCCC(=O)OCNCC(Br)CBr 448f4d1124d009ceeb57c006d49bf138 [0,1,0,0,0,0|2,0,0]=3 2766 B12R0.276 CCCC(=O)OCNCC(C)C#N 913e6d0038d42878a829fe2be1819b0f [0,1,0,0,0,0|2,0,1]=4 2767 B12R0.276 CCCC(=O)OCNCC(C)CC e131bf4ecd9f14af8743b770d3a33652 [0,1,0,0,0,0|1,0,0]=2 2768 B12R0.276 CCCC(=O)OCNCC(C)CO 09d7ebd0c3c1fd992192bbbc9d35da1d [0,1,0,0,0,0|2,0,0]=3 2769 B12R0.276 CCCC(=O)OCNCC(F)CO 7d9ca3d8c1d73e9ba011a4ad2d38a16f [0,1,0,0,0,0|2,0,0]=3 2770 B12R0.276 CCCC(=O)OCNCC(O)CC c75b80727e50c6fd43c640c7d3a47288 [0,1,0,0,0,0|1,0,0]=2 2771 B12R0.276 CCCC(=O)OCNCC(O)CO 71884209985bb886eea5d819b34a9195 [0,1,0,0,0,0|2,0,0]=3 2772 B12R0.276 CCCC(=O)OCNC[C@@H](C)CC 32e4757c004e17d1a4c06a6ca7ba9e37 [0,1,0,0,0,0|1,0,0]=2 2773 B12R0.276 CCCC(=O)OCNC[C@@H](F)CO 5a415b825819bf365fcc8ca837be4715 [0,1,0,0,0,0|2,0,0]=3 2774 B12R0.276 CCCC(=O)OCNC[C@@H](O)CO ef05bcb1d5d33a4ad68dea66af85d958 [0,1,0,0,0,0|2,0,0]=3 2775 B12R0.276 CCCC(=O)OCNC[C@H](C)CO 60347cb82e85cda9a87d1b0bdadb98a4 [0,1,0,0,0,0|2,0,0]=3 2776 B12R0.276 CCCC(=O)OCNC[C@H](F)CO 22c3381d99fbf8d4d234dbedbdc4dc86 [0,1,0,0,0,0|2,0,0]=3 2777 B12R0.276 CCCC(=O)OCNC[C@H](O)CC 1ec0baa2338bbf9bb8cd2784e2a15135 [0,1,0,0,0,0|1,0,0]=2 2778 B12R0.276 CCCC(=O)OCNC[C@H](O)CO b67a8e5374b347510b74d5f452370b77 [0,1,0,0,0,0|2,0,0]=3 2779 B12R0.276 CCCC(=O)OCOCC(=O)CC 1cc4b38efa7c501f34136db55a54cb2f [0,1,0,0,0,0|1,0,1]=3 2780 B12R0.276 CCCC(=O)OCOCC(=O)NC 1e956095281dddd267e59a5175faab35 [0,1,0,0,0,0|2,0,1]=4 2781 B12R0.276 CCCC(=O)OCOCC(=O)OC c5ad0689f3f17cb4ece56825443040d7 [0,1,0,0,0,0|2,0,1]=4 2782 B12R0.276 CCCC(=O)OCOCC(Br)CBr 2e9ab23ca6a96580eadb73cffc706419 [0,1,0,0,0,0|2,0,0]=3 2783 B12R0.276 CCCC(=O)OCOCC(C)C#N d64afe3a7d220de9018a929ea56a0a8c [0,1,0,0,0,0|2,0,1]=4 2784 B12R0.276 CCCC(=O)OCOCC(C)CC 258f6f6dc38197d29685f235e6f4317e [0,1,0,0,0,0|1,0,0]=2 2785 B12R0.276 CCCC(=O)OCOCC(C)OC abb326fae7812ce691471197aba691b4 [0,1,0,0,0,0|2,0,0]=3 2786 B12R0.276 CCCC(=O)OCOCC(Cl)CCl e217f1b1b462eb18e98b4e6d73275aa2 [0,1,0,0,0,0|2,0,0]=3 2787 B12R0.276 CCCC(=O)OCOCC(S)CS 917324717a3ce9f288689d389dc81dcf [0,1,0,0,0,0|2,0,0]=3 2788 B12R0.276 CCCC(=O)OCOC[C@@H](C)CC 251e3f0d67663a862b5bfbc94c847e1e [0,1,0,0,0,0|1,0,0]=2 2789 B12R0.276 CCCC(=O)OCOC[C@@H](C)OC c9982c8169d33534bc352b1045019388 [0,1,0,0,0,0|2,0,0]=3 2790 B12R0.276 CCCC(=O)OCOC[C@H](C)CC 02c7c60e9861764e38c0bd96fa99d3b1 [0,1,0,0,0,0|1,0,0]=2 2791 B12R0.276 CCCC(=O)OCOC[C@H](C)OC 4d700542e33caf8294569daad8c4ed1e [0,1,0,0,0,0|2,0,0]=3 2792 B12R0.276 CCCC(=S)OCCCC(=O)NC d7d5e8fa6a577208ed7cd3bd59b14baa [0,1,0,0,0,0|1,1,1]=4 2793 B12R0.276 CCCC(=S)OCCCC(=O)OC 8fcf57b0290d5df6df42a85499942761 [0,1,0,0,0,0|1,1,1]=4 2794 B12R0.276 CCCC(C)OCCCC(C)CC 066d6e284a4157007d9f519bd7df8f6c [0,1,0,0,0,0|1,0,1]=3 2795 B12R0.276 CCCC(C)OCCCN(C)CC 245c916beb514f2e713fcd9c6ab9c6ec [0,1,0,0,0,0|2,0,1]=4 2796 B12R0.276 CCCC(C)OCCC[C@@H](C)CC 171e035e7e70b79797e5f4f97b2e6d92 [0,1,0,0,0,0|1,0,1]=3 2797 B12R0.276 CCN(C)CCCNC(=O)CCF d98ac508816e549581b19e48e6700aa1 [0,1,0,0,0,0|3,0,0]=4 2798 B12R0.276 CCN(C)CCCNC(=O)CCO 0055fc9dc00c423b8fe573d9aa9d4877 [0,1,0,0,0,0|3,0,0]=4 2799 B12R0.276 CCN(C)CCCNC(=O)CCS a0756f42a6585d30e2ddaa2af9372854 [0,1,0,0,0,0|3,0,0]=4 2800 B12R0.276 CCN(C)CCCNC(=O)COC 48e5748b9e969fb7ed3be429f5e117d5 [0,1,0,0,0,0|3,0,0]=4 2801 B12R0.276 CCN(C)CCCNC(=O)CSC 8bb408ef08475283e59371b420b2d3d2 [0,1,0,0,0,0|3,0,0]=4 2802 B12R0.276 CCNC(=O)CCNCC(C)CC b3c10ae7c9159b42c4092845b03de511 [0,1,0,0,0,0|3,0,0]=4 2803 B12R0.276 CCNC(=O)CCNCC(O)CC 74da289bfe8ebd2ca2559a072d9eca61 [0,1,0,0,0,0|3,0,0]=4 2804 B12R0.276 CCNC(=O)CCNC[C@@H](C)CC 0dcb4e7f55d50d2ae288f4c3c756c4c3 [0,1,0,0,0,0|3,0,0]=4 2805 B12R0.276 CCNC(=O)CCNC[C@H](O)CC f05554749c3c12ee8051f446b659889d [0,1,0,0,0,0|3,0,0]=4 2806 B12R0.276 CCNC(=O)CCOCC(C)CC ba199194ab8a8adfb793561c972e3872 [0,1,0,0,0,0|3,0,0]=4 2807 B12R0.276 CCNC(=O)CCOC[C@@H](C)CC 7de9f41a2f8568af910011644a62fa54 [0,1,0,0,0,0|3,0,0]=4 2808 B12R0.276 CCNC(=O)CCOC[C@H](C)CC 4360ee4ad8f504a29d5f5cb41546e7d6 [0,1,0,0,0,0|3,0,0]=4 2809 B12R0.276 CCNC(=O)CNCCC(C)CC 88576509745e460f777260663369d93d [0,1,0,0,0,0|3,0,0]=4 2810 B12R0.276 CCNC(=O)COCCC(C)CC 5910c5d57e87e53c20428bf29b1acdf3 [0,1,0,0,0,0|3,0,0]=4 2811 B12R0.276 CCNC(=O)COCCC(S)CC cede9677b050f3280794f0a349fd254f [0,1,0,0,0,0|3,0,0]=4 2812 B12R0.276 CCNC(=O)COCC[C@@H](C)CC f7da9b5193a6369da0b6b4813712cdfa [0,1,0,0,0,0|3,0,0]=4 2813 B12R0.276 CCOC(=O)CCCCN(C)CC 4c46b5b23788cb18ec9adaa3b99cf91c [0,1,0,0,0,0|3,0,0]=4 2814 B12R0.276 CCOC(=O)CCCNC(C)CC beb95b7ecc1f2cd05f6df378e369bad3 [0,1,0,0,0,0|3,0,0]=4 2815 B12R0.276 CCOC(=O)CCCN[C@@H](C)CC c08178b231a4920784961cd36d92dba8 [0,1,0,0,0,0|3,0,0]=4 2816 B12R0.276 CCOC(=O)CCCN[C@H](C)CC 1c5836220dc57dd0c7a5a6784b114dfc [0,1,0,0,0,0|3,0,0]=4 2817 B12R0.276 CCOC(=O)CCCOC(C)CC 75fc84fbbc1258a79d9f956ae6e1ad71 [0,1,0,0,0,0|3,0,0]=4 2818 B12R0.276 CCOC(=O)CCCO[C@@H](C)CC 9bb24c6b0eabe1dcd3df53886938874e [0,1,0,0,0,0|3,0,0]=4 2819 B12R0.276 CCOC(=O)CCCO[C@H](C)CC 1434fb0b55fe92d808b5c6f71b926bb6 [0,1,0,0,0,0|3,0,0]=4 2820 B12R0.276 CCOC(=O)CCNCC(C)CC a9834b8974ea52160da23299eafcfe55 [0,1,0,0,0,0|3,0,0]=4 2821 B12R0.276 CCOC(=O)CCNCC(O)CC 6a2ac94f8c1ae2499a8090780abda621 [0,1,0,0,0,0|3,0,0]=4 2822 B12R0.276 CCOC(=O)CCNC[C@@H](C)CC 6e42212600b9c2d83d9aa71b8ec529ac [0,1,0,0,0,0|3,0,0]=4 2823 B12R0.276 CCOC(=O)CCNC[C@H](C)CC b2b631177af9af0e145eeb9c6f369235 [0,1,0,0,0,0|3,0,0]=4 2824 B12R0.276 CCOC(=O)CCNC[C@H](O)CC 763c5747087c8e7488266c5937f544e9 [0,1,0,0,0,0|3,0,0]=4 2825 B12R0.276 CCOC(=O)CCOCC(C)CC f50c84868ccba9a95882f742193ea6b5 [0,1,0,0,0,0|3,0,0]=4 2826 B12R0.276 CCOC(=O)CCOC[C@@H](C)CC 0cc6f2becb8f8bc487193870755fc87a [0,1,0,0,0,0|3,0,0]=4 2827 B12R0.276 CCOC(=O)CCOC[C@H](C)CC 8e91b4481829b59b006fe3f233ef7338 [0,1,0,0,0,0|3,0,0]=4 2828 B12R0.276 CCOC(=O)CNCCC(C)CC ea6f45ef3596a93906ed058be6dcab49 [0,1,0,0,0,0|3,0,0]=4 2829 B12R0.276 CCOC(=O)COCCC(C)CC 39cfa337f35e6c5cc1f9ac82d18e2a51 [0,1,0,0,0,0|3,0,0]=4 2830 B12R0.276 CCOC(=O)COCCC(S)CC e9f6fd893f9e46af7bb6010d6bf37b2d [0,1,0,0,0,0|3,0,0]=4 2831 B12R0.276 CCOC(=O)COCC[C@@H](C)CC 6c0a0bcb0a35dcc87ead0eb527257d6c [0,1,0,0,0,0|3,0,0]=4 2832 B12R0.276 CCOC(=O)OCNCC(Br)CBr 3940e26d8469243a1985fd2470f4d3e0 [0,1,0,0,0,0|3,0,0]=4 2833 B12R0.276 CCOC(=O)OCNCC(C)CC ce67f7c2fac1bac695caead08dfa240f [0,1,0,0,0,0|2,0,0]=3 2834 B12R0.276 CCOC(=O)OCNCC(C)CO 1cdd3694df55895e4ba3e7974d3615e9 [0,1,0,0,0,0|3,0,0]=4 2835 B12R0.276 CCOC(=O)OCNCC(F)CO d5cb434c92f8333acd78fb55eb2f1758 [0,1,0,0,0,0|3,0,0]=4 2836 B12R0.276 CCOC(=O)OCNCC(O)CC bc950e362832326310658a338130b5c2 [0,1,0,0,0,0|2,0,0]=3 2837 B12R0.276 CCOC(=O)OCNCC(O)CO 06c183a07f216fcfd4036802a095218d [0,1,0,0,0,0|3,0,0]=4 2838 B12R0.276 CCOC(=O)OCNC[C@@H](C)CC f3e2c694011e5c311893aded95f34254 [0,1,0,0,0,0|2,0,0]=3 2839 B12R0.276 CCOC(=O)OCNC[C@@H](C)OC 4da82d031fb03e804bf65e77283f6bdf [0,1,0,0,0,0|3,0,0]=4 2840 B12R0.276 CCOC(=O)OCNC[C@@H](F)CO 4047172b1f86f839672312afcdb98f9f [0,1,0,0,0,0|3,0,0]=4 2841 B12R0.276 CCOC(=O)OCNC[C@@H](O)CO d2db3f4ca65d4912dcc02e86aa2816a8 [0,1,0,0,0,0|3,0,0]=4 2842 B12R0.276 CCOC(=O)OCNC[C@H](C)CO e5ebc01309cc31029dfe95322a6a3097 [0,1,0,0,0,0|3,0,0]=4 2843 B12R0.276 CCOC(=O)OCNC[C@H](C)OC 5e42f50a86f72f5898d4664188e1e3d2 [0,1,0,0,0,0|3,0,0]=4 2844 B12R0.276 CCOC(=O)OCNC[C@H](F)CO 590fc8395fb54c0fc5cf901a83a3bee8 [0,1,0,0,0,0|3,0,0]=4 2845 B12R0.276 CCOC(=O)OCNC[C@H](O)CC 85cf6757e734334cc9c349467a8c3c0a [0,1,0,0,0,0|2,0,0]=3 2846 B12R0.276 CCOC(=O)OCNC[C@H](O)CO 5d3a3a281d8a2bd42ae2be9a1c7c77bb [0,1,0,0,0,0|3,0,0]=4 2847 B12R0.276 CCOC(=O)OCOCC(=O)CC d6a631b74a3f47bd4c01943fc8ae7111 [0,1,0,0,0,0|2,0,1]=4 2848 B12R0.276 CCOC(=O)OCOCC(Br)CBr b0f602ad41d3f5a50787a265c1b49fb7 [0,1,0,0,0,0|3,0,0]=4 2849 B12R0.276 CCOC(=O)OCOCC(C)CC 5dd1fe02f2ca83f0ce9ec7cec01bdc76 [0,1,0,0,0,0|2,0,0]=3 2850 B12R0.276 CCOC(=O)OCOCC(C)OC 01b2f7c3a3951c1893d08e35aba23fe5 [0,1,0,0,0,0|3,0,0]=4 2851 B12R0.276 CCOC(=O)OCOCC(Cl)CCl 493adf9c428cd588d732d6202fa8ad5a [0,1,0,0,0,0|3,0,0]=4 2852 B12R0.276 CCOC(=O)OCOCC(S)CS a69fec4f54a5db4b86a73e593adbca87 [0,1,0,0,0,0|3,0,0]=4 2853 B12R0.276 CCOC(=O)OCOC[C@@H](C)CC 860b4a368a419e432f30fc043ecb7f3a [0,1,0,0,0,0|2,0,0]=3 2854 B12R0.276 CCOC(=O)OCOC[C@@H](C)OC f587479b3c728efc807bd7cdb3d74953 [0,1,0,0,0,0|3,0,0]=4 2855 B12R0.276 CCOC(=O)OCOC[C@H](C)CC b8efb951c46cdcdf97c7330081b9cf2c [0,1,0,0,0,0|2,0,0]=3 2856 B12R0.276 CCOC(=O)OCOC[C@H](C)OC eec1b824d02aad6aed97c9ff1692509f [0,1,0,0,0,0|3,0,0]=4 2857 B12R0.276 CCSC(=O)OCNCC(Br)CBr 50ce54dfd1213472b5da033f8fd5a257 [0,1,0,0,0,0|3,0,0]=4 2858 B12R0.276 CCSC(=O)OCNCC(C)CC 0771ae3aff54e91198ca3e0f435b1480 [0,1,0,0,0,0|2,0,0]=3 2859 B12R0.276 CCSC(=O)OCNCC(C)CO bff0322b8291e9999c2e209322d92013 [0,1,0,0,0,0|3,0,0]=4 2860 B12R0.276 CCSC(=O)OCNCC(F)CO a375576fe76e92340b46f8a339945e5c [0,1,0,0,0,0|3,0,0]=4 2861 B12R0.276 CCSC(=O)OCNCC(O)CC c650d228591b82be9bc7d0afac5fa5df [0,1,0,0,0,0|2,0,0]=3 2862 B12R0.276 CCSC(=O)OCNCC(O)CO c04f534f9ecde14b88d77a76aacffb3a [0,1,0,0,0,0|3,0,0]=4 2863 B12R0.276 CCSC(=O)OCNC[C@@H](C)CC 640d4863cd97e1d261d65d3dd3cd2fc9 [0,1,0,0,0,0|2,0,0]=3 2864 B12R0.276 CCSC(=O)OCNC[C@@H](C)OC 090b1fe800742ddf3a358a1b47ef2470 [0,1,0,0,0,0|3,0,0]=4 2865 B12R0.276 CCSC(=O)OCNC[C@@H](F)CO 2b67d2034272735d0fc248e4de8ac489 [0,1,0,0,0,0|3,0,0]=4 2866 B12R0.276 CCSC(=O)OCNC[C@@H](O)CO 0bb1de1240bf763d4fa6b3b5da02d2da [0,1,0,0,0,0|3,0,0]=4 2867 B12R0.276 CCSC(=O)OCNC[C@H](C)CO 8eb22d31269bf65a435d2d54af6ce611 [0,1,0,0,0,0|3,0,0]=4 2868 B12R0.276 CCSC(=O)OCNC[C@H](C)OC bfed6f5695ff7ecca49f2033f1580daa [0,1,0,0,0,0|3,0,0]=4 2869 B12R0.276 CCSC(=O)OCNC[C@H](F)CO 8028e6464a4fa62b04648de6b9621587 [0,1,0,0,0,0|3,0,0]=4 2870 B12R0.276 CCSC(=O)OCNC[C@H](O)CC 6774e03ea076ee210f5af50c3ebd831d [0,1,0,0,0,0|2,0,0]=3 2871 B12R0.276 CCSC(=O)OCNC[C@H](O)CO 9d5ea77a1aaa59fd564adb1b60055057 [0,1,0,0,0,0|3,0,0]=4 2872 B12R0.276 CCSC(=O)OCOCC(=O)CC a03ac965041727aa71d235d3ac539ff1 [0,1,0,0,0,0|2,0,1]=4 2873 B12R0.276 CCSC(=O)OCOCC(Br)CBr 20ebef347def0d42c3399a6c66839745 [0,1,0,0,0,0|3,0,0]=4 2874 B12R0.276 CCSC(=O)OCOCC(C)CC 737e8d608f70319ee9c954f1048fc9f6 [0,1,0,0,0,0|2,0,0]=3 2875 B12R0.276 CCSC(=O)OCOCC(C)OC df1e54543fdf0ccc72ac5a26e32b97a8 [0,1,0,0,0,0|3,0,0]=4 2876 B12R0.276 CCSC(=O)OCOCC(Cl)CCl 40dfd7f2fb4e5f8887de98a57148e7fb [0,1,0,0,0,0|3,0,0]=4 2877 B12R0.276 CCSC(=O)OCOCC(S)CS bb5a7790fa9094a0903effbef05cb3aa [0,1,0,0,0,0|3,0,0]=4 2878 B12R0.276 CCSC(=O)OCOC[C@@H](C)CC 8a401127dd577af72ae336bc849b2aca [0,1,0,0,0,0|2,0,0]=3 2879 B12R0.276 CCSC(=O)OCOC[C@@H](C)OC 10bf4f3e778dccbbeae6a2e2a096dba2 [0,1,0,0,0,0|3,0,0]=4 2880 B12R0.276 CCSC(=O)OCOC[C@H](C)CC 087943ef20d3aa760d8dbc436337ca8e [0,1,0,0,0,0|2,0,0]=3 2881 B12R0.276 CCSC(=O)OCOC[C@H](C)OC a870cf66788f84c7e17a223cf15926ca [0,1,0,0,0,0|3,0,0]=4 2882 B12R0.276 CC[C@H](C)CCCOC(C)COC 11241e4536e7c719b3c233178cef906d [0,1,0,0,0,0|2,0,1]=4 2883 B12R0.276 CC[C@H](C)CCOCC(=O)COC b0edb295c3119f3756a3b88562b66801 [0,1,0,0,0,0|3,0,0]=4 2884 B12R0.276 COCC(=O)NCCCC(C)CO 1296c0f4ce7d415377a0ae8d20c856a9 [0,1,0,0,0,0|3,0,0]=4 2885 B12R0.276 CSCC(=O)NCCCC(C)CO c9deda695b4db51554ebd709e90bf852 [0,1,0,0,0,0|3,0,0]=4 2886 B12R0.277 C=C(Br)CCOCOC(=O)CCC cb5ac057055f2869d97228fe29112a65 [0,1,0,0,0,0|1,0,2]=4 2887 B12R0.277 C=C(Br)COCCOC(=O)CCC 3bb820b41eb69f1a29278d584ca29d72 [0,1,0,0,0,0|1,0,2]=4 2888 B12R0.277 C=C(C)CCCOCC(=O)CCC 15567e2063ef3c8dbad61b4f8844c85f [0,1,0,0,0,0|2,0,1]=4 2889 B12R0.277 C=C(C)CCNCOC(=O)CCC 718f135d0ef334333fd3d85719ddd1c0 [0,1,0,0,0,0|1,0,1]=3 2890 B12R0.277 C=C(C)CCNCOC(=O)OCC 24ac607a207c8d224770cdaf2d9690de [0,1,0,0,0,0|2,0,1]=4 2891 B12R0.277 C=C(C)CCNCOC(=O)SCC 6cfc3fde95121509f57e2d2ad4e190c2 [0,1,0,0,0,0|2,0,1]=4 2892 B12R0.277 C=C(C)CCOCOC(=O)CCC dc0907f83cbf3c0caf4cc1f7d4caf09e [0,1,0,0,0,0|1,0,1]=3 2893 B12R0.277 C=C(C)CCOCOC(=O)OCC c76cd24d36225b28eb3f7407c98979b1 [0,1,0,0,0,0|2,0,1]=4 2894 B12R0.277 C=C(C)CCOCOC(=O)SCC c0c3e88b036c45d58401a8432d19e986 [0,1,0,0,0,0|2,0,1]=4 2895 B12R0.277 C=C(C)COCCOC(=O)CCC 58eca89829538ab29e3630ff0e963d23 [0,1,0,0,0,0|1,0,1]=3 2896 B12R0.277 C=C(Cl)COCCOC(=O)CCC 0c376834088fc7e065fade1bdf40eff4 [0,1,0,0,0,0|1,0,2]=4 2897 B12R0.277 C=C(F)COCCOC(=O)CCC a2abe5d12d431cb48e14c4218dab1305 [0,1,0,0,0,0|1,0,2]=4 2898 B12R0.277 CC(C)OCCCNC(=O)CCF 42b84f18bbb6ef8b89d9459a0f5371d2 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[0,1,0,0,0,0|2,0,0]=3 2910 B12R0.277 CCCC(=O)COCCCN(C)C 112ba11ee26b51a3bdb59e382ee481f3 [0,1,0,0,0,0|3,0,0]=4 2911 B12R0.277 CCCC(=O)COCCOC(C)C c5c4b49f543d5c91a603dfc580536f3a [0,1,0,0,0,0|3,0,0]=4 2912 B12R0.277 CCCC(=O)COCCSC(C)C 74eb5553f94685f9492cc589b608fe20 [0,1,0,0,0,0|3,0,0]=4 2913 B12R0.277 CCCC(=O)NCCCCC(=O)N af77c9a5c874ca907535496a4bb9fb31 [0,1,0,0,0,0|2,0,1]=4 2914 B12R0.277 CCCC(=O)NCCCCC(F)F 86234ea576e3843c61c39e5a6683f5b2 [0,1,0,0,0,0|2,0,0]=3 2915 B12R0.277 CCCC(=O)NCCCCN(C)C 4182b619231052c36819d74b2518b6d1 [0,1,0,0,0,0|2,0,0]=3 2916 B12R0.277 CCCC(=O)NCCCNC(=O)C 4413e7d114a94d9c7c76635d835c1c37 [0,1,0,0,0,0|2,0,1]=4 2917 B12R0.277 CCCC(=O)NCCCOC(C)C e987865254bd6cf15cecf0cd05fee4e5 [0,1,0,0,0,0|2,0,0]=3 2918 B12R0.277 CCCC(=O)NCCCOC(F)F 6d8608ae862494b150c918af623673b0 [0,1,0,0,0,0|3,0,0]=4 2919 B12R0.277 CCCC(=O)NCCCSC(C)C 85f371fa37a3cc4b41a944250493f1d6 [0,1,0,0,0,0|2,0,0]=3 2920 B12R0.277 CCCC(=O)OCCOCC(=O)N c474b6eee5b5952a20b9222f9dba0507 [0,1,0,0,0,0|2,0,1]=4 2921 B12R0.277 CCCC(=O)OCCOCC(=O)O 89933d1110b8ce948602a9794348091c [0,1,0,0,0,0|2,0,1]=4 2922 B12R0.277 CCCC(=O)OCCOCC(C)C 0d6c23e4e2c081651a9e8ed36175fa54 [0,1,0,0,0,0|1,0,0]=2 2923 B12R0.277 CCCC(=O)OCCOCC(F)F 1caa82f8d0ed1abd173f33246a405d3f [0,1,0,0,0,0|2,0,0]=3 2924 B12R0.277 CCCC(=O)OCCOCN(C)C 027b2bfe613a9d2ec218fb7953e92d44 [0,1,0,0,0,0|2,0,0]=3 2925 B12R0.277 CCCC(=O)OCCOC[N+](=O)[O-] ac98ac548858c3c42d7cabad78781839 [0,1,0,0,0,0|3,0,0]=4 2926 B12R0.277 CCCC(=O)OCNCC=C(C)C b112877f73d041d55e57c042c580e903 [0,1,0,0,0,0|1,0,2]=4 2927 B12R0.277 CCCC(=O)OCNCCC(=O)N 3d11c637d10108d765759ffb9431555f [0,1,0,0,0,0|2,0,1]=4 2928 B12R0.277 CCCC(=O)OCNCCC(=O)O 97fec4354faadaaf08fb19f425c27587 [0,1,0,0,0,0|2,0,1]=4 2929 B12R0.277 CCCC(=O)OCNCCC(=S)N b734898188ae6054474fda8bbdfbe1c2 [0,1,0,0,0,0|2,0,1]=4 2930 B12R0.277 CCCC(=O)OCNCCC(C)C 3965b5f710098be8254116ed16eb6bd2 [0,1,0,0,0,0|1,0,0]=2 2931 B12R0.277 CCCC(=O)OCNCCC(C)O 850e8804b12e9cd489ab622800f4ee35 [0,1,0,0,0,0|1,0,0]=2 2932 B12R0.277 CCCC(=O)OCNCCC(F)F ca2146e7818c5ca6da1d645c0422ed3c [0,1,0,0,0,0|2,0,0]=3 2933 B12R0.277 CCCC(=O)OCNCCN(C)C 080c392b40d7582f1077e90c935a8a25 [0,1,0,0,0,0|2,0,0]=3 2934 B12R0.277 CCCC(=O)OCNCCS(=O)C dc2a7a2c1ee143246bad16387828f477 [0,1,0,0,0,0|2,0,0]=3 2935 B12R0.277 CCCC(=O)OCNCCS(=O)O 6cc732e49baca539a6222a77fcc97d26 [0,1,0,0,0,0|3,0,0]=4 2936 B12R0.277 CCCC(=O)OCNCC[C@@H](C)O cb4e9dadadc81a8e9356bc9ea2288ae0 [0,1,0,0,0,0|1,0,0]=2 2937 B12R0.277 CCCC(=O)OCNCC[C@H](C)O 23dd082ae5f991062ed03dac0cee15c4 [0,1,0,0,0,0|1,0,0]=2 2938 B12R0.277 CCCC(=O)OCOC/C=C(/C)\Cl 3ae90d4a983d00c6fd13f100686286bf [0,1,0,0,0,0|1,0,2]=4 2939 B12R0.277 CCCC(=O)OCOC/C=C(/C)\I 5e13c77e14d519b86a39064f2ebbe0dd [0,1,0,0,0,0|1,0,2]=4 2940 B12R0.277 CCCC(=O)OCOCC=C(C)C e1898a86800b705380c4ef0ee89e0c48 [0,1,0,0,0,0|1,0,2]=4 2941 B12R0.277 CCCC(=O)OCOCC=C(C)I b64d7b4966827a68d708110b6dc7f332 [0,1,0,0,0,0|1,0,2]=4 2942 B12R0.277 CCCC(=O)OCOCCC(=O)C bb4b9eb1eb38071e94a026175dfc08dd [0,1,0,0,0,0|1,0,1]=3 2943 B12R0.277 CCCC(=O)OCOCCC(=O)N c08ba1a9afe697745a6303f333444bbb [0,1,0,0,0,0|2,0,1]=4 2944 B12R0.277 CCCC(=O)OCOCCC(=O)O c56a4b85a15880f8b5907394159ffc2a [0,1,0,0,0,0|2,0,1]=4 2945 B12R0.277 CCCC(=O)OCOCCC(C)C e62877fa3856a6a73a06deeca331957a [0,1,0,0,0,0|1,0,0]=2 2946 B12R0.277 CCCC(=O)OCOCCC(F)F a2041d77db6335b0700c39d642b79ca3 [0,1,0,0,0,0|2,0,0]=3 2947 B12R0.277 CCCC(=O)OCOCCN(C)C 0e2366aff4a3161a7f9834838f6be9a3 [0,1,0,0,0,0|2,0,0]=3 2948 B12R0.277 CCCC(=O)OCOCCS(=O)C 2672d65c32e91aa2e381b7e14655f9c1 [0,1,0,0,0,0|2,0,0]=3 2949 B12R0.277 CCCC(=O)OCOCC[N+](=O)[O-] 982e9c538f020dbc530036c1a470f02a [0,1,0,0,0,0|3,0,0]=4 2950 B12R0.277 CCCC(=O)OCOCNC(=O)C 9aa76d62919081d9433e291ec61d7e09 [0,1,0,0,0,0|2,0,1]=4 2951 B12R0.277 CCCC(=S)OCCCCC(=O)C a2e82c96d735074b4c0a092227d3252c [0,1,0,0,0,0|0,1,1]=3 2952 B12R0.277 CCCC(=S)OCCCCC(=O)N 800bf5053b8558c386b96f0525fbd8b5 [0,1,0,0,0,0|1,1,1]=4 2953 B12R0.277 CCCC(=S)OCCCCC(=O)O 6070e263c9934b8f3ce4ebb547e550c1 [0,1,0,0,0,0|1,1,1]=4 2954 B12R0.277 CCCC(=S)OCCCCC(C)C f4a18bc73988d6655c431a725b3b188c [0,1,0,0,0,0|0,1,0]=2 2955 B12R0.277 CCCC(=S)OCCCCN(C)C d2debb01878c9285baee020a60c892f1 [0,1,0,0,0,0|1,1,0]=3 2956 B12R0.277 CCCC(=S)OCCCNC(=O)C efad9d73bec3dc1fc8f9d731bcd780b2 [0,1,0,0,0,0|1,1,1]=4 2957 B12R0.277 CCCC(=S)OCCCOC(=O)C 9c8f2b39e565f97aa8f192172b23d14d [0,1,0,0,0,0|1,1,1]=4 2958 B12R0.277 CCCC(=S)OCCCOC(=S)C c10a3e328666320fc7aafb846ae44e73 [0,1,0,0,0,0|1,1,1]=4 2959 B12R0.277 CCCC(=S)OCCCSC(=O)C 2cf0c460925cbd211ea959bbe9eda027 [0,1,0,0,0,0|1,1,1]=4 2960 B12R0.277 CCCC(=S)OCCOCC(C)C 0b3dcec2de2387c3c681a7dff96718b9 [0,1,0,0,0,0|1,1,0]=3 2961 B12R0.277 CCCC(=S)OCCOCC(F)F ccbc9febe843812b74c90a5670ae8277 [0,1,0,0,0,0|2,1,0]=4 2962 B12R0.277 CCCC(C)NCCCCC(C)C 6ce220d7c48a3f67fbf5c6324e6a048c [0,1,0,0,0,0|2,0,1]=4 2963 B12R0.277 CCCC(C)NCCCCC(C)O 499a1caec8002a613b9d527e927365b7 [0,1,0,0,0,0|2,0,1]=4 2964 B12R0.277 CCCC(C)NCCCC[C@@H](C)O 223e61083955024fa1b57fd6a35cffe0 [0,1,0,0,0,0|2,0,1]=4 2965 B12R0.277 CCCC(C)OCCCCC(=O)C 9dbd5df0d94253a9bce24f8736363f9a [0,1,0,0,0,0|1,0,2]=4 2966 B12R0.277 CCCC(C)OCCCCC(C)C 78d3712ca26412aee34799bb98d1f532 [0,1,0,0,0,0|1,0,1]=3 2967 B12R0.277 CCCC(C)OCCCCN(C)C b27d10c4307554b0b76c04d7e64c02ce [0,1,0,0,0,0|2,0,1]=4 2968 B12R0.277 CCCC(C)OCCCOC(C)C 3bce41277ad645dd6168acaaf2bf49bc [0,1,0,0,0,0|2,0,1]=4 2969 B12R0.277 CCCC(C)OCCCSC(C)C 1576a083c1e7ae9d52b6ffe0042f0108 [0,1,0,0,0,0|2,0,1]=4 2970 B12R0.277 CCCC(C)OCCOCC(C)C 710b673b99e4a963f4cb00348a264b6d [0,1,0,0,0,0|2,0,1]=4 2971 B12R0.277 CCCC(C)OCCSCC(C)C c60b57ab36ea118e35c55f6ba44bbfda [0,1,0,0,0,0|2,0,1]=4 2972 B12R0.277 CCCN(C)CCCCCC(C)C 2bb251bf02baa566bc1c6fa1ef7e8e89 [0,1,0,0,0,0|3,0,0]=4 2973 B12R0.277 CCC[C@@H](C)OCCCCC(=O)C 7248a6fb31744d0b559a9ff3aaf92f41 [0,1,0,0,0,0|1,0,2]=4 2974 B12R0.277 CCC[C@@H](C)OCCCCC(C)C ba703a8dbc150d293dd063086b33a27d [0,1,0,0,0,0|1,0,1]=3 2975 B12R0.277 CCC[C@@H](C)OCCCCN(C)C 6a121b1d08033a1657888355f0890bb5 [0,1,0,0,0,0|2,0,1]=4 2976 B12R0.277 CCC[C@@H](C)OCCOCC(C)C c298896749fae127bb9d62141dfbdcf9 [0,1,0,0,0,0|2,0,1]=4 2977 B12R0.277 CCC[C@H](C)NCCCCC(C)C e7ff6df3b3a6ad0bac7a38410af0ad17 [0,1,0,0,0,0|2,0,1]=4 2978 B12R0.277 CCC[C@H](C)NCCCCC(C)O 0c6cd091dec852273c726a6c8ffb6dd6 [0,1,0,0,0,0|2,0,1]=4 2979 B12R0.277 CCC[C@H](C)NCCCC[C@@H](C)O 71d1542f2b8e67e4608a724095891999 [0,1,0,0,0,0|2,0,1]=4 2980 B12R0.277 CCC[C@H](C)OCCCCC(=O)C ac1027ae345aef78f745b2c44295b221 [0,1,0,0,0,0|1,0,2]=4 2981 B12R0.277 CCC[C@H](C)OCCCCC(C)C ab1f946a7b6a9f6e01e7458e8b303e53 [0,1,0,0,0,0|1,0,1]=3 2982 B12R0.277 CCC[C@H](C)OCCCCN(C)C bcef5bf14f5163308a6a0868f59c1b6f [0,1,0,0,0,0|2,0,1]=4 2983 B12R0.277 CCC[C@H](C)OCCOCC(C)C 2f0b7337b13ee9572ef847599ab8baab [0,1,0,0,0,0|2,0,1]=4 2984 B12R0.277 CCNC(=O)CCNCCC(C)C 0c1ff574b56eb1349559660fff5635da [0,1,0,0,0,0|3,0,0]=4 2985 B12R0.277 CCNC(=O)CCNCCC(C)O bcdeb67ab908eee44ca848a407f3ab75 [0,1,0,0,0,0|3,0,0]=4 2986 B12R0.277 CCNC(=O)CCNCC[C@@H](C)O ec0ab9d2c8c6918d6a1fa6425555f5d0 [0,1,0,0,0,0|3,0,0]=4 2987 B12R0.277 CCNC(=O)CCNCC[C@H](C)O 3e9ef350420b5fdb373d88c2d5b9968e [0,1,0,0,0,0|3,0,0]=4 2988 B12R0.277 CCNC(=O)CCOCCC(C)C ad0d4297976c009ca2f0904c79866338 [0,1,0,0,0,0|3,0,0]=4 2989 B12R0.277 CCNC(=O)CNCCCC(C)C 796833fb5f98772806b7f56bfd91a86a [0,1,0,0,0,0|3,0,0]=4 2990 B12R0.277 CCNC(=O)CNCCCC(C)O e783a7c58886e23e2fb89c4e95dbfc2d [0,1,0,0,0,0|3,0,0]=4 2991 B12R0.277 CCNC(=O)COCCCC(C)C a86274b222a3444b55da3f452ef4a38a [0,1,0,0,0,0|3,0,0]=4 2992 B12R0.277 CCOC(=O)CCCCOC(C)C f3f61d767de38b4c202188e052cd53f4 [0,1,0,0,0,0|3,0,0]=4 2993 B12R0.277 CCOC(=O)CCCNCC(C)C 37577ea8273c37fa0f024c5a801b3c8a [0,1,0,0,0,0|3,0,0]=4 2994 B12R0.277 CCOC(=O)CCCNCC(C)O 2bb980d483073a5e1e64291d4c5a40af [0,1,0,0,0,0|3,0,0]=4 2995 B12R0.277 CCOC(=O)CCCNC[C@@H](C)O 9aa0a14ad291c6708b69afdfdd195db0 [0,1,0,0,0,0|3,0,0]=4 2996 B12R0.277 CCOC(=O)CCCNC[C@H](C)O d98fae9006d8a436fc0a00ba0cd457b6 [0,1,0,0,0,0|3,0,0]=4 2997 B12R0.277 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4eb7c9e4592967f892219ba0bc23e01f [0,1,0,0,0,0|3,0,0]=4 3097 B12R0.285 CCC[C@@H](C)OCCC(=O)OCC 845dbeed2a7367c3d713dc5fade4094e [0,1,0,0,0,0|3,0,0]=4 3098 B12R0.285 CCC[C@@H](C)OCOC(=O)SCC 998326df5e7c2ac2268817708e6d27ac [0,1,0,0,0,0|2,0,0]=3 3099 B12R0.285 CCC[C@H](C)NCCC(=O)NCC ff7e359c6ab95f6360aa8dbe5a2a2910 [0,1,0,0,0,0|3,0,0]=4 3100 B12R0.285 CCC[C@H](C)NCCC(=O)OCC ac34575d57cba3edf2cf71071b3095a9 [0,1,0,0,0,0|3,0,0]=4 3101 B12R0.285 CCC[C@H](C)NCOC(=O)OCC cb4603adaa36440d45ff80ade2cb3f58 [0,1,0,0,0,0|2,0,0]=3 3102 B12R0.285 CCC[C@H](C)NCOC(=O)SCC 59e7c4ecc4c6645a479c55c9040526dd [0,1,0,0,0,0|2,0,0]=3 3103 B12R0.285 CCC[C@H](C)OCCC(=O)NCC 468c14a36d6714c7029d996a345f0c8d [0,1,0,0,0,0|3,0,0]=4 3104 B12R0.285 CCC[C@H](C)OCCC(=O)OCC 21fccf0af59fae58f73d557abd6c2b9e [0,1,0,0,0,0|3,0,0]=4 3105 B12R0.285 CCC[C@H](C)OCOC(=O)SCC c7edebe00fc799b6528828770f5fd5f8 [0,1,0,0,0,0|2,0,0]=3 3106 B12R0.285 CCOC(=O)OCNC(C)CCO 3a76041e551c5e7f6ae974efb677dfa7 [0,1,0,0,0,0|3,0,0]=4 3107 B12R0.285 CCOC(=O)OCNC(C)COC d7e0cc747fc9f515bddd8ee37fb3e72c [0,1,0,0,0,0|3,0,0]=4 3108 B12R0.285 CCOC(=O)OCN[C@@H](C)CCO 152fa9de6c72831623f7ad2c440fb907 [0,1,0,0,0,0|3,0,0]=4 3109 B12R0.285 CCOC(=O)OCN[C@@H](C)COC cbf50c16c0ed30eac46095edac5e3e88 [0,1,0,0,0,0|3,0,0]=4 3110 B12R0.285 CCOC(=O)OCN[C@H](C)CCO d8229f30d5b363655f1412c7ecfc6613 [0,1,0,0,0,0|3,0,0]=4 3111 B12R0.285 CCOC(=O)OCN[C@H](C)COC fd0986513f3b902784f033d8f5cf0b55 [0,1,0,0,0,0|3,0,0]=4 3112 B12R0.285 CCSC(=O)OCNC(C)CCO 76600b6d6f0a93925f63535589691119 [0,1,0,0,0,0|3,0,0]=4 3113 B12R0.285 CCSC(=O)OCNC(C)COC b783530511aff6cfe099a0d51d089ede [0,1,0,0,0,0|3,0,0]=4 3114 B12R0.285 CCSC(=O)OCN[C@@H](C)CCO daa4afe42cc4432216c305c71dbe9483 [0,1,0,0,0,0|3,0,0]=4 3115 B12R0.285 CCSC(=O)OCN[C@@H](C)COC 6cc916837c4d1af7edb842d505fc00da [0,1,0,0,0,0|3,0,0]=4 3116 B12R0.285 CCSC(=O)OCN[C@H](C)CCO c88c08d163dcc33f1fb9a1d240ba4f0b [0,1,0,0,0,0|3,0,0]=4 3117 B12R0.285 CCSC(=O)OCN[C@H](C)COC 825c6ac300fbbaef037b0aa2ef3c20b4 [0,1,0,0,0,0|3,0,0]=4 3118 B12R0.285 CCSC(=O)OCOC(C)COC 2c55a56ba71994a237b4332b25664143 [0,1,0,0,0,0|3,0,0]=4 3119 B12R0.285 CCSC(=O)OCOC(C)CSC fa9779495af71415de8daa589a6ce164 [0,1,0,0,0,0|3,0,0]=4 3120 B12R0.285 CCSC(=O)OCO[C@@H](C)COC 0442640a04b81b14472e03344b3d0be4 [0,1,0,0,0,0|3,0,0]=4 3121 B12R0.285 CCSC(=O)OCO[C@H](C)COC 80d811131b16087c1e4bf1864c96ed57 [0,1,0,0,0,0|3,0,0]=4 3122 B12R0.434 CCCS(=O)(=O)CCCCNCC 640ea25f563f701b00742f3e49f02797 [0,1,0,0,0,0|3,0,0]=4 3123 B12R1.28 CCCCCN1CCCC(=O)C1 e51b80ae756b9d9a19691a7d6d1a8d18 [0,0,0,1,0,0|2,0,0]=3 3124 B12R1.28 CCCCCN1CCNC(=O)C1 d71fc94f71f437862d025ac8c8b2734b [0,0,0,1,0,0|3,0,0]=4 3125 B12R1.28 CCCCCN1CCOC(=O)C1 7b59bebb6d79e62d43b56b265264a7f8 [0,0,0,1,0,0|3,0,0]=4 3126 B12R1.28 CCCCNC1CCCC(=O)C1 b3434e6ae01328abe266df8a438d00a0 [0,0,0,1,0,0|2,0,0]=3 3127 B12R1.28 CCCCNC1CCNC(=O)C1 6d8455654c4c5b07b0f845f3214de95f [0,0,0,1,0,0|3,0,0]=4 3128 B12R1.28 CCCCN[C@@H]1CCNC(=O)C1 843bcc771d28a4fbe91a14adad253d55 [0,0,0,1,0,0|3,0,0]=4 3129 B12R1.28 CCCCN[C@H]1CCNC(=O)C1 54d2d41788df35cfb1772d86404c7831 [0,0,0,1,0,0|3,0,0]=4 3130 B12R1.28 CCCCOC1=CC(=O)CCC1 5d56f0e7fc6d1c862492bdc6eca61010 [0,0,0,1,0,0|2,0,1]=4 3131 B12R1.28 CCCCOC1C=C(CCC1)C e2e43c0cd4f6374a9c4553e97e99e9d0 [0,0,0,1,0,0|3,0,0]=4 3132 B12R1.28 CCCCOC1CCCC(=O)C1 bf043af5b4aeac8f33e9dc0bf6cd4761 [0,0,0,1,0,0|2,0,0]=3 3133 B12R1.28 CCCCOC1CCNC(=O)C1 9132d818902ebe3882639b508c29a80b [0,0,0,1,0,0|3,0,0]=4 3134 B12R1.28 CCCCO[C@@H]1CCNC(=O)C1 74e30496240abbe2d3725fc24db5e80f [0,0,0,1,0,0|3,0,0]=4 3135 B12R1.28 CCCCO[C@H]1CCNC(=O)C1 e1142b7992ef648d1dc34aad56bcf4bb [0,0,0,1,0,0|3,0,0]=4 3136 B12R1.28 CCCNCC1CCCC(=O)N1 a9eaae5aab3cd0e87b11bb0dc817f0d5 [0,0,0,1,0,0|2,0,0]=3 3137 B12R1.28 CCCNCC1CCNC(=O)C1 66b29e23199310c144bf735f8a6747d4 [0,0,0,1,0,0|3,0,0]=4 3138 B12R1.28 CCCOCC1CCCC(=O)C1 c6e6f3ef9305507b0c23e35e7961f245 [0,0,0,1,0,0|2,0,0]=3 3139 B12R1.28 CCCOCC1CCCC(=O)N1 d5af32a49d0e7a4fa330977d8cfbd2a5 [0,0,0,1,0,0|2,0,0]=3 3140 B12R1.28 CCCOCC1CCNC(=O)C1 dec4975dfa57cd8a09d90e575f5ffb60 [0,0,0,1,0,0|3,0,0]=4 3141 B12R1.28 CCCOCC1COCC(=O)N1 62dceb8b605ac98bfcf6ffaf7b1f44cd [0,0,0,1,0,0|3,0,0]=4 3142 B12R1.28 CCCOC[C@@H]1CCCC(=O)N1 07b3982aee0fc054cb605d90e0ad4c36 [0,0,0,1,0,0|2,0,0]=3 3143 B12R1.28 CCCOC[C@@H]1COCC(=O)N1 99a1cca838f94949b2766e80bf4e5112 [0,0,0,1,0,0|3,0,0]=4 3144 B12R1.28 CCCOC[C@H]1CCCC(=O)N1 be60bf160650b163d22b518bac9c0c02 [0,0,0,1,0,0|2,0,0]=3 3145 B12R1.28 CCCOC[C@H]1COCC(=O)N1 393961166d443c9a55678617bd21bb6d [0,0,0,1,0,0|3,0,0]=4 3146 B12R1.28 CCOCCN1CCCC(=O)C1 9e02a20c17a8e8464184bf5cbff18252 [0,0,0,1,0,0|3,0,0]=4 3147 B12R1.28 CCSCCN1CCCC(=O)C1 82e1997ed04ffcd50a4f12f115b7b645 [0,0,0,1,0,0|3,0,0]=4 3148 B12R1.28 COCCCN1CCCC(=O)C1 2aa5680b08a1e6b29cc1abd6e6cc7add [0,0,0,1,0,0|3,0,0]=4 3149 B12R1.28 COCCNC1CCCC(=O)C1 a31546639f44375468bd3ffd72509015 [0,0,0,1,0,0|3,0,0]=4 3150 B12R1.28 COCCOC1CCCC(=O)C1 e67fe5bd4f655f4a6dbb6199428a92ee [0,0,0,1,0,0|3,0,0]=4 3151 B12R1.28 COCNCC1CCCC(=O)N1 60da5f2a647bfca063268c7da015ba8f [0,0,0,1,0,0|3,0,0]=4 3152 B12R1.28 COCOCC1CCCC(=O)C1 1c43ed51fe176b8fc77b2f229a8a78ce [0,0,0,1,0,0|3,0,0]=4 3153 B12R1.28 COCOCC1CCCC(=O)N1 f5ef95501f2c9654c8d6f86a92c8dd11 [0,0,0,1,0,0|3,0,0]=4 3154 B12R1.28 COCOC[C@@H]1CCCC(=O)N1 b13672b46b270811f0e273cf9cbd7c5b [0,0,0,1,0,0|3,0,0]=4 3155 B12R1.28 COCOC[C@H]1CCCC(=O)N1 98ed857c3fac0400e75845c69dca3dd2 [0,0,0,1,0,0|3,0,0]=4 3156 B12R1.28 CSCCCN1CCCC(=O)C1 986473ce38a13ddc86f46d29d4c1c81d [0,0,0,1,0,0|3,0,0]=4 3157 B12R1.28 CSCCNC1CCCC(=O)C1 8f94e334eddfadd315b06b1c7a806911 [0,0,0,1,0,0|3,0,0]=4 3158 B12R1.28 CSCCOC1CCCC(=O)C1 875ef6ea693168c97b4f53830bebc762 [0,0,0,1,0,0|3,0,0]=4 3159 B12R1.28 CSCNCC1CCCC(=O)N1 593851a7c4afab5d4549724d6c63639e [0,0,0,1,0,0|3,0,0]=4 3160 B12R1.28 CSCOCC1CCCC(=O)C1 e5e1411a8706b14ffeab16ca3dcb8758 [0,0,0,1,0,0|3,0,0]=4 3161 B12R1.28 CSCOCC1CCCC(=O)N1 cb62c6870adf4b7ccdc50bc30987477b [0,0,0,1,0,0|3,0,0]=4 3162 B12R1.28 CSCOC[C@@H]1CCCC(=O)N1 046e295c019ff8af91ac7e2c0be17a36 [0,0,0,1,0,0|3,0,0]=4 3163 B12R1.28 CSCOC[C@H]1CCCC(=O)N1 a07f80dbed35b33650e2ccd100b3cc67 [0,0,0,1,0,0|3,0,0]=4 3164 B12R1.28 O=C1CCCC(C1)COCCF 42ba2b550ad17cb360c4dcb0547ca145 [0,0,0,1,0,0|3,0,0]=4 3165 B12R1.28 O=C1CCCC(C1)COCCS e5963e94e0783e0463c974a9d03e12fa [0,0,0,1,0,0|3,0,0]=4 3166 B12R1.28 O=C1CCCC(C1)NCCCCl 21b1931cefc0f213a4ea4180fa1e914b [0,0,0,1,0,0|3,0,0]=4 3167 B12R1.28 O=C1CCCC(C1)NCCCO fcfb84412452a98820cb8a683deeb35c [0,0,0,1,0,0|3,0,0]=4 3168 B12R1.28 O=C1CCCC(C1)OCCCF 6593c92253b7cb7fb0095b40afaebc86 [0,0,0,1,0,0|3,0,0]=4 3169 B12R1.28 O=C1CCCC(C1)OCCCS 195d2ba0a4094d0dfbce91aa7894b894 [0,0,0,1,0,0|3,0,0]=4 3170 B12R1.28 O=C1CCCC(N1)CNCCF 80fc4cccfaab456a44b5a820f6e42464 [0,0,0,1,0,0|3,0,0]=4 3171 B12R1.28 O=C1CCCC(N1)CNCCO a4e5ff373fbf123fe6f998fe88cd3e62 [0,0,0,1,0,0|3,0,0]=4 3172 B12R1.28 O=C1CCCC(N1)CNCCS 74d9a8569e71148562edae8235db64fa [0,0,0,1,0,0|3,0,0]=4 3173 B12R1.28 O=C1CCCC(N1)COCCF a5c71f6f39046a9a035bf6ef6fb5a1f1 [0,0,0,1,0,0|3,0,0]=4 3174 B12R1.28 O=C1CCCC(N1)COCCS bb4de8c98797c0f21227fd2417ebb0f6 [0,0,0,1,0,0|3,0,0]=4 3175 B12R1.28 O=C1CCCN(C1)CCCCF e8b03ef912415c5f647e67fdb1af11ff [0,0,0,1,0,0|3,0,0]=4 3176 B12R1.28 O=C1CCCN(C1)CCCCO 8d9802ebfb20cc6a23de907d129887ae [0,0,0,1,0,0|3,0,0]=4 3177 B12R1.28 O=C1CCC[C@@H](N1)COCCF 82ad8fb5c89fb5366a51fde7b25dcc4b [0,0,0,1,0,0|3,0,0]=4 3178 B12R1.28 O=C1CCC[C@@H](N1)COCCS a883ae6a7ec038d9fea409897eff3f3c [0,0,0,1,0,0|3,0,0]=4 3179 B12R1.28 O=C1CCC[C@H](N1)COCCF 90c2af8ef563674471211af53991193d [0,0,0,1,0,0|3,0,0]=4 3180 B12R1.28 O=C1CCC[C@H](N1)COCCS ac300f907cd4cc9b71c9914534e79555 [0,0,0,1,0,0|3,0,0]=4 3181 B12R1.32 CCCC(=O)CN1CCCOC1 769eaba421635c6626f243dc79705477 [0,0,0,1,0,0|3,0,0]=4 3182 B12R1.32 CCCC(=O)CN1CCCSC1 29efc3778fda0b4d44ba2051f93b502a [0,0,0,1,0,0|3,0,0]=4 3183 B12R1.32 CCCC(=O)CN1CCOCC1 f5799ae5df7eb88d40e3ffbf446b112e [0,0,0,1,0,0|3,0,0]=4 3184 B12R1.32 CCCC(=O)CN1CCSCC1 c1b16b68ca3cb245bab318447b25167e [0,0,0,1,0,0|3,0,0]=4 3185 B12R1.32 CCCC(=O)NC1C=CCCC1 36c95ec18fdc016256cc30fadeb7012e [0,0,0,1,0,0|1,0,2]=4 3186 B12R1.32 CCCC(=O)NC1CCCOC1 8c81ab714233f6309bdde7ce1479873c [0,0,0,1,0,0|2,0,0]=3 3187 B12R1.32 CCCC(=O)NC1CCOCC1 6f14188852f524783821ecb37569b134 [0,0,0,1,0,0|2,0,0]=3 3188 B12R1.32 CCCC(=O)NC1CSCSC1 62d1ab3db3b793c95a9e431bb602204f [0,0,0,1,0,0|3,0,0]=4 3189 B12R1.32 CCCC(=O)N[C@@H]1CCCOC1 2f289e113c6d947829d2418a1a352ab5 [0,0,0,1,0,0|2,0,0]=3 3190 B12R1.32 CCCC(=O)N[C@H]1CCCOC1 2030bcf89c24fc3619ae216b76b0bc8d [0,0,0,1,0,0|2,0,0]=3 3191 B12R1.32 CCCC(=S)OC1C=CCCC1 45892db4442e317a429f03e56f679402 [0,0,0,1,0,0|0,1,2]=4 3192 B12R1.32 CCCC(=S)OC1CCCCC1 052dfad4b5172ffbcf806d81aaa08654 [0,0,0,1,0,0|0,1,0]=2 3193 B12R1.32 CCCC(=S)OC1CCCCO1 340a0f5428dbc093119df15d9300674d [0,0,0,1,0,0|1,1,0]=3 3194 B12R1.32 CCCC(=S)OC1CCCOC1 116116d530abcf3fbd9a017c1fa50468 [0,0,0,1,0,0|1,1,0]=3 3195 B12R1.32 CCCC(=S)OC1CCOCC1 d88820189a5e921771b39c12b75b929b [0,0,0,1,0,0|1,1,0]=3 3196 B12R1.32 CCCC(=S)OC1CCSCC1 3cb7109ba54f2189e5fe89b900282b64 [0,0,0,1,0,0|1,1,0]=3 3197 B12R1.32 CCCC(C)NC1CCCCC1 fd6b330aa94d12dd45e1ac084e5673e7 [0,0,0,1,0,0|2,0,1]=4 3198 B12R1.32 CCCC(C)OC1CCCCC1 421ec06f6239802e61e95aa5c2ba8491 [0,0,0,1,0,0|1,0,1]=3 3199 B12R1.32 CCCC(C)OC1CCCCO1 7b43abb64fce02bc6b9307b7cf4f459e [0,0,0,1,0,0|2,0,1]=4 3200 B12R1.32 CCCC(C)OC1CCCOC1 cdf31c4b692c834029e87b66c6440262 [0,0,0,1,0,0|2,0,1]=4 3201 B12R1.32 CCCC(C)OC1CCCSC1 2677329b1a3638e36c235defe3685b6c [0,0,0,1,0,0|2,0,1]=4 3202 B12R1.32 CCCC(C)OC1CCOCC1 be25720403b39ecb8a59dbcb9f1f70d7 [0,0,0,1,0,0|2,0,1]=4 3203 B12R1.32 CCCC(C)OC1CCSCC1 3fa7701469f7c29780674338ab3a7f3e [0,0,0,1,0,0|2,0,1]=4 3204 B12R1.32 CCCC(C)O[C@@H]1CCCOC1 4ba6678d835830035bd4960f48bde569 [0,0,0,1,0,0|2,0,1]=4 3205 B12R1.32 CCCC(C)O[C@H]1CCCOC1 65a78fdb58054f881e0e0d8825bd74d9 [0,0,0,1,0,0|2,0,1]=4 3206 B12R1.32 CCCN(C)CC1CCCCC1 c73114abdeacf9657d214a90a6d7b8d7 [0,0,0,1,0,0|3,0,0]=4 3207 B12R1.32 CCC[C@@H](C)OC1CCCCC1 0908953637e9ad99eed05a6ba5f9fd49 [0,0,0,1,0,0|1,0,1]=3 3208 B12R1.32 CCC[C@@H](C)OC1CCCCO1 00c964e0e50416f20373a258c181f5da [0,0,0,1,0,0|2,0,1]=4 3209 B12R1.32 CCC[C@@H](C)OC1CCCOC1 b5a4cb3870440a645b13c1afbf18fcf5 [0,0,0,1,0,0|2,0,1]=4 3210 B12R1.32 CCC[C@@H](C)OC1CCOCC1 7f4f54db3bbb6a70e5a83e6126dfc2cd [0,0,0,1,0,0|2,0,1]=4 3211 B12R1.32 CCC[C@H](C)NC1CCCCC1 31d714bbfcf22d75b3d339da0ed0a22c [0,0,0,1,0,0|2,0,1]=4 3212 B12R1.32 CCC[C@H](C)OC1CCCCC1 548925c9b78c86f3c2d2710661e0cefc [0,0,0,1,0,0|1,0,1]=3 3213 B12R1.32 CCC[C@H](C)OC1CCCCO1 a8e121ee96425e0c8b10074314ba7370 [0,0,0,1,0,0|2,0,1]=4 3214 B12R1.32 CCC[C@H](C)OC1CCCOC1 fcaba58844fb5234c7d59de39a3ba450 [0,0,0,1,0,0|2,0,1]=4 3215 B12R1.32 CCC[C@H](C)OC1CCOCC1 736cc675ace42dcd983e624e5f4cae89 [0,0,0,1,0,0|2,0,1]=4 3216 B12R1.32 COCC(=O)NC1CCCOC1 c9578f1ff232ae1898cb1cdcafc0a7ba [0,0,0,1,0,0|3,0,0]=4 3217 B12R1.32 COCC(=O)NC1CCOCC1 be32b9ad70078ff928f6a1e40c7facc5 [0,0,0,1,0,0|3,0,0]=4 3218 B12R1.32 COCC(=O)NC1CCSCC1 601c1ea486ece73d58e3acd0d5d38587 [0,0,0,1,0,0|3,0,0]=4 3219 B12R1.32 COCC(=O)N[C@@H]1CCCOC1 aa053e09286adeb82f688f7cc0b8b84f [0,0,0,1,0,0|3,0,0]=4 3220 B12R1.32 COCC(=O)N[C@H]1CCCOC1 6cccbecaa43c08727213d3f8952221cb [0,0,0,1,0,0|3,0,0]=4 3221 B12R1.32 COCC(C)OC1CCCCC1 ac2d5a39369fa329afcc0c1c5aa1bc23 [0,0,0,1,0,0|2,0,1]=4 3222 B12R1.32 COC[C@@H](C)OC1CCCCC1 b50e912cd83c5243362a9acb8f05b35b [0,0,0,1,0,0|2,0,1]=4 3223 B12R1.32 COC[C@H](C)OC1CCCCC1 3ae53a8924dfad98a083fe7a33909e46 [0,0,0,1,0,0|2,0,1]=4 3224 B12R1.32 CSCC(=O)NC1CCOCC1 4be0bddb0f1ff65761641ff3237a1a33 [0,0,0,1,0,0|3,0,0]=4 3225 B12R1.32 CSCC(C)OC1CCCCC1 ff2688980389e235e97e2b84462bbb7b [0,0,0,1,0,0|2,0,1]=4 3226 B12R1.32 O=C(CCF)NC1CCCOC1 4068bb47cb9c1c218998fcdc422ebc0d [0,0,0,1,0,0|3,0,0]=4 3227 B12R1.32 O=C(CCF)NC1CCOCC1 f755fe8c999395cb65c66159b7fc08ee [0,0,0,1,0,0|3,0,0]=4 3228 B12R1.32 O=C(CCF)N[C@@H]1CCCOC1 a89b1ff51667ede61463ccb1e6703fd3 [0,0,0,1,0,0|3,0,0]=4 3229 B12R1.32 O=C(CCF)N[C@H]1CCCOC1 8d266dc8831e522f97ccdb0c8ae7479f [0,0,0,1,0,0|3,0,0]=4 3230 B12R1.32 O=C(CCO)NC1CCCOC1 7815abe65f0bc0de88afb50cfb647981 [0,0,0,1,0,0|3,0,0]=4 3231 B12R1.32 O=C(CCO)N[C@@H]1CCCOC1 c4fde646c5b29a9e63d0b96a55300ec9 [0,0,0,1,0,0|3,0,0]=4 3232 B12R1.32 O=C(CCO)N[C@H]1CCCOC1 eef40c3ca7e99ffb37279e0a7ff16844 [0,0,0,1,0,0|3,0,0]=4 3233 B12R1.32 O=C(CCS)NC1CCCOC1 ad74fbc71e5874cb255029aadc5f38ec [0,0,0,1,0,0|3,0,0]=4 3234 B12R1.32 O=C(CCS)NC1CCOCC1 97e2e26bf7970d831d97f3e306eeb168 [0,0,0,1,0,0|3,0,0]=4 3235 B12R1.32 O=C(CCS)N[C@@H]1CCCOC1 04c5b1d5b87ac8b9c3a041ec585ad0b5 [0,0,0,1,0,0|3,0,0]=4 3236 B12R1.32 O=C(CCS)N[C@H]1CCCOC1 c207270393ceeb781f3e0838b781f3ef [0,0,0,1,0,0|3,0,0]=4 3237 B12R1.37 CCCCCCNC1CCCC1 0a2afeaeb363174f39ac6fbfa4d778ce [0,0,0,1,0,0|2,0,1]=4 3238 B12R1.37 CCCCCCOC1C=CCC1 fb6fe820ee5aec5830927b27a5042c99 [0,0,0,1,0,0|1,0,2]=4 3239 B12R1.37 CCCCCCOC1CCCC1 ad37668a338fb8b33c00afd23f72169f [0,0,0,1,0,0|1,0,1]=3 3240 B12R1.37 CCCCCCOC1CCCO1 a784d5baf1031429a7cb4335edc7e840 [0,0,0,1,0,0|0,0,2]=3 3241 B12R1.37 CCCCCCOC1CCOC1 4bc607016c1f338de2331d89094c49c4 [0,0,0,1,0,0|2,0,1]=4 3242 B12R1.37 CCCCCCOC1CCSC1 2d256de2201b4353382c12c770cd4cb5 [0,0,0,1,0,0|2,0,1]=4 3243 B12R1.37 CCCCCCO[C@@H]1CCOC1 0ac8782d994888a997e7fc3cc38bfde8 [0,0,0,1,0,0|2,0,1]=4 3244 B12R1.37 CCCCCCO[C@@H]1CCSC1 65eeb59acc6b453ca653c86a9cc48e84 [0,0,0,1,0,0|2,0,1]=4 3245 B12R1.37 CCCCCCO[C@H]1CCOC1 c4ffa9f584f60d601e426bf150595696 [0,0,0,1,0,0|2,0,1]=4 3246 B12R1.37 CCCCCCO[C@H]1CCSC1 bffbfcd05fe06213c13d89912aacc404 [0,0,0,1,0,0|2,0,1]=4 3247 B12R1.37 CCCCOCC=C1CCCC1 c286f48e9c0d0841b8001221eb2f77c9 [0,0,0,1,0,0|3,0,0]=4 3248 B12R1.37 CCCCOCOC1CCCC1 ef722b9818a52d7112d0ae8c7f4c4698 [0,0,0,1,0,0|2,0,1]=4 3249 B12R1.37 CCCCOCOC1CCCO1 fa8db85d7b968529ccfc556c9db76d88 [0,0,0,1,0,0|1,0,2]=4 3250 B12R1.37 CCCNCCOC1CCCC1 274068501a8a3efbc408a58c94630122 [0,0,0,1,0,0|2,0,1]=4 3251 B12R1.37 CCCOCCOC1CCCC1 c80e8da506d8480385814b3404fed60d [0,0,0,1,0,0|2,0,1]=4 3252 B12R1.37 CCCOCCOC1CCCO1 a8e40faedfefd54e2636ad01fc02e60e [0,0,0,1,0,0|1,0,2]=4 3253 B12R1.37 CCCSCCOC1CCCC1 2f27a6e05207d6a58079b65eccbd2f19 [0,0,0,1,0,0|2,0,1]=4 3254 B12R1.37 CCNCCCOC1CCCC1 abfd19ece55a006bc8748a311e8dcae7 [0,0,0,1,0,0|2,0,1]=4 3255 B12R1.37 CCOCCCOC1CCCC1 eb58e1f7e79c7f95c39cc57d0ee88817 [0,0,0,1,0,0|2,0,1]=4 3256 B12R1.37 CCOCCCOC1CCCO1 9849c8cf484c1ab34387c61b6aaba01a [0,0,0,1,0,0|1,0,2]=4 3257 B12R1.37 CCSCCCOC1CCCC1 bcbad6928ef847a1d78b7eddc76fdbdd [0,0,0,1,0,0|2,0,1]=4 3258 B12R1.37 CCSCCCOC1CCCO1 575d3668446e568977eecb6aa0ac5d9f [0,0,0,1,0,0|1,0,2]=4 3259 B12R1.37 COCCCCOC1CCCC1 0be30c7079179fb4b6a7ad834a97a031 [0,0,0,1,0,0|2,0,1]=4 3260 B12R1.37 COCCCCOC1CCCO1 5fdd7271538ebbf612e25a7900b9b8c5 [0,0,0,1,0,0|1,0,2]=4 3261 B12R1.37 CSCCCCOC1CCCC1 f0be1bbff803e3eebf2fe4932f42e1b5 [0,0,0,1,0,0|2,0,1]=4 3262 B12R1.37 FCCCCCOC1CCCC1 23051dc4760d0b499ed8ccdd54d8a26b [0,0,0,1,0,0|2,0,1]=4 3263 B12R1.37 FCCCCCOC1CCCO1 f20d7ca93e907a22c265e1113c51af24 [0,0,0,1,0,0|1,0,2]=4 3264 B12R1.51 C#CCC(=O)NCC1CCCC1 adec45adf7c612a3acdd5706b230348c [0,0,0,1,0,0|1,0,2]=4 3265 B12R1.51 C/C=C/C(=O)NCC1CCCC1 ba948ebbfe160e6b2e2292368b526934 [0,0,0,1,0,0|1,0,2]=4 3266 B12R1.51 C=CCC(=O)NCC1CCCC1 546486ea4fa41fce433c7cbcc8fcebdd [0,0,0,1,0,0|1,0,2]=4 3267 B12R1.51 CC#CC(=O)NCC1CCCC1 7925299f9cb781cce7729a2877c57d69 [0,0,0,1,0,0|1,0,2]=4 3268 B12R1.51 CCCC(=O)CNC1CCCC1 9a4a4d9626f3134efce8838d40eda105 [0,0,0,1,0,0|2,0,0]=3 3269 B12R1.51 CCCC(=O)CNC1CCOC1 f9e6ee9fcd5be37bb4f77dce6f2da932 [0,0,0,1,0,0|3,0,0]=4 3270 B12R1.51 CCCC(=O)CNC1CCSC1 2cb8c61f9ee58230a841f169c214a86c [0,0,0,1,0,0|3,0,0]=4 3271 B12R1.51 CCCC(=O)CN[C@@H]1CCOC1 c17cf99b00e6bd3c607b3de76f333215 [0,0,0,1,0,0|3,0,0]=4 3272 B12R1.51 CCCC(=O)CN[C@H]1CCOC1 70f17281322063fdb53463276d567ac0 [0,0,0,1,0,0|3,0,0]=4 3273 B12R1.51 CCCC(=O)COC1CCCC1 4071714b381bd78a53d7cf9e1365d50f [0,0,0,1,0,0|2,0,0]=3 3274 B12R1.51 CCCC(=O)COC1CCCO1 57a2688735a65f75410539ea4e47637c [0,0,0,1,0,0|3,0,0]=4 3275 B12R1.51 CCCC(=O)COC1CCOC1 465a3d8f8145bed685a2535c60f725bf [0,0,0,1,0,0|3,0,0]=4 3276 B12R1.51 CCCC(=O)COC1CCSC1 acce18c85ef129b02cbf737e34806cba [0,0,0,1,0,0|3,0,0]=4 3277 B12R1.51 CCCC(=O)CO[C@@H]1CCOC1 04bea930988411b195803f903f1d18af [0,0,0,1,0,0|3,0,0]=4 3278 B12R1.51 CCCC(=O)CO[C@@H]1CCSC1 02b931fa3999a2b72644140dbab23e7e [0,0,0,1,0,0|3,0,0]=4 3279 B12R1.51 CCCC(=O)CO[C@H]1CCOC1 cec648ad9dd32184675609608d128867 [0,0,0,1,0,0|3,0,0]=4 3280 B12R1.51 CCCC(=O)CO[C@H]1CCSC1 5fc01749ae16840b02a1cee6e6f6721b [0,0,0,1,0,0|3,0,0]=4 3281 B12R1.51 CCCC(=O)NCC1CC=CC1 b7e9005608be16444c4d1e1a45480565 [0,0,0,1,0,0|1,0,2]=4 3282 B12R1.51 CCCC(=O)NCC1CCCC1 cfcb200415709c214a1d801f83e6a4b6 [0,0,0,1,0,0|1,0,0]=2 3283 B12R1.51 CCCC(=O)NCC1CCCO1 e4a03b1f607ff098a7b99b505f41ca9d [0,0,0,1,0,0|2,0,0]=3 3284 B12R1.51 CCCC(=O)NCC1CCOC1 0059562e061f3db7f993cab5ce4b010a [0,0,0,1,0,0|2,0,0]=3 3285 B12R1.51 CCCC(=O)NC[C@@H]1CCCO1 fa412fcaf3ac17029c350efdfa77a0ca [0,0,0,1,0,0|2,0,0]=3 3286 B12R1.51 CCCC(=O)NC[C@@H]1CCOC1 142bbab18148f83d6a881c091ad157d7 [0,0,0,1,0,0|2,0,0]=3 3287 B12R1.51 CCCC(=O)NC[C@H]1CCCO1 09ba24c92f7c743a1d210609eeb0d318 [0,0,0,1,0,0|2,0,0]=3 3288 B12R1.51 CCCC(=O)NC[C@H]1CCOC1 90f0df9a6003c98e94f82e7235bcb390 [0,0,0,1,0,0|2,0,0]=3 3289 B12R1.51 CCCC(=O)OCN1CC=CC1 3fc29dbb67c21514fc1bff5d56ee4c98 [0,0,0,1,0,0|1,0,2]=4 3290 B12R1.51 CCCC(=O)OCN1CCSC1 9a8d222f261a1ed1c068662b128ae5a1 [0,0,0,1,0,0|2,0,0]=3 3291 B12R1.51 CCCC(=S)OCC1=CCCC1 b2f2478f9267ed016c7a562ce03e2a3c [0,0,0,1,0,0|0,1,2]=4 3292 B12R1.51 CCCC(=S)OCC1CC=CC1 34c831f54484936066bb4a1f36421cbb [0,0,0,1,0,0|0,1,2]=4 3293 B12R1.51 CCCC(=S)OCC1CCCC1 dbb56b416236bceabe144b79562a70fc [0,0,0,1,0,0|0,1,0]=2 3294 B12R1.51 CCCC(=S)OCC1CCCO1 b0b7deffb14dc9b7b714948792f41892 [0,0,0,1,0,0|1,1,0]=3 3295 B12R1.51 CCCC(=S)OCC1CCOC1 96f491f1917c321df4bf780870050342 [0,0,0,1,0,0|1,1,0]=3 3296 B12R1.51 CCCC(C)NCC1CCCC1 e4cc212aa39a4a54152e6a7f3770b828 [0,0,0,1,0,0|2,0,1]=4 3297 B12R1.51 CCCC(C)OCC1CCCC1 1808933eb5de90ba7eaa5373a0c14484 [0,0,0,1,0,0|1,0,1]=3 3298 B12R1.51 CCCC(C)OCC1CCCO1 f9b187f6ca284fcc83cf9580d2a6b19a [0,0,0,1,0,0|2,0,1]=4 3299 B12R1.51 CCCC(C)OCC1CCCS1 85fb708e4034a414380440c69e9c1c21 [0,0,0,1,0,0|2,0,1]=4 3300 B12R1.51 CCCC(C)OCC1CCOC1 686ad168a67809c743ee521dc11721ed [0,0,0,1,0,0|2,0,1]=4 3301 B12R1.51 CCCC(C)OCN1CCCC1 92340d4cff1408ff8ec9e0cf124063ff [0,0,0,1,0,0|2,0,1]=4 3302 B12R1.51 CCCC(C)OC[C@@H]1CCCO1 fc073b0267cd3b0a3dc9e7d6262160f9 [0,0,0,1,0,0|2,0,1]=4 3303 B12R1.51 CCCC(C)OC[C@@H]1CCOC1 f624df10708dd34f7ae3ca69ba18c80d [0,0,0,1,0,0|2,0,1]=4 3304 B12R1.51 CCCC(C)OC[C@H]1CCCO1 429e40dcdb6d69fb6e4bdd5d7b4910ed [0,0,0,1,0,0|2,0,1]=4 3305 B12R1.51 CCCC(C)OC[C@H]1CCOC1 317058b2f77f78dc6cd12a471a6fc861 [0,0,0,1,0,0|2,0,1]=4 3306 B12R1.51 CCCN(C)CCC1CCCC1 0dca9f74e9cb5055e3c4cbe4d26b8e62 [0,0,0,1,0,0|3,0,0]=4 3307 B12R1.51 CCC[C@@H](C)OCC1CCCC1 4d8e153605cd37943335cc3be94c5e7c [0,0,0,1,0,0|1,0,1]=3 3308 B12R1.51 CCC[C@@H](C)OCC1CCCO1 c92f0295cf0b410da1ba5b9eeb1c4365 [0,0,0,1,0,0|2,0,1]=4 3309 B12R1.51 CCC[C@@H](C)OCC1CCOC1 9d4730236e439fbd1c94395ea6d37c82 [0,0,0,1,0,0|2,0,1]=4 3310 B12R1.51 CCC[C@H](C)NCC1CCCC1 045434c29cee8d37f62bba53b25ca70a [0,0,0,1,0,0|2,0,1]=4 3311 B12R1.51 CCC[C@H](C)OCC1CCCC1 b9ce31dd9a49392e934bb36b943ecb9e [0,0,0,1,0,0|1,0,1]=3 3312 B12R1.51 CCC[C@H](C)OCC1CCCO1 e671b0d46e44d9456c79af588c8e3434 [0,0,0,1,0,0|2,0,1]=4 3313 B12R1.51 CCC[C@H](C)OCC1CCOC1 c72b71bb812057371cc2770ebb57e7c2 [0,0,0,1,0,0|2,0,1]=4 3314 B12R1.51 CCNC(=O)CNC1CCCC1 65f1b988041f696ddd11740c100fca07 [0,0,0,1,0,0|3,0,0]=4 3315 B12R1.51 CCNC(=O)COC1CCCC1 a35c2466cf72cd04a0d31e930cbcfefc [0,0,0,1,0,0|3,0,0]=4 3316 B12R1.51 CCOC(=O)CNC1CCCC1 a385a38555c8482595f001367ab698e4 [0,0,0,1,0,0|3,0,0]=4 3317 B12R1.51 CCOC(=O)COC1CCCC1 ac71fdfb9de8db34ecb53d8b4837512e [0,0,0,1,0,0|3,0,0]=4 3318 B12R1.51 CCOC(=O)OCN1CCSC1 fc8424ac7542eab8b6b5bd6546b67859 [0,0,0,1,0,0|3,0,0]=4 3319 B12R1.51 CCSC(=O)OCN1CCSC1 fad3853a73eb4b2c8f508e39ec9a1fa8 [0,0,0,1,0,0|3,0,0]=4 3320 B12R1.51 COCC(=O)CNC1CCCC1 3eb4736d2ac65401488d3c966c319dd4 [0,0,0,1,0,0|3,0,0]=4 3321 B12R1.51 COCC(=O)COC1CCCC1 8df1326a8ad57557cf382b6bcdf97036 [0,0,0,1,0,0|3,0,0]=4 3322 B12R1.51 COCC(=O)NCC1CCCC1 5df29ac1f4d18d74192d82ee7a059590 [0,0,0,1,0,0|2,0,0]=3 3323 B12R1.51 COCC(=O)NCC1CCCO1 3e1d7aea831bcb4f8a3925fd197734bc [0,0,0,1,0,0|3,0,0]=4 3324 B12R1.51 COCC(=O)NCC1CCOC1 3e845f31a40ae2c396314dc9c52b730a [0,0,0,1,0,0|3,0,0]=4 3325 B12R1.51 COCC(=O)NC[C@@H]1CCCO1 e29ebd924b7718979399596f02e1c2f5 [0,0,0,1,0,0|3,0,0]=4 3326 B12R1.51 COCC(=O)NC[C@@H]1CCOC1 663e1af38e680b06b5fc8fbf19b72c25 [0,0,0,1,0,0|3,0,0]=4 3327 B12R1.51 COCC(=O)NC[C@H]1CCCO1 ba19568ab494426171d2c741ba0d6deb [0,0,0,1,0,0|3,0,0]=4 3328 B12R1.51 COCC(=O)NC[C@H]1CCOC1 9fc7e454051a67338d5fb09dcdaf6701 [0,0,0,1,0,0|3,0,0]=4 3329 B12R1.51 COCC(C)OCC1CCCC1 1ef6957025b8a9c67ea4c4188087c645 [0,0,0,1,0,0|2,0,1]=4 3330 B12R1.51 COC[C@@H](C)OCC1CCCC1 31528cae521b71fb55d07ec0cec0b298 [0,0,0,1,0,0|2,0,1]=4 3331 B12R1.51 COC[C@H](C)OCC1CCCC1 8947c85bbb7b3825658e2a7c34f92141 [0,0,0,1,0,0|2,0,1]=4 3332 B12R1.51 CSCC(=O)NCC1CCCC1 3ec106889c89688efa216fb15eb6567a [0,0,0,1,0,0|2,0,0]=3 3333 B12R1.51 CSCC(=O)NCC1CCCO1 1a7c13392a02383c0ff9aa95c37e9d34 [0,0,0,1,0,0|3,0,0]=4 3334 B12R1.51 CSCC(=O)NCC1CCOC1 ec942e59531a329f1eb1227fadef2cd6 [0,0,0,1,0,0|3,0,0]=4 3335 B12R1.51 CSCC(=O)NC[C@@H]1CCCO1 c002d059d7699cc6b2c34d70b60941e0 [0,0,0,1,0,0|3,0,0]=4 3336 B12R1.51 CSCC(=O)NC[C@@H]1CCOC1 c43c866d879cb245d7b46e55b35e93cf [0,0,0,1,0,0|3,0,0]=4 3337 B12R1.51 CSCC(=O)NC[C@H]1CCCO1 8eecf5c799de2e76e84d950d90bf7567 [0,0,0,1,0,0|3,0,0]=4 3338 B12R1.51 CSCC(=O)NC[C@H]1CCOC1 1ae1b775d5849ae7116c1a544e16d4a1 [0,0,0,1,0,0|3,0,0]=4 3339 B12R1.51 CSCC(C)OCC1CCCC1 5eb892d34e6f902be6e8e03248d6e945 [0,0,0,1,0,0|2,0,1]=4 3340 B12R1.51 N#CCC(=O)NCC1CCCC1 8d30ad0b059388e9a01ab5b4fe306d99 [0,0,0,1,0,0|2,0,1]=4 3341 B12R1.51 NOCC(=O)NCC1CCCC1 d6196c94be6935ee1913cb587295b6e9 [0,0,0,1,0,0|3,0,0]=4 3342 B12R1.51 O=C(CCF)NCC1CCCC1 b2452aeae29ad7c9bbfc9d4a5e63bc5f [0,0,0,1,0,0|2,0,0]=3 3343 B12R1.51 O=C(CCF)NCC1CCCO1 80af6f68d9167c55911b66c422415169 [0,0,0,1,0,0|3,0,0]=4 3344 B12R1.51 O=C(CCF)NCC1CCOC1 a9898fa085228da07933206e70b1b43b [0,0,0,1,0,0|3,0,0]=4 3345 B12R1.51 O=C(CCF)NC[C@@H]1CCCO1 b8da5523535daa551e6f4695c788cb11 [0,0,0,1,0,0|3,0,0]=4 3346 B12R1.51 O=C(CCF)NC[C@@H]1CCOC1 c0284008d33072450b623d95a6e793d5 [0,0,0,1,0,0|3,0,0]=4 3347 B12R1.51 O=C(CCF)NC[C@H]1CCCO1 0a38a4102df85dd7f063628bb8182f32 [0,0,0,1,0,0|3,0,0]=4 3348 B12R1.51 O=C(CCF)NC[C@H]1CCOC1 5a59f5b26cd6c56b11d387eabe84d7aa [0,0,0,1,0,0|3,0,0]=4 3349 B12R1.51 O=C(CCO)NCC1CCCC1 0e6efe94600c3b09dba4f7d419378823 [0,0,0,1,0,0|2,0,0]=3 3350 B12R1.51 O=C(CCO)NCC1CCCO1 d20e439d1a721581ff2df4b012d978a9 [0,0,0,1,0,0|3,0,0]=4 3351 B12R1.51 O=C(CCO)NCC1CCOC1 e32827993011305de429e871e1fd66a3 [0,0,0,1,0,0|3,0,0]=4 3352 B12R1.51 O=C(CCO)NC[C@@H]1CCCO1 35d72620ecf7842f82f15f9a1e3f1c94 [0,0,0,1,0,0|3,0,0]=4 3353 B12R1.51 O=C(CCO)NC[C@@H]1CCOC1 9fa6dfb35ed7e604cfe4137c36ce7577 [0,0,0,1,0,0|3,0,0]=4 3354 B12R1.51 O=C(CCO)NC[C@H]1CCCO1 e093b56b61eb1c2f825b31975d81ec9b [0,0,0,1,0,0|3,0,0]=4 3355 B12R1.51 O=C(CCO)NC[C@H]1CCOC1 71bc53462ec6b650075e3a8e1e94e89d [0,0,0,1,0,0|3,0,0]=4 3356 B12R1.51 O=C(CCS)NCC1CCCC1 aa4b678e4a693fe89ef8a8bb4cb10536 [0,0,0,1,0,0|2,0,0]=3 3357 B12R1.51 O=C(CCS)NCC1CCCO1 88b89f89c89ac89eb9f1e2a6879b0523 [0,0,0,1,0,0|3,0,0]=4 3358 B12R1.51 O=C(CCS)NCC1CCOC1 8c2c779bdc5780bf9d92f6afe9607d7b [0,0,0,1,0,0|3,0,0]=4 3359 B12R1.51 O=C(CCS)NC[C@@H]1CCCO1 322ebbbee1d50e631ebbe19a0c27726f [0,0,0,1,0,0|3,0,0]=4 3360 B12R1.51 O=C(CCS)NC[C@@H]1CCOC1 1c4c3f3874a7aedeb27c044dbab5ebc4 [0,0,0,1,0,0|3,0,0]=4 3361 B12R1.51 O=C(CCS)NC[C@H]1CCCO1 3dc9c2241d36984c25353d1888311c50 [0,0,0,1,0,0|3,0,0]=4 3362 B12R1.51 O=C(CCS)NC[C@H]1CCOC1 37ada72e8bb021fcb5fc61f87e09184e [0,0,0,1,0,0|3,0,0]=4 3363 B12R1.51 O=CCC(=O)NCC1CCCC1 b308bf809e721780681e948b428af674 [0,0,0,1,0,0|2,0,1]=4 3364 B12R1.62 CC1CC(C1)OCCCCCF 3959368730b2b7311c1f7de01a72bcd3 [0,0,0,1,0,0|2,0,1]=4 3365 B12R1.62 CCCCCCOC1CC(C1)C e966a836f2b197cf8ad713c9b339774b [0,0,0,1,0,0|1,0,1]=3 3366 B12R1.62 CCCCCCOC1CC(C1)F a21f5c403da3ff53dd3d788acb7af405 [0,0,0,1,0,0|2,0,1]=4 3367 B12R1.62 CCCCCCOC1CN(C1)C 276e4d99f6a8265dd5ea79e1ca7e4105 [0,0,0,1,0,0|2,0,1]=4 3368 B12R1.62 CCCCCCO[C@H]1C[C@@H](C1)F 16b205ba039d7e5a8ad9c6350c636437 [0,0,0,1,0,0|2,0,1]=4 3369 B12R1.62 CCCCCCO[C@H]1C[C@H](C1)F 679fe3e629c6d177ad2133ba0a328540 [0,0,0,1,0,0|2,0,1]=4 3370 B12R1.62 CCCCOCOC1CC(C1)C 8853c092a97ef52303488fabc3048927 [0,0,0,1,0,0|2,0,1]=4 3371 B12R1.62 CCCOCCOC1CC(C1)C 68014652fdddae818f966e40cffb81ee [0,0,0,1,0,0|2,0,1]=4 3372 B12R1.62 CCOCCCOC1CC(C1)C 0afd17c6297a61f7ce2429b0592943a8 [0,0,0,1,0,0|2,0,1]=4 3373 B12R1.62 CCSCCCOC1CC(C1)C a539028e4c250e0b12ae292edd424456 [0,0,0,1,0,0|2,0,1]=4 3374 B12R1.62 COCCCCOC1CC(C1)C e6d30c45d7e04c7fa24e8ee72dae3a75 [0,0,0,1,0,0|2,0,1]=4 3375 B12R1.69 CC1CC(=O)CCC1OCCF 04b15514f1b6b5aa1ef59c959bf5264f [0,0,0,1,0,0|3,0,0]=4 3376 B12R1.69 CC1CC(=O)CCC1OCCS da2622ca397c6f52f0dd9ee686d07edf [0,0,0,1,0,0|3,0,0]=4 3377 B12R1.69 CCCOC1CCC(=O)CC1C 89bf2ebc9c694040d723abd3742c1391 [0,0,0,1,0,0|2,0,0]=3 3378 B12R1.69 CCCOC1CCC(=O)NC1C 90e42a045e5bef164d4cf242fdfc5773 [0,0,0,1,0,0|3,0,0]=4 3379 B12R1.69 COCOC1CCC(=O)CC1C d1ccbbaf661c3f87fdb0b87a2a02e63f [0,0,0,1,0,0|3,0,0]=4 3380 B12R1.69 CSCOC1CCC(=O)CC1C b3f5250c17ca99f1e92748d3c2739a7f [0,0,0,1,0,0|3,0,0]=4 3381 B12R1.172 CCOC1CCCC(=O)CCC1 09769734fda33316df4cb84bd1d8e6bd [0,0,0,1,0,0|2,0,0]=3 3382 B12R1.172 O=C1CCCC(CCC1)OCF 4203a62c5d935487b655366ad66e0a95 [0,0,0,1,0,0|3,0,0]=4 3383 B12R1.173 CCCN1CCCCCCCC1 123ca0e6590c73ac248efa4d87cbbd3f [0,0,0,1,0,0|3,0,0]=4 3384 B12R1.308 C#CCC(=O)N1CCCCC1C 4584f7759680c0463344588b105d0374 [0,0,0,1,0,0|1,0,2]=4 3385 B12R1.308 C#CCC(=O)N1CCCC[C@@H]1C 7b66d4f6576febacace3cf68d5e70500 [0,0,0,1,0,0|1,0,2]=4 3386 B12R1.308 C#CCC(=O)N1CCCC[C@H]1C 509f7b1fc544b6712b55b21ff7a9923f [0,0,0,1,0,0|1,0,2]=4 3387 B12R1.308 C/C=C/C(=O)N1CCCCC1C ac073b47dcae90ccc443eade762a5f01 [0,0,0,1,0,0|1,0,2]=4 3388 B12R1.308 C/C=C/C(=O)N1CCCC[C@@H]1C b17e7b8cd7f32f02e72f927c1e0660c7 [0,0,0,1,0,0|1,0,2]=4 3389 B12R1.308 C/C=C/C(=O)N1CCCC[C@H]1C cd7c5b96bef385c94ab1fc188ef2995d [0,0,0,1,0,0|1,0,2]=4 3390 B12R1.308 C=CCC(=O)N1CCCCC1C d6a8e5b87ab438e67719c4307bb95a59 [0,0,0,1,0,0|1,0,2]=4 3391 B12R1.308 C=CCC(=O)N1CCCC[C@@H]1C 0e3354e3bbd1215f6700adaf8ac26751 [0,0,0,1,0,0|1,0,2]=4 3392 B12R1.308 C=CCC(=O)N1CCCC[C@H]1C 0f5fd7d2b7d97e91f811df416952e3d3 [0,0,0,1,0,0|1,0,2]=4 3393 B12R1.308 CC#CC(=O)N1CCCCC1C e52b13f08467f932dfb5dca531e1f1a0 [0,0,0,1,0,0|1,0,2]=4 3394 B12R1.308 CC#CC(=O)N1CCCC[C@@H]1C 76e59f81bb7c64eeb3ef8ed4ed17b928 [0,0,0,1,0,0|1,0,2]=4 3395 B12R1.308 CC#CC(=O)N1CCCC[C@H]1C 13f5e22de0383e6f6f0aa8119d837c34 [0,0,0,1,0,0|1,0,2]=4 3396 B12R1.308 CC1CCCCN1C(=O)CC#N dc1a0f9f10585960ab0e9fcd062920cc [0,0,0,1,0,0|2,0,1]=4 3397 B12R1.308 CC1CCCCN1C(=O)CC=O de321646c9bf1972dab13590bd85793b [0,0,0,1,0,0|2,0,1]=4 3398 B12R1.308 CC1CCCCN1C(=O)CCF 7b8a5b460e8159c07dbad5e3c921a47c [0,0,0,1,0,0|2,0,0]=3 3399 B12R1.308 CC1CCCCN1C(=O)CCO 19c356f7216d272ff32bd4545ad884be [0,0,0,1,0,0|2,0,0]=3 3400 B12R1.308 CC1CCCCN1C(=O)CCS d2d9d594554916f20357a326c3f43458 [0,0,0,1,0,0|2,0,0]=3 3401 B12R1.308 CC1CCCCN1C(=O)CON 0763456ce400eea58ca907e15e392f29 [0,0,0,1,0,0|3,0,0]=4 3402 B12R1.308 CC1COCCN1C(=O)CCF d81d96e9a253751924755a3405f9b26f [0,0,0,1,0,0|3,0,0]=4 3403 B12R1.308 CC1COCCN1C(=O)CCO 7c801ff2dcb30c59a2494c7655449f5b [0,0,0,1,0,0|3,0,0]=4 3404 B12R1.308 CC1COCCN1C(=O)CCS 0fc27cbbbb739ab97d46ba02da0b7fd6 [0,0,0,1,0,0|3,0,0]=4 3405 B12R1.308 CCCC(=O)N1CCCCC1C 7d075d0c0acf0d9446431e41494dcc3e [0,0,0,1,0,0|1,0,0]=2 3406 B12R1.308 CCCC(=O)N1CCCC[C@@H]1C 5e8ed4ab5c1c0bd8bb3ebc86f1d3822a [0,0,0,1,0,0|1,0,0]=2 3407 B12R1.308 CCCC(=O)N1CCCC[C@H]1C eb466f6802ecb7cb17e439645fd356fd [0,0,0,1,0,0|1,0,0]=2 3408 B12R1.308 CCCC(=O)N1CCOCC1C 67f11d72198c4e0ad84fe5a87f254c29 [0,0,0,1,0,0|2,0,0]=3 3409 B12R1.308 CCCC(=O)N1CCOC[C@@H]1C de7974f38d7981d624657fcb83be6501 [0,0,0,1,0,0|2,0,0]=3 3410 B12R1.308 CCCC(=O)N1CCOC[C@H]1C 5ed03702f0027c4b56db85ef9735dc22 [0,0,0,1,0,0|2,0,0]=3 3411 B12R1.308 CCCC(C)N1CCCCC1C 8af129b49ca01059ac962dea128185bf [0,0,0,1,0,0|2,0,1]=4 3412 B12R1.308 CCCC(C)N1CCCC[C@@H]1C 98fb1c134547ecb776a9663edaa3f976 [0,0,0,1,0,0|2,0,1]=4 3413 B12R1.308 CCCC(C)N1CCCC[C@H]1C 72effc956c9d7063ce84c871bcedf6c2 [0,0,0,1,0,0|2,0,1]=4 3414 B12R1.308 CCCN(C)[C@H]1CCCC[C@H]1C c5612c1345b5359be3369a606808a2d7 [0,0,0,1,0,0|3,0,0]=4 3415 B12R1.308 COCC(=O)N1CCCCC1C fba159af9f1c69e71f1edfe954b7830b [0,0,0,1,0,0|2,0,0]=3 3416 B12R1.308 COCC(=O)N1CCCC[C@@H]1C 61ab9f316916c39a3a7a4be95036a412 [0,0,0,1,0,0|2,0,0]=3 3417 B12R1.308 COCC(=O)N1CCCC[C@H]1C 938ef73806a1e383b6391f3fcf736dd0 [0,0,0,1,0,0|2,0,0]=3 3418 B12R1.308 COCC(=O)N1CCOCC1C af5de2d39a472245052e0fecba5eb710 [0,0,0,1,0,0|3,0,0]=4 3419 B12R1.308 COCC(=O)N1CCOC[C@@H]1C d1ab13b442697021bcb8a5babec0d0e6 [0,0,0,1,0,0|3,0,0]=4 3420 B12R1.308 COCC(=O)N1CCOC[C@H]1C 1dc755cc1097f3b819ba431e61f8881e [0,0,0,1,0,0|3,0,0]=4 3421 B12R1.308 CSCC(=O)N1CCCCC1C 14a27e8d39b6374d7abc68da3a1ce64b [0,0,0,1,0,0|2,0,0]=3 3422 B12R1.308 CSCC(=O)N1CCCC[C@@H]1C 044ff204d2ad41dfe9fb7d4d636436ae [0,0,0,1,0,0|2,0,0]=3 3423 B12R1.308 CSCC(=O)N1CCCC[C@H]1C 2533225d2158143b6d105536f4812abb [0,0,0,1,0,0|2,0,0]=3 3424 B12R1.308 CSCC(=O)N1CCOCC1C 54380c3b6621c3f43625bcc8b6f28713 [0,0,0,1,0,0|3,0,0]=4 3425 B12R1.308 CSCC(=O)N1CCOC[C@@H]1C e02b7c54e4917b77201a2367010a4298 [0,0,0,1,0,0|3,0,0]=4 3426 B12R1.308 CSCC(=O)N1CCOC[C@H]1C c5a54748386e22190c8ba93fc8a59ca4 [0,0,0,1,0,0|3,0,0]=4 3427 B12R1.308 C[C@@H]1CCCCN1C(=O)CC#N d7242ef0f8bab4146da19efdf71b9abe [0,0,0,1,0,0|2,0,1]=4 3428 B12R1.308 C[C@@H]1CCCCN1C(=O)CC=O 6dee8d06c4d3d0c79f9c49ec3df0cefd [0,0,0,1,0,0|2,0,1]=4 3429 B12R1.308 C[C@@H]1CCCCN1C(=O)CCF ceb9043a0baef29cf57044ffdc517d38 [0,0,0,1,0,0|2,0,0]=3 3430 B12R1.308 C[C@@H]1CCCCN1C(=O)CCO c3f94124ef8e1ea08c8e16a10c70c853 [0,0,0,1,0,0|2,0,0]=3 3431 B12R1.308 C[C@@H]1CCCCN1C(=O)CCS ee6d5fb342fc6fba89c25f2e9f4665f1 [0,0,0,1,0,0|2,0,0]=3 3432 B12R1.308 C[C@@H]1CCCCN1C(=O)CON 39baa9fe2dbc6574b4ab7223aa11189a [0,0,0,1,0,0|3,0,0]=4 3433 B12R1.308 C[C@@H]1COCCN1C(=O)CCF d3065ef6da2fea2e8765d9d2e4fedf41 [0,0,0,1,0,0|3,0,0]=4 3434 B12R1.308 C[C@@H]1COCCN1C(=O)CCO 8895bb11a8efb45f5ef7952add5db1c3 [0,0,0,1,0,0|3,0,0]=4 3435 B12R1.308 C[C@@H]1COCCN1C(=O)CCS dece6789104dc985f1f6023695decc78 [0,0,0,1,0,0|3,0,0]=4 3436 B12R1.308 C[C@H]1CCCCN1C(=O)CC#N 52642e18c81a40b5f282fd10ceb4ca20 [0,0,0,1,0,0|2,0,1]=4 3437 B12R1.308 C[C@H]1CCCCN1C(=O)CC=O f766728137592c2cc422f230cdd4193a [0,0,0,1,0,0|2,0,1]=4 3438 B12R1.308 C[C@H]1CCCCN1C(=O)CCF a8bdaf06cd123d1100398ebe0a19ea09 [0,0,0,1,0,0|2,0,0]=3 3439 B12R1.308 C[C@H]1CCCCN1C(=O)CCO 74eed4db8a26914875a04cd88c8a2b70 [0,0,0,1,0,0|2,0,0]=3 3440 B12R1.308 C[C@H]1CCCCN1C(=O)CCS 5b4de33745f2d384510be5481d908e39 [0,0,0,1,0,0|2,0,0]=3 3441 B12R1.308 C[C@H]1CCCCN1C(=O)CON 5339d78411e61e42e17ace6ec48ae315 [0,0,0,1,0,0|3,0,0]=4 3442 B12R1.308 C[C@H]1COCCN1C(=O)CCF be7eb60f4053c7ec5910261aaa0933e8 [0,0,0,1,0,0|3,0,0]=4 3443 B12R1.308 C[C@H]1COCCN1C(=O)CCO e0b29c368b546af484089fa58f7ca1bd [0,0,0,1,0,0|3,0,0]=4 3444 B12R1.308 C[C@H]1COCCN1C(=O)CCS bc9f604a1db324118e880a46a3834a78 [0,0,0,1,0,0|3,0,0]=4 3445 B12R1.309 CCCC(=O)CN[C@@H]1C[C@@H]1OC 4717ca0a8840aa6426b46275deee30f6 [0,0,0,1,0,0|3,0,0]=4 3446 B12R1.309 CCCC(=O)CN[C@@H]1C[C@H]1CO c4c7292b261f768b7016f2d527c032b8 [0,0,0,1,0,0|3,0,0]=4 3447 B12R1.309 CCCC(=O)CN[C@H]1C[C@@H]1CO 68338b47114ef65cacdf7333c3ca25ef [0,0,0,1,0,0|3,0,0]=4 3448 B12R1.309 CCCC(=O)CN[C@H]1C[C@H]1CO 647806f5ef9ca28e8e5caac3cac50d47 [0,0,0,1,0,0|3,0,0]=4 3449 B12R1.309 CCCC(=O)NCC1CC1CO e21ac12da69a5aef29f121abc9b66377 [0,0,0,1,0,0|2,0,0]=3 3450 B12R1.309 COCC(=O)NCC1CC1CO 94001698b5339731c060185e3eaa6c2c [0,0,0,1,0,0|3,0,0]=4 3451 B12R1.309 CSCC(=O)NCC1CC1CO 899e7a1dfc58904640b87be302077e27 [0,0,0,1,0,0|3,0,0]=4 3452 B12R1.309 O=C(CCF)NCC1CC1CO 2b3a9fa9ec9b648a71f8f549165f73f6 [0,0,0,1,0,0|3,0,0]=4 3453 B12R1.309 O=C(CCO)NCC1CC1CO a6f2ee7ab7868e306b9963ff524f8000 [0,0,0,1,0,0|3,0,0]=4 3454 B12R1.309 O=C(CCS)NCC1CC1CO a8f84493ef7667769981fdd1daf93c50 [0,0,0,1,0,0|3,0,0]=4 3455 B12R1.310 CCCC(=O)CNCCC1CC1 b8dac4d3972853401f1f9626ab0f926b [0,0,0,1,0,0|2,0,0]=3 3456 B12R1.310 CCCC(=O)CNCCN1CC1 d41f874c88bdfc4c1e71113647250be1 [0,0,0,1,0,0|3,0,0]=4 3457 B12R1.310 CCCC(=O)COCCC1CC1 b402d66c3a5794f8e89c82fe4622ea35 [0,0,0,1,0,0|2,0,0]=3 3458 B12R1.310 CCCC(=O)COCCN1CC1 8c6bfffa396c0206ba26b78a44405ca9 [0,0,0,1,0,0|3,0,0]=4 3459 B12R1.310 CCCC(=O)NCCOC1CC1 5eef59f7cdc291e46b19d99b5f39e8f3 [0,0,0,1,0,0|2,0,0]=3 3460 B12R1.310 CCCC(=O)OCCOC1CC1 c6355cd2c488ee5c8251c82f789bd58c [0,0,0,1,0,0|1,0,0]=2 3461 B12R1.310 CCCC(=O)OCNCC1CC1 5054915f96cb1a18ad842b1948acbcc8 [0,0,0,1,0,0|1,0,0]=2 3462 B12R1.310 CCCC(=O)OCOCC1CC1 827ee871609f5dfa9d7df47c0a9a3eef [0,0,0,1,0,0|1,0,0]=2 3463 B12R1.310 CCCC(=S)OCCOC1CC1 ed2b16a5dde6b35df010eab9e0bf1589 [0,0,0,1,0,0|1,1,0]=3 3464 B12R1.310 CCCC(C)OCCCC1CC1 1ea5b09d6e8dcb94d0f8acbc09921d35 [0,0,0,1,0,0|1,0,1]=3 3465 B12R1.310 CCCC(C)OCCOC1CC1 cf04836d2bb4d35701252a0e12834c4a [0,0,0,1,0,0|2,0,1]=4 3466 B12R1.310 CCC[C@@H](C)OCCOC1CC1 f814fe667a85066061607ad4ee8a0cf8 [0,0,0,1,0,0|2,0,1]=4 3467 B12R1.310 CCC[C@H](C)OCCOC1CC1 fa07b01a3ba603b89f0f927fb74e9fcb [0,0,0,1,0,0|2,0,1]=4 3468 B12R1.310 CCNC(=O)CCNCC1CC1 3c1a832a86a7dc9d6c3f06dbc393f017 [0,0,0,1,0,0|3,0,0]=4 3469 B12R1.310 CCNC(=O)CCOCC1CC1 61e8f3bf495d8d92ee17b6c5e62c46ba [0,0,0,1,0,0|3,0,0]=4 3470 B12R1.310 CCNC(=O)CNCCC1CC1 8ad3b04a6e9f0c816c521baa85f43402 [0,0,0,1,0,0|3,0,0]=4 3471 B12R1.310 CCNC(=O)COCCC1CC1 e276248ced3940d7460cf97579f1b9ea [0,0,0,1,0,0|3,0,0]=4 3472 B12R1.310 CCOC(=O)CCCNC1CC1 77dd52c73571f9442c46d8beeccc943a [0,0,0,1,0,0|3,0,0]=4 3473 B12R1.310 CCOC(=O)CCCOC1CC1 3d3a83f15beb306bdfdc95ab152c9887 [0,0,0,1,0,0|3,0,0]=4 3474 B12R1.310 CCOC(=O)CCNCC1CC1 52eaa40e8b3df50cf94f23c6de2d80a9 [0,0,0,1,0,0|3,0,0]=4 3475 B12R1.310 CCOC(=O)CCOCC1CC1 ed8f7a42b3ca6d8edcf5098fa9e659bf [0,0,0,1,0,0|3,0,0]=4 3476 B12R1.310 CCOC(=O)CNCCC1CC1 1df18f0b9f18a254c9bb8ce694c97667 [0,0,0,1,0,0|3,0,0]=4 3477 B12R1.310 CCOC(=O)COCCC1CC1 c9b01d3508f16c18b499953bc74106e7 [0,0,0,1,0,0|3,0,0]=4 3478 B12R1.310 CCOC(=O)OCNCC1CC1 7a5cf76961e7131344f26a098bc0980d [0,0,0,1,0,0|2,0,0]=3 3479 B12R1.310 CCOC(=O)OCOCC1CC1 a097b92a353b9bf41b083438dd24597d [0,0,0,1,0,0|2,0,0]=3 3480 B12R1.310 CCSC(=O)OCNCC1CC1 23e81ead4463d8f0e76d28a529d515f4 [0,0,0,1,0,0|2,0,0]=3 3481 B12R1.310 CCSC(=O)OCOCC1CC1 560e9933bfb68f8f9bb0b33a5f0edce8 [0,0,0,1,0,0|2,0,0]=3 3482 B12R1.310 COCC(=O)CNCCC1CC1 6c409632f587966f7fe92bca5ccfae1c [0,0,0,1,0,0|3,0,0]=4 3483 B12R1.310 COCC(=O)COCCC1CC1 907f497e3915512c906c876d32ae387c [0,0,0,1,0,0|3,0,0]=4 3484 B12R1.310 COCC(=O)NCCOC1CC1 9bdb5f875d8c95cf5d39ce377a97e8d1 [0,0,0,1,0,0|3,0,0]=4 3485 B12R1.310 COCC(C)OCCCC1CC1 2a097f676115fd3a8714fe4ee516f9b5 [0,0,0,1,0,0|2,0,1]=4 3486 B12R1.310 CSCC(=O)NCCOC1CC1 f2cf50719134c6cc6c31e4577722f852 [0,0,0,1,0,0|3,0,0]=4 3487 B12R1.310 O=C(CCF)NCCOC1CC1 5ce60401884f9faeb32546ba96dab900 [0,0,0,1,0,0|3,0,0]=4 3488 B12R1.310 O=C(CCO)NCCOC1CC1 493b053d378ddae46fc8e0eeaa985c4a [0,0,0,1,0,0|3,0,0]=4 3489 B12R1.310 O=C(CCS)NCCOC1CC1 1b7c30a60b88793d2787efbafb3d53a7 [0,0,0,1,0,0|3,0,0]=4 3490 B12R1.311 CCCC(=O)CNC1CCC1F 5c4ba4ded240eb483d133d6e8128720a [0,0,0,1,0,0|3,0,0]=4 3491 B12R1.311 CCCC(=O)CNC1CCC1O 27ac1d72d01a0a63eb39b27274374740 [0,0,0,1,0,0|3,0,0]=4 3492 B12R1.311 CCCC(=O)CNC1COC1C 07d5edbe6759eb58cab5882fc20be769 [0,0,0,1,0,0|3,0,0]=4 3493 B12R1.311 CCCC(=O)CN[C@@H]1CC[C@@H]1O 337186e1c699c5cc072be1d273326e72 [0,0,0,1,0,0|3,0,0]=4 3494 B12R1.311 CCCC(=O)CN[C@@H]1CC[C@H]1C c2cdfe9e8750f1b09ad2a0ee2b6588ff [0,0,0,1,0,0|2,0,0]=3 3495 B12R1.311 CCCC(=O)CN[C@@H]1CC[C@H]1O bdd1bd72d6f697f760dceb85e6aec0a7 [0,0,0,1,0,0|3,0,0]=4 3496 B12R1.311 CCCC(=O)CN[C@H]1CC[C@@H]1O 617bd842ab34f84916c35859b8b9c9a1 [0,0,0,1,0,0|3,0,0]=4 3497 B12R1.311 CCCC(=O)CN[C@H]1CC[C@H]1C 7c4d1bc2825bf7f971b7446c3fc9d711 [0,0,0,1,0,0|2,0,0]=3 3498 B12R1.311 CCCC(=O)CN[C@H]1CC[C@H]1O 98702b192045765f20a4106f256ed227 [0,0,0,1,0,0|3,0,0]=4 3499 B12R1.311 CCCC(=O)COC1COC1C 05a7e6ed66c2fb2eeceadc1db6a45c78 [0,0,0,1,0,0|3,0,0]=4 3500 B12R1.311 CCCC(=O)NCC1CCN1C e409ec19eaf7af1b38ef61b39eb80521 [0,0,0,1,0,0|2,0,0]=3 3501 B12R1.311 CCCC(C)OCC1CCC1F 9e7c1cf2174d1fb80bee87c6e33d1c0e [0,0,0,1,0,0|2,0,1]=4 3502 B12R1.311 CCCC(C)OCC1CCN1C a37e3c9b3e9c2b7c24f02d4924a65288 [0,0,0,1,0,0|2,0,1]=4 3503 B12R1.311 CCCC(C)OC[C@@H]1CCN1C 93f44479c10432d8d68c241c1837a92f [0,0,0,1,0,0|2,0,1]=4 3504 B12R1.311 CCCC(C)OC[C@H]1CCN1C e78352b4356ce4678c0599affaa5c1a8 [0,0,0,1,0,0|2,0,1]=4 3505 B12R1.311 CCNC(=O)CN[C@@H]1CC[C@H]1C 2753d24cf05f6fbbc3c608260e2e3a1d [0,0,0,1,0,0|3,0,0]=4 3506 B12R1.311 CCNC(=O)CN[C@H]1CC[C@H]1C a6cfce920fa03d7f45498d9ab3678a55 [0,0,0,1,0,0|3,0,0]=4 3507 B12R1.311 CCOC(=O)CN[C@@H]1CC[C@H]1C 24c11afa4244c11a5b06f883d341d58b [0,0,0,1,0,0|3,0,0]=4 3508 B12R1.311 CCOC(=O)CN[C@H]1CC[C@H]1C 4a9f95c444a81600726992076b03c5af [0,0,0,1,0,0|3,0,0]=4 3509 B12R1.311 CN1CCC1CNC(=O)CCF f2ea180db15bb27f48924fe4c89cf65c [0,0,0,1,0,0|3,0,0]=4 3510 B12R1.311 CN1CCC1CNC(=O)CCO 96d570d730c6a4790055bfd1f976b870 [0,0,0,1,0,0|3,0,0]=4 3511 B12R1.311 CN1CCC1CNC(=O)CCS 6199bb2487426b14bb65a1a4c361b2b9 [0,0,0,1,0,0|3,0,0]=4 3512 B12R1.311 COCC(=O)CN[C@@H]1CC[C@H]1C 1475afd28ebb0cdfd53ce7a87e615e40 [0,0,0,1,0,0|3,0,0]=4 3513 B12R1.311 COCC(=O)CN[C@H]1CC[C@H]1C b239e6a25dfe02c68d1cd48e2a1c9a08 [0,0,0,1,0,0|3,0,0]=4 3514 B12R1.311 COCC(=O)NCC1CCN1C 5ab33ef11c20a83f8c3658679494bdb9 [0,0,0,1,0,0|3,0,0]=4 3515 B12R1.311 CSCC(=O)NCC1CCN1C ed80f365c19190292e65716abec87cb3 [0,0,0,1,0,0|3,0,0]=4 3516 B12R1.315 C#CCC(=O)NCCC1CCC1 82c7b835cdff3c651f0bff7d2fa5ed5b [0,0,0,1,0,0|1,0,2]=4 3517 B12R1.315 C/C=C/C(=O)NCCC1CCC1 3781784ec4c97b99f5de6d39ec53c57b [0,0,0,1,0,0|1,0,2]=4 3518 B12R1.315 C=CCC(=O)NCCC1CCC1 0395ad488e0640de7a53b357936cb3be [0,0,0,1,0,0|1,0,2]=4 3519 B12R1.315 CC#CC(=O)NCCC1CCC1 e61693681cb54c83f9cf57d9c3950d6a [0,0,0,1,0,0|1,0,2]=4 3520 B12R1.315 CCCC(=O)CNCC1CCC1 27281dff6f9946712929ef1a2d15c447 [0,0,0,1,0,0|2,0,0]=3 3521 B12R1.315 CCCC(=O)CNCC1CCO1 2c9aa811a844e459c0ae7420528d4837 [0,0,0,1,0,0|3,0,0]=4 3522 B12R1.315 CCCC(=O)CNCC1COC1 f8839bdff691874f8193beb0077aa6a0 [0,0,0,1,0,0|3,0,0]=4 3523 B12R1.315 CCCC(=O)CNC[C@@H]1CCO1 bd2e8f3d54e002ce80fa961b8b09f2d3 [0,0,0,1,0,0|3,0,0]=4 3524 B12R1.315 CCCC(=O)CNC[C@H]1CCO1 c8f4488c57631acb5f8776687ec16e14 [0,0,0,1,0,0|3,0,0]=4 3525 B12R1.315 CCCC(=O)COCC1CCC1 d60493aad543ba611ec030e93a681dc5 [0,0,0,1,0,0|2,0,0]=3 3526 B12R1.315 CCCC(=O)COCC1CCO1 664eb2a85c45aa7f61cf5d56e9e43135 [0,0,0,1,0,0|3,0,0]=4 3527 B12R1.315 CCCC(=O)COCC1COC1 1edf1d052541b4033842640ccfbea7e1 [0,0,0,1,0,0|3,0,0]=4 3528 B12R1.315 CCCC(=O)COCC1CSC1 08fe8e4f6505ff76d450d6a780bb59a6 [0,0,0,1,0,0|3,0,0]=4 3529 B12R1.315 CCCC(=O)COC[C@@H]1CCO1 42dd5cef036d9f056e1330bdd3d6f16f [0,0,0,1,0,0|3,0,0]=4 3530 B12R1.315 CCCC(=O)COC[C@H]1CCO1 eda1e02dc4a44dfc95d266ab643e0c85 [0,0,0,1,0,0|3,0,0]=4 3531 B12R1.315 CCCC(=O)NCCC1CCC1 549fc1b699f41761744f1a3c4fdf8ffc [0,0,0,1,0,0|1,0,0]=2 3532 B12R1.315 CCCC(=O)NCCC1CCO1 8189c68730c638b16c10ba9ef2bcb817 [0,0,0,1,0,0|2,0,0]=3 3533 B12R1.315 CCCC(=O)NCCC1COC1 b61e6382a2223efbe5d6db8257f6e1a1 [0,0,0,1,0,0|2,0,0]=3 3534 B12R1.315 CCCC(=O)NCCN1CCC1 a09804f8d584f0b958284f809b96b83d [0,0,0,1,0,0|2,0,0]=3 3535 B12R1.315 CCCC(=O)NCC[C@@H]1CCO1 3b823b36d7475cc335fe3267a11dd09f [0,0,0,1,0,0|2,0,0]=3 3536 B12R1.315 CCCC(=O)OCNC1CCC1 aedd0edf9c7670a18cdc341b4c3d779c [0,0,0,1,0,0|1,0,0]=2 3537 B12R1.315 CCCC(=O)OCNC1COC1 0e8fc202424c66123d8b7f4eea740ab8 [0,0,0,1,0,0|2,0,0]=3 3538 B12R1.315 CCCC(=O)OCOC1CCC1 868af7332a80d5c01a4aa342c0dc846a [0,0,0,1,0,0|1,0,0]=2 3539 B12R1.315 CCCC(=O)OCOC1COC1 37295a5e0cc34e2ab2692c5aa727badb [0,0,0,1,0,0|2,0,0]=3 3540 B12R1.315 CCCC(=O)OCOC1CSC1 3620f8675f4970ce29b5f4220459b075 [0,0,0,1,0,0|2,0,0]=3 3541 B12R1.315 CCCC(=S)OCCC1CCC1 20e8338f880556764713bf6a8e75c30f [0,0,0,1,0,0|0,1,0]=2 3542 B12R1.315 CCCC(=S)OCCC1CCO1 9417a236decd275228d42ffc3e3bea56 [0,0,0,1,0,0|1,1,0]=3 3543 B12R1.315 CCCC(=S)OCCC1COC1 2e6c6609fa0cbdda276ef6ff82fdca4d [0,0,0,1,0,0|1,1,0]=3 3544 B12R1.315 CCCC(C)NCCC1CCC1 0acc8516a2b4d2177a086154d31336d8 [0,0,0,1,0,0|2,0,1]=4 3545 B12R1.315 CCCC(C)OCCC1CCC1 d4ab96e7e34440fb49282cd210264e66 [0,0,0,1,0,0|1,0,1]=3 3546 B12R1.315 CCCC(C)OCCC1CCO1 4de64bba23336651148c3e125d8300d6 [0,0,0,1,0,0|2,0,1]=4 3547 B12R1.315 CCCC(C)OCCC1COC1 0f623a161fe937cb8a03aeb84c3b65db [0,0,0,1,0,0|2,0,1]=4 3548 B12R1.315 CCCC(C)OCCN1CCC1 5346cd2eb3098ddf0efdc1e2113cf351 [0,0,0,1,0,0|2,0,1]=4 3549 B12R1.315 CCCC(C)OCC[C@@H]1CCO1 00bc9d907e32ff4cc002f18388232dac [0,0,0,1,0,0|2,0,1]=4 3550 B12R1.315 CCCC(C)OCC[C@H]1CCO1 d49a385d7d683086048947e2877c0bd6 [0,0,0,1,0,0|2,0,1]=4 3551 B12R1.315 CCC[C@@H](C)OCCC1CCC1 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414d552e9bf0071cfbcbe4002cc2e08a [0,0,0,1,0,0|3,0,0]=4 3563 B12R1.315 CCOC(=O)CCNC1CCC1 da993fc1b9551118bc7d488062f9249b [0,0,0,1,0,0|3,0,0]=4 3564 B12R1.315 CCOC(=O)CCOC1CCC1 d9327980f76916f039b388169945b823 [0,0,0,1,0,0|3,0,0]=4 3565 B12R1.315 CCOC(=O)CNCC1CCC1 47a0f771ce2225c6455abfe8f9eeafb5 [0,0,0,1,0,0|3,0,0]=4 3566 B12R1.315 CCOC(=O)COCC1CCC1 c8ce7c899ad84654b5fad4d5992ac45c [0,0,0,1,0,0|3,0,0]=4 3567 B12R1.315 CCOC(=O)OCNC1CCC1 e4db422c7defe383fe065e0634dda263 [0,0,0,1,0,0|2,0,0]=3 3568 B12R1.315 CCOC(=O)OCNC1COC1 0ee81f381f51ae4b5a23fd9a5b1bb854 [0,0,0,1,0,0|3,0,0]=4 3569 B12R1.315 CCOC(=O)OCOC1CCC1 99109b7a6320c08c1888ac48b72bcbe7 [0,0,0,1,0,0|2,0,0]=3 3570 B12R1.315 CCOC(=O)OCOC1COC1 01f97ddd8d8ae0acc0d8a2dadcbafa1c [0,0,0,1,0,0|3,0,0]=4 3571 B12R1.315 CCOC(=O)OCOC1CSC1 33a1242e846ac8b5ffcc47297b44816e [0,0,0,1,0,0|3,0,0]=4 3572 B12R1.315 CCSC(=O)OCNC1CCC1 56fcda8ae6089bdc04707d26555d2e8b [0,0,0,1,0,0|2,0,0]=3 3573 B12R1.315 CCSC(=O)OCNC1COC1 fea0705af4af3c620f2fa3b9083d38ae [0,0,0,1,0,0|3,0,0]=4 3574 B12R1.315 CCSC(=O)OCOC1CCC1 8970f28dbd65669aa9382a92ba0d5f9f [0,0,0,1,0,0|2,0,0]=3 3575 B12R1.315 CCSC(=O)OCOC1COC1 7a9feb7573a63e6a1a0e7edd094ff4e8 [0,0,0,1,0,0|3,0,0]=4 3576 B12R1.315 CCSC(=O)OCOC1CSC1 29223575ce467425c8240cb7c289443d [0,0,0,1,0,0|3,0,0]=4 3577 B12R1.315 COCC(=O)CNCC1CCC1 ff52397dfec4a6d6e807df184779f88a [0,0,0,1,0,0|3,0,0]=4 3578 B12R1.315 COCC(=O)COCC1CCC1 30de02f52fd6f86546cf3a6673c3f110 [0,0,0,1,0,0|3,0,0]=4 3579 B12R1.315 COCC(=O)NCCC1CCC1 b8bc237ec306c19c55aa6164add3d0e7 [0,0,0,1,0,0|2,0,0]=3 3580 B12R1.315 COCC(=O)NCCC1CCO1 1daff80a04387d3fe757a693c2b84337 [0,0,0,1,0,0|3,0,0]=4 3581 B12R1.315 COCC(=O)NCCC1COC1 adc4827570e8e58088804a16ad3dee4a [0,0,0,1,0,0|3,0,0]=4 3582 B12R1.315 COCC(=O)NCCN1CCC1 bb40d51c42a999828198e5eb7570686a [0,0,0,1,0,0|3,0,0]=4 3583 B12R1.315 COCC(=O)NCC[C@@H]1CCO1 2f0af415d66cc4f5fb5977daedc375ed [0,0,0,1,0,0|3,0,0]=4 3584 B12R1.315 COCC(C)OCCC1CCC1 00ae51db47ec8e8faa5f072eb189fcbc [0,0,0,1,0,0|2,0,1]=4 3585 B12R1.315 COC[C@@H](C)OCCC1CCC1 64fd862602e06087706bf404923ec4fa [0,0,0,1,0,0|2,0,1]=4 3586 B12R1.315 COC[C@H](C)OCCC1CCC1 dc680ff7836d900d3fdcc279dfd9c2f9 [0,0,0,1,0,0|2,0,1]=4 3587 B12R1.315 CSCC(=O)NCCC1CCC1 9e367dbdb259541050c75d6e2f8b9425 [0,0,0,1,0,0|2,0,0]=3 3588 B12R1.315 CSCC(=O)NCCC1CCO1 dec4c0a5b087f9855cac80070d31c0ee [0,0,0,1,0,0|3,0,0]=4 3589 B12R1.315 CSCC(=O)NCCC1COC1 796ade0619e5ddeca1e1e7c1f40cf7c4 [0,0,0,1,0,0|3,0,0]=4 3590 B12R1.315 CSCC(=O)NCCN1CCC1 e891c0b0669ca78e90179a9b9ff2681b [0,0,0,1,0,0|3,0,0]=4 3591 B12R1.315 CSCC(=O)NCC[C@@H]1CCO1 f1a4face902ceacb6ea9b0e8beef197b [0,0,0,1,0,0|3,0,0]=4 3592 B12R1.315 CSCC(C)OCCC1CCC1 e5acf7a9b9df3574d65312550dc79fd3 [0,0,0,1,0,0|2,0,1]=4 3593 B12R1.315 N#CCC(=O)NCCC1CCC1 8e9f1c55eb01e6cf5dda0c766676632c [0,0,0,1,0,0|2,0,1]=4 3594 B12R1.315 NOCC(=O)NCCC1CCC1 33f3c405d4533bc285a01a3b6503e6ab [0,0,0,1,0,0|3,0,0]=4 3595 B12R1.315 O=C(CCF)NCCC1CCC1 0a6f201b5c5ddda8e2ceb9326552b7dd [0,0,0,1,0,0|2,0,0]=3 3596 B12R1.315 O=C(CCF)NCCC1CCO1 559eb76e8002c4ecd0d9ffc72e34ea82 [0,0,0,1,0,0|3,0,0]=4 3597 B12R1.315 O=C(CCF)NCCC1COC1 3b82600ccfc6344b64d56595c1f7c5f6 [0,0,0,1,0,0|3,0,0]=4 3598 B12R1.315 O=C(CCF)NCCN1CCC1 204734bee9c3d78e5b70d3d61be4143f [0,0,0,1,0,0|3,0,0]=4 3599 B12R1.315 O=C(CCF)NCC[C@@H]1CCO1 c3566bc492780c5c6cab71c72631f553 [0,0,0,1,0,0|3,0,0]=4 3600 B12R1.315 O=C(CCO)NCCC1CCC1 b6410d39f6d188b65b9e4a306ad2de50 [0,0,0,1,0,0|2,0,0]=3 3601 B12R1.315 O=C(CCO)NCCC1CCO1 e68994d8830aac9c9f558fc8b6cfee19 [0,0,0,1,0,0|3,0,0]=4 3602 B12R1.315 O=C(CCO)NCCC1COC1 7b381786b03f864697103b1a84b6a4f8 [0,0,0,1,0,0|3,0,0]=4 3603 B12R1.315 O=C(CCO)NCCN1CCC1 4e5a3abdaad09a4b9d2d8b3203ebcf67 [0,0,0,1,0,0|3,0,0]=4 3604 B12R1.315 O=C(CCO)NCC[C@@H]1CCO1 44b44a79d8c5ac797c349d081a1c5d63 [0,0,0,1,0,0|3,0,0]=4 3605 B12R1.315 O=C(CCS)NCCC1CCC1 c22876a92837bef78ca3ac8781a9295b [0,0,0,1,0,0|2,0,0]=3 3606 B12R1.315 O=C(CCS)NCCC1CCO1 aa15755e17a745c9586cce9d594e90fb [0,0,0,1,0,0|3,0,0]=4 3607 B12R1.315 O=C(CCS)NCCC1COC1 53e728d5e20a5ea4fc5f406c5e8312b9 [0,0,0,1,0,0|3,0,0]=4 3608 B12R1.315 O=C(CCS)NCCN1CCC1 8e5781ef877d14d39a14a427c2ff63fb [0,0,0,1,0,0|3,0,0]=4 3609 B12R1.315 O=C(CCS)NCC[C@@H]1CCO1 b73793bbda06cc34dcd4698f17e05be2 [0,0,0,1,0,0|3,0,0]=4 3610 B12R1.315 O=CCC(=O)NCCC1CCC1 41baaa64474976af2097fff5fe769807 [0,0,0,1,0,0|2,0,1]=4 3611 B12R1.316 C#CC1CCCN1C(=O)CCC 7eddb7d176696f7bddde5dfeb172ec66 [0,0,0,1,0,0|1,0,2]=4 3612 B12R1.316 C#CCC(=O)N1CCCC1CC 585fd03d21c2de518da132704f8d2e37 [0,0,0,1,0,0|1,0,2]=4 3613 B12R1.316 C#CCC(=O)N1CCC[C@H]1CC eea42988b666612e7caa69fddee68ec5 [0,0,0,1,0,0|1,0,2]=4 3614 B12R1.316 C/C=C/C(=O)N1CCCC1CC 7ca696573b977a2dc5054801b9567990 [0,0,0,1,0,0|1,0,2]=4 3615 B12R1.316 C/C=C/C(=O)N1CCC[C@H]1CC 89f1f63975b79fcc030999cdaae1b305 [0,0,0,1,0,0|1,0,2]=4 3616 B12R1.316 C=CCC(=O)N1CCCC1CC a545c22d17e16670e54fac151a3b6111 [0,0,0,1,0,0|1,0,2]=4 3617 B12R1.316 C=CCC(=O)N1CCC[C@H]1CC 206d09337df578aacfab0f1cd17eeb1d [0,0,0,1,0,0|1,0,2]=4 3618 B12R1.316 CC#CC(=O)N1CCCC1CC 82587f667798c5b988b909f42725595c [0,0,0,1,0,0|1,0,2]=4 3619 B12R1.316 CC#CC(=O)N1CCC[C@H]1CC f7afa7208b064081e7db9b5662bbf760 [0,0,0,1,0,0|1,0,2]=4 3620 B12R1.316 CCC1CCCN1C(=O)CC#N 7429d731278f8091d0c16aed982743fe [0,0,0,1,0,0|2,0,1]=4 3621 B12R1.316 CCC1CCCN1C(=O)CC=O 6b7e902cc0d11460c0f55964a00b4581 [0,0,0,1,0,0|2,0,1]=4 3622 B12R1.316 CCC1CCCN1C(=O)CCF a37a56af9509a0c72f38c0930884c49b [0,0,0,1,0,0|2,0,0]=3 3623 B12R1.316 CCC1CCCN1C(=O)CCO 4a4e8e3df831805c3f1f124348461413 [0,0,0,1,0,0|2,0,0]=3 3624 B12R1.316 CCC1CCCN1C(=O)CCS 353274e9c54b4c64307b6f4ad5643a10 [0,0,0,1,0,0|2,0,0]=3 3625 B12R1.316 CCC1CCCN1C(=O)COC a7d8343ffcb899477dcfbb07f5693d23 [0,0,0,1,0,0|2,0,0]=3 3626 B12R1.316 CCC1CCCN1C(=O)CON df49bc8571e6b5d52756ba6baf1bf451 [0,0,0,1,0,0|3,0,0]=4 3627 B12R1.316 CCC1CCCN1C(=O)CSC abf266c73be138887e00980430e43250 [0,0,0,1,0,0|2,0,0]=3 3628 B12R1.316 CCCC(=O)N1CCCC1C#N 47d992e1dae5de1642446fbdc812f980 [0,0,0,1,0,0|2,0,1]=4 3629 B12R1.316 CCCC(=O)N1CCCC1CC 6812d3ea08b8867ea9d904f4cd446b52 [0,0,0,1,0,0|1,0,0]=2 3630 B12R1.316 CCCC(=O)N1CCCC1CO 3fcc747caa6417aa7eeaebee13c8f712 [0,0,0,1,0,0|2,0,0]=3 3631 B12R1.316 CCCC(=O)N1CCCC1OC ae55c3cbfa45e64d63f129fbbe4cb7c3 [0,0,0,1,0,0|2,0,0]=3 3632 B12R1.316 CCCC(=O)N1CCC[C@@H]1CF e8c58aef14b2aec10551cb2ea05cbe4c [0,0,0,1,0,0|2,0,0]=3 3633 B12R1.316 CCCC(=O)N1CCC[C@@H]1CO b69d672274adf082e24f3308f54c5d29 [0,0,0,1,0,0|2,0,0]=3 3634 B12R1.316 CCCC(=O)N1CCC[C@H]1C#N 7b725461e4178411124659a4c762a661 [0,0,0,1,0,0|2,0,1]=4 3635 B12R1.316 CCCC(=O)N1CCC[C@H]1CC 5cba11f5e16a67053aa92c62aea88515 [0,0,0,1,0,0|1,0,0]=2 3636 B12R1.316 CCCC(=O)N1CCC[C@H]1CF 2e808189f900e61e9817328402eb81cc [0,0,0,1,0,0|2,0,0]=3 3637 B12R1.316 CCCC(=O)N1CCC[C@H]1CO 16c01d1fa4afed1bde235b08b5a9d450 [0,0,0,1,0,0|2,0,0]=3 3638 B12R1.316 CCCC(C)N1CCCC1CC 99f1baef0404467dfc245e36efb1d36c [0,0,0,1,0,0|2,0,1]=4 3639 B12R1.316 CCCC(C)N1CCC[C@H]1CC 572a44e7150374642bfd314c399f1045 [0,0,0,1,0,0|2,0,1]=4 3640 B12R1.316 CCNC(=O)C1CCCN1CC 4538ea7dddfa40d362ceb610a1a125f3 [0,0,0,1,0,0|3,0,0]=4 3641 B12R1.316 CCOC(=O)C1CCCN1CC ab3d4c22be59aef3c41ab2c4ada35ca4 [0,0,0,1,0,0|3,0,0]=4 3642 B12R1.316 CCOC(=O)[C@H]1CCCN1CC 11cdf3ede30f36a44620bef062b937f8 [0,0,0,1,0,0|3,0,0]=4 3643 B12R1.316 CC[C@@H]1CCCN1C(=O)CC#N c15ed0c339b118bde858033db058e944 [0,0,0,1,0,0|2,0,1]=4 3644 B12R1.316 CC[C@@H]1CCCN1C(=O)CC=O a5915339b7a97a655440d837508949dc [0,0,0,1,0,0|2,0,1]=4 3645 B12R1.316 CC[C@@H]1CCCN1C(=O)CCF be3fd9ddd08b18401e7cded653dc43d9 [0,0,0,1,0,0|2,0,0]=3 3646 B12R1.316 CC[C@@H]1CCCN1C(=O)CCO d1586718896a0312d469706ff182e110 [0,0,0,1,0,0|2,0,0]=3 3647 B12R1.316 CC[C@@H]1CCCN1C(=O)CCS 6dce0348c46a6ba543429c961aac6e29 [0,0,0,1,0,0|2,0,0]=3 3648 B12R1.316 CC[C@@H]1CCCN1C(=O)COC e34a7b6a8eba7e9149908f0fc61ea61d [0,0,0,1,0,0|2,0,0]=3 3649 B12R1.316 CC[C@@H]1CCCN1C(=O)CON 1d51253d26aad3bc23e80bec4403577f [0,0,0,1,0,0|3,0,0]=4 3650 B12R1.316 CC[C@@H]1CCCN1C(=O)CSC 7ebcfdd82049b663272837fe0dedc6b6 [0,0,0,1,0,0|2,0,0]=3 3651 B12R1.316 COC1CCCN1C(=O)CCF 38520bace129ed36378fbe1da757e2b6 [0,0,0,1,0,0|3,0,0]=4 3652 B12R1.316 COC1CCCN1C(=O)CCO e5d46978e1a21fa5b6721b71a05085cc [0,0,0,1,0,0|3,0,0]=4 3653 B12R1.316 COC1CCCN1C(=O)CCS c0c32d0af9e08273bda15103d1a540b7 [0,0,0,1,0,0|3,0,0]=4 3654 B12R1.316 COC1CCCN1C(=O)CSC 615ea492a413f54131e823247573abb8 [0,0,0,1,0,0|3,0,0]=4 3655 B12R1.316 COCC(=O)N1CCCC1CO a77ce6ce9d2466b9237d8deb1c3acdf0 [0,0,0,1,0,0|3,0,0]=4 3656 B12R1.316 COCC(=O)N1CCCC1OC 6b5426d1db5f3a59e821ff7f5163d24f [0,0,0,1,0,0|3,0,0]=4 3657 B12R1.316 COCC(=O)N1CCC[C@@H]1CF 464638dcc6a58d446eb4dd76fd6da6a8 [0,0,0,1,0,0|3,0,0]=4 3658 B12R1.316 COCC(=O)N1CCC[C@@H]1CO c64e4a46ea7780cfd86d3c5dfc1f63fd [0,0,0,1,0,0|3,0,0]=4 3659 B12R1.316 COCC(=O)N1CCC[C@H]1CF ce733677655c2ebe1a72717fdc08c016 [0,0,0,1,0,0|3,0,0]=4 3660 B12R1.316 COCC(=O)N1CCC[C@H]1CO 98f74d2f09ff895224d3a6d65f40b447 [0,0,0,1,0,0|3,0,0]=4 3661 B12R1.316 CSCC(=O)N1CCCC1CO 3a1433bab3f498f074ad4f3d64efd876 [0,0,0,1,0,0|3,0,0]=4 3662 B12R1.316 CSCC(=O)N1CCC[C@@H]1CF da33ea58f39a4ed0e26c51adcaf73648 [0,0,0,1,0,0|3,0,0]=4 3663 B12R1.316 CSCC(=O)N1CCC[C@@H]1CO 3d0732936d638cd12b299d99f4eb512a [0,0,0,1,0,0|3,0,0]=4 3664 B12R1.316 CSCC(=O)N1CCC[C@H]1CF 71bf59f6053e6d5c5dcd920c6e67aaee [0,0,0,1,0,0|3,0,0]=4 3665 B12R1.316 CSCC(=O)N1CCC[C@H]1CO 1cd491bb0674ec83b116045d0083216f [0,0,0,1,0,0|3,0,0]=4 3666 B12R1.316 O=C(CCF)N1CCCC1CO ab8d8a0dc34790524c25977e31b5b805 [0,0,0,1,0,0|3,0,0]=4 3667 B12R1.316 O=C(CCF)N1CCC[C@@H]1CF 84bfc952d6afa29feb76e3a93ea04368 [0,0,0,1,0,0|3,0,0]=4 3668 B12R1.316 O=C(CCF)N1CCC[C@@H]1CO e7715d90552d86bb5728cd5b77c4613d [0,0,0,1,0,0|3,0,0]=4 3669 B12R1.316 O=C(CCF)N1CCC[C@H]1CF 565d96a118c3b06ce9e55e9956397607 [0,0,0,1,0,0|3,0,0]=4 3670 B12R1.316 O=C(CCF)N1CCC[C@H]1CO c52f96d33c41fbdd504bb6f7e9512359 [0,0,0,1,0,0|3,0,0]=4 3671 B12R1.316 O=C(CCO)N1CCCC1CO 3801958d5634c60373ace50cc6bad9ed [0,0,0,1,0,0|3,0,0]=4 3672 B12R1.316 O=C(CCO)N1CCC[C@@H]1CF 26120f81d9b9c12cc5cba9945a29a2ed [0,0,0,1,0,0|3,0,0]=4 3673 B12R1.316 O=C(CCO)N1CCC[C@@H]1CO 7c3c62f9e09b901b6e490597ab33fa0c [0,0,0,1,0,0|3,0,0]=4 3674 B12R1.316 O=C(CCO)N1CCC[C@H]1CF d946824c5e66ea367b41de31cb360d81 [0,0,0,1,0,0|3,0,0]=4 3675 B12R1.316 O=C(CCO)N1CCC[C@H]1CO 8c16f19de18ff1c2ae3a02a72d9fd7d3 [0,0,0,1,0,0|3,0,0]=4 3676 B12R1.316 O=C(CCS)N1CCCC1CO b5a0c2039ed46e3fdaf8a265c8bc1216 [0,0,0,1,0,0|3,0,0]=4 3677 B12R1.316 O=C(CCS)N1CCC[C@@H]1CF da715524ef3ed46719d3f420483e202e [0,0,0,1,0,0|3,0,0]=4 3678 B12R1.316 O=C(CCS)N1CCC[C@@H]1CO a1fd6ff7014905e12e23f9896adaf3b2 [0,0,0,1,0,0|3,0,0]=4 3679 B12R1.316 O=C(CCS)N1CCC[C@H]1CF 347ca1dad7161ea281a7c8d8ffd26eca [0,0,0,1,0,0|3,0,0]=4 3680 B12R1.316 O=C(CCS)N1CCC[C@H]1CO 989922e21b5b1ccc105b18b212aca9ab [0,0,0,1,0,0|3,0,0]=4 3681 B12R1.318 CCCC(=O)CN1CCCC1C cd57ad0f5e35fd60cbe81a61b2c24d23 [0,0,0,1,0,0|2,0,0]=3 3682 B12R1.318 CCCC(=O)CN1CCCC1O 4d2fbcc8b55b248077d41befee9a29c6 [0,0,0,1,0,0|3,0,0]=4 3683 B12R1.318 CCCC(=O)CN1CCC[C@@H]1C 27da4b99ce77b8e78d684a9872cf4430 [0,0,0,1,0,0|2,0,0]=3 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604f2d3f4a537f1a8b907aee6e70c7c3 [0,0,0,1,0,0|3,0,0]=4 3695 B12R1.318 CCCC(=O)N[C@H]1COC[C@H]1F 9ffe389e6f51069bca100dfcea557e94 [0,0,0,1,0,0|3,0,0]=4 3696 B12R1.318 CCCC(=O)N[C@H]1COC[C@H]1O 330d3fa14a2b1ec9988d9660ab601dc9 [0,0,0,1,0,0|3,0,0]=4 3697 B12R1.318 CCCC(=S)OC1CCCC1=O d7b9a74837a4e342282f2263c8cb3625 [0,0,0,1,0,0|1,1,1]=4 3698 B12R1.318 CCCC(C)OC1CCCC1C 6d9852b5b86d4a5591e255a2bf1df216 [0,0,0,1,0,0|1,0,1]=3 3699 B12R1.318 CCCC(C)OC1COCC1C 289a7bbbbf17bcb13e07efe2f68951b6 [0,0,0,1,0,0|2,0,1]=4 3700 B12R1.318 CCCC(C)O[C@@H]1CCC[C@@H]1C 77a33a96ce121107da432fb7c31ffe0f [0,0,0,1,0,0|1,0,1]=3 3701 B12R1.318 CCCC(C)O[C@@H]1CCC[C@H]1C 4d4b7d9611da5e44fda4c1ecc7ec5060 [0,0,0,1,0,0|1,0,1]=3 3702 B12R1.318 CCCC(C)O[C@@H]1CCC[C@H]1F a86f925be0db86a9ec6e3648c2d1eefc [0,0,0,1,0,0|2,0,1]=4 3703 B12R1.318 CCCC(C)O[C@@H]1COC[C@@H]1C f0ad79e50e5a91d8f2636b7abb9f9168 [0,0,0,1,0,0|2,0,1]=4 3704 B12R1.318 CCCC(C)O[C@H]1CCC[C@@H]1C 98361b0670bbfb46a1ce75a1f235603c [0,0,0,1,0,0|1,0,1]=3 3705 B12R1.318 CCCC(C)O[C@H]1CCC[C@H]1C fe8b5059f493b7b099c6c2ecfcc3080b [0,0,0,1,0,0|1,0,1]=3 3706 B12R1.318 CCCC(C)O[C@H]1COC[C@@H]1C 47fb3b6d0f9206f8f6c6bec8286c3c8c [0,0,0,1,0,0|2,0,1]=4 3707 B12R1.318 CCCC(C)O[C@H]1COC[C@H]1C 6c0d8ad58f61b768b0e458be17afd4af [0,0,0,1,0,0|2,0,1]=4 3708 B12R1.318 CCNC(=O)CN1CCCC1C 90b76464e693a7a5d77a0215d664fc3e [0,0,0,1,0,0|3,0,0]=4 3709 B12R1.318 CCNC(=O)CN1CCC[C@@H]1C e089c1396832f29c09b6e80d2a019c16 [0,0,0,1,0,0|3,0,0]=4 3710 B12R1.318 CCNC(=O)CN1CCC[C@H]1C 86950f0af64e1ef35ada38b5ed8b6f8b [0,0,0,1,0,0|3,0,0]=4 3711 B12R1.318 CCOC(=O)CN1CCCC1C 31f7baa79acf9c9334cb290bb2954ba4 [0,0,0,1,0,0|3,0,0]=4 3712 B12R1.318 CCOC(=O)CN1CCC[C@@H]1C b83f42a34df412b6c9750331fd30ceee [0,0,0,1,0,0|3,0,0]=4 3713 B12R1.318 CCOC(=O)CN1CCC[C@H]1C a1a4d04b2fa1adab08a6865adfe4ca2f [0,0,0,1,0,0|3,0,0]=4 3714 B12R1.318 COCC(=O)NC1CCCC1O 9cf2017f6c1db3b8f3543f1923ee9392 [0,0,0,1,0,0|3,0,0]=4 3715 B12R1.318 COCC(=O)N[C@@H]1CCC[C@@H]1O 211ea4f4624702d95f926999f97fe8e6 [0,0,0,1,0,0|3,0,0]=4 3716 B12R1.318 COCC(=O)N[C@@H]1CCC[C@H]1O c430bff4c760284dd2a3d25e534817bc [0,0,0,1,0,0|3,0,0]=4 3717 B12R1.318 COCC(=O)N[C@H]1CCC[C@@H]1O 0ac15d0eb06ac5ea5de2928c84bb3882 [0,0,0,1,0,0|3,0,0]=4 3718 B12R1.318 COCC(=O)N[C@H]1CCC[C@H]1O 07925c498da405479f4725daac3647b3 [0,0,0,1,0,0|3,0,0]=4 3719 B12R1.318 COCC(C)OC1CCCC1C 7b5504e1be65da45aa8a129c1ef141c4 [0,0,0,1,0,0|2,0,1]=4 3720 B12R1.318 COCC(C)O[C@@H]1CCC[C@@H]1C 74b8077eca0247edc00a1887c945c1a5 [0,0,0,1,0,0|2,0,1]=4 3721 B12R1.318 COCC(C)O[C@@H]1CCC[C@H]1C d3f3fe6c3d9d83361bf6e0d95ea0b7aa [0,0,0,1,0,0|2,0,1]=4 3722 B12R1.318 COCC(C)O[C@H]1CCC[C@@H]1C 7024e7fb8506dfe6bca0bcb6172d0156 [0,0,0,1,0,0|2,0,1]=4 3723 B12R1.318 COCC(C)O[C@H]1CCC[C@H]1C 9efc7ef9ba2026a59bb5cea06ded5482 [0,0,0,1,0,0|2,0,1]=4 3724 B12R1.318 O=C(CCF)NC1CCCC1O 51fcc4e399a6580a83089443f2f5976b [0,0,0,1,0,0|3,0,0]=4 3725 B12R1.318 O=C(CCF)N[C@@H]1CCC[C@@H]1O c4cddc1eea52bcc7bae15712855c64ca [0,0,0,1,0,0|3,0,0]=4 3726 B12R1.318 O=C(CCF)N[C@@H]1CCC[C@H]1O 5efc4585ff19aa2bace2633599cfaae1 [0,0,0,1,0,0|3,0,0]=4 3727 B12R1.318 O=C(CCF)N[C@H]1CCC[C@@H]1O 59588d29f50b1f0b1860edfa4737dfd2 [0,0,0,1,0,0|3,0,0]=4 3728 B12R1.318 O=C(CCF)N[C@H]1CCC[C@H]1O 3ff5bd2b83b8a638b780d89dc45f919c [0,0,0,1,0,0|3,0,0]=4 3729 B12R1.318 O=C(CCS)NC1CCCC1O b1badab3720d00f5be909cd13bbdf183 [0,0,0,1,0,0|3,0,0]=4 3730 B12R1.318 O=C(CCS)N[C@@H]1CCC[C@@H]1O a12340a5e729a38e7e9be1a5d2e121c1 [0,0,0,1,0,0|3,0,0]=4 3731 B12R1.318 O=C(CCS)N[C@@H]1CCC[C@H]1O 5184b152e0444d2110d65a2bc8c4953b [0,0,0,1,0,0|3,0,0]=4 3732 B12R1.318 O=C(CCS)N[C@H]1CCC[C@@H]1O 7b192b618450f87ed934895e9c0b6e53 [0,0,0,1,0,0|3,0,0]=4 3733 B12R1.318 O=C(CCS)N[C@H]1CCC[C@H]1O ad3279fe923a0c8aebf228460ea7aa78 [0,0,0,1,0,0|3,0,0]=4 3734 B12R1.319 CCC1CCN1CC(=O)COC 1c4325138634f5af5df6db0cc1d61879 [0,0,0,1,0,0|3,0,0]=4 3735 B12R1.319 CCCC(=O)CN1CCC1CC d89e6c1ead0f68f00a3807dbe2a66491 [0,0,0,1,0,0|2,0,0]=3 3736 B12R1.319 CCCC(=O)CN1CCC1CO c04cb6976f84f137fcd5dbbcb9315330 [0,0,0,1,0,0|3,0,0]=4 3737 B12R1.319 CCCC(=O)CN1CC[C@@H]1CO c519662c523766c44799f741815317a3 [0,0,0,1,0,0|3,0,0]=4 3738 B12R1.319 CCCC(=O)CN1CC[C@H]1CO e1431056874f7f26ff54130db4aaddd1 [0,0,0,1,0,0|3,0,0]=4 3739 B12R1.319 CCCC(=O)NC1CCC1OC 597b043e870f98edc289411ed79ca361 [0,0,0,1,0,0|2,0,0]=3 3740 B12R1.319 CCCC(=O)N[C@@H]1CC[C@@H]1OC c4a5fe8b56282e7f80a3339f63133cbd [0,0,0,1,0,0|2,0,0]=3 3741 B12R1.319 CCCC(=O)N[C@@H]1CC[C@H]1OC b6b3b338c38b6bab7ea10e20ffbefddb [0,0,0,1,0,0|2,0,0]=3 3742 B12R1.319 CCCC(=O)N[C@H]1CC[C@@H]1OC 0bae70a722267a348ed47b1417d508e9 [0,0,0,1,0,0|2,0,0]=3 3743 B12R1.319 CCCC(=O)N[C@H]1CC[C@H]1OC b73a95a8e6d7249f5e770f7972e785de [0,0,0,1,0,0|2,0,0]=3 3744 B12R1.319 CCNC(=O)CN1CCC1CC dddf15d1f4d9f20e8531e72c1de9383f [0,0,0,1,0,0|3,0,0]=4 3745 B12R1.319 CCOC(=O)CN1CCC1CC 0114c597e73d29d982209132513bea97 [0,0,0,1,0,0|3,0,0]=4 3746 B12R1.319 COC1CCC1NC(=O)CCF 4ff1bbf94d8ea6838faf2c3c292fed64 [0,0,0,1,0,0|3,0,0]=4 3747 B12R1.319 COC1CCC1NC(=O)CCO becf785225527c0f25b448d48d6c8ee8 [0,0,0,1,0,0|3,0,0]=4 3748 B12R1.319 COC1CCC1NC(=O)CCS cc2435377e477ec5bdbac13cb0c03120 [0,0,0,1,0,0|3,0,0]=4 3749 B12R1.319 COC1CCC1NC(=O)CSC bd67f41417bb001b5e75b12bdf29b2b9 [0,0,0,1,0,0|3,0,0]=4 3750 B12R1.319 COCC(=O)NC1CCC1OC d9ab80eb68fb8dd89d789ec64bf41b1d [0,0,0,1,0,0|3,0,0]=4 3751 B12R1.319 COCC(=O)N[C@@H]1CC[C@@H]1OC b45e696733bacb345b5008854ecf7cf9 [0,0,0,1,0,0|3,0,0]=4 3752 B12R1.319 COCC(=O)N[C@@H]1CC[C@H]1OC 93e4a90b34a3dee78d8e59ea46b5dde2 [0,0,0,1,0,0|3,0,0]=4 3753 B12R1.319 COCC(=O)N[C@H]1CC[C@@H]1OC f91c3710c9cae83da18c19865739bf72 [0,0,0,1,0,0|3,0,0]=4 3754 B12R1.319 COCC(=O)N[C@H]1CC[C@H]1OC cb39e2a8014b4688584d44c97479d7c2 [0,0,0,1,0,0|3,0,0]=4 3755 B12R1.319 CO[C@@H]1CC[C@@H]1NC(=O)CCF d93c8438c07e9602c26a5f6df10d7a3e [0,0,0,1,0,0|3,0,0]=4 3756 B12R1.319 CO[C@@H]1CC[C@@H]1NC(=O)CCO 68de930f4bd035af2b6af2b9c3cd54ca [0,0,0,1,0,0|3,0,0]=4 3757 B12R1.319 CO[C@@H]1CC[C@@H]1NC(=O)CCS 5c2fcd9f95792aab3e5bebe23287932b [0,0,0,1,0,0|3,0,0]=4 3758 B12R1.319 CO[C@@H]1CC[C@@H]1NC(=O)CSC 8e334d78eccea741e27e46622354e865 [0,0,0,1,0,0|3,0,0]=4 3759 B12R1.319 CO[C@@H]1CC[C@H]1NC(=O)CCF 4c64bce3bc8ee8a0a85dd2a464c85806 [0,0,0,1,0,0|3,0,0]=4 3760 B12R1.319 CO[C@@H]1CC[C@H]1NC(=O)CCO 0a617d869447dc4ea0ca92344261b01f [0,0,0,1,0,0|3,0,0]=4 3761 B12R1.319 CO[C@@H]1CC[C@H]1NC(=O)CCS 96146ae29cec60ca4bd9086c38bcea14 [0,0,0,1,0,0|3,0,0]=4 3762 B12R1.319 CO[C@@H]1CC[C@H]1NC(=O)CSC 632fc723bf1939a8d9fa600801a21674 [0,0,0,1,0,0|3,0,0]=4 3763 B12R1.319 CO[C@H]1CC[C@@H]1NC(=O)CCF 3136f33464fa79c15b3d287fbb522960 [0,0,0,1,0,0|3,0,0]=4 3764 B12R1.319 CO[C@H]1CC[C@@H]1NC(=O)CCO 3e78f1ab02b1535afef2962ab5ff3d02 [0,0,0,1,0,0|3,0,0]=4 3765 B12R1.319 CO[C@H]1CC[C@@H]1NC(=O)CCS 6ba171e09acee9b88c0a41302a714ac7 [0,0,0,1,0,0|3,0,0]=4 3766 B12R1.319 CO[C@H]1CC[C@@H]1NC(=O)CSC 1fe9fd0543973f734e59b483d1f3edec [0,0,0,1,0,0|3,0,0]=4 3767 B12R1.319 CO[C@H]1CC[C@H]1NC(=O)CCF fb54fcb3a4d62122dc83e631ae4af5ae [0,0,0,1,0,0|3,0,0]=4 3768 B12R1.319 CO[C@H]1CC[C@H]1NC(=O)CCO e3245424b0cc9371717ac3b998f3badf [0,0,0,1,0,0|3,0,0]=4 3769 B12R1.319 CO[C@H]1CC[C@H]1NC(=O)CCS 910afc06158197fb7d949b772a050537 [0,0,0,1,0,0|3,0,0]=4 3770 B12R1.319 CO[C@H]1CC[C@H]1NC(=O)CSC d063af19fbf94d0bfcb2087b3ade15e9 [0,0,0,1,0,0|3,0,0]=4 3771 B12R1.323 CCCN[C@@H]1C[C@@H]1C(=O)OCC fe040363585cc81fd2823b1fdfbbe67d [0,0,0,1,0,0|3,0,0]=4 3772 B12R1.323 CCCN[C@H]1C[C@H]1C(=O)OCC 0f7eadeab4221258207ecb40150121cb [0,0,0,1,0,0|3,0,0]=4 3773 B12R1.323 CCCO[C@@H]1C[C@@H]1C(=O)OCC 75aac217bd9dee89998b32986cba2ede [0,0,0,1,0,0|3,0,0]=4 3774 B12R1.323 CCCO[C@H]1C[C@H]1C(=O)OCC 650ce867e1dbd793bb25c017969d15b8 [0,0,0,1,0,0|3,0,0]=4 3775 B12R1.323 CCOCC1CC1C(=O)OCC 319462a697cdea7a1cd97595a4a83af5 [0,0,0,1,0,0|3,0,0]=4 3776 B12R1.323 CCOC[C@@H]1C[C@@H]1C(=O)OCC 4319ae56226d61adb72979533dad66d1 [0,0,0,1,0,0|3,0,0]=4 3777 B12R1.323 CCOC[C@@H]1C[C@H]1C(=O)OCC 0785d741bc6695194d783c097123b3d2 [0,0,0,1,0,0|3,0,0]=4 3778 B12R1.323 CCOC[C@H]1C[C@@H]1C(=O)OCC c122c5eaf8c44afa615cd4de1df48944 [0,0,0,1,0,0|3,0,0]=4 3779 B12R1.348 CCCCN1CCCC(=O)CC1 362f8610db3ef8625f816140d48d2ee2 [0,0,0,1,0,0|2,0,0]=3 3780 B12R1.348 CCCCN1CCNC(=O)CC1 0c3e704787f8e6831b0649b775a47140 [0,0,0,1,0,0|3,0,0]=4 3781 B12R1.348 CCCOC1CCCC(=O)NC1 a17f0ae950cf40edc28159112625c840 [0,0,0,1,0,0|2,0,0]=3 3782 B12R1.348 CCOCC1CCNC(=O)CC1 7528055642b890c7453fcdd36162ad1a [0,0,0,1,0,0|3,0,0]=4 3783 B12R1.348 COCCN1CCCC(=O)CC1 6a6ba18de3505fa776b1c85f3175f5dc [0,0,0,1,0,0|3,0,0]=4 3784 B12R1.348 COCOC1CCCC(=O)NC1 108961a3f1f7097712b9e55c1dbc2668 [0,0,0,1,0,0|3,0,0]=4 3785 B12R1.348 CSCCN1CCCC(=O)CC1 0bbbe8722bf234b8a7dd351463fc7e0a [0,0,0,1,0,0|3,0,0]=4 3786 B12R1.348 CSCOC1CCCC(=O)NC1 3c5580462aab68fb4846c3848fdc3bcf [0,0,0,1,0,0|3,0,0]=4 3787 B12R1.348 O=C1CCCC(CN1)OCCF 4ca01b8c35b198a6c07e0f7f5115aac5 [0,0,0,1,0,0|3,0,0]=4 3788 B12R1.348 O=C1CCCC(CN1)OCCS 518f48565ed89f50449204c3da767a32 [0,0,0,1,0,0|3,0,0]=4 3789 B12R1.348 O=C1CCCN(CC1)CCCF 95de03d7e0fb13de59b9c2387dec8c10 [0,0,0,1,0,0|3,0,0]=4 3790 B12R1.348 O=C1CCCN(CC1)CCCO 5f7d736eade38f0b7887d23934c26571 [0,0,0,1,0,0|3,0,0]=4 3791 B12R1.348 O=C1CCCN(CC1)CCCS b5c62adc1c1d08878400c26202fb0ada [0,0,0,1,0,0|3,0,0]=4 3792 B12R1.372 CCCCCCN1CCCC1C 7571f56f01f43c077f9cdc88ca90bb82 [0,0,0,1,0,0|2,0,1]=4 3793 B12R1.372 CCCCCCN1CCCC1O f424e460d055ec4bd825050a88b4c382 [0,0,0,1,0,0|1,0,2]=4 3794 B12R1.372 CCCCCCN1CCC[C@@H]1C ba6312d9a3971d32340905c722901bda [0,0,0,1,0,0|2,0,1]=4 3795 B12R1.372 CCCCCCN1CCC[C@H]1C db72e092c2151508d1027df58203b53c [0,0,0,1,0,0|2,0,1]=4 3796 B12R1.372 CCCCCNC1CCCC1=O ee442f970f1fa1ee4a9db9391b24d53a [0,0,0,1,0,0|2,0,0]=3 3797 B12R1.372 CCCCCNC1CCNC1=O b5b11464e34ca7be5ae68c50ed213575 [0,0,0,1,0,0|3,0,0]=4 3798 B12R1.372 CCCCCNC1CCSC1=O 802e02600aa87d7fe805608c11f18a23 [0,0,0,1,0,0|3,0,0]=4 3799 B12R1.372 CCCCCN[C@@H]1CCNC1=O 892385b118360b4565519333248ab3dd [0,0,0,1,0,0|3,0,0]=4 3800 B12R1.372 CCCCCN[C@@H]1CCOC1=O 7212ebc7be958345e7bfa471743aa816 [0,0,0,1,0,0|3,0,0]=4 3801 B12R1.372 CCCCCN[C@H]1CCNC1=O fb4d9d978b0b440ba8eb3a9b0ac2d0b9 [0,0,0,1,0,0|3,0,0]=4 3802 B12R1.372 CCCCCN[C@H]1CCOC1=O 618588e0860ed1267536e804aa87f039 [0,0,0,1,0,0|3,0,0]=4 3803 B12R1.372 CCCCCOC1=CCCC1=O aced0a663d03525810afb4d7d1fd266e [0,0,0,1,0,0|2,0,1]=4 3804 B12R1.372 CCCCCOC1CCCC1=O 8a94f72c221bfb3778ff555968a511d0 [0,0,0,1,0,0|2,0,0]=3 3805 B12R1.372 CCCCCOC1CCNC1=O a88bf4ea9896d6460f8e3bc84a5fbeb5 [0,0,0,1,0,0|3,0,0]=4 3806 B12R1.372 CCCCCO[C@@H]1CCNC1=O a980c3a66196f4b1dbcfcc5c360a295d [0,0,0,1,0,0|3,0,0]=4 3807 B12R1.372 CCCCCO[C@H]1CCNC1=O 1ed61ea4c0c0fefb63ad3eb8a029cd25 [0,0,0,1,0,0|3,0,0]=4 3808 B12R1.372 CCCCNCC1CCNC1=O 8d3e15dfa61debdb3c9a5e0239b97a03 [0,0,0,1,0,0|3,0,0]=4 3809 B12R1.372 CCCCNCN1CCCC1=O c5ae5812969cc9da5c4626849cdc1818 [0,0,0,1,0,0|2,0,0]=3 3810 B12R1.372 CCCCOCC1=CCCC1=O 021c1b15205db97e8b40d819f0fded41 [0,0,0,1,0,0|2,0,1]=4 3811 B12R1.372 CCCCOCC1CCCC1=O 56225e28d37f7f94bad2272cfa718879 [0,0,0,1,0,0|2,0,0]=3 3812 B12R1.372 CCCCOCC1CCNC1=O eb1643d8e0010ad52ae0ef452ba55594 [0,0,0,1,0,0|3,0,0]=4 3813 B12R1.372 CCCCOCN1CCCC1=O 580af75aeeffe9cecf4715ca31375fb3 [0,0,0,1,0,0|2,0,0]=3 3814 B12R1.372 CCCNCCC1CCNC1=O 24463c5f401282f211301d72def9d51d [0,0,0,1,0,0|3,0,0]=4 3815 B12R1.372 CCCNCCN1CCCC1=O 38f0f8ba483f1750ff441fc6bdfc384c [0,0,0,1,0,0|2,0,0]=3 3816 B12R1.372 CCCNCCN1CCNC1=O 331ea28d0900e6eecff407cf68823feb [0,0,0,1,0,0|3,0,0]=4 3817 B12R1.372 CCCOCCC1CCNC1=O ac53f15b35b284415b985905fa48111b [0,0,0,1,0,0|3,0,0]=4 3818 B12R1.372 CCCOCCN1CCCC1=O 7b5ed8bcb4a3c5a6085cdd9832fd6bf3 [0,0,0,1,0,0|2,0,0]=3 3819 B12R1.372 CCCOCCN1CCNC1=O 84dca610785737bc3c517858c4e6cfe0 [0,0,0,1,0,0|3,0,0]=4 3820 B12R1.372 CCNCCCN1CCCC1=O eb7727125c7e45885d666a75794c1e2c [0,0,0,1,0,0|2,0,0]=3 3821 B12R1.372 CCOCCCN1CCCC1=O b7a5a9adf6e9c3b980ad8af856bf4c51 [0,0,0,1,0,0|2,0,0]=3 3822 B12R1.372 CCOCCOC1CCCC1=O d125479d74b837a3643280d45d7c5c82 [0,0,0,1,0,0|3,0,0]=4 3823 B12R1.372 CCOCOCC1CCCC1=O 01dde0e5f84b13c22dc68589cf880004 [0,0,0,1,0,0|3,0,0]=4 3824 B12R1.372 CCOCOCN1CCCC1=O b0506732145ba49ea4445aadd97b06d9 [0,0,0,1,0,0|3,0,0]=4 3825 B12R1.372 CCSCCNC1CCCC1=O cb488dfae780168f159814ba3c24569f [0,0,0,1,0,0|3,0,0]=4 3826 B12R1.372 CCSCCOC1CCCC1=O 22337a27a9a12bba96ad7c59eb5b046f [0,0,0,1,0,0|3,0,0]=4 3827 B12R1.372 COCCCOC1CCCC1=O 34d0e8a582a1ed1d985e8a2d5f75f0fd [0,0,0,1,0,0|3,0,0]=4 3828 B12R1.372 COCCNCN1CCCC1=O 822b03ac72d0c6268e9e929297b132ad [0,0,0,1,0,0|3,0,0]=4 3829 B12R1.372 COCCOCC1CCCC1=O 3bf01d1567b29d97d5c85c76ead134e4 [0,0,0,1,0,0|3,0,0]=4 3830 B12R1.372 COCCOCN1CCCC1=O 27b1d3dd3d9030fbda25d9dd765b1add [0,0,0,1,0,0|3,0,0]=4 3831 B12R1.372 COCNCCN1CCCC1=O 3c45bab28329468dc9d00ea128d0bf90 [0,0,0,1,0,0|3,0,0]=4 3832 B12R1.372 COCOCCN1CCCC1=O 369f65603df36fd921f2665a60a8358a [0,0,0,1,0,0|3,0,0]=4 3833 B12R1.372 CSCCCNC1CCCC1=O 92b433124fe138e460d03b0a7668ca7d [0,0,0,1,0,0|3,0,0]=4 3834 B12R1.372 CSCCCOC1CCCC1=O 1ff07198924dce1ed7eea01d7ce2b64a [0,0,0,1,0,0|3,0,0]=4 3835 B12R1.372 CSCCNCN1CCCC1=O 6f14e60cc08b8775fb8231765c7a2a97 [0,0,0,1,0,0|3,0,0]=4 3836 B12R1.372 CSCCOCC1CCCC1=O f09eb6c11c761ed831ee3036ba66ec54 [0,0,0,1,0,0|3,0,0]=4 3837 B12R1.372 CSCCOCN1CCCC1=O aca5ac002f6cfbacdaa2e7b00f3b885e [0,0,0,1,0,0|3,0,0]=4 3838 B12R1.372 CSCNCCN1CCCC1=O be59ba66e4828b9324d2f3cdef4969f6 [0,0,0,1,0,0|3,0,0]=4 3839 B12R1.372 CSCOCCN1CCCC1=O e2f0d65a89b48da0181f8d74c2e948a0 [0,0,0,1,0,0|3,0,0]=4 3840 B12R1.372 O=C1CCCC1COCCCF 4dfe15b582532d815351c110d587afec [0,0,0,1,0,0|3,0,0]=4 3841 B12R1.372 O=C1CCCC1COCCCS 68c99b9bdff22eb14860db41a4adc0b5 [0,0,0,1,0,0|3,0,0]=4 3842 B12R1.372 O=C1CCCC1NCCCCCl afca07d6ff322d2a6ae1cd7a57ea6cea [0,0,0,1,0,0|3,0,0]=4 3843 B12R1.372 O=C1CCCC1NCCCCO 122e0ed28f36539e4f892f5b8472123a [0,0,0,1,0,0|3,0,0]=4 3844 B12R1.372 O=C1CCCC1NCCCCS a886ab336dcfe1a1334ae60eb1694fda [0,0,0,1,0,0|3,0,0]=4 3845 B12R1.372 O=C1CCCC1OCCCCF 4f81d63044fc9c752ffcf2783f878862 [0,0,0,1,0,0|3,0,0]=4 3846 B12R1.372 O=C1CCCC1OCCCCS 0fccd70f083bcb9daf5e1bee5f1e8dc0 [0,0,0,1,0,0|3,0,0]=4 3847 B12R1.372 O=C1CCCN1CCCNCF bf1c2368faacb67c97655b33c4e49991 [0,0,0,1,0,0|3,0,0]=4 3848 B12R1.372 O=C1CCCN1CCCNCO 451ee78ded5b4dc425973da97d9f471f [0,0,0,1,0,0|3,0,0]=4 3849 B12R1.372 O=C1CCCN1CCCOCF 4e0eb7f432b60eb3db61a127e5fc1ede [0,0,0,1,0,0|3,0,0]=4 3850 B12R1.372 O=C1CCCN1CCNCCBr b263451a37b92b462d2494aadf70aa44 [0,0,0,1,0,0|3,0,0]=4 3851 B12R1.372 O=C1CCCN1CCNCCF fa6a00a8d3ac7cfc7f49c14070a59344 [0,0,0,1,0,0|3,0,0]=4 3852 B12R1.372 O=C1CCCN1CCNCCI aef00bd89f75a34bb9b6639e1e48cf60 [0,0,0,1,0,0|3,0,0]=4 3853 B12R1.372 O=C1CCCN1CCNCCO 0ea0712c1ed20e2c14647236a9d6e9ef [0,0,0,1,0,0|3,0,0]=4 3854 B12R1.372 O=C1CCCN1CCNCCS 56bead2e4ee27093f7135878940daea6 [0,0,0,1,0,0|3,0,0]=4 3855 B12R1.372 O=C1CCCN1CCOCCF 9eda54008e6a8caeb2c48c99cb5bc65c [0,0,0,1,0,0|3,0,0]=4 3856 B12R1.372 O=C1CCCN1CCOCCS 0903b2b6bcc65e20eefc2a9fc68d8d2b [0,0,0,1,0,0|3,0,0]=4 3857 B12R1.372 O=C1CCCN1CNCCCCl 0c0ef02236344f8f1f5750927283840c [0,0,0,1,0,0|3,0,0]=4 3858 B12R1.372 O=C1CCCN1CNCCCO 6ff4d3a4b8e07169fe1fe96964b5cba6 [0,0,0,1,0,0|3,0,0]=4 3859 B12R1.372 O=C1CCCN1COCCCF 4140e3d5e0cba5c7a656525b788e3fc7 [0,0,0,1,0,0|3,0,0]=4 3860 B12R1.372 O=C1CCCN1COCCCS 42999b6d4850236aabba0d68bf204db7 [0,0,0,1,0,0|3,0,0]=4 3861 B12R1.456 C#CCCOC1OC(=O)CC1C ece1372338875ea921eb01c918c2af9b [0,0,0,1,0,0|1,0,2]=4 3862 B12R1.456 C/C=C/COC1OC(=O)CC1C 5dce1aa8469997c304aace45f12a6142 [0,0,0,1,0,0|1,0,2]=4 3863 B12R1.456 C/C=C\COC1OC(=O)CC1C 0a83a0cff0cb4fd0c0dadcb72b1ec00b [0,0,0,1,0,0|1,0,2]=4 3864 B12R1.456 C=CCCOC1OC(=O)CC1C 92c87e3ed8af3087cbd7687275a1ecaa [0,0,0,1,0,0|1,0,2]=4 3865 B12R1.456 CC1CC(=O)OC1OCCC#N 5a6c2130bff11f14cbb95ea2f3839033 [0,0,0,1,0,0|2,0,1]=4 3866 B12R1.456 CC1CC(=O)OC1OCCC=O 0c905d1c3c81ace52ae50f8543da06e7 [0,0,0,1,0,0|2,0,1]=4 3867 B12R1.456 CC1CC(=O)OC1OCCCF ad37d03f6c4e95eb97f6b136a76001b2 [0,0,0,1,0,0|2,0,0]=3 3868 B12R1.456 CC1CC(=O)OC1OCCCS fa1dc40ffe6d534be04346e7d566cc79 [0,0,0,1,0,0|2,0,0]=3 3869 B12R1.456 CCCCOC1CC(=O)NC1C 103973547a1c1627241f3106cf8efb96 [0,0,0,1,0,0|3,0,0]=4 3870 B12R1.456 CCCCOC1OC(=O)C=C1C e4cd3463e860b05afe1f72337787418c [0,0,0,1,0,0|1,0,2]=4 3871 B12R1.456 CCCCOC1OC(=O)CC1C 06715f69c09a20e4a6e8248562d47e9f [0,0,0,1,0,0|1,0,0]=2 3872 B12R1.456 CCCCO[C@H]1CC(=O)N[C@H]1C 0a33a96107d2f2fa1cd6912bee4a9cd0 [0,0,0,1,0,0|3,0,0]=4 3873 B12R1.456 COCCOC1OC(=O)CC1C 9aa3ee4435352f263da41df7d99a9fc5 [0,0,0,1,0,0|2,0,0]=3 3874 B12R1.456 CSCCOC1OC(=O)CC1C fb44f858e49b633a9c003b4e4d06d8f8 [0,0,0,1,0,0|2,0,0]=3 3875 B12R1.535 CCCC(=O)N1CCC1CCO 4ebcb8437d3c75c4adfbbf8482523cc3 [0,0,0,1,0,0|2,0,0]=3 3876 B12R1.535 CCCC(=O)N1CCC1COC 4c23fb03021907cccd8f4393babe8e97 [0,0,0,1,0,0|2,0,0]=3 3877 B12R1.535 CCCC(=O)N1CC[C@@H]1COC 2c0c148b3925a405a0c0ff37185be227 [0,0,0,1,0,0|2,0,0]=3 3878 B12R1.535 CCCC(=O)N1CC[C@H]1COC 9cd6fa261a43687a30b7a7abc12def7a [0,0,0,1,0,0|2,0,0]=3 3879 B12R1.535 COCC(=O)N1CCC1CCO 6f1348c50b157e64c4b36bceb58a99a4 [0,0,0,1,0,0|3,0,0]=4 3880 B12R1.535 COCC(=O)N1CCC1COC 5efbcb1a7b0735713dc8e82914edaccc [0,0,0,1,0,0|3,0,0]=4 3881 B12R1.535 COCC(=O)N1CC[C@@H]1COC 357f8d299f70ff262d4cff401273ba1c [0,0,0,1,0,0|3,0,0]=4 3882 B12R1.535 COCC(=O)N1CC[C@H]1COC 09b42188e84c640c07e5198c309184c1 [0,0,0,1,0,0|3,0,0]=4 3883 B12R1.535 COCC1CCN1C(=O)CCF 1409e4a2186567991b0310360b477670 [0,0,0,1,0,0|3,0,0]=4 3884 B12R1.535 COCC1CCN1C(=O)CCO f979965f921a7c18151f1fd5846caeb4 [0,0,0,1,0,0|3,0,0]=4 3885 B12R1.535 COCC1CCN1C(=O)CCS 0eba0842646f7456cfb6a12a32c04bf7 [0,0,0,1,0,0|3,0,0]=4 3886 B12R1.535 COCC1CCN1C(=O)CSC afa04074e99c88a73e6aefdff12122da [0,0,0,1,0,0|3,0,0]=4 3887 B12R1.535 COC[C@@H]1CCN1C(=O)CCF 74acf2d1f6958979a2ed22c650677312 [0,0,0,1,0,0|3,0,0]=4 3888 B12R1.535 COC[C@@H]1CCN1C(=O)CCO d5c31e8f7cdaa09577f7de9e16d4f365 [0,0,0,1,0,0|3,0,0]=4 3889 B12R1.535 COC[C@@H]1CCN1C(=O)CCS ecbc75826b91ba39c37b887000e4e26b [0,0,0,1,0,0|3,0,0]=4 3890 B12R1.535 COC[C@@H]1CCN1C(=O)CSC 4e94ded432c472a76beacbb13e96a7ac [0,0,0,1,0,0|3,0,0]=4 3891 B12R1.535 COC[C@H]1CCN1C(=O)CCF 685ac26617511eee39ee4c343197117e [0,0,0,1,0,0|3,0,0]=4 3892 B12R1.535 COC[C@H]1CCN1C(=O)CCO 74fadbefe2c4e124dc502e61b567297c [0,0,0,1,0,0|3,0,0]=4 3893 B12R1.535 COC[C@H]1CCN1C(=O)CCS ab627cbc187650d40da827351adb1f12 [0,0,0,1,0,0|3,0,0]=4 3894 B12R1.535 COC[C@H]1CCN1C(=O)CSC bc2b83af1558f5f25dbb7be874477973 [0,0,0,1,0,0|3,0,0]=4 3895 B12R1.535 CSCC(=O)N1CCC1CCO 77557ba9b2505be8358f051e735e54ac [0,0,0,1,0,0|3,0,0]=4 3896 B12R1.535 O=C(CCF)N1CCC1CCO 76f0cc4a795c62f1a3f4c337bfadf90d [0,0,0,1,0,0|3,0,0]=4 3897 B12R1.535 O=C(CCO)N1CCC1CCO 7fae622226b3aa4b16576b596d5e0893 [0,0,0,1,0,0|3,0,0]=4 3898 B12R1.535 O=C(CCS)N1CCC1CCO f20be8ba932e79cef973ed223f641c38 [0,0,0,1,0,0|3,0,0]=4 3899 B12R1.542 CCC1C(=O)NCCN1CCF ba9f85d2a1a73427458cb456f10426c1 [0,0,0,1,0,0|3,0,0]=4 3900 B12R1.542 CCC1C(=O)NCCN1CCO f695d01919cad032260b6962a04d8bdb [0,0,0,1,0,0|3,0,0]=4 3901 B12R1.542 CCC1C(=O)NCCN1CCS e5a051971b5411fa0d3226439115e9c5 [0,0,0,1,0,0|3,0,0]=4 3902 B12R1.542 CCC1C(=O)NCCN1COC 2286dfbe9d721d911339406021a8ea8f [0,0,0,1,0,0|3,0,0]=4 3903 B12R1.542 CCC1C(=O)NCCN1CSC 5d7003864a175bd381e926b203571564 [0,0,0,1,0,0|3,0,0]=4 3904 B12R1.542 CCCN1CCNC(=O)C1CC 459f9374ebcb2ea4ee16c7e8fe87fb61 [0,0,0,1,0,0|2,0,0]=3 3905 B12R1.822 CCCC(=O)N[C@H]1C[C@@H]1COC e51586e56e77cf19004c6771b8ce6a0e [0,0,0,1,0,0|2,0,0]=3 3906 B12R1.822 CCCC(=O)N[C@H]1C[C@H]1COC 1d11b3c34227975a54c7731b15773c7f [0,0,0,1,0,0|2,0,0]=3 3907 B12R1.822 COCC(=O)N[C@H]1C[C@@H]1COC b2f1fc9b819a7d1a20e93ae01bb452ed [0,0,0,1,0,0|3,0,0]=4 3908 B12R1.822 COCC(=O)N[C@H]1C[C@H]1COC ccaea284f80d210f6f1d5ea9f41dc2bc [0,0,0,1,0,0|3,0,0]=4 3909 B12R1.822 COC[C@@H]1C[C@@H]1NC(=O)CCF 6825ec2fa5e610f30a729d9172a3b63e [0,0,0,1,0,0|3,0,0]=4 3910 B12R1.822 COC[C@@H]1C[C@@H]1NC(=O)CCO 03335b3bd152b8be78680db8c78b6543 [0,0,0,1,0,0|3,0,0]=4 3911 B12R1.822 COC[C@@H]1C[C@@H]1NC(=O)CCS a1d9a71fd02a50ce2525bfda7045e7e1 [0,0,0,1,0,0|3,0,0]=4 3912 B12R1.822 COC[C@@H]1C[C@@H]1NC(=O)CSC bb640f284176d2c7dc246fe9b3c341e6 [0,0,0,1,0,0|3,0,0]=4 3913 B12R1.822 COC[C@H]1C[C@@H]1NC(=O)CCF 6f93496b0bf68d18481233271da07a20 [0,0,0,1,0,0|3,0,0]=4 3914 B12R1.822 COC[C@H]1C[C@@H]1NC(=O)CCO 4b9a3e822551a49aef1cccfa6a9997bd [0,0,0,1,0,0|3,0,0]=4 3915 B12R1.822 COC[C@H]1C[C@@H]1NC(=O)CCS 366efd33e19da47916fbf9aa25ecd85d [0,0,0,1,0,0|3,0,0]=4 3916 B12R1.822 COC[C@H]1C[C@@H]1NC(=O)CSC 746fe1c04820959a0ad21afe27e77bfb [0,0,0,1,0,0|3,0,0]=4 3917 B12R1.923 C#CCCNCOC(=O)C1CC1 04d04c2a23f228574c403c9c81092b55 [0,0,0,1,0,0|1,0,2]=4 3918 B12R1.923 C#CCCOCOC(=O)C1CC1 d7ee5e9ef191dfd0a1f935925fde37fa [0,0,0,1,0,0|1,0,2]=4 3919 B12R1.923 C/C=C/COCOC(=O)C1CC1 8a3cc2aea34bf6258f99b2eabf75af6e [0,0,0,1,0,0|1,0,2]=4 3920 B12R1.923 C/C=C\COCOC(=O)C1CC1 2752b4c93e67ba9d81c2155f868f9ecd [0,0,0,1,0,0|1,0,2]=4 3921 B12R1.923 C=CCCNCOC(=O)C1CC1 e5f759839475d957c85717f4a14a9957 [0,0,0,1,0,0|1,0,2]=4 3922 B12R1.923 C=CCCOCOC(=O)C1CC1 78d6329496133441c1e0658df26e7595 [0,0,0,1,0,0|1,0,2]=4 3923 B12R1.923 CC#CCNCOC(=O)C1CC1 a2588e28084b0cd9bb14842a63d44e07 [0,0,0,1,0,0|1,0,2]=4 3924 B12R1.923 CC#CCOCOC(=O)C1CC1 342545d1f5eb847da565f4d45445d328 [0,0,0,1,0,0|1,0,2]=4 3925 B12R1.923 CC(OCCCCCF)C1CC1 dd2b4faf2f5d2182e018cffe74e25188 [0,0,0,1,0,0|2,0,1]=4 3926 B12R1.923 CC=CCNCOC(=O)C1CC1 789ce307a6754e2806dfefa29571b7e5 [0,0,0,1,0,0|1,0,2]=4 3927 B12R1.923 CC=CCOCOC(=O)C1CC1 242cf3ae86850b09e90ffb0d180e61c1 [0,0,0,1,0,0|1,0,2]=4 3928 B12R1.923 CCCCCCCN(C)C1CC1 f104d4156ae7429e70a609aba646c383 [0,0,0,1,0,0|3,0,0]=4 3929 B12R1.923 CCCCCCNC(C)C1CC1 154d665f07e691347742c7c1d73045fe [0,0,0,1,0,0|2,0,1]=4 3930 B12R1.923 CCCCCCN[C@@H](C)C1CC1 8486d6e3525e0d480cee14a08bc840e8 [0,0,0,1,0,0|2,0,1]=4 3931 B12R1.923 CCCCCCN[C@H](C)C1CC1 658465828c6d9072b702157de963ec27 [0,0,0,1,0,0|2,0,1]=4 3932 B12R1.923 CCCCCCOC(C)C1CC1 e251b872f2ae4fbaf9bf636463f97251 [0,0,0,1,0,0|1,0,1]=3 3933 B12R1.923 CCCCCCO[C@@H](C)C1CC1 35d21c045cdcf8e3c1d6ab4babea9548 [0,0,0,1,0,0|1,0,1]=3 3934 B12R1.923 CCCCCCO[C@H](C)C1CC1 9800d5430195dbb61a38f4d700f85e1a [0,0,0,1,0,0|1,0,1]=3 3935 B12R1.923 CCCCCNCC(=O)C1CC1 eecb79873501462c1b37ecb7ebec965f [0,0,0,1,0,0|2,0,0]=3 3936 B12R1.923 CCCCCOCC(=O)C1CC1 80dc3a9572e032e04ac20c3f0a63a1e9 [0,0,0,1,0,0|2,0,0]=3 3937 B12R1.923 CCCCNCOC(=O)C1CC1 bbdee4030b64226942c67fcaa3341eab [0,0,0,1,0,0|1,0,0]=2 3938 B12R1.923 CCCCOCOC(=O)C1CC1 9cea42cfcae687eec32839cb5af92c57 [0,0,0,1,0,0|1,0,0]=2 3939 B12R1.923 CCCCOCOC(C)C1CC1 5c2b5e6faed88f31a5cea5fcd21b8eac [0,0,0,1,0,0|2,0,1]=4 3940 B12R1.923 CCCCOCO[C@@H](C)C1CC1 0588715e85dafd7bb39f84a7fe93d6a4 [0,0,0,1,0,0|2,0,1]=4 3941 B12R1.923 CCCCOCO[C@H](C)C1CC1 5d88b7365deefb54553fc9887512fea5 [0,0,0,1,0,0|2,0,1]=4 3942 B12R1.923 CCCOCCOC(C)C1CC1 dba513008b7490940fadde7756e74c0f [0,0,0,1,0,0|2,0,1]=4 3943 B12R1.923 CCCOCCO[C@@H](C)C1CC1 5e3395eb33b8898d3998b55f38dadf14 [0,0,0,1,0,0|2,0,1]=4 3944 B12R1.923 CCCOCCO[C@H](C)C1CC1 b918397325b80a8310d196256cd5bb47 [0,0,0,1,0,0|2,0,1]=4 3945 B12R1.923 CCCSCCOC(C)C1CC1 36bb559dd316d6cf2e8dd34a72ed47e4 [0,0,0,1,0,0|2,0,1]=4 3946 B12R1.923 CCOCCCOC(C)C1CC1 5637035e2bf77bd86a3dda99303a5468 [0,0,0,1,0,0|2,0,1]=4 3947 B12R1.923 CCOCCCO[C@@H](C)C1CC1 e5e2fce18272bada0bf61eb5d8b90890 [0,0,0,1,0,0|2,0,1]=4 3948 B12R1.923 CCOCCCO[C@H](C)C1CC1 e3809dca7f7907c523b90a0ebfb8ade0 [0,0,0,1,0,0|2,0,1]=4 3949 B12R1.923 CCOCCNCC(=O)C1CC1 011558e3732568d427774cc43d5833ee [0,0,0,1,0,0|3,0,0]=4 3950 B12R1.923 CCOCCOCC(=O)C1CC1 f33792fda3434cf19916e73508e23616 [0,0,0,1,0,0|3,0,0]=4 3951 B12R1.923 CCSCCCOC(C)C1CC1 b8196868d72c384ef1a8b509940a1a34 [0,0,0,1,0,0|2,0,1]=4 3952 B12R1.923 CCSCCCO[C@@H](C)C1CC1 5e06a87189c6f1b1e6176521af4b5aa5 [0,0,0,1,0,0|2,0,1]=4 3953 B12R1.923 CCSCCCO[C@H](C)C1CC1 243e0cb91a279682a7ed439fc64bc87e [0,0,0,1,0,0|2,0,1]=4 3954 B12R1.923 CCSCCNCC(=O)C1CC1 afd307006929785a4b08e8fdf2677ba6 [0,0,0,1,0,0|3,0,0]=4 3955 B12R1.923 CCSCCOCC(=O)C1CC1 88bd88fd78dd52b95ff452e05171637b [0,0,0,1,0,0|3,0,0]=4 3956 B12R1.923 COCCCCOC(C)C1CC1 fd5e4c2719ac6815cf76bda4090df4a1 [0,0,0,1,0,0|2,0,1]=4 3957 B12R1.923 COCCCCO[C@@H](C)C1CC1 cc1457dcbbf82ee3491707b88b2b6649 [0,0,0,1,0,0|2,0,1]=4 3958 B12R1.923 COCCCCO[C@H](C)C1CC1 8ed82d059cefe355780f26554e0ef619 [0,0,0,1,0,0|2,0,1]=4 3959 B12R1.923 COCCCNCC(=O)C1CC1 c98e14c5efd2b4117cf2b69ee0e48470 [0,0,0,1,0,0|3,0,0]=4 3960 B12R1.923 COCCCOCC(=O)C1CC1 87b2f8b1b5a29f9540c89e80d319e431 [0,0,0,1,0,0|3,0,0]=4 3961 B12R1.923 COCCNCOC(=O)C1CC1 ba2435b04417bc2243d98ecc08c5185c [0,0,0,1,0,0|2,0,0]=3 3962 B12R1.923 COCCOCOC(=O)C1CC1 705eb3055196363511b0fe747999c221 [0,0,0,1,0,0|2,0,0]=3 3963 B12R1.923 CSCCCCOC(C)C1CC1 815eeb2f394e4f80423aaa7fdc28b13f [0,0,0,1,0,0|2,0,1]=4 3964 B12R1.923 CSCCCNCC(=O)C1CC1 9f94e412c9c5125100da9c226c9cecfd [0,0,0,1,0,0|3,0,0]=4 3965 B12R1.923 CSCCCOCC(=O)C1CC1 965582ce29473f66adff7e2a590424d8 [0,0,0,1,0,0|3,0,0]=4 3966 B12R1.923 CSCCNCOC(=O)C1CC1 efc77fd0cfc1b7157d999dc7d4d4b692 [0,0,0,1,0,0|2,0,0]=3 3967 B12R1.923 CSCCOCOC(=O)C1CC1 3daca77f4019d1f88523876373d13749 [0,0,0,1,0,0|2,0,0]=3 3968 B12R1.923 C[C@@H](OCCCCCF)C1CC1 34c324f7c83cde0f2c9c8ac00113032d [0,0,0,1,0,0|2,0,1]=4 3969 B12R1.923 C[C@H](OCCCCCF)C1CC1 bd28f639f56e8ec00311498d018d5abd [0,0,0,1,0,0|2,0,1]=4 3970 B12R1.923 N#CCCNCOC(=O)C1CC1 a3981e758793e793d39a1f8ffae844cc [0,0,0,1,0,0|2,0,1]=4 3971 B12R1.923 N#CCCOCOC(=O)C1CC1 8b4a246b193ecd9bbad4372aefd23c5d [0,0,0,1,0,0|2,0,1]=4 3972 B12R1.923 NOCCNCOC(=O)C1CC1 446e4b6420e5c6379483d4a17451be66 [0,0,0,1,0,0|3,0,0]=4 3973 B12R1.923 O=C(CNCCCCCl)C1CC1 53a2c98337c8457d9518ad99faf2f0e7 [0,0,0,1,0,0|3,0,0]=4 3974 B12R1.923 O=C(CNCCCCO)C1CC1 423cf9a2b7b33e280f39c54a4aac6ff8 [0,0,0,1,0,0|3,0,0]=4 3975 B12R1.923 O=C(CNCCCCS)C1CC1 d6f509c7e558d990396c2551e64a9ce9 [0,0,0,1,0,0|3,0,0]=4 3976 B12R1.923 O=C(COCCCCF)C1CC1 7cb3be84d6f30f96294be92b06be9d6b [0,0,0,1,0,0|3,0,0]=4 3977 B12R1.923 O=C(COCCCCS)C1CC1 f7d4322bd9de3a8c59ddb9013ed8ff89 [0,0,0,1,0,0|3,0,0]=4 3978 B12R1.923 O=C(OCNCCCCl)C1CC1 56f3cf011dc82ec421b6fe30c0c3e4e2 [0,0,0,1,0,0|2,0,0]=3 3979 B12R1.923 O=C(OCNCCCO)C1CC1 c9bfdad1c7d62f3b3a6e13135cfee407 [0,0,0,1,0,0|2,0,0]=3 3980 B12R1.923 O=C(OCOCCCF)C1CC1 587612c51c05f5f20d22518976d6b72a [0,0,0,1,0,0|2,0,0]=3 3981 B12R1.923 O=C(OCOCCCS)C1CC1 d89b6435fa115521cb3f90c022fbc11f [0,0,0,1,0,0|2,0,0]=3 3982 B12R1.923 O=CCCOCOC(=O)C1CC1 dbf0696feb4ade8fc41fbceb9a8608b6 [0,0,0,1,0,0|2,0,1]=4 3983 B12R1.1141 CC1CC(=O)NCCN1CCF 4e19e8ab1d89f09133282a01e33cf09f [0,0,0,1,0,0|3,0,0]=4 3984 B12R1.1141 CC1CC(=O)NCCN1CCO 5886db86ad71b23899f218891cf98477 [0,0,0,1,0,0|3,0,0]=4 3985 B12R1.1141 CC1CC(=O)NCCN1CCS 18798c2d130237887cf40e810f95d690 [0,0,0,1,0,0|3,0,0]=4 3986 B12R1.1141 CCCN1CCNC(=O)CC1C 5ce5a1ade46b2a836418ce629379465f [0,0,0,1,0,0|2,0,0]=3 3987 B12R1.1141 COCN1CCNC(=O)CC1C e910f92c2b1d008174b0483824af238e [0,0,0,1,0,0|3,0,0]=4 3988 B12R1.1141 CSCN1CCNC(=O)CC1C 0ef75aa7ebd3059448c05b903fc45200 [0,0,0,1,0,0|3,0,0]=4 3989 B12R1.1408 CCCCCCN1C(CC1C)C c451f8febe2cfea6d156f401c32dcea1 [0,0,0,1,0,0|2,0,1]=4 3990 B12R1.1408 CCCCCCN1[C@@H](C[C@@H]1C)C 79d6a908d787b8991c137cabf095f64a [0,0,0,1,0,0|2,0,1]=4 3991 B12R1.1408 CCCCCCN1[C@@H](C[C@H]1C)C dfa0194476b5ea6b171eb576b2423147 [0,0,0,1,0,0|2,0,1]=4 3992 B12R1.1408 CCCCCCN1[C@H](C[C@@H]1C)C f0dab05a771a1130d25b5d896f5e581c [0,0,0,1,0,0|2,0,1]=4 3993 B12R1.1505 CCCC(=O)COCC1CC1C 87b0661d1c476daa3406f2544cbbacd0 [0,0,0,1,0,0|2,0,0]=3 3994 B12R1.1505 CCCC(=O)COC[C@@H]1C[C@@H]1C e1ffb29a07fa389093428fe7852bf468 [0,0,0,1,0,0|2,0,0]=3 3995 B12R1.1505 CCCC(=O)COC[C@@H]1C[C@@H]1F c791a8e23158cf377a06b5eb8bba55a1 [0,0,0,1,0,0|3,0,0]=4 3996 B12R1.1505 CCCC(=O)COC[C@@H]1C[C@H]1C 445c14981404e0db549a48344c3ac3db [0,0,0,1,0,0|2,0,0]=3 3997 B12R1.1505 CCCC(=O)COC[C@@H]1C[C@H]1F 4d7eb324a7a25aed0aaacfcbc43a38bc [0,0,0,1,0,0|3,0,0]=4 3998 B12R1.1505 CCCC(=O)COC[C@H]1C[C@@H]1C e900aebf247a018cb48e71aada8454ed [0,0,0,1,0,0|2,0,0]=3 3999 B12R1.1505 CCCC(=O)COC[C@H]1C[C@@H]1F fa28a4a8ead86093f31956435f63b1f6 [0,0,0,1,0,0|3,0,0]=4 4000 B12R1.1505 CCCC(=O)COC[C@H]1C[C@H]1F 2429f23fabc62d79d6ea8ec59cb99a95 [0,0,0,1,0,0|3,0,0]=4 4001 B12R1.1505 CCCC(=O)OCNC1CC1C 249756bddf6a566dc759a2421eaf6da2 [0,0,0,1,0,0|1,0,0]=2 4002 B12R1.1505 CCCC(=O)OCN[C@@H]1C[C@H]1F 63480396b74d02c998b081c7e18100f4 [0,0,0,1,0,0|2,0,0]=3 4003 B12R1.1505 CCCC(=O)OCN[C@H]1C[C@@H]1F 9dfbb70540b09a0b869c128d0d148727 [0,0,0,1,0,0|2,0,0]=3 4004 B12R1.1505 CCCC(=O)OCN[C@H]1C[C@H]1F 434755bcca1330f7bc80768061e12975 [0,0,0,1,0,0|2,0,0]=3 4005 B12R1.1505 CCNC(=O)CCNC1CC1C f592671b5f5c46fef9e8c1249effb6bc [0,0,0,1,0,0|3,0,0]=4 4006 B12R1.1505 CCNC(=O)COCC1CC1C 6004bc5e4bed422d27af7d5d2d3bb773 [0,0,0,1,0,0|3,0,0]=4 4007 B12R1.1505 CCNC(=O)COC[C@@H]1C[C@@H]1C 324d0222e50049d3b71d2eef98b3fff9 [0,0,0,1,0,0|3,0,0]=4 4008 B12R1.1505 CCNC(=O)COC[C@@H]1C[C@H]1C bd7a3b685c5361977099e9a011720efc [0,0,0,1,0,0|3,0,0]=4 4009 B12R1.1505 CCNC(=O)COC[C@H]1C[C@@H]1C 25c61b63f50ad1d6434271e2c008fde7 [0,0,0,1,0,0|3,0,0]=4 4010 B12R1.1505 CCOC(=O)CCNC1CC1C c518c9f1a022b08c9fba7a6b6ec8f8f5 [0,0,0,1,0,0|3,0,0]=4 4011 B12R1.1505 CCOC(=O)COCC1CC1C 11ae855b17a737290305f3ff5d686b29 [0,0,0,1,0,0|3,0,0]=4 4012 B12R1.1505 CCOC(=O)COC[C@@H]1C[C@@H]1C a79a2d3572b589643b59f450e44f649d [0,0,0,1,0,0|3,0,0]=4 4013 B12R1.1505 CCOC(=O)COC[C@@H]1C[C@H]1C 413e12c5899235a079c35504efbc6f37 [0,0,0,1,0,0|3,0,0]=4 4014 B12R1.1505 CCOC(=O)COC[C@H]1C[C@@H]1C e0764586ec52e3eb914fd34972a948ab [0,0,0,1,0,0|3,0,0]=4 4015 B12R1.1505 CCOC(=O)OCNC1CC1C 38b8c6608624ad66c4a3da0394792ef7 [0,0,0,1,0,0|2,0,0]=3 4016 B12R1.1505 CCOC(=O)OCN[C@@H]1C[C@H]1F 39f6e8c830b8efed8e963dfee1af1a27 [0,0,0,1,0,0|3,0,0]=4 4017 B12R1.1505 CCOC(=O)OCN[C@H]1C[C@@H]1F 91d88e538f26b628d05828aa555975d6 [0,0,0,1,0,0|3,0,0]=4 4018 B12R1.1505 CCOC(=O)OCN[C@H]1C[C@H]1F 3c15d2b851bf62eb4307732d96b1e805 [0,0,0,1,0,0|3,0,0]=4 4019 B12R1.1505 CCSC(=O)OCNC1CC1C 626fc4a4363b6de6a61676b884732cc7 [0,0,0,1,0,0|2,0,0]=3 4020 B12R1.1505 CCSC(=O)OCN[C@@H]1C[C@H]1F 514736db515037679dc1b996344721b6 [0,0,0,1,0,0|3,0,0]=4 4021 B12R1.1505 CCSC(=O)OCN[C@H]1C[C@@H]1F d10bf47d5308043505fa101208ac45c7 [0,0,0,1,0,0|3,0,0]=4 4022 B12R1.1505 CCSC(=O)OCN[C@H]1C[C@H]1F fb45a4be6b0b3d989b260fd59db9e64b [0,0,0,1,0,0|3,0,0]=4 4023 B12R1.1505 COCC(=O)COCC1CC1C bfdea1262b84d5426a3338d5ad947244 [0,0,0,1,0,0|3,0,0]=4 4024 B12R1.1505 COCC(=O)COC[C@@H]1C[C@@H]1C 6d38e081dabf0909bf1374374f9e034f [0,0,0,1,0,0|3,0,0]=4 4025 B12R1.1505 COCC(=O)COC[C@@H]1C[C@H]1C 964dcc175a6c0c6b78f007ea30648c84 [0,0,0,1,0,0|3,0,0]=4 4026 B12R1.1505 COCC(=O)COC[C@H]1C[C@@H]1C cabb258a2e4493a95dde3074b38f88df [0,0,0,1,0,0|3,0,0]=4 4027 B12R1.1564 C#CCC(=O)N1CCCCCC1 3d3ed9149a2461de02bc8c86214d15c0 [0,0,0,1,0,0|1,0,2]=4 4028 B12R1.1564 C/C=C/C(=O)N1CCCCCC1 9385866b96304f18026e9abc8938ff7f [0,0,0,1,0,0|1,0,2]=4 4029 B12R1.1564 C=CCC(=O)N1CCCCCC1 5d2b564dabaed5a3bd8d21214cec226b [0,0,0,1,0,0|1,0,2]=4 4030 B12R1.1564 CC#CC(=O)N1CCCCCC1 1edb6ffc6845ced5928170e8a0ce7d52 [0,0,0,1,0,0|1,0,2]=4 4031 B12R1.1564 CCCC(=O)N1CCCCCC1 c25794177b8e15af54f79094fb5eac9e [0,0,0,1,0,0|1,0,0]=2 4032 B12R1.1564 CCCC(=O)N1CCCOCC1 66461f91becce906ea921a3c4df23de2 [0,0,0,1,0,0|2,0,0]=3 4033 B12R1.1564 CCCC(C)N1CCCCCC1 7aa63a7bde9eec6187c02d0716124126 [0,0,0,1,0,0|2,0,1]=4 4034 B12R1.1564 CCCN(C)C1CCCCCC1 9cfd8f841e2a0caeb3e9f961ad0eabfb [0,0,0,1,0,0|3,0,0]=4 4035 B12R1.1564 COCC(=O)N1CCCCCC1 dfb00865ff4a1fc706e130ab86e8f6a4 [0,0,0,1,0,0|2,0,0]=3 4036 B12R1.1564 COCC(=O)N1CCCOCC1 dd21c80cfe2a869d740e3003b3127705 [0,0,0,1,0,0|3,0,0]=4 4037 B12R1.1564 CSCC(=O)N1CCCCCC1 d023aa99d82b342fd71c894f74c6f2ca [0,0,0,1,0,0|2,0,0]=3 4038 B12R1.1564 CSCC(=O)N1CCCOCC1 0e82d3035eaf04ea29758a02e0bc2cf8 [0,0,0,1,0,0|3,0,0]=4 4039 B12R1.1564 N#CCC(=O)N1CCCCCC1 70741df5d7e5fcd9bcd02b69abd3fa47 [0,0,0,1,0,0|2,0,1]=4 4040 B12R1.1564 NOCC(=O)N1CCCCCC1 ac12da638fdc94d7e0712f9f5faa047e [0,0,0,1,0,0|3,0,0]=4 4041 B12R1.1564 O=C(CCF)N1CCCCCC1 cb76c8a380ee604382f54b0ed8886c2e [0,0,0,1,0,0|2,0,0]=3 4042 B12R1.1564 O=C(CCF)N1CCCOCC1 42745ccb286a51b3c53b3913efd3c982 [0,0,0,1,0,0|3,0,0]=4 4043 B12R1.1564 O=C(CCO)N1CCCCCC1 4c754653de52cca260433e1838e42358 [0,0,0,1,0,0|2,0,0]=3 4044 B12R1.1564 O=C(CCO)N1CCCOCC1 8e88b84f92d4cb50a9dba2a5fca443c9 [0,0,0,1,0,0|3,0,0]=4 4045 B12R1.1564 O=C(CCS)N1CCCCCC1 b6fce1d6974e3d722d716b0d59cfdb5c [0,0,0,1,0,0|2,0,0]=3 4046 B12R1.1564 O=C(CCS)N1CCCOCC1 ad7a977cc0f61b7309222435119c14c6 [0,0,0,1,0,0|3,0,0]=4 4047 B12R1.1564 O=CCC(=O)N1CCCCCC1 8ad5a635fc7b0f77ff7e9f3235a59360 [0,0,0,1,0,0|2,0,1]=4 4048 B12R1.1996 CCCCCCNC1(CCC1)C 697bbf18796de814933dd82080dc6578 [0,0,0,1,0,0|2,0,1]=4 4049 B9R0.5 CCCC(=O)CNCCBr 580d9097d971fedfdfa14df158dde72d [2,0,0,0,0,0|2,0,0]=4 4050 B9R0.5 CCCC(=O)CNCCF 90b6a3d4e2b646692ac2f8be60f35cfc [2,0,0,0,0,0|2,0,0]=4 4051 B9R0.5 CCCC(=O)CNCCI e6c431c6a36f932e7e7bd540be83f7d4 [2,0,0,0,0,0|2,0,0]=4 4052 B9R0.5 CCCC(=O)CNCCO 19eaae24439cf65d8d2d752c6a63c8d7 [2,0,0,0,0,0|2,0,0]=4 4053 B9R0.5 CCCC(=O)CNCCS 1dd21d52255aa998e3f67c462a833edf [2,0,0,0,0,0|2,0,0]=4 4054 B9R0.5 CCCC(=O)COCCF 51c78131a5436c656772daa28f0121d0 [2,0,0,0,0,0|2,0,0]=4 4055 B9R0.5 CCCC(=O)COCCS 77d185d452b3bc72588d0bc7dfa35de5 [2,0,0,0,0,0|2,0,0]=4 4056 B9R0.5 CCCC(=O)COCOC 2e9034a32d4ad47f72112a5c4899eca9 [2,0,0,0,0,0|2,0,0]=4 4057 B9R0.5 CCCC(=O)NCCCCl f1d9e9d02a2632caa1296262930794c7 [2,0,0,0,0,0|2,0,0]=4 4058 B9R0.5 CCCC(=O)NCCCO 592c3668cf1954e32eae53f9d9310fe4 [2,0,0,0,0,0|2,0,0]=4 4059 B9R0.5 CCCC(=O)NCCOC d85beb1e2ae7c191540a491c38a5bdee [2,0,0,0,0,0|2,0,0]=4 4060 B9R0.5 CCCC(=O)NCCSC a7f90a8bca211f42c79fa85f13ca66c5 [2,0,0,0,0,0|2,0,0]=4 4061 B9R0.5 CCCC(=S)OCCCF 656dc88ae36c655edad34b161382f41a [2,0,0,0,0,0|1,1,0]=4 4062 B9R0.5 CCCC(=S)OCCCS 23b64448f461e9f987487e187aec0d4a [2,0,0,0,0,0|1,1,0]=4 4063 B9R0.5 CCCC(=S)OCCOC d3db63e9a9ba0e487e0033504dd762c1 [2,0,0,0,0,0|1,1,0]=4 4064 B9R0.5 CCCC(=S)OCCSC ea004ea4cab93907812e5d91a99ec056 [2,0,0,0,0,0|1,1,0]=4 4065 B9R0.5 CCCC(=S)OCOCC adf12bc5807344f3b284867173cde60b [2,0,0,0,0,0|1,1,0]=4 4066 B9R0.5 CCCCCN(C)CCC b853278094c2f82fca4e6dd3977c6a67 [2,0,0,0,0,0|2,0,0]=4 4067 B9R0.5 CCCCNC(=O)CCC 2cce597b848ae107def59bee54a0a0bb [2,0,0,0,0,0|1,0,0]=3 4068 B9R0.5 CCCCNC(=O)CCF 53b9813d116057ff8c4b15658e94e51c [2,0,0,0,0,0|2,0,0]=4 4069 B9R0.5 CCCCNC(=O)CCO 0298cd2468e4d9499261be651df2adcd [2,0,0,0,0,0|2,0,0]=4 4070 B9R0.5 CCCCNC(=O)CCS 1641ac5db70e3fc675ef1771e3defee2 [2,0,0,0,0,0|2,0,0]=4 4071 B9R0.5 CCCCNC(=O)COC 36ff378b0254a17f19e8bd23cda67723 [2,0,0,0,0,0|2,0,0]=4 4072 B9R0.5 CCCCNC(=O)CSC fd9e07d4285a6169aceb5bd025ecd890 [2,0,0,0,0,0|2,0,0]=4 4073 B9R0.5 CCCCOC(=S)CCC f1235a4363bf9e2174e43a15f0090624 [2,0,0,0,0,0|0,1,0]=3 4074 B9R0.5 CCCCOC(C)CCC 92f21439e18e4a0212372a80f0159639 [2,0,0,0,0,0|1,0,1]=4 4075 B9R0.5 CCCCO[C@@H](C)CCC 5b752837ff25253bec29faef567e59b2 [2,0,0,0,0,0|1,0,1]=4 4076 B9R0.5 CCCCO[C@H](C)CCC 5384ca464c5bc70cb67ae7c0e1b63cd2 [2,0,0,0,0,0|1,0,1]=4 4077 B9R0.5 CCCNCC(=O)CCC 3eec0edc7aa18c3c159d3b72b32db52a [2,0,0,0,0,0|1,0,0]=3 4078 B9R0.5 CCCNCC(=O)COC 9c76efdc9995e8503c8a81dc87078b10 [2,0,0,0,0,0|2,0,0]=4 4079 B9R0.5 CCCNCC(=O)NCC ce07571aa3fa6f7b572f45c714e29f13 [2,0,0,0,0,0|2,0,0]=4 4080 B9R0.5 CCCNCC(=O)OCC 96e18210e8c47913fa01fa11b9b136be [2,0,0,0,0,0|2,0,0]=4 4081 B9R0.5 CCCOCC(=O)CCC 74c3c5e5bd02e359466cf1cc878b65e0 [2,0,0,0,0,0|1,0,0]=3 4082 B9R0.5 CCCOCC(=O)COC 3d7dfb506e9c0757447f18e9df05797b [2,0,0,0,0,0|2,0,0]=4 4083 B9R0.5 CCCOCC(=O)NCC 76f4c6de17f53497034323fd5e6ef599 [2,0,0,0,0,0|2,0,0]=4 4084 B9R0.5 CCCOCC(=O)OCC 0b34840e3da522061b00dd308581ea5c [2,0,0,0,0,0|2,0,0]=4 4085 B9R0.5 CCNCCC(=O)OCC 2335a4402c7edabd02b888af3e7ee79f [2,0,0,0,0,0|2,0,0]=4 4086 B9R0.5 CCOCCC(=O)OCC 09e1caf8e51242de5bdcbf4174bb2e9c [2,0,0,0,0,0|2,0,0]=4 4087 B9R0.45 C#CCCCCOCCC 88be43598906413b514321fe6489b41b [2,0,0,0,0,0|0,0,2]=4 4088 B9R0.45 C#CCOCCCCCC f5db1c348f2482ec2d74aff14ea6fbb8 [2,0,0,0,0,0|0,0,2]=4 4089 B9R0.45 C/C=C/CCCOCCC 6078f7ffc27dfa8185f6236738ef681e [2,0,0,0,0,0|0,0,2]=4 4090 B9R0.45 C/C=C\CCCOCCC 083c73f409535e210af3eb7849dd56ad [2,0,0,0,0,0|0,0,2]=4 4091 B9R0.45 C=CCCCCOCCC f624e5cfeefd7c8f70f95b431a05113e [2,0,0,0,0,0|0,0,2]=4 4092 B9R0.45 C=CCOCCCCCC 87e2c78ad35addafbe1ba3af3a2416ee [2,0,0,0,0,0|0,0,2]=4 4093 B9R0.45 CC#CCCCOCCC 4902122539f36e7166b52eecca3e8eb9 [2,0,0,0,0,0|0,0,2]=4 4094 B9R0.45 CC/C=C/CCOCCC 0a76c2aa4cb5309f57046e961567e1f0 [2,0,0,0,0,0|0,0,2]=4 4095 B9R0.45 CC/C=C/CNCCCC 205e3a3cf2dfbd78bc9d1c77318f250d [2,0,0,0,0,0|1,0,1]=4 4096 B9R0.45 CC/C=C/COCCCC 9dcd55c6f51e3b003595f546e655282b [2,0,0,0,0,0|1,0,1]=4 4097 B9R0.45 CC/C=C\CCCOCC f3a75a504e13faa2cf8e35adf4ed3e3b [2,0,0,0,0,0|1,0,1]=4 4098 B9R0.45 CC/C=C\CCNCCC 3bbbe00683e3d998587775bf41dd95d1 [2,0,0,0,0,0|1,0,1]=4 4099 B9R0.45 CC/C=C\CCOCCC 5fdb5a65a47740420a9d274005a3115f [2,0,0,0,0,0|0,0,2]=4 4100 B9R0.45 CC/C=C\COCCCC 02179af6b133216a2e2f2900dac6b807 [2,0,0,0,0,0|1,0,1]=4 4101 B9R0.45 CC=CCCCOCCC 544004ad9efa2af2fea80f1c7a474136 [2,0,0,0,0,0|0,0,2]=4 4102 B9R0.45 CCC#CCCOCCC 4cc8a61a8d84e6a0c5e1fcd690fd5b56 [2,0,0,0,0,0|0,0,2]=4 4103 B9R0.45 CCC/C=C/CNCCC 859277d10260fb4868f057b0beb905a9 [2,0,0,0,0,0|1,0,1]=4 4104 B9R0.45 CCC/C=C/COCCC e2603f506af8247235a50f3fd3dcc6bb [2,0,0,0,0,0|0,0,2]=4 4105 B9R0.45 CCC/C=C\CCOCC 22a9a7febcfe7dc866e40e1f973d5118 [2,0,0,0,0,0|1,0,1]=4 4106 B9R0.45 CCC/C=C\CNCCC 7ec0844d7fbfce65ba4c3c1af89a7542 [2,0,0,0,0,0|1,0,1]=4 4107 B9R0.45 CCC/C=C\COCCC c19f5c31ee9318be226094f6198923ec [2,0,0,0,0,0|0,0,2]=4 4108 B9R0.45 CCCC#CCOCCC ff72fbd1d49bd3be22c26f820479a5f0 [2,0,0,0,0,0|0,0,2]=4 4109 B9R0.45 CCCCCCCNCC 31fa4e94f188453162c86e218e83a3fe [2,0,0,0,0,0|1,0,1]=4 4110 B9R0.45 CCCCCCCOCC afc5a86de4d9d2aada96fa893fe06937 [2,0,0,0,0,0|1,0,1]=4 4111 B9R0.45 CCCCCCNCCBr 432851e349f9c8ac31da8524f48578e2 [2,0,0,0,0,0|2,0,0]=4 4112 B9R0.45 CCCCCCNCCC e9c4dc74296e69be276b9ef8aee733d2 [2,0,0,0,0,0|1,0,0]=3 4113 B9R0.45 CCCCCCNCCF 9254cc0c3491162ddb811a1ca350686d [2,0,0,0,0,0|2,0,0]=4 4114 B9R0.45 CCCCCCNCCI 211348b41f09447d155ab96e959b3555 [2,0,0,0,0,0|2,0,0]=4 4115 B9R0.45 CCCCCCNCCO 2c640e5cf0d398eb15c3da8e201ff9a9 [2,0,0,0,0,0|2,0,0]=4 4116 B9R0.45 CCCCCCNCCS 295b56fa02564919637f2af1760de842 [2,0,0,0,0,0|2,0,0]=4 4117 B9R0.45 CCCCCCNCOC aba2e41598bd49d27de9d216a6960960 [2,0,0,0,0,0|2,0,0]=4 4118 B9R0.45 CCCCCCNCSC 26b8d5c53ba2ffb7a0ad7aeefcef29cb [2,0,0,0,0,0|2,0,0]=4 4119 B9R0.45 CCCCCCOCC#N 41f322377cad05989d164a4262163638 [2,0,0,0,0,0|1,0,1]=4 4120 B9R0.45 CCCCCCOCC=O bd855bb441849ecb00a1d491cea228b2 [2,0,0,0,0,0|1,0,1]=4 4121 B9R0.45 CCCCCCOCCC e53b5b4f9e861a4f0969c775813c954e [2,0,0,0,0,0|0,0,0]=2 4122 B9R0.45 CCCCCCOCCF 5c07b9abefb4c7383b2510ed2f25aa7d [2,0,0,0,0,0|1,0,0]=3 4123 B9R0.45 CCCCCCOCCS dfca5cb8f17cf53fc21013be4aea075a [2,0,0,0,0,0|1,0,0]=3 4124 B9R0.45 CCCCCCOCOC 6663dbbf181def3e6cf6b976451eb0e9 [2,0,0,0,0,0|1,0,0]=3 4125 B9R0.45 CCCCCCOCSC ea8aeb7aec2e44107948b184f1a2484b [2,0,0,0,0,0|1,0,0]=3 4126 B9R0.45 CCCCCNCCCC 4b3b475ebd19f4e81120126dc44604b9 [2,0,0,0,0,0|1,0,1]=4 4127 B9R0.45 CCCCCOCCCC 452d4f5e08ae861a8237c2e4edaffcee [2,0,0,0,0,0|0,0,1]=3 4128 B9R0.45 CCCCCOCCCF fafa7792cbca75bb6104f416c496b552 [2,0,0,0,0,0|1,0,1]=4 4129 B9R0.45 CCCCCOCCCS d7a2eff0ce3ac908cbe201d57fc422a2 [2,0,0,0,0,0|1,0,1]=4 4130 B9R0.45 CCCCCOCCOC 64d0f3f4ad4f7f2b3f2cc5427c5eba08 [2,0,0,0,0,0|1,0,1]=4 4131 B9R0.45 CCCCCOCCSC 35787b22863a0bdd2a717cb23597facb [2,0,0,0,0,0|1,0,1]=4 4132 B9R0.45 CCCCCOCOCC 61d6517ecd367dc788621782453f190f [2,0,0,0,0,0|1,0,1]=4 4133 B9R0.45 CCCCOCCCCF 42830ea441c5128d22602f571e3205b9 [2,0,0,0,0,0|1,0,1]=4 4134 B9R0.45 CCCCOCCCCS ec359e1317d20b353c1e6ee1fa4be1a0 [2,0,0,0,0,0|1,0,1]=4 4135 B9R0.45 CCCCOCCCOC 94ce11a6d684ef526eb2e193b6598c58 [2,0,0,0,0,0|1,0,1]=4 4136 B9R0.45 CCCCOCCCSC 62b74f8edfba0d3c5255c58121a65cb5 [2,0,0,0,0,0|1,0,1]=4 4137 B9R0.45 CCCCOCCNCC c0f6eb404167932e0e88f86a69bff347 [2,0,0,0,0,0|1,0,1]=4 4138 B9R0.45 CCCCOCCOCC bc40d3f7a271e2ee8715a56f03d564ef [2,0,0,0,0,0|1,0,1]=4 4139 B9R0.45 CCCCOCCSCC 4b27bedc971633e9128e01c7169daa62 [2,0,0,0,0,0|1,0,1]=4 4140 B9R0.45 CCCCOCNCCC a731432b21a93145f59a9eee5ade548a [2,0,0,0,0,0|1,0,1]=4 4141 B9R0.45 CCCCOCOCCC bf8c796cfd1bba6ec2766c9548b22b8d [2,0,0,0,0,0|1,0,0]=3 4142 B9R0.45 CCCCOCOCCF 36b5a84efa8f0d923bd230c7ea60f543 [2,0,0,0,0,0|2,0,0]=4 4143 B9R0.45 CCCCOCOCCS b89141989678ee8d6f2313dbbd0de5e4 [2,0,0,0,0,0|2,0,0]=4 4144 B9R0.45 CCCCOCOCOC 562738b96117a23492409bdce5892cd9 [2,0,0,0,0,0|2,0,0]=4 4145 B9R0.45 CCCNCCCCCCl 2d5ae8cd51b6a7e591941cb7b0622e55 [2,0,0,0,0,0|2,0,0]=4 4146 B9R0.45 CCCNCCCCCF 7ddf79ca6b37ad2b5e8ddc392231f404 [2,0,0,0,0,0|2,0,0]=4 4147 B9R0.45 CCCNCCCCCO f3d6f4913e5f254c1bf460b36dd70b4c [2,0,0,0,0,0|2,0,0]=4 4148 B9R0.45 CCCNCCCCOC 3a911d7832cca15ffba1db8d75c3525f [2,0,0,0,0,0|2,0,0]=4 4149 B9R0.45 CCCNCCCCSC 83af594d195aec376428f00fc6e6852d [2,0,0,0,0,0|2,0,0]=4 4150 B9R0.45 CCCNCCCOCC a836c1341cedce3cb982b7dda3393120 [2,0,0,0,0,0|2,0,0]=4 4151 B9R0.45 CCCNCCCSCC da25d421765166ddce276c23e4b27d3a [2,0,0,0,0,0|2,0,0]=4 4152 B9R0.45 CCCNCCOCCC c9636642ffae561b1adc5cd9ae1dccad [2,0,0,0,0,0|1,0,0]=3 4153 B9R0.45 CCCNCCOCCO 26e2580fee42af23b6bec1a5344f6efe [2,0,0,0,0,0|2,0,0]=4 4154 B9R0.45 CCCNCCOCCS 22947c1b954d0143303aa38649974027 [2,0,0,0,0,0|2,0,0]=4 4155 B9R0.45 CCCNCCOCOC bd87fbe1594af723cfb8d704107437f4 [2,0,0,0,0,0|2,0,0]=4 4156 B9R0.45 CCCOCCCCC#N 609dbdde15359686ba1703d0b40c485a [2,0,0,0,0,0|1,0,1]=4 4157 B9R0.45 CCCOCCCCC=O 8b78d2c4a466c2768be601b9198fb016 [2,0,0,0,0,0|1,0,1]=4 4158 B9R0.45 CCCOCCCCCF b14e93115958730ea8214bff1c89eb77 [2,0,0,0,0,0|1,0,0]=3 4159 B9R0.45 CCCOCCCCOC 3aa974714759e935d3dbeb5a361d1541 [2,0,0,0,0,0|1,0,0]=3 4160 B9R0.45 CCCOCCCCSC 28df677e6e1829a07cbf3784e5a5b453 [2,0,0,0,0,0|1,0,0]=3 4161 B9R0.45 CCCOCCCNCC 9c5f9e1a8eab534703971dfcd50dc3a4 [2,0,0,0,0,0|1,0,0]=3 4162 B9R0.45 CCCOCCCNCF 1fa8ea4c53f6c4f7a20f066d63c8c48a [2,0,0,0,0,0|2,0,0]=4 4163 B9R0.45 CCCOCCCNCO f453546a549baebba8d4dda9dd1f2b96 [2,0,0,0,0,0|2,0,0]=4 4164 B9R0.45 CCCOCCCOCC 7ae5cc2cef81f72870de148e55495f6e [2,0,0,0,0,0|1,0,0]=3 4165 B9R0.45 CCCOCCCSCC a587632712094e0a386067bb302c3743 [2,0,0,0,0,0|1,0,0]=3 4166 B9R0.45 CCCOCCNCCBr 9f86e90a071edec2de61cdfd8199e5e2 [2,0,0,0,0,0|2,0,0]=4 4167 B9R0.45 CCCOCCNCCF 1fb0f4589ef80568471bce7090c2014c [2,0,0,0,0,0|2,0,0]=4 4168 B9R0.45 CCCOCCNCCI 8da2f45844ac2d978f81e207bd134493 [2,0,0,0,0,0|2,0,0]=4 4169 B9R0.45 CCCOCCNCCO 2fe038760c01b7075e45b162c476ceb9 [2,0,0,0,0,0|2,0,0]=4 4170 B9R0.45 CCCOCCNCCS 92de6dd4d0d6e015f57d04ac9b343cce [2,0,0,0,0,0|2,0,0]=4 4171 B9R0.45 CCCOCCNCOC 8cb8215fa14e9a27a7b43ec8cd96ceda [2,0,0,0,0,0|2,0,0]=4 4172 B9R0.45 CCCOCCNCSC 6bd7872fd3e7ce7d9d4aa75a52835035 [2,0,0,0,0,0|2,0,0]=4 4173 B9R0.45 CCCOCCOCCC 96ef823798ad295a7793168e0a9a50d1 [2,0,0,0,0,0|1,0,0]=3 4174 B9R0.45 CCCOCCOCCF 8a699727db0990fdbea753b75227c0f9 [2,0,0,0,0,0|2,0,0]=4 4175 B9R0.45 CCCOCCOCCS 135d5deeb48c2dba9fda7000503f9b47 [2,0,0,0,0,0|2,0,0]=4 4176 B9R0.45 CCCOCCOCOC d883cdf177c224a93accb6f6a22cfd33 [2,0,0,0,0,0|2,0,0]=4 4177 B9R0.45 CCCOCCOCSC 6797f3697f583a66f6057547c0c4920a [2,0,0,0,0,0|2,0,0]=4 4178 B9R0.45 CCCOCCSCCC ef95f0015148e44bf9c71ec82f7f1f36 [2,0,0,0,0,0|1,0,0]=3 4179 B9R0.45 CCCOCOCCOC f5c30870d8f3cceba2555c383ac9ca27 [2,0,0,0,0,0|2,0,0]=4 4180 B9R0.45 CCCSCCOCCF db000028d4bac3c185ca2424cafce511 [2,0,0,0,0,0|2,0,0]=4 4181 B9R0.45 CCCSCCOCCS 839eda13d2fd3df796a512bffa6ac820 [2,0,0,0,0,0|2,0,0]=4 4182 B9R0.45 CCCSCCOCOC a9485f0728bb45c5a3674595a8b65d75 [2,0,0,0,0,0|2,0,0]=4 4183 B9R0.45 CCCSCCOCSC 9c50d16cbbe0474e2767510f403e1fbb [2,0,0,0,0,0|2,0,0]=4 4184 B9R0.45 CCNCCCOCCO 6c261c514fd28efb5350d358913fae05 [2,0,0,0,0,0|2,0,0]=4 4185 B9R0.45 CCOCCCOCCF 714535e9c21efd3dc0f9881edb097992 [2,0,0,0,0,0|2,0,0]=4 4186 B9R0.45 CCOCCCOCCS 3a94e0b4ae2eb58123f7cf02194f57c1 [2,0,0,0,0,0|2,0,0]=4 4187 B9R0.45 CCOCCCOCOC 49ca5418b13db09e21d4436e86edc1d1 [2,0,0,0,0,0|2,0,0]=4 4188 B9R0.45 CCOCCCOCSC 5933fe00c4fae79c8d73e60929d6345a [2,0,0,0,0,0|2,0,0]=4 4189 B9R0.45 CCSCCCOCCF ea17b98cdecfe1376818aaae8fa7edc5 [2,0,0,0,0,0|2,0,0]=4 4190 B9R0.45 CCSCCCOCCS a30e9d31c5017336afd5e6cff0a5615d [2,0,0,0,0,0|2,0,0]=4 4191 B9R0.45 CCSCCCOCOC 5cadd01a1a128aae76cfa321e1740b2e [2,0,0,0,0,0|2,0,0]=4 4192 B9R0.45 CCSCCCOCSC c724d727513d8badfd80e3cc53a1bf48 [2,0,0,0,0,0|2,0,0]=4 4193 B9R0.45 COCCCCOCCF 8d811c473848c1b9e465e0faa6d2b7f8 [2,0,0,0,0,0|2,0,0]=4 4194 B9R0.45 COCCCCOCCS 9c136081df91fabb4e2b6ddd13f67835 [2,0,0,0,0,0|2,0,0]=4 4195 B9R0.45 COCCCCOCOC 079bab4bc7a5d63b09a4a47180aaff22 [2,0,0,0,0,0|2,0,0]=4 4196 B9R0.45 COCCCCOCSC b96665b11f1788b8d409908b6cf086a3 [2,0,0,0,0,0|2,0,0]=4 4197 B9R0.45 COCOCCCCCF 552d473a9e75c6c60097fb0f63ff4725 [2,0,0,0,0,0|2,0,0]=4 4198 B9R0.45 COCOCCCCSC 5a8925a203895139b02568d02e8838f1 [2,0,0,0,0,0|2,0,0]=4 4199 B9R0.45 CSCCCCOCCF aac887e51d5db9e5aa39f268153a3254 [2,0,0,0,0,0|2,0,0]=4 4200 B9R0.45 CSCCCCOCCS 33de980d5fadef5f1403ffcc395bac65 [2,0,0,0,0,0|2,0,0]=4 4201 B9R0.45 CSCCCCOCSC 417291c6267fa98c1c8e9917f938c6b4 [2,0,0,0,0,0|2,0,0]=4 4202 B9R0.45 FCCCCCOCCF 730daee247e71afcf11a456cbc27167d [2,0,0,0,0,0|2,0,0]=4 4203 B9R0.45 FCCCCCOCCS c444156405502fbe4bce7524fa0a32df [2,0,0,0,0,0|2,0,0]=4 4204 B9R0.46 C=C(CC)CNCCCC 6b21372b0fb998f0d545c38b79091fc4 [2,0,0,0,0,0|2,0,0]=4 4205 B9R0.46 C=C(CC)COCCCC f20ffa48a6f681e217485ee3a2e54a80 [2,0,0,0,0,0|2,0,0]=4 4206 B9R0.46 CCC(=O)CNCCCCl 084f431780a63ff3cebb43ca20d6371f [2,0,0,0,0,0|2,0,0]=4 4207 B9R0.46 CCC(=O)CNCCCO ad1bcc1a73963d84d1bed75acffddf2c [2,0,0,0,0,0|2,0,0]=4 4208 B9R0.46 CCC(=O)CNCCOC 693ead41c34309cd3f7a29c394f51ce1 [2,0,0,0,0,0|2,0,0]=4 4209 B9R0.46 CCC(=O)CNCCSC 2cc7cb6ff233c8bbb657ae3043f92502 [2,0,0,0,0,0|2,0,0]=4 4210 B9R0.46 CCC(=O)COCCCF 34ba52aa0b28bc859119658e634d4251 [2,0,0,0,0,0|2,0,0]=4 4211 B9R0.46 CCC(=O)COCCCS 2f3d517fdc40535b8ad4d871be51ef0c [2,0,0,0,0,0|2,0,0]=4 4212 B9R0.46 CCC(=O)COCCOC be359e566ead25dabb2a19812354325c [2,0,0,0,0,0|2,0,0]=4 4213 B9R0.46 CCC(=O)COCCSC e6f60d5f418aa82fd04b87e25f46a06e [2,0,0,0,0,0|2,0,0]=4 4214 B9R0.46 CCC(=O)NCCCCCl 8081b71d766c256ee6da55d9cbe39209 [2,0,0,0,0,0|2,0,0]=4 4215 B9R0.46 CCC(=O)NCCCCO 8628e89c17da0854907af2b22bdfd1c4 [2,0,0,0,0,0|2,0,0]=4 4216 B9R0.46 CCC(=O)NCCCCS 8259147db310bd3d03b77243f1626c91 [2,0,0,0,0,0|2,0,0]=4 4217 B9R0.46 CCC(=O)NCCCOC 3d06561303fae74e9ebe236f96b57cdc [2,0,0,0,0,0|2,0,0]=4 4218 B9R0.46 CCC(=O)NCCCSC c0a88e186e06619ed1f956bb505aa757 [2,0,0,0,0,0|2,0,0]=4 4219 B9R0.46 CCC(=O)OCCOCF dac9515ba882d559f224c99beb993b2d [2,0,0,0,0,0|2,0,0]=4 4220 B9R0.46 CCC(=O)OCNCCBr 04a60479c3fae8cce77a2420fc0b6713 [2,0,0,0,0,0|2,0,0]=4 4221 B9R0.46 CCC(=O)OCNCCF b95baeda4ff1a3ff8a2c7d4e7c40b748 [2,0,0,0,0,0|2,0,0]=4 4222 B9R0.46 CCC(=O)OCNCCI 14e9c8e2dc7a21d4a9573bdcfc5044a0 [2,0,0,0,0,0|2,0,0]=4 4223 B9R0.46 CCC(=O)OCNCCO 1f06de0805ea6ede1ea50046dc693666 [2,0,0,0,0,0|2,0,0]=4 4224 B9R0.46 CCC(=O)OCNCCS f97d7fd5dee28bbec1f5640f6f55d6db [2,0,0,0,0,0|2,0,0]=4 4225 B9R0.46 CCC(=O)OCOCCF e5fb342926bb871d1cb290b830b4ffb8 [2,0,0,0,0,0|2,0,0]=4 4226 B9R0.46 CCC(=O)OCOCCS 6f4d5e6c17478e3865487606bb3e4321 [2,0,0,0,0,0|2,0,0]=4 4227 B9R0.46 CCC(=O)OCOCOC b6e9338ebc927d2f6211f21a32802dfc [2,0,0,0,0,0|2,0,0]=4 4228 B9R0.46 CCCCCCN(C)CC 8a417919e488fe1b88a927a0dc8a6acd [2,0,0,0,0,0|2,0,0]=4 4229 B9R0.46 CCCCCNC(=O)CC 849a8920618781fdb82a0336e223971a [2,0,0,0,0,0|1,0,0]=3 4230 B9R0.46 CCCCCNC(=O)CF a05eb2568b07d5cb7d8de0ce30087de3 [2,0,0,0,0,0|2,0,0]=4 4231 B9R0.46 CCCCCNC(=O)CO ec7a3042859a9f12ba052c0da8e4a7aa [2,0,0,0,0,0|2,0,0]=4 4232 B9R0.46 CCCCCNC(=O)CS 03156480cccef12f02d921dd33cd4590 [2,0,0,0,0,0|2,0,0]=4 4233 B9R0.46 CCCCCOC(C)CC fc1eb2247bb34f4c011b4f7d0e4c7945 [2,0,0,0,0,0|1,0,1]=4 4234 B9R0.46 CCCCCO[C@@H](C)CC c4a51e5bded663ac6b4a49e50238da1d [2,0,0,0,0,0|1,0,1]=4 4235 B9R0.46 CCCCCO[C@H](C)CC 114a1823e1afabcf8603ed51c782914a [2,0,0,0,0,0|1,0,1]=4 4236 B9R0.46 CCCCNCC(=O)CC b2e0d743393b788f6d80972415374097 [2,0,0,0,0,0|1,0,0]=3 4237 B9R0.46 CCCCNCC(=O)CO 849bb04887baec980d5ebdd3d5bc69d7 [2,0,0,0,0,0|2,0,0]=4 4238 B9R0.46 CCCCNCC(=O)NC 1e17cf9400576df78ba3d0bbd5e004b2 [2,0,0,0,0,0|2,0,0]=4 4239 B9R0.46 CCCCNCC(=O)OC 90edefb6d3a3ca213013f1f09af4da63 [2,0,0,0,0,0|2,0,0]=4 4240 B9R0.46 CCCCOCC(=O)CC 389316566cd1a1fc2f85978e15274242 [2,0,0,0,0,0|1,0,0]=3 4241 B9R0.46 CCCCOCC(=O)NC cf030b05ed543e346a9154767a28bae4 [2,0,0,0,0,0|2,0,0]=4 4242 B9R0.46 CCCCOCC(=O)OC 3a258f28efc16859d84bb30eb200cc4d [2,0,0,0,0,0|2,0,0]=4 4243 B9R0.46 CCCNCCC(=O)NC 15c9bd5d976b45d01c0fa363e53c356e [2,0,0,0,0,0|2,0,0]=4 4244 B9R0.46 CCCNCCC(=O)OC 05bc030a2f2408fd65b5ffca8abeab98 [2,0,0,0,0,0|2,0,0]=4 4245 B9R0.46 CCCNCCS(=O)CC 35a572faf6496587285f91527b039120 [2,0,0,0,0,0|2,0,0]=4 4246 B9R0.46 CCCNCOC(=O)CC 5135722cfe6a14d8256a85f8111be929 [2,0,0,0,0,0|1,0,0]=3 4247 B9R0.46 CCCNCOC(=O)OC f670b6fcf3cafadb01eab83cce01794d [2,0,0,0,0,0|2,0,0]=4 4248 B9R0.46 CCCOCCC(=O)NC 08e49cdbe7f26a9ed53ba2c0be49d187 [2,0,0,0,0,0|2,0,0]=4 4249 B9R0.46 CCCOCCC(=O)OC 630bff407b7c5972cdb6361bdad86547 [2,0,0,0,0,0|2,0,0]=4 4250 B9R0.46 CCCOCCS(=O)CC df836a83d60347b60939b06320da5af3 [2,0,0,0,0,0|2,0,0]=4 4251 B9R0.46 CCCOCOC(=O)CC fc12ca63d515d86d2f674d2f74a06865 [2,0,0,0,0,0|1,0,0]=3 4252 B9R0.46 CCCOCOC(=O)OC f08733c900934115c08d74dfad3e1662 [2,0,0,0,0,0|2,0,0]=4 4253 B9R0.46 CCNCCCC(=O)OC 8791db4546254853c1d2c8daf04e29f1 [2,0,0,0,0,0|2,0,0]=4 4254 B9R0.46 CCNCCNC(=O)CC d05b1a7e2d3cebad7ef561e08a9f68d4 [2,0,0,0,0,0|2,0,0]=4 4255 B9R0.46 CCOCCCC(=O)NC 8b277ae760d242e65f64127caa0bf565 [2,0,0,0,0,0|2,0,0]=4 4256 B9R0.46 CCOCCNC(=O)CC bb89549179010db70c29ee3b9f4248d0 [2,0,0,0,0,0|2,0,0]=4 4257 B9R0.46 CCOCCOC(=O)CC cbe8829b561f0b4f11227dbb7fca44b4 [2,0,0,0,0,0|1,0,0]=3 4258 B9R0.46 CCOCCOC(=O)OC b297131086651eb5dcd01a50837d46c4 [2,0,0,0,0,0|2,0,0]=4 4259 B9R0.46 CCOCOCC(=O)CC a6933b2b2a32c7e2b806bc01fa6f7247 [2,0,0,0,0,0|2,0,0]=4 4260 B9R0.46 CCSCCNC(=O)CC 70f4cbcf01905cc3c094d724b73e5668 [2,0,0,0,0,0|2,0,0]=4 4261 B9R0.2 CC(=O)NCCCCCCl 9810fdb3b44bef22ae3578265fbb7e47 [2,0,0,0,0,0|2,0,0]=4 4262 B9R0.2 CC(=O)NCCCCCO 6528e540cd36869e25e869b54ef6b7c3 [2,0,0,0,0,0|2,0,0]=4 4263 B9R0.2 CC(=O)OCCCOCF 839300b4a23ae7f13d770824ad5ba603 [2,0,0,0,0,0|2,0,0]=4 4264 B9R0.2 CC(=O)OCCNCCBr 86e70651e2ef68f3f2552b68c9fd9535 [2,0,0,0,0,0|2,0,0]=4 4265 B9R0.2 CC(=O)OCCNCCF bec963d44f70641aefa68f79b9e9f243 [2,0,0,0,0,0|2,0,0]=4 4266 B9R0.2 CC(=O)OCCNCCI 512fc7b78f65a98aaa9b5a24a55dd29e [2,0,0,0,0,0|2,0,0]=4 4267 B9R0.2 CC(=O)OCCNCCO fbc6a9b22162aa146956efcd3fed83de [2,0,0,0,0,0|2,0,0]=4 4268 B9R0.2 CC(=O)OCCNCCS 0d342b6bb6a97266d2b38620542a908c [2,0,0,0,0,0|2,0,0]=4 4269 B9R0.2 CC(=O)OCCOCCF 5233cd269967a92f3e4bf92bf7bbcb9d [2,0,0,0,0,0|2,0,0]=4 4270 B9R0.2 CC(=O)OCCOCCS 63ea2c4adc5d14c13c2d8bc53161cf6c [2,0,0,0,0,0|2,0,0]=4 4271 B9R0.2 CC(=O)OCNCCCCl 4c34a9d20da691b9859482fc9219ac0e [2,0,0,0,0,0|2,0,0]=4 4272 B9R0.2 CC(=O)OCNCCCO 89aaf0a95b5cea62d4321235936deeff [2,0,0,0,0,0|2,0,0]=4 4273 B9R0.2 CC(=O)OCOCCCF 2bfb3b9762b06c6017d0cd676ab47db2 [2,0,0,0,0,0|2,0,0]=4 4274 B9R0.2 CC(=O)OCOCCCS 3586e68ace2929307ff5b4a00f63eae7 [2,0,0,0,0,0|2,0,0]=4 4275 B9R0.2 CCCCCCNC(=O)C 39216d9115deaeddca0efb3bbde5d8cb [2,0,0,0,0,0|1,0,0]=3 4276 B9R0.2 CCCCCCOC(C)C 7177762ff96f664d7658fbf17ddec082 [2,0,0,0,0,0|1,0,1]=4 4277 B9R0.2 CCCCCNCC(=O)C 08234591298ac478e9a5e187e3c7cd4f [2,0,0,0,0,0|2,0,0]=4 4278 B9R0.2 CCCCCOCC(=O)C 499380b88b419c17c81350fa0478ac8c [2,0,0,0,0,0|2,0,0]=4 4279 B9R0.2 CCCCNCCC(=O)C 23aeaf3a105e0d1d74c9a684b3a6ae92 [2,0,0,0,0,0|2,0,0]=4 4280 B9R0.2 CCCCNCOC(=O)C f747ae8d75ae5077cb457c21af32c3d4 [2,0,0,0,0,0|1,0,0]=3 4281 B9R0.2 CCCCOCCC(=O)C 6113a5294b2f420804d815edd80f0f40 [2,0,0,0,0,0|2,0,0]=4 4282 B9R0.2 CCCCOCNC(=O)C c90275af9c3de9eb05be63b1efa3b4d9 [2,0,0,0,0,0|2,0,0]=4 4283 B9R0.2 CCCCOCOC(=O)C 52b453d7294c4b6acb8f00c70315374a [2,0,0,0,0,0|1,0,0]=3 4284 B9R0.2 CCCNCCCC(=O)C 59b56db2c5ba6f2408c45d91cf5d07cf [2,0,0,0,0,0|2,0,0]=4 4285 B9R0.2 CCCNCCNC(=O)C 8ec9c538248c1278a7a78c753f9b558d [2,0,0,0,0,0|2,0,0]=4 4286 B9R0.2 CCCNCCOC(=O)C 1f7e1f87180a6b7613488d41ed0bd627 [2,0,0,0,0,0|1,0,0]=3 4287 B9R0.2 CCCNCCSC(=O)C 9a734654dda6d6cb5b5c8675b98c7ffb [2,0,0,0,0,0|1,1,0]=4 4288 B9R0.2 CCCOCCCC(=O)C 3197867314079ee7d28a75ba48b024e1 [2,0,0,0,0,0|2,0,0]=4 4289 B9R0.2 CCCOCCNC(=O)C 2d108407d153229ed52501407a328bfe [2,0,0,0,0,0|2,0,0]=4 4290 B9R0.2 CCCOCCOC(=O)C f41b865aa303cc7ca2bd22086d82154a [2,0,0,0,0,0|1,0,0]=3 4291 B9R0.2 CCCOCCSC(=O)C e5fbc3852cf2e5bc0f0d48122e1eb071 [2,0,0,0,0,0|1,1,0]=4 4292 B9R0.2 CCNCCCNC(=O)C 81f3181e8e4443de7d578da2748320f4 [2,0,0,0,0,0|2,0,0]=4 4293 B9R0.2 CCOCCCCC(=O)C ecee09a6206772fa3d500ecaf82261c4 [2,0,0,0,0,0|2,0,0]=4 4294 B9R0.2 CCOCCCNC(=O)C c5dadd69f1df46bcde7d3d147d2b830b [2,0,0,0,0,0|2,0,0]=4 4295 B9R0.2 CCOCCCOC(=O)C 521ac746c4773e46268f3042c9c9e91c [2,0,0,0,0,0|1,0,0]=3 4296 B9R0.2 CCOCCCSC(=O)C c7c25084ef75859ffb4a847bdfcca873 [2,0,0,0,0,0|1,1,0]=4 4297 B9R0.2 COCCCCNC(=O)C 4f652cda1775947bb169784843d0beab [2,0,0,0,0,0|2,0,0]=4 4298 B9R0.2 COCCNCOC(=O)C 7c792011f968ec1a1d9667b50dc4d640 [2,0,0,0,0,0|2,0,0]=4 4299 B9R0.2 COCCOCOC(=O)C 3c0c9969f08b445ef676eb92f534751f [2,0,0,0,0,0|2,0,0]=4 4300 B9R0.2 COCOCCOC(=O)C c1d21b4657b103686de2e70024d8053c [2,0,0,0,0,0|2,0,0]=4 4301 B9R0.2 CSCCCCNC(=O)C fe724d5efdffb6641eb31ec001ed77cf [2,0,0,0,0,0|2,0,0]=4 4302 B9R0.2 CSCCNCOC(=O)C 4a9417d660a2b8f603a487e0613a69d1 [2,0,0,0,0,0|2,0,0]=4 4303 B9R0.2 CSCCOCOC(=O)C 4ce161e7666f6d339ad656d877b5738e [2,0,0,0,0,0|2,0,0]=4 4304 B9R0.2 CSCOCCOC(=O)C 85f658ca31404ad6a9d937e79a707f17 [2,0,0,0,0,0|2,0,0]=4 4305 B11R0.2 C=C(C)CC(=O)NCCCCC 6af859944a288786d4659af549d01d44 [1,1,0,0,0,0|1,0,1]=4 4306 B11R0.2 CC(C)CC(=O)CNCCCCl 930074b1c7249b3a19391ea740bf4873 [1,1,0,0,0,0|2,0,0]=4 4307 B11R0.2 CC(C)CC(=O)CNCCCO a5e81d8b94b846ce8dadad1d8942e2f8 [1,1,0,0,0,0|2,0,0]=4 4308 B11R0.2 CC(C)CC(=O)COCCCF e2550c187a329af593a463d5f97db5a4 [1,1,0,0,0,0|2,0,0]=4 4309 B11R0.2 CC(C)CC(=O)COCCCS 3bfcdcc00ac589b5037b095b4bb22e6a [1,1,0,0,0,0|2,0,0]=4 4310 B11R0.2 CC(C)CC(=O)NCCCCCl fbbc2f2a5db1f51ee9ace8896599af3b [1,1,0,0,0,0|2,0,0]=4 4311 B11R0.2 CC(C)CC(=O)NCCCCO 081df9ee4582c51e92160534c97b2cee [1,1,0,0,0,0|2,0,0]=4 4312 B11R0.2 CC(C)CC(=O)NCCCCS 0063b0b9bb21854adb4c33c77cc47f22 [1,1,0,0,0,0|2,0,0]=4 4313 B11R0.2 CC(C)CC(=O)OCNCCBr 6116c745f7d0cc5b2d16545ded3e2f21 [1,1,0,0,0,0|2,0,0]=4 4314 B11R0.2 CC(C)CC(=O)OCNCCF 047fa6f8ca89c9f5493780c49ec104c5 [1,1,0,0,0,0|2,0,0]=4 4315 B11R0.2 CC(C)CC(=O)OCNCCI ec4694bc5e3598956d55e9f229b7ea28 [1,1,0,0,0,0|2,0,0]=4 4316 B11R0.2 CC(C)CC(=O)OCNCCO 95442db96f2cbe63cd261836009e706f [1,1,0,0,0,0|2,0,0]=4 4317 B11R0.2 CC(C)CC(=O)OCNCCS c467ecc9d072a5f1eb0fb76bcc87b487 [1,1,0,0,0,0|2,0,0]=4 4318 B11R0.2 CC(C)CC(=O)OCOCCF 841c9d8dd827185c82d7718858004319 [1,1,0,0,0,0|2,0,0]=4 4319 B11R0.2 CC(C)CC(=O)OCOCCS 2b5f41f376f5b9507024637b8c0c6429 [1,1,0,0,0,0|2,0,0]=4 4320 B11R0.2 CC(O)CC(=O)NCCCCCl 08e9c0ec64ab0bc14bfa10d8b0e5223c [1,1,0,0,0,0|2,0,0]=4 4321 B11R0.2 CC(O)CC(=O)NCCCCO 2170a8668fcb9fff25559d9be3c31212 [1,1,0,0,0,0|2,0,0]=4 4322 B11R0.2 CC(O)CC(=O)NCCCCS 1244d8f3876319c4f4507a91493dd1cb [1,1,0,0,0,0|2,0,0]=4 4323 B11R0.2 CCCCCCN(C)CC(C)C 75381f5b030f59775455731f978dd2db [1,1,0,0,0,0|2,0,0]=4 4324 B11R0.2 CCCCCCN(C)CC(C)O a9dd09345b7ade61af05dba120ab6503 [1,1,0,0,0,0|2,0,0]=4 4325 B11R0.2 CCCCCCN(C)C[C@@H](C)O c920e3f5d8a26d97a0c4849baa4d03d2 [1,1,0,0,0,0|2,0,0]=4 4326 B11R0.2 CCCCCCN(C)C[C@H](C)O 94f3e4ffc4936f66a71ce3f1da85b272 [1,1,0,0,0,0|2,0,0]=4 4327 B11R0.2 CCCCCNC(=O)CC(=O)C b9f6fefcf600ebaa9b87d233da70a209 [1,1,0,0,0,0|1,0,1]=4 4328 B11R0.2 CCCCCNC(=O)CC(C)C 692756888e78a392ba26d7edfbe106d1 [1,1,0,0,0,0|1,0,0]=3 4329 B11R0.2 CCCCCNC(=O)CC(C)O a7310630ee05db8507d17f6f5635f1f7 [1,1,0,0,0,0|1,0,0]=3 4330 B11R0.2 CCCCCNC(=O)CC(F)F 5f7634a729a8e19581f399337581a4e2 [1,1,0,0,0,0|2,0,0]=4 4331 B11R0.2 CCCCCNC(=O)CN(C)C b4afbf5b3369d8b32020b069f1a97739 [1,1,0,0,0,0|2,0,0]=4 4332 B11R0.2 CCCCCNC(=O)C[C@@H](C)O 74bdad8f051e73e767c01c34354bb00a [1,1,0,0,0,0|1,0,0]=3 4333 B11R0.2 CCCCCNC(=O)C[C@H](C)O 0641d6521812951e3665c5f041988d44 [1,1,0,0,0,0|1,0,0]=3 4334 B11R0.2 CCCCCOC(C)CC(C)C be39f1add9f222b1159083d9fa6823a0 [1,1,0,0,0,0|1,0,1]=4 4335 B11R0.2 CCCCCO[C@@H](C)CC(C)C fb1ef9a0ecb52f623619cbd49cf4f2fa [1,1,0,0,0,0|1,0,1]=4 4336 B11R0.2 CCCCCO[C@H](C)CC(C)C 646deb2ca3d348336771ca933ec06dc5 [1,1,0,0,0,0|1,0,1]=4 4337 B11R0.2 CCCCNCC(=O)CC(C)C d006389757a0c299b82d73977ac5807c [1,1,0,0,0,0|1,0,0]=3 4338 B11R0.2 CCCCNCC(=O)NC(C)C d2a0a2d2be61063170c1cf443c992bf5 [1,1,0,0,0,0|2,0,0]=4 4339 B11R0.2 CCCCNCC(=O)OC(C)C 0d93469e7c059200d74b3a7823278d8c [1,1,0,0,0,0|2,0,0]=4 4340 B11R0.2 CCCCOCC(=O)CC(C)C 62a3b9dc30cfaf821d5bee4eb15dafce [1,1,0,0,0,0|1,0,0]=3 4341 B11R0.2 CCCCOCC(=O)NC(C)C 10cd1ce0ae5762eecfdc0632dcc100b7 [1,1,0,0,0,0|2,0,0]=4 4342 B11R0.2 CCCCOCC(=O)OC(C)C c8359866a0c386741b6f770b158ef158 [1,1,0,0,0,0|2,0,0]=4 4343 B11R0.2 CCCNCCC(=O)NC(C)C cf28a83af0ce398bf164361553fccfdb [1,1,0,0,0,0|2,0,0]=4 4344 B11R0.2 CCCNCCC(=O)OC(C)C 617b9bdc099c5dfc4a5db8b085d84bb1 [1,1,0,0,0,0|2,0,0]=4 4345 B11R0.2 CCCNCOC(=O)CC(C)C 03b8532101a58edc6670b3ee855d793c [1,1,0,0,0,0|1,0,0]=3 4346 B11R0.2 CCCNCOC(=O)OC(C)C 39af71b9c7ea7cbd553475d1b5af1789 [1,1,0,0,0,0|2,0,0]=4 4347 B11R0.2 CCCOCCC(=O)NC(C)C b8e0a346d4801f48561d5f1260caff0e [1,1,0,0,0,0|2,0,0]=4 4348 B11R0.2 CCCOCCC(=O)OC(C)C 2b4f838143f5a6f9d79fa2c191c7046a [1,1,0,0,0,0|2,0,0]=4 4349 B11R0.2 CCCOCOC(=O)CC(C)C e5fa797e9f664b75ef33720be87bc236 [1,1,0,0,0,0|1,0,0]=3 4350 B11R0.2 CCCOCOC(=O)OC(C)C 10f0b70ecab0462d31526dc903fbd9c7 [1,1,0,0,0,0|2,0,0]=4 4351 B11R0.2 CCOCCNC(=O)CC(C)C cb162822ec16b8301c9a66a6a107d8a2 [1,1,0,0,0,0|2,0,0]=4 4352 B11R0.2 CCOCCNC(=O)CC(C)O fd4466b818ee2c9986533eff19a5f286 [1,1,0,0,0,0|2,0,0]=4 4353 B11R0.2 CCOCCNC(=O)C[C@@H](C)O e8fb69fcde1b2631ba0c3bad607b375b [1,1,0,0,0,0|2,0,0]=4 4354 B11R0.2 CCOCCNC(=O)C[C@H](C)O ddd6bd9aea43238095b575e5a9a008c3 [1,1,0,0,0,0|2,0,0]=4 4355 B11R0.2 CCSCCNC(=O)CC(C)C 6a696d42ecea470a00c5d7ee065504bb [1,1,0,0,0,0|2,0,0]=4 4356 B11R0.2 CCSCCNC(=O)CC(C)O 71abab4563844dea9cb7571a81a28b67 [1,1,0,0,0,0|2,0,0]=4 4357 B11R0.2 CCSCCNC(=O)C[C@@H](C)O b95fa1652ca1da94ac878099c1c745d3 [1,1,0,0,0,0|2,0,0]=4 4358 B11R0.2 CCSCCNC(=O)C[C@H](C)O 50d078858b13aea0e29010cac3849b3b [1,1,0,0,0,0|2,0,0]=4 4359 B11R0.2 COCCCNC(=O)CC(C)C a94ed003fb27e2ea2f0b33e661356322 [1,1,0,0,0,0|2,0,0]=4 4360 B11R0.2 COCCCNC(=O)CC(C)O 9885c433e6138ea970f03a96d4d1b6f1 [1,1,0,0,0,0|2,0,0]=4 4361 B11R0.2 COCCCNC(=O)C[C@@H](C)O 10493194949c40bdf81a06d879615199 [1,1,0,0,0,0|2,0,0]=4 4362 B11R0.2 COCCCNC(=O)C[C@H](C)O 491dc2516793026d61007932dc2c8f56 [1,1,0,0,0,0|2,0,0]=4 4363 B11R0.2 COCCNCC(=O)CC(C)C 902434f8348206c2764617a1113ca601 [1,1,0,0,0,0|2,0,0]=4 4364 B11R0.2 COCCOCC(=O)CC(C)C 9a10582487ad7620dee8636bece1596f [1,1,0,0,0,0|2,0,0]=4 4365 B11R0.2 COCOCOC(=O)CC(C)C 686bd2e00759dbb1c7d536b20d2b9b6f [1,1,0,0,0,0|2,0,0]=4 4366 B11R0.2 CSCCCNC(=O)CC(C)C 59ff4945422dd3bd4f45807f6f1cf5f1 [1,1,0,0,0,0|2,0,0]=4 4367 B11R0.2 CSCCCNC(=O)CC(C)O 4f06adbd1522e296d9bcc936bc677983 [1,1,0,0,0,0|2,0,0]=4 4368 B11R0.2 CSCCCNC(=O)C[C@@H](C)O 560f57fd9a1e2926d9d81740345e1fbf [1,1,0,0,0,0|2,0,0]=4 4369 B11R0.2 CSCCCNC(=O)C[C@H](C)O 1d7582670b933f8ffa2def677a754f70 [1,1,0,0,0,0|2,0,0]=4 4370 B11R0.2 CSCCNCC(=O)CC(C)C 64eded999511b81d3d23afc96406b800 [1,1,0,0,0,0|2,0,0]=4 4371 B11R0.2 CSCCOCC(=O)CC(C)C ebe0a8de62432aef7b8d01556d334c20 [1,1,0,0,0,0|2,0,0]=4 4372 B11R0.2 C[C@@H](O)CC(=O)NCCCCCl ffbdfb73f11ebc13eed18e75185e2dc6 [1,1,0,0,0,0|2,0,0]=4 4373 B11R0.2 C[C@@H](O)CC(=O)NCCCCO b656f660e1ad30a1bba8ab14f099cc82 [1,1,0,0,0,0|2,0,0]=4 4374 B11R0.2 C[C@@H](O)CC(=O)NCCCCS 0252a68104a58743ead6f67151a4dd3c [1,1,0,0,0,0|2,0,0]=4 4375 B11R0.2 C[C@H](O)CC(=O)NCCCCCl 434e7a53ac3992dc383d99925d2ccfa7 [1,1,0,0,0,0|2,0,0]=4 4376 B11R0.2 C[C@H](O)CC(=O)NCCCCO f0b7e597124b088bc45d4bae845bd7ea [1,1,0,0,0,0|2,0,0]=4 4377 B11R0.2 C[C@H](O)CC(=O)NCCCCS beb6ce9d542c36642e9b64da17e441df [1,1,0,0,0,0|2,0,0]=4 4378 B11R0.5 CCCC(=O)CN(C)CCCO 3176a519d03ba43dcee12bd5417a99aa [1,1,0,0,0,0|2,0,0]=4 4379 B11R0.5 CCCC(=O)CN(C)CCOC 4b22370bf6e741b560047f4cfea93549 [1,1,0,0,0,0|2,0,0]=4 4380 B11R0.5 CCCC(=O)CN(C)CCSC 3861c4c0429c839f876c0b92675dbc22 [1,1,0,0,0,0|2,0,0]=4 4381 B11R0.5 CCCC(=O)NC(C)CCCO c653f3238dd5ed5ce22fbd0bf1f1e75f [1,1,0,0,0,0|2,0,0]=4 4382 B11R0.5 CCCC(=O)N[C@H](C)CCCO c022a4354d04fa63464693a3796bd84f [1,1,0,0,0,0|2,0,0]=4 4383 B11R0.5 CCCCC(C)NC(=O)CCC 43436934f24e745885dfbadec08128d1 [1,1,0,0,0,0|1,0,0]=3 4384 B11R0.5 CCCCC(C)NC(=O)CCF cda440c74a569fab8e1afa816d18d04a [1,1,0,0,0,0|2,0,0]=4 4385 B11R0.5 CCCCC(C)NC(=O)CCO 1b9d98a6035ede469114e581d81e339d [1,1,0,0,0,0|2,0,0]=4 4386 B11R0.5 CCCCC(C)NC(=O)CCS edc03cd7374c69f14e827a3a34772526 [1,1,0,0,0,0|2,0,0]=4 4387 B11R0.5 CCCCC(C)NC(=O)COC f7dde75e19c01301ddf951d10524cbeb [1,1,0,0,0,0|2,0,0]=4 4388 B11R0.5 CCCCC(C)NC(=O)CSC 79c76642976c4c66103a112bee688d8c [1,1,0,0,0,0|2,0,0]=4 4389 B11R0.5 CCCCC(C)OC(=S)CCC 0c4270cad6dfde75c78c81454c1eb24c [1,1,0,0,0,0|0,1,0]=3 4390 B11R0.5 CCCCC(C)OC(C)CCC 15718631eb67924817f99c568538e079 [1,1,0,0,0,0|1,0,1]=4 4391 B11R0.5 CCCCC(C)O[C@@H](C)CCC 64777bdc1b8eebb8dd7a9935014fd0b6 [1,1,0,0,0,0|1,0,1]=4 4392 B11R0.5 CCCCC(C)O[C@H](C)CCC 0ddd87afd86c4e18b69d322622fd9252 [1,1,0,0,0,0|1,0,1]=4 4393 B11R0.5 CCCCN(C)CC(=O)CCC 2c9d1b447eaaf33a4021bbf9ae8724ad [1,1,0,0,0,0|1,0,0]=3 4394 B11R0.5 CCCCN(C)CC(=O)COC 2398394d7bd3e9e173980d8f84a46013 [1,1,0,0,0,0|2,0,0]=4 4395 B11R0.5 CCCCN(C)CC(=O)NCC 4e7624ee18d03d9dffcf9124edde8a28 [1,1,0,0,0,0|2,0,0]=4 4396 B11R0.5 CCCCN(C)CC(=O)OCC 66588873868685277f1e6323ca93ab3b [1,1,0,0,0,0|2,0,0]=4 4397 B11R0.5 CCCC[C@@H](C)NC(=O)CCC b900024a5ad230bdc04e528498061486 [1,1,0,0,0,0|1,0,0]=3 4398 B11R0.5 CCCC[C@@H](C)NC(=O)CCF 93c934f351e64ccf8e2d521aa9e42fe2 [1,1,0,0,0,0|2,0,0]=4 4399 B11R0.5 CCCC[C@@H](C)NC(=O)CCO 01d87af3b75d31c5fff556ee40effeba [1,1,0,0,0,0|2,0,0]=4 4400 B11R0.5 CCCC[C@@H](C)NC(=O)CCS fe705c5d8d60b5621a19a2d183083fe0 [1,1,0,0,0,0|2,0,0]=4 4401 B11R0.5 CCCC[C@@H](C)NC(=O)COC f016a4f80e22fff5992dc6293ea396fc [1,1,0,0,0,0|2,0,0]=4 4402 B11R0.5 CCCC[C@@H](C)NC(=O)CSC 360791f73cc423f58950b480a5db3482 [1,1,0,0,0,0|2,0,0]=4 4403 B11R0.5 CCCC[C@@H](C)OC(C)CCC 9fb00506971cd8a345085f963c397612 [1,1,0,0,0,0|1,0,1]=4 4404 B11R0.5 CCCC[C@H](C)OC(C)CCC 9aafe441cab49d6d7485972a114429bf [1,1,0,0,0,0|1,0,1]=4 4405 B11R0.5 CCCNC(=O)CC(=O)CCC 30d8467f4d3826bdfaf412166a0af84b [1,1,0,0,0,0|1,0,1]=4 4406 B11R0.5 CCCNC(C)CC(=O)OCC 4cd8834a858e3d0a1873cc056d8991da [1,1,0,0,0,0|2,0,0]=4 4407 B11R0.5 CCCNC(C)OC(=O)OCC 63c80613f8e796087da31e8ca1b05e75 [1,1,0,0,0,0|2,0,0]=4 4408 B11R0.5 CCCOC(C)CC(=O)OCC a9a559828e9beac6ca0cba22bdf2c0ed [1,1,0,0,0,0|2,0,0]=4 4409 B11R0.5 CCCOC(C)OC(=O)OCC 04395d9cacdeb76959acd261d30b7e51 [1,1,0,0,0,0|2,0,0]=4 4410 B11R0.5 CCCO[C@@H](C)CC(=O)OCC 99e55bc55c2f57c9f328e26219482cbd [1,1,0,0,0,0|2,0,0]=4 4411 B11R0.5 CCCO[C@H](C)CC(=O)OCC 50122b0db756fef3e2071464e7d8c83a [1,1,0,0,0,0|2,0,0]=4 4412 B11R0.62 CCCC(=O)CNC(C)CCC 6632afc944bce25b7a2f02221949bcdf [1,1,0,0,0,0|1,0,0]=3 4413 B11R0.62 CCCC(=O)CNC(C)CCO 83e76239f3daf3d2bf7b48b0b274053c [1,1,0,0,0,0|2,0,0]=4 4414 B11R0.62 CCCC(=O)CNC(C)COC ff7faeeaa4989a59ec865a8180aac37f [1,1,0,0,0,0|2,0,0]=4 4415 B11R0.62 CCCC(=O)CN[C@@H](C)CCC f5155482ba35dcd819963dc622d6e7c7 [1,1,0,0,0,0|1,0,0]=3 4416 B11R0.62 CCCC(=O)CN[C@@H](C)CCO 873a1ca628d16c2c381c6dfc895acc14 [1,1,0,0,0,0|2,0,0]=4 4417 B11R0.62 CCCC(=O)CN[C@@H](C)COC 9f69ccd8996eac96f316cb3abd7fe5b1 [1,1,0,0,0,0|2,0,0]=4 4418 B11R0.62 CCCC(=O)CN[C@H](C)CCO b9883e2cc89165c1d35c13c0441059e9 [1,1,0,0,0,0|2,0,0]=4 4419 B11R0.62 CCCC(=O)CN[C@H](C)COC e808b3609edb8c9c0757f0595a31d441 [1,1,0,0,0,0|2,0,0]=4 4420 B11R0.62 CCCC(=O)COC(=S)CCC 09b6a45b0e488d394f5eefb65d74c8c0 [1,1,0,0,0,0|0,1,1]=4 4421 B11R0.62 CCCC(=O)COC(C)CCC 41a5141b1797466a137db310153bc0fb [1,1,0,0,0,0|1,0,0]=3 4422 B11R0.62 CCCC(=O)COC(C)COC 344d5864b4730163584b5a95c22ae95d [1,1,0,0,0,0|2,0,0]=4 4423 B11R0.62 CCCC(=O)COC(C)CSC ed1a91297810d6a0a4c6dff575e809ff [1,1,0,0,0,0|2,0,0]=4 4424 B11R0.62 CCCC(=O)CO[C@@H](C)CCC d84216eaff112d2ebe7a5edfc1e5a392 [1,1,0,0,0,0|1,0,0]=3 4425 B11R0.62 CCCC(=O)CO[C@@H](C)COC ea0de5b1df7d4d7cfa3ce4591e8dda6e [1,1,0,0,0,0|2,0,0]=4 4426 B11R0.62 CCCC(=O)CO[C@H](C)CCC 738e2a5af0cfe369cb0c7327cd5938d9 [1,1,0,0,0,0|1,0,0]=3 4427 B11R0.62 CCCC(=O)CO[C@H](C)COC 090542cd3b37dcb1262ad240df10b60b [1,1,0,0,0,0|2,0,0]=4 4428 B11R0.62 CCCC(=O)NCC(C)CCO 71ad7d238594608d58c9fe5a067eab0a [1,1,0,0,0,0|2,0,0]=4 4429 B11R0.62 CCCC(=O)NCC(C)OCC 5402a150bb43f858f655038d2be6e996 [1,1,0,0,0,0|2,0,0]=4 4430 B11R0.62 CCCC(=O)NCC(O)CCC 4a65aec58a4bf3eeef8107bd670efb46 [1,1,0,0,0,0|1,0,0]=3 4431 B11R0.62 CCCC(=O)NCC(O)COC f7b7df33f807eed4834850641dbcc898 [1,1,0,0,0,0|2,0,0]=4 4432 B11R0.62 CCCC(=O)NC[C@H](O)COC 3191e9796c2bc6098082cc8668d7706f [1,1,0,0,0,0|2,0,0]=4 4433 B11R0.62 CCCC(=O)OCN(C)CCC 3f81cb354cfe83830751d858b6d8e501 [1,1,0,0,0,0|1,0,0]=3 4434 B11R0.62 CCCC(=O)OCN(C)CCF 482e0adedfb527a5f0e6dcf2df43ce64 [1,1,0,0,0,0|2,0,0]=4 4435 B11R0.62 CCCC(=O)OCN(C)CCO 8a0a3e878da1c941a36d5b85da5e3b02 [1,1,0,0,0,0|2,0,0]=4 4436 B11R0.62 CCCC(=S)OCC(C)CCC e073cff525470b00703e360819cad89b [1,1,0,0,0,0|0,1,0]=3 4437 B11R0.62 CCCC(=S)OC[C@@H](O)CCO 2949f1c59e5c5a185240b76bfc9dfc7b [1,1,0,0,0,0|1,1,0]=4 4438 B11R0.62 CCCC(C)COC(C)CCC 2bdb0abc0cedae695fd57d79b603ac43 [1,1,0,0,0,0|1,0,1]=4 4439 B11R0.62 CCCC(C)CO[C@@H](C)CCC 697120d159021991d84a3d75b428f05c [1,1,0,0,0,0|1,0,1]=4 4440 B11R0.62 CCCC(C)CO[C@H](C)CCC 247eea56da67c6a40d61884f244b0813 [1,1,0,0,0,0|1,0,1]=4 4441 B11R0.62 CCCC(C)NCC(=O)COC 432bf82a1a92312de276c2dae829066f [1,1,0,0,0,0|2,0,0]=4 4442 B11R0.62 CCCC(C)NCC(=O)NCC ab1f9eb1d29a69daafcbc853180f4461 [1,1,0,0,0,0|2,0,0]=4 4443 B11R0.62 CCCC(C)NCC(=O)OCC 1466e7da9bc0611f9bd8bf212eb7b390 [1,1,0,0,0,0|2,0,0]=4 4444 B11R0.62 CCCC(C)OCC(=O)COC 9b8d89769f63c563b06f445cdfb8771a [1,1,0,0,0,0|2,0,0]=4 4445 B11R0.62 CCCC(C)OCC(=O)NCC 580b0b17ff4033bf69573630acd1cb41 [1,1,0,0,0,0|2,0,0]=4 4446 B11R0.62 CCCC(C)OCC(=O)OCC 4586f4226b99b0b6e1f84961c98bd4e7 [1,1,0,0,0,0|2,0,0]=4 4447 B11R0.62 CCCC(O)CNC(=O)CCF 86d0c022d84ddeb4c1d0cf549484e865 [1,1,0,0,0,0|2,0,0]=4 4448 B11R0.62 CCCC(O)CNC(=O)CCO 974ffa0a02f5d2419682d501ed47d0b4 [1,1,0,0,0,0|2,0,0]=4 4449 B11R0.62 CCCC(O)CNC(=O)CCS 5437c42a35a9875549c9f63bd20c014f [1,1,0,0,0,0|2,0,0]=4 4450 B11R0.62 CCCC(O)CNC(=O)COC 6ba64c6ad6e43d7f14cae1e4e516b59e [1,1,0,0,0,0|2,0,0]=4 4451 B11R0.62 CCCC(O)CNC(=O)CSC d401cb41b399bfffc0b2977ed25b6354 [1,1,0,0,0,0|2,0,0]=4 4452 B11R0.62 CCCN(C)CCC(=O)NCC 1bd80fa459c81663c09e9bdc7cc88db1 [1,1,0,0,0,0|2,0,0]=4 4453 B11R0.62 CCCN(C)CCC(=O)OCC 14094970035f583cd4542bf75bcb2b18 [1,1,0,0,0,0|2,0,0]=4 4454 B11R0.62 CCCN(C)COC(=O)OCC c05e4893d29622f6fc5984c750d7a60e [1,1,0,0,0,0|2,0,0]=4 4455 B11R0.62 CCCN(C)COC(=O)SCC 1cf50c2c9a3cf95e5a77194f9b4a228d [1,1,0,0,0,0|2,0,0]=4 4456 B11R0.62 CCC[C@@H](C)OCC(=O)COC f1c299ffbc4d446971094ee2674fea41 [1,1,0,0,0,0|2,0,0]=4 4457 B11R0.62 CCC[C@@H](C)OCC(=O)NCC 3c60785c5317a71bf18f3514eb2a4e08 [1,1,0,0,0,0|2,0,0]=4 4458 B11R0.62 CCC[C@@H](C)OCC(=O)OCC 117854438b5e57e82698512a18bdb091 [1,1,0,0,0,0|2,0,0]=4 4459 B11R0.62 CCC[C@H](C)NCC(=O)COC c5ab050202d1dd1ae4396171e9cbe6c8 [1,1,0,0,0,0|2,0,0]=4 4460 B11R0.62 CCC[C@H](C)NCC(=O)NCC aefc4c136b122b167492988746b22cec [1,1,0,0,0,0|2,0,0]=4 4461 B11R0.62 CCC[C@H](C)NCC(=O)OCC 84d0944129be6ca109c315b6adc7184f [1,1,0,0,0,0|2,0,0]=4 4462 B11R0.62 CCC[C@H](C)OCC(=O)COC 0cb6be37d7cf601ce4ce142b094697e8 [1,1,0,0,0,0|2,0,0]=4 4463 B11R0.62 CCC[C@H](C)OCC(=O)NCC 0c455e40df9595aacbe1f99f4fa8aae7 [1,1,0,0,0,0|2,0,0]=4 4464 B11R0.62 CCC[C@H](C)OCC(=O)OCC 4f8e65c4f7fb19978641c08a99e6fd3d [1,1,0,0,0,0|2,0,0]=4 4465 B11R0.81 C#CCCC(=O)CCOCCC 9ec7f839be61337badc09eda437d48c5 [1,1,0,0,0,0|1,0,1]=4 4466 B11R0.81 C#CCCC(=O)NCCCCC 3121f7ea77c076ecb80d6df1e79199cc [1,1,0,0,0,0|1,0,1]=4 4467 B11R0.81 C#CCCCCC(=O)NCCC 1dbb73605814c967193cad0f336bd06c [1,1,0,0,0,0|0,0,2]=4 4468 B11R0.81 C#CCNC(=O)CCCCCC b4ba5df459510b38869c766023edf1d3 [1,1,0,0,0,0|0,0,2]=4 4469 B11R0.81 C/C=C/CC(=O)NCCCCC 774328c90bf0e133b0d7bc3d5e34ebd5 [1,1,0,0,0,0|1,0,1]=4 4470 B11R0.81 C/C=C/CCCC(=O)NCCC 320cd7ca372be81d7dd0b97c4069ce50 [1,1,0,0,0,0|0,0,2]=4 4471 B11R0.81 C=CCCC(=O)NCCCCC 8331c8a4efa9f058d9d4ef6f4946e414 [1,1,0,0,0,0|1,0,1]=4 4472 B11R0.81 C=CCCCCC(=O)NCCC 28a0bb638f79250ce6f15a0997bbd7ad [1,1,0,0,0,0|0,0,2]=4 4473 B11R0.81 CC#CCC(=O)NCCCCC 96d7b3587e44b3a746a6efa72fbdfada [1,1,0,0,0,0|1,0,1]=4 4474 B11R0.81 CC/C=C/C(=O)NCCCCC 63095eac04d1c62a52939bfac6587eba [1,1,0,0,0,0|1,0,1]=4 4475 B11R0.81 CC/C=C\C(=O)NCCCCC 00a2c477e9b53f6a09878b7b0fed634a [1,1,0,0,0,0|1,0,1]=4 4476 B11R0.81 CCC#CC(=O)NCCCCC 7458a67d0f9814e5b6cd4cf10b95ddb1 [1,1,0,0,0,0|1,0,1]=4 4477 B11R0.81 CCC/C=C/CC(=O)NCCC 40794eac8680af8f7b27b0cc3497eac7 [1,1,0,0,0,0|0,0,2]=4 4478 B11R0.81 CCC=CC(=O)NCCCCC d5f9dee0e9e7159b1708be5a61788ec4 [1,1,0,0,0,0|1,0,1]=4 4479 B11R0.81 CCCC/C=C/C(=O)NCCC 96ad6cfe920fad2b1e8dcae5661c3046 [1,1,0,0,0,0|0,0,2]=4 4480 B11R0.81 CCCCC#CC(=O)NCCC 7705f0150ec4caaab8a5325172b0dc30 [1,1,0,0,0,0|0,0,2]=4 4481 B11R0.81 CCCCC(=O)NCCCCCl b9536b0c8f50ac92230f25eea98ed7d1 [1,1,0,0,0,0|2,0,0]=4 4482 B11R0.81 CCCCC(=O)NCCCCO fa42fcd441c7069b7e8d15f43c375c64 [1,1,0,0,0,0|2,0,0]=4 4483 B11R0.81 CCCCC(=O)NCCCCS ce90c047aecddf54e66da494b3c8c31b [1,1,0,0,0,0|2,0,0]=4 4484 B11R0.81 CCCCC(=O)NCCCOC d86159687395af2cdbf73960d6c053a1 [1,1,0,0,0,0|2,0,0]=4 4485 B11R0.81 CCCCC(=O)NCCCSC be82751f82a49c9ebe55528be38267ca [1,1,0,0,0,0|2,0,0]=4 4486 B11R0.81 CCCCC(=O)NCCOCC bcdbd9d41426e95de40e68225afe50a3 [1,1,0,0,0,0|2,0,0]=4 4487 B11R0.81 CCCCC(=O)NCCSCC 3dc1a80f6b8f71092a353e3e3c630639 [1,1,0,0,0,0|2,0,0]=4 4488 B11R0.81 CCCCC(=O)OCNCCBr b35cf5afed991c05e50b5e7336955d2a [1,1,0,0,0,0|2,0,0]=4 4489 B11R0.81 CCCCC(=O)OCNCCC 189a0251ea5eef3ed179b78ec37eca6d [1,1,0,0,0,0|1,0,0]=3 4490 B11R0.81 CCCCC(=O)OCNCCF 92476339d76daf98486af68d9dd3ae23 [1,1,0,0,0,0|2,0,0]=4 4491 B11R0.81 CCCCC(=O)OCNCCI ec98e23477297f49500e4903c8c00086 [1,1,0,0,0,0|2,0,0]=4 4492 B11R0.81 CCCCC(=O)OCNCCO a2247b6664afd75a70edee19128d94db [1,1,0,0,0,0|2,0,0]=4 4493 B11R0.81 CCCCC(=O)OCNCCS 031b8d3582f8442adf31521fd13d67be [1,1,0,0,0,0|2,0,0]=4 4494 B11R0.81 CCCCC(=O)OCOCCC 0911490fac5c15eab77dc944203f025f [1,1,0,0,0,0|1,0,0]=3 4495 B11R0.81 CCCCC(=O)OCOCCF fc55082c71c8f0e3cdddb51d90ead405 [1,1,0,0,0,0|2,0,0]=4 4496 B11R0.81 CCCCC(=O)OCOCCS df7a84fef8a135f7e1b5bf5951308452 [1,1,0,0,0,0|2,0,0]=4 4497 B11R0.81 CCCCC(=O)OCOCOC b548ff67261092eea409be64a3c75113 [1,1,0,0,0,0|2,0,0]=4 4498 B11R0.81 CCCCC=CC(=O)NCCC 4a74f82ed7748f3262f04de1576686f7 [1,1,0,0,0,0|0,0,2]=4 4499 B11R0.81 CCCCCCC(=O)NCC#N 5a5547990c18290cb12901a8d3539fa4 [1,1,0,0,0,0|1,0,1]=4 4500 B11R0.81 CCCCCCC(=O)NCCBr d79aaed702952d6862f568471d9edfa5 [1,1,0,0,0,0|1,0,0]=3 4501 B11R0.81 CCCCCCC(=O)NCCC 87d8790730f902707f59eb54172a1efa [1,1,0,0,0,0|0,0,0]=2 4502 B11R0.81 CCCCCCC(=O)NCCF 3a778e51e527334d4841b17c7b1ad87a [1,1,0,0,0,0|1,0,0]=3 4503 B11R0.81 CCCCCCC(=O)NCCI 520757295254017557cf28c508dc62ed [1,1,0,0,0,0|1,0,0]=3 4504 B11R0.81 CCCCCCC(=O)NCCO f49bad3fe55d361225eacdb6b24aebd1 [1,1,0,0,0,0|1,0,0]=3 4505 B11R0.81 CCCCCCC(=O)NCCS 9c8c9533bc6d8ec6506ca7c240541ac4 [1,1,0,0,0,0|1,0,0]=3 4506 B11R0.81 CCCCCCC(C)COCC 77f334f632b571e05de48ea67149c2d4 [1,1,0,0,0,0|1,0,1]=4 4507 B11R0.81 CCCCCCC(C)NCCC 673986824879f3e79ccf765f60ced912 [1,1,0,0,0,0|1,0,1]=4 4508 B11R0.81 CCCCCCC(C)OCCC ba224077acd3b740d8e3fb9b4d425b85 [1,1,0,0,0,0|1,0,1]=4 4509 B11R0.81 CCCCCCN(C)CCCC 68edc7b90c1a605cb81ae90468df06f8 [1,1,0,0,0,0|2,0,0]=4 4510 B11R0.81 CCCCCCN(C)CCCF 583474e4b7560d3427b50323904bfdf4 [1,1,0,0,0,0|2,0,0]=4 4511 B11R0.81 CCCCCCN(C)CCCO 2aef5358383be552dd30ac8ca9e5f873 [1,1,0,0,0,0|2,0,0]=4 4512 B11R0.81 CCCCCCN(C)CCCS 37c2fe9c9b56afed7f06f42013189e6a [1,1,0,0,0,0|2,0,0]=4 4513 B11R0.81 CCCCCCN(C)CCOC aee48fbcbffa16ff63420a04725f1cc8 [1,1,0,0,0,0|2,0,0]=4 4514 B11R0.81 CCCCCCN(C)CCSC c3dbb3b0530a270c42e2199568426497 [1,1,0,0,0,0|2,0,0]=4 4515 B11R0.81 CCCCCCN(C)COCC 4256dc792678229268def9256538aa89 [1,1,0,0,0,0|2,0,0]=4 4516 B11R0.81 CCCCCC[C@@H](C)NCCC 7405a222267b08859e40d01e337c8630 [1,1,0,0,0,0|1,0,1]=4 4517 B11R0.81 CCCCCC[C@@H](C)OCCC 2e5a993043dda8cbe04b4c5a7ec49973 [1,1,0,0,0,0|1,0,1]=4 4518 B11R0.81 CCCCCC[C@H](C)NCCC be780c73d2e2093087ff3f7aa1472464 [1,1,0,0,0,0|1,0,1]=4 4519 B11R0.81 CCCCCC[C@H](C)OCCC d12d50ac24407591cb230f2d190f19fa [1,1,0,0,0,0|1,0,1]=4 4520 B11R0.81 CCCCCNC(=O)CCC#N 2fe660453d24f69d43c92da00f816b29 [1,1,0,0,0,0|1,0,1]=4 4521 B11R0.81 CCCCCNC(=O)CCC=O 4e06a1300e5289e3f929fbc06dd15cac [1,1,0,0,0,0|1,0,1]=4 4522 B11R0.81 CCCCCNC(=O)CCCC a06834419102a1558a19fb3a1406cfb0 [1,1,0,0,0,0|1,0,0]=3 4523 B11R0.81 CCCCCNC(=O)CCCF cb3b728da5cd7a0af32935f0696071b9 [1,1,0,0,0,0|1,0,0]=3 4524 B11R0.81 CCCCCNC(=O)CCCS 2ce8fa8be7e233b98c683adc51803bf5 [1,1,0,0,0,0|1,0,0]=3 4525 B11R0.81 CCCCCNC(=O)CCOC 99bac40aabd096dca01631fdf32d2a4b [1,1,0,0,0,0|1,0,0]=3 4526 B11R0.81 CCCCCNC(=O)CCSC 307383e6c5c252e00e4647926ad02c1d [1,1,0,0,0,0|1,0,0]=3 4527 B11R0.81 CCCCCNC(=O)COCC 11ebeee9fef7d60698beadcb88e4cda2 [1,1,0,0,0,0|1,0,0]=3 4528 B11R0.81 CCCCCNC(=O)CSCC bf3d4e842c78e9ee2405e5f2f5ac3c0b [1,1,0,0,0,0|1,0,0]=3 4529 B11R0.81 CCCCCNC(=O)CSSC 213fed2b239e133e90d67490111e539f [1,1,0,0,0,0|2,0,0]=4 4530 B11R0.81 CCCCCNC(=O)NCCC 2fb53f51cf25e3deb1739f07400adf03 [1,1,0,0,0,0|1,0,0]=3 4531 B11R0.81 CCCCCNC(=O)NCCF 0b4c718c69a2ba3827f9360a3aa7f6de [1,1,0,0,0,0|2,0,0]=4 4532 B11R0.81 CCCCCNC(=O)NCCN 0fa5863ecf8ff824f576c603fdbab48c [1,1,0,0,0,0|2,0,0]=4 4533 B11R0.81 CCCCCNC(=O)NCCO 7bed3c4d3d74ef1f8285ffe585b1af67 [1,1,0,0,0,0|2,0,0]=4 4534 B11R0.81 CCCCCNC(=O)NCCS b0ee850c6a99c273160aae12fd772cda [1,1,0,0,0,0|2,0,0]=4 4535 B11R0.81 CCCCCNC(=S)NCCC ed0ecaf90096623a47ce63768da8393e [1,1,0,0,0,0|1,1,0]=4 4536 B11R0.81 CCCCCOC(C)CCCC c7acc1e25061124a677e93a98c4880c3 [1,1,0,0,0,0|1,0,1]=4 4537 B11R0.81 CCCCCOC(C)CCOC 3555ff59923511d754322ff7e4637c44 [1,1,0,0,0,0|1,0,1]=4 4538 B11R0.81 CCCCCOC(C)CCSC 21797afa09805aa2e8c90995e7cc52f9 [1,1,0,0,0,0|1,0,1]=4 4539 B11R0.81 CCCCCOC(C)COCC 80662504cc64bf3b17cddbdf417cd303 [1,1,0,0,0,0|1,0,1]=4 4540 B11R0.81 CCCCCO[C@@H](C)CCCC a39e9f1d5c06f929dc091d3b55f09321 [1,1,0,0,0,0|1,0,1]=4 4541 B11R0.81 CCCCCO[C@H](C)CCCC f537dfc938a1fd068dc349c4b7b77c37 [1,1,0,0,0,0|1,0,1]=4 4542 B11R0.81 CCCCNCC(=O)CCSC 85cdcea0a9b1cf078809a10dbbdf3702 [1,1,0,0,0,0|1,0,0]=3 4543 B11R0.81 CCCCNCC(=O)NCCC 1203a7b7d7c0248e84b16088ce84c2c6 [1,1,0,0,0,0|1,0,0]=3 4544 B11R0.81 CCCCNCC(=O)NCCO f6162a82353a460c1acb4c7b954ac9d7 [1,1,0,0,0,0|2,0,0]=4 4545 B11R0.81 CCCCNCC(=O)OCCC 5112f77fa578dbe165c4f7b30cf9dcd3 [1,1,0,0,0,0|1,0,0]=3 4546 B11R0.81 CCCCOCC(=O)CCSC dbd0d7739b9bd0f4e7f18e93ebf96429 [1,1,0,0,0,0|1,0,0]=3 4547 B11R0.81 CCCCOCC(=O)NCCBr 36760cee347953899875c7a6baf2be52 [1,1,0,0,0,0|2,0,0]=4 4548 B11R0.81 CCCCOCC(=O)NCCC f056b523414cfd937e64d3e95507274e [1,1,0,0,0,0|1,0,0]=3 4549 B11R0.81 CCCCOCC(=O)NCCF d0f46a978fa7f79cfc41018a3bf32e0b [1,1,0,0,0,0|2,0,0]=4 4550 B11R0.81 CCCCOCC(=O)NCCI 2e3211d82f8259a9d4b8c78d64b512dc [1,1,0,0,0,0|2,0,0]=4 4551 B11R0.81 CCCCOCC(=O)NCCO 4c155cdf47da603c7edf6d1efbf727c7 [1,1,0,0,0,0|2,0,0]=4 4552 B11R0.81 CCCCOCC(=O)NCCS 83aa5e44cc5bfb76c81802b5a9a0c183 [1,1,0,0,0,0|2,0,0]=4 4553 B11R0.81 CCCCOCC(=O)OCCC 2f30b4a3ea1d1302768c7d1388237bfc [1,1,0,0,0,0|1,0,0]=3 4554 B11R0.81 CCCCSCC(=O)NCCBr fc9d64bf7c03e9c445aa10027dc8e6c7 [1,1,0,0,0,0|2,0,0]=4 4555 B11R0.81 CCCCSCC(=O)NCCC 4848b6ae9b9a4132a6a654f6b4b01bb2 [1,1,0,0,0,0|1,0,0]=3 4556 B11R0.81 CCCCSCC(=O)NCCF 902133a83b4c8faa994eac9c4f6684dd [1,1,0,0,0,0|2,0,0]=4 4557 B11R0.81 CCCCSCC(=O)NCCI eb18eb49e32069cc62e1f34f650cee1b [1,1,0,0,0,0|2,0,0]=4 4558 B11R0.81 CCCCSCC(=O)NCCO 12a0aa7a7d1ee3df0aa8b8edb2fab1f6 [1,1,0,0,0,0|2,0,0]=4 4559 B11R0.81 CCCCSCC(=O)NCCS 9ec7fcb8e2cfcfa9a98d8bb34cf5292b [1,1,0,0,0,0|2,0,0]=4 4560 B11R0.81 CCCNC(=O)CCCCC=O f37aa498d6e7d7d0501b70b7c4a5f55f [1,1,0,0,0,0|1,0,1]=4 4561 B11R0.81 CCCNC(=O)CCCCCF baedcab883c63ad1db8337ad163f430a [1,1,0,0,0,0|1,0,0]=3 4562 B11R0.81 CCCNC(=O)CCCCCO a7c6a98522f11fc91ddc59d3a1df544e [1,1,0,0,0,0|1,0,0]=3 4563 B11R0.81 CCCNC(=O)CCCCCS 0c7dd76a2b4a4cc878012c4009f0ab59 [1,1,0,0,0,0|1,0,0]=3 4564 B11R0.81 CCCNC(=O)CCCSSC 8f8be997b177bbc4de5da7b8c40b4dcd [1,1,0,0,0,0|2,0,0]=4 4565 B11R0.81 CCCNC(=O)CCOCCC 42553a8c8b926fca8611ff8d68aeae7a [1,1,0,0,0,0|1,0,0]=3 4566 B11R0.81 CCCNC(=O)CCOCCO 094015acedcfbaf93130fb1f0360d877 [1,1,0,0,0,0|2,0,0]=4 4567 B11R0.81 CCCNC(=O)CCOCCS 5f40d2a871036b77143414aea5a78124 [1,1,0,0,0,0|2,0,0]=4 4568 B11R0.81 CCCNC(=O)CNCCCCl bd9f06e27449f883b3eb3a3de9a76ab2 [1,1,0,0,0,0|2,0,0]=4 4569 B11R0.81 CCCNC(=O)CNCCCF 7c1a6596c5c00fbcfcfab0b6145a677e [1,1,0,0,0,0|2,0,0]=4 4570 B11R0.81 CCCNC(=O)CNCCCO 669e1f58869b6d56cc18a45370f30a17 [1,1,0,0,0,0|2,0,0]=4 4571 B11R0.81 CCCNC(=O)CNCCCS 395cabad765bf5efce4b33fce5a10967 [1,1,0,0,0,0|2,0,0]=4 4572 B11R0.81 CCCNC(=O)CNCCOC 4cbfe21423d6e53e7a1013d3d7b95bb6 [1,1,0,0,0,0|2,0,0]=4 4573 B11R0.81 CCCNC(=O)CNCCSC f99a076a73f42677a85b7c126e7db9c7 [1,1,0,0,0,0|2,0,0]=4 4574 B11R0.81 CCCNC(=O)CNCOCC 41481ad7efe243bde9c9c153fd48866d [1,1,0,0,0,0|2,0,0]=4 4575 B11R0.81 CCCNC(=O)COCCCF 0000ec8366505420b7c2e6a09c2f7961 [1,1,0,0,0,0|2,0,0]=4 4576 B11R0.81 CCCNC(=O)COCCCS de63b71b0f7035966e466ae17d7a3be7 [1,1,0,0,0,0|2,0,0]=4 4577 B11R0.81 CCCNC(=O)COCCOC af33a5b5c0db067923300c8b3b6eec8e [1,1,0,0,0,0|2,0,0]=4 4578 B11R0.81 CCCNC(=O)COCCSC 059b55f6691c8ee758c6b6d54a350136 [1,1,0,0,0,0|2,0,0]=4 4579 B11R0.81 CCCNC(=O)CSCCOC dfd4f0c889bddb2e05fb752976f6468f [1,1,0,0,0,0|2,0,0]=4 4580 B11R0.81 CCCNC(=O)NCCCCN c6443e81cde3125dc7e5f758a813f88b [1,1,0,0,0,0|2,0,0]=4 4581 B11R0.81 CCCNC(=O)NCCCCO b3bc53c0ae2e58cd7b21b9f7c9d07477 [1,1,0,0,0,0|2,0,0]=4 4582 B11R0.81 CCCNC(=O)NCCCCS d3a31860c7fd41461062dfa1b06787b7 [1,1,0,0,0,0|2,0,0]=4 4583 B11R0.81 CCCNC(=O)NCCCOC 50ae98078702fa610be7540eb8edd428 [1,1,0,0,0,0|2,0,0]=4 4584 B11R0.81 CCCNC(=O)NCCCSC e117748d85d75907410464498a0a3699 [1,1,0,0,0,0|2,0,0]=4 4585 B11R0.81 CCCNC(=O)NCCOCC 80e1f0671ff882759d81829124c92ad6 [1,1,0,0,0,0|2,0,0]=4 4586 B11R0.81 CCCNC(=O)NCCSCC c2a740fdab08c6ec989b5f9aea85bf6c [1,1,0,0,0,0|2,0,0]=4 4587 B11R0.81 CCCNCOC(=O)OCCC 4d1a92bf22713f11d028be261523bf97 [1,1,0,0,0,0|1,0,0]=3 4588 B11R0.81 CCCOC(=O)CCOCCF 6c164fdc8887ca8fc141e35b4a2592cf [1,1,0,0,0,0|2,0,0]=4 4589 B11R0.81 CCCOC(=O)CCOCCS 66ab5f05d7362e8ffc709deb15e32463 [1,1,0,0,0,0|2,0,0]=4 4590 B11R0.81 CCCOC(=O)CCOCOC b084930f3f6d47464f74aca37674e143 [1,1,0,0,0,0|2,0,0]=4 4591 B11R0.81 CCCOC(=O)CCOCSC 6a6b424b4a9af61c1549e425d21a4cea [1,1,0,0,0,0|2,0,0]=4 4592 B11R0.81 CCCOC(=O)CNCCCCl e06e66b7e72050bc47a6fccb635c8907 [1,1,0,0,0,0|2,0,0]=4 4593 B11R0.81 CCCOC(=O)CNCCCO 5b111bb1ca4b68c9fade23b956b2305a [1,1,0,0,0,0|2,0,0]=4 4594 B11R0.81 CCCOC(=O)CNCCOC 2bbfe3564cc32e7effe8c91738a8c149 [1,1,0,0,0,0|2,0,0]=4 4595 B11R0.81 CCCOC(=O)CNCCSC de7dde377f49ccddcbfd56e3a11ac930 [1,1,0,0,0,0|2,0,0]=4 4596 B11R0.81 CCCOC(=O)COCCCF 9ca752a218f7446ba1ab857544374ed1 [1,1,0,0,0,0|2,0,0]=4 4597 B11R0.81 CCCOC(=O)COCCCS ec467b7eb9b33603d2320c0156a04d36 [1,1,0,0,0,0|2,0,0]=4 4598 B11R0.81 CCCOC(=O)COCCOC ef51b9c77d5fe2c9e49043eaac4b1775 [1,1,0,0,0,0|2,0,0]=4 4599 B11R0.81 CCCOC(=O)COCCSC ed58dbd3c9afe030aafa25af7a474fbf [1,1,0,0,0,0|2,0,0]=4 4600 B11R0.81 CCCOC(=O)OCNCCBr 3e145e09984fac7454cb3aaa72ca303e [1,1,0,0,0,0|2,0,0]=4 4601 B11R0.81 CCCOC(=O)OCNCCF bf99e83ab09de5ccb3ad85278402b9fd [1,1,0,0,0,0|2,0,0]=4 4602 B11R0.81 CCCOC(=O)OCNCCI d7406295acb67b34c4f4ca1850df4bcd [1,1,0,0,0,0|2,0,0]=4 4603 B11R0.81 CCCOC(=O)OCNCCO 51ecc5a84297074ae649de7abd5cb6f4 [1,1,0,0,0,0|2,0,0]=4 4604 B11R0.81 CCCOC(=O)OCNCCS 9a6560d3ab220f9d033f4f6affb865ca [1,1,0,0,0,0|2,0,0]=4 4605 B11R0.81 CCCOC(=O)OCOCCF 8d1510b14339aa3354d2112f7e51c37b [1,1,0,0,0,0|2,0,0]=4 4606 B11R0.81 CCCOC(=O)OCOCCS ec061dc1ad214c3434a8ecd74cd12270 [1,1,0,0,0,0|2,0,0]=4 4607 B11R0.81 CCCOC(=O)OCOCOC d87c3e9f5b1d1c80c1a2dbb583aef23d [1,1,0,0,0,0|2,0,0]=4 4608 B11R0.81 CCCOCCC(=O)NCCBr ceebd061ef17bfcc61e17726c62d4413 [1,1,0,0,0,0|2,0,0]=4 4609 B11R0.81 CCCOCCC(=O)NCCF 41ebde66c79e043d15e8735c0c88abdc [1,1,0,0,0,0|2,0,0]=4 4610 B11R0.81 CCCOCCC(=O)NCCI 9ec38edeee32187bec3e4fab23b66cf6 [1,1,0,0,0,0|2,0,0]=4 4611 B11R0.81 CCCOCCC(=O)NCCO 55ebb584adce6608581830cd8e242f6c [1,1,0,0,0,0|2,0,0]=4 4612 B11R0.81 CCCOCCC(=O)NCCS dbb6d37060c484a6c1427fbc6af59f0b [1,1,0,0,0,0|2,0,0]=4 4613 B11R0.81 CCCOCCC(=O)OCCC 6ee22521ff14ec2304cdca3071c00c79 [1,1,0,0,0,0|1,0,0]=3 4614 B11R0.81 CCCOCOC(=O)OCCC 7cd19f7197089ff3a04837dd12236c27 [1,1,0,0,0,0|1,0,0]=3 4615 B11R0.81 CCOCC(=O)NCCCCCl 6b242c57133a334777c58492eae9429a [1,1,0,0,0,0|2,0,0]=4 4616 B11R0.81 CCOCC(=O)NCCCCO d71689d4b341333827c7f2a7356f4d5b [1,1,0,0,0,0|2,0,0]=4 4617 B11R0.81 CCOCC(=O)NCCCCS f6722bd841ef8213860ab15b0ed3bf21 [1,1,0,0,0,0|2,0,0]=4 4618 B11R0.81 CCOCC(=O)NCCCOC 4633d3ef9839416b0fc3d4c31079fd0c [1,1,0,0,0,0|2,0,0]=4 4619 B11R0.81 CCOCC(=O)NCCCSC 5ba31a84767d6d1cb079283943117797 [1,1,0,0,0,0|2,0,0]=4 4620 B11R0.81 CCOCC(=O)NCCSCC dc2db358571e9ce17f4f7e3af62ea85f [1,1,0,0,0,0|2,0,0]=4 4621 B11R0.81 CCOCCNC(=O)CCCF 143244bf937b80e80b1012bf493a68c2 [1,1,0,0,0,0|2,0,0]=4 4622 B11R0.81 CCOCCNC(=O)CCCS 19665b86e7c7d0a3fb523bfbe3572199 [1,1,0,0,0,0|2,0,0]=4 4623 B11R0.81 CCOCCNC(=O)CCOC ac2e4792b39278e1be00015aba1c14ba [1,1,0,0,0,0|2,0,0]=4 4624 B11R0.81 CCOCCNC(=O)CCSC e921116d3831e309cf43a8831d286efa [1,1,0,0,0,0|2,0,0]=4 4625 B11R0.81 CCOCCNC(=O)COCC ccff2589632a0830014f62e4f65641f2 [1,1,0,0,0,0|2,0,0]=4 4626 B11R0.81 CCOCCNC(=O)CSCC ad5aa08f7211c115983356636b1745f4 [1,1,0,0,0,0|2,0,0]=4 4627 B11R0.81 CCSCC(=O)NCCCCCl 246a6e7c28dc82bf58124d553780fced [1,1,0,0,0,0|2,0,0]=4 4628 B11R0.81 CCSCC(=O)NCCCCO 5aee1709f84853436d1a76d4be86f309 [1,1,0,0,0,0|2,0,0]=4 4629 B11R0.81 CCSCC(=O)NCCCCS 24bc9424e35686c197f716b0efff2eb1 [1,1,0,0,0,0|2,0,0]=4 4630 B11R0.81 CCSCC(=O)NCCCOC 05c43d7cb671f109b6b19907a81060ff [1,1,0,0,0,0|2,0,0]=4 4631 B11R0.81 CCSCC(=O)NCCCSC 965f6fff977fde4ed0da89387e356f05 [1,1,0,0,0,0|2,0,0]=4 4632 B11R0.81 CCSCCNC(=O)CCCF 27a5d2edf7fbd02ff957d5e4ca1b276f [1,1,0,0,0,0|2,0,0]=4 4633 B11R0.81 CCSCCNC(=O)CCCS d71a7511e56051353f5f76d32534489f [1,1,0,0,0,0|2,0,0]=4 4634 B11R0.81 CCSCCNC(=O)CCOC 43174eb7b6b512a7d0afbe0b9f344a65 [1,1,0,0,0,0|2,0,0]=4 4635 B11R0.81 CCSCCNC(=O)CCSC 4dce0d397f7e5f7bb9ff360e55b32e5e [1,1,0,0,0,0|2,0,0]=4 4636 B11R0.81 CCSCCNC(=O)CSCC 618931eb3238ccd09997ba70bf359774 [1,1,0,0,0,0|2,0,0]=4 4637 B11R0.81 COCCC(=O)NCCCCCl fa66e0b355b29716ed9ecfda5f87d98a [1,1,0,0,0,0|2,0,0]=4 4638 B11R0.81 COCCC(=O)NCCCCO daa4a244695bc10ddab6adc5fc18e997 [1,1,0,0,0,0|2,0,0]=4 4639 B11R0.81 COCCC(=O)NCCCCS bac386b0d813fa61a81f3ecae28d0a64 [1,1,0,0,0,0|2,0,0]=4 4640 B11R0.81 COCCC(=O)NCCCSC 8fd445ba13081a0d2c2426e57760d0ba [1,1,0,0,0,0|2,0,0]=4 4641 B11R0.81 COCCCNC(=O)CCCF 2c531f69f62fc577656d9984208b0e22 [1,1,0,0,0,0|2,0,0]=4 4642 B11R0.81 COCCCNC(=O)CCCS 7fcfa201737bfc760d0b905122df9d90 [1,1,0,0,0,0|2,0,0]=4 4643 B11R0.81 COCCCNC(=O)CCOC 0d851eba3b5b9a8db5c33d4c3292d86c [1,1,0,0,0,0|2,0,0]=4 4644 B11R0.81 COCCCNC(=O)CCSC bd256f537cf5b60a44ed5d07cd5d7f53 [1,1,0,0,0,0|2,0,0]=4 4645 B11R0.81 COCCNCC(=O)CCSC 5be4eb7720dabc43c193d5d4bbc19b3b [1,1,0,0,0,0|2,0,0]=4 4646 B11R0.81 COCCOCC(=O)CCSC bf443902e1b236552ef3f67d8fe6d8d2 [1,1,0,0,0,0|2,0,0]=4 4647 B11R0.81 CSCCC(=O)CNCCCCl dd1ae7240fd1dd4e7f54014aa4723b17 [1,1,0,0,0,0|2,0,0]=4 4648 B11R0.81 CSCCC(=O)CNCCCO e9b4b7fac7f00960c612d25a105b89ea [1,1,0,0,0,0|2,0,0]=4 4649 B11R0.81 CSCCC(=O)COCCCF 6987f6fc8904dd5119a0ef8b37b5c10b [1,1,0,0,0,0|2,0,0]=4 4650 B11R0.81 CSCCC(=O)COCCCS cdac7e787767a3913cf911e7f14dbf0d [1,1,0,0,0,0|2,0,0]=4 4651 B11R0.81 CSCCC(=O)NCCCCCl e31fc2f29c10b7ed2ed8afda323e677e [1,1,0,0,0,0|2,0,0]=4 4652 B11R0.81 CSCCC(=O)NCCCCO a953872b286eb5b4d6a71a9d0a155648 [1,1,0,0,0,0|2,0,0]=4 4653 B11R0.81 CSCCC(=O)NCCCCS 23e734bd7232ee8ac3124e1dff91694c [1,1,0,0,0,0|2,0,0]=4 4654 B11R0.81 CSCCCNC(=O)CCCF 800860f237cabd272e2c8031ce8a4a65 [1,1,0,0,0,0|2,0,0]=4 4655 B11R0.81 CSCCCNC(=O)CCCS a9a8210d9fcb03a0870a9228f1e707af [1,1,0,0,0,0|2,0,0]=4 4656 B11R0.81 CSCCCNC(=O)CCSC 24992b0fd6036b5e47ab1e4f6ef55d39 [1,1,0,0,0,0|2,0,0]=4 4657 B11R0.81 CSCCNCC(=O)CCSC 3fc20948f98e02d1836f75a6d80432d8 [1,1,0,0,0,0|2,0,0]=4 4658 B11R0.81 CSCCOCC(=O)CCSC 5a133529456a1b1b3e7528e917dbbd7c [1,1,0,0,0,0|2,0,0]=4 4659 B11R0.81 O=C(CCCCCF)NCCBr 8751d11b09a34136ffccc132e4c0d1e0 [1,1,0,0,0,0|2,0,0]=4 4660 B11R0.81 O=C(CCCCCF)NCCF 17498c23ec8082330daece5a4ba27aaf [1,1,0,0,0,0|2,0,0]=4 4661 B11R0.81 O=C(CCCCCF)NCCI ec57eb76c961521d0a84ef9e2f37d204 [1,1,0,0,0,0|2,0,0]=4 4662 B11R0.81 O=C(CCCCCF)NCCO a6b2e4d0a25eb301cb1af993e86e54a1 [1,1,0,0,0,0|2,0,0]=4 4663 B11R0.81 O=C(CCCCCF)NCCS 4b3f5dc5836aa35f7d7d2716d84e4426 [1,1,0,0,0,0|2,0,0]=4 4664 B11R0.81 O=C(CCCCCO)NCCBr 704ebe78e977a00f48c027ec07ffcd4a [1,1,0,0,0,0|2,0,0]=4 4665 B11R0.81 O=C(CCCCCO)NCCF 54d69f2dc2b2af65be0ddaa976883c73 [1,1,0,0,0,0|2,0,0]=4 4666 B11R0.81 O=C(CCCCCO)NCCI 2651ff58468fdc9c1833d602d182571b [1,1,0,0,0,0|2,0,0]=4 4667 B11R0.81 O=C(CCCCCO)NCCO c078daec7d9e5708816806003dfc6cfe [1,1,0,0,0,0|2,0,0]=4 4668 B11R0.81 O=C(CCCCCO)NCCS 96315123b21bd68ceb104c5965b3e411 [1,1,0,0,0,0|2,0,0]=4 4669 B11R0.81 O=C(CCCCCS)NCCBr ac072fe90b5f32df3f590db3abe50e43 [1,1,0,0,0,0|2,0,0]=4 4670 B11R0.81 O=C(CCCCCS)NCCF b0c3139a3ac88a7d1cef649196198b49 [1,1,0,0,0,0|2,0,0]=4 4671 B11R0.81 O=C(CCCCCS)NCCI 8cedde78026096d0a6a276a7aa25baa7 [1,1,0,0,0,0|2,0,0]=4 4672 B11R0.81 O=C(CCCCCS)NCCO 4421a54cfacceae52214a7abecc953e9 [1,1,0,0,0,0|2,0,0]=4 4673 B11R0.81 O=C(CCCCCS)NCCS bba35b924266de4b1f08a631536d56f6 [1,1,0,0,0,0|2,0,0]=4 4674 B11R0.81 O=C(CCCF)NCCCCCl 1f3ca6e61f6cbcdcedd9ca90bb37acfe [1,1,0,0,0,0|2,0,0]=4 4675 B11R0.81 O=C(CCCF)NCCCCO 3a667fbe15ddf93ad0ffdcade58dd1ae [1,1,0,0,0,0|2,0,0]=4 4676 B11R0.81 O=C(CCCF)NCCCCS e020cc73e10fd8bef71392a8dfe68c04 [1,1,0,0,0,0|2,0,0]=4 4677 B11R0.81 O=C(CCCS)NCCCCCl 32b280fb16e53639f9558a99d6a32d6f [1,1,0,0,0,0|2,0,0]=4 4678 B11R0.81 O=C(CCCS)NCCCCO 67ef06b7998e6d353837784fecda60c4 [1,1,0,0,0,0|2,0,0]=4 4679 B11R0.81 O=C(CCCS)NCCCCS ad4090d0613a51cc87b2e819db1232d7 [1,1,0,0,0,0|2,0,0]=4 4680 B11R0.142 C=C(CC)C(=O)NCCCCC 45757adefcca27d80670aff2e3ae589b [1,1,0,0,0,0|1,0,1]=4 4681 B11R0.142 CCC(C)C(=O)CNCCCCl 189e0c7c11c1af78c1fa234d9fb0fe3f [1,1,0,0,0,0|2,0,0]=4 4682 B11R0.142 CCC(C)C(=O)CNCCCO 9c9d08d7035394b3744928ed0be22c80 [1,1,0,0,0,0|2,0,0]=4 4683 B11R0.142 CCC(C)C(=O)CNCCOC 7344251deb4a562dc16254e671551ca4 [1,1,0,0,0,0|2,0,0]=4 4684 B11R0.142 CCC(C)C(=O)CNCCSC 53941cd989a2eb607526d9fe1541568d [1,1,0,0,0,0|2,0,0]=4 4685 B11R0.142 CCC(C)C(=O)COCCCF c664669e0850df66d13ce537f05ce02e [1,1,0,0,0,0|2,0,0]=4 4686 B11R0.142 CCC(C)C(=O)COCCCS c7e98c2e677a0e42ec5ba20dad8d695a [1,1,0,0,0,0|2,0,0]=4 4687 B11R0.142 CCC(C)C(=O)COCCOC 8be803a225e92820962aa5d12baa1303 [1,1,0,0,0,0|2,0,0]=4 4688 B11R0.142 CCC(C)C(=O)COCCSC 7400b7d9ca088c9216c1ac41130b9654 [1,1,0,0,0,0|2,0,0]=4 4689 B11R0.142 CCC(O)C(=O)NCCCCCl 60a2d781f3761e51596417e5ac0312fb [1,1,0,0,0,0|2,0,0]=4 4690 B11R0.142 CCC(O)C(=O)NCCCCO 0353adbe7d0cdf28402b1fceaf0bf707 [1,1,0,0,0,0|2,0,0]=4 4691 B11R0.142 CCC(O)C(=O)NCCCCS bc6f1efc55eaf5e589a1714e3e09cd90 [1,1,0,0,0,0|2,0,0]=4 4692 B11R0.142 CCC(O)C(=O)NCCCOC 6cf49a328f20525cdc30b4fb1219845c [1,1,0,0,0,0|2,0,0]=4 4693 B11R0.142 CCC(O)C(=O)NCCCSC 934b5173fc35df12522b4ccf65cc993d [1,1,0,0,0,0|2,0,0]=4 4694 B11R0.142 CCCCCCC(=O)N(C)CC f37ad7c9584108c650a8069f1c38aed9 [1,1,0,0,0,0|1,0,0]=3 4695 B11R0.142 CCCCCCN(C)C(C)CC 946ab3903107d1fdaaac2204479ddf05 [1,1,0,0,0,0|2,0,0]=4 4696 B11R0.142 CCCCCNC(=O)C(=O)CC 57b5d06cb5cb0aeeb53131d1de420ac6 [1,1,0,0,0,0|1,0,1]=4 4697 B11R0.142 CCCCCNC(=O)C(C)OC 3b743d5f43ba31ac88e09d744d77e168 [1,1,0,0,0,0|2,0,0]=4 4698 B11R0.142 CCCCCNC(=O)C(C)SC e73f7a241445ec1f08f92970b4436198 [1,1,0,0,0,0|2,0,0]=4 4699 B11R0.142 CCCCCNC(=O)C(O)CC 21183fd884d39603cb719fdbecbc4633 [1,1,0,0,0,0|1,0,0]=3 4700 B11R0.142 CCCCCNC(=O)C(O)CO 42055ec4952f0bea72123f1ae7a8fe6c [1,1,0,0,0,0|2,0,0]=4 4701 B11R0.142 CCCCCNC(=O)N(C)CC 6192a3d7a1423f9774ad184bf83c1309 [1,1,0,0,0,0|2,0,0]=4 4702 B11R0.142 CCCCCNC(=O)[C@@H](C)OC 8e20072134501bc40345f0e82b826843 [1,1,0,0,0,0|2,0,0]=4 4703 B11R0.142 CCCCCNC(=O)[C@@H](O)CC 97180f2a7c742a9531384571b2698814 [1,1,0,0,0,0|1,0,0]=3 4704 B11R0.142 CCCCCNC(=O)[C@@H](O)CO 137b1afbc94105fa41f5d68da8b7add0 [1,1,0,0,0,0|2,0,0]=4 4705 B11R0.142 CCCCCNC(=O)[C@@H](S)CC 247195dcf6a85e69c6026cceff638d19 [1,1,0,0,0,0|1,0,0]=3 4706 B11R0.142 CCCCCNC(=O)[C@H](C)OC 0f305d49803f2972c6e4f0726a100d9f [1,1,0,0,0,0|2,0,0]=4 4707 B11R0.142 CCCCCNC(=O)[C@H](O)CC 12b674743e61cba5d7a335a161d32295 [1,1,0,0,0,0|1,0,0]=3 4708 B11R0.142 CCCCCNC(=O)[C@H](O)CF 1051a057518c7adca149592c632433a4 [1,1,0,0,0,0|2,0,0]=4 4709 B11R0.142 CCCCCOC(C)C(C)CC 0c8824b2e9ed5d75ec84a045e18bcc8e [1,1,0,0,0,0|1,0,1]=4 4710 B11R0.142 CCCCNCC(=O)C(C)CC 4b8362f5fe45d4c24210602e373bdc0e [1,1,0,0,0,0|1,0,0]=3 4711 B11R0.142 CCCCNCC(=O)N(C)CC 4238a409d384d68da9054f3604248cd5 [1,1,0,0,0,0|2,0,0]=4 4712 B11R0.142 CCCCOCC(=O)C(C)CC 569eaf058a3b83f4ded44f4b850c817f [1,1,0,0,0,0|1,0,0]=3 4713 B11R0.142 CCCCOCC(=O)N(C)CC b7ee6fd7e31ee0abfe8ea74be0db3634 [1,1,0,0,0,0|2,0,0]=4 4714 B11R0.142 CCCCSCC(=O)N(C)CC b0dd48b34154c900079211eba8c465d6 [1,1,0,0,0,0|2,0,0]=4 4715 B11R0.142 CCCOCCC(=O)N(C)CC b839de313fdc6e160b80119d64448271 [1,1,0,0,0,0|2,0,0]=4 4716 B11R0.142 CCN(C)C(=O)CCCCCF 4f3d2984e16e0a7f8c456dd807c62b28 [1,1,0,0,0,0|2,0,0]=4 4717 B11R0.142 CCN(C)C(=O)CCCCCO b52da02f4fdaddabce2dc8388f6c6c91 [1,1,0,0,0,0|2,0,0]=4 4718 B11R0.142 CCN(C)C(=O)CCCCCS d7869013bbd95bfc68e20164be94f0fd [1,1,0,0,0,0|2,0,0]=4 4719 B11R0.142 CCOCCNC(=O)C(O)CC 6983d019b0c80d30d2deaf6c80cd0b51 [1,1,0,0,0,0|2,0,0]=4 4720 B11R0.142 CCOCCNC(=O)[C@@H](O)CC 6260dc75d7f6ff2bf0bcf13abdbb968b [1,1,0,0,0,0|2,0,0]=4 4721 B11R0.142 CCOCCNC(=O)[C@@H](S)CC a0b67b9f1f2e20248d3ec448813e788e [1,1,0,0,0,0|2,0,0]=4 4722 B11R0.142 CCOCCNC(=O)[C@H](O)CC 54f6644b61a551b2b3a9538d71e048fe [1,1,0,0,0,0|2,0,0]=4 4723 B11R0.142 CCSCCNC(=O)C(O)CC 889db32b39034530a2dc32a55872a69a [1,1,0,0,0,0|2,0,0]=4 4724 B11R0.142 CCSCCNC(=O)[C@@H](O)CC 88b856c02c6b52c0983a2189b4cc5dd4 [1,1,0,0,0,0|2,0,0]=4 4725 B11R0.142 CCSCCNC(=O)[C@@H](S)CC a8b19f96fe38dc8bcf1eeffa5d27841c [1,1,0,0,0,0|2,0,0]=4 4726 B11R0.142 CCSCCNC(=O)[C@H](O)CC f7896de571d46b3a2d97cb183f694162 [1,1,0,0,0,0|2,0,0]=4 4727 B11R0.142 CC[C@@H](O)C(=O)NCCCCCl a8d10ba3b7ddb1cafb863853bca4b7bd [1,1,0,0,0,0|2,0,0]=4 4728 B11R0.142 CC[C@@H](O)C(=O)NCCCCO 00b49a8286fa929fef5213687686abd1 [1,1,0,0,0,0|2,0,0]=4 4729 B11R0.142 CC[C@@H](O)C(=O)NCCCCS 09f1eefc449861af09a4aba50a4f1998 [1,1,0,0,0,0|2,0,0]=4 4730 B11R0.142 CC[C@@H](O)C(=O)NCCCOC 1639a0afebdd402452ebe364c6652410 [1,1,0,0,0,0|2,0,0]=4 4731 B11R0.142 CC[C@@H](O)C(=O)NCCCSC d7ce4cff3864761e7e50bb29be998a95 [1,1,0,0,0,0|2,0,0]=4 4732 B11R0.142 CC[C@H](O)C(=O)NCCCCCl 3045b9cee1c5c22ffafa380be1eb9a86 [1,1,0,0,0,0|2,0,0]=4 4733 B11R0.142 CC[C@H](O)C(=O)NCCCCO 29d1101c3011db9eed053a140451d8bb [1,1,0,0,0,0|2,0,0]=4 4734 B11R0.142 CC[C@H](O)C(=O)NCCCCS cf2a0bb52e34cfe155cdb6701e55ea94 [1,1,0,0,0,0|2,0,0]=4 4735 B11R0.142 CC[C@H](O)C(=O)NCCCOC 02e38f8912c581dcef2d069da8bb51e8 [1,1,0,0,0,0|2,0,0]=4 4736 B11R0.142 CC[C@H](O)C(=O)NCCCSC 49aff10ab13934e79915b0f45c020d22 [1,1,0,0,0,0|2,0,0]=4 4737 B11R0.142 CC[C@H](S)C(=O)NCCCCCl 5550e24e5acfc6e49f8985daa9bcef81 [1,1,0,0,0,0|2,0,0]=4 4738 B11R0.142 CC[C@H](S)C(=O)NCCCCO 2a6334c13be225a063e10081d3154b10 [1,1,0,0,0,0|2,0,0]=4 4739 B11R0.142 CC[C@H](S)C(=O)NCCCCS dcbdea2ffc04f1d2a12a23924febc97b [1,1,0,0,0,0|2,0,0]=4 4740 B11R0.142 CC[C@H](S)C(=O)NCCCOC 30aea3a3685094b67edb7ca6a231f234 [1,1,0,0,0,0|2,0,0]=4 4741 B11R0.142 CC[C@H](S)C(=O)NCCCSC 06cbda2e0dc32ac73b10d7c70de6e8fd [1,1,0,0,0,0|2,0,0]=4 4742 B11R0.155 CCCC(=O)N(C)CCCCO 2264f20602147b18b25c4bae23d43ce7 [1,1,0,0,0,0|2,0,0]=4 4743 B11R0.155 CCCC(=O)N(C)CCCOC ca6ddc87898964380d534be3c3e8f289 [1,1,0,0,0,0|2,0,0]=4 4744 B11R0.155 CCCC(=O)N(C)CCOCC db00de519d1de829c327f6faf2225a0c [1,1,0,0,0,0|2,0,0]=4 4745 B11R0.155 CCCCCC(C)N(C)CCC 25324ed71c87513310a1cd3237e9798e [1,1,0,0,0,0|2,0,0]=4 4746 B11R0.155 CCCCCN(C)C(=O)CCC f69c208eb29980023e139971dcc14c2a [1,1,0,0,0,0|1,0,0]=3 4747 B11R0.155 CCCCCN(C)C(=O)CCF ea9306df801c4f2e5fabd77f71ebfa33 [1,1,0,0,0,0|2,0,0]=4 4748 B11R0.155 CCCCCN(C)C(=O)CCO f689e77438f2ee9658b8783bc6dd554c [1,1,0,0,0,0|2,0,0]=4 4749 B11R0.155 CCCCCN(C)C(=O)CCS b46f47e11b0f9247ec5c4a142524cf9e [1,1,0,0,0,0|2,0,0]=4 4750 B11R0.155 CCCCCN(C)C(=O)COC 485625bbc3daa71c129b6eb8523586a8 [1,1,0,0,0,0|2,0,0]=4 4751 B11R0.155 CCCCCN(C)C(=O)CSC e215d611c77e96fb7d7097dbbda1b1e7 [1,1,0,0,0,0|2,0,0]=4 4752 B11R0.155 CCCCC[C@H](C)N(C)CCC b092f8147c516893fab842fcd121d6eb [1,1,0,0,0,0|2,0,0]=4 4753 B11R0.155 CCCCNC(=O)C(=O)CCC e6c5a3b9f2b52c40c8aa3aeabed5b416 [1,1,0,0,0,0|1,0,1]=4 4754 B11R0.155 CCCCNC(C)C(=O)NCC 25ede7ed1115d29044d246b13c012665 [1,1,0,0,0,0|2,0,0]=4 4755 B11R0.155 CCCCNC(C)C(=O)OCC 27af75240eb222adea8217305b21c51b [1,1,0,0,0,0|2,0,0]=4 4756 B11R0.155 CCCCNC(F)C(=O)OCC cbb807366c8271c89bf86ba45f8377d5 [1,1,0,0,0,0|2,0,0]=4 4757 B11R0.155 CCCCN[C@@H](C)C(=O)NCC a199182d551b45b3fde818ba43731bf0 [1,1,0,0,0,0|2,0,0]=4 4758 B11R0.155 CCCCN[C@@H](C)C(=O)OCC 0390b6bec150aae098e56d72342e2ab5 [1,1,0,0,0,0|2,0,0]=4 4759 B11R0.155 CCCCN[C@H](C)C(=O)OCC f67ac1c32543409fe1bcd146334bcbd6 [1,1,0,0,0,0|2,0,0]=4 4760 B11R0.155 CCCCOC(C)C(=O)NCC c61fa4a615c516c3363f1277f54e6ddd [1,1,0,0,0,0|2,0,0]=4 4761 B11R0.155 CCCCOC(C)C(=O)OCC 32fec4c2f5eb0ee354067915f63330a4 [1,1,0,0,0,0|2,0,0]=4 4762 B11R0.155 CCCCOC(F)C(=O)OCC c5b6a6f493ca1a347bfcca5c59811892 [1,1,0,0,0,0|2,0,0]=4 4763 B11R0.155 CCCCO[C@@H](C)C(=O)OCC 5e71c937499181f8c4615a2661d9385e [1,1,0,0,0,0|2,0,0]=4 4764 B11R0.155 CCCCO[C@H](C)C(=O)OCC 35add22490bf98674657b7331e8a0ce2 [1,1,0,0,0,0|2,0,0]=4 4765 B11R0.155 CCCNCC(C)C(=O)OCC 3544eda917d3f670b876734cc8040ed2 [1,1,0,0,0,0|2,0,0]=4 4766 B11R0.155 CCCNCC(O)C(=O)OCC a6dfe2f7e9169812dac058df308a7496 [1,1,0,0,0,0|2,0,0]=4 4767 B11R0.155 CCCOCC(C)C(=O)OCC aa8153ab2970b3d6980f7ec85c3b60b9 [1,1,0,0,0,0|2,0,0]=4 4768 B11R0.161 C#CC(CCC)OCCCCC 498b228b33c4c14ae4eeeaf4ffbb7592 [1,1,0,0,0,0|1,0,1]=4 4769 B11R0.161 C=CC(CCC)OCCCCC 21da9d389ae3af4833ffe07d46baf097 [1,1,0,0,0,0|1,0,1]=4 4770 B11R0.161 CCCCCCN(CC)CCC 7059fabf20117bf2c3c270574369e53e [1,1,0,0,0,0|2,0,0]=4 4771 B11R0.161 CCCCCOC(C#N)CCC ee8f86062f0538ad0b3eaeccd25832bd [1,1,0,0,0,0|1,0,1]=4 4772 B11R0.161 CCCCCOC(CC)CCC f2da7427ed2a47ce91f00b2db766932d [1,1,0,0,0,0|1,0,1]=4 4773 B11R0.161 CCCCCO[C@H](CC)CCC 57aa42fe795141b0c2fc44debe0cecbe [1,1,0,0,0,0|1,0,1]=4 4774 B11R0.174 CCC(C)CCNC(=O)CCF 0899de14838b129c34eeb532b36dfedb [1,1,0,0,0,0|2,0,0]=4 4775 B11R0.174 CCC(C)CCNC(=O)CCO 5803835e5829b884f4e2b83075f8f017 [1,1,0,0,0,0|2,0,0]=4 4776 B11R0.174 CCC(C)CCNC(=O)CCS 09ffeb8dfc3d54a0d7e2c60650a4b119 [1,1,0,0,0,0|2,0,0]=4 4777 B11R0.174 CCC(C)CCNC(=O)COC 63603d217ef71739399a79818f1a97fb [1,1,0,0,0,0|2,0,0]=4 4778 B11R0.174 CCC(C)CCNC(=O)CSC e442634dab13bc564a34753ee544e510 [1,1,0,0,0,0|2,0,0]=4 4779 B11R0.174 CCC(C)CNCC(=O)COC 558d8a9bafc902a0dca311e20261784c [1,1,0,0,0,0|2,0,0]=4 4780 B11R0.174 CCC(C)COCC(=O)COC fb22baab399b50b1cd26dbe4c849a82b [1,1,0,0,0,0|2,0,0]=4 4781 B11R0.174 CCC(O)CNCC(=O)COC 51a9e41662ec270136c5a181d3c53abb [1,1,0,0,0,0|2,0,0]=4 4782 B11R0.174 CCCC(=O)CNCC(Br)CBr 54e07c4e09afdd0009808c4f65f25fca [1,1,0,0,0,0|2,0,0]=4 4783 B11R0.174 CCCC(=O)CNCC(C)CC c8647cfe415dd381af3811782873197c [1,1,0,0,0,0|1,0,0]=3 4784 B11R0.174 CCCC(=O)CNCC(C)CO 53aedab1873672eeda356b387cc5860a [1,1,0,0,0,0|2,0,0]=4 4785 B11R0.174 CCCC(=O)CNCC(F)CO 567619b69586d7dcef196e1b1f157e12 [1,1,0,0,0,0|2,0,0]=4 4786 B11R0.174 CCCC(=O)CNCC(O)CC 4ff9b1bcf0643d45034fea2f1ac5a8eb [1,1,0,0,0,0|1,0,0]=3 4787 B11R0.174 CCCC(=O)CNCC(O)CO 2253c4fe418468da92fc956cc714a0ea [1,1,0,0,0,0|2,0,0]=4 4788 B11R0.174 CCCC(=O)CNC[C@@H](C)CC 38e8ff0ca0ff2148b106d2a9a7604485 [1,1,0,0,0,0|1,0,0]=3 4789 B11R0.174 CCCC(=O)CNC[C@@H](C)OC f8f677c36400c0be3cbc7d57a0c0481b [1,1,0,0,0,0|2,0,0]=4 4790 B11R0.174 CCCC(=O)CNC[C@@H](F)CO 6652f9600c1ef973f528b31b9883f317 [1,1,0,0,0,0|2,0,0]=4 4791 B11R0.174 CCCC(=O)CNC[C@@H](O)CO d33ed526f57b6d842ebd1def7630498f [1,1,0,0,0,0|2,0,0]=4 4792 B11R0.174 CCCC(=O)CNC[C@H](C)CO 1f154e7a6a571099e79dd179178f2c16 [1,1,0,0,0,0|2,0,0]=4 4793 B11R0.174 CCCC(=O)CNC[C@H](C)OC 3d2c5ea61b8daada2f26d0e5281ffe54 [1,1,0,0,0,0|2,0,0]=4 4794 B11R0.174 CCCC(=O)CNC[C@H](F)CO cd974243bc7699ef74d8a81c5a6b4d20 [1,1,0,0,0,0|2,0,0]=4 4795 B11R0.174 CCCC(=O)CNC[C@H](O)CC 345b99b27a4bf75b4e3a8995dc5eb90f [1,1,0,0,0,0|1,0,0]=3 4796 B11R0.174 CCCC(=O)CNC[C@H](O)CO 7274ae55fb342e92303f4e5773a92fc1 [1,1,0,0,0,0|2,0,0]=4 4797 B11R0.174 CCCC(=O)COCC(=O)CC 91dc256878eb6cf16348b6d554bcdbd9 [1,1,0,0,0,0|1,0,1]=4 4798 B11R0.174 CCCC(=O)COCC(Br)CBr c6dc7569c26ebaf40f77e8611cccf343 [1,1,0,0,0,0|2,0,0]=4 4799 B11R0.174 CCCC(=O)COCC(C)CC acb7474c15c4a60204d2154914eda3de [1,1,0,0,0,0|1,0,0]=3 4800 B11R0.174 CCCC(=O)COCC(C)OC a74d14b17ff3e22d206c686423cd240f [1,1,0,0,0,0|2,0,0]=4 4801 B11R0.174 CCCC(=O)COCC(Cl)CCl 2347d4cb55ae0365cb6ba3a3c9c9e98f [1,1,0,0,0,0|2,0,0]=4 4802 B11R0.174 CCCC(=O)COCC(S)CS c89a850a2f105e214ddd999fd4fb15b2 [1,1,0,0,0,0|2,0,0]=4 4803 B11R0.174 CCCC(=O)COC[C@@H](C)CC 5984d5295e7bbcdfa155dd5bd305dc0e [1,1,0,0,0,0|1,0,0]=3 4804 B11R0.174 CCCC(=O)COC[C@@H](C)OC 800b629fc8c8fa3196bbe58c3b683cb2 [1,1,0,0,0,0|2,0,0]=4 4805 B11R0.174 CCCC(=O)COC[C@H](C)CC 6edce6e0b94ba6bb9cff5b8a785d8ad8 [1,1,0,0,0,0|1,0,0]=3 4806 B11R0.174 CCCC(=O)COC[C@H](C)OC 54585352bc00b72157b92bd92c9e2dc4 [1,1,0,0,0,0|2,0,0]=4 4807 B11R0.174 CCCC(=O)NCCC(C)CC 79808c5a5da21586a7f0cddccceb82d2 [1,1,0,0,0,0|1,0,0]=3 4808 B11R0.174 CCCC(=O)NCCC(C)CO 5580741a653cea89bff2f615f8a2b4f2 [1,1,0,0,0,0|2,0,0]=4 4809 B11R0.174 CCCC(=O)NCCC(O)CO 211eb0bab66a0c879404742b82c6ef0f [1,1,0,0,0,0|2,0,0]=4 4810 B11R0.174 CCCC(=O)NCC[C@@H](C)CO 0caef6e5887d044d434d243e4fc80097 [1,1,0,0,0,0|2,0,0]=4 4811 B11R0.174 CCCC(=O)OCNC(C)CO 3cb8aa3011f3cf363d33fc5ea9c40197 [1,1,0,0,0,0|2,0,0]=4 4812 B11R0.174 CCCC(=O)OCN[C@@H](C)CO bc3b9f0a10c829dd7617057f60709418 [1,1,0,0,0,0|2,0,0]=4 4813 B11R0.174 CCCC(=O)OCN[C@H](C)CO 677a400e6a5aef49dab8ef491c8bd045 [1,1,0,0,0,0|2,0,0]=4 4814 B11R0.174 CCCC(=S)OCCC(C)CC 2ba61eadda133515d7485573787bb76b [1,1,0,0,0,0|0,1,0]=3 4815 B11R0.174 CCCC(=S)OCCS(=O)CC 2b06843b6c87c654bbe5e4424f1b7bfe [1,1,0,0,0,0|1,1,0]=4 4816 B11R0.174 CCCC(C)OCCC(C)CC cb1e2f71cd4d4a326ccf8e8235e33fb3 [1,1,0,0,0,0|1,0,1]=4 4817 B11R0.174 CCCC(C)OCCC(S)CC 178b306c97c0346eca6aa6dd3d7fe92d [1,1,0,0,0,0|1,0,1]=4 4818 B11R0.174 CCCC(C)OCC[C@@H](C)CC dd5856b698906328b17c13f69dcf3c76 [1,1,0,0,0,0|1,0,1]=4 4819 B11R0.174 CCC[C@@H](C)OCCC(C)CC a598b663b82007047618842b3046713a [1,1,0,0,0,0|1,0,1]=4 4820 B11R0.174 CCC[C@H](C)OCCC(C)CC d77460a82da907488443403260accfdf [1,1,0,0,0,0|1,0,1]=4 4821 B11R0.174 CCNC(=O)CCNC(C)CC 2b971ac44a61492f42e6cd0910c8447d [1,1,0,0,0,0|2,0,0]=4 4822 B11R0.174 CCNC(=O)CCN[C@@H](C)CC 30e0d821ea90d6a3ffb06ffeb2362ff6 [1,1,0,0,0,0|2,0,0]=4 4823 B11R0.174 CCNC(=O)CCN[C@H](C)CC a79d7f599ad2d25484536959e48e5bf7 [1,1,0,0,0,0|2,0,0]=4 4824 B11R0.174 CCNC(=O)CCOC(C)CC 8c07164e049e564e03dd0b63114945bc [1,1,0,0,0,0|2,0,0]=4 4825 B11R0.174 CCNC(=O)CCO[C@@H](C)CC 2cc8785d36fecc215da0dd02574e2442 [1,1,0,0,0,0|2,0,0]=4 4826 B11R0.174 CCNC(=O)CCO[C@H](C)CC 3756034ea9435a8e5e1758665751aca1 [1,1,0,0,0,0|2,0,0]=4 4827 B11R0.174 CCNC(=O)CNCC(C)CC 115ef7f9fcc2e9902184af401352ae66 [1,1,0,0,0,0|2,0,0]=4 4828 B11R0.174 CCNC(=O)CNCC(O)CC 7df7c5d32842a6e72be26a3e2eb857bb [1,1,0,0,0,0|2,0,0]=4 4829 B11R0.174 CCNC(=O)CNC[C@@H](C)CC 594854b7225e1d6bc34c9624b0a0e356 [1,1,0,0,0,0|2,0,0]=4 4830 B11R0.174 CCNC(=O)CNC[C@H](C)CC fe15631490c79dc25aba274f9c00b8cb [1,1,0,0,0,0|2,0,0]=4 4831 B11R0.174 CCNC(=O)CNC[C@H](O)CC a6033a77b5eb693de4c52b4868768bab [1,1,0,0,0,0|2,0,0]=4 4832 B11R0.174 CCNC(=O)COCC(C)CC 512bf49566c7cabced69a566f53d89a4 [1,1,0,0,0,0|2,0,0]=4 4833 B11R0.174 CCNC(=O)COC[C@@H](C)CC 94e9b70c40ae836fe98db66244fb4f86 [1,1,0,0,0,0|2,0,0]=4 4834 B11R0.174 CCNC(=O)COC[C@H](C)CC 33b0e3b0457f5293ee5aa9d922c7ab12 [1,1,0,0,0,0|2,0,0]=4 4835 B11R0.174 CCOC(=O)CCCN(C)CC fc56025fed81f908bafe7b9c72ec229e [1,1,0,0,0,0|2,0,0]=4 4836 B11R0.174 CCOC(=O)CCNC(C)CC 59533b0e85bb0fa26d54baeb203c3a7b [1,1,0,0,0,0|2,0,0]=4 4837 B11R0.174 CCOC(=O)CCN[C@@H](C)CC 3d178d7c5c2511fe50354017144b2081 [1,1,0,0,0,0|2,0,0]=4 4838 B11R0.174 CCOC(=O)CCN[C@H](C)CC f7a1d8e7b0bb987fc2534c5a576ce7f7 [1,1,0,0,0,0|2,0,0]=4 4839 B11R0.174 CCOC(=O)CCOC(C)CC a38a52f391ad958208708b0bbaef4874 [1,1,0,0,0,0|2,0,0]=4 4840 B11R0.174 CCOC(=O)CCO[C@@H](C)CC 35ee7cfdcd9a935ed936938e5ec441bd [1,1,0,0,0,0|2,0,0]=4 4841 B11R0.174 CCOC(=O)CCO[C@H](C)CC 96293a69e74a3be7e1eead47dafd40dd [1,1,0,0,0,0|2,0,0]=4 4842 B11R0.174 CCOC(=O)CNCC(C)CC 15733929e10d1b9f773a9458c90b10ba [1,1,0,0,0,0|2,0,0]=4 4843 B11R0.174 CCOC(=O)CNCC(O)CC 3bab25d61d723aa0302bb3f746100edb [1,1,0,0,0,0|2,0,0]=4 4844 B11R0.174 CCOC(=O)CNC[C@@H](C)CC de3af74ee73cc70bc82efcb42b3ad43d [1,1,0,0,0,0|2,0,0]=4 4845 B11R0.174 CCOC(=O)CNC[C@H](C)CC a09db25d4e745756044b711429d27215 [1,1,0,0,0,0|2,0,0]=4 4846 B11R0.174 CCOC(=O)CNC[C@H](O)CC 9d4cb04ed54c2e1c907bd531e639bbe2 [1,1,0,0,0,0|2,0,0]=4 4847 B11R0.174 CCOC(=O)COCC(C)CC e43649abaf6b5eab31e4b498ea273dee [1,1,0,0,0,0|2,0,0]=4 4848 B11R0.174 CCOC(=O)COC[C@@H](C)CC 8cadc7324da518b412e3df9518b671a6 [1,1,0,0,0,0|2,0,0]=4 4849 B11R0.174 CCOC(=O)COC[C@H](C)CC a1fb532e5ed4def108423595527735f7 [1,1,0,0,0,0|2,0,0]=4 4850 B11R0.174 CCSC(=O)OCNC(C)CC 7fd5014730a3bb70b7c7b9d13f7e3650 [1,1,0,0,0,0|2,0,0]=4 4851 B11R0.174 CCSC(=O)OCN[C@@H](C)CC 0f41813936879897d6e4112247295e2b [1,1,0,0,0,0|2,0,0]=4 4852 B11R0.174 CCSC(=O)OCN[C@H](C)CC d74bd05c90503b210b485ca9f72081a0 [1,1,0,0,0,0|2,0,0]=4 4853 B11R0.174 CCSC(=O)OCOC(C)CC 4ff470283a3ea5249bb6cbd41347629d [1,1,0,0,0,0|2,0,0]=4 4854 B11R0.174 CCSC(=O)OCO[C@@H](C)CC def7715683f8f0719749c3740a9419e0 [1,1,0,0,0,0|2,0,0]=4 4855 B11R0.174 CCSC(=O)OCO[C@H](C)CC 77d8cbf4c7e3057c4a195a8f2bbe20c5 [1,1,0,0,0,0|2,0,0]=4 4856 B11R0.174 CC[C@@H](C)COCC(=O)COC 002b822f73ada2fa51df74f98b2142c8 [1,1,0,0,0,0|2,0,0]=4 4857 B11R0.174 CC[C@@H](O)CNCC(=O)COC ba3f9dadab12a8a85519476c7d81af41 [1,1,0,0,0,0|2,0,0]=4 4858 B11R0.174 CC[C@H](C)CNCC(=O)COC 0211946f4861835c60c0c6ca98f5f9d6 [1,1,0,0,0,0|2,0,0]=4 4859 B11R0.174 CC[C@H](C)COCC(=O)COC f8d743dd3c8d34bd4ecaf9f873e7565b [1,1,0,0,0,0|2,0,0]=4 4860 B11R0.176 C=C(C)CCCOC(=S)CCC 06f0d2133543f9c78504c69a8dcd99b6 [1,1,0,0,0,0|0,1,1]=4 4861 B11R0.176 C=C(C)CCNCC(=O)CCC 6a606e2e8db15771fc2f5abcf75b1f37 [1,1,0,0,0,0|1,0,1]=4 4862 B11R0.176 C=C(C)CCOCC(=O)CCC 9c44c524c3a3249e5de2ed263344d68f [1,1,0,0,0,0|1,0,1]=4 4863 B11R0.176 C=C(C)CNCOC(=O)CCC 2c571cde0834552be7ace0df261bed5e [1,1,0,0,0,0|1,0,1]=4 4864 B11R0.176 C=C(C)COCOC(=O)CCC 703e5b52959455f5f84dfadfe1e3f05c [1,1,0,0,0,0|1,0,1]=4 4865 B11R0.176 CC(C)CCCNC(=O)CCF 7cd6c42913b1c06ce9150402c063b0d8 [1,1,0,0,0,0|2,0,0]=4 4866 B11R0.176 CC(C)CCCNC(=O)CCO 6acd407b4da45db97c355e27d0572b93 [1,1,0,0,0,0|2,0,0]=4 4867 B11R0.176 CC(C)CCCNC(=O)CCS 442e6cb2b25c081cd1cb0fd03ac702da [1,1,0,0,0,0|2,0,0]=4 4868 B11R0.176 CCCC(=O)CNCCC(C)C 311c7bb78e0d041c14f5cbc9da42948d [1,1,0,0,0,0|1,0,0]=3 4869 B11R0.176 CCCC(=O)CNCCC(C)O b72f56b2f314d16d6202ad997932347b [1,1,0,0,0,0|1,0,0]=3 4870 B11R0.176 CCCC(=O)CNCCC(F)F 3423cf7e71dd8fe3354aa8a5c92861c0 [1,1,0,0,0,0|2,0,0]=4 4871 B11R0.176 CCCC(=O)CNCCN(C)C 00240278f85182e7e2684d63d9e7538c [1,1,0,0,0,0|2,0,0]=4 4872 B11R0.176 CCCC(=O)CNCCS(=O)C 18aed2c7aaa0ee74e25c6bd637749a42 [1,1,0,0,0,0|2,0,0]=4 4873 B11R0.176 CCCC(=O)CNCC[C@@H](C)O f4aa6314f056fc60d53d32325c6560d9 [1,1,0,0,0,0|1,0,0]=3 4874 B11R0.176 CCCC(=O)CNCC[C@H](C)O 4eb7668ba9255a3390da70d90c5df24b [1,1,0,0,0,0|1,0,0]=3 4875 B11R0.176 CCCC(=O)COCCC(=O)C 30d1f070029befa3b0666b78064dd252 [1,1,0,0,0,0|1,0,1]=4 4876 B11R0.176 CCCC(=O)COCCC(C)C fafcf3956ddfaf9fda8bcce367641fd0 [1,1,0,0,0,0|1,0,0]=3 4877 B11R0.176 CCCC(=O)COCCC(F)F dcd99da61cae5a75e55c884aa36902c0 [1,1,0,0,0,0|2,0,0]=4 4878 B11R0.176 CCCC(=O)COCCN(C)C 629ddddc14b4b1ccea1cb881ae7d0e74 [1,1,0,0,0,0|2,0,0]=4 4879 B11R0.176 CCCC(=O)COCCS(=O)C 5672df53a9563d296bdc63de60ead129 [1,1,0,0,0,0|2,0,0]=4 4880 B11R0.176 CCCC(=O)NCCCC(C)C 0addf1beaad564b615d19ab8a52af8fd [1,1,0,0,0,0|1,0,0]=3 4881 B11R0.176 CCCC(=O)NCCCN(C)C cf751259f6afbee38b97b33068a09f33 [1,1,0,0,0,0|2,0,0]=4 4882 B11R0.176 CCCC(=O)NCCCS(=O)C 670ba425e8076bffbcb725fbdc89baff [1,1,0,0,0,0|2,0,0]=4 4883 B11R0.176 CCCC(=O)NCCOC(C)C 8e1bc54ad65925ded434d7161bb4da8d [1,1,0,0,0,0|2,0,0]=4 4884 B11R0.176 CCCC(=O)OCCOC(C)C d6fb9d55c8594e21b596cb2208cfae4e [1,1,0,0,0,0|1,0,0]=3 4885 B11R0.176 CCCC(=O)OCNCC(=O)C b5673b9cd851f7367e2fa76dc814d144 [1,1,0,0,0,0|1,0,1]=4 4886 B11R0.176 CCCC(=O)OCNCC(C)C 462175424f431d5efe3005b98c3393e4 [1,1,0,0,0,0|1,0,0]=3 4887 B11R0.176 CCCC(=O)OCNCC(C)O b304759118d7c52a7f930f37e90b9124 [1,1,0,0,0,0|1,0,0]=3 4888 B11R0.176 CCCC(=O)OCNCC(F)F 92344a18ed33fbc042be1f41ca45162e [1,1,0,0,0,0|2,0,0]=4 4889 B11R0.176 CCCC(=O)OCNC[C@@H](C)O 0787f3e46adef2052e68a66bfd8172d2 [1,1,0,0,0,0|1,0,0]=3 4890 B11R0.176 CCCC(=O)OCNC[C@H](C)O 5ce52f7828f664ce01404fd1978aef6f [1,1,0,0,0,0|1,0,0]=3 4891 B11R0.176 CCCC(=O)OCOCC(=O)C 0cac0d6e16ed0d347915ddf8df507054 [1,1,0,0,0,0|1,0,1]=4 4892 B11R0.176 CCCC(=O)OCOCC(C)C 9d6081c835bc8424ad8872c9637ba9b8 [1,1,0,0,0,0|1,0,0]=3 4893 B11R0.176 CCCC(=O)OCOCC(C)F 95a6308264889399aeb20497624f246a [1,1,0,0,0,0|1,0,0]=3 4894 B11R0.176 CCCC(=O)OCOCC(C)S f505a3385959087b173f866d932faed1 [1,1,0,0,0,0|1,0,0]=3 4895 B11R0.176 CCCC(=O)OCOCC(F)F b598fdab7b7b930a2c4f9bc9d1ec0edc [1,1,0,0,0,0|2,0,0]=4 4896 B11R0.176 CCCC(=O)OCOC[C@@H](C)F f5a607bf0a321f8665b4338b4b2e95ba [1,1,0,0,0,0|1,0,0]=3 4897 B11R0.176 CCCC(=O)OCOC[C@H](C)F 059a603dece5a36f772994b06679f618 [1,1,0,0,0,0|1,0,0]=3 4898 B11R0.176 CCCC(=S)OCCCC(=O)C ff8c32e800cfc46d63e45dc82c5e6201 [1,1,0,0,0,0|0,1,1]=4 4899 B11R0.176 CCCC(=S)OCCCC(C)C 0022d3acc9a321b5b7157c3dd124934e [1,1,0,0,0,0|0,1,0]=3 4900 B11R0.176 CCCC(=S)OCCCN(C)C b2bcc3558a7c6b44b33cc2707518645f [1,1,0,0,0,0|1,1,0]=4 4901 B11R0.176 CCCC(=S)OCCOC(C)C 83ae0a38e2e7a1397a1ad203d1a72a47 [1,1,0,0,0,0|1,1,0]=4 4902 B11R0.176 CCCC(=S)OCCSC(C)C 1b2e3e0bc770d0a913575700f740552a [1,1,0,0,0,0|1,1,0]=4 4903 B11R0.176 CCCC(C)OCCCC(C)C e3bb3c4c8fbb375bcd15bfb88c1609db [1,1,0,0,0,0|1,0,1]=4 4904 B11R0.176 CCCN(C)CCCCC(C)C 64b7040b645e04f5cd9237794a649b32 [1,1,0,0,0,0|2,0,0]=4 4905 B11R0.176 CCCN(C)CCCCC(C)O fd4ed3a5d668a0b7cf3d1160786f2906 [1,1,0,0,0,0|2,0,0]=4 4906 B11R0.176 CCCN(C)CCCC[C@@H](C)O aacd8625fa2314f297b0e0b9dcec693a [1,1,0,0,0,0|2,0,0]=4 4907 B11R0.176 CCC[C@@H](C)OCCCC(C)C 0b786c8e8da7f8b561a35fef44b01d3d [1,1,0,0,0,0|1,0,1]=4 4908 B11R0.176 CCC[C@H](C)OCCCC(C)C 15284732fe8408fe58ec6d13ea3db5d1 [1,1,0,0,0,0|1,0,1]=4 4909 B11R0.176 CCNC(=O)CCNCC(C)C aeb65625e53a512f22c6b7f93568809a [1,1,0,0,0,0|2,0,0]=4 4910 B11R0.176 CCNC(=O)CCNCC(C)O 4a8b29fb50ccaeaf9df6638fa7118bd0 [1,1,0,0,0,0|2,0,0]=4 4911 B11R0.176 CCNC(=O)CCNC[C@@H](C)O 7f474bf0f2b43e34d27da1fb09634ce2 [1,1,0,0,0,0|2,0,0]=4 4912 B11R0.176 CCNC(=O)CCNC[C@H](C)O b7e2f0dad4355c6beb52667516d70c51 [1,1,0,0,0,0|2,0,0]=4 4913 B11R0.176 CCNC(=O)CCOCC(C)C 6902ec025b5bf930b5ecb4ea83563a35 [1,1,0,0,0,0|2,0,0]=4 4914 B11R0.176 CCNC(=O)CCOCC(C)F 10f0a950b88f20c9bb2ee36258e0e2e2 [1,1,0,0,0,0|2,0,0]=4 4915 B11R0.176 CCNC(=O)CCOCC(C)S f59756427233f3c404ed386708baf58f [1,1,0,0,0,0|2,0,0]=4 4916 B11R0.176 CCNC(=O)CCOC[C@@H](C)F b8004b91a14a2069e8f2035d007549b7 [1,1,0,0,0,0|2,0,0]=4 4917 B11R0.176 CCNC(=O)CCOC[C@H](C)F 1242563167f435b3ae464475292c5b8f [1,1,0,0,0,0|2,0,0]=4 4918 B11R0.176 CCNC(=O)CNCCC(C)C ff3c5585e61abd52cf08c4c91845d65a [1,1,0,0,0,0|2,0,0]=4 4919 B11R0.176 CCNC(=O)CNCCC(C)O 848ec6a3bdab3950e94bd56c0712ccd0 [1,1,0,0,0,0|2,0,0]=4 4920 B11R0.176 CCNC(=O)CNCC[C@@H](C)O 0b8e4105e87dc85aa5af3f4c3acb0aee [1,1,0,0,0,0|2,0,0]=4 4921 B11R0.176 CCNC(=O)CNCC[C@H](C)O da644281ae27ac1f53cdb9c6b8846b63 [1,1,0,0,0,0|2,0,0]=4 4922 B11R0.176 CCNC(=O)COCCC(C)C d0507196a7e6bf1c34d2bdec31bf6a54 [1,1,0,0,0,0|2,0,0]=4 4923 B11R0.176 CCOC(=O)CCCNC(C)C 6090aeca0c12e15306006f1b8129a307 [1,1,0,0,0,0|2,0,0]=4 4924 B11R0.176 CCOC(=O)CCCOC(C)C cb3990b77ac8614d5a199dee0b6c670a [1,1,0,0,0,0|2,0,0]=4 4925 B11R0.176 CCOC(=O)CCNCC(C)C a4a22cd37d958cae8ceeb73387556b90 [1,1,0,0,0,0|2,0,0]=4 4926 B11R0.176 CCOC(=O)CCNCC(C)O be2b98916a55b42175156b0abd4f7e8f [1,1,0,0,0,0|2,0,0]=4 4927 B11R0.176 CCOC(=O)CCNC[C@@H](C)O 4a1dd57d45a3dc61a46db3bb3a9bbcb9 [1,1,0,0,0,0|2,0,0]=4 4928 B11R0.176 CCOC(=O)CCNC[C@H](C)O b78bb5c7366f131676015783c3a6e13b [1,1,0,0,0,0|2,0,0]=4 4929 B11R0.176 CCOC(=O)CCOCC(C)C 294a8e4c83ec6dde1c3beb7fda5e7260 [1,1,0,0,0,0|2,0,0]=4 4930 B11R0.176 CCOC(=O)CCOCC(C)F c77fad289fbad8a1e945795c54dc9cf2 [1,1,0,0,0,0|2,0,0]=4 4931 B11R0.176 CCOC(=O)CCOCC(C)S 7cce85eff7c24ee98ee771c3fe4f4461 [1,1,0,0,0,0|2,0,0]=4 4932 B11R0.176 CCOC(=O)CCOC[C@@H](C)F a028819f3f04aa6f49ddd16540f722c6 [1,1,0,0,0,0|2,0,0]=4 4933 B11R0.176 CCOC(=O)CCOC[C@H](C)F 4e371a4629921c3a6f195a5e5c9da766 [1,1,0,0,0,0|2,0,0]=4 4934 B11R0.176 CCOC(=O)CNCCC(C)C 9358c2b2b2d238560b9509b95c6cc015 [1,1,0,0,0,0|2,0,0]=4 4935 B11R0.176 CCOC(=O)CNCCC(C)O e1f9006d512cde7fecb5f51e75dc346a [1,1,0,0,0,0|2,0,0]=4 4936 B11R0.176 CCOC(=O)CNCC[C@@H](C)O 84bb1fed0add28b47c15f032556c1047 [1,1,0,0,0,0|2,0,0]=4 4937 B11R0.176 CCOC(=O)CNCC[C@H](C)O aa5de25fbf023820ef33b008e20907c8 [1,1,0,0,0,0|2,0,0]=4 4938 B11R0.176 CCOC(=O)COCCC(C)C b1594b7f7bda34bad84bf73b0d0f32ac [1,1,0,0,0,0|2,0,0]=4 4939 B11R0.176 CCOC(=O)OCNCC(C)C 8c356e5dd45ce378fe908df17b85d739 [1,1,0,0,0,0|2,0,0]=4 4940 B11R0.176 CCOC(=O)OCNCC(C)O 09011b8bef3a9755ac372072bc1850d3 [1,1,0,0,0,0|2,0,0]=4 4941 B11R0.176 CCOC(=O)OCNC[C@@H](C)O 2e09fac9a4e9b7d703c54cac998b041e [1,1,0,0,0,0|2,0,0]=4 4942 B11R0.176 CCOC(=O)OCNC[C@H](C)O 4764ccef395c42f38c313068eeab95c4 [1,1,0,0,0,0|2,0,0]=4 4943 B11R0.176 CCOC(=O)OCOCC(C)C 3e65591b873df01a101913fdc1293ad3 [1,1,0,0,0,0|2,0,0]=4 4944 B11R0.176 CCOC(=O)OCOCC(C)F 0c108318fe1898b2903d3e64042a01c3 [1,1,0,0,0,0|2,0,0]=4 4945 B11R0.176 CCOC(=O)OCOCC(C)S 13a284f9f3946d600a61d3d5ac6840f9 [1,1,0,0,0,0|2,0,0]=4 4946 B11R0.176 CCOC(=O)OCOC[C@@H](C)F 3d1ac69c08e8ec9dc3f496d02db9a989 [1,1,0,0,0,0|2,0,0]=4 4947 B11R0.176 CCOC(=O)OCOC[C@H](C)F d6a41087226e1fc08061b5fe7b3c5c70 [1,1,0,0,0,0|2,0,0]=4 4948 B11R0.176 CCSC(=O)OCNCC(C)C bad2c47562f870b1f54be17e6f43cb94 [1,1,0,0,0,0|2,0,0]=4 4949 B11R0.176 CCSC(=O)OCNCC(C)O 8ffd02c032bfa69db71089baf4bae9ac [1,1,0,0,0,0|2,0,0]=4 4950 B11R0.176 CCSC(=O)OCNC[C@@H](C)O 0fa0160e4f062e0f114d3f0483ba0cf8 [1,1,0,0,0,0|2,0,0]=4 4951 B11R0.176 CCSC(=O)OCNC[C@H](C)O 5aadb4bbf74d34fe17e36e33580fa3fd [1,1,0,0,0,0|2,0,0]=4 4952 B11R0.176 CCSC(=O)OCOCC(C)C e69f5a2ab33439bafe404f67eb93b86a [1,1,0,0,0,0|2,0,0]=4 4953 B11R0.176 CCSC(=O)OCOCC(C)F aae8bd1b55f518225401946075c9481a [1,1,0,0,0,0|2,0,0]=4 4954 B11R0.176 CCSC(=O)OCOCC(C)S d24bb0a1f1d6aa2cf32587c78736a429 [1,1,0,0,0,0|2,0,0]=4 4955 B11R0.176 CCSC(=O)OCOC[C@@H](C)F 5a9b773f5eb716b377e9090de283e338 [1,1,0,0,0,0|2,0,0]=4 4956 B11R0.176 CCSC(=O)OCOC[C@H](C)F b04c7f8e3c10cb7070bd05281f10d796 [1,1,0,0,0,0|2,0,0]=4 4957 B11R0.176 COCC(=O)CNCCC(C)C e3bc5b07cc1e7de2d0e2028ce201760a [1,1,0,0,0,0|2,0,0]=4 4958 B11R0.176 COCC(=O)CNCCC(C)O 6ff5e49e8efaeb4910d519fd67ae3b94 [1,1,0,0,0,0|2,0,0]=4 4959 B11R0.176 COCC(=O)CNCC[C@@H](C)O 9e89a7bb8a1bf4b2ea04ee5a8d208bae [1,1,0,0,0,0|2,0,0]=4 4960 B11R0.176 COCC(=O)CNCC[C@H](C)O 6aeff9b18d1eba9f8145e78c0240a6f3 [1,1,0,0,0,0|2,0,0]=4 4961 B11R0.176 COCC(=O)COCCC(C)C 125b7cd292a5c827315afa4ac4d7ade3 [1,1,0,0,0,0|2,0,0]=4 4962 B11R0.176 COCC(=O)NCCCC(C)C 49137af88bbef6692207e2445a5b2868 [1,1,0,0,0,0|2,0,0]=4 4963 B11R0.176 CSCC(=O)NCCCC(C)C 0230d751d3287cc6d73dbba97df23bb3 [1,1,0,0,0,0|2,0,0]=4 4964 B11R0.3 C#CCCCCCOCCCC a6767e3572e039246806d7c1f4ab452e [1,1,0,0,0,0|0,0,2]=4 4965 B11R0.3 C#CCCCOCCCCCC dcee40ff53ac67443eba7b05c5d90c94 [1,1,0,0,0,0|0,0,2]=4 4966 B11R0.3 C/C=C/CCOCCCCCC 8c3ad0457a3e830872c3530027a04f1e [1,1,0,0,0,0|0,0,2]=4 4967 B11R0.3 C=CCCCCCOCCCC 580bca9ccc39bf087cb9fbf52b121e2d [1,1,0,0,0,0|0,0,2]=4 4968 B11R0.3 C=CCCCOCCCCCC 7b128642b816d84d36be162dfb6b66f7 [1,1,0,0,0,0|0,0,2]=4 4969 B11R0.3 CC#CCCOCCCCCC 4df9256e5313b82d3da19c215c9e28d8 [1,1,0,0,0,0|0,0,2]=4 4970 B11R0.3 CC/C=C/CCOCCCCC b53d7a6c46eb728d1471fa5f092df813 [1,1,0,0,0,0|1,0,1]=4 4971 B11R0.3 CC/C=C/CNCCCCCC 4ea6a89a67bd880060b4122692e295c2 [1,1,0,0,0,0|1,0,1]=4 4972 B11R0.3 CC/C=C/COCCCCCC eb90121bb3484ddc510c42f4817c7d41 [1,1,0,0,0,0|0,0,1]=3 4973 B11R0.3 CC/C=C/COCCCCCF 7b75038d11bb46fe8e249d2dcb96fcd6 [1,1,0,0,0,0|1,0,1]=4 4974 B11R0.3 CC/C=C/COCCCCOC e7c3d87b782983344570a27572ffbf26 [1,1,0,0,0,0|1,0,1]=4 4975 B11R0.3 CC/C=C/COCCCCSC 091663aae70043d65b211f8f597d86e9 [1,1,0,0,0,0|1,0,1]=4 4976 B11R0.3 CC/C=C/COCCCOCC 78297c8bc000552630439c9709171cba [1,1,0,0,0,0|1,0,1]=4 4977 B11R0.3 CC/C=C/COCCCSCC 15b9fe94e8a49786c10995a9adfdceed [1,1,0,0,0,0|1,0,1]=4 4978 B11R0.3 CC/C=C/COCCOCCC 9cc7e8c4d1d9a97715bfc8cbef889868 [1,1,0,0,0,0|1,0,1]=4 4979 B11R0.3 CC/C=C/COCCSCCC 95cab5376c5a30e2fc8eb4f66f596d44 [1,1,0,0,0,0|1,0,1]=4 4980 B11R0.3 CC/C=C/COCOCCCC 0d636c9ea306623be56f563bf5b5ad56 [1,1,0,0,0,0|1,0,1]=4 4981 B11R0.3 CC/C=C\CCCCCOCC 3fcd157868f9d6a02a7d59a5bad0c445 [1,1,0,0,0,0|1,0,1]=4 4982 B11R0.3 CC/C=C\CCCCOCCC b91b66aedbd8d3f44f429a8b1d860578 [1,1,0,0,0,0|1,0,1]=4 4983 B11R0.3 CC/C=C\CCCOCCCC 4cdaf8803428e2d9f645148af5a0d0b2 [1,1,0,0,0,0|0,0,2]=4 4984 B11R0.3 CC/C=C\CCNCCCCC ca3a0d15ea7c79f615890d56cab14290 [1,1,0,0,0,0|1,0,1]=4 4985 B11R0.3 CC/C=C\CCOCCCCC 26ad29cfc366b08d786d9b655a0964e4 [1,1,0,0,0,0|1,0,1]=4 4986 B11R0.3 CC/C=C\COCCCCCC 9755557f3f5961e4b7217afb6d53fd2f [1,1,0,0,0,0|0,0,1]=3 4987 B11R0.3 CC/C=C\COCCCCCF 35cd61b12323056f0401f98311654457 [1,1,0,0,0,0|1,0,1]=4 4988 B11R0.3 CC/C=C\COCCCCOC e551e50f44f5d50f7aaa7f9517da79d7 [1,1,0,0,0,0|1,0,1]=4 4989 B11R0.3 CC/C=C\COCCCOCC 09a72043339a3aef47e35453f927d988 [1,1,0,0,0,0|1,0,1]=4 4990 B11R0.3 CC/C=C\COCCCSCC 1795e1c986d477f0638e7d7e2a0f309e [1,1,0,0,0,0|1,0,1]=4 4991 B11R0.3 CC/C=C\COCCOCCC 8399b5ba7d8ae3af7874349b04bbbee4 [1,1,0,0,0,0|1,0,1]=4 4992 B11R0.3 CC/C=C\COCOCCCC ecbff20520a997a442bc1e107ec28aeb [1,1,0,0,0,0|1,0,1]=4 4993 B11R0.3 CCC#CCOCCCCCC 2489a158ff607aa0b713ab2111e23770 [1,1,0,0,0,0|0,0,2]=4 4994 B11R0.3 CCC/C=C/CCCOCCC dae1775eca5913317c5cd584ee8751c6 [1,1,0,0,0,0|1,0,0]=3 4995 B11R0.3 CCC/C=C/CCCOCCF a80ad6d24efb4f7d744f4f79037555a9 [1,1,0,0,0,0|2,0,0]=4 4996 B11R0.3 CCC/C=C/CCCOCCS e7b7cc02174042151a7fe34f90ac8f60 [1,1,0,0,0,0|2,0,0]=4 4997 B11R0.3 CCC/C=C/CCCOCOC fc2274f1f9b386f550752b65f24ffe54 [1,1,0,0,0,0|2,0,0]=4 4998 B11R0.3 CCC/C=C/CCCOCSC 698b26e231fa7e988c284f20b4e0b9e0 [1,1,0,0,0,0|2,0,0]=4 4999 B11R0.3 CCC/C=C/CNCCCCC 220ba6cf6d3871bb7347038a1b74977c [1,1,0,0,0,0|1,0,0]=3 5000 B11R0.3 CCC/C=C/CNCCCCCl b61ca8398daea604c7b88542bbde1523 [1,1,0,0,0,0|2,0,0]=4 5001 B11R0.3 CCC/C=C/CNCCCCO 639a07255e680188f68832595d43e1a1 [1,1,0,0,0,0|2,0,0]=4 5002 B11R0.3 CCC/C=C/CNCCCCS 31aac3d082339589090f5a4502303824 [1,1,0,0,0,0|2,0,0]=4 5003 B11R0.3 CCC/C=C/CNCCCOC 5eb56760c107ce156e3f37add0defb7d [1,1,0,0,0,0|2,0,0]=4 5004 B11R0.3 CCC/C=C/CNCCCSC a1ba6671c7e688ddae72c34509184d40 [1,1,0,0,0,0|2,0,0]=4 5005 B11R0.3 CCC/C=C/CNCCOCC f3e083aa07e9e195c919e61bed71cbca [1,1,0,0,0,0|2,0,0]=4 5006 B11R0.3 CCC/C=C/CNCCSCC a0603daf4692366d9460b912318b6159 [1,1,0,0,0,0|2,0,0]=4 5007 B11R0.3 CCC/C=C/COCCCCC 376fd1605555eb7afa40e728bdf19f2d [1,1,0,0,0,0|1,0,0]=3 5008 B11R0.3 CCC/C=C/COCCCCF 1e405093a9cd08a77a3ce5d51eb8d2b2 [1,1,0,0,0,0|2,0,0]=4 5009 B11R0.3 CCC/C=C/COCCCCS bf576c04450197c5a420c415250ec66b [1,1,0,0,0,0|2,0,0]=4 5010 B11R0.3 CCC/C=C/COCCCOC 2652ab1b03d006e31ac095fd8b569317 [1,1,0,0,0,0|2,0,0]=4 5011 B11R0.3 CCC/C=C/COCCCSC d3d0a5114803e7784bdbde662b141e2e [1,1,0,0,0,0|2,0,0]=4 5012 B11R0.3 CCC/C=C/COCCOCC fa936414fc6de811957229b314abcf23 [1,1,0,0,0,0|2,0,0]=4 5013 B11R0.3 CCC/C=C/COCCSCC 555c6c596d7892551d87bd34963df301 [1,1,0,0,0,0|2,0,0]=4 5014 B11R0.3 CCC/C=C\CCCOCCC 9d2652818f4292c6bd7658d96bf7fce0 [1,1,0,0,0,0|1,0,0]=3 5015 B11R0.3 CCC/C=C\CCCOCCF 0caca79b41b4b19b20dabcf40288bd48 [1,1,0,0,0,0|2,0,0]=4 5016 B11R0.3 CCC/C=C\CCCOCCS 4c4a72bd9dcc0de36a00433a43e5977f [1,1,0,0,0,0|2,0,0]=4 5017 B11R0.3 CCC/C=C\CCCOCOC 5673570b0b67f6fc0ff62865642c10d6 [1,1,0,0,0,0|2,0,0]=4 5018 B11R0.3 CCC/C=C\CCCOCSC acaa6d53e87f0e29572323fb5363eb59 [1,1,0,0,0,0|2,0,0]=4 5019 B11R0.3 CCC/C=C\CCOCCCC 9e74787723b6c36b8e5fff0d11977396 [1,1,0,0,0,0|1,0,0]=3 5020 B11R0.3 CCC/C=C\CCOCCCF dd989db2289351ef5ce7df50d48f6ddb [1,1,0,0,0,0|2,0,0]=4 5021 B11R0.3 CCC/C=C\CCOCCCS b79df2321dfd6b64cfc3914ae100f69d [1,1,0,0,0,0|2,0,0]=4 5022 B11R0.3 CCC/C=C\CCOCCOC 54b94a67fbd01818f073011ed3235f49 [1,1,0,0,0,0|2,0,0]=4 5023 B11R0.3 CCC/C=C\CCOCCSC d1fbff8adee1bfbcb12bdd9d9ad6634b [1,1,0,0,0,0|2,0,0]=4 5024 B11R0.3 CCC/C=C\CCOCOCC b227ec100de3b879ddd32c02a1864e6a [1,1,0,0,0,0|2,0,0]=4 5025 B11R0.3 CCC/C=C\CNCCCCC 019a7c473a2da7ebbb424bd7efd3e588 [1,1,0,0,0,0|1,0,0]=3 5026 B11R0.3 CCC/C=C\CNCCCCCl bc96fe17e2b05c395f3c43650263229f [1,1,0,0,0,0|2,0,0]=4 5027 B11R0.3 CCC/C=C\CNCCCCO 47755699a15979b55acc95b06960b519 [1,1,0,0,0,0|2,0,0]=4 5028 B11R0.3 CCC/C=C\CNCCCCS 407c648f8af794946e18a71773eeee6c [1,1,0,0,0,0|2,0,0]=4 5029 B11R0.3 CCC/C=C\CNCCCOC f6bfe2cec7f50561da5abcc118f6dbc1 [1,1,0,0,0,0|2,0,0]=4 5030 B11R0.3 CCC/C=C\CNCCCSC 9d15edba94ff9b0648f4f3696f649af7 [1,1,0,0,0,0|2,0,0]=4 5031 B11R0.3 CCC/C=C\CNCCOCC 52061ebaaf9e88609e4cf281a17645bc [1,1,0,0,0,0|2,0,0]=4 5032 B11R0.3 CCC/C=C\CNCCSCC 19be2ef1ef75de9f8ae02ee38f268881 [1,1,0,0,0,0|2,0,0]=4 5033 B11R0.3 CCC/C=C\COCCCCC d379d1a8be0c42f6be0ab331a41b2209 [1,1,0,0,0,0|1,0,0]=3 5034 B11R0.3 CCC/C=C\COCCCCF 86073571909588252351e5d35bfd63d7 [1,1,0,0,0,0|2,0,0]=4 5035 B11R0.3 CCC/C=C\COCCCCS 81fe9677b5d1f32bf51a05fa8cf5cc73 [1,1,0,0,0,0|2,0,0]=4 5036 B11R0.3 CCC/C=C\COCCCOC eac2a114c2a207e3d627da99b3b146d4 [1,1,0,0,0,0|2,0,0]=4 5037 B11R0.3 CCC/C=C\COCCCSC cfccee0d115516457b51764d0bbc11d7 [1,1,0,0,0,0|2,0,0]=4 5038 B11R0.3 CCC/C=C\COCCOCC f8e0d83a65b0dc18d8d0f5ad6742be3b [1,1,0,0,0,0|2,0,0]=4 5039 B11R0.3 CCC/C=C\COCCSCC 35d8c21a2c7aee7b436fe7dbbf4ba576 [1,1,0,0,0,0|2,0,0]=4 5040 B11R0.3 CCC=CCCCCCOCC acb4ebc5d4b9da3999d78f72f192ac9b [1,1,0,0,0,0|1,0,1]=4 5041 B11R0.3 CCCC#CCCOCCCC 5dd77899fa2630c12a317b7aa0e40741 [1,1,0,0,0,0|0,0,2]=4 5042 B11R0.3 CCCC#CCOCCCCC 294532da1ff01764bd0073793a3e09a3 [1,1,0,0,0,0|1,0,1]=4 5043 B11R0.3 CCCC/C=C/CNCCCC 45a1595a8cd26e56275e1f00dfa303c5 [1,1,0,0,0,0|2,0,0]=4 5044 B11R0.3 CCCC/C=C/COCCCC 82dc9ab35de47f0095fadba26ee4655b [1,1,0,0,0,0|0,0,2]=4 5045 B11R0.3 CCCC/C=C\CCOCCC 1a8844975936e052ac905af32c23beeb [1,1,0,0,0,0|2,0,0]=4 5046 B11R0.3 CCCC/C=C\CNCCCC 7f1816742bbcb8773089cbe2feaac39f [1,1,0,0,0,0|2,0,0]=4 5047 B11R0.3 CCCC/C=C\COCCCC a469df223d2e13d6d1c593a861913433 [1,1,0,0,0,0|0,0,2]=4 5048 B11R0.3 CCCC=C=CCCOCCC 33551549ebfa38dbd155b82df28e83f8 [1,1,0,0,0,0|1,0,1]=4 5049 B11R0.3 CCCCC#CCOCCCC c37a33db3e7c309c6e390eb3aaebf07d [1,1,0,0,0,0|0,0,2]=4 5050 B11R0.3 CCCCCC/C=C/COCC 1d564dbe762cb9f190a747403312f838 [1,1,0,0,0,0|1,0,0]=3 5051 B11R0.3 CCCCCC/C=C/COCF 91ebc248f7b4f728849745f48647afc4 [1,1,0,0,0,0|2,0,0]=4 5052 B11R0.3 CCCCCC/C=C\COCC 5a8a881f07f8a5e19b54364067beb581 [1,1,0,0,0,0|1,0,0]=3 5053 B11R0.3 CCCCCC/C=C\COCF 487281249c24753e3698304f4c3a6dd8 [1,1,0,0,0,0|2,0,0]=4 5054 B11R0.3 CCCCCCC#CCOCC 66416f698d2466e906aa210fab2adadb [1,1,0,0,0,0|1,0,1]=4 5055 B11R0.3 CCCCCCCCCNCC b6539dc308d63bc638f757291d8ebf84 [1,1,0,0,0,0|1,0,1]=4 5056 B11R0.3 CCCCCCCCCOCC 2da72f808296172141d037a9a0e922cc [1,1,0,0,0,0|1,0,1]=4 5057 B11R0.3 CCCCCCCCNCCC 5c5d2b2d5b77701c078b7890315f6ed4 [1,1,0,0,0,0|1,0,1]=4 5058 B11R0.3 CCCCCCCCOCCC 5c55f182a5e0d29dd20e8f79767e7a77 [1,1,0,0,0,0|1,0,1]=4 5059 B11R0.3 CCCCCCCNCCCC 36a5fecc81cda5ee533584053ef52c12 [1,1,0,0,0,0|1,0,1]=4 5060 B11R0.3 CCCCCCCNCCCCl f8ee8ff116da89d7af5396839da83b0c [1,1,0,0,0,0|2,0,0]=4 5061 B11R0.3 CCCCCCCNCCCF 906b08ea9b84bc278513d70a1bf0318f [1,1,0,0,0,0|2,0,0]=4 5062 B11R0.3 CCCCCCCNCCCO 15d41c00a29a7860828561fb02e66224 [1,1,0,0,0,0|2,0,0]=4 5063 B11R0.3 CCCCCCCNCCCS ecfb391744e4cf619ddb1431239249a3 [1,1,0,0,0,0|2,0,0]=4 5064 B11R0.3 CCCCCCCNCCOC 69cf410dbcae6250fa43ef62a2e446b9 [1,1,0,0,0,0|2,0,0]=4 5065 B11R0.3 CCCCCCCNCCSC f2bda9ff673c32e61a51af258486ce04 [1,1,0,0,0,0|2,0,0]=4 5066 B11R0.3 CCCCCCCNCOCC 6085cc928a8612c71e1d4d6b1a7edbd3 [1,1,0,0,0,0|2,0,0]=4 5067 B11R0.3 CCCCCCCOCCCC fa9669fb11a16db471e00134e33ec65d [1,1,0,0,0,0|0,0,1]=3 5068 B11R0.3 CCCCCCCOCCCF dc30ed190709942ca9892214ca06d346 [1,1,0,0,0,0|1,0,1]=4 5069 B11R0.3 CCCCCCCOCCCS 94ae84f911d880b1b60e67d5fe9456f9 [1,1,0,0,0,0|1,0,1]=4 5070 B11R0.3 CCCCCCCOCCOC da632fd4c8dbaa7e736986371e70812f [1,1,0,0,0,0|1,0,1]=4 5071 B11R0.3 CCCCCCCOCCSC 5d28dcb16e772f4082853bfc4000554e [1,1,0,0,0,0|1,0,1]=4 5072 B11R0.3 CCCCCCCOCOCC 79bd364aab6610fe1fe6d0e85e5d8630 [1,1,0,0,0,0|1,0,1]=4 5073 B11R0.3 CCCCCCNCCCCC 49296b0c254283861aea5ee041198391 [1,1,0,0,0,0|1,0,1]=4 5074 B11R0.3 CCCCCCNCCCCCl c3c1177d24b9e0eb9ac340c3d5d2e01b [1,1,0,0,0,0|1,0,1]=4 5075 B11R0.3 CCCCCCNCCCCF 848e11d8bf36fce980201576831556b2 [1,1,0,0,0,0|1,0,1]=4 5076 B11R0.3 CCCCCCNCCCCO 5685819b9fdb19d77b1eb89b122e386d [1,1,0,0,0,0|1,0,1]=4 5077 B11R0.3 CCCCCCNCCCCS 7732486ecc35b82a80124c607ae7d41e [1,1,0,0,0,0|1,0,1]=4 5078 B11R0.3 CCCCCCNCCCOC bde578c8d9647d5e2aa98bc1bfc21a23 [1,1,0,0,0,0|1,0,1]=4 5079 B11R0.3 CCCCCCNCCCSC fc46d58af1e179cb34e9472ac483e123 [1,1,0,0,0,0|1,0,1]=4 5080 B11R0.3 CCCCCCNCCOCC 742e1d719e7bb4c2babe34eeefcd2441 [1,1,0,0,0,0|1,0,1]=4 5081 B11R0.3 CCCCCCNCCSCC 0a52927d0b06e6fdc29929d5c3f1e34e [1,1,0,0,0,0|1,0,1]=4 5082 B11R0.3 CCCCCCOCCCC#N 8b95e943d69c5b284df97a18edf37768 [1,1,0,0,0,0|0,0,2]=4 5083 B11R0.3 CCCCCCOCCCC=O 30a74e5ed2ff3a69b75905a761317e27 [1,1,0,0,0,0|0,0,2]=4 5084 B11R0.3 CCCCCCOCCCCC b4a731a4f44998aaa50eb10174d909fa [1,1,0,0,0,0|0,0,1]=3 5085 B11R0.3 CCCCCCOCCCCF 3b92ad47d9a4134451da9c78fd137d31 [1,1,0,0,0,0|0,0,1]=3 5086 B11R0.3 CCCCCCOCCCCS 50e196097c995a826b03c4a2c09a8f26 [1,1,0,0,0,0|0,0,1]=3 5087 B11R0.3 CCCCCCOCCCOC dc5eb90e321eb6669467912229a368ab [1,1,0,0,0,0|0,0,1]=3 5088 B11R0.3 CCCCCCOCCCSC e0ec46f8980185e6f6c90003593ede81 [1,1,0,0,0,0|0,0,1]=3 5089 B11R0.3 CCCCCCOCCOCC b30cb0c340af407e0ea99dea3465c010 [1,1,0,0,0,0|0,0,1]=3 5090 B11R0.3 CCCCCCOCCOCF 0b35ab31df5814af01719c9472e98535 [1,1,0,0,0,0|1,0,1]=4 5091 B11R0.3 CCCCCCOCCSCC 372c890bd26b1016f7be8971144c7fa4 [1,1,0,0,0,0|0,0,1]=3 5092 B11R0.3 CCCCCNCCOCCC 6590964a411046132458fdf2cb5c7ecf [1,1,0,0,0,0|2,0,0]=4 5093 B11R0.3 CCCCCNCOCCCC 081ac8ceb579e9a15ccbe2c4b744ee08 [1,1,0,0,0,0|0,0,1]=3 5094 B11R0.3 CCCCCNCOCCOC 31103413105b8409b2d74111aec1513f [1,1,0,0,0,0|1,0,1]=4 5095 B11R0.3 CCCCCOCCCCCF 755ae0a673d39bfc480773c3054368e3 [1,1,0,0,0,0|1,0,1]=4 5096 B11R0.3 CCCCCOCCCCOC 77f881265088d5fcfbbfeeadfcdedbe3 [1,1,0,0,0,0|1,0,1]=4 5097 B11R0.3 CCCCCOCCCCSC e423c097bc9500af43acd216c26ed988 [1,1,0,0,0,0|1,0,1]=4 5098 B11R0.3 CCCCCOCCCOCC 8f415b136edee3dd18226f52cdfec746 [1,1,0,0,0,0|1,0,1]=4 5099 B11R0.3 CCCCCOCCCSCC d152f0f24c87dfe3226edda7a393a099 [1,1,0,0,0,0|1,0,1]=4 5100 B11R0.3 CCCCCOCCOCCC d4de75a36e1b8e5b9990549c6c49ae3d [1,1,0,0,0,0|1,0,1]=4 5101 B11R0.3 CCCCCOCCSCCC 21bdcee15ce66355f7e953e9a5281f3b [1,1,0,0,0,0|1,0,1]=4 5102 B11R0.3 CCCCCOCOCCCC 86472914284346b0726a97759e9dbdaa [1,1,0,0,0,0|0,0,1]=3 5103 B11R0.3 CCCCCOCOCCOC a861a36e793c668e1d429babe837739c [1,1,0,0,0,0|1,0,1]=4 5104 B11R0.3 CCCCNCCCCCCCl 3bdcfd90cd17bd199a4e9bcc6247866f [1,1,0,0,0,0|1,0,1]=4 5105 B11R0.3 CCCCNCCCCCCF 792221cff14901f03892dd5847f325ff [1,1,0,0,0,0|1,0,1]=4 5106 B11R0.3 CCCCNCCCCCCO 18d6e73a0410fdb75fe54fc241b9d145 [1,1,0,0,0,0|1,0,1]=4 5107 B11R0.3 CCCCNCCCCCOC 39dd48d6a9a161764daafb8fcb68720b [1,1,0,0,0,0|1,0,1]=4 5108 B11R0.3 CCCCNCCCCSCC d8057eb68ff4e6b1bad58785e39559a5 [1,1,0,0,0,0|1,0,1]=4 5109 B11R0.3 CCCCNCCCOCCC a8e094ffbc04acf2b37fcc10a222ad6f [1,1,0,0,0,0|1,0,1]=4 5110 B11R0.3 CCCCNCCOCCCC 4097b86ff9dbcff8e0e0e2c01bfdae73 [1,1,0,0,0,0|0,0,1]=3 5111 B11R0.3 CCCCNCCOCCCO eab03d027dc4b54efeffdb94ff865b0b [1,1,0,0,0,0|1,0,1]=4 5112 B11R0.3 CCCCNCCOCCOC 472419cef473adbd9ebb816fafb87734 [1,1,0,0,0,0|1,0,1]=4 5113 B11R0.3 CCCCOCCCCCC#N 14326dc401f4384d520a1d249b9ed9e3 [1,1,0,0,0,0|0,0,2]=4 5114 B11R0.3 CCCCOCCCCCC=O ab5f42922e3122d7a63b27a5b77b4744 [1,1,0,0,0,0|0,0,2]=4 5115 B11R0.3 CCCCOCCCCCCF e6318e3fdcb569518cd3fe082761a6a1 [1,1,0,0,0,0|0,0,1]=3 5116 B11R0.3 CCCCOCCCCCCS fa2178b537fd8baeb81a0372c65e968c [1,1,0,0,0,0|0,0,1]=3 5117 B11R0.3 CCCCOCCCCCOC c4be7294b2a58faf58d44793b81a4f41 [1,1,0,0,0,0|0,0,1]=3 5118 B11R0.3 CCCCOCCCNCCC eec5f12f47b8d62e22170a01b43a0a36 [1,1,0,0,0,0|0,0,1]=3 5119 B11R0.3 CCCCOCCCNCCF fc3ee668f79739b27fa11ac840921091 [1,1,0,0,0,0|1,0,1]=4 5120 B11R0.3 CCCCOCCCNCCO 1b728ab01da5a5273aeb7ba49c7ed3e1 [1,1,0,0,0,0|1,0,1]=4 5121 B11R0.3 CCCCOCCCNCCS e6c9cca9157bb6e9111d463275ea145e [1,1,0,0,0,0|1,0,1]=4 5122 B11R0.3 CCCCOCCCNCOC 2d388fa6cd20f8fd5188171dca327978 [1,1,0,0,0,0|1,0,1]=4 5123 B11R0.3 CCCCOCCCNCSC baceca8843f0773833b1ece84aca39b3 [1,1,0,0,0,0|1,0,1]=4 5124 B11R0.3 CCCCOCCCOCCC 0e267ba7f302ce88de7473ef8eb67ac5 [1,1,0,0,0,0|0,0,1]=3 5125 B11R0.3 CCCCOCCCOCCF 475b892af5ff9e41110c151d7802e1dc [1,1,0,0,0,0|1,0,1]=4 5126 B11R0.3 CCCCOCCCOCCS ae5d9247445e5789d7d69b591a7f9ea9 [1,1,0,0,0,0|1,0,1]=4 5127 B11R0.3 CCCCOCCCOCOC 85b6440b2979c846fcccda16b109f66e [1,1,0,0,0,0|1,0,1]=4 5128 B11R0.3 CCCCOCCCOCSC e84908c8ce207436fef01373238ef0ec [1,1,0,0,0,0|1,0,1]=4 5129 B11R0.3 CCCCOCCNCCCCl a573b69ca5064c03014f54fb74cde8f6 [1,1,0,0,0,0|1,0,1]=4 5130 B11R0.3 CCCCOCCNCCCF d2b22aff81922f1c8a6044f83ab6adf6 [1,1,0,0,0,0|1,0,1]=4 5131 B11R0.3 CCCCOCCNCCCO 5340adda7912922acbc1b94ebf3c67dd [1,1,0,0,0,0|1,0,1]=4 5132 B11R0.3 CCCCOCCNCCCS 2ca5bb7f1984922c14cda7718d1dc207 [1,1,0,0,0,0|1,0,1]=4 5133 B11R0.3 CCCCOCCNCCOC 21e7c6f132ed5d6625561fe1215c92e3 [1,1,0,0,0,0|1,0,1]=4 5134 B11R0.3 CCCCOCCNCCSC d061fd1455585b3ddc85bb56e7708145 [1,1,0,0,0,0|1,0,1]=4 5135 B11R0.3 CCCCOCCNCOCC 7e5434f0986eb951dfbb826d86726bf5 [1,1,0,0,0,0|1,0,1]=4 5136 B11R0.3 CCCCOCCOCCCC 88ee9046b462e34e38ad1fa133d32a9f [1,1,0,0,0,0|0,0,1]=3 5137 B11R0.3 CCCCOCCOCCCF 67a8b9f90f61c5b696c0e769e1650ee3 [1,1,0,0,0,0|1,0,1]=4 5138 B11R0.3 CCCCOCCOCCCS 8ab0046d0bc1b4753b456e54748a35fb [1,1,0,0,0,0|1,0,1]=4 5139 B11R0.3 CCCCOCCOCCOC 923922a189376a515952b31891623c1e [1,1,0,0,0,0|1,0,1]=4 5140 B11R0.3 CCCCOCCOCCSC 6604f7a0b6a290748961ba63d789af97 [1,1,0,0,0,0|1,0,1]=4 5141 B11R0.3 CCCCOCCOCOCC f82e6865445c9337c364f9a4f514fb7d [1,1,0,0,0,0|1,0,1]=4 5142 B11R0.3 CCCCOCCSCCCC 19ce1b75291094b8e50f1ed55e16a1aa [1,1,0,0,0,0|0,0,1]=3 5143 B11R0.3 CCCCOCNCCCCCl 2083d1f6a01d3bbeb19583d2ac06cf3e [1,1,0,0,0,0|1,0,1]=4 5144 B11R0.3 CCCCOCNCCCCO 70ef0ffa58df078c8e0d364ca5d503e8 [1,1,0,0,0,0|1,0,1]=4 5145 B11R0.3 CCCCOCNCCCCS d9ad9735824628eb14477f107a521ad7 [1,1,0,0,0,0|1,0,1]=4 5146 B11R0.3 CCCCOCNCCCOC bbcad5319992154d570147bcb94bc228 [1,1,0,0,0,0|1,0,1]=4 5147 B11R0.3 CCCCOCNCCCSC 5beec60a377e386c670de898128ff041 [1,1,0,0,0,0|1,0,1]=4 5148 B11R0.3 CCCCOCNCCOCC 2a391b47dfa3dda3891e9d0ea1f90e0b [1,1,0,0,0,0|1,0,1]=4 5149 B11R0.3 CCCCOCNCCSCC 1ddab26a0b967a95f1e37e10e1845100 [1,1,0,0,0,0|1,0,1]=4 5150 B11R0.3 CCCCOCOCCCCF 8a3f7db58a0d7fc59a42a0b63bf0cd46 [1,1,0,0,0,0|1,0,1]=4 5151 B11R0.3 CCCCOCOCCCCS 82d4bbf28ed192aac2700a45952c3bfa [1,1,0,0,0,0|1,0,1]=4 5152 B11R0.3 CCCCOCOCCCOC a8db1f776d3a406aa0dbda6d3dbbf77c [1,1,0,0,0,0|1,0,1]=4 5153 B11R0.3 CCCCOCOCCCSC ab3731fc3f8e0d7432fbe164c1856906 [1,1,0,0,0,0|1,0,1]=4 5154 B11R0.3 CCCCOCOCCOCC 0c321a4cf0739ae4f240c3159fa215bb [1,1,0,0,0,0|1,0,1]=4 5155 B11R0.3 CCCCOCOCCSCC e73c02b10b04ed5d1b1d1a047c182161 [1,1,0,0,0,0|1,0,1]=4 5156 B11R0.3 CCCCSCCOCCCF df5cde64992cb7020d157be2237c7440 [1,1,0,0,0,0|1,0,1]=4 5157 B11R0.3 CCCCSCCOCCCS ef7b60ce538d96620cd7e228ba9d4bbb [1,1,0,0,0,0|1,0,1]=4 5158 B11R0.3 CCCCSCCOCCOC 674bddb10bd38c518ddd8f984d38b6e3 [1,1,0,0,0,0|1,0,1]=4 5159 B11R0.3 CCCCSCCOCCSC 7b00428115bce5dc4a4966853868cd71 [1,1,0,0,0,0|1,0,1]=4 5160 B11R0.3 CCCCSCCOCOCC f08d74cf071e53504960bc65842cfeb5 [1,1,0,0,0,0|1,0,1]=4 5161 B11R0.3 CCCNCCCCCCCO b9bdd5d4ba49cb40d08e76ab3ff5907d [1,1,0,0,0,0|2,0,0]=4 5162 B11R0.3 CCCNCCCCCCOC 4cc724ecdc92cad169e909d861e0a8d7 [1,1,0,0,0,0|2,0,0]=4 5163 B11R0.3 CCCNCCCCSCCC 1bd349d17770da69cd8537cdf810b463 [1,1,0,0,0,0|2,0,0]=4 5164 B11R0.3 CCCNCCCOCCCO cc7c88677b085dca732d7c038ed7b397 [1,1,0,0,0,0|1,0,1]=4 5165 B11R0.3 CCCNCCCOCCOC 21a2b60576f7180e2609bc7903a80cb8 [1,1,0,0,0,0|1,0,1]=4 5166 B11R0.3 CCCNCCCOCCSC 6db91c6065de8432960aceeb2e22237b [1,1,0,0,0,0|1,0,1]=4 5167 B11R0.3 CCCNCCOCCOCC dd01d37482fc2261d9be247d1bf7d59c [1,1,0,0,0,0|1,0,1]=4 5168 B11R0.3 CCCOCCCCCCOC d862a222b60c44ec0327d3c88d0db06b [1,1,0,0,0,0|2,0,0]=4 5169 B11R0.3 CCCOCCCOCCCF fead04536b98d0ec4d60d151baedfaed [1,1,0,0,0,0|1,0,1]=4 5170 B11R0.3 CCCOCCCOCCCS 2058ea52a314c12677dd46ae3c5161bb [1,1,0,0,0,0|1,0,1]=4 5171 B11R0.3 CCCOCCCOCCOC b45c1c8965f57a40eddaa52ae89db535 [1,1,0,0,0,0|1,0,1]=4 5172 B11R0.3 CCCOCCCOCCSC f02e1b253d8498cfb3dd746638cfb211 [1,1,0,0,0,0|1,0,1]=4 5173 B11R0.3 CCCOCCOCCCCF c7a9069dfd50ce52e3c8b784baccee2d [1,1,0,0,0,0|1,0,1]=4 5174 B11R0.3 CCCOCCOCCCCS d760be8e31e1485f79c7e0241dfbe160 [1,1,0,0,0,0|1,0,1]=4 5175 B11R0.3 CCCOCCOCCCOC 94a3518c2624d66b851b16c19c06851d [1,1,0,0,0,0|1,0,1]=4 5176 B11R0.3 CCCOCCOCCCSC 5a4b14f13da6370d7cc78906f36d8910 [1,1,0,0,0,0|1,0,1]=4 5177 B11R0.3 CCCOCCOCCOCC 216199852210171a852cee3ed24f0cd9 [1,1,0,0,0,0|1,0,1]=4 5178 B11R0.3 CCCOCCOCCSCC 69568cd4359f040168ba8a11aa36263c [1,1,0,0,0,0|1,0,1]=4 5179 B11R0.3 CCCSCCOCCCCF 0f749b58d82b95fb3c028431be70133d [1,1,0,0,0,0|1,0,1]=4 5180 B11R0.3 CCCSCCOCCCOC 25d46a14a7f6e4679d7def9488b4cac6 [1,1,0,0,0,0|1,0,1]=4 5181 B11R0.3 CCCSCCOCCCSC 1b6b02389424efbd8c409790507a9b51 [1,1,0,0,0,0|1,0,1]=4 5182 B11R0.3 CCCSCCOCCOCC dfddf07b0ffcfb1fe4e06738a0bf8f0a [1,1,0,0,0,0|1,0,1]=4 5183 B11R0.3 CCCSCCOCCSCC 55e4c1503103e5cc6a5b31ffc4df388f [1,1,0,0,0,0|1,0,1]=4 5184 B11R0.3 CCNCCCCOCCOC 3ca0e5ea4c8eb0fa45b4a07e1fe0ea11 [1,1,0,0,0,0|1,0,1]=4 5185 B11R0.3 CCOCCCOCCCCF 3271ee24b75a7a7849d69fe84142dfd2 [1,1,0,0,0,0|1,0,1]=4 5186 B11R0.3 CCOCCCOCCCCS 44e0897e9fc7f97388381f9de6e05e6d [1,1,0,0,0,0|1,0,1]=4 5187 B11R0.3 CCOCCCOCCCOC 40182d05191b497fff008d827a9d32f2 [1,1,0,0,0,0|1,0,1]=4 5188 B11R0.3 CCOCCCOCCCSC 0f83e1119c68104926e8ec44720da875 [1,1,0,0,0,0|1,0,1]=4 5189 B11R0.3 CCOCCCOCCOCC 3b74ed71e97167ba2616a8fefee021c4 [1,1,0,0,0,0|1,0,1]=4 5190 B11R0.3 CCOCCCOCCSCC 5f71b4605e4476d14c8e844089a8fc57 [1,1,0,0,0,0|1,0,1]=4 5191 B11R0.3 CCOCCOCCCCCF 9d685e8165aff605209a936844c31f52 [1,1,0,0,0,0|1,0,1]=4 5192 B11R0.3 CCOCCOCCCCOC d48c9952f9e6a97996c51898e03bbbe8 [1,1,0,0,0,0|1,0,1]=4 5193 B11R0.3 CCOCCOCCCCSC d536f941d8362407f26baf6febd9b15f [1,1,0,0,0,0|1,0,1]=4 5194 B11R0.3 CCOCCOCCCSCC 199e5695527247a2dde4b82b56782bc8 [1,1,0,0,0,0|1,0,1]=4 5195 B11R0.3 CCOCOCCCCCCF da3ccda5898c5ff5a7fd36c036ea136b [1,1,0,0,0,0|1,0,1]=4 5196 B11R0.3 CCOCOCCCCCCS 76b3989c316783ec373f2b83c7a231a1 [1,1,0,0,0,0|1,0,1]=4 5197 B11R0.3 CCSCCCOCCCCF 377874639339be73bce6d9bd8a563987 [1,1,0,0,0,0|1,0,1]=4 5198 B11R0.3 CCSCCCOCCCCS 85f63a92aeb2475bacfe44fe435e1b1f [1,1,0,0,0,0|1,0,1]=4 5199 B11R0.3 CCSCCCOCCCOC 61f946ed070d067f58774f47c5427ef0 [1,1,0,0,0,0|1,0,1]=4 5200 B11R0.3 CCSCCCOCCCSC 889ca8c82ca2f4946c44e5f9fce097a8 [1,1,0,0,0,0|1,0,1]=4 5201 B11R0.3 CCSCCCOCCSCC 61c9206b8867585fb48fcbc126635161 [1,1,0,0,0,0|1,0,1]=4 5202 B11R0.3 CCSCCOCCCCCF 1e35344b6f7f81019a0a58c1847e7ca1 [1,1,0,0,0,0|1,0,1]=4 5203 B11R0.3 CCSCCOCCCCOC 45721489c9dbc6702653b5c114e9fd50 [1,1,0,0,0,0|1,0,1]=4 5204 B11R0.3 CCSCCOCCCCSC 19a57dd16e0c2584fe21798ed5140e5c [1,1,0,0,0,0|1,0,1]=4 5205 B11R0.3 COCCCCCOCCCF 902e1780f14ffb3e81c78f20d2f302a6 [1,1,0,0,0,0|1,0,1]=4 5206 B11R0.3 COCCCCCOCCCS 56668d5d554d73624d3313f15e475ffa [1,1,0,0,0,0|1,0,1]=4 5207 B11R0.3 COCCCCCOCCOC c5a5b4c7a76488e6eb9713fb8b50997a [1,1,0,0,0,0|1,0,1]=4 5208 B11R0.3 COCCCCCOCCSC 7529523b00836f5486ad9b330e783a38 [1,1,0,0,0,0|1,0,1]=4 5209 B11R0.3 COCCCCOCCCCF 10a1ee1e00b076cb4b21e7dc6073be29 [1,1,0,0,0,0|1,0,1]=4 5210 B11R0.3 COCCCCOCCCCS a184c313f94ac4f21e1688c1f5f859b9 [1,1,0,0,0,0|1,0,1]=4 5211 B11R0.3 COCCCCOCCCOC c52e5a6cb0ebc7dead591809feea9760 [1,1,0,0,0,0|1,0,1]=4 5212 B11R0.3 COCCCCOCCCSC 53fed3fdeda439d0b8e349222ff25f1e [1,1,0,0,0,0|1,0,1]=4 5213 B11R0.3 COCCCOCCCCCF d70a2032399079e91d919f3b89c2db2d [1,1,0,0,0,0|1,0,1]=4 5214 B11R0.3 COCCCOCCCCSC 5740e23f74c6e43e7b7338c8c0638c77 [1,1,0,0,0,0|1,0,1]=4 5215 B11R0.3 COCCOCCCCCCF 2335b1c819b29028000587f8a469db87 [1,1,0,0,0,0|1,0,1]=4 5216 B11R0.3 COCCOCCCCCCS 7096f857c8a8b57294e2d1eaf01a80c7 [1,1,0,0,0,0|1,0,1]=4 5217 B11R0.3 CSCCCCOCCCCF 17f802799f9b09ef8e200f69853ecf5d [1,1,0,0,0,0|1,0,1]=4 5218 B11R0.3 CSCCCCOCCCSC 679bb20bfa56a89ca119039dd4ebb941 [1,1,0,0,0,0|1,0,1]=4 5219 B11R0.3 CSCCCOCCCCCF 24979f7f2d4a94b05056c86f88a2ed92 [1,1,0,0,0,0|1,0,1]=4 5220 B11R0.3 CSCCOCCCCCCF 9fc846c15af2505341f2c7ba105e10b1 [1,1,0,0,0,0|1,0,1]=4 5221 B11R0.3 CSCCOCCCCCCS 137dc4fd1b3017ebfa61f46b29486a24 [1,1,0,0,0,0|1,0,1]=4 5222 B11R0.3 FCCCCCCOCCCF c703367db84392421c3718576f202890 [1,1,0,0,0,0|1,0,1]=4 5223 B11R0.3 FCCCCCCOCCCS 87488260d56782ca393e3a9d0fba9192 [1,1,0,0,0,0|1,0,1]=4 5224 B11R0.3 FCCCCCOCCCCF 64402fa647737470d07cdeef07303978 [1,1,0,0,0,0|1,0,1]=4 5225 B11R0.3 FCCCCCOCCCCS 3d1c6d8abc4b2d50396deb16ee6eb45b [1,1,0,0,0,0|1,0,1]=4 5226 B11R0.3 FCCCOCCCCCCS d804242ab0187adf2d24276c9e542c95 [1,1,0,0,0,0|1,0,1]=4 5227 B11R0.3 SCCCCCCOCCCS 73575d5752e0cce9ba8d51bed17d670f [1,1,0,0,0,0|1,0,1]=4 5228 B11R0.40 C=C(CC)COCCCCCC 212d40314ce0351be00200277ccfea95 [1,1,0,0,0,0|0,0,2]=4 5229 B11R0.40 CCC(C)CCCOCCCF 6d12c5f4e26bfc0a7761c468e56d221d [1,1,0,0,0,0|1,0,1]=4 5230 B11R0.40 CCC(C)CCCOCCCS b0cdb94e9a515755029ea0b01c419037 [1,1,0,0,0,0|1,0,1]=4 5231 B11R0.40 CCC(C)CCCOCCOC 37a40db2de0b4adba910e2dae020cb85 [1,1,0,0,0,0|1,0,1]=4 5232 B11R0.40 CCC(C)CCCOCCSC f4242b2115bc6718da23a3ee02198eb8 [1,1,0,0,0,0|1,0,1]=4 5233 B11R0.40 CCC(C)COCCCCCF f7f4fa21036fccc0bb9b5ffbc88cd324 [1,1,0,0,0,0|1,0,1]=4 5234 B11R0.40 CCC(C)COCCCCOC abcb3de8103db808663a0d292ef3fec1 [1,1,0,0,0,0|1,0,1]=4 5235 B11R0.40 CCC(C)COCCCCSC 5e8e05b8cbc2a6b7685c875e33897845 [1,1,0,0,0,0|1,0,1]=4 5236 B11R0.40 CCC/C=C/CNCC(C)CC b4fb6507df2c06e73c64e330fc1b1559 [1,1,0,0,0,0|2,0,0]=4 5237 B11R0.40 CCC/C=C/CNCC(O)CC 2d20fef61051dfb3f61dacbedf5e3da7 [1,1,0,0,0,0|2,0,0]=4 5238 B11R0.40 CCC/C=C/CNC[C@@H](C)CC d236eef3953719f38902ac7be9ffd0a9 [1,1,0,0,0,0|2,0,0]=4 5239 B11R0.40 CCC/C=C/CNC[C@H](O)CC 686fd8e6a2be91afd6f74695e004c2e0 [1,1,0,0,0,0|2,0,0]=4 5240 B11R0.40 CCC/C=C/COCC(C)CC deab396c5eae60a017b4c7da9874db44 [1,1,0,0,0,0|2,0,0]=4 5241 B11R0.40 CCC/C=C/COC[C@@H](C)CC 6dbdefb9ae474bc1e56f932e5d864f8b [1,1,0,0,0,0|2,0,0]=4 5242 B11R0.40 CCC/C=C/COC[C@H](C)CC 87004b804d8c4dd7cb65b8ff361e2d47 [1,1,0,0,0,0|2,0,0]=4 5243 B11R0.40 CCC/C=C\CCOC(C)CC 13d87a7ea326f930dfa93405269ec40e [1,1,0,0,0,0|2,0,0]=4 5244 B11R0.40 CCC/C=C\CNCC(C)CC 48d8c6acc6321caeff54253d293ec5c6 [1,1,0,0,0,0|2,0,0]=4 5245 B11R0.40 CCC/C=C\CNCC(O)CC 94ad763b6b1a42e52311dbad06bfb3d2 [1,1,0,0,0,0|2,0,0]=4 5246 B11R0.40 CCC/C=C\CNC[C@@H](C)CC 92bbaf021b30ca7059c9ec2eef8a2a1f [1,1,0,0,0,0|2,0,0]=4 5247 B11R0.40 CCC/C=C\CNC[C@H](O)CC 2487489daeea3c26baa941d59f42f382 [1,1,0,0,0,0|2,0,0]=4 5248 B11R0.40 CCC/C=C\COCC(C)CC 66ce29a4e5db2f268ca30e43e5ca7843 [1,1,0,0,0,0|2,0,0]=4 5249 B11R0.40 CCC/C=C\COC[C@@H](C)CC 47ade8b32f2f7719798946fe9a714663 [1,1,0,0,0,0|2,0,0]=4 5250 B11R0.40 CCC/C=C\COC[C@H](C)CC 60fe1a88d1eee552415ad75e60066572 [1,1,0,0,0,0|2,0,0]=4 5251 B11R0.40 CCCCCCCNC(C)CC cbf73479e36ba1e611759b8e20718943 [1,1,0,0,0,0|2,0,0]=4 5252 B11R0.40 CCCCCCCN[C@@H](C)CC 4d47df41fb10c25db19b8d789bb0fa39 [1,1,0,0,0,0|2,0,0]=4 5253 B11R0.40 CCCCCCCN[C@H](C)CC 14a2672f5da39dc9903f0a993d430a49 [1,1,0,0,0,0|2,0,0]=4 5254 B11R0.40 CCCCCCCOC(C)CC 6f462436b85702b86a9a4948e40c840e [1,1,0,0,0,0|2,0,0]=4 5255 B11R0.40 CCCCCCCO[C@@H](C)CC 073eaf419c183bb22e5eb4ff3e2d3471 [1,1,0,0,0,0|2,0,0]=4 5256 B11R0.40 CCCCCCCO[C@H](C)CC 18dcc9c6d5a544923dca00cfdcd1a71c [1,1,0,0,0,0|2,0,0]=4 5257 B11R0.40 CCCCCCNCC(C)CC 541b7f09f955a295f497677498488eff [1,1,0,0,0,0|1,0,1]=4 5258 B11R0.40 CCCCCCNCC(O)CC 8d7147a52bf4359b8af3bb3315b09e14 [1,1,0,0,0,0|1,0,1]=4 5259 B11R0.40 CCCCCCNC[C@@H](C)CC 68d4edba159cbba4ff5b87a512eb6242 [1,1,0,0,0,0|1,0,1]=4 5260 B11R0.40 CCCCCCNC[C@H](C)CC 065ef90959e43fd4f4e87f8da4861551 [1,1,0,0,0,0|1,0,1]=4 5261 B11R0.40 CCCCCCNC[C@H](O)CC a1477a4b6223f7e58a557f5938808421 [1,1,0,0,0,0|1,0,1]=4 5262 B11R0.40 CCCCCCOCC(=O)CC adcf10a6b79c1dbe703e4ef32ea4d479 [1,1,0,0,0,0|0,0,2]=4 5263 B11R0.40 CCCCCCOCC(Br)CBr a147e78afb0511d5f06c7a08bacb05e4 [1,1,0,0,0,0|1,0,1]=4 5264 B11R0.40 CCCCCCOCC(C)CC 294c1888133227e411be7da45a70fe59 [1,1,0,0,0,0|0,0,1]=3 5265 B11R0.40 CCCCCCOCC(C)OC a0fa230585bca5f2e00c13371d45b4f7 [1,1,0,0,0,0|1,0,1]=4 5266 B11R0.40 CCCCCCOCC(Cl)CCl 078a3b7279a5872d1d7cb665b3bccb3e [1,1,0,0,0,0|1,0,1]=4 5267 B11R0.40 CCCCCCOCC(O)CO ddf18778675217e7bedbbd4889e96847 [1,1,0,0,0,0|1,0,1]=4 5268 B11R0.40 CCCCCCOCC(S)CS a7a79bb999c7964a9f8ed5e23c6c3d60 [1,1,0,0,0,0|1,0,1]=4 5269 B11R0.40 CCCCCCOC[C@@H](C)CC 7a34854015376dd35c76611247837dcd [1,1,0,0,0,0|0,0,1]=3 5270 B11R0.40 CCCCCCOC[C@@H](C)OC eea6b16218526f0f26da2e08c85b1bb6 [1,1,0,0,0,0|1,0,1]=4 5271 B11R0.40 CCCCCCOC[C@@H](O)CO 4d2a9898ffd605a1a0642c3fd8b092c2 [1,1,0,0,0,0|1,0,1]=4 5272 B11R0.40 CCCCCCOC[C@H](C)CC 53fba9bfd93796feed62ca3c5d4edcf4 [1,1,0,0,0,0|0,0,1]=3 5273 B11R0.40 CCCCCCOC[C@H](C)OC 30171bb57d76d51c5ab163cee13542db [1,1,0,0,0,0|1,0,1]=4 5274 B11R0.40 CCCCCCOC[C@H](O)CO a86fe3adbba81d9c2d7853bccbcc0904 [1,1,0,0,0,0|1,0,1]=4 5275 B11R0.40 CCCCOCCCC(C)CC fdc21db0a6b52d06816d039b3c2c0598 [1,1,0,0,0,0|0,0,1]=3 5276 B11R0.40 CCCCOCCCN(C)CC 24084a2a6011e8fff1a5288c645b3486 [1,1,0,0,0,0|1,0,1]=4 5277 B11R0.40 CCCCOCCC[C@@H](C)CC 469947569426a21ca95d00148d90fdb3 [1,1,0,0,0,0|0,0,1]=3 5278 B11R0.40 CCCCOCCNC(C)CC 2ad18a7530cdb41a8c96c481894ffbb3 [1,1,0,0,0,0|1,0,1]=4 5279 B11R0.40 CCCCOCCN[C@@H](C)CC 2d6ed37afd1974444ef8971d2c2f7715 [1,1,0,0,0,0|1,0,1]=4 5280 B11R0.40 CCCCOCCN[C@H](C)CC ddf0425e26710f763f7602b740759e78 [1,1,0,0,0,0|1,0,1]=4 5281 B11R0.40 CCCCOCCOC(C)CC 9237fbaad0e6eb5b12988b27db98ec5d [1,1,0,0,0,0|1,0,1]=4 5282 B11R0.40 CCCCOCCO[C@@H](C)CC ac5e59820a6738b0baf48e009e2aad88 [1,1,0,0,0,0|1,0,1]=4 5283 B11R0.40 CCCCOCCO[C@H](C)CC 6083ee7fb818d25b55dc69dba9f01eb6 [1,1,0,0,0,0|1,0,1]=4 5284 B11R0.40 CCCCOCNCC(C)CC e47e56e03591422a5169878a1f0e230c [1,1,0,0,0,0|1,0,1]=4 5285 B11R0.40 CCCCOCNCC(O)CC d47e03d455646f1083b1673b1b146657 [1,1,0,0,0,0|1,0,1]=4 5286 B11R0.40 CCCCOCNC[C@@H](C)CC 6d539e374a6ad4e186876f5f935b48e6 [1,1,0,0,0,0|1,0,1]=4 5287 B11R0.40 CCCCOCNC[C@H](O)CC 4f977f028d2b7f9b83a1a2d2d521a416 [1,1,0,0,0,0|1,0,1]=4 5288 B11R0.40 CCCCOCOCC(C)CC 0295482db174ef9e6a36c7a38dca66c3 [1,1,0,0,0,0|1,0,1]=4 5289 B11R0.40 CCCCOCOC[C@@H](C)CC 217cadecc19c90b54764d63e5f461744 [1,1,0,0,0,0|1,0,1]=4 5290 B11R0.40 CCCCOCOC[C@H](C)CC f43218f1559183b58ceafd1ef9c6970e [1,1,0,0,0,0|1,0,1]=4 5291 B11R0.40 CCCOCCCCC(C)CC a4fcb600c49b60d0b6063c4ec4509954 [1,1,0,0,0,0|2,0,0]=4 5292 B11R0.40 CCCOCCCC[C@@H](C)CC 97d26e78af044b2919709b8640615273 [1,1,0,0,0,0|2,0,0]=4 5293 B11R0.40 CCCOCCOCC(C)CC 23905675ad629848afe996f6fa1e1c10 [1,1,0,0,0,0|1,0,1]=4 5294 B11R0.40 CCCOCCOC[C@@H](C)CC 39e30c9a0cf88fea98437a4adfd5cf63 [1,1,0,0,0,0|1,0,1]=4 5295 B11R0.40 CCCOCCOC[C@H](C)CC b7e63a66c91877105cd7467b3c5962af [1,1,0,0,0,0|1,0,1]=4 5296 B11R0.40 CCCSCCOCC(C)CC 439c059fc232ec8866f448e4dbdf82f2 [1,1,0,0,0,0|1,0,1]=4 5297 B11R0.40 CCCSCCOC[C@@H](C)CC dc3fc5eb975baf94a28dd77c9dee91fd [1,1,0,0,0,0|1,0,1]=4 5298 B11R0.40 CCCSCCOC[C@H](C)CC c15b871556ddb65a4a15e9e3ba367118 [1,1,0,0,0,0|1,0,1]=4 5299 B11R0.40 CCOCCCOCC(C)CC f37ed7d9a227d13d5634ff1da71a6778 [1,1,0,0,0,0|1,0,1]=4 5300 B11R0.40 CCOCCCOC[C@@H](C)CC 2d7b84e0a7206d5d52c56fbe3eba5260 [1,1,0,0,0,0|1,0,1]=4 5301 B11R0.40 CCOCCCOC[C@H](C)CC 4a73d16f6aad0d2bd7e00ce3bc91e244 [1,1,0,0,0,0|1,0,1]=4 5302 B11R0.40 CCOCOCCCC(C)CC 70af429d3bc2fed6e4369a9ea7a0fa9f [1,1,0,0,0,0|1,0,1]=4 5303 B11R0.40 CCOCOCCC[C@@H](C)CC 55118c495bc599506d5b6bf702bb64e4 [1,1,0,0,0,0|1,0,1]=4 5304 B11R0.40 CCSCCCOCC(C)CC 94d6a755eebcd1acdf57f6a27ff4028d [1,1,0,0,0,0|1,0,1]=4 5305 B11R0.40 CCSCCCOC[C@@H](C)CC 767ea8242cc944fc0cbb0febf98e032e [1,1,0,0,0,0|1,0,1]=4 5306 B11R0.40 CCSCCCOC[C@H](C)CC 66d5a5499337e2a3148e1a9bda28d394 [1,1,0,0,0,0|1,0,1]=4 5307 B11R0.40 CC[C@@H](C)COCCCCCF 73b56ffc531ebda6d4601b5e8763c195 [1,1,0,0,0,0|1,0,1]=4 5308 B11R0.40 CC[C@@H](C)COCCCCOC 64c7794261467adf678b3022f26b6c02 [1,1,0,0,0,0|1,0,1]=4 5309 B11R0.40 CC[C@@H](C)COCCCCSC 722406ee1044d5815c9b9bc3f5c3e1a7 [1,1,0,0,0,0|1,0,1]=4 5310 B11R0.40 CC[C@H](C)CCCOCCCF 832686eb263b15a89d2e5df54ce134c9 [1,1,0,0,0,0|1,0,1]=4 5311 B11R0.40 CC[C@H](C)CCCOCCCS c464a91febc21f92a9fb16962aabed8f [1,1,0,0,0,0|1,0,1]=4 5312 B11R0.40 CC[C@H](C)CCCOCCOC acb5a9539d7ece8efb73239716ad9c09 [1,1,0,0,0,0|1,0,1]=4 5313 B11R0.40 CC[C@H](C)CCCOCCSC d7421f3fa32744dfd8c89b562f1febe7 [1,1,0,0,0,0|1,0,1]=4 5314 B11R0.40 CC[C@H](C)COCCCCCF 8582d43ddadef7e712645b51dd4cefbe [1,1,0,0,0,0|1,0,1]=4 5315 B11R0.40 CC[C@H](C)COCCCCOC f3540347cfcf680ff2cf51f0b618bf41 [1,1,0,0,0,0|1,0,1]=4 5316 B11R0.40 CC[C@H](C)COCCCCSC 5537e926f611ed28b06bedb86e3e0005 [1,1,0,0,0,0|1,0,1]=4 5317 B11R0.140 CCCCCC(C)COCCC e611647d8511f40641ce15108dbc184c [1,1,0,0,0,0|2,0,0]=4 5318 B11R0.140 CCCCCC(C)NCCCC 9cf51aeb7bb493ad3dd8f6014e839675 [1,1,0,0,0,0|1,0,1]=4 5319 B11R0.140 CCCCCC(C)OCCCC 8a76446f0e285bd36a48a8d4c0c453d8 [1,1,0,0,0,0|0,0,1]=3 5320 B11R0.140 CCCCCC(C)OCCCF af3c9d7ac023d74404e5924b271ad6a1 [1,1,0,0,0,0|1,0,1]=4 5321 B11R0.140 CCCCCC(C)OCCCS 64e43f0c4600cdbeda7011f6ac422054 [1,1,0,0,0,0|1,0,1]=4 5322 B11R0.140 CCCCCC(C)OCCOC fe2352d541dfe6afb562c5239062c49c [1,1,0,0,0,0|1,0,1]=4 5323 B11R0.140 CCCCCC(C)OCCSC ad005d5bb77c3394b16814bde151db6c [1,1,0,0,0,0|1,0,1]=4 5324 B11R0.140 CCCCC[C@@H](C)OCCCC e4672e1cdf0741af9395631f9acfa8ae [1,1,0,0,0,0|0,0,1]=3 5325 B11R0.140 CCCCC[C@@H](C)OCCCF 947a200163ddd103689858af03c8fa82 [1,1,0,0,0,0|1,0,1]=4 5326 B11R0.140 CCCCC[C@@H](C)OCCCS f8f162d02601cdcdbf5406c55d35334f [1,1,0,0,0,0|1,0,1]=4 5327 B11R0.140 CCCCC[C@@H](C)OCCOC a1e09d1892506018d0d3ba1d7bccfcb4 [1,1,0,0,0,0|1,0,1]=4 5328 B11R0.140 CCCCC[C@@H](C)OCCSC 4672d3bd14f2fc2d8e5f9d73df823b8b [1,1,0,0,0,0|1,0,1]=4 5329 B11R0.140 CCCCC[C@H](C)NCCCC 44052af2bf03dfdfdd8813c66ebb23ff [1,1,0,0,0,0|1,0,1]=4 5330 B11R0.140 CCCCC[C@H](C)OCCCC 364f0fd5e9c64b042cb4e7a98c79d828 [1,1,0,0,0,0|0,0,1]=3 5331 B11R0.140 CCCCC[C@H](C)OCCCF 3a9219a69c14b20f09b1d58065125e23 [1,1,0,0,0,0|1,0,1]=4 5332 B11R0.140 CCCCC[C@H](C)OCCCS 9ad2cb2cfbf28b2ad6f675b606fd325a [1,1,0,0,0,0|1,0,1]=4 5333 B11R0.140 CCCCC[C@H](C)OCCOC ec21f6e9d45788a089670d7a49b9ac50 [1,1,0,0,0,0|1,0,1]=4 5334 B11R0.140 CCCCC[C@H](C)OCCSC 0111ad70432ee4950251dc7169d7e139 [1,1,0,0,0,0|1,0,1]=4 5335 B11R0.140 CCCCOC(C)COCCC 605a87a976b02b2b9e805fbdea0660ac [1,1,0,0,0,0|1,0,1]=4 5336 B11R0.148 C=C(C)CCOCCCCCC f3b42b02f97b5ae546a5d0ce100d5f9b [1,1,0,0,0,0|0,0,2]=4 5337 B11R0.148 CC(C)CCCCOCCCF f22022e643c6f9df748ddfda7066398d [1,1,0,0,0,0|1,0,1]=4 5338 B11R0.148 CC(C)CCCCOCCCS f157574aeb835abda8a836a9bb318fe8 [1,1,0,0,0,0|1,0,1]=4 5339 B11R0.148 CC(C)CCOCCCCCF 263dc4239d195e2d75744d8b8f7dca45 [1,1,0,0,0,0|1,0,1]=4 5340 B11R0.148 CCC/C=C/CCCOC(C)C fca6975d48f6ae32f4a3c200341884fd [1,1,0,0,0,0|2,0,0]=4 5341 B11R0.148 CCC/C=C/CNCCC(C)C 6f8c333c26a56543fa151f740e3c6e90 [1,1,0,0,0,0|2,0,0]=4 5342 B11R0.148 CCC/C=C/CNCCC(C)O 89fad9391cc06b506b7c0ec51c8d288b [1,1,0,0,0,0|2,0,0]=4 5343 B11R0.148 CCC/C=C/CNCC[C@@H](C)O 22cae726a89ef20c7dc05a17dbd382ed [1,1,0,0,0,0|2,0,0]=4 5344 B11R0.148 CCC/C=C/CNCC[C@H](C)O 1958e30635c0e57ac10c4c45d0cb9b1a [1,1,0,0,0,0|2,0,0]=4 5345 B11R0.148 CCC/C=C/COCCC(C)C 6d75d8990c157242cfcc3b961a9d1a1a [1,1,0,0,0,0|2,0,0]=4 5346 B11R0.148 CCC/C=C\CCCOC(C)C f838c4d4cc1e4b0f7f5c96ce294b04d4 [1,1,0,0,0,0|2,0,0]=4 5347 B11R0.148 CCC/C=C\CCOCC(C)C b74dab49cada38c15b5404cab4868f85 [1,1,0,0,0,0|2,0,0]=4 5348 B11R0.148 CCC/C=C\CNCCC(C)C 7ea17bd0cd2a7709c492e168a283ec80 [1,1,0,0,0,0|2,0,0]=4 5349 B11R0.148 CCC/C=C\CNCCC(C)O e8db7340212b5e0da4cf4275df7cb386 [1,1,0,0,0,0|2,0,0]=4 5350 B11R0.148 CCC/C=C\CNCC[C@@H](C)O 3025fedac0f9544a202214dee6dd5c78 [1,1,0,0,0,0|2,0,0]=4 5351 B11R0.148 CCC/C=C\CNCC[C@H](C)O 89aff8df427ff1b6c6f7e53bfa2ac462 [1,1,0,0,0,0|2,0,0]=4 5352 B11R0.148 CCC/C=C\COCCC(C)C c5479b045151e057ab4dc16410f97d0c [1,1,0,0,0,0|2,0,0]=4 5353 B11R0.148 CCCCCCCNCC(C)C a6f5f3319ec648228042e08d701693df [1,1,0,0,0,0|2,0,0]=4 5354 B11R0.148 CCCCCCCNCC(C)O 4ec41632ad94b262d50d201b12eea63c [1,1,0,0,0,0|2,0,0]=4 5355 B11R0.148 CCCCCCCNC[C@@H](C)O 2f370e1df4cf53b1cc448becf8319123 [1,1,0,0,0,0|2,0,0]=4 5356 B11R0.148 CCCCCCCNC[C@H](C)O ffa725a82af0b73a341a438150dba913 [1,1,0,0,0,0|2,0,0]=4 5357 B11R0.148 CCCCCCCOCC(C)C ad3ae6978b7cab5e4f36953662c27905 [1,1,0,0,0,0|2,0,0]=4 5358 B11R0.148 CCCCCCCOCC(C)F 33a0b8718e62e417560f50061beac913 [1,1,0,0,0,0|2,0,0]=4 5359 B11R0.148 CCCCCCCOCC(C)S 334a25565096fb2521cc4f67349f8197 [1,1,0,0,0,0|2,0,0]=4 5360 B11R0.148 CCCCCCCOC[C@@H](C)F f33eaea45680a42f69cd64fc91fbe87f [1,1,0,0,0,0|2,0,0]=4 5361 B11R0.148 CCCCCCCOC[C@H](C)F ac3873facc4a14eeb0ce41b7cc7d7a71 [1,1,0,0,0,0|2,0,0]=4 5362 B11R0.148 CCCCCCNCCC(C)C 135d433468be89f5a4b50279268055b1 [1,1,0,0,0,0|1,0,1]=4 5363 B11R0.148 CCCCCCNCCC(C)O b61f5b6cff5c878fd1c98373352f3fc1 [1,1,0,0,0,0|1,0,1]=4 5364 B11R0.148 CCCCCCNCC[C@@H](C)O 5073f91f32a9c4b3d6ac7aff2d46c023 [1,1,0,0,0,0|1,0,1]=4 5365 B11R0.148 CCCCCCNCC[C@H](C)O 87478981820d3d93e2f171457dfcd978 [1,1,0,0,0,0|1,0,1]=4 5366 B11R0.148 CCCCCCOCCC(=O)C ba6ca6ffd5fb9c6cc4e8d129cf77ebb5 [1,1,0,0,0,0|0,0,2]=4 5367 B11R0.148 CCCCCCOCCC(C)C f11cf86494cac2c289cc293249eaba1a [1,1,0,0,0,0|0,0,1]=3 5368 B11R0.148 CCCCCCOCCC(F)F 557344c55868e1bf03b2646f878a1ba6 [1,1,0,0,0,0|1,0,1]=4 5369 B11R0.148 CCCCCCOCCN(C)C 95bea298cb2735202435a59ed6005be9 [1,1,0,0,0,0|1,0,1]=4 5370 B11R0.148 CCCCCCOCCS(=O)C 48fd1036c35525fa02a6d7c816b35e4a [1,1,0,0,0,0|1,0,1]=4 5371 B11R0.148 CCCCCCOCOC(C)C d0cfab7370c150d3300d4ffdecfbe6d3 [1,1,0,0,0,0|1,0,1]=4 5372 B11R0.148 CCCCNCCCCC(C)C 1c732e5d1fc6816749b0c146f91075e1 [1,1,0,0,0,0|1,0,1]=4 5373 B11R0.148 CCCCNCCCCC(C)O d25cea83b94c590c11c2a73b0c167344 [1,1,0,0,0,0|1,0,1]=4 5374 B11R0.148 CCCCNCCCC[C@@H](C)O 8b68c1025addda349947f3fed9cd8b0f [1,1,0,0,0,0|1,0,1]=4 5375 B11R0.148 CCCCOCCCCC(=O)C a62f0819767c2537c037059a9981780c [1,1,0,0,0,0|0,0,2]=4 5376 B11R0.148 CCCCOCCCCC(C)C 1e492fd7051ff99c89865c3fbb9848e2 [1,1,0,0,0,0|0,0,1]=3 5377 B11R0.148 CCCCOCCCCN(C)C 0e9610248df441680a4fc5f7ea14afab [1,1,0,0,0,0|1,0,1]=4 5378 B11R0.148 CCCCOCCCNC(C)C be24f3e51730bf2a1d3254b17a45253c [1,1,0,0,0,0|1,0,1]=4 5379 B11R0.148 CCCCOCCCOC(C)C 62f253282cb71fb27b7ae7e331b7477f [1,1,0,0,0,0|1,0,1]=4 5380 B11R0.148 CCCCOCCCSC(C)C 33daf7cd7c111a6e93bc3cafba8e57aa [1,1,0,0,0,0|1,0,1]=4 5381 B11R0.148 CCCCOCCNCC(C)C f900ac3cf749acf7a9648cc6b643bbdf [1,1,0,0,0,0|1,0,1]=4 5382 B11R0.148 CCCCOCCNCC(C)O 21638369de26bd8dcdd1ce22cb7c6542 [1,1,0,0,0,0|1,0,1]=4 5383 B11R0.148 CCCCOCCNC[C@@H](C)O 22110216e6ac6ac22cb317487440a16a [1,1,0,0,0,0|1,0,1]=4 5384 B11R0.148 CCCCOCCNC[C@H](C)O 9b5446281ca28925eafc13772c4e97e0 [1,1,0,0,0,0|1,0,1]=4 5385 B11R0.148 CCCCOCCOCC(C)C 5bc69058925797cabf7942443b63928e [1,1,0,0,0,0|1,0,1]=4 5386 B11R0.148 CCCCOCCOCC(C)F 33d58cdb98a277b610b30f3887a906f3 [1,1,0,0,0,0|1,0,1]=4 5387 B11R0.148 CCCCOCCOCC(C)S 04a9838538e25eadb743d754de09f222 [1,1,0,0,0,0|1,0,1]=4 5388 B11R0.148 CCCCOCCOC[C@@H](C)F ff20953b20567232b484ae3fd3c2c370 [1,1,0,0,0,0|1,0,1]=4 5389 B11R0.148 CCCCOCCOC[C@H](C)F dfc57d5b18a7e9ecbbd0556bfc91a76d [1,1,0,0,0,0|1,0,1]=4 5390 B11R0.148 CCCCOCCSCC(C)C 1ca374423b269c3793be941a767760da [1,1,0,0,0,0|1,0,1]=4 5391 B11R0.148 CCCCOCNCCC(C)C 8bdf283e25309f272900fa44e5b8f006 [1,1,0,0,0,0|1,0,1]=4 5392 B11R0.148 CCCCOCNCCC(C)O 148db482aa009f71727e8341be3f6b11 [1,1,0,0,0,0|1,0,1]=4 5393 B11R0.148 CCCCOCNCC[C@@H](C)O e6c1371cbf0bfa6e9c8730efe0b35016 [1,1,0,0,0,0|1,0,1]=4 5394 B11R0.148 CCCCOCNCC[C@H](C)O 1bad416644b19aecf572e308a0d04d6d [1,1,0,0,0,0|1,0,1]=4 5395 B11R0.148 CCCCOCOCCC(C)C 70afb007076813320d9de42f9766d9e9 [1,1,0,0,0,0|1,0,1]=4 5396 B11R0.148 CCCNCCCCCC(C)C eeb48a0dfda96d56a343194a6bdd680b [1,1,0,0,0,0|2,0,0]=4 5397 B11R0.148 CCCOCCCCCC(C)C 6a81fc1dfc051a37e19be46130d38b39 [1,1,0,0,0,0|2,0,0]=4 5398 B11R0.148 CCCOCCOCCC(C)C 767abc8dc4af6e2e6f3740f959b4e8f9 [1,1,0,0,0,0|1,0,1]=4 5399 B11R0.148 CCCSCCOCCC(C)C c04148de964fc8819b4f2f99532d2f51 [1,1,0,0,0,0|1,0,1]=4 5400 B11R0.148 CCOCCCOCCC(C)C 992f0eb2c5913001c3ac6389f786fd77 [1,1,0,0,0,0|1,0,1]=4 5401 B11R0.148 CCOCOCCCCC(C)C 57f453210c8d0ec0d94c7bb57830e1f8 [1,1,0,0,0,0|1,0,1]=4 5402 B11R0.148 CCSCCCOCCC(C)C fba8234ea6757258fbc8a7169452da15 [1,1,0,0,0,0|1,0,1]=4 5403 B11R0.148 COCCCCOCCC(C)C 3eff51dac8b1c7858845964b3f2867d8 [1,1,0,0,0,0|1,0,1]=4 5404 B11R0.148 COCCOCCCCC(C)C 3f48677c33098e09bb5c54bc04c7d8bb [1,1,0,0,0,0|1,0,1]=4 5405 B11R0.148 CSCCCCOCCC(C)C 290ad15488fb48fa2cecb868868d9e29 [1,1,0,0,0,0|1,0,1]=4 5406 B11R0.148 CSCCOCCCCC(C)C 1b0511152ce353affc4112f25b6376b9 [1,1,0,0,0,0|1,0,1]=4 5407 B11R0.42 C=C(C)C(=O)NCCCCCC 68147d1975557dda6de2c0965669be47 [1,1,0,0,0,0|1,0,1]=4 5408 B11R0.42 C=C(C)C(=O)OCCCOCC 821d65e7d8f5737d9c9ebfb214d994d0 [1,1,0,0,0,0|1,0,1]=4 5409 B11R0.42 C=C(C)C(=O)OCCNCCC 2b5d273011d92fe87ae1c522efa06b3c [1,1,0,0,0,0|1,0,1]=4 5410 B11R0.42 C=C(C)C(=O)OCCOCCC f2aa711736d9d61fb0257e6b53903659 [1,1,0,0,0,0|1,0,1]=4 5411 B11R0.42 CC(C)C(=O)OCCOCCF becb46f71cd0a99600816aa2ec3f7a09 [1,1,0,0,0,0|2,0,0]=4 5412 B11R0.42 CC(C)C(=O)OCCOCCS fdeda43271821e0b6aeb89a7d9d1db9a [1,1,0,0,0,0|2,0,0]=4 5413 B11R0.42 CC(C)C(=O)OCNCCCCl 5d4cd757ed22dbd6170a5365da87aaba [1,1,0,0,0,0|2,0,0]=4 5414 B11R0.42 CC(C)C(=O)OCNCCCO d652e18ee89f6bc546ca6d6a36457259 [1,1,0,0,0,0|2,0,0]=4 5415 B11R0.42 CC(C)C(=O)OCOCCCF b64630f34bc6c6787d9370ac1e5d43b5 [1,1,0,0,0,0|2,0,0]=4 5416 B11R0.42 CC(C)C(=O)OCOCCCS 778440d37648f42e81d2dec6d81c90fe [1,1,0,0,0,0|2,0,0]=4 5417 B11R0.42 CC(F)C(=O)NCCCCCCl bee2a212126c5b827d6c3bfc18bb9daa [1,1,0,0,0,0|2,0,0]=4 5418 B11R0.42 CC(F)C(=O)NCCCCCO 655329cf71103340a1c96a571825f242 [1,1,0,0,0,0|2,0,0]=4 5419 B11R0.42 CC(O)C(=O)NCCCCCCl 1d7397d58dff05afba7602fff5a412cc [1,1,0,0,0,0|2,0,0]=4 5420 B11R0.42 CC(O)C(=O)NCCCCCO 9cb0edbf2f795c793c30dd6b720404a3 [1,1,0,0,0,0|2,0,0]=4 5421 B11R0.42 CC(S)C(=O)NCCCCCCl b411952a2eef50d41979b34d56a14ac2 [1,1,0,0,0,0|2,0,0]=4 5422 B11R0.42 CC(S)C(=O)NCCCCCO b189f72e50032b63e78e4a8e979b461c [1,1,0,0,0,0|2,0,0]=4 5423 B11R0.42 CCCCCCNC(=O)C(=O)C b07a5b70d65808d226682db1c7b04c9b [1,1,0,0,0,0|1,0,1]=4 5424 B11R0.42 CCCCCCNC(=O)C(C)F 6879fb44d984d62306eb19467505f520 [1,1,0,0,0,0|1,0,0]=3 5425 B11R0.42 CCCCCCNC(=O)C(C)O c9999e663477499f337d15f0fc5dc538 [1,1,0,0,0,0|1,0,0]=3 5426 B11R0.42 CCCCCCNC(=O)C(C)S dc529f00ff798a00fad813e24d3714d8 [1,1,0,0,0,0|1,0,0]=3 5427 B11R0.42 CCCCCCNC(=O)C(F)F ee460255750ab441c60a530b9ee7a30d [1,1,0,0,0,0|2,0,0]=4 5428 B11R0.42 CCCCCCNC(=O)C(O)O 9ed4e0abdb5f2ef4dbe161c87403fec9 [1,1,0,0,0,0|2,0,0]=4 5429 B11R0.42 CCCCCCNC(=O)[C@@H](C)F c4c684c39982719c5c269be93e10fe82 [1,1,0,0,0,0|1,0,0]=3 5430 B11R0.42 CCCCCCNC(=O)[C@@H](C)O ba2fa53987cf1c1dd463ca418a499b6b [1,1,0,0,0,0|1,0,0]=3 5431 B11R0.42 CCCCCCNC(=O)[C@H](C)F 204d2655ac98577465d8cd3e50ef917b [1,1,0,0,0,0|1,0,0]=3 5432 B11R0.42 CCCCCCNC(=O)[C@H](C)O 74171bc3104db1cb9ab901270291150d [1,1,0,0,0,0|1,0,0]=3 5433 B11R0.42 CCCCCCOC(C)C(C)C 92ec7e7fc91a2aa88641a4b033150788 [1,1,0,0,0,0|1,0,1]=4 5434 B11R0.42 CCCCCCOC(C)C(C)S 9fd7043a2cd562637f692c6e1d62b834 [1,1,0,0,0,0|1,0,1]=4 5435 B11R0.42 CCCCCCO[C@@H](C)C(C)C d8f77a28ab08c1a1ad4b14e03e7b662b [1,1,0,0,0,0|1,0,1]=4 5436 B11R0.42 CCCCCCO[C@H](C)C(C)C 96e84e2df9733338cf9779f6e523a33b [1,1,0,0,0,0|1,0,1]=4 5437 B11R0.42 CCCCCNCC(=O)C(C)C 6848f98519c79609b2c1259a00866e45 [1,1,0,0,0,0|2,0,0]=4 5438 B11R0.42 CCCCCOCC(=O)C(C)C b927efb7008f6fb8a6ad45044aa549b8 [1,1,0,0,0,0|2,0,0]=4 5439 B11R0.42 CCCCNCOC(=O)C(C)C 1f15ec4454500f1ff5936653de618666 [1,1,0,0,0,0|1,0,0]=3 5440 B11R0.42 CCCCOCNC(=O)C(C)C 10b31bb9e483f321b8bfb5b71810a381 [1,1,0,0,0,0|2,0,0]=4 5441 B11R0.42 CCCCOCOC(=O)C(C)C f2f1cb7941a1a460a2293d201b26c30d [1,1,0,0,0,0|1,0,0]=3 5442 B11R0.42 CCCOCCNC(=O)C(C)F 950c8686aacfba5baca1f4f0ada76eef [1,1,0,0,0,0|2,0,0]=4 5443 B11R0.42 CCCOCCNC(=O)C(C)O f6aff21434aaea962861abc3a0e02bda [1,1,0,0,0,0|2,0,0]=4 5444 B11R0.42 CCCOCCNC(=O)C(C)S 731a70809379210fbe8d9901c61b2f18 [1,1,0,0,0,0|2,0,0]=4 5445 B11R0.42 CCCOCCNC(=O)[C@@H](C)F 1a38329dd2d505456f35546f45374734 [1,1,0,0,0,0|2,0,0]=4 5446 B11R0.42 CCCOCCNC(=O)[C@@H](C)O 9ae38f12097083a9fd612ba86af5ea03 [1,1,0,0,0,0|2,0,0]=4 5447 B11R0.42 CCCOCCNC(=O)[C@H](C)F a754ddfa8cfb3bdc66127031e92ef743 [1,1,0,0,0,0|2,0,0]=4 5448 B11R0.42 CCCOCCNC(=O)[C@H](C)O 491620d4f789ce3d0bfa23e27e51ffff [1,1,0,0,0,0|2,0,0]=4 5449 B11R0.42 CCCOCCOC(=O)C(C)C 18acbd40de983c60d8c14c656cc35337 [1,1,0,0,0,0|1,0,0]=3 5450 B11R0.42 CCNCCCNC(=O)C(C)C 93bac482890189a6875cae8ea9f507c4 [1,1,0,0,0,0|2,0,0]=4 5451 B11R0.42 CCOCCCNC(=O)C(C)F 05fbb2f6cf338ee305690cfafc431a26 [1,1,0,0,0,0|2,0,0]=4 5452 B11R0.42 CCOCCCNC(=O)C(C)O e6a13250a45b79ae2334c507efa3d4a5 [1,1,0,0,0,0|2,0,0]=4 5453 B11R0.42 CCOCCCNC(=O)C(C)S f7719128cad03b221030d914aae90760 [1,1,0,0,0,0|2,0,0]=4 5454 B11R0.42 CCOCCCNC(=O)[C@@H](C)F 36a6e25940ba8ca17f73bf5b4bf44a60 [1,1,0,0,0,0|2,0,0]=4 5455 B11R0.42 CCOCCCNC(=O)[C@@H](C)O 8d39bd987b81135b29d2694bfea2ac8e [1,1,0,0,0,0|2,0,0]=4 5456 B11R0.42 CCOCCCNC(=O)[C@H](C)F 0d83044dd69db455738d9265e7511b64 [1,1,0,0,0,0|2,0,0]=4 5457 B11R0.42 CCOCCCNC(=O)[C@H](C)O e510e8fddca5a71f6950170ed0eef476 [1,1,0,0,0,0|2,0,0]=4 5458 B11R0.42 COCCCCNC(=O)C(C)F 29f3b1207773b9324feb4ab626bd433a [1,1,0,0,0,0|2,0,0]=4 5459 B11R0.42 COCCCCNC(=O)C(C)O e45349fcb6f60bc705ead075ca1b227a [1,1,0,0,0,0|2,0,0]=4 5460 B11R0.42 COCCCCNC(=O)C(C)S 9166c37ce30b06b3417901d3e371d8cf [1,1,0,0,0,0|2,0,0]=4 5461 B11R0.42 COCCCCNC(=O)[C@@H](C)F d6e2c44e6cff92e5d0a6636f8cf8dafd [1,1,0,0,0,0|2,0,0]=4 5462 B11R0.42 COCCCCNC(=O)[C@@H](C)O fc8a787a3788fce740b76b256434eaa9 [1,1,0,0,0,0|2,0,0]=4 5463 B11R0.42 COCCCCNC(=O)[C@H](C)F 606072301181330bfe1aecdc5c3a11b5 [1,1,0,0,0,0|2,0,0]=4 5464 B11R0.42 COCCCCNC(=O)[C@H](C)O 08ff3b6aa5fa96c5f8ec5e4c846e7829 [1,1,0,0,0,0|2,0,0]=4 5465 B11R0.42 COCCNCOC(=O)C(C)C a3098478fc2816665769df0b6d4aec93 [1,1,0,0,0,0|2,0,0]=4 5466 B11R0.42 COCCOCOC(=O)C(C)C 2aa84616ce289512c0e7e3810062d595 [1,1,0,0,0,0|2,0,0]=4 5467 B11R0.42 COCOCCOC(=O)C(C)C a9a1cbc4a86061f526ae32120fadce09 [1,1,0,0,0,0|2,0,0]=4 5468 B11R0.42 CSCCCCNC(=O)C(C)F 79de0d0a66d6baec434bda75c77ea295 [1,1,0,0,0,0|2,0,0]=4 5469 B11R0.42 CSCCCCNC(=O)C(C)O d50a75135722d416eaf61eebbf605209 [1,1,0,0,0,0|2,0,0]=4 5470 B11R0.42 CSCCCCNC(=O)C(C)S b66967b1a26a48fdacc8c3c3fa9017c4 [1,1,0,0,0,0|2,0,0]=4 5471 B11R0.42 CSCCCCNC(=O)[C@@H](C)F 2000ec9c09eb2e7b2325459a8a7755ad [1,1,0,0,0,0|2,0,0]=4 5472 B11R0.42 CSCCCCNC(=O)[C@@H](C)O e7b7a9c5b4d753f2758bc424d1db6e40 [1,1,0,0,0,0|2,0,0]=4 5473 B11R0.42 CSCCCCNC(=O)[C@H](C)F 767f10fa3b2dbe804f8fa0f0a090e368 [1,1,0,0,0,0|2,0,0]=4 5474 B11R0.42 CSCCCCNC(=O)[C@H](C)O ef9c01007c956f92bc96b89c3585590e [1,1,0,0,0,0|2,0,0]=4 5475 B11R0.42 CSCCNCOC(=O)C(C)C 5ec191fa6e4cb5598d302d60c98c1fce [1,1,0,0,0,0|2,0,0]=4 5476 B11R0.42 CSCCOCOC(=O)C(C)C 4ddcd3820aba5ed2f7b189eaa6ef490f [1,1,0,0,0,0|2,0,0]=4 5477 B11R0.42 CSCOCCOC(=O)C(C)C 3c28ed623a459ad775d2d0cf81d74d06 [1,1,0,0,0,0|2,0,0]=4 5478 B11R0.42 C[C@@H](F)C(=O)NCCCCCCl c96fd94676b566a57ea60d7fa4bf96b3 [1,1,0,0,0,0|2,0,0]=4 5479 B11R0.42 C[C@@H](F)C(=O)NCCCCCO fa007439eadc064c40308d885ff94390 [1,1,0,0,0,0|2,0,0]=4 5480 B11R0.42 C[C@@H](O)C(=O)NCCCCCCl ca0478b3ebe4a349053fcf0b233deaa5 [1,1,0,0,0,0|2,0,0]=4 5481 B11R0.42 C[C@@H](O)C(=O)NCCCCCO daff82b7b6a319ea46c4313c28e0b309 [1,1,0,0,0,0|2,0,0]=4 5482 B11R0.42 C[C@H](F)C(=O)NCCCCCCl 0361510a5a15545e8472c1b503b848dc [1,1,0,0,0,0|2,0,0]=4 5483 B11R0.42 C[C@H](F)C(=O)NCCCCCO 00b8a369d9183eb9301f96163ed1c00a [1,1,0,0,0,0|2,0,0]=4 5484 B11R0.42 C[C@H](O)C(=O)NCCCCCCl b198c5e593686f57cfe8d8eaca3d63f9 [1,1,0,0,0,0|2,0,0]=4 5485 B11R0.42 C[C@H](O)C(=O)NCCCCCO 2754ab274d78f6b8089b15a04c6351ae [1,1,0,0,0,0|2,0,0]=4 5486 B11R0.70 CCC(=O)NC[C@H](C)CCCO 234894eebeab2afe5b5d965193c1a7db [1,1,0,0,0,0|2,0,0]=4 5487 B11R0.70 CCC(=O)OCN(C)CCCO d8f1998e41bb1a13d9456e54db5af1ff [1,1,0,0,0,0|2,0,0]=4 5488 B11R0.70 CCC(=O)OCN(C)CCOC d5a0e3d14eacbddc10dba96f5045576c [1,1,0,0,0,0|2,0,0]=4 5489 B11R0.70 CCC(=O)OCN(C)CCSC 612c8403908ec67175bbc8943d8abf6e [1,1,0,0,0,0|2,0,0]=4 5490 B11R0.70 CCCCC(C)COC(C)CC 5c5c347cd216a2132907d007c8b25202 [1,1,0,0,0,0|1,0,1]=4 5491 B11R0.70 CCCCC(C)NCC(=O)CC c561f2171e24ea12ec567fc4f74e5f3c [1,1,0,0,0,0|2,0,0]=4 5492 B11R0.70 CCCCC(C)OCC(=O)CC 91d666f1796a689af64430251353285c [1,1,0,0,0,0|2,0,0]=4 5493 B11R0.70 CCCCC(O)CNC(=O)CC a18614707b31b705fea3a9214509c6d7 [1,1,0,0,0,0|1,0,0]=3 5494 B11R0.70 CCCCC(O)CNC(=O)CF ce8ca8ca5f0e28cabd232514364fbc83 [1,1,0,0,0,0|2,0,0]=4 5495 B11R0.70 CCCCC(O)CNC(=O)CO 23ce94bd5798ad1c8f3ff6df534c98ad [1,1,0,0,0,0|2,0,0]=4 5496 B11R0.70 CCCCC(O)CNC(=O)CS 749c4e231ee415305ca2874da9b6e609 [1,1,0,0,0,0|2,0,0]=4 5497 B11R0.70 CCCCN(C)COC(=O)CC a4ec5d7fca2c7352b40f0edbfdecad4d [1,1,0,0,0,0|1,0,0]=3 5498 B11R0.70 CCCCN(C)COC(=O)OC cd7d2c3f82adbaf2330dfb58647703c3 [1,1,0,0,0,0|2,0,0]=4 5499 B11R0.70 CCCC[C@@H](C)NCC(=O)CC 35325ab00544718ec7f8e316798f7adc [1,1,0,0,0,0|2,0,0]=4 5500 B11R0.70 CCCC[C@@H](C)OCC(=O)CC cb52e73602982a5316a49d74e42880c1 [1,1,0,0,0,0|2,0,0]=4 5501 B11R0.70 CCCC[C@H](C)OCC(=O)CC 3a021690484f71f44ba979115207b6b2 [1,1,0,0,0,0|2,0,0]=4 5502 B11R0.70 CCOCC(O)CNC(=O)CC 12d324a482feed3226907822dd74d834 [1,1,0,0,0,0|2,0,0]=4 5503 B11R0.106 CCC(=O)CCCCN(C)CC 2b370bfdb5d5de00c92602244680674b [1,1,0,0,0,0|2,0,0]=4 5504 B11R0.106 CCC(=O)CNCCC(C)CC 106100361898872279c972f823771d98 [1,1,0,0,0,0|2,0,0]=4 5505 B11R0.106 CCC(=O)COCCC(C)CC 345bfda05f7e751c0fc12f2e90b906d2 [1,1,0,0,0,0|2,0,0]=4 5506 B11R0.106 CCC(=O)COCCC(S)CC b6366a82ee5d59706166c23a6d1c64f2 [1,1,0,0,0,0|2,0,0]=4 5507 B11R0.106 CCC(=O)COCC[C@@H](C)CC 332a7d1082fc27f1a46b7b5a5dcf9383 [1,1,0,0,0,0|2,0,0]=4 5508 B11R0.106 CCC(=O)COCOC(=O)CC 59703a00f2c88730943f6b74bb710e65 [1,1,0,0,0,0|1,0,1]=4 5509 B11R0.106 CCC(=O)NCCCC(C)CO 49083233765dcd6fceddfbcf416dbeca [1,1,0,0,0,0|2,0,0]=4 5510 B11R0.106 CCC(=O)NCCCN(C)CC 011d0f731d38ceb4c1468a0839e925ec [1,1,0,0,0,0|2,0,0]=4 5511 B11R0.106 CCC(=O)NCCNC(C)CC c19ce562c189cf20a9e164027f672ff6 [1,1,0,0,0,0|2,0,0]=4 5512 B11R0.106 CCC(=O)NCCOC(C)CC 4e9d1cf376ae5ce4fce8a6afee6ba7d3 [1,1,0,0,0,0|2,0,0]=4 5513 B11R0.106 CCC(=O)OCCOC(C)CC f0ea60d04e18431aabc16e7fa3a3fc58 [1,1,0,0,0,0|1,0,0]=3 5514 B11R0.106 CCC(=O)OCNCC(Br)CBr 98c42bd78272ec7b5ed81d80fd59b09d [1,1,0,0,0,0|2,0,0]=4 5515 B11R0.106 CCC(=O)OCNCC(C)CC c960546a8b37c5b51fa943577cfeee1b [1,1,0,0,0,0|1,0,0]=3 5516 B11R0.106 CCC(=O)OCNCC(C)CO c1d5b81f4db3737dd6ed5b49db133844 [1,1,0,0,0,0|2,0,0]=4 5517 B11R0.106 CCC(=O)OCNCC(F)CO 3b700c23a40f0b4b3ad96d9d407e2354 [1,1,0,0,0,0|2,0,0]=4 5518 B11R0.106 CCC(=O)OCNCC(O)CC 56956f9574949527a8f07f4cef135a87 [1,1,0,0,0,0|1,0,0]=3 5519 B11R0.106 CCC(=O)OCNCC(O)CO c826995644d31658bb8ef9bd160dbdc6 [1,1,0,0,0,0|2,0,0]=4 5520 B11R0.106 CCC(=O)OCNC[C@@H](C)CC 4bdb3fde5edb0494917cb3b200ccee10 [1,1,0,0,0,0|1,0,0]=3 5521 B11R0.106 CCC(=O)OCNC[C@@H](C)OC 4ddf88769248fd8709cea16e9264e818 [1,1,0,0,0,0|2,0,0]=4 5522 B11R0.106 CCC(=O)OCNC[C@@H](F)CO 91faf6e50818e4b2369f95da877e9e95 [1,1,0,0,0,0|2,0,0]=4 5523 B11R0.106 CCC(=O)OCNC[C@@H](O)CO ed8832dcb67eb1fae3b94495c25038e2 [1,1,0,0,0,0|2,0,0]=4 5524 B11R0.106 CCC(=O)OCNC[C@H](C)CO bd6d5a25b9b324a8dd57261e50be24c4 [1,1,0,0,0,0|2,0,0]=4 5525 B11R0.106 CCC(=O)OCNC[C@H](C)OC 17574ff4e17fbc7064b486e5fe4ea9fb [1,1,0,0,0,0|2,0,0]=4 5526 B11R0.106 CCC(=O)OCNC[C@H](F)CO ae56b7e93b6ac2caab79285500c6339f [1,1,0,0,0,0|2,0,0]=4 5527 B11R0.106 CCC(=O)OCNC[C@H](O)CC 849e04181d91d7ea77286e5c7efa79a7 [1,1,0,0,0,0|1,0,0]=3 5528 B11R0.106 CCC(=O)OCNC[C@H](O)CO fb6fea33ca14b90b3c893c04880f0301 [1,1,0,0,0,0|2,0,0]=4 5529 B11R0.106 CCC(=O)OCOCC(Br)CBr d8d1d530b7a5879bb3942007db69a072 [1,1,0,0,0,0|2,0,0]=4 5530 B11R0.106 CCC(=O)OCOCC(C)CC 1c501e6259176ad2eeffac7244c7b2dd [1,1,0,0,0,0|1,0,0]=3 5531 B11R0.106 CCC(=O)OCOCC(C)OC 71b2504d686299a421f47f21c8136d47 [1,1,0,0,0,0|2,0,0]=4 5532 B11R0.106 CCC(=O)OCOCC(Cl)CCl 30717e88ff1d483f28699b01d44e0e65 [1,1,0,0,0,0|2,0,0]=4 5533 B11R0.106 CCC(=O)OCOCC(S)CS a96ec43226c63cc93f546e10ca2dda16 [1,1,0,0,0,0|2,0,0]=4 5534 B11R0.106 CCC(=O)OCOC[C@@H](C)CC 82d3d51a6e30691b0a0763bf89f5029b [1,1,0,0,0,0|1,0,0]=3 5535 B11R0.106 CCC(=O)OCOC[C@@H](C)OC ad4a34df86cb8821fa3483b1dc5b6cad [1,1,0,0,0,0|2,0,0]=4 5536 B11R0.106 CCC(=O)OCOC[C@H](C)CC 8859bddfd5e16eee958f0fceb8404582 [1,1,0,0,0,0|1,0,0]=3 5537 B11R0.106 CCC(=O)OCOC[C@H](C)OC 374cf41543282512d978f133e77a01f8 [1,1,0,0,0,0|2,0,0]=4 5538 B11R0.106 CCC(C)CCCOC(C)CC 877dbff3613f08c83570ee3db82e576c [1,1,0,0,0,0|1,0,1]=4 5539 B11R0.106 CCC(C)CNCOC(=O)OC 1b5b4f97764d129d74a4b3c8fd6c387b [1,1,0,0,0,0|2,0,0]=4 5540 B11R0.106 CCC(C)COCOC(=O)OC 2bd8b4d2ed4c7f583c2eddbba855b125 [1,1,0,0,0,0|2,0,0]=4 5541 B11R0.106 CCC(C)OCCC[C@@H](C)CC 36cdaa0d803eb89690f77cfa671545ca [1,1,0,0,0,0|1,0,1]=4 5542 B11R0.106 CCC(C)OCCOC(=O)OC a61ba394d28b03b1b7a19d066f8dfa4b [1,1,0,0,0,0|2,0,0]=4 5543 B11R0.106 CCC(O)CNCOC(=O)OC ce4ae85bbfc243148577b25bcaa909b0 [1,1,0,0,0,0|2,0,0]=4 5544 B11R0.106 CC[C@@H](C)COCOC(=O)OC 18a298c9654de34ee80c48d13a4e3aba [1,1,0,0,0,0|2,0,0]=4 5545 B11R0.106 CC[C@@H](O)CNCOC(=O)OC 0969d147c74c9771132277dcbe54766f [1,1,0,0,0,0|2,0,0]=4 5546 B11R0.106 CC[C@H](C)CNCOC(=O)OC 44ea9c74081a990712c8b549cd09454b [1,1,0,0,0,0|2,0,0]=4 5547 B11R0.106 CC[C@H](C)COCOC(=O)OC 280b327297b86b841ec4cc1075740686 [1,1,0,0,0,0|2,0,0]=4 5548 B11R0.111 C=C(C)CCNCOC(=O)CC a910b81f1102eb2e3c2ddf3cfbf75dca [1,1,0,0,0,0|1,0,1]=4 5549 B11R0.111 C=C(C)CCOCOC(=O)CC 95bd403cabf0c78360310fa9fc7e148b [1,1,0,0,0,0|1,0,1]=4 5550 B11R0.111 C=C(C)COCCOC(=O)CC 26c19060adc18fa244b68c345c541864 [1,1,0,0,0,0|1,0,1]=4 5551 B11R0.111 CCC(=O)CCCCOC(C)C aa944513daa2afa90a34f9aaee9f9f1e [1,1,0,0,0,0|2,0,0]=4 5552 B11R0.111 CCC(=O)CNCCCC(C)C d83f3b736b480a97f776b16a14dc2edc [1,1,0,0,0,0|2,0,0]=4 5553 B11R0.111 CCC(=O)COCCCC(C)C eaf4145611740d85857f72943f0be1cd [1,1,0,0,0,0|2,0,0]=4 5554 B11R0.111 CCC(=O)NCCCCC(F)F c22d17a9c23e2a43272e55fdeb00c3d6 [1,1,0,0,0,0|2,0,0]=4 5555 B11R0.111 CCC(=O)NCCCCN(C)C c2d742461a0e1c57fa17870ac35a61bc [1,1,0,0,0,0|2,0,0]=4 5556 B11R0.111 CCC(=O)NCCCOC(C)C af294c921cad782d37702daec410d0c7 [1,1,0,0,0,0|2,0,0]=4 5557 B11R0.111 CCC(=O)NCCCSC(C)C 5d6b7a204451ab43e34a31338cc46575 [1,1,0,0,0,0|2,0,0]=4 5558 B11R0.111 CCC(=O)NCCNCC(C)C 9e7cd0d05bae096c634a0f8af7568858 [1,1,0,0,0,0|2,0,0]=4 5559 B11R0.111 CCC(=O)NCCNCC(C)O bcb24b96d36b0dd9e43ff40f6e1343a8 [1,1,0,0,0,0|2,0,0]=4 5560 B11R0.111 CCC(=O)NCCNC[C@@H](C)O fa1764f1b4a0ecd78ec02e70dbe53f9c [1,1,0,0,0,0|2,0,0]=4 5561 B11R0.111 CCC(=O)NCCNC[C@H](C)O d69bc29251cf0821084a0f19a6558716 [1,1,0,0,0,0|2,0,0]=4 5562 B11R0.111 CCC(=O)NCCOCC(C)C cd60bd5f02d7c30117cc9fe8c3e17d07 [1,1,0,0,0,0|2,0,0]=4 5563 B11R0.111 CCC(=O)OCCOCC(C)C 50d6d7032a8c30d3c2e4cd419a7563eb [1,1,0,0,0,0|1,0,0]=3 5564 B11R0.111 CCC(=O)OCCOCC(F)F b569d824fe956d414e9cb8e9239f2e87 [1,1,0,0,0,0|2,0,0]=4 5565 B11R0.111 CCC(=O)OCCOCN(C)C f1253985f4ca5350ee8a980076a3c790 [1,1,0,0,0,0|2,0,0]=4 5566 B11R0.111 CCC(=O)OCNCCC(C)C 3b044d7e60398bd269f208d7f76ce10a [1,1,0,0,0,0|1,0,0]=3 5567 B11R0.111 CCC(=O)OCNCCC(C)O 72635955e54aa2a9b5ca783362017880 [1,1,0,0,0,0|1,0,0]=3 5568 B11R0.111 CCC(=O)OCNCCC(F)F 7e77919f7d28d33411d6674e4ce43837 [1,1,0,0,0,0|2,0,0]=4 5569 B11R0.111 CCC(=O)OCNCCN(C)C 066afa6deac6e51b4cb4d065ee2cb6eb [1,1,0,0,0,0|2,0,0]=4 5570 B11R0.111 CCC(=O)OCNCCS(=O)C d25f02da54076f90d4b9bfd3812ce6d9 [1,1,0,0,0,0|2,0,0]=4 5571 B11R0.111 CCC(=O)OCNCC[C@@H](C)O 4580331c1fcbe45b4aa11fe539413781 [1,1,0,0,0,0|1,0,0]=3 5572 B11R0.111 CCC(=O)OCNCC[C@H](C)O 9213c4d09a55d6c608b8321d4ffc7bdc [1,1,0,0,0,0|1,0,0]=3 5573 B11R0.111 CCC(=O)OCOCCC(=O)C 51eee7fc5aa090efcc4bdf4614e60fa6 [1,1,0,0,0,0|1,0,1]=4 5574 B11R0.111 CCC(=O)OCOCCC(C)C 1b30abcdbd05a31e9531c15fcd74a28e [1,1,0,0,0,0|1,0,0]=3 5575 B11R0.111 CCC(=O)OCOCCC(F)F 11a088835f7fea34d6807a603cd45f18 [1,1,0,0,0,0|2,0,0]=4 5576 B11R0.111 CCC(=O)OCOCCN(C)C 640b56abc3d50aa0a0c33acf65968e16 [1,1,0,0,0,0|2,0,0]=4 5577 B11R0.111 CCC(=O)OCOCCS(=O)C 5fb854e479bc2c400770472d444df4b1 [1,1,0,0,0,0|2,0,0]=4 5578 B11R0.111 CCC(C)OCCCCC(C)C 52f8c3ca3124c279572ea02044d2a846 [1,1,0,0,0,0|1,0,1]=4 5579 B11R0.111 CC[C@@H](C)OCCCCC(C)C 5a656c249e49f619bfc1c777fb0dcf69 [1,1,0,0,0,0|1,0,1]=4 5580 B11R0.111 CC[C@H](C)OCCCCC(C)C 6a2252cb80607d9f5161cd6510d28388 [1,1,0,0,0,0|1,0,1]=4 5581 B11R0.111 COC(=O)OCCOCC(C)C c059a298038ebd805d1fbcd46b77f963 [1,1,0,0,0,0|2,0,0]=4 5582 B11R0.111 COC(=O)OCNCCC(C)C afbfab069f26aebc5dadfe3afe6ca70e [1,1,0,0,0,0|2,0,0]=4 5583 B11R0.111 COC(=O)OCNCCC(C)O 93ed9cd7c4dc96cf7a0cae998cccaf83 [1,1,0,0,0,0|2,0,0]=4 5584 B11R0.111 COC(=O)OCNCC[C@@H](C)O 098f810ee0dc57270fd0c04bbf74b980 [1,1,0,0,0,0|2,0,0]=4 5585 B11R0.111 COC(=O)OCNCC[C@H](C)O 44fe14312fae9b263469c03d28c6a2d8 [1,1,0,0,0,0|2,0,0]=4 5586 B11R0.111 COC(=O)OCOCCC(C)C 2fa9d1da67245f659fde69a4176bfc23 [1,1,0,0,0,0|2,0,0]=4 5587 B11R0.124 C#CC(CC)OCCCCCC d5fbaf7e410efb0957df37565f93b6b3 [1,1,0,0,0,0|1,0,1]=4 5588 B11R0.124 C=CC(CC)OCCCCCC 60591ddb4e2c719b1db8e3432c11938a [1,1,0,0,0,0|1,0,1]=4 5589 B11R0.124 CCC(C=O)OCCCCOC bb0743a30d2fa14f643bd4b8a6f14b2c [1,1,0,0,0,0|1,0,1]=4 5590 B11R0.124 CCC(C=O)OCCCCSC f46d9d09e4af42bb89a26415a51321dd [1,1,0,0,0,0|1,0,1]=4 5591 B11R0.124 CCCCCCCN(C=O)CC 80dacb67574c723024dc07e5a2de7374 [1,1,0,0,0,0|2,0,0]=4 5592 B11R0.124 CCCCCCNC(C=O)CC 952a21803754a9cb70f39153ab7a98bb [1,1,0,0,0,0|1,0,1]=4 5593 B11R0.124 CCCCCCOC(C#N)CC b4926c7eed32f86ca86deeb98aba252e [1,1,0,0,0,0|1,0,1]=4 5594 B11R0.124 CCCCCCOC(C=O)CC c38fe7c50ce133303202e708cd40e930 [1,1,0,0,0,0|0,0,1]=3 5595 B11R0.124 CCCCCCOC(CC)CC bf0ce3d506ff0f20aaee455f0ea190b9 [1,1,0,0,0,0|1,0,1]=4 5596 B11R0.124 CCCOCCOC(C=O)CC f6aec26e489e8240e620cd57f513bb5f [1,1,0,0,0,0|1,0,1]=4 5597 B11R0.124 CCCSCCOC(C=O)CC 34bb8d18218a22ba351ec0372889a682 [1,1,0,0,0,0|1,0,1]=4 5598 B11R0.124 CCOCCCOC(C=O)CC 31bf429fccb10043f6690a49c6bd6989 [1,1,0,0,0,0|1,0,1]=4 5599 B11R0.124 CCSCCCOC(C=O)CC 83ef221073a6603a3eafb62d745a20ca [1,1,0,0,0,0|1,0,1]=4 5600 B11R0.154 CCCCCC(C)NC(=O)CC bc630bcd14906e5f8a25eb9d61b6f9fa [1,1,0,0,0,0|1,0,0]=3 5601 B11R0.154 CCCCCC(C)NC(=O)CF 5d760f69f72cae53987bc26b0b37b616 [1,1,0,0,0,0|2,0,0]=4 5602 B11R0.154 CCCCCC(C)NC(=O)CO b1987e3ffd1256966f5ade2751dbd699 [1,1,0,0,0,0|2,0,0]=4 5603 B11R0.154 CCCCCC(C)NC(=O)CS 0494ab6bbcdac18d08e2a513457ce320 [1,1,0,0,0,0|2,0,0]=4 5604 B11R0.154 CCCCCC(C)OC(C)CC fc643163d2b891af0c0926d7f7eb2462 [1,1,0,0,0,0|1,0,1]=4 5605 B11R0.154 CCCCCC(C)O[C@@H](C)CC da1300fa38abc5a9011c506e97ae86c1 [1,1,0,0,0,0|1,0,1]=4 5606 B11R0.154 CCCCCC(C)O[C@H](C)CC 5f460a324fee5c3fec72e73bca2add32 [1,1,0,0,0,0|1,0,1]=4 5607 B11R0.154 CCCCCN(C)CC(=O)CC bc4198bf04991e42a831c18e59480a90 [1,1,0,0,0,0|2,0,0]=4 5608 B11R0.154 CCCCC[C@@H](C)OC(C)CC 51c578f0319615a410c0ef65ae55d4bb [1,1,0,0,0,0|1,0,1]=4 5609 B11R0.154 CCCCC[C@H](C)NC(=O)CC 9adb0b9fb15364ba4605e72a32fe384f [1,1,0,0,0,0|1,0,0]=3 5610 B11R0.154 CCCCC[C@H](C)NC(=O)CF 55aba371966eb157b3c40d06f51f13a5 [1,1,0,0,0,0|2,0,0]=4 5611 B11R0.154 CCCCC[C@H](C)NC(=O)CO b98ed524bef49d7d0d8229753e939d41 [1,1,0,0,0,0|2,0,0]=4 5612 B11R0.154 CCCCC[C@H](C)NC(=O)CS 5fcc9d79a53b2ac80766be1d778ec59f [1,1,0,0,0,0|2,0,0]=4 5613 B11R0.154 CCCCC[C@H](C)OC(C)CC d26536a90aeff68338d067622136554f [1,1,0,0,0,0|1,0,1]=4 5614 B11R0.154 CCCCC[C@H](C)O[C@@H](C)CC 80fa37361d22f5be457b77facfc339ed [1,1,0,0,0,0|1,0,1]=4 5615 B11R0.154 CCCCC[C@H](C)O[C@H](C)CC d0b6ca99c00ec0460fe469da71a605d9 [1,1,0,0,0,0|1,0,1]=4 5616 B11R0.154 CCCCNC(C)OC(=O)OC ddd35a307d138888f4e47c318dd0505d [1,1,0,0,0,0|2,0,0]=4 5617 B11R0.154 CCCCOC(C)OC(=O)OC 6a9183201443b2593082d20e0b694152 [1,1,0,0,0,0|2,0,0]=4 5618 B13R0.2 C#CCCCCCCNC(=O)CCC 1b750aec5039bff235f3dd5614ff61c2 [0,2,0,0,0,0|1,0,0]=3 5619 B13R0.2 C#CCCCCCCNC(=O)CCF a5f8c2ac39529a629e39b3b6d97e0b31 [0,2,0,0,0,0|2,0,0]=4 5620 B13R0.2 C#CCCCCCCNC(=O)CCO d3f60f9eb04aec28dd562acca28cdfa6 [0,2,0,0,0,0|2,0,0]=4 5621 B13R0.2 C#CCCCCCCNC(=O)CCS 4211ee9bad26fc3c612c6eedbb3d41b1 [0,2,0,0,0,0|2,0,0]=4 5622 B13R0.2 C#CCCCCCCNC(=O)COC f762ae3b538c5655f9d71eeeb9724a52 [0,2,0,0,0,0|2,0,0]=4 5623 B13R0.2 C#CCCCCCCNC(=O)CSC 2c7c1f72580069243bf228c2ed4c0789 [0,2,0,0,0,0|2,0,0]=4 5624 B13R0.2 C#CCCCCCCOC(=S)CCC 17aa9c7e0bd9ce0bac43348cbf00c2e7 [0,2,0,0,0,0|0,1,0]=3 5625 B13R0.2 C#CCCCCCCOC(C)CCC 95e1a5fd6d73d3a17175cc9cb9dc76f4 [0,2,0,0,0,0|1,0,1]=4 5626 B13R0.2 C#CCCCCCCO[C@@H](C)CCC 3190c7221ac2026cd074e860215b600d [0,2,0,0,0,0|1,0,1]=4 5627 B13R0.2 C#CCCCCCCO[C@H](C)CCC e3125368d94cf42aaa7ce63179ff62d8 [0,2,0,0,0,0|1,0,1]=4 5628 B13R0.2 C#CCCCCCNCC(=O)CCC bb79249a1e516664d6ca4a8d4e52155c [0,2,0,0,0,0|1,0,1]=4 5629 B13R0.2 C#CCCCCCOCC(=O)CCC 235785bc15f065d931a38874b01e88c7 [0,2,0,0,0,0|0,0,1]=3 5630 B13R0.2 C#CCCCCCOCC(=O)NCC b97a949356370f6e862f40d3af4efe25 [0,2,0,0,0,0|1,0,1]=4 5631 B13R0.2 C#CCCCCCOCC(=O)OCC fdc200de9cbb0724f18fc6b1844de840 [0,2,0,0,0,0|1,0,1]=4 5632 B13R0.2 C#CCCCCNCOC(=O)CCC 9ed5bb1fad4c49d31694b3d37f0a3565 [0,2,0,0,0,0|0,0,1]=3 5633 B13R0.2 C#CCCCCNCOC(=O)OCC e49365b57061acd462544a47e799bb89 [0,2,0,0,0,0|1,0,1]=4 5634 B13R0.2 C#CCCCCNCOC(=O)SCC 3d4706db114aa623929581d1a5fa7551 [0,2,0,0,0,0|1,0,1]=4 5635 B13R0.2 C#CCCCCOCOC(=O)CCC fde3ecdb9e5dd56a13a5170733856b07 [0,2,0,0,0,0|0,0,1]=3 5636 B13R0.2 C#CCCCCOCOC(=O)OCC ebd592e6c461d4590c553cc23704744b [0,2,0,0,0,0|1,0,1]=4 5637 B13R0.2 C#CCCCCOCOC(=O)SCC ff5df746a15bc0d9291631261c103c2c [0,2,0,0,0,0|1,0,1]=4 5638 B13R0.2 C#CCCCOCCOC(=O)CCC e5f4b906e8d43bf5f82850b7d074b75f [0,2,0,0,0,0|0,0,1]=3 5639 B13R0.2 C#CCOCCCCOC(=O)CCC 8ffb5d908edcbba89066eaa8eb97624b [0,2,0,0,0,0|0,0,1]=3 5640 B13R0.2 C#CCOCCCOCC(=O)CCC 3fa72d148586b897cfc7beeddc84364d [0,2,0,0,0,0|0,0,2]=4 5641 B13R0.2 C#CCOCCOCOC(=O)CCC 418d9ae7c1699f3ff7214b82ed2b7268 [0,2,0,0,0,0|0,0,2]=4 5642 B13R0.2 C/C=C/CCCOCOC(=O)CCC a5ed737af3b6f92eb20f7d16c99d2dac [0,2,0,0,0,0|0,0,1]=3 5643 B13R0.2 C/C=C/CCCOCOC(=O)OCC c09e8c38f4c3f3565969cf4102237f15 [0,2,0,0,0,0|1,0,1]=4 5644 B13R0.2 C/C=C/CCCOCOC(=O)SCC d7a2aa32104a3589a83f8bfd64432b91 [0,2,0,0,0,0|1,0,1]=4 5645 B13R0.2 C/C=C\CCCOCOC(=O)CCC fa18b501087cc2d47e19054fad78447b [0,2,0,0,0,0|0,0,1]=3 5646 B13R0.2 C/C=C\CCCOCOC(=O)OCC 0494c0d6cb9e5f2d36620bbff6a22a70 [0,2,0,0,0,0|1,0,1]=4 5647 B13R0.2 C/C=C\CCCOCOC(=O)SCC cd9af3543b181868a2ad8da31f0a0a67 [0,2,0,0,0,0|1,0,1]=4 5648 B13R0.2 C=CCCCCCCOC(=S)CCC e395c1c0d2fa9315ecf360045a0f5321 [0,2,0,0,0,0|0,1,0]=3 5649 B13R0.2 C=CCCCCCCOC(C)CCC 47d47674538b4cf87f130975facefa7b [0,2,0,0,0,0|1,0,1]=4 5650 B13R0.2 C=CCCCCCCO[C@@H](C)CCC 974d6cdcd04c1a775e38b3ec8321d44f [0,2,0,0,0,0|1,0,1]=4 5651 B13R0.2 C=CCCCCCCO[C@H](C)CCC 52fa92e75baabed29e608a4be9c5b950 [0,2,0,0,0,0|1,0,1]=4 5652 B13R0.2 C=CCCCCCNCC(=O)CCC 30eeffdabee09eee68ac6fc4aa6fc06a [0,2,0,0,0,0|1,0,1]=4 5653 B13R0.2 C=CCCCCCOCC(=O)CCC 0e40ca046ae6d46c4f1ae9a88d735d3b [0,2,0,0,0,0|0,0,1]=3 5654 B13R0.2 C=CCCCCCOCC(=O)COC e8b1cd97bb6974837f9b6e3170a505d0 [0,2,0,0,0,0|1,0,1]=4 5655 B13R0.2 C=CCCCCCOCC(=O)NCC 37189ef613ad486c4ddd73dc281be3f0 [0,2,0,0,0,0|1,0,1]=4 5656 B13R0.2 C=CCCCCCOCC(=O)OCC 9a62c1f2b00006d8f8792354bd522532 [0,2,0,0,0,0|1,0,1]=4 5657 B13R0.2 C=CCCCCNCOC(=O)CCC 0de5a84d6e97b6569833f22a662214dd [0,2,0,0,0,0|0,0,1]=3 5658 B13R0.2 C=CCCCCNCOC(=O)OCC 12eb65f6775df70c2ed5826080b9eedb [0,2,0,0,0,0|1,0,1]=4 5659 B13R0.2 C=CCCCCNCOC(=O)SCC 07bf8c21249f6b7323ba8f0571bfaed3 [0,2,0,0,0,0|1,0,1]=4 5660 B13R0.2 C=CCCCCOCOC(=O)CCC d878bcd6e5aaab1bb0c9daf342e973b2 [0,2,0,0,0,0|0,0,1]=3 5661 B13R0.2 C=CCCCCOCOC(=O)OCC 6e6d592db6c659c378facebd059293e5 [0,2,0,0,0,0|1,0,1]=4 5662 B13R0.2 C=CCCCCOCOC(=O)SCC 77e59dcec1d74f84214e180026c70bb0 [0,2,0,0,0,0|1,0,1]=4 5663 B13R0.2 C=CCCCOCCOC(=O)CCC 7d53032cf72fca03d709dbe5174fac0d [0,2,0,0,0,0|0,0,1]=3 5664 B13R0.2 C=CCOCCCCOC(=O)CCC 0907bbe61293b7855b3292b3ecd23dec [0,2,0,0,0,0|0,0,1]=3 5665 B13R0.2 C=CCOCCOCOC(=O)CCC af355ac835eca7016230d1fad1e443c0 [0,2,0,0,0,0|0,0,2]=4 5666 B13R0.2 C=COCCCCOCC(=O)CCC b08475ed2239b09a81d2f7bb25630557 [0,2,0,0,0,0|0,0,2]=4 5667 B13R0.2 C=COCCCNCOC(=O)CCC 6551e777a4e282a26f1d5128e5b924b5 [0,2,0,0,0,0|0,0,2]=4 5668 B13R0.2 CC#CCCCOCOC(=O)CCC fc1b9ed91f215161f089c40c8bbd7568 [0,2,0,0,0,0|0,0,1]=3 5669 B13R0.2 CC#CCCCOCOC(=O)OCC 8d12baa565743eee00908a4609c65072 [0,2,0,0,0,0|1,0,1]=4 5670 B13R0.2 CC#CCCCOCOC(=O)SCC 7b979f590540e8cbcde3084b496082c7 [0,2,0,0,0,0|1,0,1]=4 5671 B13R0.2 CC/C=C/CCOCOC(=O)CCC f241b8528309b11d7321f028a5af77b5 [0,2,0,0,0,0|0,0,1]=3 5672 B13R0.2 CC/C=C/CCOCOC(=O)OCC 25f0598d6b73ed298b75608d320cab86 [0,2,0,0,0,0|1,0,1]=4 5673 B13R0.2 CC/C=C/CCOCOC(=O)SCC ccea17314ebc39e6d1d90638b27e4fe5 [0,2,0,0,0,0|1,0,1]=4 5674 B13R0.2 CC/C=C/COCCOC(=O)CCC cbdeed5d23eb4036464085333d976e6c [0,2,0,0,0,0|0,0,1]=3 5675 B13R0.2 CC/C=C\CCCCOC(C)CCC 9a3eabf432cd66a990c032597d794c0b [0,2,0,0,0,0|1,0,1]=4 5676 B13R0.2 CC/C=C\CCCOCC(=O)CCC 6fc13199b88b3c83ba1b381596df88ae [0,2,0,0,0,0|0,0,1]=3 5677 B13R0.2 CC/C=C\CCCOCC(=O)COC 3341c5b1e873aa3e3a6c7cbe7e91cc21 [0,2,0,0,0,0|1,0,1]=4 5678 B13R0.2 CC/C=C\CCCOCC(=O)NCC b41c6ac9bbeff0541be0049d9ad260c3 [0,2,0,0,0,0|1,0,1]=4 5679 B13R0.2 CC/C=C\CCCOCC(=O)OCC b3d635dafba3354e1c97d7484b5cf787 [0,2,0,0,0,0|1,0,1]=4 5680 B13R0.2 CC/C=C\CCOCOC(=O)CCC dfe716af9181690d2e929b98a8cd21c6 [0,2,0,0,0,0|0,0,1]=3 5681 B13R0.2 CC/C=C\CCOCOC(=O)OCC 1b476ab98c8daae3f463e690bdfb9082 [0,2,0,0,0,0|1,0,1]=4 5682 B13R0.2 CC/C=C\CCOCOC(=O)SCC 3f7a1d04b0af5fe550a1f5f218d79d2b [0,2,0,0,0,0|1,0,1]=4 5683 B13R0.2 CC=C=CCCOCOC(=O)CCC b02433e1466bf73a5c3128822548e83e [0,2,0,0,0,0|0,0,2]=4 5684 B13R0.2 CC=CCCCOCOC(=O)CCC 09a8c57332a0867bd0f76bd28a58d552 [0,2,0,0,0,0|0,0,1]=3 5685 B13R0.2 CC=CCCCOCOC(=O)OCC c6ee9b9b1ce9fbf153e151a8ecb2354a [0,2,0,0,0,0|1,0,1]=4 5686 B13R0.2 CC=CCCCOCOC(=O)SCC 3903e6fdfda1e484d35e6c1c3e6ace36 [0,2,0,0,0,0|1,0,1]=4 5687 B13R0.2 CCC#CCCOCOC(=O)CCC 936bbf5beec3ba4ea53d8c0b42fa93c7 [0,2,0,0,0,0|0,0,1]=3 5688 B13R0.2 CCC#CCCOCOC(=O)OCC 8ce3ef9b77c5df8cf921af92baeaa4ee [0,2,0,0,0,0|1,0,1]=4 5689 B13R0.2 CCC#CCCOCOC(=O)SCC 3f5024275f20fb4904f5c9aa80eac98e [0,2,0,0,0,0|1,0,1]=4 5690 B13R0.2 CCC/C=C/CCCOC(C)CCC af4e2450da93d50e6e942a6076c24c49 [0,2,0,0,0,0|1,0,1]=4 5691 B13R0.2 CCC/C=C/COCOC(=O)CCC e1d08c0da1782c8241583dac87d0df20 [0,2,0,0,0,0|0,0,1]=3 5692 B13R0.2 CCC/C=C/COCOC(=O)OCC 83ef3970d61121fe54d16a8256e8903a [0,2,0,0,0,0|1,0,1]=4 5693 B13R0.2 CCC/C=C/COCOC(=O)SCC 1f2d6edbd9a14e39724568a60cc531fb [0,2,0,0,0,0|1,0,1]=4 5694 B13R0.2 CCC/C=C\CCCOC(C)CCC 8c5316c3591bad83776e9cd11223c393 [0,2,0,0,0,0|1,0,1]=4 5695 B13R0.2 CCC/C=C\CCOCC(=O)CCC d7e70161409b44ee710c0602694ea1bb [0,2,0,0,0,0|0,0,1]=3 5696 B13R0.2 CCC/C=C\CCOCC(=O)COC 397b5724bd2a2c68178af64539873139 [0,2,0,0,0,0|1,0,1]=4 5697 B13R0.2 CCC/C=C\CCOCC(=O)NCC 62836c214e38e26f3bc641f30dab93a1 [0,2,0,0,0,0|1,0,1]=4 5698 B13R0.2 CCC/C=C\CCOCC(=O)OCC d5efcb59810a940ad96feeea8f67b6bc [0,2,0,0,0,0|1,0,1]=4 5699 B13R0.2 CCC/C=C\COCOC(=O)CCC 8d700c119e23db532e25c835e0377a0a [0,2,0,0,0,0|0,0,1]=3 5700 B13R0.2 CCC/C=C\COCOC(=O)OCC fe52c618cd64e49ae42ac9d3a84307f6 [0,2,0,0,0,0|1,0,1]=4 5701 B13R0.2 CCC/C=C\COCOC(=O)SCC f2482b70e5871a0541eede6f3bec0e01 [0,2,0,0,0,0|1,0,1]=4 5702 B13R0.2 CCCC#CCCOCC(=O)CCC 5708e9e764027f4948dfff29bb61ecf4 [0,2,0,0,0,0|0,0,1]=3 5703 B13R0.2 CCCC#CCCOCC(=O)COC 018938d95475cf6523bd43fd4c1644b1 [0,2,0,0,0,0|1,0,1]=4 5704 B13R0.2 CCCC#CCCOCC(=O)NCC 7e50a66fe476686a46556a0802941c67 [0,2,0,0,0,0|1,0,1]=4 5705 B13R0.2 CCCC#CCCOCC(=O)OCC 7ec935317fa85fb26bc437b4efde9ec6 [0,2,0,0,0,0|1,0,1]=4 5706 B13R0.2 CCCC#CCOCOC(=O)CCC d2601fca407f5d44707284d7c4a8b45f [0,2,0,0,0,0|0,0,1]=3 5707 B13R0.2 CCCC#CCOCOC(=O)OCC 5a4d95af4c371b0420f6be6f57963f55 [0,2,0,0,0,0|1,0,1]=4 5708 B13R0.2 CCCC#CCOCOC(=O)SCC f79d8c59cf919fec86374950994edd4b [0,2,0,0,0,0|1,0,1]=4 5709 B13R0.2 CCCC(=O)CNCCCCCC#N 89c7d612e20c65a69ff58034b84a966d [0,2,0,0,0,0|1,0,1]=4 5710 B13R0.2 CCCC(=O)CNCCCCCCCl 1b660aee85e015e684442c676eb079ef [0,2,0,0,0,0|1,0,0]=3 5711 B13R0.2 CCCC(=O)CNCCCCCCO 7a79e72c977dde787f9ec1928c9843f2 [0,2,0,0,0,0|1,0,0]=3 5712 B13R0.2 CCCC(=O)CNCCCCCOC 5bae94b630a455d37fea507fba17690c [0,2,0,0,0,0|1,0,0]=3 5713 B13R0.2 CCCC(=O)CNCCCCSCC f38da5a3a1160e42990957b8bb215bc4 [0,2,0,0,0,0|1,0,0]=3 5714 B13R0.2 CCCC(=O)CNCCCOCCO 064125a9ed4cc018756d82779fc22148 [0,2,0,0,0,0|2,0,0]=4 5715 B13R0.2 CCCC(=O)CNCCOCCCO befee926ca945526d69d4191b9944856 [0,2,0,0,0,0|2,0,0]=4 5716 B13R0.2 CCCC(=O)CNCCOCCOC 0ad216739f1ea41d9ff330a2c08e724d [0,2,0,0,0,0|2,0,0]=4 5717 B13R0.2 CCCC(=O)COCCCCCC#N 777e79f297b4d0c6715ce675110f3a6d [0,2,0,0,0,0|0,0,1]=3 5718 B13R0.2 CCCC(=O)COCCCCCCF 2005e18d712e7d5ec8f90bb53a442039 [0,2,0,0,0,0|0,0,0]=2 5719 B13R0.2 CCCC(=O)COCCCCCCS e07b854a7745e05fbe6f169fa8845c01 [0,2,0,0,0,0|0,0,0]=2 5720 B13R0.2 CCCC(=O)COCCCOCC#N 761643ec0b5cccbd21da75a6c962b9df [0,2,0,0,0,0|1,0,1]=4 5721 B13R0.2 CCCC(=O)COCCOCCC#N 201c1eafe6fd8df8a4f9fa398c3082a9 [0,2,0,0,0,0|1,0,1]=4 5722 B13R0.2 CCCC(=O)COCCOCCOC 1a363242ff89dce746a83b4bb2a7162b [0,2,0,0,0,0|1,0,0]=3 5723 B13R0.2 CCCC(=O)NCCCCCCCO 52e294c2fb91b297813632fbd1730d61 [0,2,0,0,0,0|1,0,0]=3 5724 B13R0.2 CCCC(=O)NCCCCSCCO f9738e053fa334d5cbfad45a47c3dfc3 [0,2,0,0,0,0|1,0,0]=3 5725 B13R0.2 CCCC(=O)NCCCOCCCO 7ad8717190f73b3771c1633a517844b4 [0,2,0,0,0,0|1,0,0]=3 5726 B13R0.2 CCCC(=O)NCCCOCCOC 34a51e23e62607902c8b572f94308d80 [0,2,0,0,0,0|1,0,0]=3 5727 B13R0.2 CCCC(=O)NCCCOCCSC 68c9010059b13be33ab2748868b8c56c [0,2,0,0,0,0|1,0,0]=3 5728 B13R0.2 CCCC(=O)NCCOCCOCC c23fd034a4be9290e860aee1542c0005 [0,2,0,0,0,0|1,0,0]=3 5729 B13R0.2 CCCC(=O)OCCCCOCC#N 05b12ed506c2ba07c1531aef1ed83a67 [0,2,0,0,0,0|0,0,1]=3 5730 B13R0.2 CCCC(=O)OCCCCOCC=O 49c239af0360ba92461c53ceddbadd31 [0,2,0,0,0,0|0,0,1]=3 5731 B13R0.2 CCCC(=O)OCCCCOCCF 63a07464ac779eb4808c52cc28f78533 [0,2,0,0,0,0|0,0,0]=2 5732 B13R0.2 CCCC(=O)OCCCCOCCS 5336fb52c1cd7f58ab08b3b235f52355 [0,2,0,0,0,0|0,0,0]=2 5733 B13R0.2 CCCC(=O)OCCCCOCOC 9195ce16f4b7d96099ce023c7ba0e5f7 [0,2,0,0,0,0|0,0,0]=2 5734 B13R0.2 CCCC(=O)OCCCCOCSC 1856e99e87044144ca7b213ddf5bbe86 [0,2,0,0,0,0|0,0,0]=2 5735 B13R0.2 CCCC(=O)OCCOCCCC#N 24e4ae59841a753ebc1adc4f187f9f62 [0,2,0,0,0,0|0,0,1]=3 5736 B13R0.2 CCCC(=O)OCCOCCCC=O 69ecd621dac2c297cc053a280ff16a9f [0,2,0,0,0,0|0,0,1]=3 5737 B13R0.2 CCCC(=O)OCCOCCCCF f5e121a0eb504c7a2bccc471d198b249 [0,2,0,0,0,0|0,0,0]=2 5738 B13R0.2 CCCC(=O)OCCOCCCOC f252f68c86d33a8d10fda95052b205cd [0,2,0,0,0,0|0,0,0]=2 5739 B13R0.2 CCCC(=O)OCCOCCCSC 664d52568a9398591e0c896067e740dd [0,2,0,0,0,0|0,0,0]=2 5740 B13R0.2 CCCC(=O)OCCOCCOCC be286993f18f201d7d8f78b96a6f69ff [0,2,0,0,0,0|0,0,0]=2 5741 B13R0.2 CCCC(=O)OCCOCCSCC 94d26c2ad4cd18d48091d43e42ff9588 [0,2,0,0,0,0|0,0,0]=2 5742 B13R0.2 CCCC(=O)OCNCCCCC#N 74c0b981f658356787bbd49f9cd13dd7 [0,2,0,0,0,0|0,0,1]=3 5743 B13R0.2 CCCC(=O)OCNCCCCCCl 2fe05f1ba2f5a04a64278139c4e6950d [0,2,0,0,0,0|0,0,0]=2 5744 B13R0.2 CCCC(=O)OCNCCCCCO 12e054910397ab61fe81600dbe95fb9a [0,2,0,0,0,0|0,0,0]=2 5745 B13R0.2 CCCC(=O)OCNCCCCOC 01459a5b93f2879c6cb9c0ce1164806c [0,2,0,0,0,0|0,0,0]=2 5746 B13R0.2 CCCC(=O)OCNCCCCSC af5a72cf20e24566340e1aff36dad388 [0,2,0,0,0,0|0,0,0]=2 5747 B13R0.2 CCCC(=O)OCNCCCOCC 36dac7462d7cdb8367595d55fb47f2b9 [0,2,0,0,0,0|0,0,0]=2 5748 B13R0.2 CCCC(=O)OCNCCOCCO 7fc36a905153e3d1be55f97e6e07f349 [0,2,0,0,0,0|1,0,0]=3 5749 B13R0.2 CCCC(=O)OCNCCOCCS e65bb1c286364b7572617b4765e0d5cb [0,2,0,0,0,0|1,0,0]=3 5750 B13R0.2 CCCC(=O)OCNCCSCCO 39b897633a072971f9178cf1f5a231d3 [0,2,0,0,0,0|1,0,0]=3 5751 B13R0.2 CCCC(=O)OCOCCCCC#N a5bd73cb001b83a3ca37e6df9b7d6208 [0,2,0,0,0,0|0,0,1]=3 5752 B13R0.2 CCCC(=O)OCOCCCCC=O 0f3c5a526298bc082cb7414953fd7250 [0,2,0,0,0,0|0,0,1]=3 5753 B13R0.2 CCCC(=O)OCOCCCCOC be4e70d53ca9e71a94d3437186c2bb57 [0,2,0,0,0,0|0,0,0]=2 5754 B13R0.2 CCCC(=O)OCOCCCCSC 1eed35287032f9c99d0957dcc80fff79 [0,2,0,0,0,0|0,0,0]=2 5755 B13R0.2 CCCC(=O)OCOCCCOCC 4cacbbac35f0cf402a12dd6797075c87 [0,2,0,0,0,0|0,0,0]=2 5756 B13R0.2 CCCC(=O)OCOCCCSCC 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0df5048d48c83fbe846931a53c572024 [0,2,0,0,0,0|1,0,1]=4 5780 B13R0.2 CCCCC#CCCOC(C)CCC 13eba5c672a2a5df68235037c5f34c21 [0,2,0,0,0,0|1,0,1]=4 5781 B13R0.2 CCCCC#CCOCC(=O)CCC 0fc9453ca2cab428a0c75830eb33dd7b [0,2,0,0,0,0|0,0,1]=3 5782 B13R0.2 CCCCC#CCOCC(=O)COC b5b0681547ab4ffda013d62cd21d11c7 [0,2,0,0,0,0|1,0,1]=4 5783 B13R0.2 CCCCC#CCOCC(=O)NCC 922bcc619d8ca63b3d4119cd0582d358 [0,2,0,0,0,0|1,0,1]=4 5784 B13R0.2 CCCCC#CCOCC(=O)OCC fe9b3644caa639f230defb207c5284fb [0,2,0,0,0,0|1,0,1]=4 5785 B13R0.2 CCCCC/C=C/COC(C)CCC 781570acdd0124c2ead378250fe7b442 [0,2,0,0,0,0|1,0,1]=4 5786 B13R0.2 CCCCCC#CCOC(=S)CCC b070a6fea05ad76aec9b1662dea69f61 [0,2,0,0,0,0|0,1,0]=3 5787 B13R0.2 CCCCCC#CCOC(C)CCC 76abbc0d701599b610ed0a7d05b03b92 [0,2,0,0,0,0|1,0,1]=4 5788 B13R0.2 CCCCCCCCNC(=O)CCC fd52ed268219c9eaea5cd0bca1a7b45c [0,2,0,0,0,0|1,0,0]=3 5789 B13R0.2 CCCCCCCCNC(=O)CCF 6d629f7ee7e2b72201f8fad37bd41aa1 [0,2,0,0,0,0|2,0,0]=4 5790 B13R0.2 CCCCCCCCNC(=O)CCO 7fe058f70c6f82e7e9341a5e811579fc [0,2,0,0,0,0|2,0,0]=4 5791 B13R0.2 CCCCCCCCNC(=O)CCS 770be40da0b567b4b557389280374fe8 [0,2,0,0,0,0|2,0,0]=4 5792 B13R0.2 CCCCCCCCNC(=O)COC 47f1d49276911c281e4e5d8541e891e0 [0,2,0,0,0,0|2,0,0]=4 5793 B13R0.2 CCCCCCCCNC(=O)CSC c8478f9ddd59a60ba0eb77e2fde87af1 [0,2,0,0,0,0|2,0,0]=4 5794 B13R0.2 CCCCCCCCOC(=S)CCC 43aa6c109e3c7caa3a73c7a895a94d67 [0,2,0,0,0,0|0,1,0]=3 5795 B13R0.2 CCCCCCCCOC(C)CCC f961eb6a0beecb605e28527549a8cb92 [0,2,0,0,0,0|1,0,1]=4 5796 B13R0.2 CCCCCCCCO[C@@H](C)CCC 4f36f3698ef38b64dd4a76436fa5157e [0,2,0,0,0,0|1,0,1]=4 5797 B13R0.2 CCCCCCCCO[C@H](C)CCC 3d57e3b7fb670dccbf462b28ee2f9f24 [0,2,0,0,0,0|1,0,1]=4 5798 B13R0.2 CCCCCCCNCC(=O)CCC 4eaa96e38cafce43b712582bc5131cdd [0,2,0,0,0,0|1,0,0]=3 5799 B13R0.2 CCCCCCCNCC(=O)COC 00a49161b46d585bb8c6643b00c1eee6 [0,2,0,0,0,0|2,0,0]=4 5800 B13R0.2 CCCCCCCNCC(=O)NCC 927bd34618f78b5d148fd000def32111 [0,2,0,0,0,0|2,0,0]=4 5801 B13R0.2 CCCCCCCNCC(=O)OCC abd85a7e37601b1753a0da1ffad8260f [0,2,0,0,0,0|2,0,0]=4 5802 B13R0.2 CCCCCCCOCC(=O)CCC e7a4ea2034eba7858b1da433f42e5b37 [0,2,0,0,0,0|0,0,0]=2 5803 B13R0.2 CCCCCCCOCC(=O)COC 3ec9fc8695c5218e1de632417c2b4180 [0,2,0,0,0,0|1,0,0]=3 5804 B13R0.2 CCCCCCCOCC(=O)NCC ca5053b06d2062fa5e184426c216fc0e [0,2,0,0,0,0|1,0,0]=3 5805 B13R0.2 CCCCCCCOCC(=O)OCC 4a05e6b375ec7268012afe5b15ef0517 [0,2,0,0,0,0|1,0,0]=3 5806 B13R0.2 CCCCCCCOCC(C)CCC e53f7ab3dbfd9707f67879e0eab0a6b2 [0,2,0,0,0,0|1,0,1]=4 5807 B13R0.2 CCCCCCNCCC(=O)NCC 47ad628fd5a43b3b16a35d82def183ec [0,2,0,0,0,0|2,0,0]=4 5808 B13R0.2 CCCCCCNCCC(=O)OCC aff4c424081f16a0015b47b5c232fbec [0,2,0,0,0,0|2,0,0]=4 5809 B13R0.2 CCCCCCNCOC(=O)CCC 91dd6734c7265a880f6cf2864566a581 [0,2,0,0,0,0|0,0,0]=2 5810 B13R0.2 CCCCCCNCOC(=O)OCC 2ed6191aaa975defd5b3aff84168c385 [0,2,0,0,0,0|1,0,0]=3 5811 B13R0.2 CCCCCCNCOC(=O)SCC 700e03a2eb1f699b6955b805804383ad [0,2,0,0,0,0|1,0,0]=3 5812 B13R0.2 CCCCCCOCCC(=O)NCC 2432b3fb2bfaa47ab50e1fa11b0a3781 [0,2,0,0,0,0|1,0,0]=3 5813 B13R0.2 CCCCCCOCCC(=O)OCC e54f3ab4d73e5d613afa1b2c27111033 [0,2,0,0,0,0|1,0,0]=3 5814 B13R0.2 CCCCCCOCCC(C)CCC 80102a8f16dc607d17f7291cdb43983d [0,2,0,0,0,0|1,0,1]=4 5815 B13R0.2 CCCCCCOCCC(S)CCC 5449c2fe34f40a803f02c423d863c7ad [0,2,0,0,0,0|0,1,1]=4 5816 B13R0.2 CCCCCCOCOC(=O)CCC 4ffa261af42fa9bfb3f1364541104f2f [0,2,0,0,0,0|0,0,0]=2 5817 B13R0.2 CCCCCCOCOC(=O)OCC eafccfdaff2b2a4e9b3584568c95869c [0,2,0,0,0,0|1,0,0]=3 5818 B13R0.2 CCCCCCOCOC(=O)SCC 63e5dcf7dd7353ea4aa2808dd8c362d6 [0,2,0,0,0,0|1,0,0]=3 5819 B13R0.2 CCCCCNC/C=C/C(=O)OCC d3ec4e077699aa3d69496c98f5c6d794 [0,2,0,0,0,0|2,0,0]=4 5820 B13R0.2 CCCCCNCC=CC(=O)OCC 593c7a4c9e9b8fc51015837f03226595 [0,2,0,0,0,0|2,0,0]=4 5821 B13R0.2 CCCCCNCCCC(=O)OCC 0df93ab1587649687a4df691133aff68 [0,2,0,0,0,0|2,0,0]=4 5822 B13R0.2 CCCCCOC/C=C/C(=O)OCC 88512f6ce8d3cebe5c14fb691fe7b0f7 [0,2,0,0,0,0|2,0,0]=4 5823 B13R0.2 CCCCCOCC#CC(=O)OCC d3d79b535d4b195245e225078b6a6699 [0,2,0,0,0,0|2,0,0]=4 5824 B13R0.2 CCCCCOCC=CC(=O)OCC f6ef3abd95a9be811bb890aa858c203f [0,2,0,0,0,0|2,0,0]=4 5825 B13R0.2 CCCCCOCCCC(=O)OCC 35ede942d9fb4c8f0cd553d34e8d4c7e [0,2,0,0,0,0|2,0,0]=4 5826 B13R0.2 CCCCCOCCOC(=O)CCC c1322bccbd983e42dca90c50534231c4 [0,2,0,0,0,0|0,0,0]=2 5827 B13R0.2 CCCCCOCCOC(C)CCC 4e7381779046678deb97594fd088d677 [0,2,0,0,0,0|1,0,1]=4 5828 B13R0.2 CCCCNCCC=CC(=O)OCC d5c0e4b8168d3422a63d07ab42daba49 [0,2,0,0,0,0|2,0,0]=4 5829 B13R0.2 CCCCNCCCCC(=O)OCC ddf10fa62cd2dab558dd66df1e4ec875 [0,2,0,0,0,0|2,0,0]=4 5830 B13R0.2 CCCCOCC/C=C/C(=O)OCC 1734e208992efde6e8faa09a03f1fbd5 [0,2,0,0,0,0|2,0,0]=4 5831 B13R0.2 CCCCOCCC=CC(=O)OCC 260db2c1db8dc6348d45ceb36d912022 [0,2,0,0,0,0|2,0,0]=4 5832 B13R0.2 CCCCOCCCCC(=O)OCC 2e19a20ec679fd1dc5239d756f3abbd1 [0,2,0,0,0,0|2,0,0]=4 5833 B13R0.2 CCCCOCCCNC(=O)CCC 0ca4290f34cf0636dab32eb43b4e2815 [0,2,0,0,0,0|1,0,0]=3 5834 B13R0.2 CCCCOCCCNC(=O)CCF 5028aaf7367190a63fac503643cca047 [0,2,0,0,0,0|2,0,0]=4 5835 B13R0.2 CCCCOCCCNC(=O)CCO 510f01d26553fe0c21a83dd971cb72d5 [0,2,0,0,0,0|2,0,0]=4 5836 B13R0.2 CCCCOCCCNC(=O)CCS 8dc540344ad7fe3b80e303aed681186b [0,2,0,0,0,0|2,0,0]=4 5837 B13R0.2 CCCCOCCCNC(=O)COC 693e843cc58dd5fdcb04a0ef3c350060 [0,2,0,0,0,0|2,0,0]=4 5838 B13R0.2 CCCCOCCCNC(=O)CSC 049e3d4c3eb6b609436e3bfe53e05f95 [0,2,0,0,0,0|2,0,0]=4 5839 B13R0.2 CCCCOCCCOC(C)CCC 93ffd3d6787708c0943558b7c52b2d99 [0,2,0,0,0,0|1,0,1]=4 5840 B13R0.2 CCCCOCCNCC(=O)CCC 2e981f6f3ed9eb10d3a3f767ba2d0fe0 [0,2,0,0,0,0|1,0,0]=3 5841 B13R0.2 CCCCOCCNCC(=O)COC b2e5c1af095e221756e783fbbd136e14 [0,2,0,0,0,0|2,0,0]=4 5842 B13R0.2 CCCCOCCNCC(=O)NCC e28fda8fce578e4d9bfdad1c931312a8 [0,2,0,0,0,0|2,0,0]=4 5843 B13R0.2 CCCCOCCNCC(=O)OCC 95f9cc46667b42d25e20cce8c692da5f [0,2,0,0,0,0|2,0,0]=4 5844 B13R0.2 CCCCOCCOCC(=O)CCC f3fb6268b67e0689298a19f5aaf86118 [0,2,0,0,0,0|0,0,0]=2 5845 B13R0.2 CCCCOCCOCC(=O)COC 6bcb033c28459ad60149a9ea44a51917 [0,2,0,0,0,0|1,0,0]=3 5846 B13R0.2 CCCCOCCOCC(=O)NCC 297398a1c6f6c03dc8fdb60c5f55eeab [0,2,0,0,0,0|1,0,0]=3 5847 B13R0.2 CCCCOCCOCC(=O)OCC da37a26050796aa99dfde3b3c80011a0 [0,2,0,0,0,0|1,0,0]=3 5848 B13R0.2 CCCCOCCOCC(C)CCC c2e807a906d44598af5ddb97fe6ab0e1 [0,2,0,0,0,0|1,0,1]=4 5849 B13R0.2 CCCCOCNCCC(=O)OCC d137331dc9321ef95757ecc5ac6a17af [0,2,0,0,0,0|2,0,0]=4 5850 B13R0.2 CCCCOCOCCC(=O)OCC d636ad56c77203e85ed53e615abc1cfe [0,2,0,0,0,0|2,0,0]=4 5851 B13R0.2 CCCCSCCOCC(=O)CCC a00e523923e5af6eb6ce012cabf63ed4 [0,2,0,0,0,0|0,0,0]=2 5852 B13R0.2 CCCCSCCOCC(=O)COC 5cc0a90530fd102ecc7a8c1553dcef72 [0,2,0,0,0,0|1,0,0]=3 5853 B13R0.2 CCCCSCCOCC(=O)NCC f29ee30155e6a869a218e28dfc886d2b [0,2,0,0,0,0|1,0,0]=3 5854 B13R0.2 CCCCSCCOCC(=O)OCC 0dde3ebfaf53f2e0d736609af9408c53 [0,2,0,0,0,0|1,0,0]=3 5855 B13R0.2 CCCCSCCOCC(C)CCC 154928771f9b48eb6040eb057be5f1b7 [0,2,0,0,0,0|1,0,1]=4 5856 B13R0.2 CCCNCCC/C=C/C(=O)OCC 1cde9aa3f04c04ecc2f1a21293ddd571 [0,2,0,0,0,0|2,0,0]=4 5857 B13R0.2 CCCNCCCCCC(=O)OCC 2155c8508ea1d0a2cfa86b886eb73ca1 [0,2,0,0,0,0|2,0,0]=4 5858 B13R0.2 CCCNCCCOCC(=O)OCC 95c6f0fb32318675d666a7816b7fdc6e [0,2,0,0,0,0|1,0,0]=3 5859 B13R0.2 CCCOCCC/C=C/C(=O)OCC 5eabaae5a39a9f33921d4ac80eebea35 [0,2,0,0,0,0|2,0,0]=4 5860 B13R0.2 CCCOCCCCCC(=O)OCC 5ba0b8140b4acc736192f8bf133c0100 [0,2,0,0,0,0|2,0,0]=4 5861 B13R0.2 CCCOCCCCOC(=O)CCC c857a23c3b92b7004cc49326ebad2fa4 [0,2,0,0,0,0|0,0,0]=2 5862 B13R0.2 CCCOCCCNCC(=O)CCC 8ac74121fd37da4770e7ab63a9017073 [0,2,0,0,0,0|1,0,0]=3 5863 B13R0.2 CCCOCCCNCC(=O)COC 9bf0f97b73ce002716ed88cfd5513bb1 [0,2,0,0,0,0|2,0,0]=4 5864 B13R0.2 CCCOCCCNCC(=O)NCC f8eaf59bf68c4e1ec6f59d3ececb6681 [0,2,0,0,0,0|2,0,0]=4 5865 B13R0.2 CCCOCCCNCC(=O)OCC c31792c8623180e2b467ed3d101bd735 [0,2,0,0,0,0|2,0,0]=4 5866 B13R0.2 CCCOCCCOCC(=O)NCC c97c057b463227b3fb0458d94f979fe7 [0,2,0,0,0,0|1,0,0]=3 5867 B13R0.2 CCCOCCCOCC(=O)OCC ceceb5500726d3b7b6cec5cf17990f0e [0,2,0,0,0,0|1,0,0]=3 5868 B13R0.2 CCCOCCCOCC(C)CCC 91688e83dd3bee672980bfc488d6b0d1 [0,2,0,0,0,0|1,0,1]=4 5869 B13R0.2 CCCOCCNCCC(=O)NCC e0fe7e19737da1ff10680b89c33ebf52 [0,2,0,0,0,0|2,0,0]=4 5870 B13R0.2 CCCOCCNCCC(=O)OCC 84eb0a84a4e2909b91906d62a33f1571 [0,2,0,0,0,0|2,0,0]=4 5871 B13R0.2 CCCOCCNCOC(=O)CCC 4b20ca31f2c7863bcd82e2f88dc4ec0c [0,2,0,0,0,0|0,0,0]=2 5872 B13R0.2 CCCOCCNCOC(=O)OCC c59e9ec2251a75484f6fe8de3c6b2264 [0,2,0,0,0,0|1,0,0]=3 5873 B13R0.2 CCCOCCNCOC(=O)SCC 103f60efb8cdc49fce8312b4415c0e74 [0,2,0,0,0,0|1,0,0]=3 5874 B13R0.2 CCCOCCOCCC(=O)NCC 56add0729f4a9ea61072f593c167e473 [0,2,0,0,0,0|2,0,0]=4 5875 B13R0.2 CCCOCCOCCC(=O)OCC cd230f7dfed2296ca35b00d4d0cc7c38 [0,2,0,0,0,0|2,0,0]=4 5876 B13R0.2 CCCOCCOCOC(=O)CCC 87a1d97bc961ebd4a1695a0dd5423fb0 [0,2,0,0,0,0|0,0,0]=2 5877 B13R0.2 CCCOCCOCOC(=O)OCC 94d2f9adbb1c20fc92f730f30d456e53 [0,2,0,0,0,0|1,0,0]=3 5878 B13R0.2 CCCOCCOCOC(=O)SCC e38332496f89e2da9bcf3f50f0420eef [0,2,0,0,0,0|1,0,0]=3 5879 B13R0.2 CCCSCCCCNC(=O)CCC 7ec8f5a044206835e4bad6b613726cb9 [0,2,0,0,0,0|1,0,0]=3 5880 B13R0.2 CCCSCCCCNC(=O)CCF 12ba141ec400cbf3bf45f1d27a2378f0 [0,2,0,0,0,0|2,0,0]=4 5881 B13R0.2 CCCSCCCCNC(=O)CCO 8bf683e6d44902a3709a1d6e891eeaa0 [0,2,0,0,0,0|2,0,0]=4 5882 B13R0.2 CCCSCCCCNC(=O)CCS b19d5ca420181dc9234ab1ff2c99bc8a [0,2,0,0,0,0|2,0,0]=4 5883 B13R0.2 CCCSCCCCNC(=O)COC 7d7f1ef87f018886e82bd2448bc48244 [0,2,0,0,0,0|2,0,0]=4 5884 B13R0.2 CCCSCCCCNC(=O)CSC 27233c1ea42da6ca11249e36922bd93e [0,2,0,0,0,0|2,0,0]=4 5885 B13R0.2 CCCSCCOCCC(=O)NCC 073c3629a7205f75cb6d96014354f02b [0,2,0,0,0,0|2,0,0]=4 5886 B13R0.2 CCCSCCOCCC(=O)OCC 0f8d7b8d008cc5f3c98605b920ff126f [0,2,0,0,0,0|2,0,0]=4 5887 B13R0.2 CCCSCCOCOC(=O)CCC 41295e7e39847a23e6d6c88d5aecc2ee [0,2,0,0,0,0|0,0,0]=2 5888 B13R0.2 CCCSCCOCOC(=O)OCC 759381329c998c0d5498998d94b13709 [0,2,0,0,0,0|1,0,0]=3 5889 B13R0.2 CCCSCCOCOC(=O)SCC f59ea56b905bf19bcd1427704ae5b571 [0,2,0,0,0,0|1,0,0]=3 5890 B13R0.2 CCC[C@@H](C)OCCCCCCC#N 0112475152809328c4730ccd10f5e42b [0,2,0,0,0,0|1,0,1]=4 5891 B13R0.2 CCC[C@@H](C)OCCCCCCC=O 21e49f2269834b02fed1fe660015355a [0,2,0,0,0,0|1,0,1]=4 5892 B13R0.2 CCC[C@@H](C)OCCCCCCOC 9a5c75053e90cd334f5331be8b0e6753 [0,2,0,0,0,0|1,0,1]=4 5893 B13R0.2 CCC[C@@H](C)OCCCOCCOC 5a2e4bf7b6193e28505ca7fba1d5602d [0,2,0,0,0,0|1,0,1]=4 5894 B13R0.2 CCC[C@@H](C)OCCOCCOCC 433bf43d3b8b604f0ef9cbbf65443b8b [0,2,0,0,0,0|1,0,1]=4 5895 B13R0.2 CCC[C@H](C)OCCCCCCC#N 0829182281ca5efdfaeef7f8aa44cfcb [0,2,0,0,0,0|1,0,1]=4 5896 B13R0.2 CCC[C@H](C)OCCCCCCC=O 41aec79f1c3ff71691d7b9fe92ddc70a [0,2,0,0,0,0|1,0,1]=4 5897 B13R0.2 CCC[C@H](C)OCCCCCCOC ffd272bbe790c38c23ddf1610a777a66 [0,2,0,0,0,0|1,0,1]=4 5898 B13R0.2 CCC[C@H](C)OCCCOCCOC b676c63f6ac888fdebcc55a2149d3558 [0,2,0,0,0,0|1,0,1]=4 5899 B13R0.2 CCC[C@H](C)OCCOCCOCC a234564b4e8eea3eae5865a6f6a988be [0,2,0,0,0,0|1,0,1]=4 5900 B13R0.2 CCNC(=O)CCNCCCCCCl ed05f53db15c3b847ce9a6103d5c375c [0,2,0,0,0,0|2,0,0]=4 5901 B13R0.2 CCNC(=O)CCNCCCCCO ef9adace2aca3ce587c5f33baf1a9a7b [0,2,0,0,0,0|2,0,0]=4 5902 B13R0.2 CCNC(=O)CCNCCCCOC d9e59ea7b792b799f3261452d7b047c9 [0,2,0,0,0,0|2,0,0]=4 5903 B13R0.2 CCNC(=O)CCNCCCCSC 2ff4b8d699da9ff91bd3b1335f96af98 [0,2,0,0,0,0|2,0,0]=4 5904 B13R0.2 CCNC(=O)CCNCCCOCC 693e6ffda675e4a6e06b7d8e1ba4cac0 [0,2,0,0,0,0|2,0,0]=4 5905 B13R0.2 CCNC(=O)CCOCCCCOC 1fde4c24449aa5f47248b34ff3d16558 [0,2,0,0,0,0|2,0,0]=4 5906 B13R0.2 CCNC(=O)CCOCCCCSC 1c5034ec59d1f4f13abdf1dbe84b5e0e [0,2,0,0,0,0|2,0,0]=4 5907 B13R0.2 CCNC(=O)CCOCCCOCC 639efd5caa9246e976eee96c473ef3dd [0,2,0,0,0,0|2,0,0]=4 5908 B13R0.2 CCNC(=O)CCOCCCSCC be102c3f71cf7ba209bd84bb6b05be26 [0,2,0,0,0,0|2,0,0]=4 5909 B13R0.2 CCNC(=O)CNCCCCCCCl 7f2fa61422418c49620e5cfda098abaf [0,2,0,0,0,0|2,0,0]=4 5910 B13R0.2 CCNC(=O)CNCCCCCCF 98846ff22766a4949184d5813580c2f0 [0,2,0,0,0,0|2,0,0]=4 5911 B13R0.2 CCNC(=O)CNCCCCCCO 39e7a2216e6e69ee33823fcaa8882955 [0,2,0,0,0,0|2,0,0]=4 5912 B13R0.2 CCNC(=O)CNCCCCCOC ef49f50e652fda8a9de2f5b3adbe14c4 [0,2,0,0,0,0|2,0,0]=4 5913 B13R0.2 CCNC(=O)CNCCCCSCC f429dfbb0226dddb613ab5ec0002d072 [0,2,0,0,0,0|2,0,0]=4 5914 B13R0.2 CCNC(=O)COCCCCCC#N e0bb7a71bde01deb119bcddb3703df0a [0,2,0,0,0,0|1,0,1]=4 5915 B13R0.2 CCNC(=O)COCCCCCC=O 8649257505a053c87e72a4c93ebaf0b2 [0,2,0,0,0,0|1,0,1]=4 5916 B13R0.2 CCNC(=O)COCCCCCCF 6d74c419dfdede7ba8ac995bab2e3507 [0,2,0,0,0,0|1,0,0]=3 5917 B13R0.2 CCNC(=O)COCCCCCCS 99c72ed6384a4aad0cd7249ff31b8c08 [0,2,0,0,0,0|1,0,0]=3 5918 B13R0.2 CCNC(=O)COCCCCCOC 9397635223f133f05c8ed574d9e3d467 [0,2,0,0,0,0|1,0,0]=3 5919 B13R0.2 CCNC(=O)COCCOCCOC ec1bb4dcbeff4bd90768169aba9db553 [0,2,0,0,0,0|2,0,0]=4 5920 B13R0.2 CCNC(=O)NCCCCCOCC 3f00380a3106573fa0b08c0c716156ab [0,2,0,0,0,0|2,0,0]=4 5921 B13R0.2 CCNC(=O)NCCCCCOCF 40a89afee8fcbf3c5f075693c3f30fff [0,2,0,0,0,0|2,0,0]=4 5922 B13R0.2 CCNCCCSCCC(=O)NCC 2e6bfa00da051c8d75475ed814aa892b [0,2,0,0,0,0|2,0,0]=4 5923 B13R0.2 CCOC(=O)CCCCCCOCF 92b76ca30a7cdb84af99f5bf141b6f50 [0,2,0,0,0,0|2,0,0]=4 5924 B13R0.2 CCOC(=O)CCCCCNCCBr ef525ff9968f6e776c7d39eaae17ce93 [0,2,0,0,0,0|2,0,0]=4 5925 B13R0.2 CCOC(=O)CCCCCNCCF 58a678ca865dca7d0d63d8ac51ec7bc5 [0,2,0,0,0,0|2,0,0]=4 5926 B13R0.2 CCOC(=O)CCCCCNCCI 1d387235d8cfc47729661037377b3c0f [0,2,0,0,0,0|2,0,0]=4 5927 B13R0.2 CCOC(=O)CCCCCNCCO eca6623380f493aa84454013352563e9 [0,2,0,0,0,0|2,0,0]=4 5928 B13R0.2 CCOC(=O)CCCCCNCCS cef98a4b65678792c080f373bad86372 [0,2,0,0,0,0|2,0,0]=4 5929 B13R0.2 CCOC(=O)CCCCCNCOC f38c347551b706641ea0781c89fceeb3 [0,2,0,0,0,0|2,0,0]=4 5930 B13R0.2 CCOC(=O)CCCCCNCSC 47c1a6fcd6025c80805102d75269151f [0,2,0,0,0,0|2,0,0]=4 5931 B13R0.2 CCOC(=O)CCCCCOCCF 480428ebedf70f52bd1ba6579da10b0d [0,2,0,0,0,0|2,0,0]=4 5932 B13R0.2 CCOC(=O)CCCCCOCCS 3272057e46dc6dc74140dbcf04f6a028 [0,2,0,0,0,0|2,0,0]=4 5933 B13R0.2 CCOC(=O)CCCCCOCOC f38e8e5f6a44084b41b76999c9f54395 [0,2,0,0,0,0|2,0,0]=4 5934 B13R0.2 CCOC(=O)CCCCCOCSC 9cced77e0b9596af92c29dea1f28294d [0,2,0,0,0,0|2,0,0]=4 5935 B13R0.2 CCOC(=O)CCCCNCCCCl 0d4d5f35a771026861f2cf4aca1e9569 [0,2,0,0,0,0|2,0,0]=4 5936 B13R0.2 CCOC(=O)CCCCNCCCO 0db48539e491619ebf8f8f24cb72fcd4 [0,2,0,0,0,0|2,0,0]=4 5937 B13R0.2 CCOC(=O)CCCCNCCOC 8fa61e3009e1444337c4244a2e2753f1 [0,2,0,0,0,0|2,0,0]=4 5938 B13R0.2 CCOC(=O)CCCCNCCSC 55466f854699de556ba65bffe10bba30 [0,2,0,0,0,0|2,0,0]=4 5939 B13R0.2 CCOC(=O)CCCCOCCCF 86b07089034abe275f643801e6805623 [0,2,0,0,0,0|2,0,0]=4 5940 B13R0.2 CCOC(=O)CCCCOCCCS 37cb434a0c1f2eb8f974792041831805 [0,2,0,0,0,0|2,0,0]=4 5941 B13R0.2 CCOC(=O)CCCCOCCOC cc29d85e7a850b676df932de9f373db2 [0,2,0,0,0,0|2,0,0]=4 5942 B13R0.2 CCOC(=O)CCCCOCCSC 2cf2f4189aa96a3f0f11962067de7848 [0,2,0,0,0,0|2,0,0]=4 5943 B13R0.2 CCOC(=O)CCCNCCCCCl ba03c4f0c2870cb0c4322e95218f2de3 [0,2,0,0,0,0|2,0,0]=4 5944 B13R0.2 CCOC(=O)CCCNCCCCF 2b60bde7dca983c8064895985de22c38 [0,2,0,0,0,0|2,0,0]=4 5945 B13R0.2 CCOC(=O)CCCNCCCCO 92d75774fdb6f432c8e223df6d33c0b9 [0,2,0,0,0,0|2,0,0]=4 5946 B13R0.2 CCOC(=O)CCCNCCCCS 46bc71ded023f66ea9cd84a0d70e4c4b [0,2,0,0,0,0|2,0,0]=4 5947 B13R0.2 CCOC(=O)CCCNCCCOC b895479824b2f52d3fd889dab866c6bf [0,2,0,0,0,0|2,0,0]=4 5948 B13R0.2 CCOC(=O)CCCNCCCSC bcd1e8acfb8eea0a421ada8daa3afdbe [0,2,0,0,0,0|2,0,0]=4 5949 B13R0.2 CCOC(=O)CCCNCCSCC 57f6ccc580a5efafe258c7e05d3c6fff [0,2,0,0,0,0|2,0,0]=4 5950 B13R0.2 CCOC(=O)CCCOCCCCF 1ceb1486c38ee8306378b638c85729b4 [0,2,0,0,0,0|2,0,0]=4 5951 B13R0.2 CCOC(=O)CCCOCCCCS 1f065fc4377665f4bafa915f515b8e57 [0,2,0,0,0,0|2,0,0]=4 5952 B13R0.2 CCOC(=O)CCCOCCCOC c2143c3a517b69349774c70d0a3b7a18 [0,2,0,0,0,0|2,0,0]=4 5953 B13R0.2 CCOC(=O)CCCOCCCSC 19c799cb8ae64afaa05e1d48456832cc [0,2,0,0,0,0|2,0,0]=4 5954 B13R0.2 CCOC(=O)CCCOCCSCC bc0bec0f3238d4b33ae2d87d96609463 [0,2,0,0,0,0|2,0,0]=4 5955 B13R0.2 CCOC(=O)CCNCCCCCCl fb469e7ec07b2fd8ad837c815bf0670c [0,2,0,0,0,0|2,0,0]=4 5956 B13R0.2 CCOC(=O)CCNCCCCCF 8eccf9e6b84924a5a1650d1ddb9d4df2 [0,2,0,0,0,0|2,0,0]=4 5957 B13R0.2 CCOC(=O)CCNCCCCCO 177d79493cbe7b6252b8632e436ef214 [0,2,0,0,0,0|2,0,0]=4 5958 B13R0.2 CCOC(=O)CCNCCCCOC 6d91180a081efc2e220ac501e4b8a9e9 [0,2,0,0,0,0|2,0,0]=4 5959 B13R0.2 CCOC(=O)CCNCCCCSC 9a7a3718c26cd76adc571c20f5aa49f8 [0,2,0,0,0,0|2,0,0]=4 5960 B13R0.2 CCOC(=O)CCNCCCSCC 03e29fb101b4ef6eb40549b100f2f1cb [0,2,0,0,0,0|2,0,0]=4 5961 B13R0.2 CCOC(=O)CCOCCCCCF 84a465b84f6384f905ce1758499430dd [0,2,0,0,0,0|2,0,0]=4 5962 B13R0.2 CCOC(=O)CCOCCCCOC dcbbc3a5d8934a4e6dec1623edc0648a [0,2,0,0,0,0|2,0,0]=4 5963 B13R0.2 CCOC(=O)CCOCCCCSC 5a7ab5624e62ddfd7bd72bcba0c8f313 [0,2,0,0,0,0|2,0,0]=4 5964 B13R0.2 CCOC(=O)CCOCCCSCC 7f3845ba98a71ff12b3ae9becc02020e [0,2,0,0,0,0|2,0,0]=4 5965 B13R0.2 CCOC(=O)CNCCCCCCCl e183d3377cbc5d5cfe302f04ade1525b [0,2,0,0,0,0|2,0,0]=4 5966 B13R0.2 CCOC(=O)CNCCCCCCF 9c7b3ac33ba7d4e72f32dbbf54b9d9ea [0,2,0,0,0,0|2,0,0]=4 5967 B13R0.2 CCOC(=O)CNCCCCCCO 2ab38fc69ba7745cc7e2ec867ea3986f [0,2,0,0,0,0|2,0,0]=4 5968 B13R0.2 CCOC(=O)CNCCCCCOC 89d5e5a744e3752c37074ca0be03333a [0,2,0,0,0,0|2,0,0]=4 5969 B13R0.2 CCOC(=O)CNCCCCSCC c74158c532cd088ab41a222392e344e6 [0,2,0,0,0,0|2,0,0]=4 5970 B13R0.2 CCOC(=O)COCCCCCC#N 3f7231ebcc69fadb3fa9db30e9b1af85 [0,2,0,0,0,0|1,0,1]=4 5971 B13R0.2 CCOC(=O)COCCCCCC=O 42c03c3afb955c8f71dd2481c54b02a1 [0,2,0,0,0,0|1,0,1]=4 5972 B13R0.2 CCOC(=O)COCCCCCCF 726acd625c604cb3966b769d2594ebab [0,2,0,0,0,0|1,0,0]=3 5973 B13R0.2 CCOC(=O)COCCCCCCS ded517fb7a162351c96ac923da6cfaaa [0,2,0,0,0,0|1,0,0]=3 5974 B13R0.2 CCOC(=O)COCCCCCOC ee6a56394b4514d5e2ef6b9ac93177a5 [0,2,0,0,0,0|1,0,0]=3 5975 B13R0.2 CCOC(=O)COCCCNCCO a8fe41c81dcaa78e3f0ac0f2d68d8e09 [0,2,0,0,0,0|2,0,0]=4 5976 B13R0.2 CCOC(=O)COCCCOCCF 908bce7abbe45cb6b3e39913964913e1 [0,2,0,0,0,0|2,0,0]=4 5977 B13R0.2 CCOC(=O)COCCCOCCS 4d4b6715235e40a3bbad9c7e10cab162 [0,2,0,0,0,0|2,0,0]=4 5978 B13R0.2 CCOC(=O)COCCCOCOC 6f3a8197d6b2dbef7309d38220b02e65 [0,2,0,0,0,0|2,0,0]=4 5979 B13R0.2 CCOC(=O)COCCCOCSC b0a6af8cd00bdab1ae3d54db9b24a056 [0,2,0,0,0,0|2,0,0]=4 5980 B13R0.2 CCOC(=O)COCCNCCCO 460ef76619034a848c640b89c82cb16d [0,2,0,0,0,0|2,0,0]=4 5981 B13R0.2 CCOC(=O)COCCOCCCF 30f595d883b7927da234ca4e1f6fa512 [0,2,0,0,0,0|2,0,0]=4 5982 B13R0.2 CCOC(=O)COCCOCCCS 3582c7de03afd8371e6ac8bec616d590 [0,2,0,0,0,0|2,0,0]=4 5983 B13R0.2 CCOC(=O)COCCOCCOC e6a083d88f0088aea3ec23d30adf2868 [0,2,0,0,0,0|2,0,0]=4 5984 B13R0.2 CCOC(=O)COCCOCCSC 73e2caae2695ad3d234095fa8bee8b2c [0,2,0,0,0,0|2,0,0]=4 5985 B13R0.2 CCOC(=O)OCNCCCCC#N 4e1fdda18a6cf82f0b75c2f37736fcfe [0,2,0,0,0,0|1,0,1]=4 5986 B13R0.2 CCOC(=O)OCNCCCCCCl 953eafe881dac60d1f86928209f75c90 [0,2,0,0,0,0|1,0,0]=3 5987 B13R0.2 CCOC(=O)OCNCCCCCO d8f94bc44e0f81bab489502877ce6187 [0,2,0,0,0,0|1,0,0]=3 5988 B13R0.2 CCOC(=O)OCNCCCCOC ce221e193c7f5e0863f390a179acf5d8 [0,2,0,0,0,0|1,0,0]=3 5989 B13R0.2 CCOC(=O)OCNCCCCSC eb7b2ebdf80c4c100b9aaf658e48a7e7 [0,2,0,0,0,0|1,0,0]=3 5990 B13R0.2 CCOC(=O)OCNCCOCCO 133bb213c5b3ea33815243dae95fca3d [0,2,0,0,0,0|2,0,0]=4 5991 B13R0.2 CCOC(=O)OCNCCOCCS 8a670df37f7d4e40a919e9ddba26af3a [0,2,0,0,0,0|2,0,0]=4 5992 B13R0.2 CCOC(=O)OCNCCSCCO 09e95d6b39e247fd51f682762fb88f03 [0,2,0,0,0,0|2,0,0]=4 5993 B13R0.2 CCOC(=O)OCOCCCCC#N 148cedcedb9078ffc8b701147b1c28dc [0,2,0,0,0,0|1,0,1]=4 5994 B13R0.2 CCOC(=O)OCOCCCCC=O fc9991c02c6f5f11b2c97845d281faf6 [0,2,0,0,0,0|1,0,1]=4 5995 B13R0.2 CCOC(=O)OCOCCCCOC 23afbbae9a7068cbbda5f8d084efcef9 [0,2,0,0,0,0|1,0,0]=3 5996 B13R0.2 CCOC(=O)OCOCCCCSC 4f9fe8b7b786111003bab6c852a7dda9 [0,2,0,0,0,0|1,0,0]=3 5997 B13R0.2 CCOC(=O)OCOCCCSCC e4827849a14b6fdff996dea1df11deab [0,2,0,0,0,0|1,0,0]=3 5998 B13R0.2 CCOC(=O)OCOCCOCCF 4b0e5658227d0eeccba873d46ecb9a36 [0,2,0,0,0,0|2,0,0]=4 5999 B13R0.2 CCOC(=O)OCOCCOCCS b28d32da00b3fba55dc176a612691ae6 [0,2,0,0,0,0|2,0,0]=4 6000 B13R0.2 CCOCCCCCCC(=O)OCC 369101502abbabdd99c66bce4dd9ee99 [0,2,0,0,0,0|2,0,0]=4 6001 B13R0.2 CCOCCCNCCC(=O)OCC 0dbb784f5ff206b8c6c39f556c7f6824 [0,2,0,0,0,0|2,0,0]=4 6002 B13R0.2 CCOCCCNCOC(=O)OCC 4d354fe835cbec1dbbd2fb0a78ae63ec [0,2,0,0,0,0|1,0,0]=3 6003 B13R0.2 CCOCCCNCOC(=O)SCC a8f5f1a58fda886779441cdf8589b707 [0,2,0,0,0,0|1,0,0]=3 6004 B13R0.2 CCOCCCOCCC(=O)OCC f04b40b57cadbdbbc916aaf4620e3fca [0,2,0,0,0,0|2,0,0]=4 6005 B13R0.2 CCOCCCOCOC(=O)OCC 4ccafb24cd83697d241264637c415b60 [0,2,0,0,0,0|1,0,0]=3 6006 B13R0.2 CCOCCCOCOC(=O)SCC d878f3d2bed7e878dc4c08d14d11f930 [0,2,0,0,0,0|1,0,0]=3 6007 B13R0.2 CCOCCNCCCC(=O)OCC bc40fc703d5bac9e9aeaf9d005c39262 [0,2,0,0,0,0|2,0,0]=4 6008 B13R0.2 CCOCCOCCCC(=O)OCC 825f259187541cfd08d401ebe15df60e [0,2,0,0,0,0|2,0,0]=4 6009 B13R0.2 CCOCCOCCNC(=O)CCF 569670b51f9ab297f32e9ec2c07fe962 [0,2,0,0,0,0|2,0,0]=4 6010 B13R0.2 CCOCCOCCNC(=O)CCO 2fed64e60f68c05ade8947a51a7af0f2 [0,2,0,0,0,0|2,0,0]=4 6011 B13R0.2 CCOCCOCCNC(=O)CCS c9151dc30e6bbaebd56bfc9bd471e06e [0,2,0,0,0,0|2,0,0]=4 6012 B13R0.2 CCOCCOCCNC(=O)COC 270f9280d9a5fcaad6e771b939d75e96 [0,2,0,0,0,0|2,0,0]=4 6013 B13R0.2 CCOCCOCCNC(=O)CSC e773c6d93881757631520b64c1459e83 [0,2,0,0,0,0|2,0,0]=4 6014 B13R0.2 CCOCOCCCCC(=O)OCC e7ae20e52388d543a64157898c61897e [0,2,0,0,0,0|2,0,0]=4 6015 B13R0.2 CCSC(=O)OCNCCCCC#N eacb3d686d9f7c9706d39414acf6c9a9 [0,2,0,0,0,0|1,0,1]=4 6016 B13R0.2 CCSC(=O)OCNCCCCCCl 212df098e31f6f7fa3be9365c89f7139 [0,2,0,0,0,0|1,0,0]=3 6017 B13R0.2 CCSC(=O)OCNCCCCCO 622662851e6639f9817b842e9383bb11 [0,2,0,0,0,0|1,0,0]=3 6018 B13R0.2 CCSC(=O)OCNCCCCOC a71fec2c1ae2657fc4c09e0162f5e21b [0,2,0,0,0,0|1,0,0]=3 6019 B13R0.2 CCSC(=O)OCNCCCCSC 7304c1437807182781c7f237bb940072 [0,2,0,0,0,0|1,0,0]=3 6020 B13R0.2 CCSC(=O)OCNCCOCCO 9cfeb59204dab14dc025955e29aac771 [0,2,0,0,0,0|2,0,0]=4 6021 B13R0.2 CCSC(=O)OCNCCOCCS e18295f2f220011ac615bd6e6ad86a34 [0,2,0,0,0,0|2,0,0]=4 6022 B13R0.2 CCSC(=O)OCNCCSCCO 574a766dce235f7c9ccfcc95539f04f3 [0,2,0,0,0,0|2,0,0]=4 6023 B13R0.2 CCSC(=O)OCOCCCCC#N 8d997397e2fc56a0487fc5aa92f1524a [0,2,0,0,0,0|1,0,1]=4 6024 B13R0.2 CCSC(=O)OCOCCCCC=O 4acf45e5198dbf642b9b9e8c1aff11da [0,2,0,0,0,0|1,0,1]=4 6025 B13R0.2 CCSC(=O)OCOCCCCOC 234068d52c721a8e8eee6748db6dca7f [0,2,0,0,0,0|1,0,0]=3 6026 B13R0.2 CCSC(=O)OCOCCCCSC 2431485b04d86076ccedbc170690b199 [0,2,0,0,0,0|1,0,0]=3 6027 B13R0.2 CCSC(=O)OCOCCOCCF 6da83affedcd552adf6fcd1d03ff8c9b [0,2,0,0,0,0|2,0,0]=4 6028 B13R0.2 CCSC(=O)OCOCCOCCS 572681826963092104738c0b49c24e33 [0,2,0,0,0,0|2,0,0]=4 6029 B13R0.2 CCSCCCCNCC(=O)COC 5526eeab82a8fb3d59791e13e35ffbc5 [0,2,0,0,0,0|2,0,0]=4 6030 B13R0.2 CCSCCCOCOC(=O)SCC 0d733fcdc668e002b91496e121b5b6b2 [0,2,0,0,0,0|1,0,0]=3 6031 B13R0.2 COCC(=O)CNCCCCCCCl d85e92ec80c610c510ecd9951e0d4e6d [0,2,0,0,0,0|2,0,0]=4 6032 B13R0.2 COCC(=O)CNCCCCCCO d059aaa69c5b3a9748970b2ad5c3af9a [0,2,0,0,0,0|2,0,0]=4 6033 B13R0.2 COCC(=O)COCCCCCC#N 88ccc1efdfed16e49a5424407b8adccb [0,2,0,0,0,0|1,0,1]=4 6034 B13R0.2 COCC(=O)COCCCCCCF 24ae892c96cdfb4ecff4e4e7785c5923 [0,2,0,0,0,0|1,0,0]=3 6035 B13R0.2 COCC(=O)COCCCCCCS d2105604e1fbc54b189e36d73236cdcc [0,2,0,0,0,0|1,0,0]=3 6036 B13R0.2 COCC(=O)NCCCCCCCO 1ea0500e0cbf2d54c18b4d34e33227a5 [0,2,0,0,0,0|2,0,0]=4 6037 B13R0.2 COCC(=O)NCCCCSCCO 51ea4f524aa5de03513b1554cec129b3 [0,2,0,0,0,0|2,0,0]=4 6038 B13R0.2 COCC(=O)NCCCOCCCO 63997ee7388975a0c209a5f189f6920f [0,2,0,0,0,0|2,0,0]=4 6039 B13R0.2 COCC(=O)NCCCOCCSC 44a92b6521718b9a7abdf50ce108576b [0,2,0,0,0,0|2,0,0]=4 6040 B13R0.2 COCCCCCNCC(=O)COC 6928b7e488d1e7b08d0e47c930fabeac [0,2,0,0,0,0|2,0,0]=4 6041 B13R0.2 COCCOCCCNC(=O)CCF 7a37a25494dd7f56052384474c9f3907 [0,2,0,0,0,0|2,0,0]=4 6042 B13R0.2 COCCOCCCNC(=O)CCO dee1e2dfc84f7318a068cdca340ff50c [0,2,0,0,0,0|2,0,0]=4 6043 B13R0.2 COCCOCCCNC(=O)CCS ae96ad03993edd933563220a487fe571 [0,2,0,0,0,0|2,0,0]=4 6044 B13R0.2 COCCOCCCNC(=O)COC 564f561a2f9e9135094a7868e363fa78 [0,2,0,0,0,0|2,0,0]=4 6045 B13R0.2 COCCOCCCNC(=O)CSC 020d12708faf2e8b4fa059e539bcee80 [0,2,0,0,0,0|2,0,0]=4 6046 B13R0.2 COCCOCCOCC(=O)COC ebe772c4300f5ba9bb3adb413c6fcf31 [0,2,0,0,0,0|2,0,0]=4 6047 B13R0.2 CSCC(=O)NCCCCCCCO f20d2e2135bb8572f50f2a32cf56dce9 [0,2,0,0,0,0|2,0,0]=4 6048 B13R0.2 CSCC(=O)NCCCCSCCO 2ffbf200250d4ac4a06dd1006a6b2b81 [0,2,0,0,0,0|2,0,0]=4 6049 B13R0.2 CSCC(=O)NCCCOCCCO fecf4bc4eeb2d2120ab89c27532e7029 [0,2,0,0,0,0|2,0,0]=4 6050 B13R0.2 CSCCOCCCNC(=O)CCF a9cffe3f8b982cc44afbf0d9b759127a [0,2,0,0,0,0|2,0,0]=4 6051 B13R0.2 CSCCOCCCNC(=O)CCO c57aceaedfaf33ce0c4a6663a9704060 [0,2,0,0,0,0|2,0,0]=4 6052 B13R0.2 CSCCOCCCNC(=O)CCS a9d5fe738314c7f0b5af58fc0732ec58 [0,2,0,0,0,0|2,0,0]=4 6053 B13R0.2 CSCCOCCCNC(=O)CSC 555b0a38daf928c1423863334c94ee32 [0,2,0,0,0,0|2,0,0]=4 6054 B13R0.2 O=C(CCF)NCCCCCCCO dc4c2079e01b8730775e200813228b8b [0,2,0,0,0,0|2,0,0]=4 6055 B13R0.2 O=C(CCF)NCCCCSCCO a499da56bfac25232eb2bc0ba2bea4d7 [0,2,0,0,0,0|2,0,0]=4 6056 B13R0.2 O=C(CCF)NCCCOCCCO 563241dac00ca16db58627fbc4830150 [0,2,0,0,0,0|2,0,0]=4 6057 B13R0.2 O=C(CCO)NCCCCCCCO 5e13475730ccd5c3cfa6504ea455bcf3 [0,2,0,0,0,0|2,0,0]=4 6058 B13R0.2 O=C(CCO)NCCCCSCCO c0965d04380d9a30f3c4063564647754 [0,2,0,0,0,0|2,0,0]=4 6059 B13R0.2 O=C(CCO)NCCCOCCCO acf7a0c3118dd1ea90fe4f49b1dabbd6 [0,2,0,0,0,0|2,0,0]=4 6060 B13R0.2 O=C(CCS)NCCCCCCCO 250b67de3080030aa68f01bacd6197cd [0,2,0,0,0,0|2,0,0]=4 6061 B13R0.2 O=C(CCS)NCCCCSCCO 9dc36c230a386f57312dedad138128ea [0,2,0,0,0,0|2,0,0]=4 6062 B13R0.2 O=C(CCS)NCCCOCCCO 08b1d582f42c7d1ea2c406a3dc143c3a [0,2,0,0,0,0|2,0,0]=4 6063 B13R0.66 C#CCCC(=O)CCOCCCCC ad243147471fee01ac4e77db25385b2c [0,2,0,0,0,0|1,0,1]=4 6064 B13R0.66 C#CCCC(=O)NCCCCCCC 20583ecfa7af0f724dacce259fd683f0 [0,2,0,0,0,0|1,0,1]=4 6065 B13R0.66 C#CCCC(=O)NCCCCCCCl a2f1c2aba4d6a60cdd32a5487c95a322 [0,2,0,0,0,0|1,0,1]=4 6066 B13R0.66 C#CCCC(=O)NCCCCCCO e5f59f43d2cf1f7e979a804dbc7e15cb [0,2,0,0,0,0|1,0,1]=4 6067 B13R0.66 C#CCCC(=O)NCCCCCOC 8a417d71d0e4c95b6b97f5ca6dcd1361 [0,2,0,0,0,0|1,0,1]=4 6068 B13R0.66 C#CCCC(=O)NCCCCSCC 9890b13951f1266a490248619e4fb4c1 [0,2,0,0,0,0|1,0,1]=4 6069 B13R0.66 C#CCCC(=O)NCCCOCCC e1b865ecb1241539805488d3c3f73c92 [0,2,0,0,0,0|1,0,1]=4 6070 B13R0.66 C#CCCC(=O)NCCNCCCC ec4d4e1f255111afaf69ff9a9a0006fb [0,2,0,0,0,0|1,0,1]=4 6071 B13R0.66 C#CCCC(=O)NCCOCCCC 4cbd4d3a65207242e9e4e64dc1b29048 [0,2,0,0,0,0|1,0,1]=4 6072 B13R0.66 C#CCCCCCCC(=O)NCCC da27eedecfd11ce7e863063424a34b1f [0,2,0,0,0,0|1,0,1]=4 6073 B13R0.66 C#CCCCCCNC(=O)CCCC 582297bd81d90cea6fa84c5da9385330 [0,2,0,0,0,0|1,0,1]=4 6074 B13R0.66 C#CCCCCCNC(=O)CCCF 4f1f57d3150294346e3103a85115ec63 [0,2,0,0,0,0|1,0,1]=4 6075 B13R0.66 C#CCCCCCNC(=O)CCCS 91378ef2d097e7c4f4ceabd077d2b0d4 [0,2,0,0,0,0|1,0,1]=4 6076 B13R0.66 C#CCCCCCNC(=O)CCOC 1a4d0fad3992100e6328d7308572ecad [0,2,0,0,0,0|1,0,1]=4 6077 B13R0.66 C#CCCCCCNC(=O)CCSC f69b639110d22076f07b0ff6e8c729e5 [0,2,0,0,0,0|1,0,1]=4 6078 B13R0.66 C#CCCCCCNC(=O)COCC 33c36a2e926e6a802b04432e149e9d22 [0,2,0,0,0,0|1,0,1]=4 6079 B13R0.66 C#CCCCCCNC(=O)CSCC dab55a8a1926a6d6317ed7b37da5d92f [0,2,0,0,0,0|1,0,1]=4 6080 B13R0.66 C#CCCCCCNC(=O)NCCC 1e162de4a2327109cfb468774e31d73b [0,2,0,0,0,0|1,0,1]=4 6081 B13R0.66 C#CCCCCOCC(=O)CCSC 3672a887722a67f07d8d565741d55aa1 [0,2,0,0,0,0|0,0,2]=4 6082 B13R0.66 C#CCCCCOCC(=O)NCCC a8f56e25f88ba3a8b2a11988ae9f416c [0,2,0,0,0,0|0,0,2]=4 6083 B13R0.66 C#CCCCCOCC(=O)OCCC b72c53ffd30db69d755f4cd5ee6b6f6d [0,2,0,0,0,0|0,0,2]=4 6084 B13R0.66 C#CCCCNCOC(=O)CCCC 6245fc6f2464c1374313824fefd8152c [0,2,0,0,0,0|0,0,2]=4 6085 B13R0.66 C#CCCCNCOC(=O)OCCC b32298450f053b466ec12484050212c6 [0,2,0,0,0,0|0,0,2]=4 6086 B13R0.66 C#CCCCOCOC(=O)CCCC 1c5ed1e8eaa4b08b434110fff1491b25 [0,2,0,0,0,0|0,0,2]=4 6087 B13R0.66 C#CCCCOCOC(=O)OCCC 49eab25728a7db67d17628d71e2376b6 [0,2,0,0,0,0|0,0,2]=4 6088 B13R0.66 C#CCNC(=O)COCCCCCC b82f6ddc5981808af22420c0c117e819 [0,2,0,0,0,0|0,0,2]=4 6089 B13R0.66 C/C=C/CC(=O)NCCCCCCC ee9299efd5f96002aff2ed4cc728abc6 [0,2,0,0,0,0|1,0,1]=4 6090 B13R0.66 C/C=C/CC(=O)NCCCCCCCl db340e69acad82b3e862d325b659ed9b [0,2,0,0,0,0|1,0,1]=4 6091 B13R0.66 C/C=C/CC(=O)NCCCCCCO a03871fda214e01fda283ad48ac4e3ef [0,2,0,0,0,0|1,0,1]=4 6092 B13R0.66 C/C=C/CC(=O)NCCCCCOC 3f355a9a44bf389f12ca6957a03154eb [0,2,0,0,0,0|1,0,1]=4 6093 B13R0.66 C/C=C/CC(=O)NCCCCSCC 2e9962e5853a642b9660f0e1bacc2c09 [0,2,0,0,0,0|1,0,1]=4 6094 B13R0.66 C/C=C/CC(=O)NCCCOCCC 519e746ced9a40dc7df61aec2a9d1c00 [0,2,0,0,0,0|1,0,1]=4 6095 B13R0.66 C/C=C/CC(=O)NCCOCCCC e9c495ce2a2b31bc91097a5ab989ab88 [0,2,0,0,0,0|1,0,1]=4 6096 B13R0.66 C/C=C/CCCOCC(=O)CCSC d8a4728eaad514b0aa2637bce73d1463 [0,2,0,0,0,0|0,0,2]=4 6097 B13R0.66 C/C=C/CCCOCC(=O)NCCC 889793c62833d70843e1f4cb33719758 [0,2,0,0,0,0|0,0,2]=4 6098 B13R0.66 C/C=C/CCCOCC(=O)OCCC 3dea20fff8929cf7256195e93337115f [0,2,0,0,0,0|0,0,2]=4 6099 B13R0.66 C/C=C/CCOCOC(=O)CCCC 89d968f107bcd8c55f7fa1c16a5b2813 [0,2,0,0,0,0|0,0,2]=4 6100 B13R0.66 C/C=C/CCOCOC(=O)OCCC 57e5e35d4836f6900139967f382b3636 [0,2,0,0,0,0|0,0,2]=4 6101 B13R0.66 C/C=C\CCCOCC(=O)CCSC e8bf11a8bf438e111eaebdb3927d2420 [0,2,0,0,0,0|0,0,2]=4 6102 B13R0.66 C/C=C\CCCOCC(=O)NCCC 39a36c11bd70e99907336b28cb024664 [0,2,0,0,0,0|0,0,2]=4 6103 B13R0.66 C/C=C\CCCOCC(=O)OCCC b41d931072de495637fb97ad27039403 [0,2,0,0,0,0|0,0,2]=4 6104 B13R0.66 C=C(COCCCCCC)OCOC a5fd2f3f46fbcb6098c9aa13ee59f04f [0,2,0,0,0,0|2,0,0]=4 6105 B13R0.66 C=CCCC(=O)NCCCCCCC 762baa5360916598390cbd3bd4a6665c [0,2,0,0,0,0|1,0,1]=4 6106 B13R0.66 C=CCCC(=O)NCCCCCCCl d6ba93aff4ab4b26fbdf7abe920b20c6 [0,2,0,0,0,0|1,0,1]=4 6107 B13R0.66 C=CCCC(=O)NCCCCCCO f3192e0ba19d2c4c12875ec13010a0d0 [0,2,0,0,0,0|1,0,1]=4 6108 B13R0.66 C=CCCC(=O)NCCCCCOC 54bb05c82999e7eab2b8ade2a6f52a4e [0,2,0,0,0,0|1,0,1]=4 6109 B13R0.66 C=CCCC(=O)NCCCCSCC c4b63d825d20048e3a79feb38cc32828 [0,2,0,0,0,0|1,0,1]=4 6110 B13R0.66 C=CCCC(=O)NCCCOCCC e21d85330b8aecfaeb2a30960953e3cc [0,2,0,0,0,0|1,0,1]=4 6111 B13R0.66 C=CCCC(=O)NCCOCCCC b6036625d322b75b52ade80da34a789c [0,2,0,0,0,0|1,0,1]=4 6112 B13R0.66 C=CCCCCCCC(=O)NCCC 4d87676e2c1041c14196446f104b0ec5 [0,2,0,0,0,0|1,0,1]=4 6113 B13R0.66 C=CCCCCCNC(=O)CCCC 796c1df6440bc87939feaec1968b01e9 [0,2,0,0,0,0|1,0,1]=4 6114 B13R0.66 C=CCCCCCNC(=O)CCCF 9067598946861928a094ac65d21c592b [0,2,0,0,0,0|1,0,1]=4 6115 B13R0.66 C=CCCCCCNC(=O)CCCS d3d740124b5d74144c64ff5363b48037 [0,2,0,0,0,0|1,0,1]=4 6116 B13R0.66 C=CCCCCCNC(=O)CCOC 853ddde440dc4fe12fd5f0f7754709c7 [0,2,0,0,0,0|1,0,1]=4 6117 B13R0.66 C=CCCCCCNC(=O)CCSC 482a871ee6007c15d27dde26fb97a44a [0,2,0,0,0,0|1,0,1]=4 6118 B13R0.66 C=CCCCCCNC(=O)COCC 14ff9bfa98c5eb746a8662e9e31f01e4 [0,2,0,0,0,0|1,0,1]=4 6119 B13R0.66 C=CCCCCCNC(=O)CSCC f9b81de81c110da6f0950dca908ae603 [0,2,0,0,0,0|1,0,1]=4 6120 B13R0.66 C=CCCCCCNC(=O)NCCC d7e6f8d474602bf72b3872133583a456 [0,2,0,0,0,0|1,0,1]=4 6121 B13R0.66 C=CCCCCOCC(=O)CCSC eda1e94a516925ecf9cd774b8cccc224 [0,2,0,0,0,0|0,0,2]=4 6122 B13R0.66 C=CCCCCOCC(=O)NCCC 0c8f326234060ff6605732009819c6f5 [0,2,0,0,0,0|0,0,2]=4 6123 B13R0.66 C=CCCCCOCC(=O)OCCC 87e81fc6c9aeb88d27ab3d9c6aeaaf82 [0,2,0,0,0,0|0,0,2]=4 6124 B13R0.66 C=CCCCNCOC(=O)CCCC 0db7221839ad517a6f8ee2f3c3d6efcc [0,2,0,0,0,0|0,0,2]=4 6125 B13R0.66 C=CCCCNCOC(=O)OCCC 397a0dd9465e845284568b763ec34c4b [0,2,0,0,0,0|0,0,2]=4 6126 B13R0.66 C=CCCCOCOC(=O)CCCC 41b2c111be25c8b3e13e79abc520d05f [0,2,0,0,0,0|0,0,2]=4 6127 B13R0.66 C=CCCCOCOC(=O)OCCC fb53b14f0bc914939080f8d36c7a071f [0,2,0,0,0,0|0,0,2]=4 6128 B13R0.66 C=CCNC(=O)COCCCCCC 5363948a8b768ecf24fa43cc0e8fd308 [0,2,0,0,0,0|0,0,2]=4 6129 B13R0.66 C=CCOC(=O)COCCCCCC ec0c196f9aed959ee44d1a0f5a4adc0b [0,2,0,0,0,0|0,0,2]=4 6130 B13R0.66 CC#CCC(=O)NCCCCCCC ce48c61b04a61fd86709d1131716b8a7 [0,2,0,0,0,0|1,0,1]=4 6131 B13R0.66 CC#CCC(=O)NCCCCCCCl db187d1247c7e736f670264f0217421f [0,2,0,0,0,0|1,0,1]=4 6132 B13R0.66 CC#CCC(=O)NCCCCCCO be4ffe2476ba1434faa4dfb56de174c6 [0,2,0,0,0,0|1,0,1]=4 6133 B13R0.66 CC#CCC(=O)NCCCCCOC f8680bf0ccdc62360c4882c2fecb5bc0 [0,2,0,0,0,0|1,0,1]=4 6134 B13R0.66 CC#CCC(=O)NCCCCSCC 9192f8c8c9a8af64e9512c5167b75cf4 [0,2,0,0,0,0|1,0,1]=4 6135 B13R0.66 CC#CCC(=O)NCCCOCCC 90206c691826b918a12cb40f4ab6e668 [0,2,0,0,0,0|1,0,1]=4 6136 B13R0.66 CC#CCC(=O)NCCOCCCC f26dbed20210518e13b0056f95f5b38b [0,2,0,0,0,0|1,0,1]=4 6137 B13R0.66 CC#CCCCOCC(=O)CCSC bbbca730f0bd2d200492940164a59504 [0,2,0,0,0,0|0,0,2]=4 6138 B13R0.66 CC#CCCCOCC(=O)NCCC 29e482eca1f3ca50b87f081b7fdfa656 [0,2,0,0,0,0|0,0,2]=4 6139 B13R0.66 CC#CCCCOCC(=O)OCCC 4ead97ff7fedafd5711e73673210ea3e [0,2,0,0,0,0|0,0,2]=4 6140 B13R0.66 CC#CCCOCOC(=O)CCCC a3c4f52c97d2b10b2412cf1f93a07ddb [0,2,0,0,0,0|0,0,2]=4 6141 B13R0.66 CC#CCCOCOC(=O)OCCC ca4ca6fa886ea6cd716e8ff67b73b056 [0,2,0,0,0,0|0,0,2]=4 6142 B13R0.66 CC/C=C/C(=O)NCCCCCCC 05ac8071f68c6a0cc57072f1bb63bcc0 [0,2,0,0,0,0|1,0,1]=4 6143 B13R0.66 CC/C=C/C(=O)NCCCCCCCl d870ff0625bd262d6cd1955d27fca560 [0,2,0,0,0,0|1,0,1]=4 6144 B13R0.66 CC/C=C/C(=O)NCCCCCCO 6de1e599fbebada512a8b41dc40ef2c4 [0,2,0,0,0,0|1,0,1]=4 6145 B13R0.66 CC/C=C/C(=O)NCCCCCOC e97ab42ffe27b72463444e7b551c59df [0,2,0,0,0,0|1,0,1]=4 6146 B13R0.66 CC/C=C/C(=O)NCCCCSCC 9000f4ef1e86ef9e87437fa34a49ce29 [0,2,0,0,0,0|1,0,1]=4 6147 B13R0.66 CC/C=C/C(=O)NCCCOCCC 4de4713b45598de29b6bf7f7a386516c [0,2,0,0,0,0|1,0,1]=4 6148 B13R0.66 CC/C=C/C(=O)NCCOCCCC 8d7f03c5d355550489f663f623c4a490 [0,2,0,0,0,0|1,0,1]=4 6149 B13R0.66 CC/C=C/CCOCC(=O)CCSC c57bc6abfece68acfca754f2d2e08a93 [0,2,0,0,0,0|0,0,2]=4 6150 B13R0.66 CC/C=C/CCOCC(=O)NCCC 2db8b27f54539e550be0e7b8e138db72 [0,2,0,0,0,0|0,0,2]=4 6151 B13R0.66 CC/C=C/CCOCC(=O)OCCC 05e807d7fa637b47083c7e00f1eb459f [0,2,0,0,0,0|0,0,2]=4 6152 B13R0.66 CC/C=C/COCOC(=O)CCCC 02a168759682a628eadf3ca4b3ceef2c [0,2,0,0,0,0|0,0,2]=4 6153 B13R0.66 CC/C=C/COCOC(=O)OCCC 1dde129a7857be3f8e5ffdecfeef937f [0,2,0,0,0,0|0,0,2]=4 6154 B13R0.66 CC/C=C\C(=O)NCCCCCCC b34f35a3c040fd08ba4c0e96a953ec9f [0,2,0,0,0,0|1,0,1]=4 6155 B13R0.66 CC/C=C\C(=O)NCCCCCCCl 252100b070f8319934c04e12ba8fe2e5 [0,2,0,0,0,0|1,0,1]=4 6156 B13R0.66 CC/C=C\C(=O)NCCCCCCO 2b5c6b22e27451b757a612514579c862 [0,2,0,0,0,0|1,0,1]=4 6157 B13R0.66 CC/C=C\C(=O)NCCCCCOC 5316ee11977032401f147028c3800653 [0,2,0,0,0,0|1,0,1]=4 6158 B13R0.66 CC/C=C\C(=O)NCCCCSCC 9537367ce7f2280d96bb2ffd83cc274b [0,2,0,0,0,0|1,0,1]=4 6159 B13R0.66 CC/C=C\C(=O)NCCCOCCC d8a36bc8c2ec6dab7de0132f51743572 [0,2,0,0,0,0|1,0,1]=4 6160 B13R0.66 CC/C=C\C(=O)NCCOCCCC 2afbabcbeb05cb74fec9194582268c1d [0,2,0,0,0,0|1,0,1]=4 6161 B13R0.66 CC/C=C\CCOCC(=O)CCSC cd93ef425dea85b9d7362a6e64fb7b0e [0,2,0,0,0,0|0,0,2]=4 6162 B13R0.66 CC/C=C\CCOCC(=O)NCCC 7aa446aa1c13e92b72336c2f1f301c0b [0,2,0,0,0,0|0,0,2]=4 6163 B13R0.66 CC/C=C\CCOCC(=O)OCCC 60ccb19ee2df3bb2637c9b137906e7f3 [0,2,0,0,0,0|0,0,2]=4 6164 B13R0.66 CC/C=C\COCOC(=O)CCCC b34fdcd4cdad8610c666da0554f64477 [0,2,0,0,0,0|0,0,2]=4 6165 B13R0.66 CC/C=C\COCOC(=O)OCCC 3d979cebd744f991807819a02ecf0a1e [0,2,0,0,0,0|0,0,2]=4 6166 B13R0.66 CC=CCCCOCC(=O)CCSC 948ec2827afe2a601890086c50f82dc4 [0,2,0,0,0,0|0,0,2]=4 6167 B13R0.66 CC=CCCCOCC(=O)NCCC badf96832ab88a2d62d90d1f7a409171 [0,2,0,0,0,0|0,0,2]=4 6168 B13R0.66 CC=CCCCOCC(=O)OCCC c637b6a19bc1939569d4933906fdd00f [0,2,0,0,0,0|0,0,2]=4 6169 B13R0.66 CCC#CC(=O)NCCCCCCC 28402325bf87cdc81afa2d84950bd3e6 [0,2,0,0,0,0|1,0,1]=4 6170 B13R0.66 CCC#CC(=O)NCCCCCCCl 5ecdc6474dd6cb1d926b16c5d9d4f5aa [0,2,0,0,0,0|1,0,1]=4 6171 B13R0.66 CCC#CC(=O)NCCCCCCO 8caedb90e0b1d04bd5d3f2906894f2c1 [0,2,0,0,0,0|1,0,1]=4 6172 B13R0.66 CCC#CC(=O)NCCCCCOC 3288114d1ea0ba876198c26fc9e18252 [0,2,0,0,0,0|1,0,1]=4 6173 B13R0.66 CCC#CC(=O)NCCCCSCC 8492bf768041069bd16560b1e7b455c7 [0,2,0,0,0,0|1,0,1]=4 6174 B13R0.66 CCC#CC(=O)NCCCOCCC 04848f7edc422e58f9e7afac8a4bad55 [0,2,0,0,0,0|1,0,1]=4 6175 B13R0.66 CCC#CC(=O)NCCOCCCC a9e5c1991616f3c0bf7bff970a1df617 [0,2,0,0,0,0|1,0,1]=4 6176 B13R0.66 CCC#CCCOCC(=O)CCSC 65daef02c58af34e1e512767ba7218d3 [0,2,0,0,0,0|0,0,2]=4 6177 B13R0.66 CCC#CCCOCC(=O)NCCC 0321973fca82dac37bab74a6bdc96a55 [0,2,0,0,0,0|0,0,2]=4 6178 B13R0.66 CCC#CCCOCC(=O)OCCC e0ff73bded91af664c17b39d16052446 [0,2,0,0,0,0|0,0,2]=4 6179 B13R0.66 CCC#CCOCOC(=O)CCCC 6afc940b97571d00c6114a961717c3a9 [0,2,0,0,0,0|0,0,2]=4 6180 B13R0.66 CCC#CCOCOC(=O)OCCC 560a7533b392c39d1f1872f11ee6a74e [0,2,0,0,0,0|0,0,2]=4 6181 B13R0.66 CCC/C=C/CCCC(=O)NCCC fcc7b47c52ccec929be73b8366d385d9 [0,2,0,0,0,0|1,0,1]=4 6182 B13R0.66 CCC/C=C/COCC(=O)CCSC 88ebeac819cf75645c26ad2fe59a3d09 [0,2,0,0,0,0|0,0,2]=4 6183 B13R0.66 CCC/C=C/COCC(=O)NCCC 076c6d7f3313051f6b8de3205b7ee749 [0,2,0,0,0,0|0,0,2]=4 6184 B13R0.66 CCC/C=C/COCC(=O)OCCC e1f925b28e1e385c196a6790621973f8 [0,2,0,0,0,0|0,0,2]=4 6185 B13R0.66 CCC/C=C\COCC(=O)CCSC b6585a80c501bcf3aa1f72b345299ae0 [0,2,0,0,0,0|0,0,2]=4 6186 B13R0.66 CCC/C=C\COCC(=O)NCCC 4081990479782a724b139f2e5b76a6ee [0,2,0,0,0,0|0,0,2]=4 6187 B13R0.66 CCC/C=C\COCC(=O)OCCC 199fb6346a1dd6fa5f14c580c774e3ff [0,2,0,0,0,0|0,0,2]=4 6188 B13R0.66 CCC=CC(=O)NCCCCCCC 7f0ead522e53e8fc666b1a981aa65cd9 [0,2,0,0,0,0|1,0,1]=4 6189 B13R0.66 CCC=CC(=O)NCCCCCCCl 19e7afd6d391c8529ee1202f7bfe6aa4 [0,2,0,0,0,0|1,0,1]=4 6190 B13R0.66 CCC=CC(=O)NCCCCCCO 12090554a4621282e395a4a7937e2d53 [0,2,0,0,0,0|1,0,1]=4 6191 B13R0.66 CCC=CC(=O)NCCCCCOC befdf9747b35dbc428ca44f1c009a299 [0,2,0,0,0,0|1,0,1]=4 6192 B13R0.66 CCC=CC(=O)NCCCCSCC 4d3dfbe08a2a83cf844017f8e67f88cf [0,2,0,0,0,0|1,0,1]=4 6193 B13R0.66 CCC=CC(=O)NCCCOCCC c8eacbe61ea0f20f558520c0738f445c [0,2,0,0,0,0|1,0,1]=4 6194 B13R0.66 CCC=CC(=O)NCCOCCCC d2aafb1013b5d5d3601783ef2480f2a2 [0,2,0,0,0,0|1,0,1]=4 6195 B13R0.66 CCCC#CCOCC(=O)CCSC b900a993c0f9f5f998c44c830dd3b65e [0,2,0,0,0,0|0,0,2]=4 6196 B13R0.66 CCCC#CCOCC(=O)NCCC c7dab6775e430738b4eb7203356167d5 [0,2,0,0,0,0|0,0,2]=4 6197 B13R0.66 CCCC#CCOCC(=O)OCCC bd3c658dd4d0401754f0cf86e3db8a1b [0,2,0,0,0,0|0,0,2]=4 6198 B13R0.66 CCCCC(=O)NCCCCCC#N 1bd545e508f3683f829cd394c502321b [0,2,0,0,0,0|1,0,1]=4 6199 B13R0.66 CCCCC(=O)NCCCCCCCl 08faec295c4d9ee42d05f2ae3c2cac00 [0,2,0,0,0,0|1,0,0]=3 6200 B13R0.66 CCCCC(=O)NCCCCCCO fdf630f4ca5cd61f0e32727e5f79cc84 [0,2,0,0,0,0|1,0,0]=3 6201 B13R0.66 CCCCC(=O)NCCCCCOC 0d8ad07c1400d6a43b5ddd6d5e06ccf5 [0,2,0,0,0,0|1,0,0]=3 6202 B13R0.66 CCCCC(=O)NCCCCSCC 9cda10a1e9a8a6d90f33cbaea3322fe0 [0,2,0,0,0,0|1,0,0]=3 6203 B13R0.66 CCCCC(=O)NCCCOCCC 18d71520a637448525dbd8156b1bbc99 [0,2,0,0,0,0|1,0,0]=3 6204 B13R0.66 CCCCC(=O)NCCCOCCO 83836ccda33802f7ab55d2d86f6057bc [0,2,0,0,0,0|2,0,0]=4 6205 B13R0.66 CCCCC(=O)NCCOCCCO 0bbf4b88d67f198025bff2b8a933f342 [0,2,0,0,0,0|2,0,0]=4 6206 B13R0.66 CCCCC(=O)NCCOCCOC f4951fb5c0ac961cb5eb18c74b4316ab [0,2,0,0,0,0|2,0,0]=4 6207 B13R0.66 CCCCC(=O)OCNCCCC#N 163029a7b17dc0cc82454e313a2f550e [0,2,0,0,0,0|1,0,1]=4 6208 B13R0.66 CCCCC(=O)OCNCCCCCl 3f01d7b6d839f4b52b5d2a2e2171e810 [0,2,0,0,0,0|1,0,0]=3 6209 B13R0.66 CCCCC(=O)OCNCCCCO 1f033e31f041101f32e3d82a82e322ad [0,2,0,0,0,0|1,0,0]=3 6210 B13R0.66 CCCCC(=O)OCNCCCCS 67b23a0daad2b89ac77bd77b706af316 [0,2,0,0,0,0|1,0,0]=3 6211 B13R0.66 CCCCC(=O)OCNCCCOC 5925fd9d319c24d2c3e256a172f8e28a [0,2,0,0,0,0|1,0,0]=3 6212 B13R0.66 CCCCC(=O)OCNCCCSC 4a267b0393307f7815432f3153afe75a [0,2,0,0,0,0|1,0,0]=3 6213 B13R0.66 CCCCC(=O)OCNCCOCC 4f335f6ec138a6115f5c277f953158de [0,2,0,0,0,0|1,0,0]=3 6214 B13R0.66 CCCCC(=O)OCNCCSCC 5d1a50e6041894b44e5e07f6da173c2e [0,2,0,0,0,0|1,0,0]=3 6215 B13R0.66 CCCCC(=O)OCOCCCC#N 9ad0bcf6064c1891700617ad28194330 [0,2,0,0,0,0|1,0,1]=4 6216 B13R0.66 CCCCC(=O)OCOCCCC=O 57a855da40c021ecd827bb7f6a6fb2c5 [0,2,0,0,0,0|1,0,1]=4 6217 B13R0.66 CCCCC(=O)OCOCCCCF cd3f2f6a6743661c183160a516a5b77d [0,2,0,0,0,0|1,0,0]=3 6218 B13R0.66 CCCCC(=O)OCOCCCCS 9ffa59747bb9e9bebf9398b58784f952 [0,2,0,0,0,0|1,0,0]=3 6219 B13R0.66 CCCCC(=O)OCOCCCOC a3eced9a17a8670a508cc922acabe651 [0,2,0,0,0,0|1,0,0]=3 6220 B13R0.66 CCCCC(=O)OCOCCCSC 060bddfbbbc0eab91fcb7fc299cfef19 [0,2,0,0,0,0|1,0,0]=3 6221 B13R0.66 CCCCC(=O)OCOCCOCC da1c30fb13ba845433dd9dc762496586 [0,2,0,0,0,0|1,0,0]=3 6222 B13R0.66 CCCCC(=O)OCOCCSCC 1aa269d37591f683c7b9aef09b38f848 [0,2,0,0,0,0|1,0,0]=3 6223 B13R0.66 CCCCC(C)OCCCCCCF 7e856d183e81b655ea07681b628f532f [0,2,0,0,0,0|1,0,1]=4 6224 B13R0.66 CCCCC(C)OCCCCCCS 9c0bd3b2d0e1cbbed205fe2335f6f436 [0,2,0,0,0,0|1,0,1]=4 6225 B13R0.66 CCCCC(C)OCCCCCOC 37fbb5a8cbc772e45a0ca0238ab7a915 [0,2,0,0,0,0|1,0,1]=4 6226 B13R0.66 CCCCC(C)OCCCOCCC f73761458e5d56c441ea53a0e6626d22 [0,2,0,0,0,0|1,0,1]=4 6227 B13R0.66 CCCCC/C=C/CC(=O)NCCC f466d15e387ff0fa943224c8b198ff94 [0,2,0,0,0,0|1,0,1]=4 6228 B13R0.66 CCCCC=CCCC(=O)NCCC 17189383014a681fc1fcfd3e6dd39d9f [0,2,0,0,0,0|1,0,1]=4 6229 B13R0.66 CCCCCC/C=C/C(=O)NCCBr a5b5959c0679ae677db7b14fc787a46a [0,2,0,0,0,0|2,0,0]=4 6230 B13R0.66 CCCCCC/C=C/C(=O)NCCC a2fdcacb8b7a296109a2576e2dd77a90 [0,2,0,0,0,0|1,0,0]=3 6231 B13R0.66 CCCCCC/C=C/C(=O)NCCF e680f89061df424c398380164adb1ea8 [0,2,0,0,0,0|2,0,0]=4 6232 B13R0.66 CCCCCC/C=C/C(=O)NCCI 403bba85c63f426f93f4569d9f72edd6 [0,2,0,0,0,0|2,0,0]=4 6233 B13R0.66 CCCCCC/C=C/C(=O)NCCO 3fb84367aa88639d70cadd09a37c500d [0,2,0,0,0,0|2,0,0]=4 6234 B13R0.66 CCCCCC/C=C/C(=O)NCCS 76757fd31572441adad046cb6c7cdce1 [0,2,0,0,0,0|2,0,0]=4 6235 B13R0.66 CCCCCCCCC(=O)NCCBr 6b9608e992e8628473e5a8368c9011b9 [0,2,0,0,0,0|2,0,0]=4 6236 B13R0.66 CCCCCCCCC(=O)NCCC 39adb8d7e06aff2d67a89c1e94e08cd7 [0,2,0,0,0,0|1,0,0]=3 6237 B13R0.66 CCCCCCCCC(=O)NCCF c85f44f9836706d925460485749b548c [0,2,0,0,0,0|2,0,0]=4 6238 B13R0.66 CCCCCCCCC(=O)NCCI 845f0a16ed8009800d3f6051be9e6bee [0,2,0,0,0,0|2,0,0]=4 6239 B13R0.66 CCCCCCCCC(=O)NCCO e68ec99bd1b154476e5512267ddb63e0 [0,2,0,0,0,0|2,0,0]=4 6240 B13R0.66 CCCCCCCCC(=O)NCCS 0e1b253813698b211e5de3c78da025ce [0,2,0,0,0,0|2,0,0]=4 6241 B13R0.66 CCCCCCCNC(=O)CCC#N ee35f94dc210e04e8b08ffda47d17ec3 [0,2,0,0,0,0|1,0,1]=4 6242 B13R0.66 CCCCCCCNC(=O)CCC=O d543c5e1dfeb282553df92766b7374bb [0,2,0,0,0,0|1,0,1]=4 6243 B13R0.66 CCCCCCCNC(=O)CCCC 684c2a616aaeb29d62d8f48ad97e712f [0,2,0,0,0,0|1,0,0]=3 6244 B13R0.66 CCCCCCCNC(=O)CCCF 8921d702740a7e75fb537eb21be11a2a [0,2,0,0,0,0|1,0,0]=3 6245 B13R0.66 CCCCCCCNC(=O)CCCS f58270f0dca8d830e9a5c5646dbaccc7 [0,2,0,0,0,0|1,0,0]=3 6246 B13R0.66 CCCCCCCNC(=O)CCOC c76f5c2a576579292be0310300d981af [0,2,0,0,0,0|1,0,0]=3 6247 B13R0.66 CCCCCCCNC(=O)CCSC 09e1acc504ebb2f19a09e1e93e97d9a2 [0,2,0,0,0,0|1,0,0]=3 6248 B13R0.66 CCCCCCCNC(=O)COCC b2c19913a22fba1d80ae34ddb4e805f5 [0,2,0,0,0,0|1,0,0]=3 6249 B13R0.66 CCCCCCCNC(=O)CSCC 8a7b97c4bb0ccdaf7abfa5d2c528e417 [0,2,0,0,0,0|1,0,0]=3 6250 B13R0.66 CCCCCCCNC(=O)CSSC 27ab2597cfb5d3821285e1447b1db9aa [0,2,0,0,0,0|2,0,0]=4 6251 B13R0.66 CCCCCCCNC(=O)NCCC 43fe82a7bd3168bc33fa2cb1887e09af [0,2,0,0,0,0|1,0,0]=3 6252 B13R0.66 CCCCCCCNC(=O)NCCF 07affc6eab840ccf5bf95827eab5d055 [0,2,0,0,0,0|2,0,0]=4 6253 B13R0.66 CCCCCCCNC(=O)NCCN 6b9855aebe2986e4754f7a710d00280b [0,2,0,0,0,0|2,0,0]=4 6254 B13R0.66 CCCCCCCNC(=O)NCCO ffdfb96c6074f6be9453eabc417ac247 [0,2,0,0,0,0|2,0,0]=4 6255 B13R0.66 CCCCCCCNC(=O)NCCS 4951afbe9c5c53bb5ae31161bce0c03f [0,2,0,0,0,0|2,0,0]=4 6256 B13R0.66 CCCCCCCNC(=S)NCCC c843941dcad24962e698b1ec70f5d753 [0,2,0,0,0,0|1,1,0]=4 6257 B13R0.66 CCCCCCCOC(C)CCCC edde2acb44db9022aacbad5c5f1f185a [0,2,0,0,0,0|1,0,1]=4 6258 B13R0.66 CCCCCCCOC(C)CCOC ba3c4a6296e380986bfec78ed63db297 [0,2,0,0,0,0|1,0,1]=4 6259 B13R0.66 CCCCCCCOC(C)COCC 0c92e50e52723abc0c014b51f0d5ef17 [0,2,0,0,0,0|1,0,1]=4 6260 B13R0.66 CCCCCCCO[C@@H](C)CCCC 385dd640e019ec822992040d84b9bbe7 [0,2,0,0,0,0|1,0,1]=4 6261 B13R0.66 CCCCCCCO[C@H](C)CCCC a0d296980243169872aa8b8e45bc9ac1 [0,2,0,0,0,0|1,0,1]=4 6262 B13R0.66 CCCCCCNCC(=O)CCSC 503f1142fceb211e52837a7bbb973bc9 [0,2,0,0,0,0|1,0,0]=3 6263 B13R0.66 CCCCCCNCC(=O)NCCC af27720f5212ee7df13404c65a90dd6a [0,2,0,0,0,0|1,0,0]=3 6264 B13R0.66 CCCCCCNCC(=O)NCCO 2cf8a044d51690422185c7b624e790d1 [0,2,0,0,0,0|2,0,0]=4 6265 B13R0.66 CCCCCCNCC(=O)OCCC c0090dd4195476203dacc60184ad7591 [0,2,0,0,0,0|1,0,0]=3 6266 B13R0.66 CCCCCCOCC(=O)CCSC 090eace8f41effd70d4270a8fcd07f74 [0,2,0,0,0,0|0,0,0]=2 6267 B13R0.66 CCCCCCOCC(=O)NCC#N d02bfed01f68a910300a88f116a421cf [0,2,0,0,0,0|1,0,1]=4 6268 B13R0.66 CCCCCCOCC(=O)NCCC 26b263992edbfa53df49a4b91b94e9ec [0,2,0,0,0,0|0,0,0]=2 6269 B13R0.66 CCCCCCOCC(=O)OCCC d005979674755503a456ea7894191e9e [0,2,0,0,0,0|0,0,0]=2 6270 B13R0.66 CCCCCCOCC(C)CCCC 0c2b1e6216d5ccf6c523a322f3a44184 [0,2,0,0,0,0|1,0,1]=4 6271 B13R0.66 CCCCCNCOC(=O)CCCC d956c20abea1be619b02522e8f602b09 [0,2,0,0,0,0|0,0,0]=2 6272 B13R0.66 CCCCCNCOC(=O)OCCC 4dd0cdfa02480877d468e904e316e0a7 [0,2,0,0,0,0|0,0,0]=2 6273 B13R0.66 CCCCCOCCC(=O)OCCC a91e7cdc87998b13256ef3a984b018cc [0,2,0,0,0,0|1,0,0]=3 6274 B13R0.66 CCCCCOCOC(=O)CCCC 3f76bdaee6f01cc5d754e6c5cf40c35d [0,2,0,0,0,0|0,0,0]=2 6275 B13R0.66 CCCCCOCOC(=O)OCCC 2b9c07fc63ba8f501ff6f882c30d4e2e [0,2,0,0,0,0|0,0,0]=2 6276 B13R0.66 CCCCNCCCC(=O)NCCC 8296990dafe81307bcb0553216dacb9c [0,2,0,0,0,0|1,0,0]=3 6277 B13R0.66 CCCCOCCCC(=O)NCCC 84a74d21f4e35fe1d0c50e36e80162ee [0,2,0,0,0,0|1,0,0]=3 6278 B13R0.66 CCCCOCCNC(=O)CCC#N 4d10001372a5ef5ea4c72a2991d5db86 [0,2,0,0,0,0|1,0,1]=4 6279 B13R0.66 CCCCOCCNC(=O)CCC=O 27a23f5a6c960d33343763f74a133b43 [0,2,0,0,0,0|1,0,1]=4 6280 B13R0.66 CCCCOCCNC(=O)CCCC af15decb52f44fe761806f4f3842c76a [0,2,0,0,0,0|1,0,0]=3 6281 B13R0.66 CCCCOCCNC(=O)CCCF 70edfdf7e34e6549f0655daf2a589672 [0,2,0,0,0,0|1,0,0]=3 6282 B13R0.66 CCCCOCCNC(=O)CCCS d777f51c1ca9021f6159c64e241149cd [0,2,0,0,0,0|1,0,0]=3 6283 B13R0.66 CCCCOCCNC(=O)CCOC a3b5ca3c2836c9bfd0d4115f3c27ff76 [0,2,0,0,0,0|1,0,0]=3 6284 B13R0.66 CCCCOCCNC(=O)CCSC c8583aae5ce8c2fdbe212928ae69efc4 [0,2,0,0,0,0|1,0,0]=3 6285 B13R0.66 CCCCOCCNC(=O)COCC 6b1b5519afb49ff5d113ad59c48ae851 [0,2,0,0,0,0|1,0,0]=3 6286 B13R0.66 CCCCOCCNC(=O)CSCC e1b056049dd4f822020f24616aa94620 [0,2,0,0,0,0|1,0,0]=3 6287 B13R0.66 CCCCOCCNC(=O)CSSC 758a15755ea4c99d280759bfbb3e7f03 [0,2,0,0,0,0|2,0,0]=4 6288 B13R0.66 CCCCOCCNC(=O)NCCC 5eba854412d63cca08a7cc392233b9b4 [0,2,0,0,0,0|1,0,0]=3 6289 B13R0.66 CCCCOCCNC(=O)NCCF f2b7f25f41a676b28243ad5d9979ef33 [0,2,0,0,0,0|2,0,0]=4 6290 B13R0.66 CCCCOCCNC(=O)NCCN ed42187cc59aca818c1a54b2bccfd1a1 [0,2,0,0,0,0|2,0,0]=4 6291 B13R0.66 CCCCOCCNC(=O)NCCO 252ddf4a73599e8b9041595731cdf27c [0,2,0,0,0,0|2,0,0]=4 6292 B13R0.66 CCCCOCCNC(=O)NCCS 6e7f5514673dd752e901b77af1fe83b4 [0,2,0,0,0,0|2,0,0]=4 6293 B13R0.66 CCCCOCCNC(=S)NCCC d8a409bdbc1af54cb8edde55161e910f [0,2,0,0,0,0|1,1,0]=4 6294 B13R0.66 CCCCOCCOC(C)CCCC a37ca72a79658046d8bee6c5b68bbb3d [0,2,0,0,0,0|1,0,1]=4 6295 B13R0.66 CCCCOCCOC(C)CCOC 6bff203e31b89db9968b030cd8069078 [0,2,0,0,0,0|1,0,1]=4 6296 B13R0.66 CCCCOCCOC(C)CCSC 094660f3105a26ab0c4aecb444897ae6 [0,2,0,0,0,0|1,0,1]=4 6297 B13R0.66 CCCCOCCOC(C)COCC 30f15663a22e2e33793847adc2755c15 [0,2,0,0,0,0|1,0,1]=4 6298 B13R0.66 CCCCOCCO[C@@H](C)CCCC ccc6a332c9b3ae2e6444813dcd56522c [0,2,0,0,0,0|1,0,1]=4 6299 B13R0.66 CCCCOCCO[C@H](C)CCCC 65a6c5645f5933810cfc2371b2985395 [0,2,0,0,0,0|1,0,1]=4 6300 B13R0.66 CCCCOCNCC(=O)NCCC 24722a38ae09a7fe27a004e03cb5ba98 [0,2,0,0,0,0|2,0,0]=4 6301 B13R0.66 CCCCSCCOC(C)CCCC 36dac8f9dead6b30bfc31a44a6c903d9 [0,2,0,0,0,0|1,0,1]=4 6302 B13R0.66 CCCC[C@@H](C)OCCCCCCF 009099fe83599b3115997aa35b9ffff5 [0,2,0,0,0,0|1,0,1]=4 6303 B13R0.66 CCCC[C@@H](C)OCCCCCOC ea46e8f19961bdb7151a069bf4efd4d8 [0,2,0,0,0,0|1,0,1]=4 6304 B13R0.66 CCCC[C@@H](C)OCCCOCCC 64db4f17c8e0db1f926eaf05910aa79c [0,2,0,0,0,0|1,0,1]=4 6305 B13R0.66 CCCC[C@H](C)OCCCCCCF 72cc76edb752adccf0ed97ea5d5a060c [0,2,0,0,0,0|1,0,1]=4 6306 B13R0.66 CCCC[C@H](C)OCCCCCOC ac9870603055b588b2eedf67e3f79041 [0,2,0,0,0,0|1,0,1]=4 6307 B13R0.66 CCCC[C@H](C)OCCCOCCC 2f035d286c3f974e97084d8f5a18c1cd [0,2,0,0,0,0|1,0,1]=4 6308 B13R0.66 CCCNC(=O)CCCCCCC=O cf005b99368a33a6a17ea3f826f4876f [0,2,0,0,0,0|1,0,1]=4 6309 B13R0.66 CCCNC(=O)CCCCCCCF b24f7d5997e701ecfcca4d22b04ba8ce [0,2,0,0,0,0|1,0,0]=3 6310 B13R0.66 CCCNC(=O)CCCCCCCO a8efc04da740e05e047ea7c1882a8254 [0,2,0,0,0,0|1,0,0]=3 6311 B13R0.66 CCCNC(=O)CCCCCCCS bd0ec80424e59cae45164b6c6ee3ae34 [0,2,0,0,0,0|1,0,0]=3 6312 B13R0.66 CCCNC(=O)CCCCCCSC 3731c720c95305ab76a7a30e252b2a83 [0,2,0,0,0,0|1,0,0]=3 6313 B13R0.66 CCCNC(=O)CCCCOCCO 98cab87603eea2f477e8fa649feeaf97 [0,2,0,0,0,0|2,0,0]=4 6314 B13R0.66 CCCNC(=O)CCCNCCCCl 8bcfe56fc457c5e301977572dee09e30 [0,2,0,0,0,0|2,0,0]=4 6315 B13R0.66 CCCNC(=O)CCCNCCCO 560d06ac644997663b519a7571d60cf2 [0,2,0,0,0,0|2,0,0]=4 6316 B13R0.66 CCCNC(=O)CCCNCCOC 56809d7a8eb0bbba326ad42963edaba2 [0,2,0,0,0,0|2,0,0]=4 6317 B13R0.66 CCCNC(=O)CCCNCCSC d56a63eea7e2a07429bce48950933982 [0,2,0,0,0,0|2,0,0]=4 6318 B13R0.66 CCCNC(=O)CCCOCCCF 3a36b34ab6c328bec837af5c6232294b [0,2,0,0,0,0|2,0,0]=4 6319 B13R0.66 CCCNC(=O)CCCOCCCS f76e83ef571e5b577c053cdc4458dd8d [0,2,0,0,0,0|2,0,0]=4 6320 B13R0.66 CCCNC(=O)CCCOCCOC 25583026139740507dd3d8901173299c [0,2,0,0,0,0|2,0,0]=4 6321 B13R0.66 CCCNC(=O)CCCOCCSC f87dcf8bb8969e8a25ad1492b08b88ed [0,2,0,0,0,0|2,0,0]=4 6322 B13R0.66 CCCNC(=O)CCOCCOCC eda523ba304fa440bf95df84db722483 [0,2,0,0,0,0|2,0,0]=4 6323 B13R0.66 CCCNC(=O)CNCCCCCCl f1df05cc1c354dddf494d04817823a3f [0,2,0,0,0,0|2,0,0]=4 6324 B13R0.66 CCCNC(=O)CNCCCCCF 2d10054274d3a4aa9aa37ac630d062f5 [0,2,0,0,0,0|2,0,0]=4 6325 B13R0.66 CCCNC(=O)CNCCCCCO 9ff36b0ed93837027c162a7d993df410 [0,2,0,0,0,0|2,0,0]=4 6326 B13R0.66 CCCNC(=O)CNCCCCOC 6fdc43e8a458a0139a12420b32760fe8 [0,2,0,0,0,0|2,0,0]=4 6327 B13R0.66 CCCNC(=O)CNCCCCSC a4db9d91bd607b81a188755c7e807fa0 [0,2,0,0,0,0|2,0,0]=4 6328 B13R0.66 CCCNC(=O)CNCCCOCC 50ce7ef54e748c8f5d4c85064a651101 [0,2,0,0,0,0|2,0,0]=4 6329 B13R0.66 CCCNC(=O)CNCCCSCC 9c8d6d7954c71d1542272f4088c3645a [0,2,0,0,0,0|2,0,0]=4 6330 B13R0.66 CCCNC(=O)CNCCOCCC e7d0fa1e7750bfc5c43fd52b64f3bdb0 [0,2,0,0,0,0|2,0,0]=4 6331 B13R0.66 CCCNC(=O)COCCCCC#N f288e19551c7a32e263cb70044c0ac42 [0,2,0,0,0,0|1,0,1]=4 6332 B13R0.66 CCCNC(=O)COCCCCC=O de0852152619a18245299c2baeb3a276 [0,2,0,0,0,0|1,0,1]=4 6333 B13R0.66 CCCNC(=O)COCCCCOC a073b09416443c179ec4e7a49f6ccf31 [0,2,0,0,0,0|1,0,0]=3 6334 B13R0.66 CCCNC(=O)COCCCCSC cd93dc09192402c2cd62ca5a0eefed2c [0,2,0,0,0,0|1,0,0]=3 6335 B13R0.66 CCCNC(=O)COCCCOCC 41f2195c6307c6cd3a62fbbdd5471ceb [0,2,0,0,0,0|1,0,0]=3 6336 B13R0.66 CCCNC(=O)COCCCSCC 0a00924e7ec3692bcd68affb1691e511 [0,2,0,0,0,0|1,0,0]=3 6337 B13R0.66 CCCNC(=O)COCCOCCC 2ebfcbb6600ca6271369d0e45facc650 [0,2,0,0,0,0|1,0,0]=3 6338 B13R0.66 CCCNC(=O)COCCOCCF b01882392361d727666e88626d55570f [0,2,0,0,0,0|2,0,0]=4 6339 B13R0.66 CCCNC(=O)COCCOCCO 4d19800f52005427a354ad74a5a6f016 [0,2,0,0,0,0|2,0,0]=4 6340 B13R0.66 CCCNC(=O)COCCOCCS 3e0ab498686cd93c6f616c883b13db42 [0,2,0,0,0,0|2,0,0]=4 6341 B13R0.66 CCCNC(=O)COCCSCCC fac428660d7eae358c36177da8860e63 [0,2,0,0,0,0|1,0,0]=3 6342 B13R0.66 CCCNC(=O)NCCCCCC#N 3c505f0f4ae3594e8060a5feb472f623 [0,2,0,0,0,0|1,0,1]=4 6343 B13R0.66 CCCNC(=O)NCCCCCCN 10b3dc5b37859df5745049219b9bd5ff [0,2,0,0,0,0|1,0,0]=3 6344 B13R0.66 CCCNC(=O)NCCCCCCO eadb20ee9f720e861cc690f3f05535d0 [0,2,0,0,0,0|1,0,0]=3 6345 B13R0.66 CCCNC(=O)NCCCCCOC 96e93f6a65812c80f43a1bd1ea12a4b5 [0,2,0,0,0,0|1,0,0]=3 6346 B13R0.66 CCCNC(=O)NCCCCSCC 8fcefd27e9bb24ec412179a909989044 [0,2,0,0,0,0|1,0,0]=3 6347 B13R0.66 CCCNC(=O)NCCCOCCC 760ba6167b68af1df248b0e423c42ac4 [0,2,0,0,0,0|1,0,0]=3 6348 B13R0.66 CCCNC(=O)NCCCOCCO 10d075aac77c55efb1ac82f8e874ae91 [0,2,0,0,0,0|2,0,0]=4 6349 B13R0.66 CCCNC(=O)NCCOCCCO c158bfcf4585d8c74fc8be0e45096166 [0,2,0,0,0,0|2,0,0]=4 6350 B13R0.66 CCCNC(=O)NCCOCCOC c3af31d65c9f2cb1d431d86eb64a5d8d [0,2,0,0,0,0|2,0,0]=4 6351 B13R0.66 CCCNC(=S)NCCCCCCN 8f0f3d531f7aa14e43f5c64d4b8fd026 [0,2,0,0,0,0|1,1,0]=4 6352 B13R0.66 CCCNC(=S)NCCCCCCO 2b819b0517f73b522fae35fde7141132 [0,2,0,0,0,0|1,1,0]=4 6353 B13R0.66 CCCNC(=S)NCCCCCOC 15f2170997204b61f68b8bfb0bfaab17 [0,2,0,0,0,0|1,1,0]=4 6354 B13R0.66 CCCNC(=S)NCCCCSCC b515c21b12fb7c06ecbefbc01cd6d227 [0,2,0,0,0,0|1,1,0]=4 6355 B13R0.66 CCCNC(=S)NCCCOCCC f5709eeffd1f7e131419f9b269ec9c0b [0,2,0,0,0,0|1,1,0]=4 6356 B13R0.66 CCCOC(=O)CCOCCCCF 88136b990b0757dbc8e0264fe6fe9d63 [0,2,0,0,0,0|2,0,0]=4 6357 B13R0.66 CCCOC(=O)CCOCCCOC 84eb590b18853f3a405c06ab786dedf5 [0,2,0,0,0,0|2,0,0]=4 6358 B13R0.66 CCCOC(=O)CCOCCCSC 1268183aa3d7287af71d1c26a98d283d [0,2,0,0,0,0|2,0,0]=4 6359 B13R0.66 CCCOC(=O)CCOCCOCC 034d43d245f6fbe79f1c904b0278e543 [0,2,0,0,0,0|2,0,0]=4 6360 B13R0.66 CCCOC(=O)CCOCCSCC 5f2c3f6eff31bcec0daaa922076ed526 [0,2,0,0,0,0|2,0,0]=4 6361 B13R0.66 CCCOC(=O)CNCCCCCCl 3b0d646cc3cebeb0f7683cfc0f99412d [0,2,0,0,0,0|2,0,0]=4 6362 B13R0.66 CCCOC(=O)CNCCCCCO 20711b85e2c6c17931e564ab86beaddc [0,2,0,0,0,0|2,0,0]=4 6363 B13R0.66 CCCOC(=O)CNCCCCOC 3bea7d9f703b48a35619b6425d88d7ca [0,2,0,0,0,0|2,0,0]=4 6364 B13R0.66 CCCOC(=O)CNCCCCSC d6084142270d2ba14a00c945fd2f38da [0,2,0,0,0,0|2,0,0]=4 6365 B13R0.66 CCCOC(=O)CNCCCOCC 1d5f9a80324e10fe067b6128d0e248ae [0,2,0,0,0,0|2,0,0]=4 6366 B13R0.66 CCCOC(=O)COCCCCC#N 2772042f83dc82b7740222fd8204e3df [0,2,0,0,0,0|1,0,1]=4 6367 B13R0.66 CCCOC(=O)COCCCCC=O b010f3bf49d878f23311273726866dce [0,2,0,0,0,0|1,0,1]=4 6368 B13R0.66 CCCOC(=O)COCCCCOC 036e1541658229fec68d15d18233a9a5 [0,2,0,0,0,0|1,0,0]=3 6369 B13R0.66 CCCOC(=O)COCCCCSC 33a82bd3f74218fca561dbef146a997d [0,2,0,0,0,0|1,0,0]=3 6370 B13R0.66 CCCOC(=O)COCCCOCC d0b0560035f27e3c01dd496291fb2b25 [0,2,0,0,0,0|1,0,0]=3 6371 B13R0.66 CCCOC(=O)COCCCSCC 954da4a6f104f3a7e52a22b2f6484837 [0,2,0,0,0,0|1,0,0]=3 6372 B13R0.66 CCCOC(=O)COCCOCCF 62ed6f18b067be60de9c51c932d2edd0 [0,2,0,0,0,0|2,0,0]=4 6373 B13R0.66 CCCOC(=O)COCCOCCS 911f75257d7679213b28feaf02e009de [0,2,0,0,0,0|2,0,0]=4 6374 B13R0.66 CCCOC(=O)COCCSCCC 01b24229302f2b6fb3767b943378e591 [0,2,0,0,0,0|1,0,0]=3 6375 B13R0.66 CCCOC(=O)OCNCCCC#N b64cede83c8d712c42a6febba0d48cd0 [0,2,0,0,0,0|1,0,1]=4 6376 B13R0.66 CCCOC(=O)OCNCCCCCl f9a319e35d4e5aa2142535c54f0ccac0 [0,2,0,0,0,0|1,0,0]=3 6377 B13R0.66 CCCOC(=O)OCNCCCCO 8c8d84fca0480d0c6b9b94059668ecc4 [0,2,0,0,0,0|1,0,0]=3 6378 B13R0.66 CCCOC(=O)OCNCCCCS a5afacf2a3b3a975c1d3f23c4a084c41 [0,2,0,0,0,0|1,0,0]=3 6379 B13R0.66 CCCOC(=O)OCNCCCOC 12199b19e112138fd927ba27cd5783d5 [0,2,0,0,0,0|1,0,0]=3 6380 B13R0.66 CCCOC(=O)OCNCCCSC dbdb20c34831c78a48cd142ad87d08c8 [0,2,0,0,0,0|1,0,0]=3 6381 B13R0.66 CCCOC(=O)OCNCCOCC 75c0c7f74718e9527e14df81e859b0f0 [0,2,0,0,0,0|1,0,0]=3 6382 B13R0.66 CCCOC(=O)OCNCCSCC 94d5365aa33f2c34310e437265a6aabe [0,2,0,0,0,0|1,0,0]=3 6383 B13R0.66 CCCOC(=O)OCOCCCC#N 4a1f4b9bbade3949dd8a89e455d7f080 [0,2,0,0,0,0|1,0,1]=4 6384 B13R0.66 CCCOC(=O)OCOCCCC=O ada50e0931850d0c9b6d1ac2ce5f0eec [0,2,0,0,0,0|1,0,1]=4 6385 B13R0.66 CCCOC(=O)OCOCCCCF 7c77cf923c369e29704d13fb1f0e9b04 [0,2,0,0,0,0|1,0,0]=3 6386 B13R0.66 CCCOC(=O)OCOCCCCS 2928e2bb012cef548218b72ddf6d87cb [0,2,0,0,0,0|1,0,0]=3 6387 B13R0.66 CCCOC(=O)OCOCCCOC 1f6c1c02d1daa217b654b7c21ef38c67 [0,2,0,0,0,0|1,0,0]=3 6388 B13R0.66 CCCOC(=O)OCOCCCSC f5fe511f33e748c7d25d99cb54547ff9 [0,2,0,0,0,0|1,0,0]=3 6389 B13R0.66 CCCOC(=O)OCOCCOCC 4225d1e022f078e0f7cb63ba0b928397 [0,2,0,0,0,0|1,0,0]=3 6390 B13R0.66 CCCOC(=O)OCOCCSCC 7bd70455514ffc71955c621e216e3ce7 [0,2,0,0,0,0|1,0,0]=3 6391 B13R0.66 CCCOCCCNC(=O)CCC#N c85e6a3cd4b735e99eaeb4d63929cde3 [0,2,0,0,0,0|1,0,1]=4 6392 B13R0.66 CCCOCCCNC(=O)CCC=O f967b1463fa9e0b135364146124b159c [0,2,0,0,0,0|1,0,1]=4 6393 B13R0.66 CCCOCCCNC(=O)CCCF 91ca3411727b18c0e454da882d46b5b2 [0,2,0,0,0,0|1,0,0]=3 6394 B13R0.66 CCCOCCCNC(=O)CCCS 5b698aaba453e2f9c8778fd27b6932e6 [0,2,0,0,0,0|1,0,0]=3 6395 B13R0.66 CCCOCCCNC(=O)CCOC 97c58555f966d32442261c0b1ef2cd7f [0,2,0,0,0,0|1,0,0]=3 6396 B13R0.66 CCCOCCCNC(=O)CCSC ace0f10bafbd8b3e18c5082d6b9bae19 [0,2,0,0,0,0|1,0,0]=3 6397 B13R0.66 CCCOCCCNC(=O)COCC ac9c73d6c364ea48c4d9906b6086db79 [0,2,0,0,0,0|1,0,0]=3 6398 B13R0.66 CCCOCCCNC(=O)CSCC c1843cfa759cae6d5667bb06b2114c0f [0,2,0,0,0,0|1,0,0]=3 6399 B13R0.66 CCCOCCCNC(=O)CSSC dfa1f485d2839bd16594815854f8c291 [0,2,0,0,0,0|2,0,0]=4 6400 B13R0.66 CCCOCCCNC(=O)NCCF 7ea90153e80757a5106b7d649fd2c0fa [0,2,0,0,0,0|2,0,0]=4 6401 B13R0.66 CCCOCCCNC(=O)NCCN b3d59316d5e16038f1f6ec281e8f9dd5 [0,2,0,0,0,0|2,0,0]=4 6402 B13R0.66 CCCOCCCNC(=O)NCCO 9be7172f7dd2eaec3abcc0388116c315 [0,2,0,0,0,0|2,0,0]=4 6403 B13R0.66 CCCOCCCNC(=O)NCCS 5d5a4fb98dd222dbc177ca1d5a721e84 [0,2,0,0,0,0|2,0,0]=4 6404 B13R0.66 CCCOCCCOC(C)CCOC 96237c1ce9f2cb9b37d1e831fc947278 [0,2,0,0,0,0|1,0,1]=4 6405 B13R0.66 CCCOCCCOC(C)CCSC 7134766b78ff590eb2283f3a8da0dfe5 [0,2,0,0,0,0|1,0,1]=4 6406 B13R0.66 CCCOCCCOC(C)COCC b814c7d488d8b06eb7fe56080dd45f48 [0,2,0,0,0,0|1,0,1]=4 6407 B13R0.66 CCCOCCNCC(=O)CCSC 4bb1452672627cec3c131e5847f86339 [0,2,0,0,0,0|2,0,0]=4 6408 B13R0.66 CCCOCCNCC(=O)OCCC 32584242bc8a9e14c6bb54870694b898 [0,2,0,0,0,0|2,0,0]=4 6409 B13R0.66 CCCOCCOCC(=O)CCSC b582a954908b556f0d98a0e8d7c1d287 [0,2,0,0,0,0|1,0,0]=3 6410 B13R0.66 CCCOCCOCC(=O)OCCC 7ba8198de6093b9c50828d348eca7544 [0,2,0,0,0,0|1,0,0]=3 6411 B13R0.66 CCCSCCOCC(=O)CCSC 12283a1af3a1cffe9d14cdc6cc99d1c7 [0,2,0,0,0,0|1,0,0]=3 6412 B13R0.66 CCOCC(=O)NCCCCCC#N 2e5a15ee885cad0ea4f8a6d9d4a0955c [0,2,0,0,0,0|1,0,1]=4 6413 B13R0.66 CCOCC(=O)NCCCCCCCl 5829ece6bbd5b5b5067cda4f2ac1367f [0,2,0,0,0,0|1,0,0]=3 6414 B13R0.66 CCOCC(=O)NCCCCCCO 4b55327a74c4eb0ad91ce3d3e8216ad3 [0,2,0,0,0,0|1,0,0]=3 6415 B13R0.66 CCOCC(=O)NCCCCCOC bc0c81abc5f06e78b8ec8107ff5b57a2 [0,2,0,0,0,0|1,0,0]=3 6416 B13R0.66 CCOCC(=O)NCCCCSCC 85442749baf984528d1d9ff3b35860e0 [0,2,0,0,0,0|1,0,0]=3 6417 B13R0.66 CCOCC(=O)NCCCOCCO 52dde009315b6566becd870f30c0d717 [0,2,0,0,0,0|2,0,0]=4 6418 B13R0.66 CCOCC(=O)NCCOCCCO 66e6703782a5f1094d10cab69b25fe77 [0,2,0,0,0,0|2,0,0]=4 6419 B13R0.66 CCOCC(=O)NCCOCCOC 1401cf342e6998a7bb197291add58410 [0,2,0,0,0,0|2,0,0]=4 6420 B13R0.66 CCOCC(C)OCCCCCCF 0a9a542efa0e359854004e2839983053 [0,2,0,0,0,0|1,0,1]=4 6421 B13R0.66 CCOCC(C)OCCCCCOC db5899d477f39fa2fcc0dd1576a48195 [0,2,0,0,0,0|1,0,1]=4 6422 B13R0.66 CCOCCCNCC(=O)CCSC e22d6fb9ade8e19920212793310b95fb [0,2,0,0,0,0|2,0,0]=4 6423 B13R0.66 CCOCCCOCC(=O)CCSC 3fdc8e8851226009e62113ac821f4522 [0,2,0,0,0,0|1,0,0]=3 6424 B13R0.66 CCSCC(=O)NCCCCCC#N 9b4eb0b6351537fbb9c38c7738f5b54e [0,2,0,0,0,0|1,0,1]=4 6425 B13R0.66 CCSCC(=O)NCCCCCCCl f55dbe3c9e0837b8c096f55c256ee453 [0,2,0,0,0,0|1,0,0]=3 6426 B13R0.66 CCSCC(=O)NCCCCCCO 77281ab273c9083127a62d2c684b7bd3 [0,2,0,0,0,0|1,0,0]=3 6427 B13R0.66 CCSCC(=O)NCCCCCOC d7f6f2b672d7e45d22278d88dad149af [0,2,0,0,0,0|1,0,0]=3 6428 B13R0.66 CCSCC(=O)NCCCOCCO fc82497bfa344dd90dac026c029901cb [0,2,0,0,0,0|2,0,0]=4 6429 B13R0.66 CCSCC(=O)NCCOCCCO d3de51d0afe90ff8f92679de3f8e2af5 [0,2,0,0,0,0|2,0,0]=4 6430 B13R0.66 CCSCC(=O)NCCOCCOC 4b36827c0d6f2a150f2e1398f228486f [0,2,0,0,0,0|2,0,0]=4 6431 B13R0.66 CCSCCCCNC(=O)CCC#N d5f97a27311078b61e5afac0bcfbaf2c [0,2,0,0,0,0|1,0,1]=4 6432 B13R0.66 CCSCCCCNC(=O)CCC=O 4658ab44ad7c73cce4feb294ec709b6e [0,2,0,0,0,0|1,0,1]=4 6433 B13R0.66 CCSCCCCNC(=O)CCCF 1ffb9250e02ebe72b41d81151451bf31 [0,2,0,0,0,0|1,0,0]=3 6434 B13R0.66 CCSCCCCNC(=O)CCCS e689ff8bc8aa17c4cb49edc7ff6617fa [0,2,0,0,0,0|1,0,0]=3 6435 B13R0.66 CCSCCCCNC(=O)CCOC 392b1ecd11e4b02f9f0e3cdbf618f514 [0,2,0,0,0,0|1,0,0]=3 6436 B13R0.66 CCSCCCCNC(=O)CCSC e33048a0a4fb73bcf6682ee92c55bb93 [0,2,0,0,0,0|1,0,0]=3 6437 B13R0.66 CCSCCCCNC(=O)CSCC acbdd758ee1ac344e85daca80f26f15a [0,2,0,0,0,0|1,0,0]=3 6438 B13R0.66 CCSCCCCNC(=O)CSSC 5365e88f384324da1a4517933240dccb [0,2,0,0,0,0|2,0,0]=4 6439 B13R0.66 CCSCCCCNC(=O)NCCF e689e14bc8ed9b585fa1f913ac1f991f [0,2,0,0,0,0|2,0,0]=4 6440 B13R0.66 CCSCCCCNC(=O)NCCN dd4c81ddec69525ad0a59d7f0780a1d3 [0,2,0,0,0,0|2,0,0]=4 6441 B13R0.66 CCSCCCCNC(=O)NCCO 9ddd49a31b18ec4678a1f8d79455a846 [0,2,0,0,0,0|2,0,0]=4 6442 B13R0.66 CCSCCCCNC(=O)NCCS 9685c2bee97d46eeb29a5a05a8bb7239 [0,2,0,0,0,0|2,0,0]=4 6443 B13R0.66 CCSCCCOCC(=O)CCSC 456d2b875352874b1cdd6a0919e6028b [0,2,0,0,0,0|1,0,0]=3 6444 B13R0.66 COCCC(=O)NCCCCCC#N 92eac9dc96d3a0900aaa9eb86061fb2b [0,2,0,0,0,0|1,0,1]=4 6445 B13R0.66 COCCC(=O)NCCCCCCCl 55265e7db177b1d7e6ff3f4a83ffbe87 [0,2,0,0,0,0|1,0,0]=3 6446 B13R0.66 COCCC(=O)NCCCCCCO bcdaff55fa6de87fbf6107b350956194 [0,2,0,0,0,0|1,0,0]=3 6447 B13R0.66 COCCC(=O)NCCCOCCO fdf551cccbe968471774adcf1782a143 [0,2,0,0,0,0|2,0,0]=4 6448 B13R0.66 COCCC(=O)NCCOCCCO 82b7c7fdcf11bec677aa0171b6b6a38d [0,2,0,0,0,0|2,0,0]=4 6449 B13R0.66 COCCC(C)OCCCCCCF 726a713fd736477fcdbf7fcd1ec4fde9 [0,2,0,0,0,0|1,0,1]=4 6450 B13R0.66 COCCCCCNC(=O)CCC#N 6163ca313c75c082419463f224dfbef7 [0,2,0,0,0,0|1,0,1]=4 6451 B13R0.66 COCCCCCNC(=O)CCC=O a755dbd6206220519120fba3be0fac0e [0,2,0,0,0,0|1,0,1]=4 6452 B13R0.66 COCCCCCNC(=O)CCCF 80b76b1da714a75de114b171d597575c [0,2,0,0,0,0|1,0,0]=3 6453 B13R0.66 COCCCCCNC(=O)CCCS 69d06aabd0f77cfbac6ef779627739dd [0,2,0,0,0,0|1,0,0]=3 6454 B13R0.66 COCCCCCNC(=O)CCOC 6f4a7775a942f1e467b708cdb0c146e4 [0,2,0,0,0,0|1,0,0]=3 6455 B13R0.66 COCCCCCNC(=O)CCSC 467c603a0ed37ca8e85edae597df07db [0,2,0,0,0,0|1,0,0]=3 6456 B13R0.66 COCCCCCNC(=O)CSSC 85bf543502fe238e623e5936d5925579 [0,2,0,0,0,0|2,0,0]=4 6457 B13R0.66 COCCCCCNC(=O)NCCF 63b5cc1eacba79ed97cf7f55cf7c0b85 [0,2,0,0,0,0|2,0,0]=4 6458 B13R0.66 COCCCCCNC(=O)NCCN 3db9ec9680494c8191bcc6d1546d8265 [0,2,0,0,0,0|2,0,0]=4 6459 B13R0.66 COCCCCCNC(=O)NCCO f7f8a5b36aa4e7662a1057707c112d32 [0,2,0,0,0,0|2,0,0]=4 6460 B13R0.66 COCCCCCNC(=O)NCCS 67c2d95ca501b45fef6d991dd59c6679 [0,2,0,0,0,0|2,0,0]=4 6461 B13R0.66 COCCCCCOC(C)CCOC ac41e8d78d9a3c00917413bff41b4c79 [0,2,0,0,0,0|1,0,1]=4 6462 B13R0.66 COCCCCCOC(C)CCSC 6c115184d94afc626a20aca57e62bb73 [0,2,0,0,0,0|1,0,1]=4 6463 B13R0.66 COCCCCNCC(=O)CCSC d9315ee95f5cf8b159fb07ad6e7bbe74 [0,2,0,0,0,0|2,0,0]=4 6464 B13R0.66 COCCCCOCC(=O)CCSC 34f0ae13690b895c84001ea0478423c2 [0,2,0,0,0,0|1,0,0]=3 6465 B13R0.66 COCCOCCNC(=O)CCCF 0df50fbd3b78fd4d5cef4c2ed50af49f [0,2,0,0,0,0|2,0,0]=4 6466 B13R0.66 COCCOCCNC(=O)CCCS b2d3e7327223e7ad6e92be2097f47af8 [0,2,0,0,0,0|2,0,0]=4 6467 B13R0.66 COCCOCCNC(=O)CCOC a0c87517f38b467f22023d5539c7cf06 [0,2,0,0,0,0|2,0,0]=4 6468 B13R0.66 COCCOCCNC(=O)CCSC bc5bfbe9f35a70b0b3e89ba1798c98b8 [0,2,0,0,0,0|2,0,0]=4 6469 B13R0.66 CSCCC(=O)CNCCCCCCl 4275e095e43146a82624c34237883f26 [0,2,0,0,0,0|2,0,0]=4 6470 B13R0.66 CSCCC(=O)CNCCCCCO 779148081564a95a22beb24c6e2e170b [0,2,0,0,0,0|2,0,0]=4 6471 B13R0.66 CSCCC(=O)COCCCCC#N e3345f66fb6c048b74824afdc75019b7 [0,2,0,0,0,0|1,0,1]=4 6472 B13R0.66 CSCCC(=O)COCCCCC=O 0df1c0111df90c3b216539a8ebecc62d [0,2,0,0,0,0|1,0,1]=4 6473 B13R0.66 CSCCC(=O)COCCOCCF ed447eac415fd7e8faead6f46628b9c5 [0,2,0,0,0,0|2,0,0]=4 6474 B13R0.66 CSCCC(=O)COCCOCCS 4b14bd1fb0fb4593c2838553d722761c [0,2,0,0,0,0|2,0,0]=4 6475 B13R0.66 CSCCC(=O)NCCCCCC#N 86fba5ca03165337ec3dd2e9eff8d159 [0,2,0,0,0,0|1,0,1]=4 6476 B13R0.66 CSCCC(=O)NCCCCCCCl c35474758c96747b6167cd5880b7ed5e [0,2,0,0,0,0|1,0,0]=3 6477 B13R0.66 CSCCC(=O)NCCCCCCO be36f24da9f29e3c9ea6dacf7bccd4ab [0,2,0,0,0,0|1,0,0]=3 6478 B13R0.66 CSCCC(=O)NCCCOCCO 571fcd93505824c48313af15c9f5e2cc [0,2,0,0,0,0|2,0,0]=4 6479 B13R0.66 CSCCC(=O)NCCOCCCO ae72b22301f53af67349be999d58628e [0,2,0,0,0,0|2,0,0]=4 6480 B13R0.66 CSCCC(C)OCCCCCCF 271fb8a2c85aedaf9b6a190f9e5eb8ce [0,2,0,0,0,0|1,0,1]=4 6481 B13R0.66 CSCCCCCCC(=O)NCCBr 5a0f56244f0b886922fd5f579e170d2f [0,2,0,0,0,0|2,0,0]=4 6482 B13R0.66 CSCCCCCCC(=O)NCCF 8a3706ddfa2e3c9bac0b85731997a755 [0,2,0,0,0,0|2,0,0]=4 6483 B13R0.66 CSCCCCCCC(=O)NCCI af0eeaa213ddf642b2134421c3393031 [0,2,0,0,0,0|2,0,0]=4 6484 B13R0.66 CSCCCCCCC(=O)NCCO ce3f311950dd9f32f357337c76b74af0 [0,2,0,0,0,0|2,0,0]=4 6485 B13R0.66 CSCCCCCCC(=O)NCCS 7e66c8993342fb847191957ebc0b9ae1 [0,2,0,0,0,0|2,0,0]=4 6486 B13R0.66 CSCCCCNCC(=O)CCSC 7c86f2f6f594f69e0a8ab66204697858 [0,2,0,0,0,0|2,0,0]=4 6487 B13R0.66 CSCCCCOCC(=O)CCSC 379e147bde125d9a8b1bfc5ca2df0a28 [0,2,0,0,0,0|1,0,0]=3 6488 B13R0.66 CSSCC(=O)NCCCCCCCl 85ed237f61c107732040b55a28309b4a [0,2,0,0,0,0|2,0,0]=4 6489 B13R0.66 CSSCC(=O)NCCCCCCO 6e07a3a0a313ffc771fdf3b03c0fa5ae [0,2,0,0,0,0|2,0,0]=4 6490 B13R0.66 N#CCCC(=O)NCCCCCCCl 35b43e8e2bb7926815c1d48d01a71a2c [0,2,0,0,0,0|1,0,1]=4 6491 B13R0.66 N#CCCC(=O)NCCCCCCO 317bccb488d9b7295ed3ada17cb2b625 [0,2,0,0,0,0|1,0,1]=4 6492 B13R0.66 N#CCCCCCNC(=O)CCCF 55e8e2f05f1e7a1cf4f8a91678b742a4 [0,2,0,0,0,0|1,0,1]=4 6493 B13R0.66 N#CCCCCCNC(=O)CCCS 5259ed6dbd39c591108437d99b87de2b [0,2,0,0,0,0|1,0,1]=4 6494 B13R0.66 NCCCCCCNC(=O)NCCF 5023d30d44182533beac4887508f2bdf [0,2,0,0,0,0|2,0,0]=4 6495 B13R0.66 NCCCCCCNC(=O)NCCN 940e5fdfdaec965689d8e3d5cb59928f [0,2,0,0,0,0|2,0,0]=4 6496 B13R0.66 NCCCCCCNC(=O)NCCO 1ecc2f74ef785811770d126082a5b2ed [0,2,0,0,0,0|2,0,0]=4 6497 B13R0.66 NCCCCCCNC(=O)NCCS e02bcd536d411fbbbac532b8be4243ca [0,2,0,0,0,0|2,0,0]=4 6498 B13R0.66 NCCNC(=O)NCCCCCCO 1cb89772d901d5585b15eb66913fe893 [0,2,0,0,0,0|2,0,0]=4 6499 B13R0.66 O=C(CCCCCCCF)NCCBr d4480ac74bec635be3d2af6ac686ca41 [0,2,0,0,0,0|2,0,0]=4 6500 B13R0.66 O=C(CCCCCCCF)NCCF 23fe42fe3cdfc7718750411f724a049d [0,2,0,0,0,0|2,0,0]=4 6501 B13R0.66 O=C(CCCCCCCF)NCCI 0fadd6b56f20de0a6c165c0fc672acf1 [0,2,0,0,0,0|2,0,0]=4 6502 B13R0.66 O=C(CCCCCCCF)NCCO 0296695e444f2974fc7f82cc22887620 [0,2,0,0,0,0|2,0,0]=4 6503 B13R0.66 O=C(CCCCCCCF)NCCS 875c727917834289ca36dfe46eadf718 [0,2,0,0,0,0|2,0,0]=4 6504 B13R0.66 O=C(CCCCCCCO)NCCBr 1130af5f39760ab7c212a4e40917267f [0,2,0,0,0,0|2,0,0]=4 6505 B13R0.66 O=C(CCCCCCCO)NCCF 9ac6c225ab299a5f4dfc3a0805f5a99e [0,2,0,0,0,0|2,0,0]=4 6506 B13R0.66 O=C(CCCCCCCO)NCCI 6bbcb89105510e58bc6057b01851e512 [0,2,0,0,0,0|2,0,0]=4 6507 B13R0.66 O=C(CCCCCCCO)NCCO 8fc044ae3fc6cb2a25c4f9201407d52c [0,2,0,0,0,0|2,0,0]=4 6508 B13R0.66 O=C(CCCCCCCO)NCCS 5fd124484a5acb194e66ee33e4d00766 [0,2,0,0,0,0|2,0,0]=4 6509 B13R0.66 O=C(CCCCCCCS)NCCBr 6a541ff76be1a923895e64bd0e966e09 [0,2,0,0,0,0|2,0,0]=4 6510 B13R0.66 O=C(CCCCCCCS)NCCF 60dc2e3ee8b84f582c3464fce3d171de [0,2,0,0,0,0|2,0,0]=4 6511 B13R0.66 O=C(CCCCCCCS)NCCI 3187d879f4e9cfe87793fde02a64c7d2 [0,2,0,0,0,0|2,0,0]=4 6512 B13R0.66 O=C(CCCCCCCS)NCCO 5061c94b5952e11cd5aa08eb06a652f1 [0,2,0,0,0,0|2,0,0]=4 6513 B13R0.66 O=C(CCCCCCCS)NCCS cbeb48802f6559ff444c38af1bebfe8f [0,2,0,0,0,0|2,0,0]=4 6514 B13R0.66 O=C(CCCF)NCCCCCCCl 32ed9f9f26b9eefb29b5dd13b43bb224 [0,2,0,0,0,0|1,0,0]=3 6515 B13R0.66 O=C(CCCF)NCCCCCCO 0efacbc5482e809090ffa0a4eb654ee6 [0,2,0,0,0,0|1,0,0]=3 6516 B13R0.66 O=C(CCCF)NCCCOCCO 24a54c042cebf35d042a91a25e51b10a [0,2,0,0,0,0|2,0,0]=4 6517 B13R0.66 O=C(CCCF)NCCOCCCO 46f0f9bdf01e9360001c428d9ecf0396 [0,2,0,0,0,0|2,0,0]=4 6518 B13R0.66 O=C(CCCS)NCCCCCCCl 6c4a99928823f096dd6d88551122ed9a [0,2,0,0,0,0|1,0,0]=3 6519 B13R0.66 O=C(CCCS)NCCCCCCO bda5aa1175af52f3df6912fa5edc7d03 [0,2,0,0,0,0|1,0,0]=3 6520 B13R0.66 O=C(CCCS)NCCCOCCO 94a8cee3bed3b88a98b8a3decf04e3b2 [0,2,0,0,0,0|2,0,0]=4 6521 B13R0.66 O=C(CCCS)NCCOCCCO ecd1614610aa2ba6d60e7da2669266d8 [0,2,0,0,0,0|2,0,0]=4 6522 B13R0.66 O=C(NCCF)NCCCCCCO 26154d7385c2de6c2a74b81af2e625ca [0,2,0,0,0,0|2,0,0]=4 6523 B13R0.66 O=C(NCCO)NCCCCCCO 6243de7dc8b7b4458492c0f51fa52a5b [0,2,0,0,0,0|2,0,0]=4 6524 B13R0.66 O=C(NCCS)NCCCCCCO 860c2c1f9e5d0f02d6f493ad7ecea35b [0,2,0,0,0,0|2,0,0]=4 6525 B13R0.66 O=CCCC(=O)NCCCCCCCl 84c76334532583374bd5d587d8c74cfb [0,2,0,0,0,0|1,0,1]=4 6526 B13R0.66 O=CCCC(=O)NCCCCCCO 9d80ec12b9e381b2b47dc5b9af9a4cc9 [0,2,0,0,0,0|1,0,1]=4 6527 B13R0.87 C=C(CC)COCCOC(=O)CCC 1ceb1283727441276a51ba733089a741 [0,2,0,0,0,0|0,0,1]=3 6528 B13R0.87 C=C(COCCOC(=O)CCC)OC 3cdc0070a0b747b321c9b4d57b7bac4d [0,2,0,0,0,0|1,0,1]=4 6529 B13R0.87 CCC(C)CCCOCC(=O)COC 113601798062370121699ce8cf52d9d5 [0,2,0,0,0,0|1,0,0]=3 6530 B13R0.87 CCCC(=O)CNCCCC(C)CO c31a4f1b7a4ba676b2a2a3242d21333c [0,2,0,0,0,0|2,0,0]=4 6531 B13R0.87 CCCC(=O)CNCCCN(C)CC 00f1b07a161bab5a081b8e10162e7c5f [0,2,0,0,0,0|2,0,0]=4 6532 B13R0.87 CCCC(=O)COCCCC(=O)NC 84a398cc633d4fefbd69acb0fbe66c5e [0,2,0,0,0,0|1,0,1]=4 6533 B13R0.87 CCCC(=O)COCCCC(C)CC d66adeb2e85eb013c947927cb2df7cf3 [0,2,0,0,0,0|0,0,0]=2 6534 B13R0.87 CCCC(=O)COCCCN(C)CC d272483c97b3bcfb2551e82054da19a0 [0,2,0,0,0,0|1,0,0]=3 6535 B13R0.87 CCCC(=O)COCCC[C@@H](C)CC 5dd8bddcfd6726c6f19e58f22340f114 [0,2,0,0,0,0|0,0,0]=2 6536 B13R0.87 CCCC(=O)COCCNC(=O)CC 27df7f3538224b9175d0f41f2404e48c [0,2,0,0,0,0|1,0,1]=4 6537 B13R0.87 CCCC(=O)COCCOC(=O)CC 4c0ec3e684224b8dc0c258988d1dd5b3 [0,2,0,0,0,0|1,0,1]=4 6538 B13R0.87 CCCC(=O)NCCCCC(=O)OC d0170e7fa5147a40247cb581f584085c [0,2,0,0,0,0|1,0,1]=4 6539 B13R0.87 CCCC(=O)OCCOCC(=O)CC e1d182923ebc7729af2e0f96a7adc706 [0,2,0,0,0,0|0,0,1]=3 6540 B13R0.87 CCCC(=O)OCCOCC(=O)NC 481480e27ad2f76e08e9d8a9b4f1536e [0,2,0,0,0,0|1,0,1]=4 6541 B13R0.87 CCCC(=O)OCCOCC(=O)OC ff4000b14e7d9e38cd0d45f9fb401df3 [0,2,0,0,0,0|1,0,1]=4 6542 B13R0.87 CCCC(=O)OCCOCC(C)C#N 1d4a33b56ddcb6c533c1e7de16b20deb [0,2,0,0,0,0|1,0,0]=3 6543 B13R0.87 CCCC(=O)OCCOCC(C)CC bd9bd14f7fea3be34789b426da1b82a5 [0,2,0,0,0,0|0,0,0]=2 6544 B13R0.87 CCCC(=O)OCCOCC(C)OC 8e6ec6b587cca2c3fd2219dd7fadf76c [0,2,0,0,0,0|1,0,0]=3 6545 B13R0.87 CCCC(=O)OCCOCC(O)CO f2504ee617b28803557c8d4343c251ac [0,2,0,0,0,0|1,0,0]=3 6546 B13R0.87 CCCC(=O)OCCOC[C@@H](C)CC 885bd95462b694a3dbc7d74761359b02 [0,2,0,0,0,0|0,0,0]=2 6547 B13R0.87 CCCC(=O)OCCOC[C@@H](C)OC 00ae987ce599cf9934a0594615943267 [0,2,0,0,0,0|1,0,0]=3 6548 B13R0.87 CCCC(=O)OCCOC[C@@H](O)CO bdee9673a08cfa4316380d285e1df26a [0,2,0,0,0,0|1,0,0]=3 6549 B13R0.87 CCCC(=O)OCCOC[C@H](C)CC 5aaff944614942c0c14868e803a9eaab [0,2,0,0,0,0|0,0,0]=2 6550 B13R0.87 CCCC(=O)OCCOC[C@H](C)OC 48e23fa5107689e1fccdd69645fbceef [0,2,0,0,0,0|1,0,0]=3 6551 B13R0.87 CCCC(=O)OCCOC[C@H](O)CO 89a927195dcbf71f82be8c778cb5b21f [0,2,0,0,0,0|1,0,0]=3 6552 B13R0.87 CCCC(=O)OCNCCC(=O)NC f854d8d779f3eeb262348de5be53cf8d [0,2,0,0,0,0|1,0,1]=4 6553 B13R0.87 CCCC(=O)OCNCCC(=O)OC 6528afa8dcea8c9713eb2f1424c9a438 [0,2,0,0,0,0|1,0,1]=4 6554 B13R0.87 CCCC(=O)OCNCCC(C)CC 5810cf48ac88327d08b47e7e138dee22 [0,2,0,0,0,0|0,0,0]=2 6555 B13R0.87 CCCC(=O)OCNCCC(C)CO 25d294deb395eab0ebad0926bd77d799 [0,2,0,0,0,0|1,0,0]=3 6556 B13R0.87 CCCC(=O)OCNCCC(O)CO a6f7477150e9ba719b038b1e0412fa75 [0,2,0,0,0,0|1,0,0]=3 6557 B13R0.87 CCCC(=O)OCNCC[C@@H](C)CO 87e5abc7811c1ede77d5db4cd05814d7 [0,2,0,0,0,0|1,0,0]=3 6558 B13R0.87 CCCC(=O)OCOCCC(=O)NC 803a83afdba5dc3d4bf725924a6b5aee [0,2,0,0,0,0|1,0,1]=4 6559 B13R0.87 CCCC(=O)OCOCCC(=O)OC cf12cf424f40c1cdb11d04d6fb1be612 [0,2,0,0,0,0|1,0,1]=4 6560 B13R0.87 CCCC(=O)OCOCCC(C)CC 9a305cad921e352d3c0f5cef44b86559 [0,2,0,0,0,0|0,0,0]=2 6561 B13R0.87 CCCC(=O)OCOCCC(C)OC b7145564f40a33128f245a7ed5ea1a36 [0,2,0,0,0,0|1,0,0]=3 6562 B13R0.87 CCCC(=O)OCOCCC(S)CC c8f13bf9b30f9765a158b4c8ba54e1c8 [0,2,0,0,0,0|0,0,0]=2 6563 B13R0.87 CCCC(=O)OCOCCN(C)C=O 452788ec6012895731ed1c3ecdbe2bd5 [0,2,0,0,0,0|2,0,0]=4 6564 B13R0.87 CCCC(=O)OCOCC[C@@H](C)CC d423348311efd53f84b6bbd62946579c [0,2,0,0,0,0|0,0,0]=2 6565 B13R0.87 CCCC(=S)OCCCCC(=O)CC f78d4401a39275306c4cd68e7ee89016 [0,2,0,0,0,0|0,1,0]=3 6566 B13R0.87 CCCC(=S)OCCCCC(=O)OC 8e2803313fbc6e9ae079df1b59ee7057 [0,2,0,0,0,0|0,1,1]=4 6567 B13R0.87 CCCC(C)COCCCC(C)CC 61c23dd14ea2d25a77ebb504a8651fbc [0,2,0,0,0,0|1,0,1]=4 6568 B13R0.87 CCCC(C)COCCC[C@@H](C)CC b112e206d3f310485dc57d10dcef0169 [0,2,0,0,0,0|1,0,1]=4 6569 B13R0.87 CCCC(C)OCCCCC(=O)CC 12bd6738c788391be023505fc7659cba [0,2,0,0,0,0|1,0,1]=4 6570 B13R0.87 CCCC(C)OCCCCC(C)CC 05f06f9b0d9854930a3cf4b9358e9489 [0,2,0,0,0,0|1,0,1]=4 6571 B13R0.87 CCCC(C)OCCCC[C@@H](C)CC 7346a4e3a42011921506a0ff535d480b [0,2,0,0,0,0|1,0,1]=4 6572 B13R0.87 CCC[C@@H](C)OCCCCC(=O)CC e5afa2a0fa75dbf81a06ff9db80dc127 [0,2,0,0,0,0|1,0,1]=4 6573 B13R0.87 CCC[C@H](C)OCCCCC(=O)CC f5cf88c24fd503915bd5d79b457e5adf [0,2,0,0,0,0|1,0,1]=4 6574 B13R0.87 CCN(C)CCCOCC(=O)COC 6f847248c1e5e4cbac365dcad5f6321b [0,2,0,0,0,0|2,0,0]=4 6575 B13R0.87 CCNC(=O)CCNCCC(C)CC 5f3166cb08f585a2487d340b1100a1ee [0,2,0,0,0,0|2,0,0]=4 6576 B13R0.87 CCNC(=O)CCOCCC(C)CC 3d1dd4bc3ee4f536ce56b444745d8690 [0,2,0,0,0,0|2,0,0]=4 6577 B13R0.87 CCNC(=O)CCOCCC(S)CC f68572c2e3d55f693b05f4bda3f3de40 [0,2,0,0,0,0|2,0,0]=4 6578 B13R0.87 CCNC(=O)CCOCC[C@@H](C)CC 2e75f4085452ae6563d6f5fc449cb775 [0,2,0,0,0,0|2,0,0]=4 6579 B13R0.87 CCNC(=O)COCCCC(C)CC 3707fe305cf0e7a5664166de4c4de6f4 [0,2,0,0,0,0|1,0,0]=3 6580 B13R0.87 CCNC(=O)COCCCN(C)CC 92d91f37d9e3e06a625ec67ae38370f4 [0,2,0,0,0,0|2,0,0]=4 6581 B13R0.87 CCNC(=O)COCCC[C@@H](C)CC c17bed599e95eb7fc93021cb916eb95e [0,2,0,0,0,0|1,0,0]=3 6582 B13R0.87 CCOC(=O)CCCCCN(C)CC b74fe1f1bfed6401382fe2faf0d395c5 [0,2,0,0,0,0|2,0,0]=4 6583 B13R0.87 CCOC(=O)CCCCNC(C)CC c9ea74b561bc06bd06ceecd375056580 [0,2,0,0,0,0|2,0,0]=4 6584 B13R0.87 CCOC(=O)CCCCN[C@@H](C)CC f84601050f44f96937c7e470be594585 [0,2,0,0,0,0|2,0,0]=4 6585 B13R0.87 CCOC(=O)CCCCN[C@H](C)CC 81ee454ffbce04778cb37986c8e7b3fd [0,2,0,0,0,0|2,0,0]=4 6586 B13R0.87 CCOC(=O)CCCCOC(C)CC 586188e807cc033fef1ce1777ebd4234 [0,2,0,0,0,0|2,0,0]=4 6587 B13R0.87 CCOC(=O)CCCCO[C@@H](C)CC 3fd574dec3d719ef8c3f5a41a9665a00 [0,2,0,0,0,0|2,0,0]=4 6588 B13R0.87 CCOC(=O)CCCCO[C@H](C)CC 1508d7b83847cfd55f2278e9473f2569 [0,2,0,0,0,0|2,0,0]=4 6589 B13R0.87 CCOC(=O)CCCNCC(C)CC 7752c12d44cd4816801a689c74b8f0a6 [0,2,0,0,0,0|2,0,0]=4 6590 B13R0.87 CCOC(=O)CCCNCC(O)CC 6aef5886d4559a2cb9bc769217762b12 [0,2,0,0,0,0|2,0,0]=4 6591 B13R0.87 CCOC(=O)CCCNC[C@@H](C)CC 12a2a83b9834b581657f42d4745bacae [0,2,0,0,0,0|2,0,0]=4 6592 B13R0.87 CCOC(=O)CCCNC[C@H](C)CC 8eafa62829d90de2c894d7db90d256b3 [0,2,0,0,0,0|2,0,0]=4 6593 B13R0.87 CCOC(=O)CCCNC[C@H](O)CC 1d4159c1f747bb64a2d212918c3dad3f [0,2,0,0,0,0|2,0,0]=4 6594 B13R0.87 CCOC(=O)CCCOCC(C)CC 31992e8ec45472dc3b27856d756f31cf [0,2,0,0,0,0|2,0,0]=4 6595 B13R0.87 CCOC(=O)CCCOC[C@@H](C)CC 217a1fd1b2c148ce63d5811872d4755d [0,2,0,0,0,0|2,0,0]=4 6596 B13R0.87 CCOC(=O)CCCOC[C@H](C)CC c56cbd6a796c991611e6db1b607be590 [0,2,0,0,0,0|2,0,0]=4 6597 B13R0.87 CCOC(=O)CCNCCC(C)CC 6e7ea462fb617c3b31d7842955175923 [0,2,0,0,0,0|2,0,0]=4 6598 B13R0.87 CCOC(=O)CCOCCC(C)CC bf8490426bf8ed17e01d6ec2da9f23ea [0,2,0,0,0,0|2,0,0]=4 6599 B13R0.87 CCOC(=O)CCOCCC(S)CC 0a06d859d2612521ca677ea96301612f [0,2,0,0,0,0|2,0,0]=4 6600 B13R0.87 CCOC(=O)CCOCC[C@@H](C)CC 2b801d5935d2051bd6f740c796eb5bb3 [0,2,0,0,0,0|2,0,0]=4 6601 B13R0.87 CCOC(=O)COCCCC(C)CC 7c71236fb94ea31cdd2e3158725048dd [0,2,0,0,0,0|1,0,0]=3 6602 B13R0.87 CCOC(=O)COCCCN(C)CC eaea97d2be802f93fdad55475ea2896b [0,2,0,0,0,0|2,0,0]=4 6603 B13R0.87 CCOC(=O)COCCC[C@@H](C)CC 7079bcc56fa0f45798b2928722b28e30 [0,2,0,0,0,0|1,0,0]=3 6604 B13R0.87 CCOC(=O)COCCOC(C)CC 7e9b87db271f51138383dc0e6ae5e23e [0,2,0,0,0,0|2,0,0]=4 6605 B13R0.87 CCOC(=O)COCCO[C@@H](C)CC c9776bd5d238fb16a3360b995053e2b3 [0,2,0,0,0,0|2,0,0]=4 6606 B13R0.87 CCOC(=O)COCCO[C@H](C)CC 85ca71f277fc3a77b04c52603d6b6e64 [0,2,0,0,0,0|2,0,0]=4 6607 B13R0.87 CCOC(=O)OCNCCC(C)CC 18fa771f9ef1524d29c2dfde7dd99a37 [0,2,0,0,0,0|1,0,0]=3 6608 B13R0.87 CCOC(=O)OCNCCC(C)CO 4a4a1063c3d84df11fc36125c583cd49 [0,2,0,0,0,0|2,0,0]=4 6609 B13R0.87 CCOC(=O)OCNCCC(O)CO 14fe8eed9f40d8cfcf129fcfe6c0cfbe [0,2,0,0,0,0|2,0,0]=4 6610 B13R0.87 CCOC(=O)OCNCC[C@@H](C)CO 3c793e770e6794852cfaf8cfcaefad79 [0,2,0,0,0,0|2,0,0]=4 6611 B13R0.87 CCOC(=O)OCOCCC(C)CC 4cd1cb77882d25a1079aa9e07abb8212 [0,2,0,0,0,0|1,0,0]=3 6612 B13R0.87 CCOC(=O)OCOCCC(C)OC 9fec866deb952ed30d03435e1d4ee283 [0,2,0,0,0,0|2,0,0]=4 6613 B13R0.87 CCOC(=O)OCOCCC(S)CC 37fdc5eaa446a4a3fc57cf8ccbb8ab7c [0,2,0,0,0,0|1,0,0]=3 6614 B13R0.87 CCOC(=O)OCOCC[C@@H](C)CC 6a22af9a1025648096747c2253494bc4 [0,2,0,0,0,0|1,0,0]=3 6615 B13R0.87 CCSC(=O)OCNCCC(C)CC 66615603fa81d6aa6139621df727706e [0,2,0,0,0,0|1,0,0]=3 6616 B13R0.87 CCSC(=O)OCNCCC(C)CO 7a332a6a5dbf0a80decf0dc3ad372042 [0,2,0,0,0,0|2,0,0]=4 6617 B13R0.87 CCSC(=O)OCNCCC(O)CO ab0241689e3362a3f2b73ae6609756a5 [0,2,0,0,0,0|2,0,0]=4 6618 B13R0.87 CCSC(=O)OCNCC[C@@H](C)CO 14d8ddf52bf7a786341d2d1db8db2cf4 [0,2,0,0,0,0|2,0,0]=4 6619 B13R0.87 CCSC(=O)OCOCCC(C)CC 24cbd4506c0c5ed4d2131f7536b8d824 [0,2,0,0,0,0|1,0,0]=3 6620 B13R0.87 CCSC(=O)OCOCCC(C)OC 1f09e489df83b506dbb2752186510275 [0,2,0,0,0,0|2,0,0]=4 6621 B13R0.87 CCSC(=O)OCOCCC(S)CC 767e173d639c0d861044be5fcd3b45c6 [0,2,0,0,0,0|1,0,0]=3 6622 B13R0.87 CCSC(=O)OCOCC[C@@H](C)CC fd60f3d38e7e85209f43aba228995833 [0,2,0,0,0,0|1,0,0]=3 6623 B13R0.87 CC[C@H](C)CCCOCC(=O)COC 88a54be434ffdf99548db057e7e9a623 [0,2,0,0,0,0|1,0,0]=3 6624 B13R0.88 C=C(C)CCCOCOC(=O)CCC a91bd22b4462dbcea79f143632ec4846 [0,2,0,0,0,0|0,0,1]=3 6625 B13R0.88 C=C(C)CCCOCOC(=O)OCC 273e108396516706a751d1cc7415441c [0,2,0,0,0,0|1,0,1]=4 6626 B13R0.88 C=C(C)CCCOCOC(=O)SCC 3b8cd9d4b1283de2e49fec48bef9841b [0,2,0,0,0,0|1,0,1]=4 6627 B13R0.88 C=C(C)CCOCCOC(=O)CCC 4d0965b06208eea0c03d1dca9c175748 [0,2,0,0,0,0|0,0,1]=3 6628 B13R0.88 C=C(C)COCCOCC(=O)CCC eb7aef8d754bdacd9be01d82ba82c41b [0,2,0,0,0,0|1,0,1]=4 6629 B13R0.88 CC(C)CCCCCNC(=O)CCF 66698563046ea99f8e2e195481abc21b [0,2,0,0,0,0|2,0,0]=4 6630 B13R0.88 CC(C)CCCCCNC(=O)CCO dd6ac559543bdd59defdbe9e8253428f [0,2,0,0,0,0|2,0,0]=4 6631 B13R0.88 CC(C)CCCCCNC(=O)CCS cd569d2d20cdf9d1ea3a9c8f0acd8174 [0,2,0,0,0,0|2,0,0]=4 6632 B13R0.88 CC(C)COCCCNC(=O)CCF b9d648b2cc95364bce5cd12e7e8d399a [0,2,0,0,0,0|2,0,0]=4 6633 B13R0.88 CC(C)COCCCNC(=O)CCO 97e7ca779a714ec1a710f0accd876ee3 [0,2,0,0,0,0|2,0,0]=4 6634 B13R0.88 CC(C)COCCCNC(=O)CCS 2eb11b897ac96de98d4160547a0800fd [0,2,0,0,0,0|2,0,0]=4 6635 B13R0.88 CCCC(=O)CNCCCCC(F)F 802dfff002bf0af78a02685754ced9f3 [0,2,0,0,0,0|2,0,0]=4 6636 B13R0.88 CCCC(=O)CNCCCCN(C)C 1a664268212f62cf7471c546ad3d9e55 [0,2,0,0,0,0|2,0,0]=4 6637 B13R0.88 CCCC(=O)CNCCCOC(C)C 4a8dc35416eb9a02fe053d5d8fc18caf [0,2,0,0,0,0|2,0,0]=4 6638 B13R0.88 CCCC(=O)CNCCCSC(C)C 63508172245d5a3c1cd98992725bedfb [0,2,0,0,0,0|2,0,0]=4 6639 B13R0.88 CCCC(=O)COCCCCC(=O)C 8c2f5cb648099ad098e3c21e60c47b64 [0,2,0,0,0,0|0,0,1]=3 6640 B13R0.88 CCCC(=O)COCCCCC(=O)N ddabdf3f7248ff2422009979843f7c18 [0,2,0,0,0,0|1,0,1]=4 6641 B13R0.88 CCCC(=O)COCCCCC(=O)O 3f96d5dc2a93b1f1cf70dab51db560f1 [0,2,0,0,0,0|1,0,1]=4 6642 B13R0.88 CCCC(=O)COCCCCC(C)C 02b08f2bd85f289427e05af2a837f942 [0,2,0,0,0,0|0,0,0]=2 6643 B13R0.88 CCCC(=O)COCCCCN(C)C 7d29196c80015ecbc9fc9e994078dc10 [0,2,0,0,0,0|1,0,0]=3 6644 B13R0.88 CCCC(=O)COCCCC[N+](=O)[O-] 4282ad2af7628e4782d88578ff358e20 [0,2,0,0,0,0|2,0,0]=4 6645 B13R0.88 CCCC(=O)COCCCNC(=O)C 0ea1ad1457b33e1d2611c9bced9e08e0 [0,2,0,0,0,0|1,0,1]=4 6646 B13R0.88 CCCC(=O)COCCCOC(=O)C 4155e8e615b7d9e8e16c20967d1b6a7b [0,2,0,0,0,0|1,0,1]=4 6647 B13R0.88 CCCC(=O)COCCCOC(C)C 9601c2d4658b68483baa37ef9746ddfe [0,2,0,0,0,0|1,0,0]=3 6648 B13R0.88 CCCC(=O)COCCCSC(=O)C a74bc7bd9264538adc06409e8dc4796c [0,2,0,0,0,0|1,0,1]=4 6649 B13R0.88 CCCC(=O)COCCCSC(C)C bd25802058d0c65b143ab714535c78f8 [0,2,0,0,0,0|1,0,0]=3 6650 B13R0.88 CCCC(=O)COCCOCC(C)C 505a3d7441f734cb14ea41a85162f796 [0,2,0,0,0,0|1,0,0]=3 6651 B13R0.88 CCCC(=O)COCCOCC(F)F a26f5cd037002e409918fb5594c385e3 [0,2,0,0,0,0|2,0,0]=4 6652 B13R0.88 CCCC(=O)COCCSCC(C)C 47874bf6bb5ffcd81e8911eba160491f [0,2,0,0,0,0|1,0,0]=3 6653 B13R0.88 CCCC(=O)NCCCCCC(=O)N b45243465111286704f331690e418063 [0,2,0,0,0,0|1,0,1]=4 6654 B13R0.88 CCCC(=O)NCCCCCC(C)C cee0b9b67e3d47094dd75f050b18a4ae [0,2,0,0,0,0|1,0,0]=3 6655 B13R0.88 CCCC(=O)NCCCCCN(C)C 6f5675589908720a0f1cd96f8d18f842 [0,2,0,0,0,0|1,0,0]=3 6656 B13R0.88 CCCC(=O)NCCCCNC(=O)C 9a93703161b09f3290c6a3f92f8e05b6 [0,2,0,0,0,0|1,0,1]=4 6657 B13R0.88 CCCC(=O)NCCCCOC(F)F 6e9ae0c92d6fe86611709cf0c64c2adf [0,2,0,0,0,0|2,0,0]=4 6658 B13R0.88 CCCC(=O)NCCCOCC(C)C 0ed588b725075cbb4789eb6fdbaa0420 [0,2,0,0,0,0|1,0,0]=3 6659 B13R0.88 CCCC(=O)NCCOCCN(C)C bbb137a64fa363f0b39475c3149452fe [0,2,0,0,0,0|2,0,0]=4 6660 B13R0.88 CCCC(=O)OCCCCOC(C)C 28231985a671e0e11169778dda38d8b4 [0,2,0,0,0,0|0,0,0]=2 6661 B13R0.88 CCCC(=O)OCCOC/C=C(/C)\I 4cb0264cb7a53662aae67c5a37a31727 [0,2,0,0,0,0|0,0,2]=4 6662 B13R0.88 CCCC(=O)OCCOC/C=C(\C)/Cl 343c005f00808cb197f6426cf9583380 [0,2,0,0,0,0|0,0,2]=4 6663 B13R0.88 CCCC(=O)OCCOCC=C(C)C f3779e5e089ce04a58b7090a848371b9 [0,2,0,0,0,0|0,0,2]=4 6664 B13R0.88 CCCC(=O)OCCOCC=C(C)Cl c78b612568e85720302fda6efe5bff92 [0,2,0,0,0,0|0,0,2]=4 6665 B13R0.88 CCCC(=O)OCCOCC=C(C)I e002049addc2e0cf0ee1ae86cbb9f822 [0,2,0,0,0,0|0,0,2]=4 6666 B13R0.88 CCCC(=O)OCCOCCC(=O)C 8885c7f6561466c80b5f2281d24bf5d5 [0,2,0,0,0,0|0,0,1]=3 6667 B13R0.88 CCCC(=O)OCCOCCC(=O)N a977154fc9d3b576169056e0510bfb85 [0,2,0,0,0,0|1,0,1]=4 6668 B13R0.88 CCCC(=O)OCCOCCC(=O)O 32f57bf43abfe2c045409033f5d93f88 [0,2,0,0,0,0|1,0,1]=4 6669 B13R0.88 CCCC(=O)OCCOCCC(C)C e06d38bef8bd799de9f72708c6060aac [0,2,0,0,0,0|0,0,0]=2 6670 B13R0.88 CCCC(=O)OCCOCCN(C)C 2594796e41c4d9c0e6ed7fd5e0f58960 [0,2,0,0,0,0|1,0,0]=3 6671 B13R0.88 CCCC(=O)OCCOCCS(=O)C a2e8207ddf6a2896c0c97e6339a393e2 [0,2,0,0,0,0|1,0,0]=3 6672 B13R0.88 CCCC(=O)OCCOCOC(=O)C 1e7d8dd3f7d56b1f04af835de811f71c [0,2,0,0,0,0|1,0,1]=4 6673 B13R0.88 CCCC(=O)OCCOCOC(C)C 45b9966ddeecb01c2b7ca9ce45661afe [0,2,0,0,0,0|1,0,0]=3 6674 B13R0.88 CCCC(=O)OCNCCCC(=O)N 0ac669fd38df9a674255a2ea659403a4 [0,2,0,0,0,0|1,0,1]=4 6675 B13R0.88 CCCC(=O)OCNCCCC(C)C 80fae2335f2589e400c54bfa6e9e2b29 [0,2,0,0,0,0|0,0,0]=2 6676 B13R0.88 CCCC(=O)OCNCCCN(C)C 02bda69ed9b33690d212673151c906d2 [0,2,0,0,0,0|1,0,0]=3 6677 B13R0.88 CCCC(=O)OCNCCCS(=O)C aebcfe3ff972552c9d7d6a565d77a503 [0,2,0,0,0,0|1,0,0]=3 6678 B13R0.88 CCCC(=O)OCNCCNC(=O)C 85dcb2084337bc914861bf044bed9dc2 [0,2,0,0,0,0|1,0,1]=4 6679 B13R0.88 CCCC(=O)OCNCCOC(C)C 6a897e8d957820a1d59e8856ab780fa7 [0,2,0,0,0,0|1,0,0]=3 6680 B13R0.88 CCCC(=O)OCNCCOC(F)F ee1e02732788c792f1bb4113e26549d4 [0,2,0,0,0,0|2,0,0]=4 6681 B13R0.88 CCCC(=O)OCOCCCC(=O)C 2390a36d13451c14c4fa30e1630ae3e1 [0,2,0,0,0,0|0,0,1]=3 6682 B13R0.88 CCCC(=O)OCOCCCC(=O)N db29542b4037423eeb5b01f7f256a419 [0,2,0,0,0,0|1,0,1]=4 6683 B13R0.88 CCCC(=O)OCOCCCC(C)C 42045fbe00572176bf2a7fe09d7080b4 [0,2,0,0,0,0|0,0,0]=2 6684 B13R0.88 CCCC(=O)OCOCCCN(C)C 5447df09a101cd0bc4eba551a7d23eda [0,2,0,0,0,0|1,0,0]=3 6685 B13R0.88 CCCC(=O)OCOCCC[N+](=O)[O-] af0c137cc945ca001176d2dcbdfcb31d [0,2,0,0,0,0|2,0,0]=4 6686 B13R0.88 CCCC(=O)OCOCCNC(=O)C 77eb456567809c70e0baba54fa2a5713 [0,2,0,0,0,0|1,0,1]=4 6687 B13R0.88 CCCC(=O)OCOCCOC(=O)C 9a2f52acb9418e2d6579c5da9ca6482d [0,2,0,0,0,0|1,0,1]=4 6688 B13R0.88 CCCC(=O)OCOCCOC(C)C bc71659ce087d41cb7802574c2edcda1 [0,2,0,0,0,0|1,0,0]=3 6689 B13R0.88 CCCC(=O)OCOCCOC(F)F 304c14ee93d637b2ba85447a97a9e609 [0,2,0,0,0,0|2,0,0]=4 6690 B13R0.88 CCCC(=O)OCOCCSC(C)C 5bb7b4a044794eb850a14396add97e77 [0,2,0,0,0,0|1,0,0]=3 6691 B13R0.88 CCCC(=S)OCCCCCC(=O)C 763d635890f6608e0d6666cd70e8342b [0,2,0,0,0,0|0,1,0]=3 6692 B13R0.88 CCCC(=S)OCCCCCC(=O)N cc2e94519d78c7075e9c8ac2eaf871ce [0,2,0,0,0,0|0,1,1]=4 6693 B13R0.88 CCCC(=S)OCCCCCC(=O)O 2aed497057693ad3b73b6ae1c1132132 [0,2,0,0,0,0|0,1,1]=4 6694 B13R0.88 CCCC(=S)OCCCCCC(C)C 9d74078bfb93e5b473e62d4e0ea4383c [0,2,0,0,0,0|0,1,0]=3 6695 B13R0.88 CCCC(=S)OCCCCCC(F)F 943d6a6c12877ec4c08450f731236e2f [0,2,0,0,0,0|0,1,0]=3 6696 B13R0.88 CCCC(=S)OCCCCOC(=O)C 49c9012ba43997a8fac4343a94c807f3 [0,2,0,0,0,0|0,1,1]=4 6697 B13R0.88 CCCC(=S)OCCCCSC(=O)C 88ef40347d9b27421bac501a11c685e3 [0,2,0,0,0,0|0,1,1]=4 6698 B13R0.88 CCCC(C)COCCCCC(C)C 0d29ace55035445683623e7bf4de7a00 [0,2,0,0,0,0|1,0,1]=4 6699 B13R0.88 CCCC(C)OCCCCCC(=O)C 73eff4a247995d2cbaba8b470a844c26 [0,2,0,0,0,0|1,0,1]=4 6700 B13R0.88 CCCC(C)OCCCCCC(C)C 408451774fdc9a1059a49bcfdfacaff7 [0,2,0,0,0,0|1,0,1]=4 6701 B13R0.88 CCCC(C)OCCCCCC(F)F e9f5c23960e05243b42c8bb92d620305 [0,2,0,0,0,0|1,0,1]=4 6702 B13R0.88 CCCC(C)OCCCCCN(C)C a2169809c9090a15a51f262dce4acc8e [0,2,0,0,0,0|1,0,1]=4 6703 B13R0.88 CCCC(C)OCCCOCC(C)C 6d499f8348091ab173a4af4347368f49 [0,2,0,0,0,0|1,0,1]=4 6704 B13R0.88 CCCC(C)OCCCSCC(C)C 44d2cc74b7d338a2ac9b481871a0b605 [0,2,0,0,0,0|1,0,1]=4 6705 B13R0.88 CCC[C@@H](C)OCCCCCC(=O)C 8f55765e61c810d33053ef8560fb72a1 [0,2,0,0,0,0|1,0,1]=4 6706 B13R0.88 CCC[C@@H](C)OCCCCCC(C)C 9cc71b6dbcd1d1a50ff4039998099b4c [0,2,0,0,0,0|1,0,1]=4 6707 B13R0.88 CCC[C@@H](C)OCCCCCC(F)F c532995dd6194f700691decf32539ac2 [0,2,0,0,0,0|1,0,1]=4 6708 B13R0.88 CCC[C@H](C)OCCCCCC(=O)C ef759a0780c9697eec5b5693dd0d69e7 [0,2,0,0,0,0|1,0,1]=4 6709 B13R0.88 CCC[C@H](C)OCCCCCC(C)C 45714b9888c8fc936c5c698d22b88af6 [0,2,0,0,0,0|1,0,1]=4 6710 B13R0.88 CCC[C@H](C)OCCCCCC(F)F 0bc1558faaf842d86625a97e5a4cfa7d [0,2,0,0,0,0|1,0,1]=4 6711 B13R0.88 CCNC(=O)CCNCCCC(C)C f10d2907e499d7e5f657f3bd55e06e44 [0,2,0,0,0,0|2,0,0]=4 6712 B13R0.88 CCNC(=O)CCOCCCC(C)C cf9918ac8254bdf5be56fcf81e4251a5 [0,2,0,0,0,0|2,0,0]=4 6713 B13R0.88 CCNC(=O)CNCCCCC(C)C 934ca46521d7eb83f534dbf9dde587c5 [0,2,0,0,0,0|2,0,0]=4 6714 B13R0.88 CCNC(=O)CNCCCCC(C)O 238e730c84f6d170a5b62c8b6323d80b [0,2,0,0,0,0|2,0,0]=4 6715 B13R0.88 CCNC(=O)CNCCCC[C@@H](C)O d75b7403bc15c2339e772edbdfceaaab [0,2,0,0,0,0|2,0,0]=4 6716 B13R0.88 CCNC(=O)COCCCCC(=O)C b5e829e4a811399c77cefa1e3c159b97 [0,2,0,0,0,0|1,0,1]=4 6717 B13R0.88 CCNC(=O)COCCCCC(C)C d4a4803d1d9864d8faf36a4de097b2ac [0,2,0,0,0,0|1,0,0]=3 6718 B13R0.88 CCNC(=O)COCCCCN(C)C 36942d742146136dc75c72cdbb5b460f [0,2,0,0,0,0|2,0,0]=4 6719 B13R0.88 CCNC(=O)COCCCOC(C)C ee25373701fdef88daa2d18b01578a56 [0,2,0,0,0,0|2,0,0]=4 6720 B13R0.88 CCNC(=O)COCCCSC(C)C 8a54464d40b6346b02e557a114cb975a [0,2,0,0,0,0|2,0,0]=4 6721 B13R0.88 CCNC(=O)COCCOCC(C)C 2e9470bb113beb76d7c4bb59761b79d5 [0,2,0,0,0,0|2,0,0]=4 6722 B13R0.88 CCNC(=O)COCCSCC(C)C 16ee2b39ea2dcb937c5c13bd6a8ab01d [0,2,0,0,0,0|2,0,0]=4 6723 B13R0.88 CCOC(=O)CCCCCNC(C)C 9a346b8e2f8f2036e5339aae6af108d6 [0,2,0,0,0,0|2,0,0]=4 6724 B13R0.88 CCOC(=O)CCCCCOC(C)C bc3ff2fbad16cead655576db8c71d979 [0,2,0,0,0,0|2,0,0]=4 6725 B13R0.88 CCOC(=O)CCCCNCC(C)C 1fb5cdf55debe86379349e8295c27405 [0,2,0,0,0,0|2,0,0]=4 6726 B13R0.88 CCOC(=O)CCCCNCC(C)O 2031012c6e7c519ab5e609d9f08ef1f2 [0,2,0,0,0,0|2,0,0]=4 6727 B13R0.88 CCOC(=O)CCCCNC[C@@H](C)O 1e86b5b5ea7286c29c807f6fb120e7fc [0,2,0,0,0,0|2,0,0]=4 6728 B13R0.88 CCOC(=O)CCCCNC[C@H](C)O c4de52b1a4678361efe9c9bf0fd36ef4 [0,2,0,0,0,0|2,0,0]=4 6729 B13R0.88 CCOC(=O)CCCCOCC(C)C 21b77034e92f635522bf29a9aff9967b [0,2,0,0,0,0|2,0,0]=4 6730 B13R0.88 CCOC(=O)CCCCOCC(C)F a3ab7024aeaf5d7c01e0a6ea6a78035b [0,2,0,0,0,0|2,0,0]=4 6731 B13R0.88 CCOC(=O)CCCCOCC(C)S 0ad503cf19c148eb56e5404bcadcafcb [0,2,0,0,0,0|2,0,0]=4 6732 B13R0.88 CCOC(=O)CCCCOC[C@@H](C)F 1b335ac9abc7d4c6c19a9776b2209053 [0,2,0,0,0,0|2,0,0]=4 6733 B13R0.88 CCOC(=O)CCCCOC[C@H](C)F ea0d1a859c000119a910016dd1fc3550 [0,2,0,0,0,0|2,0,0]=4 6734 B13R0.88 CCOC(=O)CCCNCCC(C)C 915b9e8627ac6cce7e7c613d645a9f5e [0,2,0,0,0,0|2,0,0]=4 6735 B13R0.88 CCOC(=O)CCCNCCC(C)O a7573d31565e89f3e7a02a3d53c18980 [0,2,0,0,0,0|2,0,0]=4 6736 B13R0.88 CCOC(=O)CCCNCC[C@@H](C)O 97730946afc6c6fd4d76d2e1fbfe4e69 [0,2,0,0,0,0|2,0,0]=4 6737 B13R0.88 CCOC(=O)CCCNCC[C@H](C)O 27aefea7a73779d09fbb1945567dbc1e [0,2,0,0,0,0|2,0,0]=4 6738 B13R0.88 CCOC(=O)CCCOCCC(C)C 99027117ea6810fabeaee741b7ca0504 [0,2,0,0,0,0|2,0,0]=4 6739 B13R0.88 CCOC(=O)CCNCCCC(C)C 6562300b48a26360008ff20d2e6f9d37 [0,2,0,0,0,0|2,0,0]=4 6740 B13R0.88 CCOC(=O)CCNCCCC(C)O 90d2deb68e60dcba1a5f167b80d6a884 [0,2,0,0,0,0|2,0,0]=4 6741 B13R0.88 CCOC(=O)CCOCCCC(C)C 3d872f858b2c825d93cbf012810ec7ce [0,2,0,0,0,0|2,0,0]=4 6742 B13R0.88 CCOC(=O)CNCCCCC(C)C 6b82839d529610ce38d67ede231966b8 [0,2,0,0,0,0|2,0,0]=4 6743 B13R0.88 CCOC(=O)CNCCCCC(C)O f8aed573a50a1c078422e9aae9db1a81 [0,2,0,0,0,0|2,0,0]=4 6744 B13R0.88 CCOC(=O)CNCCCC[C@@H](C)O 2894c1c2a01d8d1471ae3e9ecc66ea42 [0,2,0,0,0,0|2,0,0]=4 6745 B13R0.88 CCOC(=O)COCCCCC(=O)C 083a7699fbb1fe21295145dcaf6e45b7 [0,2,0,0,0,0|1,0,1]=4 6746 B13R0.88 CCOC(=O)COCCCCC(C)C 4f78732b69d00994c43317c604a27ef7 [0,2,0,0,0,0|1,0,0]=3 6747 B13R0.88 CCOC(=O)COCCCCN(C)C 8cb3e03e5dd47d61ea2ce549303b4f30 [0,2,0,0,0,0|2,0,0]=4 6748 B13R0.88 CCOC(=O)COCCCOC(C)C 0f8365bbd2ba5407b7355172597cae03 [0,2,0,0,0,0|2,0,0]=4 6749 B13R0.88 CCOC(=O)COCCCSC(C)C 97053ed44c02407a78e1f16e11bbb91f [0,2,0,0,0,0|2,0,0]=4 6750 B13R0.88 CCOC(=O)COCCOCC(C)C 6065160eb121d2c330b05871c8a11970 [0,2,0,0,0,0|2,0,0]=4 6751 B13R0.88 CCOC(=O)COCCOCC(C)F 3e6c14f47766ca329dcd7be88e83ee29 [0,2,0,0,0,0|2,0,0]=4 6752 B13R0.88 CCOC(=O)COCCOCC(C)S 268a6223d50c9d04c0cfeedfa07364e9 [0,2,0,0,0,0|2,0,0]=4 6753 B13R0.88 CCOC(=O)COCCOC[C@@H](C)F 112cf9bd0707e797652af98d81040ca5 [0,2,0,0,0,0|2,0,0]=4 6754 B13R0.88 CCOC(=O)COCCOC[C@H](C)F 7cadcfd437d724a3ab836b9a59f23b0e [0,2,0,0,0,0|2,0,0]=4 6755 B13R0.88 CCOC(=O)COCCSCC(C)C 0c6c85ebb72d9cf6622242fbd371516d [0,2,0,0,0,0|2,0,0]=4 6756 B13R0.88 CCOC(=O)OCNCCCC(C)C 2eb377fc9eaaaa3e8151da2e2bad0610 [0,2,0,0,0,0|1,0,0]=3 6757 B13R0.88 CCOC(=O)OCNCCCN(C)C 49b4b38ccef43ee9663f80c9d238d994 [0,2,0,0,0,0|2,0,0]=4 6758 B13R0.88 CCOC(=O)OCNCCCS(=O)C 6b7e9d922de3b47669d119de16e72bd3 [0,2,0,0,0,0|2,0,0]=4 6759 B13R0.88 CCOC(=O)OCNCCOC(C)C 30b4ab1ed23bccbcdac842b5a42be4eb [0,2,0,0,0,0|2,0,0]=4 6760 B13R0.88 CCOC(=O)OCOCCCC(=O)C b3efbbb3dcb048c2a07ed20c9eeb8a8b [0,2,0,0,0,0|1,0,1]=4 6761 B13R0.88 CCOC(=O)OCOCCCC(C)C ff6fba77e4b5b24ef924df2c4c963889 [0,2,0,0,0,0|1,0,0]=3 6762 B13R0.88 CCOC(=O)OCOCCCN(C)C f0b7c726c5b3ad9a3257b3af6c93eff9 [0,2,0,0,0,0|2,0,0]=4 6763 B13R0.88 CCOC(=O)OCOCCOC(C)C 0c3b43f10e690cc3d8ea6b6b91780b78 [0,2,0,0,0,0|2,0,0]=4 6764 B13R0.88 CCOC(=O)OCOCCSC(C)C 0df7cca2660668089ff614d7d40af5e4 [0,2,0,0,0,0|2,0,0]=4 6765 B13R0.88 CCSC(=O)OCNCCCC(C)C 5af573d0741d01b9ab9eaffe7d5ca96a [0,2,0,0,0,0|1,0,0]=3 6766 B13R0.88 CCSC(=O)OCNCCCN(C)C 1b7d5e4118a697fe78ed5a6fa181d201 [0,2,0,0,0,0|2,0,0]=4 6767 B13R0.88 CCSC(=O)OCNCCCS(=O)C e8da828fd74e32202b8c8c22a1fa053c [0,2,0,0,0,0|2,0,0]=4 6768 B13R0.88 CCSC(=O)OCNCCOC(C)C 135f33b10330c6ca98c14bb5d5cf9c92 [0,2,0,0,0,0|2,0,0]=4 6769 B13R0.88 CCSC(=O)OCOCCCC(=O)C d215233fc54fc9917fa2bc4064ba7866 [0,2,0,0,0,0|1,0,1]=4 6770 B13R0.88 CCSC(=O)OCOCCCC(C)C 3bdc89bfc84ab5e872ab12b551fe1362 [0,2,0,0,0,0|1,0,0]=3 6771 B13R0.88 CCSC(=O)OCOCCCN(C)C 2ab45ba993b9fabf8f48cd23ed88b744 [0,2,0,0,0,0|2,0,0]=4 6772 B13R0.88 CCSC(=O)OCOCCOC(C)C 159ab02066f3af0cc9af1ea031321e1b [0,2,0,0,0,0|2,0,0]=4 6773 B13R0.88 CCSC(=O)OCOCCSC(C)C 7dfa95ba34698b70fcf61614def95ab8 [0,2,0,0,0,0|2,0,0]=4 6774 B13R0.88 CN(C)CCCCCNC(=O)CCF 52fbd108b95593d1db0da3c132aeaf96 [0,2,0,0,0,0|2,0,0]=4 6775 B13R0.88 CN(C)CCCCCNC(=O)CCO f5dada81d02aa1a16f02c34040122d9b [0,2,0,0,0,0|2,0,0]=4 6776 B13R0.88 CN(C)CCCCCNC(=O)CCS 36336ee3355232cc5bbd11caf3c2a880 [0,2,0,0,0,0|2,0,0]=4 6777 B13R0.88 COCC(=O)COCCCCC(C)C 5ca3c0fd285f5c969062076db3b3c5b9 [0,2,0,0,0,0|1,0,0]=3 6778 B13R0.88 COCC(=O)COCCCSC(C)C db75fd3bf24633de863fdedee612842e [0,2,0,0,0,0|2,0,0]=4 6779 B13R0.88 COCC(=O)COCCOCC(C)C f23df81a06ca3a0cb1bdf2b00edd270e [0,2,0,0,0,0|2,0,0]=4 6780 B13R0.88 COCC(=O)COCCSCC(C)C 4f30b81302ce4f7739188a58b18cdfee [0,2,0,0,0,0|2,0,0]=4 6781 B13R0.88 COCC(=O)NCCCCCC(C)C 3f0394178858fd5b4111775f68851203 [0,2,0,0,0,0|2,0,0]=4 6782 B13R0.88 COCC(=O)NCCCCCN(C)C 1ade0c9c399b8a2b40c7e3c766e5905b [0,2,0,0,0,0|2,0,0]=4 6783 B13R0.88 COCC(=O)NCCCOCC(C)C d30307b0cc5894689a023e19f480d895 [0,2,0,0,0,0|2,0,0]=4 6784 B13R0.88 CSCC(=O)NCCCCCC(C)C 5797eb12ce0369c8c92d532feb0a5a3e [0,2,0,0,0,0|2,0,0]=4 6785 B13R0.88 CSCC(=O)NCCCCCN(C)C 2c687d66bda6e0f778551a59b4c6eca0 [0,2,0,0,0,0|2,0,0]=4 6786 B13R0.88 CSCC(=O)NCCCOCC(C)C 945c6fdfd3b7d866ea696c1d9687d8c8 [0,2,0,0,0,0|2,0,0]=4 6787 B13R0.175 C=CCCC(C)OCOC(=O)CCC 9cf8f7bc44cea5c277cff5872b59be4e [0,2,0,0,0,0|0,0,2]=4 6788 B13R0.175 C=CCC[C@@H](C)OCOC(=O)CCC 5cf9ffdcf0070d5153d0ff83ead36694 [0,2,0,0,0,0|0,0,2]=4 6789 B13R0.175 CCC#CC(C)OCOC(=O)CCC 3142311099fde990509fe2d6d4ab154b [0,2,0,0,0,0|0,0,2]=4 6790 B13R0.175 CCCC(=O)CNCC(O)COCC 31de992d74ecd1c423209a1aa483bf8c [0,2,0,0,0,0|2,0,0]=4 6791 B13R0.175 CCCC(=O)CNC[C@H](C)CCCO 61f49eece92f71386e7995821c5613c2 [0,2,0,0,0,0|2,0,0]=4 6792 B13R0.175 CCCC(=O)COCC(C)COCC bd359d0f43caff793af5d288ead5982e [0,2,0,0,0,0|1,0,0]=3 6793 B13R0.175 CCCC(C)COCC(=O)CCSC d71a23890321dfb300bb96c046a988a8 [0,2,0,0,0,0|2,0,0]=4 6794 B13R0.175 CCCC(O)CNCC(=O)CCSC e88fef25f041dac54272f1150c723ed9 [0,2,0,0,0,0|2,0,0]=4 6795 B13R0.175 CCCCC(=O)OCNC(C)CCC 13825af48c1bf7f906c7cdd14c523b9d [0,2,0,0,0,0|1,0,0]=3 6796 B13R0.175 CCCCC(=O)OCNC(C)CCO 6d273d6a49b0ffe208ae127090474be2 [0,2,0,0,0,0|2,0,0]=4 6797 B13R0.175 CCCCC(=O)OCNC(C)COC c422d5c6ac06f3219b7de63e7a46e126 [0,2,0,0,0,0|2,0,0]=4 6798 B13R0.175 CCCCC(=O)OCN[C@@H](C)CCC 5b1c1d21271472aab5d432b5d0790a48 [0,2,0,0,0,0|1,0,0]=3 6799 B13R0.175 CCCCC(=O)OCN[C@@H](C)CCO d660b3e92d50351a602b33d7717a9cc0 [0,2,0,0,0,0|2,0,0]=4 6800 B13R0.175 CCCCC(=O)OCN[C@@H](C)COC 30f438bd67c7d849c29ce2dd1a9f4745 [0,2,0,0,0,0|2,0,0]=4 6801 B13R0.175 CCCCC(=O)OCN[C@H](C)CCO 8a71574632c8cec665e4fc8b0a652c15 [0,2,0,0,0,0|2,0,0]=4 6802 B13R0.175 CCCCC(=O)OCN[C@H](C)COC 85fcdb300277e042318500eafdd96e2d [0,2,0,0,0,0|2,0,0]=4 6803 B13R0.175 CCCCC(=O)OCOC(=S)CCC 86fcf33a14adbf81018ff2333c63bfc2 [0,2,0,0,0,0|0,1,1]=4 6804 B13R0.175 CCCCC(=O)OCOC(C)CCC 9a06daa09398421d6a242a0dff7b0248 [0,2,0,0,0,0|1,0,0]=3 6805 B13R0.175 CCCCC(=O)OCOC(C)COC 50c52d315948d466c09710396ea38379 [0,2,0,0,0,0|2,0,0]=4 6806 B13R0.175 CCCCC(=O)OCOC(C)CSC 12e30dfa0a4855a80a4d46f363810f79 [0,2,0,0,0,0|2,0,0]=4 6807 B13R0.175 CCCCC(=O)OCO[C@@H](C)CCC b5b6a5a3ce9300ae9652e851bb75369b [0,2,0,0,0,0|1,0,0]=3 6808 B13R0.175 CCCCC(=O)OCO[C@@H](C)COC db9a7982d27ceaab156f66c72aac2e6f [0,2,0,0,0,0|2,0,0]=4 6809 B13R0.175 CCCCC(=O)OCO[C@H](C)CCC 9ce752bc87e7183e934728b96452c112 [0,2,0,0,0,0|1,0,0]=3 6810 B13R0.175 CCCCC(=O)OCO[C@H](C)COC f3689b022705a55ee8f1266a21f6db8c [0,2,0,0,0,0|2,0,0]=4 6811 B13R0.175 CCCCC(C)CCOC(C)CCC 9b7c59720ab46d51d19cbb8e1abf3079 [0,2,0,0,0,0|1,0,1]=4 6812 B13R0.175 CCCCC(C)COCC(=O)CCC 6266a8ccc6dcfe5ffee58e00dc0a1a28 [0,2,0,0,0,0|0,0,0]=2 6813 B13R0.175 CCCCC(C)COCC(=O)COC fbfb4e879f8f65a949d648b803389c67 [0,2,0,0,0,0|1,0,0]=3 6814 B13R0.175 CCCCC(C)COCC(=O)NCC 4ddc986de7a5b28dc180d5bd76633d6d [0,2,0,0,0,0|1,0,0]=3 6815 B13R0.175 CCCCC(C)COCC(=O)OCC 75aa47bb6a97ded20d192917bbb01247 [0,2,0,0,0,0|1,0,0]=3 6816 B13R0.175 CCCCC(C)COCC(C)CCC 25002718f0c635b9ff7df9a3dbe17e79 [0,2,0,0,0,0|1,0,1]=4 6817 B13R0.175 CCCCC(C)NCCC(=O)NCC 1d81eeae3450c0c5c454448df1eb391d [0,2,0,0,0,0|2,0,0]=4 6818 B13R0.175 CCCCC(C)NCCC(=O)OCC 28665391c27cecd5bd76e1a60f76918b [0,2,0,0,0,0|2,0,0]=4 6819 B13R0.175 CCCCC(C)NCOC(=O)SCC d65b299eeecc179f8e815f3b1d970b01 [0,2,0,0,0,0|1,0,0]=3 6820 B13R0.175 CCCCC(C)OCCC(=O)NCC b7450fe55bdee880ab4d653dd40d544f [0,2,0,0,0,0|2,0,0]=4 6821 B13R0.175 CCCCC(C)OCCC(=O)OCC 2867cb74ef09bee4afe3bbedf699a94b [0,2,0,0,0,0|2,0,0]=4 6822 B13R0.175 CCCCC(C)OCCC(C)CCC 35fb2026f5dc1f188a1d37755b3b472e [0,2,0,0,0,0|1,0,1]=4 6823 B13R0.175 CCCCC(C)OCCC(S)CCC 18ef6e0386ef72523871d3dd3d30a7d2 [0,2,0,0,0,0|1,0,1]=4 6824 B13R0.175 CCCCC(O)CNCC(=O)CCC be4cab7f8e891de6e542803871118a76 [0,2,0,0,0,0|1,0,0]=3 6825 B13R0.175 CCCCC(O)CNCC(=O)COC 615f52602f881b4d1024727a0bf48dd7 [0,2,0,0,0,0|2,0,0]=4 6826 B13R0.175 CCCCC(O)CNCC(=O)NCC 7d32d8872cc2446dd49395657069d608 [0,2,0,0,0,0|2,0,0]=4 6827 B13R0.175 CCCCC(O)CNCC(=O)OCC 284d91f9211cae3b09ae64af74a5c906 [0,2,0,0,0,0|2,0,0]=4 6828 B13R0.175 CCCCN(C)CCCC(=O)OCC 03f0f7a92b3d584bbc481c0e5d793d60 [0,2,0,0,0,0|2,0,0]=4 6829 B13R0.175 CCCCN(C)CCNC(=O)CCC 61e897d65f21df135ad1624b08af118d [0,2,0,0,0,0|1,0,0]=3 6830 B13R0.175 CCCCN(C)CCNC(=O)CCF fbcf3bf010859a5d34d2c573eb7393c4 [0,2,0,0,0,0|2,0,0]=4 6831 B13R0.175 CCCCN(C)CCNC(=O)CCO 90e806fbd02be17c7e50ccfba39c36ef [0,2,0,0,0,0|2,0,0]=4 6832 B13R0.175 CCCCN(C)CCNC(=O)CCS 86cc554ed57a45db8f514c0b770cbece [0,2,0,0,0,0|2,0,0]=4 6833 B13R0.175 CCCCN(C)CCNC(=O)COC a93805b2be0191a444355f9612a81298 [0,2,0,0,0,0|2,0,0]=4 6834 B13R0.175 CCCCN(C)CCNC(=O)CSC c0d9e6cbc0092825d7aacd2b991f9790 [0,2,0,0,0,0|2,0,0]=4 6835 B13R0.175 CCCC[C@@H](C)NCCC(=O)NCC 4e73f0139880ce5961f7ab0b3b265c57 [0,2,0,0,0,0|2,0,0]=4 6836 B13R0.175 CCCC[C@@H](C)NCCC(=O)OCC c6e760a52be9090345df32d7576a22b8 [0,2,0,0,0,0|2,0,0]=4 6837 B13R0.175 CCCC[C@@H](C)NCOC(=O)SCC 49bbe5933cb30a068ca4f60148493ef8 [0,2,0,0,0,0|1,0,0]=3 6838 B13R0.175 CCCC[C@@H](C)OCCC(=O)NCC 8d1a6b10e844a9a5824f823e36eafc14 [0,2,0,0,0,0|2,0,0]=4 6839 B13R0.175 CCCC[C@@H](C)OCCC(=O)OCC 94babc9227cd4dc5a0283fcb756a98b7 [0,2,0,0,0,0|2,0,0]=4 6840 B13R0.175 CCCC[C@H](C)OCCC(=O)NCC 40589988f97beaf73c01b782d2c6c51e [0,2,0,0,0,0|2,0,0]=4 6841 B13R0.175 CCCC[C@H](C)OCCC(=O)OCC ebeaadc6ad694501f67311e82928a6e0 [0,2,0,0,0,0|2,0,0]=4 6842 B13R0.175 CCCNC(=O)CCCC(=O)CCC 2349949e0e25bade89806744e9f9262e [0,2,0,0,0,0|1,0,1]=4 6843 B13R0.175 CCCNC(=O)CCCN(C)CCC 30d7d71bfb0263a7cff8b4f304a6b29e [0,2,0,0,0,0|2,0,0]=4 6844 B13R0.175 CCCNC(=O)CNCC(C)CCC 6f6ad6ca32c831b6319086991aa0f38b [0,2,0,0,0,0|2,0,0]=4 6845 B13R0.175 CCCNC(=O)CNCC(O)CCC a1aa2ce60ad45f99d0e4632eb4f0ced7 [0,2,0,0,0,0|2,0,0]=4 6846 B13R0.175 CCCNC(=O)COCC(C)CCC 7e87b49f6f34cb39a50c339278c9ec01 [0,2,0,0,0,0|2,0,0]=4 6847 B13R0.175 CCCOC(=O)CCOC(C)CCC 7a5c8170a113139bdb031333c77e114e [0,2,0,0,0,0|2,0,0]=4 6848 B13R0.175 CCCOC(=O)CNCC(O)CCC 16e05e75ddb95c2aa8087118131eb18b [0,2,0,0,0,0|2,0,0]=4 6849 B13R0.175 CCCOC(=O)COCC(C)CCC f583b7034f29ff7195a40cde0e6d66fa [0,2,0,0,0,0|2,0,0]=4 6850 B13R0.175 CCCOC(=O)OCNC(C)CCC 9cb153ef4526541d058b93dc9f3ccfc4 [0,2,0,0,0,0|1,0,0]=3 6851 B13R0.175 CCCOC(=O)OCNC(C)CCO c3e41c351fbebf347ffcaa91e51e1c0f [0,2,0,0,0,0|2,0,0]=4 6852 B13R0.175 CCCOC(=O)OCNC(C)COC b805414aa4fe55b3471aa826127bb888 [0,2,0,0,0,0|2,0,0]=4 6853 B13R0.175 CCCOC(=O)OCN[C@@H](C)CCC 4dc10a768a4d8484a0e7e024919fe1b0 [0,2,0,0,0,0|1,0,0]=3 6854 B13R0.175 CCCOC(=O)OCN[C@@H](C)CCO c011c7beba12a8fc864e2c457f3f63cc [0,2,0,0,0,0|2,0,0]=4 6855 B13R0.175 CCCOC(=O)OCN[C@@H](C)COC 05bf804e7f767d3c7eac21136c48120e [0,2,0,0,0,0|2,0,0]=4 6856 B13R0.175 CCCOC(=O)OCN[C@H](C)CCO 3f536f8ec925eb84aec500bcdbee8079 [0,2,0,0,0,0|2,0,0]=4 6857 B13R0.175 CCCOC(=O)OCN[C@H](C)COC 9175a60dc94f3be8225719ee36bfca49 [0,2,0,0,0,0|2,0,0]=4 6858 B13R0.175 CCCOC(=O)OCOC(=S)CCC f53219768f24a8239fb9e1d0d7b18ac6 [0,2,0,0,0,0|1,0,1]=4 6859 B13R0.175 CCCOC(=O)OCOC(C)CSC f5022c271e06617fcd6294206e11ca01 [0,2,0,0,0,0|2,0,0]=4 6860 B13R0.175 CCNC(=O)COCC(C)COCC 2ba6cc9ba0466aeb8e246232c87997a5 [0,2,0,0,0,0|2,0,0]=4 6861 B13R0.175 CCOCC(C)COCC(=O)OCC 1d371e53328167dddadaffc8c2f59ea7 [0,2,0,0,0,0|2,0,0]=4 6862 B13R0.175 CCSC(=O)OCNC(C)CCCO e2a734daa6f3d665cbdfece3f2bc3871 [0,2,0,0,0,0|2,0,0]=4 6863 B13R0.175 CCSC(=O)OCN[C@H](C)CCCO fbefc551a415165f77f0d973356b8fef [0,2,0,0,0,0|2,0,0]=4 6864 B13R0.175 CCSC(=O)OCOC(C)CCOC 684b19a5d8d415e746fab26704216bcc [0,2,0,0,0,0|2,0,0]=4 6865 B13R0.175 CCSC(=O)OCOC(C)CCSC 85b1640ab1d944d3890dd6acf0c94c54 [0,2,0,0,0,0|2,0,0]=4 6866 B13R0.193 C=CCCCN(C)COC(=O)CCC 4a29a8796662eee40fd02031c072798c [0,2,0,0,0,0|0,0,2]=4 6867 B13R0.193 C=CCCC[C@H](C)OCC(=O)CCC c9ba3eb4e17d46a00453287c82152896 [0,2,0,0,0,0|0,0,2]=4 6868 B13R0.193 CCCC(=O)OCN(C)CCCCO 39cf834b0b6782f0667974b9b5ac9021 [0,2,0,0,0,0|1,0,0]=3 6869 B13R0.193 CCCC(=O)OCN(C)CCCOC 5f785973468bc1861c08204b28bb5b67 [0,2,0,0,0,0|1,0,0]=3 6870 B13R0.193 CCCC(=O)OCN(C)CCOCC ca23aaf65d8c814e5bc4ed3ad145c620 [0,2,0,0,0,0|1,0,0]=3 6871 B13R0.193 CCCCCC(=O)COC(=S)CCC f0caee6b5dae5ccae33d7a1f9397effb [0,2,0,0,0,0|0,1,0]=3 6872 B13R0.193 CCCCCC(=O)COC(C)CCC 7393ef151a93e1266a2b2a7a4023e37a [0,2,0,0,0,0|1,0,1]=4 6873 B13R0.193 CCCCCC(=O)CO[C@@H](C)CCC db8450e4d06d014be9b04ee48d604ee2 [0,2,0,0,0,0|1,0,1]=4 6874 B13R0.193 CCCCCC(=O)CO[C@H](C)CCC 5be972e28e7546feb84994991d541c25 [0,2,0,0,0,0|1,0,1]=4 6875 B13R0.193 CCCCCC(C)COC(C)CCC cf65b1d8b6efa4e3dffeff02506c6120 [0,2,0,0,0,0|1,0,1]=4 6876 B13R0.193 CCCCCC(C)NCC(=O)CCC 4a8337a1b9b2346110da08b24363d275 [0,2,0,0,0,0|1,0,0]=3 6877 B13R0.193 CCCCCC(C)NCC(=O)COC 342269ec8313fd4e86195a54c331bbbd [0,2,0,0,0,0|2,0,0]=4 6878 B13R0.193 CCCCCC(C)NCC(=O)NCC 0617c7e2ad9814fa45edd53aca6b54ff [0,2,0,0,0,0|2,0,0]=4 6879 B13R0.193 CCCCCC(C)NCC(=O)OCC 8915589a430f620271906f5904ef46fa [0,2,0,0,0,0|2,0,0]=4 6880 B13R0.193 CCCCCC(C)OCC(=O)CCC 1255839d283a5a47da1b5a174be5bb52 [0,2,0,0,0,0|0,0,0]=2 6881 B13R0.193 CCCCCC(C)OCC(=O)COC 116dd64d6c4e02acc3dc06824eeb5f33 [0,2,0,0,0,0|1,0,0]=3 6882 B13R0.193 CCCCCC(C)OCC(=O)NCC f6d21cce8963ed430f342ebc05c6e46e [0,2,0,0,0,0|1,0,0]=3 6883 B13R0.193 CCCCCC(C)OCC(=O)OCC 358e541afbd48f2f3a8a8561e6de73e0 [0,2,0,0,0,0|1,0,0]=3 6884 B13R0.193 CCCCCC(C)OCC(C)CCC 7bcead912da9c790f79c740e8f5db166 [0,2,0,0,0,0|1,0,1]=4 6885 B13R0.193 CCCCCN(C)CCC(=O)NCC 21e0356454439de40a836e9fc33980ae [0,2,0,0,0,0|2,0,0]=4 6886 B13R0.193 CCCCCN(C)CCC(=O)OCC b8a2089b8f156512b7a5150630fbbc68 [0,2,0,0,0,0|2,0,0]=4 6887 B13R0.193 CCCCCN(C)COC(=O)CCC af2abf8ffe752699b271a4f45ce19a1d [0,2,0,0,0,0|0,0,0]=2 6888 B13R0.193 CCCCCN(C)COC(=O)SCC cd018a017a423f7f247e0fb90752f298 [0,2,0,0,0,0|1,0,0]=3 6889 B13R0.193 CCCCC[C@@H](C)OCC(=O)CCC f91fc00534395b9e9ac94a0a26d47655 [0,2,0,0,0,0|0,0,0]=2 6890 B13R0.193 CCCCC[C@@H](C)OCC(=O)COC ad1bbb4043941a55ee9b93e0bc6447f9 [0,2,0,0,0,0|1,0,0]=3 6891 B13R0.193 CCCCC[C@@H](C)OCC(=O)NCC 24821ed8f0398f4c61c29043dbd20a81 [0,2,0,0,0,0|1,0,0]=3 6892 B13R0.193 CCCCC[C@@H](C)OCC(=O)OCC cbd403afa48a5e3e81d4b218292d20f4 [0,2,0,0,0,0|1,0,0]=3 6893 B13R0.193 CCCCC[C@@H](C)OCC(C)CCC bb998a7a83ce91fc469df8617f647ebc [0,2,0,0,0,0|1,0,1]=4 6894 B13R0.193 CCCCC[C@H](C)NCC(=O)CCC 6c25fc6361a1167cef8f319efa27aa05 [0,2,0,0,0,0|1,0,0]=3 6895 B13R0.193 CCCCC[C@H](C)NCC(=O)COC 1c7a7a98fe8bda6c8e8c3e4b4a337f4f [0,2,0,0,0,0|2,0,0]=4 6896 B13R0.193 CCCCC[C@H](C)NCC(=O)NCC 8a0021f7d9f3a0f9843d01ed02e38692 [0,2,0,0,0,0|2,0,0]=4 6897 B13R0.193 CCCCC[C@H](C)NCC(=O)OCC 34130c13b516b6897ef288cd5672706a [0,2,0,0,0,0|2,0,0]=4 6898 B13R0.193 CCCCC[C@H](C)OCC(=O)CCC d6d666cd39c33c9c887025edc37b8cff [0,2,0,0,0,0|0,0,0]=2 6899 B13R0.193 CCCCC[C@H](C)OCC(=O)COC ab65f4658c79adfc5883b3fe546dc9a3 [0,2,0,0,0,0|1,0,0]=3 6900 B13R0.193 CCCCC[C@H](C)OCC(=O)NCC 667383ad5013696f4d903aa6bfb4a555 [0,2,0,0,0,0|1,0,0]=3 6901 B13R0.193 CCCCC[C@H](C)OCC(=O)OCC a2647bbaf42012fe4279b2c658bcf753 [0,2,0,0,0,0|1,0,0]=3 6902 B13R0.193 CCCCC[C@H](C)OCC(C)CCC 10615c61dabf436ad7e61065fac9325b [0,2,0,0,0,0|1,0,1]=4 6903 B13R0.193 CCCCNC(=O)CCC(=O)CCC 84d727f775cf15958273aff95a89b33c [0,2,0,0,0,0|1,0,1]=4 6904 B13R0.193 CCCCNC(=O)CNC(=O)CCC 771cb60ecca1f608de55e75cba90c318 [0,2,0,0,0,0|1,0,1]=4 6905 B13R0.193 CCCCNC(=O)COC(=S)CCC 0ce34d73551e4fbb97fcba8f5449c51c [0,2,0,0,0,0|0,1,1]=4 6906 B13R0.193 CCCCNC(C)CCC(=O)OCC 16a82102fa18b56c2a6917274593846f [0,2,0,0,0,0|2,0,0]=4 6907 B13R0.193 CCCCOC(=O)COC(=S)CCC 728ac7ec9583fe38fac9c826567274b6 [0,2,0,0,0,0|0,1,1]=4 6908 B13R0.193 CCCCOC(C)CCC(=O)OCC e1985cdcefc787c5ee6b60f42f5b5216 [0,2,0,0,0,0|2,0,0]=4 6909 B13R0.193 CCCOCC(C)OCC(=O)CCC dbe35521ccdc4c566ba3b1d18d89887c [0,2,0,0,0,0|1,0,0]=3 6910 B13R0.193 CCCOCC(C)OCC(=O)COC 4a293ca39aac755678d2f4cfc74bdc03 [0,2,0,0,0,0|2,0,0]=4 6911 B13R0.193 CCCOCC(C)OCC(=O)NCC 402dfa3e9bbf12e3a993211c01a64942 [0,2,0,0,0,0|2,0,0]=4 6912 B13R0.193 CCCOCC(C)OCC(=O)OCC 242553898a107646a780a609aeeaa4ff [0,2,0,0,0,0|2,0,0]=4 6913 B13R0.193 CCOC(=O)OCN(C)CCCOC d6cbd8107b0f58cbee8082ebe77b29a0 [0,2,0,0,0,0|2,0,0]=4 6914 B13R0.193 CCOCCN(C)COC(=O)OCC da98e9eeea8905bf12b05476839babec [0,2,0,0,0,0|2,0,0]=4 6915 B13R0.193 CCOCCN(C)COC(=O)SCC ad3327c8ba545999c1302c6b3d77aaf2 [0,2,0,0,0,0|2,0,0]=4 6916 B13R0.193 CCSC(=O)OCN(C)CCCCO 0471303647e0f4dbdbad9ecd04cdda79 [0,2,0,0,0,0|2,0,0]=4 6917 B13R0.193 CCSC(=O)OCN(C)CCCOC 1999afce15ad7df335c5c84981038ef8 [0,2,0,0,0,0|2,0,0]=4 6918 B13R0.275 C#CCC(O)C(=O)NCCCCCC 94ad7403236525ffba9265362580085b [0,2,0,0,0,0|1,0,1]=4 6919 B13R0.275 C=C(CCC)C(=O)NCCCCCC 535db4baf14af0cc8a2ade3eb066dc49 [0,2,0,0,0,0|1,0,0]=3 6920 B13R0.275 C=C(CCC)C(=O)NCCCCCCl 218be3fc82fac812cc7e75f3b78884ea [0,2,0,0,0,0|2,0,0]=4 6921 B13R0.275 C=C(CCC)C(=O)NCCCCCO 50f6a36834b623eb966f031138627712 [0,2,0,0,0,0|2,0,0]=4 6922 B13R0.275 C=C(CCC)C(=O)NCCCCOC 5275907a24a5ff1d03e4402704a0ab44 [0,2,0,0,0,0|2,0,0]=4 6923 B13R0.275 C=C(CCC)C(=O)NCCCCSC 0cb1d8841ea418d64d9099ad965f9888 [0,2,0,0,0,0|2,0,0]=4 6924 B13R0.275 C=C(CCC)C(=O)NCCCOCC 783006a662574de7032dd1a1ec61ae26 [0,2,0,0,0,0|2,0,0]=4 6925 B13R0.275 C=C(CCC)C(=O)NCCOCCC 746924a375197f84fa11718a2b7fdacb [0,2,0,0,0,0|2,0,0]=4 6926 B13R0.275 C=C(CNCCCCC)C(=O)OCC 5b221ef6ac93e5f9e27860e5aff0760f [0,2,0,0,0,0|2,0,0]=4 6927 B13R0.275 C=C(COC)C(=O)NCCCCCC 82836de359d87bd3d1f61e86f9a067bd [0,2,0,0,0,0|1,0,1]=4 6928 B13R0.275 C=C(COCCCCC)C(=O)OCC 3b9d67ab738080aa46141c875779ddae [0,2,0,0,0,0|2,0,0]=4 6929 B13R0.275 C=C(CSC)C(=O)NCCCCCC 30470d0d8f47a18d3ab30492995abe5b [0,2,0,0,0,0|1,0,1]=4 6930 B13R0.275 C=CCCCCCN(C)C(=O)CCC be9e70c7b31db71b8f37140b3f0c569c [0,2,0,0,0,0|1,0,1]=4 6931 B13R0.275 CC/C=C(\C)/C(=O)NCCCCCC bbeba053e70c811da2fe414ede4b3762 [0,2,0,0,0,0|1,0,1]=4 6932 B13R0.275 CC/C=C/CCOC(=O)C(C)OCC 7263f07c83ca3f60cf5fbd56d67d9e1c [0,2,0,0,0,0|0,0,2]=4 6933 B13R0.275 CC/C=C\CCOC(=O)C(C)OCC 100f433891a73fa9479a97609d211df6 [0,2,0,0,0,0|0,0,2]=4 6934 B13R0.275 CCC=C(C)C(=O)NCCCCCC 1754cbf07b4345562405d8de8c047863 [0,2,0,0,0,0|1,0,1]=4 6935 B13R0.275 CCC=CCCOC(=O)C(C)OCC e31b25270fbd379359eb0beec463d80c [0,2,0,0,0,0|0,0,2]=4 6936 B13R0.275 CCCC(=O)C(=O)NCCCCCCl d4e1dc1a780c6283ae193def93db0a93 [0,2,0,0,0,0|2,0,0]=4 6937 B13R0.275 CCCC(=O)C(=O)NCCCCCO fb27aa2b95e89f3c43595e851877f918 [0,2,0,0,0,0|2,0,0]=4 6938 B13R0.275 CCCC(=O)C(=O)NCCCCOC a405e85c949dd074a6613b8238c1a9af [0,2,0,0,0,0|2,0,0]=4 6939 B13R0.275 CCCC(=O)C(=O)NCCCCSC ca20340195422986c6d1c3f8aa4af824 [0,2,0,0,0,0|2,0,0]=4 6940 B13R0.275 CCCC(=O)C(=O)NCCCOCC 00f6c1626db819044173eb0081320f32 [0,2,0,0,0,0|2,0,0]=4 6941 B13R0.275 CCCC(=O)N(C)CCCCCCO 9b6c1f52adbc0cbdf3b5b42d0a44a900 [0,2,0,0,0,0|1,0,0]=3 6942 B13R0.275 CCCC(=O)N(C)CCOCCOC b86d1c16722680bfbd53ce635cf5dc7b [0,2,0,0,0,0|2,0,0]=4 6943 B13R0.275 CCCC(O)C(=O)NCCCCCCl 4b01b64c47bef2bd21a14ee0ef21914e [0,2,0,0,0,0|2,0,0]=4 6944 B13R0.275 CCCC(O)C(=O)NCCCCCO 92355acc0f52807174ece6c7b751cfc1 [0,2,0,0,0,0|2,0,0]=4 6945 B13R0.275 CCCC(O)C(=O)NCCCCOC 0ea43c011bcd7dd5a7b00420906ed011 [0,2,0,0,0,0|2,0,0]=4 6946 B13R0.275 CCCC(O)C(=O)NCCCCSC c5635d1bdc46a5322d18181d3ed3e8bc [0,2,0,0,0,0|2,0,0]=4 6947 B13R0.275 CCCC(O)C(=O)NCCCOCC 7c3c9f3ef2d1e71d9e4a78a097feab55 [0,2,0,0,0,0|2,0,0]=4 6948 B13R0.275 CCCCC/C=C/C(=O)N(C)CCC 479515f40ba96a762d27e120a0907f78 [0,2,0,0,0,0|1,0,1]=4 6949 B13R0.275 CCCCCC#CC(=O)N(C)CCC 4405893208007ba4371c85d1a27d136a [0,2,0,0,0,0|1,0,1]=4 6950 B13R0.275 CCCCCCCC(=O)N(C)CCC baa6930ed380d066f264743f1d23262f [0,2,0,0,0,0|1,0,0]=3 6951 B13R0.275 CCCCCCCC(=O)N(C)CCF c5fde8b47673faf2c2b70cd3487aaa7a [0,2,0,0,0,0|2,0,0]=4 6952 B13R0.275 CCCCCCCC(=O)N(C)CCO b43b92a81952cfa89daa10d9dc1e067d [0,2,0,0,0,0|2,0,0]=4 6953 B13R0.275 CCCCCCCN(C)C(=O)CCC 8b4b728784326dfad76afa7b53bf7613 [0,2,0,0,0,0|1,0,0]=3 6954 B13R0.275 CCCCCCCN(C)C(=O)CCF b32b1c3890e3a349306407ca84d4d004 [0,2,0,0,0,0|2,0,0]=4 6955 B13R0.275 CCCCCCCN(C)C(=O)CCO a696d719ff95c16ff8f0d4fc1d53f556 [0,2,0,0,0,0|2,0,0]=4 6956 B13R0.275 CCCCCCCN(C)C(=O)CCS d19bd69dc03fd5241c3fa47c8911c9b3 [0,2,0,0,0,0|2,0,0]=4 6957 B13R0.275 CCCCCCCN(C)C(=O)COC 70a591dad6f19652cf272e28e9b9cc20 [0,2,0,0,0,0|2,0,0]=4 6958 B13R0.275 CCCCCCCN(C)C(=O)CSC 5d656feba1f0c82387858939f4db264b [0,2,0,0,0,0|2,0,0]=4 6959 B13R0.275 CCCCCCNC(=O)C(=O)CCC 480fd9f86b13317b17b243cc8665c935 [0,2,0,0,0,0|1,0,0]=3 6960 B13R0.275 CCCCCCNC(=O)C(=O)NCC 8b4fedcab32ca26bcf08aa5272c47941 [0,2,0,0,0,0|1,0,1]=4 6961 B13R0.275 CCCCCCNC(=O)C(=O)OCC 1fe1fa97555c777427f9ce047a2a563d [0,2,0,0,0,0|1,0,1]=4 6962 B13R0.275 CCCCCCNC(=O)C(C)OCC 288f1d34e2abe3c8543ace74ae030d1d [0,2,0,0,0,0|1,0,0]=3 6963 B13R0.275 CCCCCCNC(=O)C(C)SCC 3ba432a8b96acea074d169f4eacf6a0b [0,2,0,0,0,0|1,0,0]=3 6964 B13R0.275 CCCCCCNC(=O)C(O)CCC 63d90f243924b800f8a0f0bd7626a9e2 [0,2,0,0,0,0|1,0,0]=3 6965 B13R0.275 CCCCCCNC(=O)C(O)CSC 333716738942960b206cb20f6b2fa003 [0,2,0,0,0,0|1,0,0]=3 6966 B13R0.275 CCCCCCNC(=O)N(C)CCC cdf6f43ac8c835dd096bbd18d56444b9 [0,2,0,0,0,0|1,0,0]=3 6967 B13R0.275 CCCCCCNC(=O)N(C)CCF 2c23a1297389a085d784c33698419af9 [0,2,0,0,0,0|2,0,0]=4 6968 B13R0.275 CCCCCCNC(=O)N(C)CCO c44b4d109c7693ea0d68313c3bb5d01e [0,2,0,0,0,0|2,0,0]=4 6969 B13R0.275 CCCCCCNC(=O)[C@@H](O)CCC 68cb61a9152ea765aae1773a057b57bd [0,2,0,0,0,0|1,0,0]=3 6970 B13R0.275 CCCCCCNC(=O)[C@H](C)NOC f4ff2f0a45497bbe36a0dc4c51b3d130 [0,2,0,0,0,0|2,0,0]=4 6971 B13R0.275 CCCCCCNC(=O)[C@H](O)CCC 069b3d21fe51164275e2a74e58997239 [0,2,0,0,0,0|1,0,0]=3 6972 B13R0.275 CCCCCCNC(=S)N(C)CCC c6fd15db39f577bb4c22c9545e401e9f [0,2,0,0,0,0|1,1,0]=4 6973 B13R0.275 CCCCCCNC(C)C(=O)NCC 4669d07fe2858bbede72e5c66cb1ab96 [0,2,0,0,0,0|2,0,0]=4 6974 B13R0.275 CCCCCCNC(C)C(=O)OCC 0d8b1b650a5822e5bb867da89fa93e5f [0,2,0,0,0,0|2,0,0]=4 6975 B13R0.275 CCCCCCNC(F)C(=O)OCC 68b6b8f8ac9fe2f92d0c154051be8aa5 [0,2,0,0,0,0|2,0,0]=4 6976 B13R0.275 CCCCCCN[C@@H](C)C(=O)NCC dfece5d1db80d6d4a7707fde24518c96 [0,2,0,0,0,0|2,0,0]=4 6977 B13R0.275 CCCCCCN[C@@H](C)C(=O)OCC e340a26cfbcb914c9225cb86d37994ca [0,2,0,0,0,0|2,0,0]=4 6978 B13R0.275 CCCCCCN[C@H](C)C(=O)OCC ac7a042837f608aaa1fef350ecf616c4 [0,2,0,0,0,0|2,0,0]=4 6979 B13R0.275 CCCCCCOC(C)C(=O)NCC 5a7f85f92fc04adef2c21b20b7ef3f58 [0,2,0,0,0,0|1,0,0]=3 6980 B13R0.275 CCCCCCOC(C)C(=O)OCC d0d9adaea64398cc0452c6c7c6e02f3e [0,2,0,0,0,0|1,0,0]=3 6981 B13R0.275 CCCCCCOC(F)C(=O)OCC deb622ffa08f5c8c7fdd012005341c47 [0,2,0,0,0,0|1,0,0]=3 6982 B13R0.275 CCCCCCO[C@@H](C)C(=O)OCC 1089dbbcb1cbaed2dbe7b198063d2af9 [0,2,0,0,0,0|1,0,0]=3 6983 B13R0.275 CCCCCCO[C@H](C)C(=O)OCC 8797a500078b53d61babad3e4f0bd1f9 [0,2,0,0,0,0|1,0,0]=3 6984 B13R0.275 CCCCCNCC(C)C(=O)OCC 31b585a7a55e66b5f360fff4208fcbae [0,2,0,0,0,0|2,0,0]=4 6985 B13R0.275 CCCCCNCC(O)C(=O)OCC f2233de812dc3f1b49aee2309735db78 [0,2,0,0,0,0|2,0,0]=4 6986 B13R0.275 CCCCCOCC(C)C(=O)OCC 36169d1d25c29be8c8eb6a63fa42a4cf [0,2,0,0,0,0|2,0,0]=4 6987 B13R0.275 CCCCOCCC(=O)N(C)CCC 487c0e161a2cf116f0ff1bc6b889cf2f [0,2,0,0,0,0|2,0,0]=4 6988 B13R0.275 CCCCOCOC(C)C(=O)OCC f78c43f80fcaf45080ee3192d848030d [0,2,0,0,0,0|2,0,0]=4 6989 B13R0.275 CCCCOCO[C@@H](C)C(=O)OCC ea7623c0f2d8fee670e08aecd2c74077 [0,2,0,0,0,0|2,0,0]=4 6990 B13R0.275 CCCCOCO[C@H](C)C(=O)OCC 2e69ec9271a52de0715455b35eab2c15 [0,2,0,0,0,0|2,0,0]=4 6991 B13R0.275 CCCN(C)C(=O)CCCCCCF c74985e9a5443c50cf6f61704c996796 [0,2,0,0,0,0|2,0,0]=4 6992 B13R0.275 CCCN(C)C(=O)CCCCCCO 51f0eabe3af853e32b87a69cf5c99a4a [0,2,0,0,0,0|2,0,0]=4 6993 B13R0.275 CCCN(C)C(=O)CCCCCCS 63ba6f099ded364816a5776a61fa1b91 [0,2,0,0,0,0|2,0,0]=4 6994 B13R0.275 CCCN(C)C(=O)CCCCCOC 4e2dbb7f52f9db4a30af38f0b74b8691 [0,2,0,0,0,0|2,0,0]=4 6995 B13R0.275 CCCN(C)C(=O)CCCCOCC 3ddd9bb5555c592ddb581fda4d2e8f97 [0,2,0,0,0,0|2,0,0]=4 6996 B13R0.275 CCCN(C)C(=O)NCCCCCN 8540cb38536cb0c948b9801a9227fa4a [0,2,0,0,0,0|2,0,0]=4 6997 B13R0.275 CCCN(C)C(=O)NCCCCCO bfcd6151ab30f7dc5f3b96588702c56f [0,2,0,0,0,0|2,0,0]=4 6998 B13R0.275 CCCN(C)C(=O)NCCCCOC df979020653068cc07af814fd69a9869 [0,2,0,0,0,0|2,0,0]=4 6999 B13R0.275 CCCN(C)C(=O)NCCCCSC 23e5321d8300bb864882ca76d6f44239 [0,2,0,0,0,0|2,0,0]=4 7000 B13R0.275 CCCN(C)C(=O)NCCCOCC 1683e94ae97ba4a0a1a1c932adcecf80 [0,2,0,0,0,0|2,0,0]=4 7001 B13R0.275 CCCOCCNC(=O)C(=O)CCC bc80b701cbb7c114b2c39894c27f1de3 [0,2,0,0,0,0|2,0,0]=4 7002 B13R0.275 CCCOCCNC(=O)C(C)OCC 0d1a8fc0a13c21f4025ad92e701a73b9 [0,2,0,0,0,0|2,0,0]=4 7003 B13R0.275 CCCOCCNC(=O)C(C)SCC a7bb92d1d753902ae4e29b5725f52144 [0,2,0,0,0,0|2,0,0]=4 7004 B13R0.275 CCCOCCNC(=O)C(O)CCC 2fd2e537d331144747894bafc88f46b3 [0,2,0,0,0,0|2,0,0]=4 7005 B13R0.275 CCCOCCNC(=O)C(O)CSC 069b636541dda1ddea4729878748ebcc [0,2,0,0,0,0|2,0,0]=4 7006 B13R0.275 CCCOCCNC(=O)N(C)CCC 65868afa57bdf28d299d7db895bf69d0 [0,2,0,0,0,0|2,0,0]=4 7007 B13R0.275 CCCOCCNC(=O)[C@@H](O)CCC 193558b8fddacfbbdab11fd09a3e2654 [0,2,0,0,0,0|2,0,0]=4 7008 B13R0.275 CCCOCCNC(=O)[C@H](O)CCC 4716253b0d32a60ae12ccdd34b8fd937 [0,2,0,0,0,0|2,0,0]=4 7009 B13R0.275 CCCOCCOC(C)C(=O)NCC 728af0fdd480be285c74579186d62446 [0,2,0,0,0,0|2,0,0]=4 7010 B13R0.275 CCCOCCOC(C)C(=O)OCC c0deae92ed922ff2e425a30b7bbb8911 [0,2,0,0,0,0|2,0,0]=4 7011 B13R0.275 CCCOCCOC(F)C(=O)OCC b78e8f79824b28b0f8c4c7e839c806c0 [0,2,0,0,0,0|2,0,0]=4 7012 B13R0.275 CCCOCCO[C@@H](C)C(=O)OCC cc4379396d0490b8d260724d96e32c02 [0,2,0,0,0,0|2,0,0]=4 7013 B13R0.275 CCCOCCO[C@H](C)C(=O)OCC 88669078f2b195c5236617e784ff6650 [0,2,0,0,0,0|2,0,0]=4 7014 B13R0.275 CCCSCCOC(C)C(=O)NCC 884865125838cffa25da86d93d317777 [0,2,0,0,0,0|2,0,0]=4 7015 B13R0.275 CCCSCCOC(C)C(=O)OCC 3558bcdceb298bd757be87df4c582da9 [0,2,0,0,0,0|2,0,0]=4 7016 B13R0.275 CCCSCCOC(F)C(=O)OCC a29da70d89f9882430da1e41a7ea5e76 [0,2,0,0,0,0|2,0,0]=4 7017 B13R0.275 CCCSCCO[C@@H](C)C(=O)OCC ebf84e6c5847bd8c7e7abea2e367cd6f [0,2,0,0,0,0|2,0,0]=4 7018 B13R0.275 CCCSCCO[C@H](C)C(=O)OCC 3c36c77011d095cdec4e842ddefb7eb9 [0,2,0,0,0,0|2,0,0]=4 7019 B13R0.275 CCC[C@@H](O)C(=O)NCCCCCCl 434f1f5e1bb9edcd0980f62e1f9c2c78 [0,2,0,0,0,0|2,0,0]=4 7020 B13R0.275 CCC[C@@H](O)C(=O)NCCCCCO 6905b26be14c7751d6e96f633d8d8b50 [0,2,0,0,0,0|2,0,0]=4 7021 B13R0.275 CCC[C@@H](O)C(=O)NCCCCOC 5378449fb8299f14a6b7a3078bf2d16f [0,2,0,0,0,0|2,0,0]=4 7022 B13R0.275 CCC[C@@H](O)C(=O)NCCCCSC 194b5c1fc8c57cfbc7241625c764fcc5 [0,2,0,0,0,0|2,0,0]=4 7023 B13R0.275 CCC[C@@H](O)C(=O)NCCCOCC 7ec08f27048fdef3456af4444932dfe8 [0,2,0,0,0,0|2,0,0]=4 7024 B13R0.275 CCC[C@H](O)C(=O)NCCCCCCl 8701f67abf29eba15e0c5057dcdc5d20 [0,2,0,0,0,0|2,0,0]=4 7025 B13R0.275 CCC[C@H](O)C(=O)NCCCCCO c6163d9deb2642e83272a56e4f8c767f [0,2,0,0,0,0|2,0,0]=4 7026 B13R0.275 CCC[C@H](O)C(=O)NCCCCOC 10af01b6ed5ed42a14448759d8900a5f [0,2,0,0,0,0|2,0,0]=4 7027 B13R0.275 CCC[C@H](O)C(=O)NCCCCSC 82c1a3d01ac9ef0e7c757af27e0279c1 [0,2,0,0,0,0|2,0,0]=4 7028 B13R0.275 CCC[C@H](O)C(=O)NCCCOCC 6291b4c5bdb5c7c4bc5b1eaf672cf30f [0,2,0,0,0,0|2,0,0]=4 7029 B13R0.275 CCNC(=O)C(C)OCCCCOC 81a02bfed64965a6c06483388a62ac3b [0,2,0,0,0,0|2,0,0]=4 7030 B13R0.275 CCNC(=O)C(C)OCCCCSC 36aab7695d60b19723af734f659ee2c9 [0,2,0,0,0,0|2,0,0]=4 7031 B13R0.275 CCNC(=O)C(C)OCCCOCC c3aaaec11ad10d0b7ea78cf98bfc1c24 [0,2,0,0,0,0|2,0,0]=4 7032 B13R0.275 CCNC(=O)C(C)OCCCSCC c3c9e328f79465cee202fcbdd5f0a609 [0,2,0,0,0,0|2,0,0]=4 7033 B13R0.275 CCOC(=O)C(C)OCCCCCF 5b3a4569330ea52533dffa6610d01585 [0,2,0,0,0,0|2,0,0]=4 7034 B13R0.275 CCOC(=O)C(C)OCCCCOC f183ff32180ba7d0a5f451a13fdc0bf6 [0,2,0,0,0,0|2,0,0]=4 7035 B13R0.275 CCOC(=O)C(C)OCCCCSC 51e6aa4b882a211556803bc0d09cfc9e [0,2,0,0,0,0|2,0,0]=4 7036 B13R0.275 CCOC(=O)C(C)OCCCSCC 936656c0dbd6ff229c8efbf00cef472a [0,2,0,0,0,0|2,0,0]=4 7037 B13R0.275 CCOC(=O)C(F)OCCCCOC af133e2ec25ad9058a58f9367b9136da [0,2,0,0,0,0|2,0,0]=4 7038 B13R0.275 CCOC(=O)C(F)OCCCCSC 49ea94009f22f83640ff6bfff4ef7d94 [0,2,0,0,0,0|2,0,0]=4 7039 B13R0.275 CCOC(=O)C(F)OCCCSCC d85e89aa2b314909b77505ea6a4419bd [0,2,0,0,0,0|2,0,0]=4 7040 B13R0.275 CCOC(=O)[C@@H](C)OCCCCCF 400e10b12c5d7b1e944e5061344c7344 [0,2,0,0,0,0|2,0,0]=4 7041 B13R0.275 CCOC(=O)[C@@H](C)OCCCCOC 47aef3de97299200eae328ec5d2796a6 [0,2,0,0,0,0|2,0,0]=4 7042 B13R0.275 CCOC(=O)[C@@H](C)OCCCCSC 0f7dbaf842a30d4cfc10ac9c54de6006 [0,2,0,0,0,0|2,0,0]=4 7043 B13R0.275 CCOC(=O)[C@@H](C)OCCCSCC c04d8c4502b26b57f9d6b184eb5f39a9 [0,2,0,0,0,0|2,0,0]=4 7044 B13R0.275 CCOC(=O)[C@H](C)OCCCCCF 7586d827b51a2208e878d6be1ca02e82 [0,2,0,0,0,0|2,0,0]=4 7045 B13R0.275 CCOC(=O)[C@H](C)OCCCCOC 758d34fdd1e7afa88e3835bf70094ff7 [0,2,0,0,0,0|2,0,0]=4 7046 B13R0.275 CCOC(=O)[C@H](C)OCCCCSC ce5e5889ad359d7623e9aceac87b7565 [0,2,0,0,0,0|2,0,0]=4 7047 B13R0.275 CCOC(=O)[C@H](C)OCCCSCC 87ac08c5abb4024191aff5d4d0b44eb3 [0,2,0,0,0,0|2,0,0]=4 7048 B13R0.275 CCOC(C)C(=O)NCCCCCCl 0686f743dd801596e0cdb2e75ac3bd4d [0,2,0,0,0,0|2,0,0]=4 7049 B13R0.275 CCOC(C)C(=O)NCCCCCO 72e6455e1d71cdaf81ef02e265bda8a8 [0,2,0,0,0,0|2,0,0]=4 7050 B13R0.275 CCOC(C)C(=O)NCCCCOC a49d15114f3dffd30ecf7348659476ba [0,2,0,0,0,0|2,0,0]=4 7051 B13R0.275 CCOC(C)C(=O)NCCCCSC f3753c37cec8d9d1d55ebe648a30ac5b [0,2,0,0,0,0|2,0,0]=4 7052 B13R0.275 CCOCCCNC(=O)C(C)OCC 9fb98a9a24d145c1b9031be2511cc6e8 [0,2,0,0,0,0|2,0,0]=4 7053 B13R0.275 CCOCCCNC(=O)C(C)SCC 43f95735b75aea110300a302fa474af7 [0,2,0,0,0,0|2,0,0]=4 7054 B13R0.275 CCOCCCNC(=O)C(O)CSC 25a301119d33c2d72230d08c2b62f69f [0,2,0,0,0,0|2,0,0]=4 7055 B13R0.275 CCOCCCOC(C)C(=O)OCC c44d21db350879feb73e1e7b7806eb82 [0,2,0,0,0,0|2,0,0]=4 7056 B13R0.275 CCOCCCOC(F)C(=O)OCC d255b6e70e65a39c5f55f240df2b26b6 [0,2,0,0,0,0|2,0,0]=4 7057 B13R0.275 CCOCCCO[C@@H](C)C(=O)OCC 0de324c1210fddfb0f69c7578b14a1e1 [0,2,0,0,0,0|2,0,0]=4 7058 B13R0.275 CCOCCCO[C@H](C)C(=O)OCC 466ed61af1688b828845a36cbb6cb6b4 [0,2,0,0,0,0|2,0,0]=4 7059 B13R0.275 CCSC(C)C(=O)NCCCCCCl 878dcf374b0aba73a5666040feb627fd [0,2,0,0,0,0|2,0,0]=4 7060 B13R0.275 CCSC(C)C(=O)NCCCCCO 0c242d8df4277d10a333a9e819b2d3aa [0,2,0,0,0,0|2,0,0]=4 7061 B13R0.275 CCSC(C)C(=O)NCCCCOC d8be565a42bc205875e3e64f55345a15 [0,2,0,0,0,0|2,0,0]=4 7062 B13R0.275 CCSC(C)C(=O)NCCCCSC 79c715d46b42cf96942e13e6049b7b8e [0,2,0,0,0,0|2,0,0]=4 7063 B13R0.275 CN(CCCCCCO)C(=O)CCF 6c1ab86ae748b8bc89bd1430b053a914 [0,2,0,0,0,0|2,0,0]=4 7064 B13R0.275 CN(CCCCCCO)C(=O)CCO c257eb6a98e31ec88c1b9f84c376f19c [0,2,0,0,0,0|2,0,0]=4 7065 B13R0.275 CN(CCCCCCO)C(=O)CCS b8455c408f065323a33d4821032385ea [0,2,0,0,0,0|2,0,0]=4 7066 B13R0.275 COCC(=O)N(C)CCCCCCO 43495442ccfc05abc325fdd3ce0aaddf [0,2,0,0,0,0|2,0,0]=4 7067 B13R0.275 COCCCCNC(=O)C(O)CSC bcd2d7438e2814df5549cbd204581701 [0,2,0,0,0,0|2,0,0]=4 7068 B13R0.275 CSCC(=O)N(C)CCCCCCO 31788c9c70079492adb53cc1d32a39b8 [0,2,0,0,0,0|2,0,0]=4 7069 B13R0.275 CSCC(O)C(=O)NCCCCCCl 74c634deda92fbef0fd5e9f590bd3bc8 [0,2,0,0,0,0|2,0,0]=4 7070 B13R0.275 CSCC(O)C(=O)NCCCCCO 8673164345d4d0b89373f0e7d8f4acce [0,2,0,0,0,0|2,0,0]=4 7071 B13R0.275 CSCCCCNC(=O)C(O)CSC 5fca7f6df031fffe5697027bc1090f7e [0,2,0,0,0,0|2,0,0]=4 7072 B13R0.282 C#CC(CCC)OCCCCCCC bed46cd2570058329221a6add7d2c02d [0,2,0,0,0,0|1,0,1]=4 7073 B13R0.282 C#CC(CCC)OCCCCCCF 0cd5dc79499fcdb053dfc7d09d1ce4b9 [0,2,0,0,0,0|1,0,1]=4 7074 B13R0.282 C#CC(CCC)OCCCCCOC 86928af11db37ba885413412a225aed2 [0,2,0,0,0,0|1,0,1]=4 7075 B13R0.282 C#CC(CCC)OCCCOCCC dfbf2f61f70c6f3c0a892e6038c373e5 [0,2,0,0,0,0|1,0,1]=4 7076 B13R0.282 C#CC(CCC)OCCOCCCC f3d1ed193b04e41e481c1a57eb292dbf [0,2,0,0,0,0|1,0,1]=4 7077 B13R0.282 C=CC(CCC)OCCCCCCC 116ddea1cc394f134dfae615c15735b5 [0,2,0,0,0,0|1,0,1]=4 7078 B13R0.282 C=CC(CCC)OCCCCCCF 21e9fcc6ec4555786571040fb2d716fc [0,2,0,0,0,0|1,0,1]=4 7079 B13R0.282 C=CC(CCC)OCCCCCOC 88e2773e9e25c6f146d9c600a411274a [0,2,0,0,0,0|1,0,1]=4 7080 B13R0.282 C=CC(CCC)OCCCOCCC 78fc43dff5341b5e1a817f3337c8381c [0,2,0,0,0,0|1,0,1]=4 7081 B13R0.282 C=CC(CCC)OCCOCCCC 88bfdf148cd4c243f1a129a32413d09c [0,2,0,0,0,0|1,0,1]=4 7082 B13R0.282 CCCC(C#N)OCCCCCCF e7abf37900b8b622db2ee388e061363b [0,2,0,0,0,0|1,0,1]=4 7083 B13R0.282 CCCC(C#N)OCCCCCOC 1901d9f9bbf6bf638079230be8af3104 [0,2,0,0,0,0|1,0,1]=4 7084 B13R0.282 CCCC(CC)OCCCCCCF 6b2c409a8c19082b6c95b50aa5bb2e6b [0,2,0,0,0,0|1,0,1]=4 7085 B13R0.282 CCCC(CC)OCCCCCCS fe13a4123af08bf3b446c039852482c7 [0,2,0,0,0,0|1,0,1]=4 7086 B13R0.282 CCCC(CC)OCCCCCOC f6bec56d6fc0eb745e17664a90d1fab6 [0,2,0,0,0,0|1,0,1]=4 7087 B13R0.282 CCCCCCCCN(C=O)CCC 3f4a941b5cdf4088474e62a037d59019 [0,2,0,0,0,0|2,0,0]=4 7088 B13R0.282 CCCCCCCOC(C#N)CCC abaec201778ab8e2af8a0b7bedf82064 [0,2,0,0,0,0|1,0,1]=4 7089 B13R0.282 CCCCCCCOC(CC)CCC 19469ff5a7d6f9c9cdd9c52ddf00ab89 [0,2,0,0,0,0|1,0,1]=4 7090 B13R0.282 CCCCCCCO[C@H](CC)CCC 6a698edad906014528d26658c357433c [0,2,0,0,0,0|1,0,1]=4 7091 B13R0.282 CCCCCCOCC(CC)CCC 66a4da7a19597934202a4037aaa446ce [0,2,0,0,0,0|1,0,1]=4 7092 B13R0.282 CCCCOCCOC(C#N)CCC 6e90aa5468c61ff2829418ff032aef79 [0,2,0,0,0,0|1,0,1]=4 7093 B13R0.282 CCCCOCCOC(CC)CCC 553116b0f077d28eba7d5e021253e332 [0,2,0,0,0,0|1,0,1]=4 7094 B13R0.282 CCCCOCCO[C@H](CC)CCC 225f9f46191691b2c5a13c0e905f869f [0,2,0,0,0,0|1,0,1]=4 7095 B13R0.282 CCCCSCCOC(CC)CCC 80e05c79baf52d272732ae8b880eef67 [0,2,0,0,0,0|1,0,1]=4 7096 B13R0.282 CCCOCCCOC(C#N)CCC 245c8b506aef9079bb19a4cb2f621d2e [0,2,0,0,0,0|1,0,1]=4 7097 B13R0.282 CCCOCCCOC(CC)CCC 63dca506e44d9dc0ac0de05acc0809e7 [0,2,0,0,0,0|1,0,1]=4 7098 B13R0.282 CCCOCCCO[C@H](CC)CCC 98804ba8861a74c1612a61fd213c3a7a [0,2,0,0,0,0|1,0,1]=4 7099 B13R0.282 CCC[C@@H](CC)OCCCCCCF 7c21a7b5a7ce2c40f070a46837a38fe6 [0,2,0,0,0,0|1,0,1]=4 7100 B13R0.282 CCC[C@@H](CC)OCCCCCOC 27209f3b66c47969c2743dc43f2797f7 [0,2,0,0,0,0|1,0,1]=4 7101 B13R0.330 CCCC(=O)CN(C)CCCCCO 354dcfe729d8fd1226256f8ce053ec02 [0,2,0,0,0,0|2,0,0]=4 7102 B13R0.330 CCCC(=O)CN(C)CCCCOC 7e61d162b8b9952aa7ee4827ed23ef0e [0,2,0,0,0,0|2,0,0]=4 7103 B13R0.330 CCCCCCC(C)NC(=O)CCC abcbc96f8428d18ff3cb05539f65fa82 [0,2,0,0,0,0|1,0,0]=3 7104 B13R0.330 CCCCCCC(C)NC(=O)CCF 062a055b7490203aad8796f4441ca7a9 [0,2,0,0,0,0|2,0,0]=4 7105 B13R0.330 CCCCCCC(C)NC(=O)CCO b1a6a6a6209e62fb860449064f940e9b [0,2,0,0,0,0|2,0,0]=4 7106 B13R0.330 CCCCCCC(C)NC(=O)CCS 23c1006c92330294b0b444e8a3bd7dbc [0,2,0,0,0,0|2,0,0]=4 7107 B13R0.330 CCCCCCC(C)NC(=O)COC 0a5520280d3346f5701b1871eab84e48 [0,2,0,0,0,0|2,0,0]=4 7108 B13R0.330 CCCCCCC(C)NC(=O)CSC 4c9d5fb1c71a1c7ef2438459e8af57c2 [0,2,0,0,0,0|2,0,0]=4 7109 B13R0.330 CCCCCCC(C)OC(=S)CCC b4bf17d5f1d7ce9546c8ebcb2a7af606 [0,2,0,0,0,0|0,1,0]=3 7110 B13R0.330 CCCCCCC(C)OC(C)CCC 967e78a85ee6863bf08870a7b8a0b063 [0,2,0,0,0,0|1,0,1]=4 7111 B13R0.330 CCCCCCC(C)O[C@@H](C)CCC 680f1fbd094592ebe9e70aef82ae2a0f [0,2,0,0,0,0|1,0,1]=4 7112 B13R0.330 CCCCCCC(C)O[C@H](C)CCC cbcf87bde8fd4c8570a1a7baf7c54a0b [0,2,0,0,0,0|1,0,1]=4 7113 B13R0.330 CCCCCCN(C)CC(=O)CCC 1f0418364bd3aec5aaf2dd469595c9aa [0,2,0,0,0,0|1,0,0]=3 7114 B13R0.330 CCCCCCN(C)CC(=O)COC a922da48bd0007ac169dc3321b539ec1 [0,2,0,0,0,0|2,0,0]=4 7115 B13R0.330 CCCCCCN(C)CC(=O)NCC 72c0a76bd0df33444f8a9cd8eecfaa32 [0,2,0,0,0,0|2,0,0]=4 7116 B13R0.330 CCCCCCN(C)CC(=O)OCC 36fc3a22e1d497493de89e773577ede9 [0,2,0,0,0,0|2,0,0]=4 7117 B13R0.330 CCCCCC[C@@H](C)NC(=O)CCC 273341f0243c4e84b213fc9dd3f4c1c0 [0,2,0,0,0,0|1,0,0]=3 7118 B13R0.330 CCCCCC[C@@H](C)NC(=O)CCF d1ae6ea1981d94cd1be26b1a8ab9d8f6 [0,2,0,0,0,0|2,0,0]=4 7119 B13R0.330 CCCCCC[C@@H](C)NC(=O)CCO a31c17eaad3adf38481ac860d1e6ce1f [0,2,0,0,0,0|2,0,0]=4 7120 B13R0.330 CCCCCC[C@@H](C)NC(=O)CCS 0a43c3885355d561e417ec89bbe1c8f9 [0,2,0,0,0,0|2,0,0]=4 7121 B13R0.330 CCCCCC[C@@H](C)NC(=O)COC 673abebfb46d99c39fe887b3b718d4d0 [0,2,0,0,0,0|2,0,0]=4 7122 B13R0.330 CCCCCC[C@@H](C)NC(=O)CSC ef14d6df53556e7ea690c04d5d69048c [0,2,0,0,0,0|2,0,0]=4 7123 B13R0.330 CCCCCC[C@@H](C)OC(C)CCC 06f00a2004bf885659ade5ff2e48c19b [0,2,0,0,0,0|1,0,1]=4 7124 B13R0.330 CCCCCC[C@H](C)NC(=O)CCC f4c5a1da9b2a7a8b5bde674759e3e1fc [0,2,0,0,0,0|1,0,0]=3 7125 B13R0.330 CCCCCC[C@H](C)NC(=O)CCF 3500e98450905f622aad42c45a6d2e82 [0,2,0,0,0,0|2,0,0]=4 7126 B13R0.330 CCCCCC[C@H](C)NC(=O)CCO 28b4828ff32fec1d994284d9f6945cf0 [0,2,0,0,0,0|2,0,0]=4 7127 B13R0.330 CCCCCC[C@H](C)NC(=O)CCS 2ce1072bdca463c88db84d75eaa1075e [0,2,0,0,0,0|2,0,0]=4 7128 B13R0.330 CCCCCC[C@H](C)NC(=O)COC db857da7a88a7cf793d190f9a59593e7 [0,2,0,0,0,0|2,0,0]=4 7129 B13R0.330 CCCCCC[C@H](C)NC(=O)CSC e6710eb0383273d519c9decca711735e [0,2,0,0,0,0|2,0,0]=4 7130 B13R0.330 CCCCCC[C@H](C)OC(C)CCC 508d9425fa2f7a84c414608ddaf5eb8e [0,2,0,0,0,0|1,0,1]=4 7131 B13R0.330 CCCCCNC(=O)CC(=O)CCC b38dd1ae2681e88b8bbb248386ef7653 [0,2,0,0,0,0|1,0,1]=4 7132 B13R0.330 CCCCCNC(C)CC(=O)OCC f3684dc24ce247ae141c26e53f048263 [0,2,0,0,0,0|2,0,0]=4 7133 B13R0.330 CCCCCNC(C)OC(=O)OCC 764f77bf3ccc276af7ab5626cd6a89a6 [0,2,0,0,0,0|1,0,0]=3 7134 B13R0.330 CCCCCOC(C)CC(=O)OCC 0284f90a2710980bce742638b7039184 [0,2,0,0,0,0|2,0,0]=4 7135 B13R0.330 CCCCCOC(C)OC(=O)OCC 10b35a748f236707e7d2165b95b5f233 [0,2,0,0,0,0|1,0,0]=3 7136 B13R0.330 CCCCCO[C@@H](C)CC(=O)OCC 8dd7f56da8a944cedc6824c0aff3651c [0,2,0,0,0,0|2,0,0]=4 7137 B13R0.330 CCCCCO[C@H](C)CC(=O)OCC 8328a6e6313aac237c27e53fc11aa716 [0,2,0,0,0,0|2,0,0]=4 7138 B13R0.330 CCCCNCC(F)CC(=O)OCC 12c3c11b9e9d964b9ea2714531d196b7 [0,2,0,0,0,0|2,0,0]=4 7139 B13R0.330 CCCCNCC(O)CC(=O)OCC 7abf0dd2cef9b5f26a8eeea164b2b53e [0,2,0,0,0,0|2,0,0]=4 7140 B13R0.330 CCCCNC[C@@H](O)CC(=O)OCC 479439f523d57a4398ce720c9dbe9d4c [0,2,0,0,0,0|2,0,0]=4 7141 B13R0.330 CCCCNC[C@H](O)CC(=O)OCC 7e62efb3375e40770e83a7f6eb6ee1be [0,2,0,0,0,0|2,0,0]=4 7142 B13R0.330 CCCCOCC(C)OC(C)CCC 05b8eb730b0fca3868dbe086d4478976 [0,2,0,0,0,0|1,0,1]=4 7143 B13R0.330 CCCCOCC(F)CC(=O)OCC 718e8d984fcaf328f9448497f2cd72f9 [0,2,0,0,0,0|2,0,0]=4 7144 B13R0.330 CCOC(=O)OC(C)NCCCCCl 502a282da2e142052616403c6c4cc6cc [0,2,0,0,0,0|2,0,0]=4 7145 B13R0.330 CCOC(=O)OC(C)NCCCCO 8d89d624924044a6fa1ed16f7e145850 [0,2,0,0,0,0|2,0,0]=4 7146 B13R0.330 CCOC(=O)OC(C)NCCCCS ef4b16ccd2a6d0a62a8b34765a322483 [0,2,0,0,0,0|2,0,0]=4 7147 B13R0.330 CCOC(=O)OC(C)NCCCOC ee0e09ec6fc4901e5e2e5c3e60456b7d [0,2,0,0,0,0|2,0,0]=4 7148 B13R0.330 CCOC(=O)OC(C)NCCCSC b61048e05ecb26d97cad762448a65207 [0,2,0,0,0,0|2,0,0]=4 7149 B13R0.330 CCOC(=O)OC(C)NCCSCC bd7a6d5ef2cbd8315b2fa67932291e21 [0,2,0,0,0,0|2,0,0]=4 7150 B13R0.330 CCOC(=O)OC(C)OCCCCF 6c60cdb24f3177db31c5ec9a2d906f65 [0,2,0,0,0,0|2,0,0]=4 7151 B13R0.330 CCOC(=O)OC(C)OCCCCS 2a415ade122af1cefb01205dc61b042c [0,2,0,0,0,0|2,0,0]=4 7152 B13R0.330 CCOC(=O)OC(C)OCCCOC 6c4dd3266646ae45771bbf785f10e039 [0,2,0,0,0,0|2,0,0]=4 7153 B13R0.330 CCOC(=O)OC(C)OCCCSC 706020295fa964c95fe6d02618283612 [0,2,0,0,0,0|2,0,0]=4 7154 B13R0.330 CCOC(=O)OC(C)OCCSCC 20c25808f1595d1d278155e5866f2da5 [0,2,0,0,0,0|2,0,0]=4 7155 B13R0.330 CCOCCNC(C)OC(=O)OCC 9e1f4a97a11eec3185b1a8eaea7caff3 [0,2,0,0,0,0|2,0,0]=4 7156 B13R0.330 CCOCCOC(C)OC(=O)OCC dbbb9f495fe7534c42a478b7153eb629 [0,2,0,0,0,0|2,0,0]=4 7157 B13R0.335 C#CCCCCCNC(=O)CC(C)C d05be2439a38c69d0d90c9595364e330 [0,2,0,0,0,0|1,0,1]=4 7158 B13R0.335 C#CCCCCCNC(=O)CC(C)O 456017dd6afcc956d6126ba749a4ff06 [0,2,0,0,0,0|1,0,1]=4 7159 B13R0.335 C#CCCCCCNC(=O)C[C@@H](C)O cb02f73d441940c4fcb9d84a03b5b230 [0,2,0,0,0,0|1,0,1]=4 7160 B13R0.335 C#CCCCCCNC(=O)C[C@H](C)O 0e6ea57ff1aea79217bf1a28672215af [0,2,0,0,0,0|1,0,1]=4 7161 B13R0.335 C#CCCCCOCC(=O)CC(C)C 7f731394d04a77140c447b7bb8ea417b [0,2,0,0,0,0|0,0,2]=4 7162 B13R0.335 C#CCCCNCOC(=O)CC(C)C f88c4b10e474016886a07447d469bb5b [0,2,0,0,0,0|0,0,2]=4 7163 B13R0.335 C#CCCCOCOC(=O)CC(C)C f62c2a380424d741a501567f2398f67d [0,2,0,0,0,0|0,0,2]=4 7164 B13R0.335 C/C=C/CCCOCC(=O)CC(C)C 29b42d0f7ea179901f9464c52c3fd602 [0,2,0,0,0,0|0,0,2]=4 7165 B13R0.335 C/C=C/CCOCOC(=O)CC(C)C 950aed7b8ff6da5fad61bc43a5063a20 [0,2,0,0,0,0|0,0,2]=4 7166 B13R0.335 C/C=C\CCCOCC(=O)CC(C)C ad37fd7ab5568fee0c54eca3630fc55e [0,2,0,0,0,0|0,0,2]=4 7167 B13R0.335 C=C(C)CC(=O)NCCCCCCC d355cdb5386a501eff6ebb3628415181 [0,2,0,0,0,0|1,0,1]=4 7168 B13R0.335 C=C(C)CC(=O)NCCCCCCCl 76ed5654d3d3de58d163ea78f29e391b [0,2,0,0,0,0|1,0,1]=4 7169 B13R0.335 C=C(C)CC(=O)NCCCCCCO 2ab5bc9ae617620ed6cec87bbc29d93d [0,2,0,0,0,0|1,0,1]=4 7170 B13R0.335 C=C(C)CC(=O)NCCCCCOC c46aa70c128071d58e637c0fcd775ed2 [0,2,0,0,0,0|1,0,1]=4 7171 B13R0.335 C=C(C)CC(=O)NCCCCSCC ec5d8c4f9e5ecfcb42728c2fccc34515 [0,2,0,0,0,0|1,0,1]=4 7172 B13R0.335 C=C(C)CC(=O)NCCCOCCC 0fe153ffa2cca3722e83b7464a9c57c6 [0,2,0,0,0,0|1,0,1]=4 7173 B13R0.335 C=C(C)CC(=O)NCCOCCCC 970dbc0546c5829b33a5fbd29d04d95b [0,2,0,0,0,0|1,0,1]=4 7174 B13R0.335 C=CCCCCCNC(=O)CC(C)C 39f43d315806c45603e78e0751ba95da [0,2,0,0,0,0|1,0,1]=4 7175 B13R0.335 C=CCCCCCNC(=O)CC(C)O 69cf2d3485fec0e1959b2ba2daad40f6 [0,2,0,0,0,0|1,0,1]=4 7176 B13R0.335 C=CCCCCCNC(=O)C[C@@H](C)O 1905446b5857d100e90e97beda435e17 [0,2,0,0,0,0|1,0,1]=4 7177 B13R0.335 C=CCCCCCNC(=O)C[C@H](C)O 50dda4efcd87adde2c13b7549f528771 [0,2,0,0,0,0|1,0,1]=4 7178 B13R0.335 C=CCCCCOCC(=O)CC(C)C e9bd021e656200d4298993bebc6e2ac1 [0,2,0,0,0,0|0,0,2]=4 7179 B13R0.335 C=CCCCNCOC(=O)CC(C)C 0bcab9204868cd5007bdb997d7dca594 [0,2,0,0,0,0|0,0,2]=4 7180 B13R0.335 C=CCCCOCOC(=O)CC(C)C c04e8d763bd11cd9ece022506d6b3dc8 [0,2,0,0,0,0|0,0,2]=4 7181 B13R0.335 CC#CCCCOCC(=O)CC(C)C 660319907069e1becbc6bbafef71ef66 [0,2,0,0,0,0|0,0,2]=4 7182 B13R0.335 CC#CCCOCOC(=O)CC(C)C e8a0cc7f3e1fce0644fbbdc8d09b0a29 [0,2,0,0,0,0|0,0,2]=4 7183 B13R0.335 CC(=O)CC(=O)NCCCCCCCl 0b0fd1ff4bcebcd4f85dfbb6080665da [0,2,0,0,0,0|1,0,1]=4 7184 B13R0.335 CC(=O)CC(=O)NCCCCCCO 54a3b1a05ba239ad30740d9d7bd6c31f [0,2,0,0,0,0|1,0,1]=4 7185 B13R0.335 CC(=O)CC(=O)OCCNCCCCl 35287c2afc2ad39e11194927ee4b7cad [0,2,0,0,0,0|1,0,1]=4 7186 B13R0.335 CC(=O)CC(=O)OCCNCCCO d4f629847f3a46922be9a77f30777509 [0,2,0,0,0,0|1,0,1]=4 7187 B13R0.335 CC(=O)CC(=O)OCCOCCCF 8c257bef0133f5909e566865bf13479d [0,2,0,0,0,0|1,0,1]=4 7188 B13R0.335 CC(=O)CC(=O)OCCOCCCS 788a939557e9e19429755e4c825b34c8 [0,2,0,0,0,0|1,0,1]=4 7189 B13R0.335 CC(C)CC(=O)CNCCCCCCl 340c6533422a8c9fe815c6e529d47b9e [0,2,0,0,0,0|2,0,0]=4 7190 B13R0.335 CC(C)CC(=O)CNCCCCCO 1e49d8ce7d0aaeea8965ea9273decd02 [0,2,0,0,0,0|2,0,0]=4 7191 B13R0.335 CC(C)CC(=O)COCCCCC#N baec7f5cd1a48ee45c8fdcb4bdd7552e [0,2,0,0,0,0|1,0,1]=4 7192 B13R0.335 CC(C)CC(=O)COCCCCC=O 828b0ffeb9c697e5559c8bb6db0a10e2 [0,2,0,0,0,0|1,0,1]=4 7193 B13R0.335 CC(C)CC(=O)COCCOCCF b47fe1976fe59077fc0a927ab5763e69 [0,2,0,0,0,0|2,0,0]=4 7194 B13R0.335 CC(C)CC(=O)COCCOCCS 27cbb0bd6be50c797553cc855c88731d [0,2,0,0,0,0|2,0,0]=4 7195 B13R0.335 CC(C)CC(=O)NCCCCCC#N 2d8bc439b313fc564fa824b7b1e18735 [0,2,0,0,0,0|1,0,1]=4 7196 B13R0.335 CC(C)CC(=O)NCCCCCCCl f0422d01981d14bbba245e8a28858443 [0,2,0,0,0,0|1,0,0]=3 7197 B13R0.335 CC(C)CC(=O)NCCCCCCO 45de0a79994c3b2283c283f209f04c73 [0,2,0,0,0,0|1,0,0]=3 7198 B13R0.335 CC(C)CC(=O)NCCCOCCO 1ecd64243de175514a45f8cfd2dcfb10 [0,2,0,0,0,0|2,0,0]=4 7199 B13R0.335 CC(C)CC(=O)NCCOCCCO 12c37dd102476ff07d33cfe8042f80e3 [0,2,0,0,0,0|2,0,0]=4 7200 B13R0.335 CC(C)CC(=O)OCNCCCC#N 0eedb6174fb307e79dd6e44cf418c90f [0,2,0,0,0,0|1,0,1]=4 7201 B13R0.335 CC(C)CC(=O)OCNCCCCCl c099a45545b79982a1b41392dcdd65fa [0,2,0,0,0,0|1,0,0]=3 7202 B13R0.335 CC(C)CC(=O)OCNCCCCO 1e82056ae761b0cad1bb26bb282a961f [0,2,0,0,0,0|1,0,0]=3 7203 B13R0.335 CC(C)CC(=O)OCNCCCCS 969c228b97ad61561b3a7e09abbf4aea [0,2,0,0,0,0|1,0,0]=3 7204 B13R0.335 CC(C)CC(=O)OCOCCCC#N cd78bd3eeaec9dcdf27096b190826915 [0,2,0,0,0,0|1,0,1]=4 7205 B13R0.335 CC(C)CC(=O)OCOCCCC=O fe1263845a7ab42eb329d365a1720eba [0,2,0,0,0,0|1,0,1]=4 7206 B13R0.335 CC(C)CC(=O)OCOCCCCF 25aaedb7eb4c1f1e7f062ab1b53d0c9e [0,2,0,0,0,0|1,0,0]=3 7207 B13R0.335 CC(C)CC(=O)OCOCCCCS 539b549b305a23848a084ab08eef5960 [0,2,0,0,0,0|1,0,0]=3 7208 B13R0.335 CC(C)CC(C)OCCCCCCF fc4466b999041d27995565b1aff6b182 [0,2,0,0,0,0|1,0,1]=4 7209 B13R0.335 CC(C)CC(C)OCCCCCCS a1232ac20ea9f3655cfe729979ac807f [0,2,0,0,0,0|1,0,1]=4 7210 B13R0.335 CC(C)C[C@@H](C)OCCCCCCF 302f7cb8807b569011045caceb009b85 [0,2,0,0,0,0|1,0,1]=4 7211 B13R0.335 CC(C)C[C@H](C)OCCCCCCF 7d0b8a7e9ad437c63712ea4ce3228d8c [0,2,0,0,0,0|1,0,1]=4 7212 B13R0.335 CC(C)NC(=O)COCCCCCF 25338aefffbfe80c0b03cd8d9070ae46 [0,2,0,0,0,0|2,0,0]=4 7213 B13R0.335 CC(C)OC(=O)COCCCCCF 894322e58027e8f3e1ceb308b507e74e [0,2,0,0,0,0|2,0,0]=4 7214 B13R0.335 CC(C)OC(=O)OCNCCCCCl c8dff59fa57f16875fb223d4513f235d [0,2,0,0,0,0|2,0,0]=4 7215 B13R0.335 CC(C)OC(=O)OCNCCCCO 4a66806aaaed4f7344c53c6e46f2e75f [0,2,0,0,0,0|2,0,0]=4 7216 B13R0.335 CC(C)OC(=O)OCNCCCCS 360371ca8df29e9a43f461dd46c482cf [0,2,0,0,0,0|2,0,0]=4 7217 B13R0.335 CC(C)OC(=O)OCOCCCCF 9f7498b5daf0d9f69219a081b3994bae [0,2,0,0,0,0|2,0,0]=4 7218 B13R0.335 CC(C)OC(=O)OCOCCCCS f3e6c67097a68d0e209a6af3a56bb21b [0,2,0,0,0,0|2,0,0]=4 7219 B13R0.335 CC(O)CC(=O)NCCCCCC#N efdeb4448fb49c633004050caf12f8f2 [0,2,0,0,0,0|1,0,1]=4 7220 B13R0.335 CC(O)CC(=O)NCCCCCCCl 825c8fecc29fa0da729259020970af22 [0,2,0,0,0,0|1,0,0]=3 7221 B13R0.335 CC(O)CC(=O)NCCCCCCO ce1b8bdbc3b8c53df7de9d179ad8e6b3 [0,2,0,0,0,0|1,0,0]=3 7222 B13R0.335 CC(O)CC(=O)NCCCOCCO 9092a627867b4da07086dd2e1a3d79be [0,2,0,0,0,0|2,0,0]=4 7223 B13R0.335 CC(O)CC(=O)NCCOCCCO 8366b094330f9174feb48ca93efd0795 [0,2,0,0,0,0|2,0,0]=4 7224 B13R0.335 CC/C=C/CCOCC(=O)CC(C)C e030e97de21aa19e90450c5d58f2337e [0,2,0,0,0,0|0,0,2]=4 7225 B13R0.335 CC/C=C/COCOC(=O)CC(C)C ac617c30cb0a227d45cdca6be51de98a [0,2,0,0,0,0|0,0,2]=4 7226 B13R0.335 CC/C=C\CCOCC(=O)CC(C)C 26fd2c53b36c893a1809560db9f17719 [0,2,0,0,0,0|0,0,2]=4 7227 B13R0.335 CC/C=C\COCOC(=O)CC(C)C 2dec7628f93be1ef8157428e0c74cf62 [0,2,0,0,0,0|0,0,2]=4 7228 B13R0.335 CC=CCCCOCC(=O)CC(C)C 9908c66cfef9f7ba39f566eb6cb9521c [0,2,0,0,0,0|0,0,2]=4 7229 B13R0.335 CCC#CCCOCC(=O)CC(C)C 828b1fc9d83a62b2b4fc5c76b732282d [0,2,0,0,0,0|0,0,2]=4 7230 B13R0.335 CCC#CCOCOC(=O)CC(C)C 7961668ab2f0e44fcbea55450584c0fc [0,2,0,0,0,0|0,0,2]=4 7231 B13R0.335 CCC/C=C/COCC(=O)CC(C)C d47f650abb1a4755dedc752bdb364807 [0,2,0,0,0,0|0,0,2]=4 7232 B13R0.335 CCC/C=C\COCC(=O)CC(C)C 51de74a3e88b52f82c697442af86ecc3 [0,2,0,0,0,0|0,0,2]=4 7233 B13R0.335 CCCC#CCOCC(=O)CC(C)C 9802ab5871e5928917551cad25327990 [0,2,0,0,0,0|0,0,2]=4 7234 B13R0.335 CCCCCCCNC(=O)CC(=O)C 8b7697d5f6b1e52cb7ec0a4a7376a700 [0,2,0,0,0,0|1,0,1]=4 7235 B13R0.335 CCCCCCCNC(=O)CC(C)C d4f5eb9f42843cf497fb74b1ffbc3675 [0,2,0,0,0,0|1,0,0]=3 7236 B13R0.335 CCCCCCCNC(=O)CC(C)O 8e9e2cb02e99869e2acf4d3b9d7445f7 [0,2,0,0,0,0|1,0,0]=3 7237 B13R0.335 CCCCCCCNC(=O)CC(F)F 27f38ccb1e4f04b68c99c71d93873ef1 [0,2,0,0,0,0|2,0,0]=4 7238 B13R0.335 CCCCCCCNC(=O)CN(C)C 3d8462859f888f18f86cad1b6a1e4a0a [0,2,0,0,0,0|2,0,0]=4 7239 B13R0.335 CCCCCCCNC(=O)C[C@@H](C)O 47466de886acdfd84f8894d18b9038fb [0,2,0,0,0,0|1,0,0]=3 7240 B13R0.335 CCCCCCCNC(=O)C[C@H](C)O 76d3ed10a3459596bd6af11187a622b6 [0,2,0,0,0,0|1,0,0]=3 7241 B13R0.335 CCCCCCCOC(C)CC(C)C fe671017d60cb34ff51f5bdd4c92c3ad [0,2,0,0,0,0|1,0,1]=4 7242 B13R0.335 CCCCCCCO[C@@H](C)CC(C)C f30d7ba71c67e773ea98ab8b4fc3f5d1 [0,2,0,0,0,0|1,0,1]=4 7243 B13R0.335 CCCCCCCO[C@H](C)CC(C)C 8aff04ae87e68a65ce19746b6a31737a [0,2,0,0,0,0|1,0,1]=4 7244 B13R0.335 CCCCCCNCC(=O)CC(C)C 7624e86be1e974b837400b5be14967f5 [0,2,0,0,0,0|1,0,0]=3 7245 B13R0.335 CCCCCCNCC(=O)NC(C)C 7a7e542db058622aee9943247599dab9 [0,2,0,0,0,0|2,0,0]=4 7246 B13R0.335 CCCCCCNCC(=O)OC(C)C 8da1c034d4611b7d96a428d8ad9e826b [0,2,0,0,0,0|2,0,0]=4 7247 B13R0.335 CCCCCCOCC(=O)CC(=O)O 11123412d9ca152299a65858af04f91c [0,2,0,0,0,0|1,0,1]=4 7248 B13R0.335 CCCCCCOCC(=O)CC(C)C 1af3c8cad488da9da8ef03e201b6e227 [0,2,0,0,0,0|0,0,0]=2 7249 B13R0.335 CCCCCCOCC(=O)NC(=O)C dee8ce6bee02b18cafe827c3abfc17d9 [0,2,0,0,0,0|1,0,1]=4 7250 B13R0.335 CCCCCCOCC(=O)NC(C)C 3a6c263120087150fdd41f8cdea077d6 [0,2,0,0,0,0|1,0,0]=3 7251 B13R0.335 CCCCCCOCC(=O)OC(C)C 507c24e4c058bb578d428888588fc848 [0,2,0,0,0,0|1,0,0]=3 7252 B13R0.335 CCCCCCOCC(C)CC(C)C c0031e159b7abfc2d0e4144def925a2b [0,2,0,0,0,0|1,0,1]=4 7253 B13R0.335 CCCCCNCCC(=O)NC(C)C 7c08dc30e4f58e29730458ff22085141 [0,2,0,0,0,0|2,0,0]=4 7254 B13R0.335 CCCCCNCCC(=O)OC(C)C 68324156b791bcb8c495c1d54f521b30 [0,2,0,0,0,0|2,0,0]=4 7255 B13R0.335 CCCCCNCOC(=O)CC(C)C 39513e8e7f4706d75845320bd78e5130 [0,2,0,0,0,0|0,0,0]=2 7256 B13R0.335 CCCCCNCOC(=O)OC(C)C 76826f4d47a36b0fd71ce3d89ceb5ddb [0,2,0,0,0,0|1,0,0]=3 7257 B13R0.335 CCCCCOCCC(=O)NC(C)C f95bec5c870ba0c24f50f589a3202eab [0,2,0,0,0,0|2,0,0]=4 7258 B13R0.335 CCCCCOCCC(=O)OC(C)C 331004e4b5085a0ef48f1476baed8b06 [0,2,0,0,0,0|2,0,0]=4 7259 B13R0.335 CCCCCOCOC(=O)CC(C)C e5dded12451b316a34ec687be2e78406 [0,2,0,0,0,0|0,0,0]=2 7260 B13R0.335 CCCCCOCOC(=O)OC(C)C 21c6a0eb60c3498636c067741b98842a [0,2,0,0,0,0|1,0,0]=3 7261 B13R0.335 CCCCNCCNC(=O)NC(C)C 312373ac2e097d0b8cf9e33e0e29d93c [0,2,0,0,0,0|2,0,0]=4 7262 B13R0.335 CCCCNCCOC(=O)CC(=O)C 628037392a02d1db69a4d8970ed3d039 [0,2,0,0,0,0|0,0,1]=3 7263 B13R0.335 CCCCOCCNC(=O)CC(=O)C 129b404272b7c425598a29a96022a053 [0,2,0,0,0,0|1,0,1]=4 7264 B13R0.335 CCCCOCCNC(=O)CC(C)C e56b7ace4816cfa84a33221fe18efc17 [0,2,0,0,0,0|1,0,0]=3 7265 B13R0.335 CCCCOCCNC(=O)CC(C)O d2f3f00c7d48f8124fcd4b646a4c7d25 [0,2,0,0,0,0|1,0,0]=3 7266 B13R0.335 CCCCOCCNC(=O)CC(F)F b652349f56ecde61fbb6c73f053d9b19 [0,2,0,0,0,0|2,0,0]=4 7267 B13R0.335 CCCCOCCNC(=O)CN(C)C 147b0d1020d90ae103ed44ae2aa6a725 [0,2,0,0,0,0|2,0,0]=4 7268 B13R0.335 CCCCOCCNC(=O)C[C@@H](C)O 6c5852ad7baeb1549f97fd87986cd6e4 [0,2,0,0,0,0|1,0,0]=3 7269 B13R0.335 CCCCOCCNC(=O)C[C@H](C)O e5543760cb8ba88c8e83d27c0c0e4c89 [0,2,0,0,0,0|1,0,0]=3 7270 B13R0.335 CCCCOCCOC(=O)CC(=O)C 88d70c4b87602a6a4f09736232dc9c06 [0,2,0,0,0,0|0,0,1]=3 7271 B13R0.335 CCCCOCCOC(C)CC(C)C 576d8a41c2a9f871626bb67f4209e4de [0,2,0,0,0,0|1,0,1]=4 7272 B13R0.335 CCCCOCCO[C@@H](C)CC(C)C 0757fa8d7b1d97a91f595b2046e0cba9 [0,2,0,0,0,0|1,0,1]=4 7273 B13R0.335 CCCCOCCO[C@H](C)CC(C)C e4b4531b527f134947ad3c8a5e9de966 [0,2,0,0,0,0|1,0,1]=4 7274 B13R0.335 CCCCOCOCC(=O)NC(C)C c895360bcaa274d8ae11fb7910427d4f [0,2,0,0,0,0|2,0,0]=4 7275 B13R0.335 CCCCOCOCC(=O)OC(C)C d08a5bc121bbec646295074a231216d6 [0,2,0,0,0,0|2,0,0]=4 7276 B13R0.335 CCCCSCCOC(C)CC(C)C 1542b8aa58a593cd162a1291ad126761 [0,2,0,0,0,0|1,0,1]=4 7277 B13R0.335 CCCOCCCNC(=O)CC(=O)C b9b308427bf87e4304314c64b9a0f089 [0,2,0,0,0,0|1,0,1]=4 7278 B13R0.335 CCCOCCCNC(=O)CC(C)C 8d779b5ffb2642f0131d0330ff18ee7f [0,2,0,0,0,0|1,0,0]=3 7279 B13R0.335 CCCOCCCNC(=O)CC(C)O 8ab48a0d5d9d9b98a1acf8633f2e2cf9 [0,2,0,0,0,0|1,0,0]=3 7280 B13R0.335 CCCOCCCNC(=O)CC(F)F be9cc58b94de270d86cde4deb5bbf29d [0,2,0,0,0,0|2,0,0]=4 7281 B13R0.335 CCCOCCCNC(=O)CN(C)C 5f7ecaaf73d071978e0ad2bf983db06a [0,2,0,0,0,0|2,0,0]=4 7282 B13R0.335 CCCOCCCNC(=O)C[C@@H](C)O 2d609be6675652ed3fbe72b9011069ca [0,2,0,0,0,0|1,0,0]=3 7283 B13R0.335 CCCOCCCNC(=O)C[C@H](C)O c4c551e2613900d142cc71de100cd9e5 [0,2,0,0,0,0|1,0,0]=3 7284 B13R0.335 CCCOCCCOC(C)CC(C)C fcbec2d8d98e981c658c8823555f4510 [0,2,0,0,0,0|1,0,1]=4 7285 B13R0.335 CCCOCCCO[C@@H](C)CC(C)C d8c7c060213b7ff4a541ac4698989957 [0,2,0,0,0,0|1,0,1]=4 7286 B13R0.335 CCCOCCCO[C@H](C)CC(C)C 5d39c32e39f915885971e18a7f2c25cb [0,2,0,0,0,0|1,0,1]=4 7287 B13R0.335 CCCOCCNCC(=O)CC(C)C 95b9aed865a71f504cf015c8e72f6193 [0,2,0,0,0,0|2,0,0]=4 7288 B13R0.335 CCCOCCOCC(=O)CC(C)C b105f0f4227285a81d1cc0f0f5bf853c [0,2,0,0,0,0|1,0,0]=3 7289 B13R0.335 CCCOCCOCC(=O)NC(C)C f611639485531c92f5bad36f6cf97c6a [0,2,0,0,0,0|2,0,0]=4 7290 B13R0.335 CCCOCCOCC(=O)OC(C)C b55297ed794add016d08eb2f0688bf43 [0,2,0,0,0,0|2,0,0]=4 7291 B13R0.335 CCCSCCOCC(=O)CC(C)C 4d26e4119e7a8e241c15a7c3b946de38 [0,2,0,0,0,0|1,0,0]=3 7292 B13R0.335 CCCSCCOCC(=O)NC(C)C f99b733d1fa5072ec1ede52d88afa77b [0,2,0,0,0,0|2,0,0]=4 7293 B13R0.335 CCCSCCOCC(=O)OC(C)C 34c5a813453aa5b55267b4dbeb8c26cd [0,2,0,0,0,0|2,0,0]=4 7294 B13R0.335 CCOCCCNCC(=O)CC(C)C c9c450a82d698145530b2c018c71b2a4 [0,2,0,0,0,0|2,0,0]=4 7295 B13R0.335 CCOCCCOCC(=O)CC(C)C 895fb251a8a0d42eadcacc6eab3ef440 [0,2,0,0,0,0|1,0,0]=3 7296 B13R0.335 CCOCCCOCC(=O)NC(C)C e6b68fc52c9ab784c7b6caa07de819fd [0,2,0,0,0,0|2,0,0]=4 7297 B13R0.335 CCOCCCOCC(=O)OC(C)C c6df239c2b3dde8d3d89d8033daad9c0 [0,2,0,0,0,0|2,0,0]=4 7298 B13R0.335 CCOCCNCOC(=O)CC(C)C b00fc51beccef46654d66582a019ec9c [0,2,0,0,0,0|1,0,0]=3 7299 B13R0.335 CCOCCNCOC(=O)OC(C)C 7d9ddfd341dbe18c59ff0ceceb959d07 [0,2,0,0,0,0|2,0,0]=4 7300 B13R0.335 CCOCCOCOC(=O)CC(C)C ac337049c9f67141775ca73e66adfb99 [0,2,0,0,0,0|1,0,0]=3 7301 B13R0.335 CCOCCOCOC(=O)OC(C)C 36ef99a1fafb9af934d048447bf20200 [0,2,0,0,0,0|2,0,0]=4 7302 B13R0.335 CCSCCCCNC(=O)CC(=O)C 7e1413768a33e17bf8d89ea1c51771cd [0,2,0,0,0,0|1,0,1]=4 7303 B13R0.335 CCSCCCCNC(=O)CC(C)C e873bea71c571076b7467187b4f400c2 [0,2,0,0,0,0|1,0,0]=3 7304 B13R0.335 CCSCCCCNC(=O)CC(C)O 84b100f93dc9b660e9f332134ff2bc7e [0,2,0,0,0,0|1,0,0]=3 7305 B13R0.335 CCSCCCCNC(=O)CC(F)F 338f6da213064619e3386839dff202a2 [0,2,0,0,0,0|2,0,0]=4 7306 B13R0.335 CCSCCCCNC(=O)CN(C)C 39756ff6f1baf7e73dbf3853b44ca90e [0,2,0,0,0,0|2,0,0]=4 7307 B13R0.335 CCSCCCCNC(=O)C[C@@H](C)O 1be3acfa7862715a1b1a1f72c0835961 [0,2,0,0,0,0|1,0,0]=3 7308 B13R0.335 CCSCCCCNC(=O)C[C@H](C)O 42757667ca6316bad13f418635fdde1b [0,2,0,0,0,0|1,0,0]=3 7309 B13R0.335 CCSCCCOCC(=O)CC(C)C e59a4addfc961822321fc4282b0a62fc [0,2,0,0,0,0|1,0,0]=3 7310 B13R0.335 CCSCCCOCC(=O)NC(C)C 592a2db35eb881db6543f9e505ac8e72 [0,2,0,0,0,0|2,0,0]=4 7311 B13R0.335 CCSCCCOCC(=O)OC(C)C 36d958bb4c8d4a79671d865cd2f3b3ab [0,2,0,0,0,0|2,0,0]=4 7312 B13R0.335 CCSCCNCOC(=O)CC(C)C e2551b00c1ec86e99b431506149c05b8 [0,2,0,0,0,0|1,0,0]=3 7313 B13R0.335 CCSCCNCOC(=O)OC(C)C b74f2b0d608527f4b15cdbf91c0af8cb [0,2,0,0,0,0|2,0,0]=4 7314 B13R0.335 CCSCCOCOC(=O)CC(C)C a250e60d743eccbc2c3ef6ffe1bb9fc5 [0,2,0,0,0,0|1,0,0]=3 7315 B13R0.335 CCSCCOCOC(=O)OC(C)C 4e1fc9fc902aa0d780870c37fa3fa6ca [0,2,0,0,0,0|2,0,0]=4 7316 B13R0.335 CN(C)CC(=O)NCCCCCCCl 5ce664081e41591d4a7aad3c3f77032a [0,2,0,0,0,0|2,0,0]=4 7317 B13R0.335 CN(C)CC(=O)NCCCCCCO 275d0076372d43a6c7f391c35d153b5f [0,2,0,0,0,0|2,0,0]=4 7318 B13R0.335 COCCCCCNC(=O)CC(=O)C c9916212e932d34195a58cf33fd9ff10 [0,2,0,0,0,0|1,0,1]=4 7319 B13R0.335 COCCCCCNC(=O)CC(C)C a12c7f89263e672c907e7681b4cc655d [0,2,0,0,0,0|1,0,0]=3 7320 B13R0.335 COCCCCCNC(=O)CC(C)O 777804c3448f720f3ea53922045ef111 [0,2,0,0,0,0|1,0,0]=3 7321 B13R0.335 COCCCCCNC(=O)CC(F)F bfa64e79d1ebbccbee57b06a405bec9e [0,2,0,0,0,0|2,0,0]=4 7322 B13R0.335 COCCCCCNC(=O)CN(C)C c95cc144fc4423b180d7e6996597b441 [0,2,0,0,0,0|2,0,0]=4 7323 B13R0.335 COCCCCCNC(=O)C[C@@H](C)O d36b6bf5a3f5f57164990580f467feeb [0,2,0,0,0,0|1,0,0]=3 7324 B13R0.335 COCCCCCNC(=O)C[C@H](C)O e03fae1361a259e0c4d2077ffa094beb [0,2,0,0,0,0|1,0,0]=3 7325 B13R0.335 COCCCCCOC(C)CC(C)C 4f294e843302989fc045c2c448798677 [0,2,0,0,0,0|1,0,1]=4 7326 B13R0.335 COCCCCCO[C@@H](C)CC(C)C 604ad6c514f1ead0d948ad1eb41e5756 [0,2,0,0,0,0|1,0,1]=4 7327 B13R0.335 COCCCCCO[C@H](C)CC(C)C 784642629eeb71c8c43928bceaecf3ee [0,2,0,0,0,0|1,0,1]=4 7328 B13R0.335 COCCCCNCC(=O)CC(C)C a940f13b1ad8a41993405463f32144d7 [0,2,0,0,0,0|2,0,0]=4 7329 B13R0.335 COCCCCOCC(=O)CC(C)C ea0e5d62f558c8b2733ecf3215c209e4 [0,2,0,0,0,0|1,0,0]=3 7330 B13R0.335 COCCCCOCC(=O)NC(C)C 136be65185ce251ab6c2c4f53083e9ce [0,2,0,0,0,0|2,0,0]=4 7331 B13R0.335 COCCCCOCC(=O)OC(C)C aeee752aab7c655d4fb7f9865605a46f [0,2,0,0,0,0|2,0,0]=4 7332 B13R0.335 COCCCNCOC(=O)CC(C)C 23c4595f631e786fd91c1ea88b35580c [0,2,0,0,0,0|1,0,0]=3 7333 B13R0.335 COCCCNCOC(=O)OC(C)C f509945b2172b0f772f6bb89dfa8149e [0,2,0,0,0,0|2,0,0]=4 7334 B13R0.335 COCCCOCOC(=O)CC(C)C 95324a4c7d6d65306b2a2a954c69055b [0,2,0,0,0,0|1,0,0]=3 7335 B13R0.335 COCCCOCOC(=O)OC(C)C dfcadf0d47c760925de0aac2d170127e [0,2,0,0,0,0|2,0,0]=4 7336 B13R0.335 COCCNCCOC(=O)CC(=O)C f0882288a31d3e18aad3bc8550fe99ea [0,2,0,0,0,0|1,0,1]=4 7337 B13R0.335 COCCOCCNC(=O)CC(C)C 302c9b1007994c138742f4651ed2466e [0,2,0,0,0,0|2,0,0]=4 7338 B13R0.335 COCCOCCNC(=O)CC(C)O 34f61e290d4ae284f4fa823ff9714072 [0,2,0,0,0,0|2,0,0]=4 7339 B13R0.335 COCCOCCNC(=O)C[C@@H](C)O 180d2dd0f72ef5cfe2b5071b36bb5997 [0,2,0,0,0,0|2,0,0]=4 7340 B13R0.335 COCCOCCNC(=O)C[C@H](C)O 51921a371de9c91b6a993ad016bae565 [0,2,0,0,0,0|2,0,0]=4 7341 B13R0.335 COCCOCCOC(=O)CC(=O)C 33bcc39c169b6a70dc29ecbe19bf1679 [0,2,0,0,0,0|1,0,1]=4 7342 B13R0.335 CSCCCCNCC(=O)CC(C)C 151a64564bd301e67d7cb70acbe45497 [0,2,0,0,0,0|2,0,0]=4 7343 B13R0.335 CSCCCCOCC(=O)CC(C)C 564c781770fce9eb893d45d0c49798de [0,2,0,0,0,0|1,0,0]=3 7344 B13R0.335 CSCCCCOCC(=O)NC(C)C 9f169ba2524e1555504e5b52d641a296 [0,2,0,0,0,0|2,0,0]=4 7345 B13R0.335 CSCCCCOCC(=O)OC(C)C d16c6bd87b78e2e6fd3af924f0118255 [0,2,0,0,0,0|2,0,0]=4 7346 B13R0.335 CSCCCNCOC(=O)CC(C)C 1b239279590119722a3780169f1f8cc3 [0,2,0,0,0,0|1,0,0]=3 7347 B13R0.335 CSCCCNCOC(=O)OC(C)C f1e4ab3a4ce783c448b54c6f1e2a6e75 [0,2,0,0,0,0|2,0,0]=4 7348 B13R0.335 CSCCCOCOC(=O)CC(C)C c367201909ecdafafa3363fc47dd5fb3 [0,2,0,0,0,0|1,0,0]=3 7349 B13R0.335 CSCCCOCOC(=O)OC(C)C fb6744a9af2a1f610e36f9c39bd6b445 [0,2,0,0,0,0|2,0,0]=4 7350 B13R0.335 CSCCNCCOC(=O)CC(=O)C 36724fa6a351041e2cbe288be17e1200 [0,2,0,0,0,0|1,0,1]=4 7351 B13R0.335 CSCCOCCOC(=O)CC(=O)C 7908520b92b12e6f6c232374c4079404 [0,2,0,0,0,0|1,0,1]=4 7352 B13R0.335 C[C@@H](O)CC(=O)NCCCCCC#N ce49ecddd6b63cf44c0911858ca6fb8d [0,2,0,0,0,0|1,0,1]=4 7353 B13R0.335 C[C@@H](O)CC(=O)NCCCCCCCl a10d5276a402b8e410f2fbc5dc774a8c [0,2,0,0,0,0|1,0,0]=3 7354 B13R0.335 C[C@@H](O)CC(=O)NCCCCCCO 27aebd0573dafd98aec2c1543412f409 [0,2,0,0,0,0|1,0,0]=3 7355 B13R0.335 C[C@@H](O)CC(=O)NCCCOCCO b4e56ae54885850f4442ea1fb0bd6b58 [0,2,0,0,0,0|2,0,0]=4 7356 B13R0.335 C[C@@H](O)CC(=O)NCCOCCCO f8b170822b321789ab8e482ad4922ce5 [0,2,0,0,0,0|2,0,0]=4 7357 B13R0.335 C[C@H](O)CC(=O)NCCCCCC#N e9c8d6d13b26fb3c966f153aedd79455 [0,2,0,0,0,0|1,0,1]=4 7358 B13R0.335 C[C@H](O)CC(=O)NCCCCCCCl e8ce8aeaff9be499285d2f2a78e912f2 [0,2,0,0,0,0|1,0,0]=3 7359 B13R0.335 C[C@H](O)CC(=O)NCCCCCCO c7715246c5e7e9cfc6081241b322f2e2 [0,2,0,0,0,0|1,0,0]=3 7360 B13R0.335 C[C@H](O)CC(=O)NCCCOCCO eea82c0a02d359c064ce914888fef94d [0,2,0,0,0,0|2,0,0]=4 7361 B13R0.335 C[C@H](O)CC(=O)NCCOCCCO b90eb951cb57b525e1b588e059d47dbe [0,2,0,0,0,0|2,0,0]=4 7362 B13R0.335 O=C(CC(F)F)NCCCCCCCl 38987fed1c0bf94d7a71f022d6df34d0 [0,2,0,0,0,0|2,0,0]=4 7363 B13R0.335 O=C(CC(F)F)NCCCCCCO d7390c997c1025dfd16b263969cac8cf [0,2,0,0,0,0|2,0,0]=4 7364 B13R0.340 C#CCCCCCNC(=O)C(O)CC dc97ea3be9f60c6a7d28e36b52d91683 [0,2,0,0,0,0|1,0,1]=4 7365 B13R0.340 C#CCCCCCNC(=O)[C@@H](O)CC 9a4fffdc9d9c1969699e96015a9dcc09 [0,2,0,0,0,0|1,0,1]=4 7366 B13R0.340 C#CCCCCCNC(=O)[C@@H](S)CC ceb9c7b006e319698c44b6168a141555 [0,2,0,0,0,0|1,0,1]=4 7367 B13R0.340 C#CCCCCCNC(=O)[C@H](O)CC a092338d1bf7991ade2c4d6157520b20 [0,2,0,0,0,0|1,0,1]=4 7368 B13R0.340 C#CCCCCOCC(=O)C(C)CC b48a79ecdc61832f5aa7142ccfd96121 [0,2,0,0,0,0|0,0,2]=4 7369 B13R0.340 C/C=C/CCCOCC(=O)C(C)CC 0f467841da3f32b963da3df234417c68 [0,2,0,0,0,0|0,0,2]=4 7370 B13R0.340 C/C=C\CCCOCC(=O)C(C)CC bb4948f814fdefb4969ff7d9a2902253 [0,2,0,0,0,0|0,0,2]=4 7371 B13R0.340 C=C(CC)C(=O)NCCCCCCC eec600fb89f255b80b40ecdd2016b304 [0,2,0,0,0,0|1,0,1]=4 7372 B13R0.340 C=C(CC)C(=O)NCCCCCCCl b1ff3efa0361bf6f56ff7fbb34e8c572 [0,2,0,0,0,0|1,0,1]=4 7373 B13R0.340 C=C(CC)C(=O)NCCCCCCO 2f206910fbc17f159a1c9bc8c3e3675a [0,2,0,0,0,0|1,0,1]=4 7374 B13R0.340 C=C(CC)C(=O)NCCCCCOC 23f2f1d29eed33623bd8c3c4a8910bce [0,2,0,0,0,0|1,0,1]=4 7375 B13R0.340 C=C(CC)C(=O)NCCCCSCC 72121c3f7fd72bf5b4b36e5136b92de4 [0,2,0,0,0,0|1,0,1]=4 7376 B13R0.340 C=C(CC)C(=O)NCCCOCCC c2b721c2487924c59fa6d35c16244c92 [0,2,0,0,0,0|1,0,1]=4 7377 B13R0.340 C=C(CC)C(=O)NCCOCCCC f39c9b1dc1117c48ddd6d13f2fe29c61 [0,2,0,0,0,0|1,0,1]=4 7378 B13R0.340 C=CCCCCCNC(=O)C(O)CC 23b9c4955e497806d64615bb48e72354 [0,2,0,0,0,0|1,0,1]=4 7379 B13R0.340 C=CCCCCCNC(=O)[C@@H](O)CC f97549976b9bf162abaae4d73d39e0f9 [0,2,0,0,0,0|1,0,1]=4 7380 B13R0.340 C=CCCCCCNC(=O)[C@@H](S)CC ea02753bfc9c5f5e413a8ed402fc17ac [0,2,0,0,0,0|1,0,1]=4 7381 B13R0.340 C=CCCCCCNC(=O)[C@H](O)CC 638227ce7cce7ad7c7022bd13690085f [0,2,0,0,0,0|1,0,1]=4 7382 B13R0.340 C=CCCCCOCC(=O)C(C)CC 1c8b5e331b1e1aae3e946c1d82038b14 [0,2,0,0,0,0|0,0,2]=4 7383 B13R0.340 CC#CCCCOCC(=O)C(C)CC 12433f64eb312c40cc68f43352135761 [0,2,0,0,0,0|0,0,2]=4 7384 B13R0.340 CC/C=C/CCOCC(=O)C(C)CC 6343e628dd39caaf2cdc677be2e68180 [0,2,0,0,0,0|0,0,2]=4 7385 B13R0.340 CC/C=C\CCOCC(=O)C(C)CC 2eb75b1619d7096f04eeaab8f292988b [0,2,0,0,0,0|0,0,2]=4 7386 B13R0.340 CC=CCCCOCC(=O)C(C)CC 49c08949655f20daa2978f7b3c50bf3e [0,2,0,0,0,0|0,0,2]=4 7387 B13R0.340 CCC#CCCOCC(=O)C(C)CC 6dc4a2beb3ea6de26a02b04703655bad [0,2,0,0,0,0|0,0,2]=4 7388 B13R0.340 CCC(=O)C(=O)NCCCCCCCl 8260a44addc6bf6af9d2aa2333ff33ef [0,2,0,0,0,0|1,0,1]=4 7389 B13R0.340 CCC(=O)C(=O)NCCCCCCO 66a8cbe1292d5f64f161aedcef803613 [0,2,0,0,0,0|1,0,1]=4 7390 B13R0.340 CCC(=O)C(=O)NCCCCCOC 3e5606ccc0cb1499c91df17ccb50913c [0,2,0,0,0,0|1,0,1]=4 7391 B13R0.340 CCC(C)C(=O)CNCCCCCCl 35b24f53be65029952814c9a1f26b752 [0,2,0,0,0,0|2,0,0]=4 7392 B13R0.340 CCC(C)C(=O)CNCCCCCO 0b2d13d2702ac7bc91d1385840821511 [0,2,0,0,0,0|2,0,0]=4 7393 B13R0.340 CCC(C)C(=O)CNCCCCOC ff1bc205d30b2caee70d41a6820abd87 [0,2,0,0,0,0|2,0,0]=4 7394 B13R0.340 CCC(C)C(=O)CNCCCCSC 3f19ddea0bbdb171379d245595f2754f [0,2,0,0,0,0|2,0,0]=4 7395 B13R0.340 CCC(C)C(=O)COCCCCC#N 6a99055c958260080618f0c0be4a558a [0,2,0,0,0,0|1,0,1]=4 7396 B13R0.340 CCC(C)C(=O)COCCCCC=O 7424d63f5b7ad6738137d531de2b7a72 [0,2,0,0,0,0|1,0,1]=4 7397 B13R0.340 CCC(C)C(=O)COCCCCOC d0b81c30138067dfdd96a49729862916 [0,2,0,0,0,0|1,0,0]=3 7398 B13R0.340 CCC(C)C(=O)COCCCCSC 24c1db82c00c1ad35211a994be51df2d [0,2,0,0,0,0|1,0,0]=3 7399 B13R0.340 CCC(C)C(=O)COCCOCCF b3ae280e052ba47793efb8d680cf0ced [0,2,0,0,0,0|2,0,0]=4 7400 B13R0.340 CCC(C)C(=O)COCCOCCS 0ec8ea8b7cfcda41ab4f61a4e2e6402d [0,2,0,0,0,0|2,0,0]=4 7401 B13R0.340 CCC(C)C(C)OCCCCCCF 359f26057f63d71fa4fe380be843b863 [0,2,0,0,0,0|1,0,1]=4 7402 B13R0.340 CCC(C)C(C)OCCCCCOC 421b833488f534513c64c135588450ad [0,2,0,0,0,0|1,0,1]=4 7403 B13R0.340 CCC(O)C(=O)NCCCCCC#N b4fedd0178359f459434e02cbe401df7 [0,2,0,0,0,0|1,0,1]=4 7404 B13R0.340 CCC(O)C(=O)NCCCCCCCl dffd98ef84bf25d927820700930f14c6 [0,2,0,0,0,0|1,0,0]=3 7405 B13R0.340 CCC(O)C(=O)NCCCCCCO 0b199e646eaee13829b42db012837f1e [0,2,0,0,0,0|1,0,0]=3 7406 B13R0.340 CCC(O)C(=O)NCCCCCOC b1306033bcca5afe3aa5b6ffa29f0412 [0,2,0,0,0,0|1,0,0]=3 7407 B13R0.340 CCC(O)C(=O)NCCCOCCO c72472fedf226b7f4428296f05c78227 [0,2,0,0,0,0|2,0,0]=4 7408 B13R0.340 CCC(O)C(=O)NCCOCCCO a91434db5496b311eeab186901e2712e [0,2,0,0,0,0|2,0,0]=4 7409 B13R0.340 CCC(O)C(=O)NCCOCCOC d11e81621d3f25bfbc4b7248a471aaf7 [0,2,0,0,0,0|2,0,0]=4 7410 B13R0.340 CCC/C=C/COCC(=O)C(C)CC bb73a73084c37cc13cdd7f4de1488b6b [0,2,0,0,0,0|0,0,2]=4 7411 B13R0.340 CCC/C=C\COCC(=O)C(C)CC 5b092a7bbcd3b218b70d4910e715d8f5 [0,2,0,0,0,0|0,0,2]=4 7412 B13R0.340 CCCC#CCOCC(=O)C(C)CC db8e80001f6ebb4e44c02adb2fffc953 [0,2,0,0,0,0|0,0,2]=4 7413 B13R0.340 CCCCCC/C=C/C(=O)N(C)CC 47873353513bb06f5ce86d214e7cabab [0,2,0,0,0,0|2,0,0]=4 7414 B13R0.340 CCCCCCCCC(=O)N(C)CC 90632a98e13d6686ede05eb4932ffccf [0,2,0,0,0,0|2,0,0]=4 7415 B13R0.340 CCCCCCCNC(=O)C(=O)CC 0e10c74afedeede919a60931ad69d212 [0,2,0,0,0,0|1,0,1]=4 7416 B13R0.340 CCCCCCCNC(=O)C(C)OC 11232c4d3d8f3931f5576e7ef8a74109 [0,2,0,0,0,0|2,0,0]=4 7417 B13R0.340 CCCCCCCNC(=O)C(C)SC 589d60eff423cda5af698343094c142d [0,2,0,0,0,0|2,0,0]=4 7418 B13R0.340 CCCCCCCNC(=O)C(O)CC 681ca70eab4d0e1da3028d625382074e [0,2,0,0,0,0|1,0,0]=3 7419 B13R0.340 CCCCCCCNC(=O)C(O)CO badad6e1b6f4f4416592bf2ec77e0b94 [0,2,0,0,0,0|2,0,0]=4 7420 B13R0.340 CCCCCCCNC(=O)N(C)CC c858aa2447b3596e9d303ad569446cae [0,2,0,0,0,0|2,0,0]=4 7421 B13R0.340 CCCCCCCNC(=O)[C@@H](C)OC 859fa5e81f6439739da74d45179b1327 [0,2,0,0,0,0|2,0,0]=4 7422 B13R0.340 CCCCCCCNC(=O)[C@@H](O)CC 0d2ebf734aa89ae555aebe01ac37fb7f [0,2,0,0,0,0|1,0,0]=3 7423 B13R0.340 CCCCCCCNC(=O)[C@@H](O)CO 19a701c92fe05ed67fd2b6b87c995fb0 [0,2,0,0,0,0|2,0,0]=4 7424 B13R0.340 CCCCCCCNC(=O)[C@@H](S)CC ecf2889cbdcdd2427d6d2be08bb7bd86 [0,2,0,0,0,0|1,0,0]=3 7425 B13R0.340 CCCCCCCNC(=O)[C@H](C)OC 14554636ad925679ed8fdbd8b241c93d [0,2,0,0,0,0|2,0,0]=4 7426 B13R0.340 CCCCCCCNC(=O)[C@H](O)CC 74fb679eaf2f759e436507d8907eec58 [0,2,0,0,0,0|1,0,0]=3 7427 B13R0.340 CCCCCCCNC(=O)[C@H](O)CF 37707369bdee32367de06eddac1f2096 [0,2,0,0,0,0|2,0,0]=4 7428 B13R0.340 CCCCCCCOC(C)C(C)CC 6c3e2752e45a81b11f0d4c88631610cd [0,2,0,0,0,0|1,0,1]=4 7429 B13R0.340 CCCCCCNCC(=O)C(C)CC 80dea3402c943379ee277077a490fb40 [0,2,0,0,0,0|1,0,0]=3 7430 B13R0.340 CCCCCCNCC(=O)N(C)CC fcd0263226eaf7d9c4a71a9ead53a834 [0,2,0,0,0,0|2,0,0]=4 7431 B13R0.340 CCCCCCOCC(=O)C(=O)OC fe4a91a430a21c1b7acd55c2e7c919c5 [0,2,0,0,0,0|1,0,1]=4 7432 B13R0.340 CCCCCCOCC(=O)C(C)CC ab17286351b233c32e684794b4a24b0a [0,2,0,0,0,0|0,0,0]=2 7433 B13R0.340 CCCCCCOCC(=O)N(C)CC ace4048fa0e5ba72d535bc08e9d4f7a1 [0,2,0,0,0,0|1,0,0]=3 7434 B13R0.340 CCCCCCOCC(C)C(S)CC 0c68cdddd0aa650c8cef20b526b1c762 [0,2,0,0,0,0|1,0,1]=4 7435 B13R0.340 CCCCOCCNC(=O)C(=O)CC 8d29d7c4546e67f3e12055cdf6311eb9 [0,2,0,0,0,0|1,0,1]=4 7436 B13R0.340 CCCCOCCNC(=O)C(C)OC 77e9e1225fe4bfbde1147d215b6a0364 [0,2,0,0,0,0|2,0,0]=4 7437 B13R0.340 CCCCOCCNC(=O)C(C)SC 7e1869b328fc4b9de7f41a31e518dad2 [0,2,0,0,0,0|2,0,0]=4 7438 B13R0.340 CCCCOCCNC(=O)C(O)CC aaa6de8bbe15821257a96fd22fab4087 [0,2,0,0,0,0|1,0,0]=3 7439 B13R0.340 CCCCOCCNC(=O)C(O)CO 1ac81b3e731fa9ffee9aad9ddf6a2a05 [0,2,0,0,0,0|2,0,0]=4 7440 B13R0.340 CCCCOCCNC(=O)N(C)CC b41ec1f22d482efbeece1a523048cabc [0,2,0,0,0,0|2,0,0]=4 7441 B13R0.340 CCCCOCCNC(=O)[C@@H](C)OC 9452c14216c13d673e3d27e4fa4d8824 [0,2,0,0,0,0|2,0,0]=4 7442 B13R0.340 CCCCOCCNC(=O)[C@@H](O)CC 83fc640da8897edf72c88d6c4a3905a7 [0,2,0,0,0,0|1,0,0]=3 7443 B13R0.340 CCCCOCCNC(=O)[C@@H](O)CO a4baed26feac2a481051b4b6e35179a4 [0,2,0,0,0,0|2,0,0]=4 7444 B13R0.340 CCCCOCCNC(=O)[C@@H](S)CC be857c2f3fc6e704324fc5ec24403fa6 [0,2,0,0,0,0|1,0,0]=3 7445 B13R0.340 CCCCOCCNC(=O)[C@H](C)OC d01651530e5b4214ed0e15609c51b165 [0,2,0,0,0,0|2,0,0]=4 7446 B13R0.340 CCCCOCCNC(=O)[C@H](O)CC 3f360cf72cf46b14127a3ba0fda362bc [0,2,0,0,0,0|1,0,0]=3 7447 B13R0.340 CCCCOCCNC(=O)[C@H](O)CF 521d1b8aebb7ed6d7526775559a8942a [0,2,0,0,0,0|2,0,0]=4 7448 B13R0.340 CCCCOCCOC(C)C(C)CC a8df42f6166a83670fded360cbe182cf [0,2,0,0,0,0|1,0,1]=4 7449 B13R0.340 CCCOCCCNC(=O)C(=O)CC 46019548f7597cc8670f3fc29279438a [0,2,0,0,0,0|1,0,1]=4 7450 B13R0.340 CCCOCCCNC(=O)C(C)OC 1986003c28f2323e30278715409d886b [0,2,0,0,0,0|2,0,0]=4 7451 B13R0.340 CCCOCCCNC(=O)C(C)SC 074e02028f7a650a4ca86d78f30a41fb [0,2,0,0,0,0|2,0,0]=4 7452 B13R0.340 CCCOCCCNC(=O)C(O)CC c285f019a0c01a1dd85a29e4374fb3b8 [0,2,0,0,0,0|1,0,0]=3 7453 B13R0.340 CCCOCCCNC(=O)C(O)CO 5debb36ac682d97a747e395f9f92d130 [0,2,0,0,0,0|2,0,0]=4 7454 B13R0.340 CCCOCCCNC(=O)N(C)CC 78865bc2781e5abf82bf16f977c925dd [0,2,0,0,0,0|2,0,0]=4 7455 B13R0.340 CCCOCCCNC(=O)[C@@H](C)OC 6039e8d11effefe1a581f145da2fb6c4 [0,2,0,0,0,0|2,0,0]=4 7456 B13R0.340 CCCOCCCNC(=O)[C@@H](O)CC 420adc432d12017b2e1638e40bd49648 [0,2,0,0,0,0|1,0,0]=3 7457 B13R0.340 CCCOCCCNC(=O)[C@@H](O)CO 3317048a876c1bce79092e918c8c340a [0,2,0,0,0,0|2,0,0]=4 7458 B13R0.340 CCCOCCCNC(=O)[C@@H](S)CC 404ac6430677536cba9d648087224c1c [0,2,0,0,0,0|1,0,0]=3 7459 B13R0.340 CCCOCCCNC(=O)[C@H](C)OC 8fdca0de6ec512c5fa745fb93199b639 [0,2,0,0,0,0|2,0,0]=4 7460 B13R0.340 CCCOCCCNC(=O)[C@H](O)CC d710d8ce4c293a09f461d3debac4b126 [0,2,0,0,0,0|1,0,0]=3 7461 B13R0.340 CCCOCCCNC(=O)[C@H](O)CF 64c0d750a616dd236a36af5c70b93320 [0,2,0,0,0,0|2,0,0]=4 7462 B13R0.340 CCCOCCCOC(C)C(C)CC 4a738b1a906161c253a256d5406a92b4 [0,2,0,0,0,0|1,0,1]=4 7463 B13R0.340 CCCOCCNCC(=O)C(C)CC a3b6cc904d57f9ebf5c94304abcadd32 [0,2,0,0,0,0|2,0,0]=4 7464 B13R0.340 CCCOCCOCC(=O)C(C)CC 4a8423a7d8bfebbdb84cda83eb4805e5 [0,2,0,0,0,0|1,0,0]=3 7465 B13R0.340 CCCOCCOCC(=O)N(C)CC d6561cca091e168471764b5249d7e74a [0,2,0,0,0,0|2,0,0]=4 7466 B13R0.340 CCCSCCOCC(=O)C(C)CC b02ea0074ab6248cc1a62865e8521c51 [0,2,0,0,0,0|1,0,0]=3 7467 B13R0.340 CCCSCCOCC(=O)N(C)CC 0c05a1fb647596e1c1dfdaf1286dbc69 [0,2,0,0,0,0|2,0,0]=4 7468 B13R0.340 CCN(C)C(=O)CCCCCCCF 0fc03e1f8ba78a15ac3f83e6f370e332 [0,2,0,0,0,0|2,0,0]=4 7469 B13R0.340 CCN(C)C(=O)CCCCCCCO b39cf0308a0d0b73ff9c8c7450074ebe [0,2,0,0,0,0|2,0,0]=4 7470 B13R0.340 CCN(C)C(=O)CCCCCCCS 200532508eb8c66e6d2d5ac9c96c8b8e [0,2,0,0,0,0|2,0,0]=4 7471 B13R0.340 CCN(C)C(=O)CCCCCCSC 7a748e1a051ef014785e30e0fe49ef3a [0,2,0,0,0,0|2,0,0]=4 7472 B13R0.340 CCN(C)C(=O)COCCCCOC f33216df079413a11b5525bdf026ced0 [0,2,0,0,0,0|2,0,0]=4 7473 B13R0.340 CCN(C)C(=O)COCCCCSC 2a580d8393de9a9a53f93fa036e0cabc [0,2,0,0,0,0|2,0,0]=4 7474 B13R0.340 CCN(C)C(=O)NCCCCCCN 43de3798012dc201f8156818f4530b66 [0,2,0,0,0,0|2,0,0]=4 7475 B13R0.340 CCN(C)C(=O)NCCCCCCO 4b2891cfb4e849950395d00029c64e8b [0,2,0,0,0,0|2,0,0]=4 7476 B13R0.340 CCN(C)C(=O)NCCCCCOC 54f5f242259bf15f03be9c584a95f683 [0,2,0,0,0,0|2,0,0]=4 7477 B13R0.340 CCOCCCNCC(=O)C(C)CC c83426a0f88659296eddc19ad6ffdda0 [0,2,0,0,0,0|2,0,0]=4 7478 B13R0.340 CCOCCCOCC(=O)C(C)CC a950466463b00278f535301c869a27bb [0,2,0,0,0,0|1,0,0]=3 7479 B13R0.340 CCOCCCOCC(=O)N(C)CC ba6c1a4e516a68c17d47dbbae8611e50 [0,2,0,0,0,0|2,0,0]=4 7480 B13R0.340 CCSCCCCNC(=O)C(=O)CC e2620759a12d445365c3dc963528cdb9 [0,2,0,0,0,0|1,0,1]=4 7481 B13R0.340 CCSCCCCNC(=O)C(C)OC 2e7b5e02bbbdb279b453ac49beee8de6 [0,2,0,0,0,0|2,0,0]=4 7482 B13R0.340 CCSCCCCNC(=O)C(C)SC 03777d374700a061d3b74fe35e25496b [0,2,0,0,0,0|2,0,0]=4 7483 B13R0.340 CCSCCCCNC(=O)C(O)CC 4c95eb6132badb561bfb35d67948125b [0,2,0,0,0,0|1,0,0]=3 7484 B13R0.340 CCSCCCCNC(=O)C(O)CO b0650ea461e6892213cc10cb920c554b [0,2,0,0,0,0|2,0,0]=4 7485 B13R0.340 CCSCCCCNC(=O)N(C)CC a8c87c62dceb9e353b385437a325b7e3 [0,2,0,0,0,0|2,0,0]=4 7486 B13R0.340 CCSCCCCNC(=O)[C@@H](C)OC e5a96d8774aa8536c8e25febfdcd8472 [0,2,0,0,0,0|2,0,0]=4 7487 B13R0.340 CCSCCCCNC(=O)[C@@H](O)CC fed02f02be83650421231d8ed05856a7 [0,2,0,0,0,0|1,0,0]=3 7488 B13R0.340 CCSCCCCNC(=O)[C@@H](O)CO edf7a46f92f76f23e677a7893b5ce28c [0,2,0,0,0,0|2,0,0]=4 7489 B13R0.340 CCSCCCCNC(=O)[C@@H](S)CC 31ff610bbce74fb99df09001baed6aad [0,2,0,0,0,0|1,0,0]=3 7490 B13R0.340 CCSCCCCNC(=O)[C@H](C)OC bd87563c7cc1aebc1d4f96f9fe9dcd51 [0,2,0,0,0,0|2,0,0]=4 7491 B13R0.340 CCSCCCCNC(=O)[C@H](O)CC fc5800cc2db5f52f03665caa2dd4e756 [0,2,0,0,0,0|1,0,0]=3 7492 B13R0.340 CCSCCCCNC(=O)[C@H](O)CF efd24fdc02df034a5be040473a74947f [0,2,0,0,0,0|2,0,0]=4 7493 B13R0.340 CCSCCCOCC(=O)C(C)CC bd190a6831206c4d5821e839409f3e39 [0,2,0,0,0,0|1,0,0]=3 7494 B13R0.340 CCSCCCOCC(=O)N(C)CC eac6a8c5efe79ce028748f485086795d [0,2,0,0,0,0|2,0,0]=4 7495 B13R0.340 CC[C@@H](O)C(=O)NCCCCCC#N 7bedf33aefd28151ef1d541c6e1f16c1 [0,2,0,0,0,0|1,0,1]=4 7496 B13R0.340 CC[C@@H](O)C(=O)NCCCCCCCl ddb48fee06be20ba445778eb012e4b3c [0,2,0,0,0,0|1,0,0]=3 7497 B13R0.340 CC[C@@H](O)C(=O)NCCCCCCO 22c0313a00f23e245b845c5d72ef208c [0,2,0,0,0,0|1,0,0]=3 7498 B13R0.340 CC[C@@H](O)C(=O)NCCCCCOC d3ba3be406ed9a5fb14dc59488d6b2de [0,2,0,0,0,0|1,0,0]=3 7499 B13R0.340 CC[C@@H](O)C(=O)NCCCOCCO ea7b63df8541306619a0c21fcb0af2c4 [0,2,0,0,0,0|2,0,0]=4 7500 B13R0.340 CC[C@@H](O)C(=O)NCCOCCCO ce1d4b3789767da194b6a793e4c44a86 [0,2,0,0,0,0|2,0,0]=4 7501 B13R0.340 CC[C@@H](O)C(=O)NCCOCCOC 15a3c37914e46bd63f4bda970c4bad9d [0,2,0,0,0,0|2,0,0]=4 7502 B13R0.340 CC[C@H](O)C(=O)NCCCCCC#N 6c28c294308697eb1599b837fa0c6111 [0,2,0,0,0,0|1,0,1]=4 7503 B13R0.340 CC[C@H](O)C(=O)NCCCCCCCl 2826ef82a1c2abfca005c5e8e90921eb [0,2,0,0,0,0|1,0,0]=3 7504 B13R0.340 CC[C@H](O)C(=O)NCCCCCCO 0fa1829614bf34ee0193b691c97d11f5 [0,2,0,0,0,0|1,0,0]=3 7505 B13R0.340 CC[C@H](O)C(=O)NCCCCCOC 84608af8cd6fcc2c3df0faa1bdd8f8b1 [0,2,0,0,0,0|1,0,0]=3 7506 B13R0.340 CC[C@H](O)C(=O)NCCCOCCO 49d1aa53d473c6f75a4e88e0c6ee533e [0,2,0,0,0,0|2,0,0]=4 7507 B13R0.340 CC[C@H](O)C(=O)NCCOCCCO 54ca4f662450f942f47fe7ef46e23080 [0,2,0,0,0,0|2,0,0]=4 7508 B13R0.340 CC[C@H](O)C(=O)NCCOCCOC 35b8bdeb6727a7919abe01d830f64c02 [0,2,0,0,0,0|2,0,0]=4 7509 B13R0.340 CC[C@H](S)C(=O)NCCCCCC#N f68c167dedf4690fba57f3ad405dba6a [0,2,0,0,0,0|1,0,1]=4 7510 B13R0.340 CC[C@H](S)C(=O)NCCCCCCCl dad9bf8789d710bdf89477089f1b2ec1 [0,2,0,0,0,0|1,0,0]=3 7511 B13R0.340 CC[C@H](S)C(=O)NCCCCCCO 7fc50cb14437ba1e26d04f3159970e42 [0,2,0,0,0,0|1,0,0]=3 7512 B13R0.340 CC[C@H](S)C(=O)NCCCCCOC 504f959587865cde731702b3139f0202 [0,2,0,0,0,0|1,0,0]=3 7513 B13R0.340 CC[C@H](S)C(=O)NCCCOCCO 4d71c8e123498fb9347fae84722b2442 [0,2,0,0,0,0|2,0,0]=4 7514 B13R0.340 CC[C@H](S)C(=O)NCCOCCCO 1328781ffade6a1f4650bfbe2e3a9ef7 [0,2,0,0,0,0|2,0,0]=4 7515 B13R0.340 CC[C@H](S)C(=O)NCCOCCOC 2a773df4bfd63b846e382e16fa7a864b [0,2,0,0,0,0|2,0,0]=4 7516 B13R0.340 COC(C)C(=O)NCCCCCCCl b991a8b012c32f0e1ede1a7091f4ddbf [0,2,0,0,0,0|2,0,0]=4 7517 B13R0.340 COC(C)C(=O)NCCCCCCO 9fb4142a7efd43406f2512ad236c5520 [0,2,0,0,0,0|2,0,0]=4 7518 B13R0.340 COCCCCCNC(=O)C(C)OC 18a7ae22851ff2226099907258138fa4 [0,2,0,0,0,0|2,0,0]=4 7519 B13R0.340 COCCCCCNC(=O)C(C)SC 0f536da6d96f7fb7f06276c8ca283566 [0,2,0,0,0,0|2,0,0]=4 7520 B13R0.340 COCCCCCNC(=O)C(O)CO 7d060495f407307e16ab27a429b600e2 [0,2,0,0,0,0|2,0,0]=4 7521 B13R0.340 COCCCCCNC(=O)[C@@H](C)OC e44cec4e0b75248792fe5de4398ae288 [0,2,0,0,0,0|2,0,0]=4 7522 B13R0.340 COCCCCCNC(=O)[C@@H](O)CO 77d805f0cd9ab44258ae7e1768fefc2d [0,2,0,0,0,0|2,0,0]=4 7523 B13R0.340 COCCCCCNC(=O)[C@H](C)OC d0c99fc06a039fb9d3fe6ae8f2ed88c2 [0,2,0,0,0,0|2,0,0]=4 7524 B13R0.340 COCCCCCNC(=O)[C@H](O)CF 542656652d2ace05dc3165a998024288 [0,2,0,0,0,0|2,0,0]=4 7525 B13R0.340 CO[C@@H](C)C(=O)NCCCCCCCl 39a0af9b59bce0bfdb87959199f9f83a [0,2,0,0,0,0|2,0,0]=4 7526 B13R0.340 CO[C@@H](C)C(=O)NCCCCCCO f7ee578296ff4ab1328e31a3fd9c6109 [0,2,0,0,0,0|2,0,0]=4 7527 B13R0.340 CO[C@H](C)C(=O)NCCCCCCCl e35cb06107d8edf899cdb3438833feba [0,2,0,0,0,0|2,0,0]=4 7528 B13R0.340 CO[C@H](C)C(=O)NCCCCCCO 7ff8812188568c0eed88c7de70b8afea [0,2,0,0,0,0|2,0,0]=4 7529 B13R0.340 CSC(C)C(=O)NCCCCCCCl fb7ea84e808af9e2fb8b52ceecec2cd9 [0,2,0,0,0,0|2,0,0]=4 7530 B13R0.340 CSC(C)C(=O)NCCCCCCO 750736562a1f214e292210f076bb0f2f [0,2,0,0,0,0|2,0,0]=4 7531 B13R0.340 O=C(NCCCCCCCl)C(O)CO 97caf45128d11fcbcbbde60849cfbe7d [0,2,0,0,0,0|2,0,0]=4 7532 B13R0.340 O=C(NCCCCCCCl)[C@@H](O)CO 09c98b2ed89b925fce2e4bb6e754ed1c [0,2,0,0,0,0|2,0,0]=4 7533 B13R0.340 O=C(NCCCCCCCl)[C@H](O)CF 6893964d3936a9e88c182e81256df1fd [0,2,0,0,0,0|2,0,0]=4 7534 B13R0.340 O=C(NCCCCCCO)C(O)CO b73f88abcc176c11d92998da769eb29b [0,2,0,0,0,0|2,0,0]=4 7535 B13R0.340 O=C(NCCCCCCO)[C@@H](O)CO a0b3656938b0d212eaa6e03218ea38a6 [0,2,0,0,0,0|2,0,0]=4 7536 B13R0.340 O=C(NCCCCCCO)[C@H](O)CF ecc7bc69ba695eb647fe661805b2ee3c [0,2,0,0,0,0|2,0,0]=4 7537 B13R0.367 C=CCC(C)COCOC(=O)CCC 5065a522449cc6ecf36806a3a01a0784 [0,2,0,0,0,0|0,0,2]=4 7538 B13R0.367 C=CCC(O)CNCOC(=O)CCC 2f36b4bf8c52343ec064f639ee2fb50c [0,2,0,0,0,0|0,0,2]=4 7539 B13R0.367 CCCC(=O)COCCC(=O)OCC 32f0c0b5d1451d0e878125224894f7ba [0,2,0,0,0,0|1,0,1]=4 7540 B13R0.367 CCCC(=O)COCCC(C)CCC 59dca3b5941eab018410211704a89284 [0,2,0,0,0,0|0,0,0]=2 7541 B13R0.367 CCCC(=O)COCCC(S)CCC b0dac7abd29043daf3e6ee6812c8f05c [0,2,0,0,0,0|0,0,0]=2 7542 B13R0.367 CCCC(=O)NCCCC(=O)OCC fba5e0da803a9ca34fb4feb328b53dfd [0,2,0,0,0,0|1,0,1]=4 7543 B13R0.367 CCCC(=O)NCCCN(C)CCO a5d650972835e0bb766ec762369f79cd [0,2,0,0,0,0|2,0,0]=4 7544 B13R0.367 CCCC(=O)OCCOC(C)CC#N b5bc2f146345ab50bad7e20f88580660 [0,2,0,0,0,0|1,0,1]=4 7545 B13R0.367 CCCC(=O)OCCOC(C)CCC b3ed9260c1ee6add4f76b4373bffcf11 [0,2,0,0,0,0|0,0,0]=2 7546 B13R0.367 CCCC(=O)OCCOC(C)COC 8a1ce04a84d94c959b1b380170f6235f [0,2,0,0,0,0|1,0,0]=3 7547 B13R0.367 CCCC(=O)OCNCC(=O)NCC c617f3d3c854ac71d534e9ae0dc559a9 [0,2,0,0,0,0|1,0,1]=4 7548 B13R0.367 CCCC(=O)OCNCC(=O)OCC 0a6570ee9722b0ce8ed385aaea06d70e [0,2,0,0,0,0|1,0,1]=4 7549 B13R0.367 CCCC(=O)OCNCC(C)CCO 311aa022e640f5a86eaec9a89d4bcd21 [0,2,0,0,0,0|1,0,0]=3 7550 B13R0.367 CCCC(=O)OCNCC(C)OCC 5d09ae6030571b359329064898290be1 [0,2,0,0,0,0|1,0,0]=3 7551 B13R0.367 CCCC(=O)OCNCC(O)CCC 75201328fe0f730eb6c2bf12523a1964 [0,2,0,0,0,0|0,0,0]=2 7552 B13R0.367 CCCC(=O)OCNCC(O)COC 2e267bc43aa4678b0de9757ce4df375c [0,2,0,0,0,0|1,0,0]=3 7553 B13R0.367 CCCC(=O)OCNC[C@H](O)COC c9a28f5b4939c341e65682cffcee803c [0,2,0,0,0,0|1,0,0]=3 7554 B13R0.367 CCCC(=O)OCOCC(=O)NCC 70d88ba5a94b2b2151c55aed284cf583 [0,2,0,0,0,0|1,0,1]=4 7555 B13R0.367 CCCC(=O)OCOCC(=O)OCC 6539573fb335fd47d1908fb896f7c5f4 [0,2,0,0,0,0|1,0,1]=4 7556 B13R0.367 CCCC(=O)OCOCC(C)CCC b4e57a6106604869a1c05306c1fc48a1 [0,2,0,0,0,0|0,0,0]=2 7557 B13R0.367 CCCC(=O)OCOCC(C)OCC b8ba2c5e8862ab1ebc28eb4b40f9dbf2 [0,2,0,0,0,0|1,0,0]=3 7558 B13R0.367 CCCC(=S)OCCCC(=O)OCC 689bd97ae65c689831ad5bd45f0e3795 [0,2,0,0,0,0|0,1,1]=4 7559 B13R0.367 CCCC(C)CCCOC(C)CCC 2db2fac4f180df4d43d537df07833b43 [0,2,0,0,0,0|1,0,1]=4 7560 B13R0.367 CCCC(C)CCOCC(=O)COC 6e4090bfb3affc994250cc83d9ca68e5 [0,2,0,0,0,0|1,0,0]=3 7561 B13R0.367 CCCC(C)CCOCC(=O)NCC 094e6c47f3f2f94c1386960a461fa64c [0,2,0,0,0,0|1,0,0]=3 7562 B13R0.367 CCCC(C)CCOCC(=O)OCC 25a00036b65e47cdb3959c2e897a3626 [0,2,0,0,0,0|1,0,0]=3 7563 B13R0.367 CCCC(C)CCOCC(C)CCC 924a68871d988f9598e572a59e9fe4f9 [0,2,0,0,0,0|1,0,1]=4 7564 B13R0.367 CCCC(C)CNCCC(=O)OCC 246fb3d36e777c14477ca26833c762fe [0,2,0,0,0,0|2,0,0]=4 7565 B13R0.367 CCCC(C)COCCC(=O)NCC 254dc93d9f3eda5948d06442d4b96927 [0,2,0,0,0,0|2,0,0]=4 7566 B13R0.367 CCCC(C)COCCC(=O)OCC 0a11f50bd49b99483c0ab509d03f8357 [0,2,0,0,0,0|2,0,0]=4 7567 B13R0.367 CCCC(C)COCCC(S)CCC be7eae44374117fd67fbcf5baafc6f4d [0,2,0,0,0,0|1,0,1]=4 7568 B13R0.367 CCCC(C)COCOC(=O)OCC 650393f90b1af8f8da516ecc3198cb02 [0,2,0,0,0,0|1,0,0]=3 7569 B13R0.367 CCCC(C)NCCCC(=O)OCC 2d0a1a9d6272002022c18ba90658b4ae [0,2,0,0,0,0|2,0,0]=4 7570 B13R0.367 CCCC(C)OCCCC(=O)OCC 8983adb012156f74ced994055e33767f [0,2,0,0,0,0|2,0,0]=4 7571 B13R0.367 CCCC(O)CNCCC(=O)NCC 81e39f827e5db8b17e9d2cc142f47b2b [0,2,0,0,0,0|2,0,0]=4 7572 B13R0.367 CCCC(O)CNCCC(=O)OCC 1df50dd9d9f39958e222f3314871fbe8 [0,2,0,0,0,0|2,0,0]=4 7573 B13R0.367 CCCC(O)CNCOC(=O)OCC e6a16de92118c74cca6c36462daaf99c [0,2,0,0,0,0|1,0,0]=3 7574 B13R0.367 CCCC(O)CNCOC(=O)SCC 362e3ef0c172baede4f2ab39389ef212 [0,2,0,0,0,0|1,0,0]=3 7575 B13R0.367 CCCC(S)CCOCC(=O)COC 887ad3957eedba8399c5f0cdc34cef46 [0,2,0,0,0,0|1,0,0]=3 7576 B13R0.367 CCCC(S)CCOCC(=O)NCC 7868417be77e368d2c3c4da9c7f3061e [0,2,0,0,0,0|1,0,0]=3 7577 B13R0.367 CCCC(S)CCOCC(=O)OCC db6d1a7c2538897c67ca469d7d2d0f36 [0,2,0,0,0,0|1,0,0]=3 7578 B13R0.367 CCCN(C)CCCCC(=O)OCC 5deac78682e027c5a44bc994c0c6cc82 [0,2,0,0,0,0|2,0,0]=4 7579 B13R0.367 CCC[C@@H](C)OCCCC(=O)OCC 042f529b8e88fa6b71c12938158d4220 [0,2,0,0,0,0|2,0,0]=4 7580 B13R0.367 CCC[C@H](C)NCCCC(=O)OCC 8b5c1c29923b8ab3c89e2a0c87907a8a [0,2,0,0,0,0|2,0,0]=4 7581 B13R0.367 CCC[C@H](C)OCCCC(=O)OCC 22bba47eb09a6f92c1c851ddd652bea1 [0,2,0,0,0,0|2,0,0]=4 7582 B13R0.367 CCOC(=O)OCNCC(C)CCO bc53bff1639c6fa68f1c6d729d85b587 [0,2,0,0,0,0|2,0,0]=4 7583 B13R0.367 CCOC(=O)OCNCC(C)OCC 188b2a0448dc76cbc7d4c30b33aa5cbe [0,2,0,0,0,0|2,0,0]=4 7584 B13R0.367 CCOC(=O)OCNCC(O)COC aa49ebe6c3b9ddf7da0c97c88a335c23 [0,2,0,0,0,0|2,0,0]=4 7585 B13R0.367 CCOC(=O)OCNC[C@H](O)COC a6ad29d6421aa50f108b2dcca32750ec [0,2,0,0,0,0|2,0,0]=4 7586 B13R0.367 CCOC(=O)OCOCC(C)OCC 07598328c17895ca941cdf37776739d6 [0,2,0,0,0,0|2,0,0]=4 7587 B13R0.367 CCOC(C)CNCOC(=O)SCC 98b3c5e24d0b41c6ce458196e60948a0 [0,2,0,0,0,0|2,0,0]=4 7588 B13R0.367 CCOC(C)COCOC(=O)SCC 2c9a6b596f41bd71a6e43b254b905018 [0,2,0,0,0,0|2,0,0]=4 7589 B13R0.367 CCSC(=O)OCNCC(C)CCO 226959e8fd498ced2b6da1307bd09719 [0,2,0,0,0,0|2,0,0]=4 7590 B13R0.367 CCSC(=O)OCNCC(O)COC fb208d0ecc57602ec4dd9f9d80a5972a [0,2,0,0,0,0|2,0,0]=4 7591 B13R0.367 CCSC(=O)OCNC[C@H](O)COC 275dabef990796ee349a8d3dee803884 [0,2,0,0,0,0|2,0,0]=4 7592 B13R0.367 CCSC(=O)OCOCC(C)COC 830d0ce24a9403da11fb8fdcec3bb778 [0,2,0,0,0,0|2,0,0]=4 7593 B13R0.367 CCSC(=O)OCOC[C@@H](C)COC e16f51302e8421625696512d74dbceff [0,2,0,0,0,0|2,0,0]=4 7594 B13R0.1338 CCCNCCCCS(=O)(=O)CCC f915a62b8a6eb52a46ae46f2614fa333 [0,2,0,0,0,0|2,0,0]=4 7595 B13R0.62 C#CC(CC(C)C)OCCCCCC 40ab7d98eb5c1ff7b7e6d07cf780243a [0,2,0,0,0,0|1,0,1]=4 7596 B13R0.62 C=CC(CC(C)C)OCCCCCC f983d4d5a99d6246d891100da5f43dc5 [0,2,0,0,0,0|1,0,1]=4 7597 B13R0.62 CCCCCCOC(C#N)CC(C)C 33480de857c8c44299dd5ed9dd3a3269 [0,2,0,0,0,0|1,0,1]=4 7598 B13R0.115 C=C(C)CC(=O)NCC(O)CCCC 9229a4f3ae625f1a9dcc9ef56408dd30 [0,2,0,0,0,0|1,0,1]=4 7599 B13R0.115 CC(C)CC(=O)NC[C@H](C)CCCO 8e7f3bbe0ab9fc951efbee5fbdea9a5f [0,2,0,0,0,0|2,0,0]=4 7600 B13R0.115 CC(C)CC(=O)OCN(C)CCCO 393bb77c6180563e831735825bf88a1f [0,2,0,0,0,0|2,0,0]=4 7601 B13R0.115 CC(O)CC(=O)NC[C@H](C)CCCO dd3cabd30604ecd7325fb9aa7488d154 [0,2,0,0,0,0|2,0,0]=4 7602 B13R0.115 CCCCC(C)COC(C)CC(C)C 7bd13f92b9dac170969b5063bbd1c6d9 [0,2,0,0,0,0|1,0,1]=4 7603 B13R0.115 CCCCC(C)NCC(=O)CC(C)C 76340791d58bdfaf46b5e6a55a650aa6 [0,2,0,0,0,0|2,0,0]=4 7604 B13R0.115 CCCCC(C)OCC(=O)CC(C)C 499b1d1e6f679e28ba54bf24607aa286 [0,2,0,0,0,0|2,0,0]=4 7605 B13R0.115 CCCCC(O)CNC(=O)CC(=O)C 5d46f78283e5ec65da033457484e89c6 [0,2,0,0,0,0|1,0,1]=4 7606 B13R0.115 CCCCC(O)CNC(=O)CC(C)C 77694caf845d53f29b22281662b9b70f [0,2,0,0,0,0|1,0,0]=3 7607 B13R0.115 CCCCC(O)CNC(=O)CC(C)O 905f55345fadfbcac2a6f39b5cee6c0b [0,2,0,0,0,0|1,0,0]=3 7608 B13R0.115 CCCCC(O)CNC(=O)CC(F)F d8ad840ceb541a6e11b763a0a7f44477 [0,2,0,0,0,0|2,0,0]=4 7609 B13R0.115 CCCCC(O)CNC(=O)CN(C)C d4e3e182b860b995954153862967e0e7 [0,2,0,0,0,0|2,0,0]=4 7610 B13R0.115 CCCCC(O)CNC(=O)C[C@@H](C)O 68eedd4b4c997d059a8d78c04356e2ac [0,2,0,0,0,0|1,0,0]=3 7611 B13R0.115 CCCCC(O)CNC(=O)C[C@H](C)O d6df94b19f43f0093894a37880639778 [0,2,0,0,0,0|1,0,0]=3 7612 B13R0.115 CCCCN(C)COC(=O)CC(C)C ab55dcb3068934e445d93250c94bf13f [0,2,0,0,0,0|1,0,0]=3 7613 B13R0.115 CCCCN(C)COC(=O)OC(C)C d039bc0d9853340676db015341d419bc [0,2,0,0,0,0|2,0,0]=4 7614 B13R0.115 CCCC[C@@H](C)NCC(=O)CC(C)C 55fbbbd51a4afb72a69ea003490fe4b4 [0,2,0,0,0,0|2,0,0]=4 7615 B13R0.115 CCCC[C@@H](C)OCC(=O)CC(C)C 83575cf5b6929e8791379221be4b210a [0,2,0,0,0,0|2,0,0]=4 7616 B13R0.115 CCCC[C@H](C)OCC(=O)CC(C)C a16f8ff8ab8d69bbfbe9ff6348b419d5 [0,2,0,0,0,0|2,0,0]=4 7617 B13R0.115 CCOCC(O)CNC(=O)CC(C)C 703f649246aced0f83e09b918dd6cb90 [0,2,0,0,0,0|2,0,0]=4 7618 B13R0.115 CCOCC(O)CNC(=O)CC(C)O b0bfb818d542615f32622e4cc82e3a59 [0,2,0,0,0,0|2,0,0]=4 7619 B13R0.115 CCOCC(O)CNC(=O)C[C@@H](C)O 3f518a2ec5a373cf8db451849e36c46d [0,2,0,0,0,0|2,0,0]=4 7620 B13R0.115 CCOCC(O)CNC(=O)C[C@H](C)O 4049ddb25dcef4d58c34c979c26747aa [0,2,0,0,0,0|2,0,0]=4 7621 B13R0.115 COCCN(C)COC(=O)CC(C)C 1d4554ae30708c397f9d205ef44635c3 [0,2,0,0,0,0|2,0,0]=4 7622 B13R0.115 CSCCN(C)COC(=O)CC(C)C 715144d2cf360885a0e4bed8f5332f6b [0,2,0,0,0,0|2,0,0]=4 7623 B13R0.115 C[C@H](CCCO)CNC(=O)C[C@@H](C)O fba624fef17fe54f9d0aa493d22db443 [0,2,0,0,0,0|2,0,0]=4 7624 B13R0.115 C[C@H](CCCO)CNC(=O)C[C@H](C)O b37242b9d44af6f134bb00c24c305c8a [0,2,0,0,0,0|2,0,0]=4 7625 B13R0.178 C=C(C)CCNCOC(=O)CC(C)C c32f7edf9409bdeb5573abe242882ac3 [0,2,0,0,0,0|1,0,1]=4 7626 B13R0.178 C=C(C)CCOCOC(=O)CC(C)C eec93f7a499ea7d6c5ec9f5c99603965 [0,2,0,0,0,0|1,0,1]=4 7627 B13R0.178 CC(=O)CC(=O)OCCNCC(C)C abb00b39558619d7507f45fed0df7274 [0,2,0,0,0,0|1,0,1]=4 7628 B13R0.178 CC(=O)CC(=O)OCCNCC(C)O 9f79f204bdd8722d3a7c13cd144428df [0,2,0,0,0,0|1,0,1]=4 7629 B13R0.178 CC(=O)CC(=O)OCCNC[C@@H](C)O 36c83180c8d1d87c3a51afa509e0dfca [0,2,0,0,0,0|1,0,1]=4 7630 B13R0.178 CC(=O)CC(=O)OCCNC[C@H](C)O 40c465d4e72e58f8673b43d22f46ea54 [0,2,0,0,0,0|1,0,1]=4 7631 B13R0.178 CC(=O)CC(=O)OCCOCC(C)C 7bd386f983d475ed159d4edc0ad972de [0,2,0,0,0,0|1,0,1]=4 7632 B13R0.178 CC(=O)CC(=O)OCCOCC(C)F 4076a79228b93f26ec9d3a3009efa8ec [0,2,0,0,0,0|1,0,1]=4 7633 B13R0.178 CC(=O)CC(=O)OCCOCC(C)S f11c752404640399ffd7a3794ed7db33 [0,2,0,0,0,0|1,0,1]=4 7634 B13R0.178 CC(=O)CC(=O)OCCOC[C@@H](C)F 9bb504fcbf2b4f3ce1cd5274039b78b0 [0,2,0,0,0,0|1,0,1]=4 7635 B13R0.178 CC(=O)CC(=O)OCCOC[C@H](C)F b628daba6bd37317f340e5c686eef95d [0,2,0,0,0,0|1,0,1]=4 7636 B13R0.178 CC(=O)CCOCOC(=O)CC(C)C dec2866579d402df8b451ce668a273ad [0,2,0,0,0,0|1,0,1]=4 7637 B13R0.178 CC(C)CC(=O)NCCCCC(F)F 9a82178f6406bbb5e077d270b093956a [0,2,0,0,0,0|2,0,0]=4 7638 B13R0.178 CC(C)CC(=O)NCCCCN(C)C ec2c1fb4ada862bf2780e78ba9a614f6 [0,2,0,0,0,0|2,0,0]=4 7639 B13R0.178 CC(C)CC(=O)NCCCOC(C)C bebfee70e0ae63b3086bc6c29195b74e [0,2,0,0,0,0|2,0,0]=4 7640 B13R0.178 CC(C)CC(=O)NCCCSC(C)C c5cafe8ae0e206c186ccd8b23e25f202 [0,2,0,0,0,0|2,0,0]=4 7641 B13R0.178 CC(C)CC(=O)OCNCCC(C)O b278c610cb2bab53e6f680403bebb8be [0,2,0,0,0,0|1,0,0]=3 7642 B13R0.178 CC(C)CC(=O)OCNCCC(F)F 9eed2777cd01d002df9c1e061a2c2c0b [0,2,0,0,0,0|2,0,0]=4 7643 B13R0.178 CC(C)CC(=O)OCNCCN(C)C 6f5e70fedf6774da9ba68f66aac0574c [0,2,0,0,0,0|2,0,0]=4 7644 B13R0.178 CC(C)CC(=O)OCNCCS(=O)C 7254f3a9153a5e45c9d46b5fc86be966 [0,2,0,0,0,0|2,0,0]=4 7645 B13R0.178 CC(C)CC(=O)OCNCC[C@@H](C)O a7a06a273f80d70d2a3038d0d68b6499 [0,2,0,0,0,0|1,0,0]=3 7646 B13R0.178 CC(C)CC(=O)OCNCC[C@H](C)O 78cd28ef79634ce95ad6bd2772d3e9b4 [0,2,0,0,0,0|1,0,0]=3 7647 B13R0.178 CC(C)CC(=O)OCOCCC(F)F 7f84a372267639556f8e8c877c337eeb [0,2,0,0,0,0|2,0,0]=4 7648 B13R0.178 CC(C)CC(=O)OCOCCN(C)C 2dcd67df5b4a6e2faf8c874195a7e210 [0,2,0,0,0,0|2,0,0]=4 7649 B13R0.178 CC(C)CC(=O)OCOCCS(=O)C 907f767624edfb529988fd282cb71444 [0,2,0,0,0,0|2,0,0]=4 7650 B13R0.178 CC(C)CCCCOC(C)CC(C)C ceef71776604afacbaa54311567b0386 [0,2,0,0,0,0|1,0,1]=4 7651 B13R0.178 CC(C)CCCCO[C@@H](C)CC(C)C 6f5b875513444c1564cb429b54410561 [0,2,0,0,0,0|1,0,1]=4 7652 B13R0.178 CC(C)CCCCO[C@H](C)CC(C)C 2f3b9f66f15338f2cd57298d433141cc [0,2,0,0,0,0|1,0,1]=4 7653 B13R0.178 CC(C)CCCNCC(=O)CC(C)C d20a3238cee1d13099486a54a589e1c2 [0,2,0,0,0,0|2,0,0]=4 7654 B13R0.178 CC(C)CCCOCC(=O)CC(C)C 1ed6c501de65dadc9aa384ab1e8fe1de [0,2,0,0,0,0|2,0,0]=4 7655 B13R0.178 CC(C)CCNCOC(=O)CC(C)C 96be2e4944bdf612f63ea47d79cb4504 [0,2,0,0,0,0|1,0,0]=3 7656 B13R0.178 CC(C)CCNCOC(=O)OC(C)C 71f6e386f61bcf47ac15dbb4b7103bb9 [0,2,0,0,0,0|2,0,0]=4 7657 B13R0.178 CC(C)CCOCOC(=O)CC(C)C 88b0b60e696a0a2a57b958f840bcab13 [0,2,0,0,0,0|1,0,0]=3 7658 B13R0.178 CC(C)CCOCOC(=O)OC(C)C e6607a353528cfdc326c671bbb751879 [0,2,0,0,0,0|2,0,0]=4 7659 B13R0.178 CC(C)OC(=O)OCNCC[C@@H](C)O ff7ae5118dc653973a88ef9a0d890d91 [0,2,0,0,0,0|2,0,0]=4 7660 B13R0.178 CC(C)OC(=O)OCNCC[C@H](C)O 524e8cfa6ad1b5661ccf44c9139d2926 [0,2,0,0,0,0|2,0,0]=4 7661 B13R0.178 CC(C)OCCCNC(=O)C[C@@H](C)O 0d927bcedb108327bef011bdb4b07628 [0,2,0,0,0,0|2,0,0]=4 7662 B13R0.178 CC(C)OCCCNC(=O)C[C@H](C)O 7710c65f04fbf1a1e28680a0b5326dcd [0,2,0,0,0,0|2,0,0]=4 7663 B13R0.178 CC(C)SCCCNC(=O)C[C@@H](C)O 27e814a4ac84ece1d1eb0d1616e9dfe6 [0,2,0,0,0,0|2,0,0]=4 7664 B13R0.178 CC(C)SCCCNC(=O)C[C@H](C)O 5973906459d28e90f6ba7ec6a937db9b [0,2,0,0,0,0|2,0,0]=4 7665 B13R0.178 CC(O)CC(=O)NCCCCC(F)F 1a7b2d6fb5f03158cf2df964ad9a65db [0,2,0,0,0,0|2,0,0]=4 7666 B13R0.178 CC(O)CC(=O)NCCCCN(C)C e9889c3b9f05e2151a55723bba15b26a [0,2,0,0,0,0|2,0,0]=4 7667 B13R0.178 CC(O)CC(=O)NCCCOC(C)C e5e9b7cf8845051de259b933786ba774 [0,2,0,0,0,0|2,0,0]=4 7668 B13R0.178 CC(O)CC(=O)NCCCSC(C)C 41f440655606fa22f652bc6457299f96 [0,2,0,0,0,0|2,0,0]=4 7669 B13R0.178 CC(O)CCNCOC(=O)OC(C)C d2e06329e035364b8043d6a4300ea24c [0,2,0,0,0,0|2,0,0]=4 7670 B13R0.178 C[C@@H](O)CC(=O)NCCCCC(F)F cea487a603cf94f3b5e55785abbcc02d [0,2,0,0,0,0|2,0,0]=4 7671 B13R0.178 C[C@@H](O)CC(=O)NCCCCN(C)C e19f437cc96a73ba6ac2c9d5b9367cc9 [0,2,0,0,0,0|2,0,0]=4 7672 B13R0.178 C[C@H](O)CC(=O)NCCCCC(F)F 1070a1d1fe380c7c40967e33a42d8335 [0,2,0,0,0,0|2,0,0]=4 7673 B13R0.178 C[C@H](O)CC(=O)NCCCCN(C)C 8fa596a2990e2bb392c10a331a1f437c [0,2,0,0,0,0|2,0,0]=4 7674 B13R0.198 CC(C)CC(=O)NCCCC(C)CO b0bd33e22f6b8cd8cefffce3fd331a0b [0,2,0,0,0,0|2,0,0]=4 7675 B13R0.198 CC(C)CC(=O)OCNCC(Br)CBr 447a245bd435e0fe475c1053f813cc67 [0,2,0,0,0,0|2,0,0]=4 7676 B13R0.198 CC(C)CC(=O)OCNCC(C)CO 32cf8f446dce30bcf178fd28a3fc019f [0,2,0,0,0,0|2,0,0]=4 7677 B13R0.198 CC(C)CC(=O)OCNCC(F)CO d357ff31cedc985b5e680b5282c7f349 [0,2,0,0,0,0|2,0,0]=4 7678 B13R0.198 CC(C)CC(=O)OCNCC(O)CO 4a476256b7cb7256e9534da075836a9d [0,2,0,0,0,0|2,0,0]=4 7679 B13R0.198 CC(C)CC(=O)OCNC[C@@H](F)CO d7d16ff7a43f734133ec4ecfde1cf26a [0,2,0,0,0,0|2,0,0]=4 7680 B13R0.198 CC(C)CC(=O)OCNC[C@@H](O)CO 6a03f982b20e8b96bcf40b8e64bedd72 [0,2,0,0,0,0|2,0,0]=4 7681 B13R0.198 CC(C)CC(=O)OCNC[C@H](C)CO 6bc4b492bb026dbf963f496515bc0740 [0,2,0,0,0,0|2,0,0]=4 7682 B13R0.198 CC(C)CC(=O)OCNC[C@H](F)CO 51a06c117f8a89e39d715a8ac43113a3 [0,2,0,0,0,0|2,0,0]=4 7683 B13R0.198 CC(C)CC(=O)OCNC[C@H](O)CO 5c96e7075ccb09cb4f38856aa7775467 [0,2,0,0,0,0|2,0,0]=4 7684 B13R0.198 CC(C)CC(=O)OCOCC(Br)CBr 4259a0e5de2c5c2af396c0415a6ddad7 [0,2,0,0,0,0|2,0,0]=4 7685 B13R0.198 CC(C)CC(=O)OCOCC(Cl)CCl 2f7f3df9f14f23d57a3b7c7d819de3cb [0,2,0,0,0,0|2,0,0]=4 7686 B13R0.198 CC(C)CC(=O)OCOCC(S)CS bb5381dd551c2894bc414261302988ee [0,2,0,0,0,0|2,0,0]=4 7687 B13R0.198 CC(CO)CCCNC(=O)C[C@@H](C)O 1fe5b186bc2162dfc68b8008231a6425 [0,2,0,0,0,0|2,0,0]=4 7688 B13R0.198 CC(CO)CCCNC(=O)C[C@H](C)O bd4fa899cff341c2449f1c477d794b79 [0,2,0,0,0,0|2,0,0]=4 7689 B13R0.198 CC(O)CC(=O)NCCCC(C)CO 269146ca92df34cbd3f49113d4567ad5 [0,2,0,0,0,0|2,0,0]=4 7690 B13R0.198 CCC(=O)COCOC(=O)CC(C)C 848a7b5cf5943bc4fc6cca27a5e1d0bc [0,2,0,0,0,0|1,0,1]=4 7691 B13R0.198 CCC(C)CCCOC(C)CC(C)C b5be43ab8a106ed9f3d5b4f0256d633f [0,2,0,0,0,0|1,0,1]=4 7692 B13R0.198 CCC(C)CCNCC(=O)CC(C)C ea00d3a6dafe42eadcf5816e3fe2f1d6 [0,2,0,0,0,0|2,0,0]=4 7693 B13R0.198 CCC(C)CCOCC(=O)CC(C)C c87bc049b2f00396f13e597784c468b2 [0,2,0,0,0,0|2,0,0]=4 7694 B13R0.198 CCC(C)CNCOC(=O)CC(C)C c42bf84d0df95832d16c04a042aca211 [0,2,0,0,0,0|1,0,0]=3 7695 B13R0.198 CCC(C)CNCOC(=O)OC(C)C 6438ef548685e39c721092d7d5c714f5 [0,2,0,0,0,0|2,0,0]=4 7696 B13R0.198 CCC(C)COCOC(=O)CC(C)C 957e6641be917a0c99e9b630b383a4c4 [0,2,0,0,0,0|1,0,0]=3 7697 B13R0.198 CCC(C)COCOC(=O)OC(C)C 5e000240ecc4d2d48ff6a05c23293029 [0,2,0,0,0,0|2,0,0]=4 7698 B13R0.198 CCC(C)NCCOC(=O)CC(=O)C 5a7efb8bcb6405579ce71aa755a5afb7 [0,2,0,0,0,0|1,0,1]=4 7699 B13R0.198 CCC(C)OCCOC(=O)CC(=O)C 4565622bb5c4cef2649d1a86e364e94a [0,2,0,0,0,0|1,0,1]=4 7700 B13R0.198 CCC(O)CNCOC(=O)CC(C)C 0b772f53e938763d4fea01fc3ebf49bd [0,2,0,0,0,0|1,0,0]=3 7701 B13R0.198 CCC(O)CNCOC(=O)OC(C)C 6f83de6c9e861e39d784b1e32d72ac35 [0,2,0,0,0,0|2,0,0]=4 7702 B13R0.198 CCC(S)CCOCC(=O)CC(C)C 9c193e62f9fa4e05cd6c04ba17f2619a [0,2,0,0,0,0|2,0,0]=4 7703 B13R0.198 CCN(C)CCCNC(=O)CC(C)C 5db5b64b9ca50048d0b7a95773020433 [0,2,0,0,0,0|2,0,0]=4 7704 B13R0.198 CCN(C)CCCNC(=O)CC(C)O e037501b95f6529177eb62cc02064539 [0,2,0,0,0,0|2,0,0]=4 7705 B13R0.198 CCN(C)CCCNC(=O)C[C@@H](C)O d37910a63c8c603cd01a5e91a39ca393 [0,2,0,0,0,0|2,0,0]=4 7706 B13R0.198 CCN(C)CCCNC(=O)C[C@H](C)O ed78acb463c61bb7f890aff8ee061fc8 [0,2,0,0,0,0|2,0,0]=4 7707 B13R0.198 CC[C@@H](C)COCOC(=O)CC(C)C 3c2ccc6802fdb247c8e655fb91dd6390 [0,2,0,0,0,0|1,0,0]=3 7708 B13R0.198 CC[C@@H](C)COCOC(=O)OC(C)C fbd5d0cb57d6e7fc38c5f51b9de2f80c [0,2,0,0,0,0|2,0,0]=4 7709 B13R0.198 CC[C@@H](C)NCCOC(=O)CC(=O)C 52c6be23a9b9a5bcc08b207363b5e974 [0,2,0,0,0,0|1,0,1]=4 7710 B13R0.198 CC[C@@H](C)OCCOC(=O)CC(=O)C e3db3165392684ac7d44596fda51535d [0,2,0,0,0,0|1,0,1]=4 7711 B13R0.198 CC[C@@H](O)CNCOC(=O)CC(C)C 70f1ae4425b547d3ff51ee5a7086d98a [0,2,0,0,0,0|1,0,0]=3 7712 B13R0.198 CC[C@@H](O)CNCOC(=O)OC(C)C da0ccf5158f65d8addd54d8f6ce92783 [0,2,0,0,0,0|2,0,0]=4 7713 B13R0.198 CC[C@H](C)CCCOC(C)CC(C)C 8c3e3cb28d5adc326d08e3f00ef4f594 [0,2,0,0,0,0|1,0,1]=4 7714 B13R0.198 CC[C@H](C)CCOCC(=O)CC(C)C 43f37da44bcf48ae240429b4bfa145c3 [0,2,0,0,0,0|2,0,0]=4 7715 B13R0.198 CC[C@H](C)CNCOC(=O)CC(C)C 333df9e6b67b2f82501cde94ca2424ff [0,2,0,0,0,0|1,0,0]=3 7716 B13R0.198 CC[C@H](C)CNCOC(=O)OC(C)C e6cfda0d0babb07519033b257a13df69 [0,2,0,0,0,0|2,0,0]=4 7717 B13R0.198 CC[C@H](C)COCOC(=O)CC(C)C 38c4854f1b4ab672e0a4d22add0212a9 [0,2,0,0,0,0|1,0,0]=3 7718 B13R0.198 CC[C@H](C)COCOC(=O)OC(C)C 84136cccebdf7762b3a666266e794eb0 [0,2,0,0,0,0|2,0,0]=4 7719 B13R0.198 CC[C@H](C)NCCOC(=O)CC(=O)C 8fca7507df3eb1126b81b59cbfb5d57a [0,2,0,0,0,0|1,0,1]=4 7720 B13R0.198 CC[C@H](C)OCCOC(=O)CC(=O)C a72bd612a24c605c6418da547ef9bca1 [0,2,0,0,0,0|1,0,1]=4 7721 B13R0.198 COC(C)COCOC(=O)CC(C)C 1dae97934d3e70850e016342240e269a [0,2,0,0,0,0|2,0,0]=4 7722 B13R0.198 CO[C@@H](C)CNCOC(=O)CC(C)C a300d7c3c18c26f283ba4c752f5deef3 [0,2,0,0,0,0|2,0,0]=4 7723 B13R0.198 CO[C@@H](C)COCOC(=O)CC(C)C 971ea1818fbe7f7f2146b83f5f244200 [0,2,0,0,0,0|2,0,0]=4 7724 B13R0.198 CO[C@H](C)CNCOC(=O)CC(C)C 1fe649064e169237b5c172f78bb42c57 [0,2,0,0,0,0|2,0,0]=4 7725 B13R0.198 CO[C@H](C)COCOC(=O)CC(C)C a174bba92bdfcd6cba8c88b26b3b12e6 [0,2,0,0,0,0|2,0,0]=4 7726 B13R0.274 C#CC(C)NC(=O)CCCCCCC ca3c84f916514a29d09af7b7ed64aa4e [0,2,0,0,0,0|2,0,0]=4 7727 B13R0.274 C#CC(C)NC(=O)NCCCCCC c842c208b3fad5baed1e9251c19b4700 [0,2,0,0,0,0|2,0,0]=4 7728 B13R0.274 C#C[C@@H](C)NC(=O)CCCCCCC c0a96e069e1a7eb92d32a218ff707484 [0,2,0,0,0,0|2,0,0]=4 7729 B13R0.274 C#C[C@@H](C)NC(=O)NCCCCCC ca5ece22bff11cc04d5a3b0f191e129e [0,2,0,0,0,0|2,0,0]=4 7730 B13R0.274 C#C[C@H](C)NC(=O)CCCCCCC 77de7505306d667fe130b6b63a2273ba [0,2,0,0,0,0|2,0,0]=4 7731 B13R0.274 C#C[C@H](C)NC(=O)NCCCCCC b1a1ffe7dca5ea01bb1a2aeaf32d7bcb [0,2,0,0,0,0|2,0,0]=4 7732 B13R0.274 C=CC(C)CC(=O)NCCCCCC 2d8dfd3783be420cc13798eef556a8af [0,2,0,0,0,0|1,0,0]=3 7733 B13R0.274 C=CC(C)CC(=O)NCCCCCCl d3f7a26f35795707b4de8a2b2922a4ee [0,2,0,0,0,0|2,0,0]=4 7734 B13R0.274 C=CC(C)CC(=O)NCCCCCO 33522b2d445c05eb56cd2e80c68c30e0 [0,2,0,0,0,0|2,0,0]=4 7735 B13R0.274 C=CC(C)CC(=O)NCCCCOC e336378649bcd3a337f840c657283d20 [0,2,0,0,0,0|2,0,0]=4 7736 B13R0.274 C=CC(C)CC(=O)NCCCCSC a2cd2f7de0265257c973c83084e77078 [0,2,0,0,0,0|2,0,0]=4 7737 B13R0.274 C=CC(C)CC(=O)NCCCOCC 5992a67b4f5fdcd992998354f40b0d97 [0,2,0,0,0,0|2,0,0]=4 7738 B13R0.274 C=CC(C)CC(=O)NCCOCCC 1901a6a3b1a98298320a869ce5b244a0 [0,2,0,0,0,0|2,0,0]=4 7739 B13R0.274 C=CC(C)NC(=O)CCCCCCC ac43f207b12c94561efc3f5125b6df74 [0,2,0,0,0,0|2,0,0]=4 7740 B13R0.274 C=CC(C)NC(=O)NCCCCCC 4feb8737445e7661e836742dcd451cfb [0,2,0,0,0,0|2,0,0]=4 7741 B13R0.274 CC(C#N)CC(=O)NCCCCCCl 1971667fa2e7acbff2d968d9958540ea [0,2,0,0,0,0|2,0,0]=4 7742 B13R0.274 CC(C#N)CC(=O)NCCCCCO e6a04332f0bb78d475d2bb48165a713c [0,2,0,0,0,0|2,0,0]=4 7743 B13R0.274 CCC(C)CC(=O)NCCCCCCl d288cc04ab9b062d9e3d448f096daca4 [0,2,0,0,0,0|2,0,0]=4 7744 B13R0.274 CCC(C)CC(=O)NCCCCCO 37acca807abf4d04167d12bb85f5a576 [0,2,0,0,0,0|2,0,0]=4 7745 B13R0.274 CCC(C)CC(=O)NCCCCOC 56a7003be4e6254034e8a2998911f4b3 [0,2,0,0,0,0|2,0,0]=4 7746 B13R0.274 CCC(C)CC(=O)NCCCCSC 62e25a8abcfb4de4b0e001ca0dafc4e0 [0,2,0,0,0,0|2,0,0]=4 7747 B13R0.274 CCC(C)NC(=O)CCCCCCF 8a23bf7951ae5c3f7a8b171b10ea3710 [0,2,0,0,0,0|2,0,0]=4 7748 B13R0.274 CCC(C)NC(=O)CCCCCCO 449d64bbfc919cf4e20815802cc65735 [0,2,0,0,0,0|2,0,0]=4 7749 B13R0.274 CCC(C)NC(=O)CCCCCCS ca3e813e97bdeb1244db5b41a968de2b [0,2,0,0,0,0|2,0,0]=4 7750 B13R0.274 CCC(C)NC(=O)CCCCCOC 2cf1b82c91dc1813a191f904a379d39a [0,2,0,0,0,0|2,0,0]=4 7751 B13R0.274 CCC(C)NC(=O)NCCCCCN 554449e227fc3fa17e507d4d32b2219a [0,2,0,0,0,0|2,0,0]=4 7752 B13R0.274 CCC(C)NC(=O)NCCCCCO b14721f586efec9267c58d319804190d [0,2,0,0,0,0|2,0,0]=4 7753 B13R0.274 CCC(C)NC(=O)NCCCCOC 0c8beb9c6ddfa456d0512045d3bdb1b7 [0,2,0,0,0,0|2,0,0]=4 7754 B13R0.274 CCC(C)NC(=O)NCCCCSC 94eed55db0ecda6dc5a66a362b7b33b0 [0,2,0,0,0,0|2,0,0]=4 7755 B13R0.274 CCC(O)CC(=O)NCCCCCCl a8d5f65b26010b03e686303d201a6422 [0,2,0,0,0,0|2,0,0]=4 7756 B13R0.274 CCC(O)CC(=O)NCCCCCO 9c90f63eb5874a3ca809ea127c34a338 [0,2,0,0,0,0|2,0,0]=4 7757 B13R0.274 CCC(O)CC(=O)NCCCCOC 180a537d4ea0e5ee6a90e80a25c1c605 [0,2,0,0,0,0|2,0,0]=4 7758 B13R0.274 CCC(O)CC(=O)NCCCCSC 026be13293e4b53a12d52573b4fe5d05 [0,2,0,0,0,0|2,0,0]=4 7759 B13R0.274 CCCCC/C=C/C(=O)NC(C)CC 9c559f15259f9457fbff3e27da142339 [0,2,0,0,0,0|1,0,1]=4 7760 B13R0.274 CCCCC/C=C/C(=O)N[C@@H](C)CC 82ec1d24e5236630b38b6c115c68d65d [0,2,0,0,0,0|1,0,1]=4 7761 B13R0.274 CCCCC/C=C/C(=O)N[C@H](C)CC 8e18fbb0bb42dfa9c486dee485f6d4f7 [0,2,0,0,0,0|1,0,1]=4 7762 B13R0.274 CCCCCC#CC(=O)NC(C)CC 5c4920253da47cc35df0aa19b81bef17 [0,2,0,0,0,0|1,0,1]=4 7763 B13R0.274 CCCCCC#CC(=O)N[C@@H](C)CC 98893497031b7b93dbb8226dc0716289 [0,2,0,0,0,0|1,0,1]=4 7764 B13R0.274 CCCCCC#CC(=O)N[C@H](C)CC 2dfd102c6f00b0d0d426dc90d7961ecf [0,2,0,0,0,0|1,0,1]=4 7765 B13R0.274 CCCCCCCC(=O)NC(C)C#N 25827c8a08541f88cf3992eb379ccafc [0,2,0,0,0,0|2,0,0]=4 7766 B13R0.274 CCCCCCCC(=O)NC(C)CC 3263418fb3c7e18e7c3504dabea6df51 [0,2,0,0,0,0|1,0,0]=3 7767 B13R0.274 CCCCCCCC(=O)NC(C)CO 2935afc85cc697da5660b681a090468e [0,2,0,0,0,0|2,0,0]=4 7768 B13R0.274 CCCCCCCC(=O)N[C@@H](C)CC e498a8cd850385fee64f2ba8e7f3b5db [0,2,0,0,0,0|1,0,0]=3 7769 B13R0.274 CCCCCCCC(=O)N[C@@H](C)CO 9ff65fde3e64e6a13751e052124bc124 [0,2,0,0,0,0|2,0,0]=4 7770 B13R0.274 CCCCCCCC(=O)N[C@H](C)CC 3e087060ba19741a1d978a46694c4a26 [0,2,0,0,0,0|1,0,0]=3 7771 B13R0.274 CCCCCCCC(=O)N[C@H](C)CO ffcecaadd8b19d3f0fa83682015865c1 [0,2,0,0,0,0|2,0,0]=4 7772 B13R0.274 CCCCCCNC(=O)/C=C(/C)\CC a46d6547dc2aeaa6e6fa8323805ee21a [0,2,0,0,0,0|1,0,1]=4 7773 B13R0.274 CCCCCCNC(=O)/C=C(\C)/CC be135fb73b209db2a20e8b6c7fe3522e [0,2,0,0,0,0|1,0,1]=4 7774 B13R0.274 CCCCCCNC(=O)CC(=O)NC d926357ba03dee3f77746498282bc584 [0,2,0,0,0,0|1,0,1]=4 7775 B13R0.274 CCCCCCNC(=O)CC(=O)OC f91350f17e8090465cdacf985e4602e5 [0,2,0,0,0,0|1,0,1]=4 7776 B13R0.274 CCCCCCNC(=O)CC(C)C#N 499e57400847dab6eb00407f05b44dab [0,2,0,0,0,0|1,0,0]=3 7777 B13R0.274 CCCCCCNC(=O)CC(C)CC 64d69a6d9a9b964ece0129fbca78b5d7 [0,2,0,0,0,0|1,0,0]=3 7778 B13R0.274 CCCCCCNC(=O)CC(C)OC 575f2ed93e3db2059ba508060f00b034 [0,2,0,0,0,0|1,0,0]=3 7779 B13R0.274 CCCCCCNC(=O)CC(O)CC cb2115466282998f057b73bf82c8dffb [0,2,0,0,0,0|1,0,0]=3 7780 B13R0.274 CCCCCCNC(=O)CN(C)CC 45515a613376de954720e96702ab30b5 [0,2,0,0,0,0|1,0,0]=3 7781 B13R0.274 CCCCCCNC(=O)C[C@@H](C)CC 435b063d82ce93955958d5ba0cc54495 [0,2,0,0,0,0|1,0,0]=3 7782 B13R0.274 CCCCCCNC(=O)C[C@@H](O)CC 8616f6d786b7010b17fb94c940b6854e [0,2,0,0,0,0|1,0,0]=3 7783 B13R0.274 CCCCCCNC(=O)C[C@H](C)CC a0d31460756b83697d59611440bd7931 [0,2,0,0,0,0|1,0,0]=3 7784 B13R0.274 CCCCCCNC(=O)C[C@H](O)CC 3bce6c42f7cd25a1b188dc70d5e2c7e8 [0,2,0,0,0,0|1,0,0]=3 7785 B13R0.274 CCCCCCNC(=O)NC(C)C#N c7d98fab6f49cabdc078a6194d24276e [0,2,0,0,0,0|2,0,0]=4 7786 B13R0.274 CCCCCCNC(=O)NC(C)CC 4caf11ffa81a2c349b51ff3c765260c6 [0,2,0,0,0,0|1,0,0]=3 7787 B13R0.274 CCCCCCNC(=O)NC(C)CO be2cb475dca461c7c7735fd2efc387ee [0,2,0,0,0,0|2,0,0]=4 7788 B13R0.274 CCCCCCNC(=O)N[C@@H](C)CC 2684871a1fe8fb6dcfae1c71258851b2 [0,2,0,0,0,0|1,0,0]=3 7789 B13R0.274 CCCCCCNC(=O)N[C@@H](C)CO 2c27c5e6c8ae679614d7a799bb3fb588 [0,2,0,0,0,0|2,0,0]=4 7790 B13R0.274 CCCCCCNC(=O)N[C@H](C)CC bf926bc58ecc0566cd1b1edba25b7681 [0,2,0,0,0,0|1,0,0]=3 7791 B13R0.274 CCCCCCNC(=O)N[C@H](C)CO c67cf3996a92812515f0814cac65ee03 [0,2,0,0,0,0|2,0,0]=4 7792 B13R0.274 CCCCCCNC(=S)NC(C)CC 872aee2fea44a0de8579adcdcc7afab3 [0,2,0,0,0,0|1,1,0]=4 7793 B13R0.274 CCCCCCNC(=S)N[C@@H](C)CC c1e743d3f0f07170949504eb26c1b053 [0,2,0,0,0,0|1,1,0]=4 7794 B13R0.274 CCCCCCNC(=S)N[C@H](C)CC 5f17fd5dd2e4a8f30e8a7a707b2c3445 [0,2,0,0,0,0|1,1,0]=4 7795 B13R0.274 CCCCCCO/C(=C/C(=O)CC)/C 8efdd8b63cf74926e14849c4ea8059d8 [0,2,0,0,0,0|1,0,1]=4 7796 B13R0.274 CCCCCCOC(C)CC(C)OC e51b48ccd4698686955f24393c3dfc76 [0,2,0,0,0,0|1,0,1]=4 7797 B13R0.274 CCCCCNCC(=O)NC(C)CC eb9574bca66f606b03c74959d0a7e12c [0,2,0,0,0,0|2,0,0]=4 7798 B13R0.274 CCCCCOCC(=O)NC(C)CC b177b625e4a6527d05608b180bfec63b [0,2,0,0,0,0|2,0,0]=4 7799 B13R0.274 CCCCOCCC(=O)NC(C)CC 3b9a44eb1f27f7b61308769e5992b8ff [0,2,0,0,0,0|2,0,0]=4 7800 B13R0.274 CCCCOCCC(=O)N[C@@H](C)CC de5922ff719a28dce2d41e9cca98553a [0,2,0,0,0,0|2,0,0]=4 7801 B13R0.274 CCCCOCCC(=O)N[C@H](C)CC e1897ae2e26c6242dff691b29b83d64c [0,2,0,0,0,0|2,0,0]=4 7802 B13R0.274 CCCOCCNC(=O)CC(C)C#N c9b1c22ad73dec7ae761856557f62c7c [0,2,0,0,0,0|2,0,0]=4 7803 B13R0.274 CCCOCCNC(=O)CC(C)CC 6f9580128115ce40026ec41fcb009cc6 [0,2,0,0,0,0|2,0,0]=4 7804 B13R0.274 CCCOCCNC(=O)CC(C)OC 8bae6c5c8c4b0331d82ba1d7b24f6d33 [0,2,0,0,0,0|2,0,0]=4 7805 B13R0.274 CCCOCCNC(=O)CC(O)CC 9d672c48732e2a4aa29f489a46a98aec [0,2,0,0,0,0|2,0,0]=4 7806 B13R0.274 CCCOCCNC(=O)CN(C)CC d243caf8961084b3b47ff0f78942517e [0,2,0,0,0,0|2,0,0]=4 7807 B13R0.274 CCCOCCNC(=O)C[C@@H](C)CC 2a4bbf765f79b13a5b048a842e6bea0d [0,2,0,0,0,0|2,0,0]=4 7808 B13R0.274 CCCOCCNC(=O)C[C@@H](O)CC 7bf9739e0432087729625b5e337f8a8c [0,2,0,0,0,0|2,0,0]=4 7809 B13R0.274 CCCOCCNC(=O)C[C@H](C)CC 6bb2c12bc85c213cf901ae09d749a400 [0,2,0,0,0,0|2,0,0]=4 7810 B13R0.274 CCCOCCNC(=O)C[C@H](O)CC 11c7199d5b980b1447359821367332c0 [0,2,0,0,0,0|2,0,0]=4 7811 B13R0.274 CCCOCCNC(=O)NC(C)CC 572eb9f26cb2d9f287755b1de76cac7d [0,2,0,0,0,0|2,0,0]=4 7812 B13R0.274 CCCOCCNC(=O)N[C@@H](C)CC 800919997d40a6ad38dcda42ecbc0e06 [0,2,0,0,0,0|2,0,0]=4 7813 B13R0.274 CCCOCCNC(=O)N[C@H](C)CC d27e53a573586cf868afd1d6a01578da [0,2,0,0,0,0|2,0,0]=4 7814 B13R0.274 CCN(C)CC(=O)NCCCCCCl e2b1820e14e407da3782e8827628af13 [0,2,0,0,0,0|2,0,0]=4 7815 B13R0.274 CCN(C)CC(=O)NCCCCCO c9d3a89f96033917301e5bbcc901bcec [0,2,0,0,0,0|2,0,0]=4 7816 B13R0.274 CCN(C)CC(=O)NCCCCOC 9399c72cd40ee189b6e324dbd0b11a6c [0,2,0,0,0,0|2,0,0]=4 7817 B13R0.274 CCN(C)CC(=O)NCCCCSC e87af389ff0d71c88d2b8660dbc08a4f [0,2,0,0,0,0|2,0,0]=4 7818 B13R0.274 CCOCCCCC(=O)NC(C)CC b7ba895c64276b629e225fddaaa2075a [0,2,0,0,0,0|2,0,0]=4 7819 B13R0.274 CCOCCCCC(=O)N[C@@H](C)CC d5ae43d135c036ada38d5dbeebd4eef8 [0,2,0,0,0,0|2,0,0]=4 7820 B13R0.274 CCOCCCCC(=O)N[C@H](C)CC 10e77c4673753ea7cb966ef43d5d3cb4 [0,2,0,0,0,0|2,0,0]=4 7821 B13R0.274 CCOCCCNC(=O)CC(C)C#N d8976500627c06a2bdd4bf99cabab501 [0,2,0,0,0,0|2,0,0]=4 7822 B13R0.274 CCOCCCNC(=O)CC(C)CC 6d50cde2aae937db495967d9901fc35c [0,2,0,0,0,0|2,0,0]=4 7823 B13R0.274 CCOCCCNC(=O)CC(C)OC 39211974d8dca4d5a08c0164f95fbb55 [0,2,0,0,0,0|2,0,0]=4 7824 B13R0.274 CCOCCCNC(=O)CC(O)CC 452e39f112c5bfdbf83a969d694221ef [0,2,0,0,0,0|2,0,0]=4 7825 B13R0.274 CCOCCCNC(=O)CN(C)CC a2ccd75a4f477ebfff541e237e8a7a6f [0,2,0,0,0,0|2,0,0]=4 7826 B13R0.274 CCOCCCNC(=O)C[C@@H](C)CC 7433c0228ef826f615d0b67602922a4f [0,2,0,0,0,0|2,0,0]=4 7827 B13R0.274 CCOCCCNC(=O)C[C@@H](O)CC 909ac58c4639874cf1e3ea0379d9c823 [0,2,0,0,0,0|2,0,0]=4 7828 B13R0.274 CCOCCCNC(=O)C[C@H](C)CC df7ca1f60c473e95640c3aab22ecbf65 [0,2,0,0,0,0|2,0,0]=4 7829 B13R0.274 CCOCCCNC(=O)C[C@H](O)CC 67d377d2ee0d0bcc37b15d2c4136c610 [0,2,0,0,0,0|2,0,0]=4 7830 B13R0.274 CCOCCCNC(=O)NC(C)CC df1a658f577a82cb835db585dc14e8da [0,2,0,0,0,0|2,0,0]=4 7831 B13R0.274 CCOCCCNC(=O)N[C@@H](C)CC 9c5418014f163606f711ae132ce0446c [0,2,0,0,0,0|2,0,0]=4 7832 B13R0.274 CCOCCCNC(=O)N[C@H](C)CC 48969bd713ec64dee297a04fd7504d7f [0,2,0,0,0,0|2,0,0]=4 7833 B13R0.274 CC[C@@H](C)CC(=O)NCCCCCCl 0df3c276077dd1308a28f0c103a2eebb [0,2,0,0,0,0|2,0,0]=4 7834 B13R0.274 CC[C@@H](C)CC(=O)NCCCCCO d28e3633f27cb897ccd028b967db826b [0,2,0,0,0,0|2,0,0]=4 7835 B13R0.274 CC[C@@H](C)CC(=O)NCCCCOC 13aba9021f592dc114871da6dd05219b [0,2,0,0,0,0|2,0,0]=4 7836 B13R0.274 CC[C@@H](C)CC(=O)NCCCCSC dff7982c3ae9447f425a7010c4d9a177 [0,2,0,0,0,0|2,0,0]=4 7837 B13R0.274 CC[C@@H](C)NC(=O)CCCCCCF 0959df49602ca9db7d11f5a91ade99bd [0,2,0,0,0,0|2,0,0]=4 7838 B13R0.274 CC[C@@H](C)NC(=O)CCCCCCO 04639ec550e9f60641dbe2ba02a389c3 [0,2,0,0,0,0|2,0,0]=4 7839 B13R0.274 CC[C@@H](C)NC(=O)CCCCCCS 7da5bd8e8b1134cd503fb0bb2c3dbc4c [0,2,0,0,0,0|2,0,0]=4 7840 B13R0.274 CC[C@@H](C)NC(=O)CCCCCOC 195b343349c465cad7460f944916da5b [0,2,0,0,0,0|2,0,0]=4 7841 B13R0.274 CC[C@@H](C)NC(=O)NCCCCCN f7744b8603fd53affc7e567e902cbe97 [0,2,0,0,0,0|2,0,0]=4 7842 B13R0.274 CC[C@@H](C)NC(=O)NCCCCCO 9144374c057d6361b5ff08548ff19516 [0,2,0,0,0,0|2,0,0]=4 7843 B13R0.274 CC[C@@H](C)NC(=O)NCCCCOC 13718f362455316767b760614bca9d23 [0,2,0,0,0,0|2,0,0]=4 7844 B13R0.274 CC[C@@H](C)NC(=O)NCCCCSC 5c47fc8d350e8d7f0801086f8256c09e [0,2,0,0,0,0|2,0,0]=4 7845 B13R0.274 CC[C@@H](O)CC(=O)NCCCCCCl e83c94ee47b7bb4e19fe960869886d57 [0,2,0,0,0,0|2,0,0]=4 7846 B13R0.274 CC[C@@H](O)CC(=O)NCCCCCO 2edb32144e80bb2f988b510cc30908d7 [0,2,0,0,0,0|2,0,0]=4 7847 B13R0.274 CC[C@@H](O)CC(=O)NCCCCOC 9ac7dc7edef568fcfe4326f7e959e9f0 [0,2,0,0,0,0|2,0,0]=4 7848 B13R0.274 CC[C@@H](O)CC(=O)NCCCCSC 429d3e31e5be6bb5aef829c3bf0e7d00 [0,2,0,0,0,0|2,0,0]=4 7849 B13R0.274 CC[C@H](C)CC(=O)NCCCCCCl 95425e0072e6e670c982318ecf383520 [0,2,0,0,0,0|2,0,0]=4 7850 B13R0.274 CC[C@H](C)CC(=O)NCCCCCO af212c96f9449f972786a526d03f7fd7 [0,2,0,0,0,0|2,0,0]=4 7851 B13R0.274 CC[C@H](C)CC(=O)NCCCCOC b332dce239ebab47815b8a5dd35d3f9e [0,2,0,0,0,0|2,0,0]=4 7852 B13R0.274 CC[C@H](C)CC(=O)NCCCCSC 2f0fee463a69c29c0c2118c84cc60c2e [0,2,0,0,0,0|2,0,0]=4 7853 B13R0.274 CC[C@H](C)NC(=O)CCCCCCF 32d7bb56c0b8e093d347328dd8c36f40 [0,2,0,0,0,0|2,0,0]=4 7854 B13R0.274 CC[C@H](C)NC(=O)CCCCCCO d7ab2552d4cf3ab6659f4205b85efc9d [0,2,0,0,0,0|2,0,0]=4 7855 B13R0.274 CC[C@H](C)NC(=O)CCCCCCS 0c6d9b72569be7462123a01b1cf24f48 [0,2,0,0,0,0|2,0,0]=4 7856 B13R0.274 CC[C@H](C)NC(=O)CCCCCOC 6b7dbed7f42bc52bfa87b5910bd0c97c [0,2,0,0,0,0|2,0,0]=4 7857 B13R0.274 CC[C@H](C)NC(=O)NCCCCCN b9ea011946006d48501a031bffd0d730 [0,2,0,0,0,0|2,0,0]=4 7858 B13R0.274 CC[C@H](C)NC(=O)NCCCCCO 07500ed0fb8f7475fb6a679d2b72a861 [0,2,0,0,0,0|2,0,0]=4 7859 B13R0.274 CC[C@H](C)NC(=O)NCCCCOC 33327d5e481a8ae083550d8b05818ed4 [0,2,0,0,0,0|2,0,0]=4 7860 B13R0.274 CC[C@H](C)NC(=O)NCCCCSC e9d74bc30755eb4d47d3de135c0915a4 [0,2,0,0,0,0|2,0,0]=4 7861 B13R0.274 CC[C@H](O)CC(=O)NCCCCCCl d629d30cccd9024497ba64315d4bc9c9 [0,2,0,0,0,0|2,0,0]=4 7862 B13R0.274 CC[C@H](O)CC(=O)NCCCCCO bbdcafbf189c4ed710ada3f4064cc379 [0,2,0,0,0,0|2,0,0]=4 7863 B13R0.274 CC[C@H](O)CC(=O)NCCCCOC 29a63b0b453734854451c92e567821e2 [0,2,0,0,0,0|2,0,0]=4 7864 B13R0.274 CC[C@H](O)CC(=O)NCCCCSC 4e2a1f3113481dceb0968715df9e2a71 [0,2,0,0,0,0|2,0,0]=4 7865 B13R0.274 COC(C)CC(=O)NCCCCCCl ce462871e7fbcf85ca9dee283e1406ef [0,2,0,0,0,0|2,0,0]=4 7866 B13R0.274 COC(C)CC(=O)NCCCCCO 5f474f18335c97f76017cddc0643346b [0,2,0,0,0,0|2,0,0]=4 7867 B13R0.274 COC(C)CC(=O)NCCCCSC fe762470d247bb7a9bbc7e5f71be1949 [0,2,0,0,0,0|2,0,0]=4 7868 B13R0.274 COCCCCNC(=O)CC(C)C#N f60dcdac46f8e8d425fd21be58a9a3ed [0,2,0,0,0,0|2,0,0]=4 7869 B13R0.274 COCCCCNC(=O)CC(C)OC e0006747b477cd138c6880c3f858deb2 [0,2,0,0,0,0|2,0,0]=4 7870 B13R0.274 CSCCCCNC(=O)CC(C)C#N 302813086b41bedb38c54775996f8fba [0,2,0,0,0,0|2,0,0]=4 7871 B13R0.286 CC(C)(Br)CC(=O)NCCCCCCl 16e695f74a39da3a837403d8c5f50e3e [0,2,0,0,0,0|2,0,0]=4 7872 B13R0.286 CC(C)(Br)CC(=O)NCCCCCO 4b36694766bd7cea9c74abe249f52308 [0,2,0,0,0,0|2,0,0]=4 7873 B13R0.286 CC(C)(C)CC(=O)NCCCCCCl 38417736989c9ffc3c9082772c3ed9ba [0,2,0,0,0,0|2,0,0]=4 7874 B13R0.286 CC(C)(C)CC(=O)NCCCCCO 84e180dddab260036bc5c524b6bdc227 [0,2,0,0,0,0|2,0,0]=4 7875 B13R0.286 CC(C)(C)CC(=O)OCNCCCCl 0d7172c8f100f4edc2a8855d11caf66c [0,2,0,0,0,0|2,0,0]=4 7876 B13R0.286 CC(C)(C)CC(=O)OCNCCCO ecead00d728c8ddc01b69faaadc938fb [0,2,0,0,0,0|2,0,0]=4 7877 B13R0.286 CC(C)(C)CC(=O)OCOCCCF 897b8e0e9aea83d87d8371e8bd531679 [0,2,0,0,0,0|2,0,0]=4 7878 B13R0.286 CC(C)(C)CC(=O)OCOCCCS 10e26475ff262fa22f8e8fc28478a111 [0,2,0,0,0,0|2,0,0]=4 7879 B13R0.286 CC(C)(Cl)CC(=O)NCCCCCCl dc9caaca2dc612ee83602ec6529aed80 [0,2,0,0,0,0|2,0,0]=4 7880 B13R0.286 CC(C)(Cl)CC(=O)NCCCCCO 3398d6f3c489c9040356c179ef8a0052 [0,2,0,0,0,0|2,0,0]=4 7881 B13R0.286 CC(C)(O)CC(=O)NCCCCCCl 2ec7d156fd72e73b1e345f85f3ac3490 [0,2,0,0,0,0|2,0,0]=4 7882 B13R0.286 CC(C)(O)CC(=O)NCCCCCO 0dbc37ca1fdb0918f9daa23d1df92921 [0,2,0,0,0,0|2,0,0]=4 7883 B13R0.286 CC(F)(F)CC(=O)NCCCCCCl 50387ee0fd7dcfc87051093da671fd31 [0,2,0,0,0,0|2,0,0]=4 7884 B13R0.286 CC(F)(F)CC(=O)NCCCCCO 0e73cef86ef87c2d2991cb817bdd7019 [0,2,0,0,0,0|2,0,0]=4 7885 B13R0.286 CCCCCCCC(=O)NC(C)(C)C 8d178ed6889c36fd8fc3cb2da04f6292 [0,2,0,0,0,0|2,0,0]=4 7886 B13R0.286 CCCCCCNC(=O)CC(C)(C)Br e588a6960fe3724742d5f52e1bd6d73c [0,2,0,0,0,0|1,0,0]=3 7887 B13R0.286 CCCCCCNC(=O)CC(C)(C)C de41fc170bb539097f6cae3530896c30 [0,2,0,0,0,0|1,0,0]=3 7888 B13R0.286 CCCCCCNC(=O)CC(C)(C)Cl 09188a42ad28f15bbd14181582ffcce3 [0,2,0,0,0,0|1,0,0]=3 7889 B13R0.286 CCCCCCNC(=O)CC(C)(C)O fbf2d3b47eed5d47a21f8de809d5a785 [0,2,0,0,0,0|1,0,0]=3 7890 B13R0.286 CCCCCCNC(=O)CC(C)(F)F 18c60e0eea6c3901cb6ef2051bfa2338 [0,2,0,0,0,0|1,0,0]=3 7891 B13R0.286 CCCCCCNC(=O)CC(F)(F)F 20db97df3051ee0bfcfff471c20407ea [0,2,0,0,0,0|2,0,0]=4 7892 B13R0.286 CCCCCCNC(=O)CS(=O)(=O)C 7fa4d785cfecbe5caedc266b9ec58145 [0,2,0,0,0,0|2,0,0]=4 7893 B13R0.286 CCCCCCNC(=O)NC(C)(C)C a3fbe6cfa78ff21bf82f19c533af4d50 [0,2,0,0,0,0|2,0,0]=4 7894 B13R0.286 CCCCCCOC(C)CC(C)(C)C d711e7120344903a7294f3b396dc6d83 [0,2,0,0,0,0|1,0,1]=4 7895 B13R0.286 CCCCCCOC(C)CC(C)(C)S 8543e5b965d6498d027817c0696e9e64 [0,2,0,0,0,0|1,0,1]=4 7896 B13R0.286 CCCCNCOC(=O)CC(C)(C)C bdf77ae6c4cba511a48e11c9334860ca [0,2,0,0,0,0|1,0,0]=3 7897 B13R0.286 CCCCNCOC(=O)OC(C)(C)C e41b0d2732827899f2d7cb1834738774 [0,2,0,0,0,0|2,0,0]=4 7898 B13R0.286 CCCCOCOC(=O)CC(C)(C)C e22de201a462ecbb853e624aa911f03b [0,2,0,0,0,0|1,0,0]=3 7899 B13R0.286 CCCCOCOC(=O)OC(C)(C)C 839fca86ce71376ca0eee9a79c0177d8 [0,2,0,0,0,0|2,0,0]=4 7900 B13R0.286 CCCOCCNC(=O)CC(C)(C)Br e8fb812b6d9cd1dc5903735a81ef142e [0,2,0,0,0,0|2,0,0]=4 7901 B13R0.286 CCCOCCNC(=O)CC(C)(C)C 87aedf196e632888b2e3f8d92f438425 [0,2,0,0,0,0|2,0,0]=4 7902 B13R0.286 CCCOCCNC(=O)CC(C)(C)Cl 83dca9c6cb0addda57068a7096c75664 [0,2,0,0,0,0|2,0,0]=4 7903 B13R0.286 CCCOCCNC(=O)CC(C)(C)O ebca824713ef31e0f1f8965449d6ec59 [0,2,0,0,0,0|2,0,0]=4 7904 B13R0.286 CCCOCCNC(=O)CC(C)(F)F 58cb516d62eba8d749e9554f58ea0677 [0,2,0,0,0,0|2,0,0]=4 7905 B13R0.286 CCOCCCNC(=O)CC(C)(C)Br 27ddc7291198401094d7994d6c4cb4bf [0,2,0,0,0,0|2,0,0]=4 7906 B13R0.286 CCOCCCNC(=O)CC(C)(C)C 644ba07ebf5b5ae2e5ed5a921ad1cf44 [0,2,0,0,0,0|2,0,0]=4 7907 B13R0.286 CCOCCCNC(=O)CC(C)(C)Cl 64808e3d708a7523ff12f16af5191bb0 [0,2,0,0,0,0|2,0,0]=4 7908 B13R0.286 CCOCCCNC(=O)CC(C)(C)O e53b9885c592742051d7788ccec7b0ee [0,2,0,0,0,0|2,0,0]=4 7909 B13R0.286 CCOCCCNC(=O)CC(C)(F)F 76276958d0d0f3dfaa54284d22147118 [0,2,0,0,0,0|2,0,0]=4 7910 B13R0.286 COCCCCNC(=O)CC(C)(C)Br 6f27a8307ca8a9ba7edabf0bbbb2a48c [0,2,0,0,0,0|2,0,0]=4 7911 B13R0.286 COCCCCNC(=O)CC(C)(C)C 9f097c1871e143c8b05e7917dd996aa9 [0,2,0,0,0,0|2,0,0]=4 7912 B13R0.286 COCCCCNC(=O)CC(C)(C)Cl a2930d9cf3857999bdf9838d9d77546b [0,2,0,0,0,0|2,0,0]=4 7913 B13R0.286 COCCCCNC(=O)CC(C)(C)O 4450856304457ced392526437c5a94a2 [0,2,0,0,0,0|2,0,0]=4 7914 B13R0.286 COCCCCNC(=O)CC(C)(F)F 7bb978d991c3494df6af5bfe62e9f764 [0,2,0,0,0,0|2,0,0]=4 7915 B13R0.286 COCCNCOC(=O)CC(C)(C)C a193166b17273380739725be47bea86f [0,2,0,0,0,0|2,0,0]=4 7916 B13R0.286 COCCOCOC(=O)CC(C)(C)C 37a7f0a16f36a94d47f33ee685fa57db [0,2,0,0,0,0|2,0,0]=4 7917 B13R0.286 CSCCCCNC(=O)CC(C)(C)Br 6f49c1637cfdacb7a23df98327e9c423 [0,2,0,0,0,0|2,0,0]=4 7918 B13R0.286 CSCCCCNC(=O)CC(C)(C)C cce41500400e5718a867fa82ccdde3b7 [0,2,0,0,0,0|2,0,0]=4 7919 B13R0.286 CSCCCCNC(=O)CC(C)(C)Cl a1830a07ef71c44b9f0b1de1684d6727 [0,2,0,0,0,0|2,0,0]=4 7920 B13R0.286 CSCCCCNC(=O)CC(C)(C)O 322670329536a667ef686046a0166063 [0,2,0,0,0,0|2,0,0]=4 7921 B13R0.286 CSCCCCNC(=O)CC(C)(F)F a747df45160a8eea553f2b6a1aa271f2 [0,2,0,0,0,0|2,0,0]=4 7922 B13R0.286 CSCCNCOC(=O)CC(C)(C)C 481f8e3b64ec148d640a9270f50c9b22 [0,2,0,0,0,0|2,0,0]=4 7923 B13R0.286 CSCCOCOC(=O)CC(C)(C)C 542f0b95d84d2f5725af61ba71fac482 [0,2,0,0,0,0|2,0,0]=4 7924 B13R0.332 CC(C)CC(=O)OCNC(C)CCO c621414f01d86741a7f0ca8fd30268e9 [0,2,0,0,0,0|2,0,0]=4 7925 B13R0.332 CC(C)CC(=O)OCN[C@@H](C)CCO 664e61760c1e754b230e7447ac4e99ad [0,2,0,0,0,0|2,0,0]=4 7926 B13R0.332 CC(C)CC(=O)OCN[C@H](C)CCO d7b808454ac7edda7dc298d0a7fefc13 [0,2,0,0,0,0|2,0,0]=4 7927 B13R0.332 CCCC(=O)CNCC(O)CC(C)C 4a5d9d3b5730ca3ab0dbf8d81f428d04 [0,2,0,0,0,0|2,0,0]=4 7928 B13R0.332 CCCC(=O)COCC(C)CC(C)C b2f13a6ca6cb30771e58343e5aae587b [0,2,0,0,0,0|2,0,0]=4 7929 B13R0.332 CCCC(=O)OCNC(C)CC(C)C d784e2d40b56332c4913568c9b747978 [0,2,0,0,0,0|1,0,0]=3 7930 B13R0.332 CCCC(=O)OCNC(C)CN(C)C a7f061e8e7b13e9b95217d3f76fb318d [0,2,0,0,0,0|2,0,0]=4 7931 B13R0.332 CCCC(=O)OCN[C@@H](C)CN(C)C d5a52d18d4085a9e5ea2cac3d4ea3422 [0,2,0,0,0,0|2,0,0]=4 7932 B13R0.332 CCCC(=O)OCN[C@H](C)CN(C)C 3e934e47bd6367c0aced9f6b847d7c25 [0,2,0,0,0,0|2,0,0]=4 7933 B13R0.332 CCCC(=S)OCOC(=O)CC(C)C a2e5e25d3126371b6a9aae1c85d05146 [0,2,0,0,0,0|1,0,1]=4 7934 B13R0.332 CCCC(C)CCOC(C)CC(C)C f87991bc8af31b307921d84d83dd367d [0,2,0,0,0,0|1,0,1]=4 7935 B13R0.332 CCCC(C)COCC(=O)CC(C)C 65c30745ccdd0da55e781a4bb0db5c65 [0,2,0,0,0,0|2,0,0]=4 7936 B13R0.332 CCCC(C)NCOC(=O)CC(C)C e95c1660e348971664cc208009b3819d [0,2,0,0,0,0|1,0,0]=3 7937 B13R0.332 CCCC(C)NCOC(=O)OC(C)C ca4015c8cde06d46362f5488f9d9df7f [0,2,0,0,0,0|2,0,0]=4 7938 B13R0.332 CCCC(C)OCCC(C)CC(C)C fd27eb1d8e3c75883a94abb5589aad42 [0,2,0,0,0,0|1,0,1]=4 7939 B13R0.332 CCCC(C)OCOC(=O)CC(C)C f84c2d9ae86562f97c3f2bf760b36f03 [0,2,0,0,0,0|1,0,0]=3 7940 B13R0.332 CCCC(C)OCOC(=O)OC(C)C 1bd754c1522c67f89d7dfc77709242a5 [0,2,0,0,0,0|2,0,0]=4 7941 B13R0.332 CCCC(O)CNCC(=O)CC(C)C 1750b5dc0e82d7d4095f6c4b92c1340e [0,2,0,0,0,0|2,0,0]=4 7942 B13R0.332 CCCC(S)CCOC(C)CC(C)C 5a7dcf1e3e69fc4d60a386852aa71690 [0,2,0,0,0,0|1,0,1]=4 7943 B13R0.332 CCCN(C)CCOC(=O)CC(=O)C 821e6e5bc4ada14b7918cfc21ca4f608 [0,2,0,0,0,0|1,0,1]=4 7944 B13R0.332 CCC[C@@H](C)OCOC(=O)CC(C)C bba5d564244e1e12e70edcd5cdf9dbc5 [0,2,0,0,0,0|1,0,0]=3 7945 B13R0.332 CCC[C@@H](C)OCOC(=O)OC(C)C 5a2a3043a96056785810468861e92d66 [0,2,0,0,0,0|2,0,0]=4 7946 B13R0.332 CCC[C@H](C)NCOC(=O)CC(C)C 2c804ebf7940aae56fec4d4517a725a3 [0,2,0,0,0,0|1,0,0]=3 7947 B13R0.332 CCC[C@H](C)NCOC(=O)OC(C)C f8bcec03ad23daf35aa1d2a946311348 [0,2,0,0,0,0|2,0,0]=4 7948 B13R0.332 CCC[C@H](C)OCOC(=O)CC(C)C 0a4405720c90b5275a0925a4fdd7b9d6 [0,2,0,0,0,0|1,0,0]=3 7949 B13R0.332 CCC[C@H](C)OCOC(=O)OC(C)C d46df615ef4189f0303d76b923ca2c28 [0,2,0,0,0,0|2,0,0]=4 7950 B13R0.332 CCOC(=O)OCNC(C)CC(C)C cc3fca2d78169e9cc0fbe8163ea3b521 [0,2,0,0,0,0|2,0,0]=4 7951 B13R0.332 CCSC(=O)OCNC(C)CC(C)C cc75a461ad2210383f8fe24ad1bdd761 [0,2,0,0,0,0|2,0,0]=4 7952 B13R0.332 CCSC(=O)OCNC(C)CC(C)O 410f3b9d738f22353669030e91dcb8af [0,2,0,0,0,0|2,0,0]=4 7953 B13R0.332 CCSC(=O)OCOC(C)CC(C)C 57bc6aec5289d9326eb7ad6442aad761 [0,2,0,0,0,0|2,0,0]=4 7954 B13R0.332 CCSC(=O)OCO[C@@H](C)CC(C)C e7dd90062377e0137d77b37ceccf463f [0,2,0,0,0,0|2,0,0]=4 7955 B13R0.332 CCSC(=O)OCO[C@H](C)CC(C)C 50433158f0a423d0036a6bcc369ee8c1 [0,2,0,0,0,0|2,0,0]=4 7956 B13R0.332 COCC(C)NCOC(=O)CC(C)C 27214736b393c81994bfb5071c7639ff [0,2,0,0,0,0|2,0,0]=4 7957 B13R0.332 COCC(C)OCOC(=O)CC(C)C 1fd05fe7f39ddd669d6eb2f9d0503be9 [0,2,0,0,0,0|2,0,0]=4 7958 B13R0.332 COC[C@@H](C)NCOC(=O)CC(C)C ea291a0be3db6754997081fd21bc9c47 [0,2,0,0,0,0|2,0,0]=4 7959 B13R0.332 COC[C@@H](C)OCOC(=O)CC(C)C f6bd2b654067e65d9f88003c9716405e [0,2,0,0,0,0|2,0,0]=4 7960 B13R0.332 COC[C@H](C)NCOC(=O)CC(C)C 28a18dc214480860f77a4c733ade053d [0,2,0,0,0,0|2,0,0]=4 7961 B13R0.332 COC[C@H](C)OCOC(=O)CC(C)C 9aac769570fdbbd3dd6027aabdc60b81 [0,2,0,0,0,0|2,0,0]=4 7962 B13R0.332 CSCC(C)OCOC(=O)CC(C)C c469bc59814f506698e666990f17a9aa [0,2,0,0,0,0|2,0,0]=4 7963 B13R0.333 C=C(C)CC(=O)NC(C)CCCCC 918f36935f71d748bda15337f7f91f95 [0,2,0,0,0,0|1,0,1]=4 7964 B13R0.333 C=C(C)CC(=O)N[C@@H](C)CCCCC 7a02f61aaa21eba7bbd139eda59c6657 [0,2,0,0,0,0|1,0,1]=4 7965 B13R0.333 CCCCCC(C)NC(=O)CC(=O)C f3b0610c4c0efb9f508d88f00e4b5817 [0,2,0,0,0,0|1,0,1]=4 7966 B13R0.333 CCCCCC(C)NC(=O)CC(C)C 7bc19ed57d407f37372880f69b5fa9aa [0,2,0,0,0,0|1,0,0]=3 7967 B13R0.333 CCCCCC(C)NC(=O)CC(C)O 4a50b8948920f938a86e79659ded9475 [0,2,0,0,0,0|1,0,0]=3 7968 B13R0.333 CCCCCC(C)NC(=O)CC(F)F f8109314879c77716ab1b10c4b489157 [0,2,0,0,0,0|2,0,0]=4 7969 B13R0.333 CCCCCC(C)NC(=O)CN(C)C 27d9c9462827e97e5dbcc48c729715d5 [0,2,0,0,0,0|2,0,0]=4 7970 B13R0.333 CCCCCC(C)NC(=O)C[C@@H](C)O 46f3262e0f3d4b0102a6d84f6d88e541 [0,2,0,0,0,0|1,0,0]=3 7971 B13R0.333 CCCCCC(C)NC(=O)C[C@H](C)O 2b43b186485050bf751e1589f54080a6 [0,2,0,0,0,0|1,0,0]=3 7972 B13R0.333 CCCCCC(C)OC(C)CC(C)C 29b32f4ac4d8132dbb2039e49feb64a7 [0,2,0,0,0,0|1,0,1]=4 7973 B13R0.333 CCCCCC(C)O[C@@H](C)CC(C)C 494198755a3ab4d788147cf567ed35fd [0,2,0,0,0,0|1,0,1]=4 7974 B13R0.333 CCCCCC(C)O[C@H](C)CC(C)C 70ee67d8da28e42b5ba25e93ec250a93 [0,2,0,0,0,0|1,0,1]=4 7975 B13R0.333 CCCCCN(C)CC(=O)CC(C)C d05203063486769b0361489fc8263d51 [0,2,0,0,0,0|2,0,0]=4 7976 B13R0.333 CCCCC[C@@H](C)OC(C)CC(C)C f58f2673b3e4cc1ea30688014ddcbedb [0,2,0,0,0,0|1,0,1]=4 7977 B13R0.333 CCCCC[C@H](C)NC(=O)CC(=O)C f1d7d145cf0a8d4c0edc9a00439f8960 [0,2,0,0,0,0|1,0,1]=4 7978 B13R0.333 CCCCC[C@H](C)NC(=O)CC(C)C 77a50fab4986e4855b93509e0f653fe7 [0,2,0,0,0,0|1,0,0]=3 7979 B13R0.333 CCCCC[C@H](C)NC(=O)CC(C)O aeb99f3ade4ba7d339cd47fd2e43da1b [0,2,0,0,0,0|1,0,0]=3 7980 B13R0.333 CCCCC[C@H](C)NC(=O)CC(F)F 0b5ba38af21c3f829e98b9508dc0c157 [0,2,0,0,0,0|2,0,0]=4 7981 B13R0.333 CCCCC[C@H](C)NC(=O)CN(C)C dd97a9df24538d9871deaad7a6230a95 [0,2,0,0,0,0|2,0,0]=4 7982 B13R0.333 CCCCC[C@H](C)NC(=O)C[C@@H](C)O fa74cb5d63b0ed497aad7db9f61fbf0f [0,2,0,0,0,0|1,0,0]=3 7983 B13R0.333 CCCCC[C@H](C)NC(=O)C[C@H](C)O 8b501ae537aa0ef70a8ed6bf8bf7d90a [0,2,0,0,0,0|1,0,0]=3 7984 B13R0.333 CCCCC[C@H](C)OC(C)CC(C)C 9d0136cb381382d8ab3b6b1c4239e195 [0,2,0,0,0,0|1,0,1]=4 7985 B13R0.333 CCCCC[C@H](C)O[C@@H](C)CC(C)C b814101dbaaf6f13e38a341560ad1af5 [0,2,0,0,0,0|1,0,1]=4 7986 B13R0.333 CCCCC[C@H](C)O[C@H](C)CC(C)C daa37bc61cf1e4d04c5acbf8b90381f5 [0,2,0,0,0,0|1,0,1]=4 7987 B13R0.333 CCCCNC(C)OC(=O)OC(C)C 5485fbb36ca92b79a57af026508607c6 [0,2,0,0,0,0|2,0,0]=4 7988 B13R0.333 CCCCOC(C)OC(=O)OC(C)C dfa5e9ccd232dabc8907a5c40ad540f4 [0,2,0,0,0,0|2,0,0]=4 7989 B13R0.337 CC(C)C(F)C(=O)NCCCCCCl 08a1330fe98fcd0cb08029f381790f85 [0,2,0,0,0,0|2,0,0]=4 7990 B13R0.337 CC(C)C(F)C(=O)NCCCCCO 7070a38713b4990bb54d97da4e6be7cb [0,2,0,0,0,0|2,0,0]=4 7991 B13R0.337 CC(C)C(O)C(=O)NCCCCCCl 3d449acebff33bbecd5d5c6d26a19569 [0,2,0,0,0,0|2,0,0]=4 7992 B13R0.337 CC(C)C(O)C(=O)NCCCCCO 273d04eb105b33a1cae85482ca201163 [0,2,0,0,0,0|2,0,0]=4 7993 B13R0.337 CC(C)[C@@H](O)C(=O)NCCCCCCl 3fa148f65962930d5a570bfd9404f35e [0,2,0,0,0,0|2,0,0]=4 7994 B13R0.337 CC(C)[C@@H](O)C(=O)NCCCCCO 48c65f5befb45991122825442d9701d9 [0,2,0,0,0,0|2,0,0]=4 7995 B13R0.337 CC(C)[C@H](O)C(=O)NCCCCCCl 5764d8e63fe44c851f8af0e376ae116f [0,2,0,0,0,0|2,0,0]=4 7996 B13R0.337 CC(C)[C@H](O)C(=O)NCCCCCO 782c9a40e194e9a3d4ffd3a62a779a97 [0,2,0,0,0,0|2,0,0]=4 7997 B13R0.337 CCCCCCNC(=O)C(=O)C(C)C ea669963a9863236c084d6f7978f328e [0,2,0,0,0,0|1,0,1]=4 7998 B13R0.337 CCCCCCNC(=O)C(C)N(C)C 7129e541866bb2f93be0db9c22b39ebd [0,2,0,0,0,0|2,0,0]=4 7999 B13R0.337 CCCCCCNC(=O)C(F)C(C)C d8529d5ce04798ec76b49d3c7a9c1731 [0,2,0,0,0,0|1,0,0]=3 8000 B13R0.337 CCCCCCNC(=O)C(O)C(C)C d18d1c5d6eb7c2cd0df656e3b803eff3 [0,2,0,0,0,0|1,0,0]=3 8001 B13R0.337 CCCCCCNC(=O)N(C)C(C)C c1e4adc95475507b112c98c4f607a562 [0,2,0,0,0,0|2,0,0]=4 8002 B13R0.337 CCCCCCNC(=O)[C@@H](C)N(C)C fcbfdd7e168438842c8fde39b91e83bb [0,2,0,0,0,0|2,0,0]=4 8003 B13R0.337 CCCCCCNC(=O)[C@@H](O)C(C)C 14f654eb59cfa6a988fdd4abb99d1f29 [0,2,0,0,0,0|1,0,0]=3 8004 B13R0.337 CCCCCCNC(=O)[C@@H](O)[C@@H](C)O 87ed726c945d491b205df3aa61b1a299 [0,2,0,0,0,0|1,0,0]=3 8005 B13R0.337 CCCCCCNC(=O)[C@H](C)N(C)C d130d4577ed4b3728440936e6170e690 [0,2,0,0,0,0|2,0,0]=4 8006 B13R0.337 CCCCCCNC(=O)[C@H](O)C(C)C 3bc07b268cdcc183dcb06e7c34e5aed6 [0,2,0,0,0,0|1,0,0]=3 8007 B13R0.337 CCCOCCNC(=O)C(F)C(C)C cc8633ba5a1e2613ef4b91f859060c84 [0,2,0,0,0,0|2,0,0]=4 8008 B13R0.337 CCCOCCNC(=O)C(O)C(C)C add4059fc7b17a1d7cff44cc9d4ae62a [0,2,0,0,0,0|2,0,0]=4 8009 B13R0.337 CCCOCCNC(=O)[C@@H](O)C(C)C c33bc66efc6d814e71b09d999a63a0ea [0,2,0,0,0,0|2,0,0]=4 8010 B13R0.337 CCCOCCNC(=O)[C@@H](O)[C@@H](C)O 40cf1898da42e8d3137f5a33d6357662 [0,2,0,0,0,0|2,0,0]=4 8011 B13R0.337 CCCOCCNC(=O)[C@H](O)C(C)C b5e3d49a145e9b5f24f5730ea4ae806c [0,2,0,0,0,0|2,0,0]=4 8012 B13R0.337 CCOCCCNC(=O)C(F)C(C)C 7e092dbfcf8ce358c5375916e1249295 [0,2,0,0,0,0|2,0,0]=4 8013 B13R0.337 CCOCCCNC(=O)C(O)C(C)C 53eb61b100325b8a5ed9c56104288ac0 [0,2,0,0,0,0|2,0,0]=4 8014 B13R0.337 CCOCCCNC(=O)[C@@H](O)C(C)C d0979dd69c5aa90fda27d5b40f678660 [0,2,0,0,0,0|2,0,0]=4 8015 B13R0.337 CCOCCCNC(=O)[C@@H](O)[C@@H](C)O 2d2814d22ef1df83ed926422b0a794fa [0,2,0,0,0,0|2,0,0]=4 8016 B13R0.337 CCOCCCNC(=O)[C@H](O)C(C)C 22aac2ad18b5f57c64239a378d3fce95 [0,2,0,0,0,0|2,0,0]=4 8017 B13R0.337 COCCCCNC(=O)C(F)C(C)C 77e1a1532bbbb6ce7103f9a2c1bc9770 [0,2,0,0,0,0|2,0,0]=4 8018 B13R0.337 COCCCCNC(=O)C(O)C(C)C ab68b061472a6d2ad80dc1df940f199d [0,2,0,0,0,0|2,0,0]=4 8019 B13R0.337 COCCCCNC(=O)[C@@H](O)C(C)C b1e25b349d0d8b31cb2fd1bb8c1b26b3 [0,2,0,0,0,0|2,0,0]=4 8020 B13R0.337 COCCCCNC(=O)[C@@H](O)[C@@H](C)O f9f98964bb62d5c01b8b0bedea6f23d6 [0,2,0,0,0,0|2,0,0]=4 8021 B13R0.337 COCCCCNC(=O)[C@H](O)C(C)C 45793105c0d66fa58375e089e25c9ccf [0,2,0,0,0,0|2,0,0]=4 8022 B13R0.337 CSCCCCNC(=O)C(F)C(C)C fa326e12c68e92dc87345130f1dd66c2 [0,2,0,0,0,0|2,0,0]=4 8023 B13R0.337 CSCCCCNC(=O)C(O)C(C)C 8604e92d88ef2426cc6044905acdda73 [0,2,0,0,0,0|2,0,0]=4 8024 B13R0.337 CSCCCCNC(=O)[C@@H](O)C(C)C 054398674c1134ee81d145dcb938b149 [0,2,0,0,0,0|2,0,0]=4 8025 B13R0.337 CSCCCCNC(=O)[C@@H](O)[C@@H](C)O b26b52c3a46d0193833c3c68a3b9b147 [0,2,0,0,0,0|2,0,0]=4 8026 B13R0.337 CSCCCCNC(=O)[C@H](O)C(C)C ef7acd0f87af999d39927bfac9efaf55 [0,2,0,0,0,0|2,0,0]=4 8027 B13R0.337 C[C@@H](O)[C@H](O)C(=O)NCCCCCCl b4020f836cc5d9e4dea1f9ee6df50c00 [0,2,0,0,0,0|2,0,0]=4 8028 B13R0.337 C[C@@H](O)[C@H](O)C(=O)NCCCCCO 2bd35cad1b2354e0f0ec2b7dd7d82e50 [0,2,0,0,0,0|2,0,0]=4 8029 B13R0.438 C=C(C)CC(=O)N(C)CCCCCC 730348f69052107e01ceb1d1848b8909 [0,2,0,0,0,0|1,0,1]=4 8030 B13R0.438 CC(C)CC(=O)N(C)CCCCCO 767617982c600bb033b1646d1f8855d5 [0,2,0,0,0,0|2,0,0]=4 8031 B13R0.438 CC(O)CC(=O)N(C)CCCCCO 3f94fccbda6cf0d2e7d1d244865a5e89 [0,2,0,0,0,0|2,0,0]=4 8032 B13R0.438 CCCCCCN(C)C(=O)CC(=O)C fa5a2c3c71b89fd348f70399c09a9302 [0,2,0,0,0,0|1,0,1]=4 8033 B13R0.438 CCCCCCN(C)C(=O)CC(C)C f093d3402f9ce32e2d39dd93ff67073e [0,2,0,0,0,0|1,0,0]=3 8034 B13R0.438 CCCCCCN(C)C(=O)CC(C)O 6b1586b1083cffc12eb5ca09b141eaa6 [0,2,0,0,0,0|1,0,0]=3 8035 B13R0.438 CCCCCCN(C)C(=O)CC(F)F 6b40f17a7456f40feefc010f05ec8fa7 [0,2,0,0,0,0|2,0,0]=4 8036 B13R0.438 CCCCCCN(C)C(=O)CN(C)C de5f191f9ecd52e1ee000e3d53b5fca6 [0,2,0,0,0,0|2,0,0]=4 8037 B13R0.438 CCCCCCN(C)C(=O)C[C@@H](C)O 6175f6a7d7d837c44f7deb903855d917 [0,2,0,0,0,0|1,0,0]=3 8038 B13R0.438 CCCCCCN(C)C(=O)C[C@H](C)O 608a16fa979616c393380e56fbb3c756 [0,2,0,0,0,0|1,0,0]=3 8039 B13R0.438 CCCCCNC(=O)C(=O)CC(C)C 9769d8bc29d16c817856577253bb516f [0,2,0,0,0,0|2,0,0]=4 8040 B13R0.438 COCCCCN(C)C(=O)CC(C)C 2dfd2e68770189959878c0fe1964b870 [0,2,0,0,0,0|2,0,0]=4 8041 B13R0.438 COCCCCN(C)C(=O)CC(C)O 1660dd6a5152566fcf5d348a12d8142b [0,2,0,0,0,0|2,0,0]=4 8042 B13R0.438 COCCCCN(C)C(=O)C[C@@H](C)O 6b649cb27cff4b4b19b5b316795bacb0 [0,2,0,0,0,0|2,0,0]=4 8043 B13R0.438 COCCCCN(C)C(=O)C[C@H](C)O 029775d92822256ddc5ba0cc796abd87 [0,2,0,0,0,0|2,0,0]=4 8044 B13R0.438 C[C@@H](O)CC(=O)N(C)CCCCCO 0f3577f3dbdf9b83eeba92a23267b526 [0,2,0,0,0,0|2,0,0]=4 8045 B13R0.438 C[C@H](O)CC(=O)N(C)CCCCCO 6d451122852ee708a88f8a4d91832697 [0,2,0,0,0,0|2,0,0]=4 8046 B13R0.101 CCC(C)C(=O)CNCCCC(C)C 6d11d9d693d43c4b55a953af341e0c8d [0,2,0,0,0,0|2,0,0]=4 8047 B13R0.101 CCC(C)C(=O)COCCCC(C)C dee7c926e54968460a9dd47915bcb4ea [0,2,0,0,0,0|2,0,0]=4 8048 B13R0.101 CCC(C)C(C)OCCCCC(C)C 71176c0fe67265504c526920e15c005f [0,2,0,0,0,0|1,0,1]=4 8049 B13R0.101 CCC(O)C(=O)NCCCCC(F)F 82fc48856463f7577131737c7db2fd8a [0,2,0,0,0,0|2,0,0]=4 8050 B13R0.101 CCC(O)C(=O)NCCCCN(C)C 31ad6cf16c6911be0608e6db3d9a183d [0,2,0,0,0,0|2,0,0]=4 8051 B13R0.101 CCC(O)C(=O)NCCCOC(C)C 0a594af354fefa4d15551b6c4c61d6f8 [0,2,0,0,0,0|2,0,0]=4 8052 B13R0.101 CCC(O)C(=O)NCCCSC(C)C c5d701f1d520cd68958658055f3fe754 [0,2,0,0,0,0|2,0,0]=4 8053 B13R0.101 CCN(C)C(=O)CCCCCC(C)C 6d2348ade70760029fa28ad87840f49f [0,2,0,0,0,0|2,0,0]=4 8054 B13R0.101 CCN(C)C(=O)CCCCCC(C)O a22533ac27930d1c0cd1c25d24dd369d [0,2,0,0,0,0|2,0,0]=4 8055 B13R0.101 CC[C@@H](O)C(=O)NCCCCC(F)F 2ca763b280ae6ff3422bc07b68fe4d92 [0,2,0,0,0,0|2,0,0]=4 8056 B13R0.101 CC[C@@H](O)C(=O)NCCCCN(C)C 9c5796c7d2426bca2dd6c580aff8d7c0 [0,2,0,0,0,0|2,0,0]=4 8057 B13R0.101 CC[C@@H](O)C(=O)NCCCOC(C)C 127fd88bd971dfc45cb02f5fc06e11ce [0,2,0,0,0,0|2,0,0]=4 8058 B13R0.101 CC[C@@H](O)C(=O)NCCCSC(C)C 278899333f556fd0879afddd76001db5 [0,2,0,0,0,0|2,0,0]=4 8059 B13R0.101 CC[C@H](O)C(=O)NCCCCC(F)F cb63fd358a30758255ba28bc82339a12 [0,2,0,0,0,0|2,0,0]=4 8060 B13R0.101 CC[C@H](O)C(=O)NCCCCN(C)C 95cbfda62a7e40a55732edc5837caccd [0,2,0,0,0,0|2,0,0]=4 8061 B13R0.101 CC[C@H](O)C(=O)NCCCOC(C)C 060bb10cba7c12659cdd4db71b15d7fc [0,2,0,0,0,0|2,0,0]=4 8062 B13R0.101 CC[C@H](O)C(=O)NCCCSC(C)C 12a18a39c29891766dbf2817fc37ac20 [0,2,0,0,0,0|2,0,0]=4 8063 B13R0.101 CC[C@H](S)C(=O)NCCCCC(F)F 8ac46e4ddd31476aae5b6e2bea6b72c9 [0,2,0,0,0,0|2,0,0]=4 8064 B13R0.101 CC[C@H](S)C(=O)NCCCCN(C)C 0787ba04d1b5604865889e071859854f [0,2,0,0,0,0|2,0,0]=4 8065 B13R0.101 CC[C@H](S)C(=O)NCCCOC(C)C 89115f536903c1bf508d31599d9fe640 [0,2,0,0,0,0|2,0,0]=4 8066 B13R0.101 CC[C@H](S)C(=O)NCCCSC(C)C e766a267b2819a8cf8e5516bef032241 [0,2,0,0,0,0|2,0,0]=4 8067 B13R0.112 CCC(C)(C)C(=O)OCCOCCF 0983b30439b1ecd42ae0d8543e7b1ff2 [0,2,0,0,0,0|2,0,0]=4 8068 B13R0.112 CCC(C)(C)C(=O)OCCOCCS 08a74a3361f965a785631c1a7e719cb9 [0,2,0,0,0,0|2,0,0]=4 8069 B13R0.112 CCC(C)(C)C(=O)OCCOCOC d6a7eaac26891819cb5957d57cec60ce [0,2,0,0,0,0|2,0,0]=4 8070 B13R0.112 CCC(C)(C)C(=O)OCCOCSC 22186a5036bf17cc742af18852cabe9a [0,2,0,0,0,0|2,0,0]=4 8071 B13R0.112 CCC(F)(F)C(=O)NCCCCCCl bd454d094314b12b8334b6773ba659ca [0,2,0,0,0,0|2,0,0]=4 8072 B13R0.112 CCC(F)(F)C(=O)NCCCCCO 1584ee3c8ca3270e797ae31c3bdec274 [0,2,0,0,0,0|2,0,0]=4 8073 B13R0.112 CCC(F)(F)C(=O)NCCCCOC f64455006c0863b68303118a5b4f33f7 [0,2,0,0,0,0|2,0,0]=4 8074 B13R0.112 CCC(F)(F)C(=O)NCCCCSC 3a40304c837f5c1918a3ccdb57e6b554 [0,2,0,0,0,0|2,0,0]=4 8075 B13R0.112 CCCCCCNC(=O)C(F)(F)CC 9a44b9bfdb4fbd23a3e7c050d58512ac [0,2,0,0,0,0|1,0,0]=3 8076 B13R0.112 CCCCCCOC(C)C(C)(C)CC 646d5490be7526ffeb4519b388aeadb8 [0,2,0,0,0,0|1,0,1]=4 8077 B13R0.112 CCCOCCNC(=O)C(F)(F)CC bb0ebd17af1251c13d78daff0b342387 [0,2,0,0,0,0|2,0,0]=4 8078 B13R0.112 CCCOCCOC(=O)C(C)(C)CC b63edc9ac92dc955e47da56496bc330e [0,2,0,0,0,0|1,0,0]=3 8079 B13R0.112 CCOCCCNC(=O)C(F)(F)CC 9f1ba70a21329499caabd94650ab1ab2 [0,2,0,0,0,0|2,0,0]=4 8080 B13R0.131 C=C(CC)C(=O)NCC(O)CCCC c92723802a62b42b3101567d8e201d63 [0,2,0,0,0,0|1,0,1]=4 8081 B13R0.131 CCC(O)C(=O)NC[C@H](C)CCCO c09006917a64b0062c2eeebd28dd5efc [0,2,0,0,0,0|2,0,0]=4 8082 B13R0.131 CCCCC(C)CCC(=O)N(C)CC fca446f31ca7fdc737598433e86945c1 [0,2,0,0,0,0|2,0,0]=4 8083 B13R0.131 CCCCC(C)NCC(=O)C(C)CC 81d8901933003d00d03becad2e6f6d6c [0,2,0,0,0,0|2,0,0]=4 8084 B13R0.131 CCCCC(C)OCC(=O)C(C)CC 026bc00b682350139dfef966a600c957 [0,2,0,0,0,0|2,0,0]=4 8085 B13R0.131 CCCCC(O)CNC(=O)C(=O)CC 1ed4b77dd14ec8f8b49ad54c56c4832d [0,2,0,0,0,0|1,0,1]=4 8086 B13R0.131 CCCCC(O)CNC(=O)C(C)OC c8132306bbce39f7181199ff5eaa5b56 [0,2,0,0,0,0|2,0,0]=4 8087 B13R0.131 CCCCC(O)CNC(=O)C(C)SC e1a0a8568551bded616d320ac0744ece [0,2,0,0,0,0|2,0,0]=4 8088 B13R0.131 CCCCC(O)CNC(=O)C(O)CC 7eb78c4986ec8838ae780c0f30a15c70 [0,2,0,0,0,0|1,0,0]=3 8089 B13R0.131 CCCCC(O)CNC(=O)C(O)CO bcd04f52a894428a3d0d771e8bce970b [0,2,0,0,0,0|2,0,0]=4 8090 B13R0.131 CCCCC(O)CNC(=O)N(C)CC 89336511e50a82e7d7405519704b70e3 [0,2,0,0,0,0|2,0,0]=4 8091 B13R0.131 CCCCC(O)CNC(=O)[C@@H](C)OC c9f3106cea7e03aab0a1441bc242e8bb [0,2,0,0,0,0|2,0,0]=4 8092 B13R0.131 CCCCC(O)CNC(=O)[C@@H](O)CC 076903b5cb7f78e68ceb1aff8ab61c6a [0,2,0,0,0,0|1,0,0]=3 8093 B13R0.131 CCCCC(O)CNC(=O)[C@@H](O)CO 35a93471d0895f75924068819c2b482a [0,2,0,0,0,0|2,0,0]=4 8094 B13R0.131 CCCCC(O)CNC(=O)[C@@H](S)CC dde702a52f6c9afede7aafff38b770a6 [0,2,0,0,0,0|1,0,0]=3 8095 B13R0.131 CCCCC(O)CNC(=O)[C@H](C)OC 9874fff3d62aafecd57d922731a34082 [0,2,0,0,0,0|2,0,0]=4 8096 B13R0.131 CCCCC(O)CNC(=O)[C@H](O)CC 962f3b80db3697867079b8ad01fca70a [0,2,0,0,0,0|1,0,0]=3 8097 B13R0.131 CCCCC(O)CNC(=O)[C@H](O)CF d513eb54985f97233d36209c08f1ddda [0,2,0,0,0,0|2,0,0]=4 8098 B13R0.131 CCCC[C@@H](C)NCC(=O)C(C)CC 99de86cd9c465c9f273e107ff556045e [0,2,0,0,0,0|2,0,0]=4 8099 B13R0.131 CCCC[C@@H](C)OCC(=O)C(C)CC 2de6ea9a9d86d5722c44e1fc7b23e2a5 [0,2,0,0,0,0|2,0,0]=4 8100 B13R0.131 CCCC[C@H](C)OCC(=O)C(C)CC 7fdfc435a705d1ecb9ec5e3d046288ec [0,2,0,0,0,0|2,0,0]=4 8101 B13R0.131 CCOCC(O)CNC(=O)C(O)CC 2fa11b1f7148a2e74a9ef827d493450c [0,2,0,0,0,0|2,0,0]=4 8102 B13R0.131 CCOCC(O)CNC(=O)[C@@H](O)CC 3e1ab51aed6478fe31b7e34893f9e690 [0,2,0,0,0,0|2,0,0]=4 8103 B13R0.131 CCOCC(O)CNC(=O)[C@@H](S)CC 88cffd3b0382f255b7ef1a5db5f65399 [0,2,0,0,0,0|2,0,0]=4 8104 B13R0.131 CCOCC(O)CNC(=O)[C@H](O)CC 0ccda2870823c0a9eac86edf408925ff [0,2,0,0,0,0|2,0,0]=4 8105 B13R0.131 CC[C@@H](O)C(=O)NC[C@H](C)CCCO 50d2f4bab0c935a607ccd3681a532265 [0,2,0,0,0,0|2,0,0]=4 8106 B13R0.131 CC[C@H](O)C(=O)NC[C@H](C)CCCO fe3d92f565f856787bc5e3ab3c84e4a3 [0,2,0,0,0,0|2,0,0]=4 8107 B13R0.131 CC[C@H](S)C(=O)NC[C@H](C)CCCO d70a532a7798a2420213859f5ddc932b [0,2,0,0,0,0|2,0,0]=4 8108 B13R0.250 CCC(C)C(=O)COCC[C@@H](C)CC da010813e013cb777c73485b5279d1a0 [0,2,0,0,0,0|2,0,0]=4 8109 B13R0.250 CCC(C)CCCCC(=O)N(C)CC 6fabf35e42dbca8b7a735abb8253ff03 [0,2,0,0,0,0|2,0,0]=4 8110 B13R0.250 CCC(C)CCNCC(=O)C(C)CC d754721a2b6ca9a76883b7b3bb409a12 [0,2,0,0,0,0|2,0,0]=4 8111 B13R0.250 CCC(C)CCOCC(=O)C(C)CC 48c851ac7c694555fc3f4725e989be58 [0,2,0,0,0,0|2,0,0]=4 8112 B13R0.250 CCC(O)C(=O)NCCCC(C)CO b42fea400d47f79fbb042dec72d51ac1 [0,2,0,0,0,0|2,0,0]=4 8113 B13R0.250 CCC(O)C(=O)NCCCN(C)CC 380fc1c0eb4f77e3272427fd384d99ad [0,2,0,0,0,0|2,0,0]=4 8114 B13R0.250 CCC(S)CCOCC(=O)C(C)CC bb6360dfe18c562284b74df1b7b89db5 [0,2,0,0,0,0|2,0,0]=4 8115 B13R0.250 CC[C@@H](O)C(=O)NCCCC(C)CO 909699ade1956da519d4697feecfeec4 [0,2,0,0,0,0|2,0,0]=4 8116 B13R0.250 CC[C@@H](O)C(=O)NCCCN(C)CC a18acf891499af79d5ae176e85592e28 [0,2,0,0,0,0|2,0,0]=4 8117 B13R0.250 CC[C@H](C)CCCCC(=O)N(C)CC 878fb185eea1e4d2b974d6e6f63feaea [0,2,0,0,0,0|2,0,0]=4 8118 B13R0.250 CC[C@H](O)C(=O)NCCCC(C)CO b87d54d259678cf28909db6de2fe8c0b [0,2,0,0,0,0|2,0,0]=4 8119 B13R0.250 CC[C@H](O)C(=O)NCCCN(C)CC 8238e9251528fdbe28ef7c050ad3d841 [0,2,0,0,0,0|2,0,0]=4 8120 B13R0.250 CC[C@H](S)C(=O)NCCCC(C)CO 61875f4640256f164cd854ba910cdddb [0,2,0,0,0,0|2,0,0]=4 8121 B13R0.250 CC[C@H](S)C(=O)NCCCN(C)CC 73553c57bbcee2e2e7d4c29f27ea8428 [0,2,0,0,0,0|2,0,0]=4 8122 B13R0.277 C/C=C(/CC)\C(=O)NCCCCCC c4f4d3fc4cd3466080ea0fc445521417 [0,2,0,0,0,0|1,0,1]=4 8123 B13R0.277 C/C=C(\CC)/C(=O)NCCCCCC 5eec5b2d30428ea54773347f5706f128 [0,2,0,0,0,0|1,0,1]=4 8124 B13R0.277 CC=C(CC)C(=O)NCCCCCC 7e222240da376cabc3692a6a7ab4d300 [0,2,0,0,0,0|1,0,1]=4 8125 B13R0.277 CCC(CC)C(=O)OCNCCCCl 43400c70759335beb7828d9f4158ca07 [0,2,0,0,0,0|2,0,0]=4 8126 B13R0.277 CCC(CC)C(=O)OCNCCCO d2e6db0bad16cfa193ee224e7e98d42d [0,2,0,0,0,0|2,0,0]=4 8127 B13R0.277 CCC(CC)C(=O)OCNCCOC e1ca3d59c58ddc490d027869eaf61dc5 [0,2,0,0,0,0|2,0,0]=4 8128 B13R0.277 CCC(CC)C(=O)OCNCCSC 4447dd7a09c4773d223afb4baf05a2b4 [0,2,0,0,0,0|2,0,0]=4 8129 B13R0.277 CCC(CC)C(=O)OCOCCCF f46b5ee3915b778dea02af89cc4d7ac3 [0,2,0,0,0,0|2,0,0]=4 8130 B13R0.277 CCC(CC)C(=O)OCOCCCS 001cd0e2d6aab0f3475e90d2696ab18f [0,2,0,0,0,0|2,0,0]=4 8131 B13R0.277 CCC(CC)C(=O)OCOCCOC 681cda39975a55330e1db9f1a07af109 [0,2,0,0,0,0|2,0,0]=4 8132 B13R0.277 CCC(CC)C(=O)OCOCCSC e22e124fc6314c373ea635b4ddae743f [0,2,0,0,0,0|2,0,0]=4 8133 B13R0.277 CCC(OC)C(=O)NCCCCCCl 828356e53899f93fe191708720473e1f [0,2,0,0,0,0|2,0,0]=4 8134 B13R0.277 CCC(OC)C(=O)NCCCCCO 19245101cd5853686071cecb8c133539 [0,2,0,0,0,0|2,0,0]=4 8135 B13R0.277 CCC(OC)C(=O)NCCCCOC 780c1963fcc9df7eed05987e0e615c7e [0,2,0,0,0,0|2,0,0]=4 8136 B13R0.277 CCC(OC)C(=O)NCCCCSC dfc9b73a75fd9d6d944da875026226d7 [0,2,0,0,0,0|2,0,0]=4 8137 B13R0.277 CCCCCCNC(=O)C(CC)OC 178371e82a3be3fa9241f37fc27d4f88 [0,2,0,0,0,0|1,0,0]=3 8138 B13R0.277 CCCCCCNC(=O)C(OC)OC 2702f259bdf9560f7aff286a7bdc3e66 [0,2,0,0,0,0|2,0,0]=4 8139 B13R0.277 CCCCCCOC(C)C(CC)CC 9258b9d00cdce1b43852b28b8a73ca8f [0,2,0,0,0,0|1,0,1]=4 8140 B13R0.277 CCCCNCOC(=O)C(CC)CC f7a32a09ab8284e34bbcb48f8710d9c8 [0,2,0,0,0,0|1,0,0]=3 8141 B13R0.277 CCCCOCOC(=O)C(CC)CC 2400e1754090813626573245d768201f [0,2,0,0,0,0|1,0,0]=3 8142 B13R0.277 CCCOCCNC(=O)C(CC)OC 12bef5b2007db0e4f61ec769c35fa3a6 [0,2,0,0,0,0|2,0,0]=4 8143 B13R0.277 CCOCCCNC(=O)C(CC)OC a1ed91d066a460fc56ef2a7383e9f93c [0,2,0,0,0,0|2,0,0]=4 8144 B13R0.369 CCCC(=O)COCC(C)C(S)CC 5909618dd5fed9a2208e8db251b1b773 [0,2,0,0,0,0|2,0,0]=4 8145 B13R0.369 CCCC(=O)NCCC(C)N(C)CC 2a00aa2385f0ce071e17bcb4712557b8 [0,2,0,0,0,0|2,0,0]=4 8146 B13R0.369 CCCC(=O)NCCN(C)C(C)CC 9bd732831c477f33567c07fc037b1a42 [0,2,0,0,0,0|2,0,0]=4 8147 B13R0.369 CCCC(=O)OCNC(C)C(C)CC be80e97b373237ee34977fc62b2d2aed [0,2,0,0,0,0|1,0,0]=3 8148 B13R0.369 CCCC(=O)OCOC(C)C(C)CC 2947c686d08f17efc1f65b35f47b9e8a [0,2,0,0,0,0|1,0,0]=3 8149 B13R0.369 CCCC(=O)OCOC(C)C(C)OC cdc01df2d1b15b8154649e2e861bb456 [0,2,0,0,0,0|2,0,0]=4 8150 B13R0.369 CCCC(C)COCC(=O)C(C)CC 94e9b2c9b7c4b8c8262bd4273fa3ab2e [0,2,0,0,0,0|2,0,0]=4 8151 B13R0.369 CCCC(O)CNCC(=O)C(C)CC 9cbd29703ddb4849c467904ffdb4daa5 [0,2,0,0,0,0|2,0,0]=4 8152 B13R0.369 CCOC(=O)OCNC(C)C(C)CC 0c9d2615d305daf842b3ee90f2760736 [0,2,0,0,0,0|2,0,0]=4 8153 B13R0.369 CCOC(=O)OCOC(C)C(C)CC a96fc1c3a3061c77c5947f31fc5851b2 [0,2,0,0,0,0|2,0,0]=4 8154 B13R0.369 CCSC(=O)OCNC(C)C(C)CC e1bfd3776fcfecb81596207d913e96fc [0,2,0,0,0,0|2,0,0]=4 8155 B13R0.422 C=C(CC)C(=O)N(C)CCCCCC c84f878e2a3f6c3965a87d3e2892628f [0,2,0,0,0,0|1,0,1]=4 8156 B13R0.422 CCC(O)C(=O)N(C)CCCCCO a8c77bb4f8e974d81742e0d53fbaf303 [0,2,0,0,0,0|2,0,0]=4 8157 B13R0.422 CCC(O)C(=O)N(C)CCCCOC e927f9af35966f0bf8b20a9f35ee0059 [0,2,0,0,0,0|2,0,0]=4 8158 B13R0.422 CCCCCCC(=O)C(=O)N(C)CC da3daff86fd60af8303350a90db9ee80 [0,2,0,0,0,0|2,0,0]=4 8159 B13R0.422 CCCCCCC(O)C(=O)N(C)CC 4db5405c2b22715dd90652f4fc884eaa [0,2,0,0,0,0|2,0,0]=4 8160 B13R0.422 CCCCCCN(C)C(=O)C(=O)CC 221a1436c763b8d87434154e2ae985d4 [0,2,0,0,0,0|1,0,1]=4 8161 B13R0.422 CCCCCCN(C)C(=O)C(C)OC ee935c55059bc38332634168a685d861 [0,2,0,0,0,0|2,0,0]=4 8162 B13R0.422 CCCCCCN(C)C(=O)C(C)SC 0a5b216af1b77487fd46af1e7e6bbebb [0,2,0,0,0,0|2,0,0]=4 8163 B13R0.422 CCCCCCN(C)C(=O)C(O)CC 12818b94f388e5316cb634f698f42f3d [0,2,0,0,0,0|1,0,0]=3 8164 B13R0.422 CCCCCCN(C)C(=O)C(O)CO a7142b68be7abd92462234280483da4f [0,2,0,0,0,0|2,0,0]=4 8165 B13R0.422 CCCCCCN(C)C(=O)[C@@H](C)OC 825718dc81cddc3155820d8b2ea12770 [0,2,0,0,0,0|2,0,0]=4 8166 B13R0.422 CCCCCCN(C)C(=O)[C@@H](O)CC 97696d32d80cac5f2585759c7461a9e0 [0,2,0,0,0,0|1,0,0]=3 8167 B13R0.422 CCCCCCN(C)C(=O)[C@@H](O)CO c70d000bb3ca72cfbf16c8bf4e55ebcf [0,2,0,0,0,0|2,0,0]=4 8168 B13R0.422 CCCCCCN(C)C(=O)[C@@H](S)CC 3945577bb451d799593d1b954a790d81 [0,2,0,0,0,0|1,0,0]=3 8169 B13R0.422 CCCCCCN(C)C(=O)[C@H](C)OC 8e8b147b617111fbd57d76d26e80d304 [0,2,0,0,0,0|2,0,0]=4 8170 B13R0.422 CCCCCCN(C)C(=O)[C@H](O)CC 6fc6ab78f084305ab1e2af6543678d77 [0,2,0,0,0,0|1,0,0]=3 8171 B13R0.422 CCCCCCN(C)C(=O)[C@H](O)CF 021eacc66d937c9d36a93be459251c72 [0,2,0,0,0,0|2,0,0]=4 8172 B13R0.422 CCCCCNC(=O)C(=O)C(C)CC a86c6a0736bf1c395c2fc09ef8c24cf3 [0,2,0,0,0,0|2,0,0]=4 8173 B13R0.422 CC[C@@H](O)C(=O)N(C)CCCCCO 41e8821d952fc0819f4545da295ab8c0 [0,2,0,0,0,0|2,0,0]=4 8174 B13R0.422 CC[C@@H](O)C(=O)N(C)CCCCOC 9a1490f964b853c0f3fbe0aeda308e1c [0,2,0,0,0,0|2,0,0]=4 8175 B13R0.422 CC[C@H](O)C(=O)N(C)CCCCCO fcb1facae6a5286c242452d254fbd19e [0,2,0,0,0,0|2,0,0]=4 8176 B13R0.422 CC[C@H](O)C(=O)N(C)CCCCOC 5620d9311dbe65dee58e16f02c9e92e3 [0,2,0,0,0,0|2,0,0]=4 8177 B13R0.422 CC[C@H](S)C(=O)N(C)CCCCCO 201fa7a717180cd957a15720584033f4 [0,2,0,0,0,0|2,0,0]=4 8178 B13R0.422 CC[C@H](S)C(=O)N(C)CCCCOC 3cebcf49ddd2f290b0e661180d257311 [0,2,0,0,0,0|2,0,0]=4 8179 B13R0.1293 C=C(CC)C(=O)NC(C)CCCCC d8fb3a3f19572f65e5b946de572fa4f9 [0,2,0,0,0,0|1,0,1]=4 8180 B13R0.1293 C=C(CC)C(=O)N[C@@H](C)CCCCC c72f7825c70aca7ed3a2507e022044ff [0,2,0,0,0,0|1,0,1]=4 8181 B13R0.1293 CCCCCC(C)NC(=O)C(=O)CC 368c0cd7e7c1435c0d384150c27d5d39 [0,2,0,0,0,0|1,0,1]=4 8182 B13R0.1293 CCCCCC(C)NC(=O)C(C)OC 0f0b2ded765d90df5091bc4b55f46d99 [0,2,0,0,0,0|2,0,0]=4 8183 B13R0.1293 CCCCCC(C)NC(=O)C(C)SC 4ae882bf46b55a34fa1c2aedd1cb21ad [0,2,0,0,0,0|2,0,0]=4 8184 B13R0.1293 CCCCCC(C)NC(=O)C(O)CC 8d543125168d3f498b68be5822250a4e [0,2,0,0,0,0|1,0,0]=3 8185 B13R0.1293 CCCCCC(C)NC(=O)C(O)CO 3e0c1931db0ae62ad8e62bc859d6d815 [0,2,0,0,0,0|2,0,0]=4 8186 B13R0.1293 CCCCCC(C)NC(=O)N(C)CC 8533d4a76997c274e2510a0328088751 [0,2,0,0,0,0|2,0,0]=4 8187 B13R0.1293 CCCCCC(C)NC(=O)[C@@H](C)OC 04ca401d8bedd236888fbaaecf737828 [0,2,0,0,0,0|2,0,0]=4 8188 B13R0.1293 CCCCCC(C)NC(=O)[C@@H](O)CC c1e8d5803bc3750594e2e6086528d147 [0,2,0,0,0,0|1,0,0]=3 8189 B13R0.1293 CCCCCC(C)NC(=O)[C@@H](O)CO 77c19c4ec98ca66b1f7eb2b326b30b17 [0,2,0,0,0,0|2,0,0]=4 8190 B13R0.1293 CCCCCC(C)NC(=O)[C@@H](S)CC 226e703b6881d68a1f83eb2827153171 [0,2,0,0,0,0|1,0,0]=3 8191 B13R0.1293 CCCCCC(C)NC(=O)[C@H](C)OC ba3d5745003b6a412f54a08db97f0cd4 [0,2,0,0,0,0|2,0,0]=4 8192 B13R0.1293 CCCCCC(C)NC(=O)[C@H](O)CC b0281cf5829996f4835d11ae473d6cfa [0,2,0,0,0,0|1,0,0]=3 8193 B13R0.1293 CCCCCC(C)NC(=O)[C@H](O)CF f1b4536bc30d40e1a969a4833630b91b [0,2,0,0,0,0|2,0,0]=4 8194 B13R0.1293 CCCCCC(C)OC(C)C(C)CC 11fc5ae6618d03f14a5c8a5d9751b644 [0,2,0,0,0,0|1,0,1]=4 8195 B13R0.1293 CCCCCC(O)CC(=O)N(C)CC 437b081d79849c9ea2cf63bab39f5ec6 [0,2,0,0,0,0|2,0,0]=4 8196 B13R0.1293 CCCCCN(C)CC(=O)C(C)CC d162c4cb97444df1a11384f21e3d97d5 [0,2,0,0,0,0|2,0,0]=4 8197 B13R0.1293 CCCCC[C@@H](O)CC(=O)N(C)CC 2a84597075126fd55a05b82bb34befdc [0,2,0,0,0,0|2,0,0]=4 8198 B13R0.1293 CCCCC[C@H](C)NC(=O)C(=O)CC f12b45f02fe132291ae8f242dd38ffb8 [0,2,0,0,0,0|1,0,1]=4 8199 B13R0.1293 CCCCC[C@H](C)NC(=O)C(C)OC 4b9d4056450584ee5cfa6da4524d93fe [0,2,0,0,0,0|2,0,0]=4 8200 B13R0.1293 CCCCC[C@H](C)NC(=O)C(C)SC 4f5a69e6b4df9b5f5ce630019543b719 [0,2,0,0,0,0|2,0,0]=4 8201 B13R0.1293 CCCCC[C@H](C)NC(=O)C(O)CC 5badab9f68e8198ef6383c8793624e3b [0,2,0,0,0,0|1,0,0]=3 8202 B13R0.1293 CCCCC[C@H](C)NC(=O)C(O)CO a18c1cb1a0b3bb4de31ff1e0311d9a68 [0,2,0,0,0,0|2,0,0]=4 8203 B13R0.1293 CCCCC[C@H](C)NC(=O)N(C)CC f1098a88c1ec1470a1e9135d62c50ca1 [0,2,0,0,0,0|2,0,0]=4 8204 B13R0.1293 CCCCC[C@H](C)NC(=O)[C@@H](C)OC d076e98744f3db9512a54b26ca97cf07 [0,2,0,0,0,0|2,0,0]=4 8205 B13R0.1293 CCCCC[C@H](C)NC(=O)[C@@H](O)CC d72908cdb61fb2d14cb4087fb28cf94b [0,2,0,0,0,0|1,0,0]=3 8206 B13R0.1293 CCCCC[C@H](C)NC(=O)[C@@H](O)CO b0aad7fd88f66cbf0f7f2dbaa66866ba [0,2,0,0,0,0|2,0,0]=4 8207 B13R0.1293 CCCCC[C@H](C)NC(=O)[C@@H](S)CC 7427ea6886325698be7d3114ab0ca071 [0,2,0,0,0,0|1,0,0]=3 8208 B13R0.1293 CCCCC[C@H](C)NC(=O)[C@H](C)OC 82f84553493b1ed324060f9a956f0ace [0,2,0,0,0,0|2,0,0]=4 8209 B13R0.1293 CCCCC[C@H](C)NC(=O)[C@H](O)CC a92ea12d65f93e596a476a74823cb513 [0,2,0,0,0,0|1,0,0]=3 8210 B13R0.1293 CCCCC[C@H](C)NC(=O)[C@H](O)CF 6bd9efa2551c350fe65b1875d010ed12 [0,2,0,0,0,0|2,0,0]=4 8211 B13R0.1293 CCCCC[C@H](C)OC(C)C(C)CC a00efb12f4965fc5b786b003d6d984ae [0,2,0,0,0,0|1,0,1]=4 8212 B13R0.1293 CCCCC[C@H](O)CC(=O)N(C)CC c3c0632eee9f6006d6400fc22b8edd80 [0,2,0,0,0,0|2,0,0]=4 8213 B13R0.17 CCCC(=O)CNC(C)CC(C)CC 9f7297727f4ccbf8cca8e3768067f6ab [0,2,0,0,0,0|2,0,0]=4 8214 B13R0.17 CCCC(=O)NCC(C)CN(C)CC 94df13a3caa48f2e1a7e7a65cef7ff69 [0,2,0,0,0,0|2,0,0]=4 8215 B13R0.17 CCCC(=O)OCN(C)CC(C)CO 6f3081c0baf78b8b2000045b4c0e3db7 [0,2,0,0,0,0|2,0,0]=4 8216 B13R0.17 CCCC(=O)OCN(C)CC(O)CC 8a3fa5156f675b4ae3100e42fa748066 [0,2,0,0,0,0|1,0,0]=3 8217 B13R0.17 CCCC(=O)OCN(C)CC(O)CO 3bf4350d5d36857745aa706498d4ce58 [0,2,0,0,0,0|2,0,0]=4 8218 B13R0.17 CCOC(=O)OCN(C)CC(O)CC 4f5cadd56db265bc7e5e310a2b5bd28c [0,2,0,0,0,0|2,0,0]=4 8219 B13R0.17 CCSC(=O)OCN(C)CC(O)CC 16e0210a1cadb658b17b4d55ef5ea736 [0,2,0,0,0,0|2,0,0]=4 8220 B13R0.18 CCCC(=O)C(=O)NCC(O)CCC 260cf17e6cce5e8b1ac39567c8bd484b [0,2,0,0,0,0|2,0,0]=4 8221 B13R0.18 CCCC(=O)OCN(C)C(C)CCO d0c8297842fdcf79d8cc21cce68ec86f [0,2,0,0,0,0|2,0,0]=4 8222 B13R0.18 CCCC(=O)OCN(C)[C@@H](C)CCO 2934b0310be1d2d1e8e2ecd1440a1d6b [0,2,0,0,0,0|2,0,0]=4 8223 B13R0.95 CCCC(=O)CNC(C)CCC(C)C cc4d732bb47400a5615086705a4621c5 [0,2,0,0,0,0|2,0,0]=4 8224 B13R0.95 CCCC(=O)COC(C)CCC(C)C 3ab8179d5318d89eb40678518ce8a233 [0,2,0,0,0,0|2,0,0]=4 8225 B13R0.95 CCCC(=O)NCC(O)COC(C)C 2d6b9e8d09b478121f9a302f8aecf099 [0,2,0,0,0,0|2,0,0]=4 8226 B13R0.95 CCCC(=O)OCN(C)CCC(C)C 151a38d2c98bc8a7125deaf0376bc0b1 [0,2,0,0,0,0|1,0,0]=3 8227 B13R0.95 CCCC(=O)OCN(C)CCC(C)O e0868a8a43279c5c0ec3147fa5b844d1 [0,2,0,0,0,0|1,0,0]=3 8228 B13R0.95 CCCC(=O)OCN(C)CCC(F)F 8342eb765f03a9aca07c430230d49ae3 [0,2,0,0,0,0|2,0,0]=4 8229 B13R0.95 CCCC(=O)OCN(C)CCN(C)C f408019913e9187c2ceb6666ad8a6320 [0,2,0,0,0,0|2,0,0]=4 8230 B13R0.95 CCCC(=S)OCC(C)CCC(C)C 9d409137f586dc165d306f4eebfd4652 [0,2,0,0,0,0|0,1,0]=3 8231 B13R0.95 CCCC(C)OCC(C)CCC(C)C 131d64fa5998936d89dda84f6c3b593b [0,2,0,0,0,0|1,0,1]=4 8232 B13R0.95 CCC[C@@H](C)OCC(C)CCC(C)C adc5b5afe5e5e2c1e6e90f4e49ab19c1 [0,2,0,0,0,0|1,0,1]=4 8233 B13R0.95 CCC[C@H](C)OCC(C)CCC(C)C 0b8242584c96d1d48840912dba97c676 [0,2,0,0,0,0|1,0,1]=4 8234 B13R0.95 CCOC(=O)OCN(C)CCC(C)C a5f3e4371ed6db796626a2614d1a919d [0,2,0,0,0,0|2,0,0]=4 8235 B13R0.95 CCOC(=O)OCN(C)CCC(C)O e4efba761141e9d29b13994455612200 [0,2,0,0,0,0|2,0,0]=4 8236 B13R0.95 CCSC(=O)OCN(C)CCC(C)C f966b56c11fcd892a55f4989a3d8a0e1 [0,2,0,0,0,0|2,0,0]=4 8237 B13R0.95 CCSC(=O)OCN(C)CCC(C)O 9a6223d51f22831f4bc6e42bdf56c391 [0,2,0,0,0,0|2,0,0]=4 8238 B13R0.120 CCCC(=O)N(C)CC(O)CCSC 58933ae7b89a410cfeb131a257bad1ae [0,2,0,0,0,0|2,0,0]=4 8239 B13R0.120 CCCC(=O)N(C)CC(O)CSCC 600ae4442e158d8d763c27756278e53c [0,2,0,0,0,0|2,0,0]=4 8240 B13R0.120 CCCCC(C)NC(=O)C(=O)CCC d825f995d866240eb84caa82a29a3957 [0,2,0,0,0,0|2,0,0]=4 8241 B13R0.120 CCCC[C@@H](C)NC(=O)C(=O)CCC 407a6b4806c7174565e9bca306fed3c3 [0,2,0,0,0,0|2,0,0]=4 8242 B13R0.126 CCCCC(C)COC(CC)CCC 4de310b34d591cdae9112449607d3432 [0,2,0,0,0,0|1,0,1]=4 8243 B13R0.176 C#CCCC(=O)NCC(O)CCCC 83e0f0532ca6e60280b469975e2337d7 [0,2,0,0,0,0|1,0,1]=4 8244 B13R0.176 C/C=C/CC(=O)NCC(O)CCCC b9901d99dccc3890559fc4f61a4c151f [0,2,0,0,0,0|1,0,1]=4 8245 B13R0.176 C=CCCC(=O)NCC(O)CCCC fa88eb6721ceeac709bb64676db57414 [0,2,0,0,0,0|1,0,1]=4 8246 B13R0.176 CC#CCC(=O)NCC(O)CCCC 2a8d805dd66882c3d540dc8294830fcc [0,2,0,0,0,0|1,0,1]=4 8247 B13R0.176 CC/C=C/C(=O)NCC(O)CCCC a1fb7899b2f3b66bd7b9d04534cf1cc7 [0,2,0,0,0,0|1,0,1]=4 8248 B13R0.176 CC/C=C\C(=O)NCC(O)CCCC a4e812cf9116563067f343658149db15 [0,2,0,0,0,0|1,0,1]=4 8249 B13R0.176 CCC#CC(=O)NCC(O)CCCC 1ca461b6b9fee7e15e6979a93a770c08 [0,2,0,0,0,0|1,0,1]=4 8250 B13R0.176 CCC=CC(=O)NCC(O)CCCC fae8aa1d3c99c9b126e26df3f5b34085 [0,2,0,0,0,0|1,0,1]=4 8251 B13R0.176 CCCCC(=O)CCC(=O)NCCC c9acb403cd986cedaccfcd4941b35cf7 [0,2,0,0,0,0|1,0,1]=4 8252 B13R0.176 CCCCC(=O)NCC(O)CCCC 56e8bf4d7e697993760e45505094912d [0,2,0,0,0,0|1,0,0]=3 8253 B13R0.176 CCCCC(=O)NCC(O)COCC 0fa81bf0bf2ec4b796c3339471cdb3fb [0,2,0,0,0,0|2,0,0]=4 8254 B13R0.176 CCCCC(=O)NC[C@H](C)CCCO 88ba61adc66a05fd2849771f35fc6f7c [0,2,0,0,0,0|2,0,0]=4 8255 B13R0.176 CCCCC(=O)OCN(C)CCCC 8a987e2bfef31244e58c323d3c6fb9d0 [0,2,0,0,0,0|1,0,0]=3 8256 B13R0.176 CCCCC(=O)OCN(C)CCCO 6c104e09d2e7c907dc103ea4a938a79c [0,2,0,0,0,0|2,0,0]=4 8257 B13R0.176 CCCCC(=O)OCN(C)CCOC dc02e776c610a76d3205c1cd132de5bf [0,2,0,0,0,0|2,0,0]=4 8258 B13R0.176 CCCCC(=O)OCN(C)CCSC be1ebcedfb5da928e1977a4949b44438 [0,2,0,0,0,0|2,0,0]=4 8259 B13R0.176 CCCCC(C)CCC(=O)NCCBr 1895555ff68ead143534bb80439641d3 [0,2,0,0,0,0|2,0,0]=4 8260 B13R0.176 CCCCC(C)CCC(=O)NCCC 26ed7d10a21918eecb14f34220d959f2 [0,2,0,0,0,0|1,0,0]=3 8261 B13R0.176 CCCCC(C)CCC(=O)NCCF 88230b3e3f14f34c77bbb33f28fa7d38 [0,2,0,0,0,0|2,0,0]=4 8262 B13R0.176 CCCCC(C)CCC(=O)NCCI 1bd6031c354e0f419a1b5305f3fe3212 [0,2,0,0,0,0|2,0,0]=4 8263 B13R0.176 CCCCC(C)CCC(=O)NCCO 72ddbd100b16139e3dc309204304eea6 [0,2,0,0,0,0|2,0,0]=4 8264 B13R0.176 CCCCC(C)CCC(=O)NCCS a981efcaeaadd1201ffcb896f1afea97 [0,2,0,0,0,0|2,0,0]=4 8265 B13R0.176 CCCCC(C)COC(C)CCCC dc38d4e486db6bbd0df0b4c206b5a714 [0,2,0,0,0,0|1,0,1]=4 8266 B13R0.176 CCCCC(C)NCC(=O)CCSC 37e980581af352d36c9cab2fac376eef [0,2,0,0,0,0|2,0,0]=4 8267 B13R0.176 CCCCC(C)NCC(=O)NCCC f3609ae8a9d6ffc5a72b0a67524f42aa [0,2,0,0,0,0|2,0,0]=4 8268 B13R0.176 CCCCC(C)NCC(=O)OCCC bd47db761a093f7cf5e8a7be9d63f401 [0,2,0,0,0,0|2,0,0]=4 8269 B13R0.176 CCCCC(C)OCC(=O)CCSC f42127616ded64c8374987d3dfcd9b70 [0,2,0,0,0,0|2,0,0]=4 8270 B13R0.176 CCCCC(C)OCC(=O)NCCC 8aba4758b70934942371f1c8613c599d [0,2,0,0,0,0|2,0,0]=4 8271 B13R0.176 CCCCC(C)OCC(=O)OCCC 732e8f6e5863da51ae7f8af1617d8c09 [0,2,0,0,0,0|2,0,0]=4 8272 B13R0.176 CCCCC(O)CNC(=O)CCC#N 6b92e451f0f602fc4c7f268d9bd12e7c [0,2,0,0,0,0|1,0,1]=4 8273 B13R0.176 CCCCC(O)CNC(=O)CCC=O 54538822b1bf2b2c04eb200782db6625 [0,2,0,0,0,0|1,0,1]=4 8274 B13R0.176 CCCCC(O)CNC(=O)CCCF df2cb5e966c9c66d9474fddac8af247e [0,2,0,0,0,0|1,0,0]=3 8275 B13R0.176 CCCCC(O)CNC(=O)CCCS 63267e325aa555c7718d55466bbb6bce [0,2,0,0,0,0|1,0,0]=3 8276 B13R0.176 CCCCC(O)CNC(=O)CCOC 80411ca2950ba8f674ed9e83cdecf204 [0,2,0,0,0,0|1,0,0]=3 8277 B13R0.176 CCCCC(O)CNC(=O)CCSC ecd9cfc11595462c9e75e6c8525f6ba4 [0,2,0,0,0,0|1,0,0]=3 8278 B13R0.176 CCCCC(O)CNC(=O)COCC 60c4b3b5a1ff576a6c0f56e2612e5006 [0,2,0,0,0,0|1,0,0]=3 8279 B13R0.176 CCCCC(O)CNC(=O)CSCC 1b4175909ab11a04898dab22aea29ea6 [0,2,0,0,0,0|1,0,0]=3 8280 B13R0.176 CCCCC(O)CNC(=O)CSSC 439c220f802fd061ba36445fb300c8cf [0,2,0,0,0,0|2,0,0]=4 8281 B13R0.176 CCCCC(O)CNC(=O)NCCC c09246462a97dd08db2a02834456bde7 [0,2,0,0,0,0|1,0,0]=3 8282 B13R0.176 CCCCC(O)CNC(=O)NCCF 3406b45329f21b3fbbf2a281f4601f2c [0,2,0,0,0,0|2,0,0]=4 8283 B13R0.176 CCCCC(O)CNC(=O)NCCN f917e1abcbb367cc4ad654baed439fe6 [0,2,0,0,0,0|2,0,0]=4 8284 B13R0.176 CCCCC(O)CNC(=O)NCCO 28a75cbd361e003101ddbc5ac50a70f5 [0,2,0,0,0,0|2,0,0]=4 8285 B13R0.176 CCCCC(O)CNC(=O)NCCS 077346d2635c1dc9232effad125478e7 [0,2,0,0,0,0|2,0,0]=4 8286 B13R0.176 CCCCC(O)CNC(=S)NCCC 09632a2cd48e1152d9c6dd5eb01f4cac [0,2,0,0,0,0|1,1,0]=4 8287 B13R0.176 CCCCN(C)COC(=O)OCCC 2f5e3fa9aa4e60260452ce9f81f38112 [0,2,0,0,0,0|1,0,0]=3 8288 B13R0.176 CCCC[C@@H](C)NCC(=O)CCSC c2ea340d1526d3e4fb0cfbd16d1572c9 [0,2,0,0,0,0|2,0,0]=4 8289 B13R0.176 CCCC[C@@H](C)NCC(=O)NCCC f85296f4ff52a810f6cfa04cb52cf9e5 [0,2,0,0,0,0|2,0,0]=4 8290 B13R0.176 CCCC[C@@H](C)NCC(=O)OCCC f6ebe6406a369766a5575c24b0972a46 [0,2,0,0,0,0|2,0,0]=4 8291 B13R0.176 CCCC[C@@H](C)OCC(=O)CCSC b02073611c05f5a249f0fb84881071ab [0,2,0,0,0,0|2,0,0]=4 8292 B13R0.176 CCCC[C@@H](C)OCC(=O)NCCC e2950332725c5b0988b802d1e367036c [0,2,0,0,0,0|2,0,0]=4 8293 B13R0.176 CCCC[C@@H](C)OCC(=O)OCCC e970a7f007e70ee4e23023443cf209b3 [0,2,0,0,0,0|2,0,0]=4 8294 B13R0.176 CCCC[C@H](C)OCC(=O)CCSC 84cd60c8e8c6cabb67cecce8ba204f3f [0,2,0,0,0,0|2,0,0]=4 8295 B13R0.176 CCCC[C@H](C)OCC(=O)NCCC 8b84d5121555a1879706da6f5efd1874 [0,2,0,0,0,0|2,0,0]=4 8296 B13R0.176 CCCC[C@H](C)OCC(=O)OCCC bcbb1fe7b5313538efc4dfe29f0821a7 [0,2,0,0,0,0|2,0,0]=4 8297 B13R0.176 CCCNC(=O)NCC(O)COCC c96e3f6d7474f496c9f6cf2e375f27c7 [0,2,0,0,0,0|2,0,0]=4 8298 B13R0.176 CCCNC(=O)NC[C@H](C)CCCO 627cde8ffb8f1560f723f62369e9fc1d [0,2,0,0,0,0|2,0,0]=4 8299 B13R0.176 CCCOC(=O)OCN(C)CCCO 4144188835195a0a3f3a3307c1cad59a [0,2,0,0,0,0|2,0,0]=4 8300 B13R0.176 CCCOC(=O)OCN(C)CCOC 985a6b56a50c9e8674fd96f749858389 [0,2,0,0,0,0|2,0,0]=4 8301 B13R0.176 CCCOC(=O)OCN(C)CCSC d83e61c40d414689621dda74a2c8f2c7 [0,2,0,0,0,0|2,0,0]=4 8302 B13R0.176 CCOCC(=O)NCC(O)COCC 1d3ea5d6bee1e3fac5328178371388c1 [0,2,0,0,0,0|2,0,0]=4 8303 B13R0.176 CCOCC(=O)NC[C@H](C)CCCO ad75126c4d0ffbdadbdeaec157edc788 [0,2,0,0,0,0|2,0,0]=4 8304 B13R0.176 CCOCC(O)CNC(=O)CCCF a1acabca8b3fc4dad0ba5bf256ffe836 [0,2,0,0,0,0|2,0,0]=4 8305 B13R0.176 CCOCC(O)CNC(=O)CCCS d8482dd750c54a5096f57aaaa6c2d3aa [0,2,0,0,0,0|2,0,0]=4 8306 B13R0.176 CCOCC(O)CNC(=O)CCOC 824f50b1ed5bed5732ac65c99fe3ebd8 [0,2,0,0,0,0|2,0,0]=4 8307 B13R0.176 CCOCC(O)CNC(=O)CCSC d3e6f2f0837e91845397ec836709a6e0 [0,2,0,0,0,0|2,0,0]=4 8308 B13R0.176 CCOCC(O)CNC(=O)CSCC ca05a9791dff4d597054e458cf4ff396 [0,2,0,0,0,0|2,0,0]=4 8309 B13R0.176 CCSCC(=O)NC[C@H](C)CCCO e6bb7aa56356a1fea1104a9d04f71477 [0,2,0,0,0,0|2,0,0]=4 8310 B13R0.176 COCCC(=O)NC[C@H](C)CCCO 50ae21d8a66863d0b28aa9119f1625d5 [0,2,0,0,0,0|2,0,0]=4 8311 B13R0.176 CSCCC(=O)NC[C@H](C)CCCO facd222ef70997df130571b3dc1bfe36 [0,2,0,0,0,0|2,0,0]=4 8312 B13R0.176 C[C@H](CCCO)CNC(=O)CCCF 3fb766dba1cf07498c78091ae0a80fc0 [0,2,0,0,0,0|2,0,0]=4 8313 B13R0.176 C[C@H](CCCO)CNC(=O)CCCS 1d2731965abc79d9d8af1598836abbe9 [0,2,0,0,0,0|2,0,0]=4 8314 B13R0.305 C#CC(CCCC)OCC(=O)CCC a2b702f5c95d025b61f4bf39ead85f08 [0,2,0,0,0,0|2,0,0]=4 8315 B13R0.305 C=CC(CCCC)OCC(=O)CCC f5308a913a2dd44d73f428f5b7d26a89 [0,2,0,0,0,0|2,0,0]=4 8316 B13R0.305 CCCC(=O)NCC(CO)CCSC 1b1c88543c8a67737c6ee0e7ea7a790b [0,2,0,0,0,0|2,0,0]=4 8317 B13R0.305 CCCC(=O)OCN(CC)CCCO fa9214e83924a8628875967b076ec1cc [0,2,0,0,0,0|2,0,0]=4 8318 B13R0.305 CCCC(=O)OCN(CC)CCOC df4e62f571cbfd7b2a602044467abb23 [0,2,0,0,0,0|2,0,0]=4 8319 B13R0.305 CCCCC(CC)CNC(=O)CCC 1486dc59c3c319ffbd7dc6841d06839f [0,2,0,0,0,0|1,0,0]=3 8320 B13R0.305 CCCCC(CC)CNC(=O)CCF ad6c4441d3c6450371d5029ecfc937c4 [0,2,0,0,0,0|2,0,0]=4 8321 B13R0.305 CCCCC(CC)CNC(=O)CCO 9280dac2be1bbc7d3a238112cca34c99 [0,2,0,0,0,0|2,0,0]=4 8322 B13R0.305 CCCCC(CC)CNC(=O)CCS c14546665a7ee54bc555595a1ab0687e [0,2,0,0,0,0|2,0,0]=4 8323 B13R0.305 CCCCC(CC)CNC(=O)COC 41cefcf7577613e424e9664a23ca4784 [0,2,0,0,0,0|2,0,0]=4 8324 B13R0.305 CCCCC(CC)CNC(=O)CSC 1b624a2531207fcc6fc8810a76e537a0 [0,2,0,0,0,0|2,0,0]=4 8325 B13R0.305 CCCCC(CC)COC(=S)CCC e04d4593a4cc32cbba68268f5a25439b [0,2,0,0,0,0|0,1,0]=3 8326 B13R0.305 CCCCC(CC)COC(C)CCC 1b250702e3e12db2742b902d37064719 [0,2,0,0,0,0|1,0,1]=4 8327 B13R0.305 CCCCC(CC)CO[C@@H](C)CCC 424719205ce67c668da97894899cbd85 [0,2,0,0,0,0|1,0,1]=4 8328 B13R0.305 CCCCC(CC)CO[C@H](C)CCC 22f36a613d3e1f4cc025ac093c2eb9b2 [0,2,0,0,0,0|1,0,1]=4 8329 B13R0.305 CCCCC(CC)OCC(=O)CCC 5873f7986798e6fa52fb94e966bd0bbc [0,2,0,0,0,0|2,0,0]=4 8330 B13R0.305 CCCCC(CO)NCC(=O)CCC bb56bef9c31142831cd4e75a638ac42d [0,2,0,0,0,0|2,0,0]=4 8331 B13R0.305 CCCCN(CC)COC(=O)CCC 5142b2482f51297d2670ad5b43109af1 [0,2,0,0,0,0|1,0,0]=3 8332 B13R0.305 CCCCN(CC)COC(=O)OCC 2a3edcb6135c06742d87c3f17b78ac85 [0,2,0,0,0,0|2,0,0]=4 8333 B13R0.305 CCCCN(CC)COC(=O)SCC edd9941be6dada3dcf4e199d6cc3aeb6 [0,2,0,0,0,0|2,0,0]=4 8334 B13R0.305 CCCC[C@@H](CC)COC(=S)CCC 4f4dcd849408183e6bd8d0516d041420 [0,2,0,0,0,0|0,1,0]=3 8335 B13R0.305 CCCC[C@@H](CC)COC(C)CCC f46240ed6c376f832b189a800247f68d [0,2,0,0,0,0|1,0,1]=4 8336 B13R0.305 CCCC[C@@H](CC)CO[C@@H](C)CCC 2c712937801ed11d472d8e61779d6476 [0,2,0,0,0,0|1,0,1]=4 8337 B13R0.305 CCCC[C@@H](CC)CO[C@H](C)CCC 572379086643b66bd1b485622be86ebf [0,2,0,0,0,0|1,0,1]=4 8338 B13R0.305 CCCC[C@@H](CO)NCC(=O)CCC db64027e7b8ddae8276da5ee2117de84 [0,2,0,0,0,0|2,0,0]=4 8339 B13R0.305 CCCC[C@H](CO)NCC(=O)CCC 616a88f23273142d23ae1e07cdfb0f14 [0,2,0,0,0,0|2,0,0]=4 8340 B13R0.461 CCCC(=O)NCC(C)(C)COCC 012991f98a18e8a3e335a84fdcf39960 [0,2,0,0,0,0|2,0,0]=4 8341 B13R0.59 CCCCCNC(CC)C(=O)CCC 74133841a82f8cce30f430b08b38dbbc [0,2,0,0,0,0|2,0,0]=4 8342 B13R0.261 CCCC(=O)C(=O)NCCCC(C)C 59d4573b5c2c45f67847cddc7fefa8ca [0,2,0,0,0,0|2,0,0]=4 8343 B13R0.267 CCCC(=O)C(=O)NCCC(C)CC 2db2b17e0b2e9d995b7c96dcaece6d6c [0,2,0,0,0,0|2,0,0]=4 8344 B13R0.1171 C#CCCC(=O)N(C)CCCCCC 880c26d05f026fbf899b48f7fb77c5ab [0,2,0,0,0,0|1,0,1]=4 8345 B13R0.1171 C/C=C/CC(=O)N(C)CCCCCC fa26312ff5cb73984d0f36660e99896e [0,2,0,0,0,0|1,0,1]=4 8346 B13R0.1171 C=CCCC(=O)N(C)CCCCCC dd8aa19584ab15e2b5f4a2ab1177e0e0 [0,2,0,0,0,0|1,0,1]=4 8347 B13R0.1171 CC#CCC(=O)N(C)CCCCCC 71646d764f5e6e63b4c00d5ed66cc848 [0,2,0,0,0,0|1,0,1]=4 8348 B13R0.1171 CC/C=C/C(=O)N(C)CCCCCC 9eb2bedae9c7c48cd2264fcca5b08120 [0,2,0,0,0,0|1,0,1]=4 8349 B13R0.1171 CC/C=C\C(=O)N(C)CCCCCC d10796e82ec172b355196f7cbb81c168 [0,2,0,0,0,0|1,0,1]=4 8350 B13R0.1171 CCC#CC(=O)N(C)CCCCCC b0407219c6c52c63358dade4d5441a44 [0,2,0,0,0,0|1,0,1]=4 8351 B13R0.1171 CCC=CC(=O)N(C)CCCCCC 5c6915acf3a84222b65b9186903c99b6 [0,2,0,0,0,0|1,0,1]=4 8352 B13R0.1171 CCCCC(=O)N(C)CCCCCO ee3609cfe227a5a1560df3f726cc5a38 [0,2,0,0,0,0|2,0,0]=4 8353 B13R0.1171 CCCCC(=O)N(C)CCCCOC 3cf0321ade243fe289ed6fed34034f8e [0,2,0,0,0,0|2,0,0]=4 8354 B13R0.1171 CCCCCCC(=O)C(=O)NCCBr 3716b8466cbf35e6344db07a7b109af2 [0,2,0,0,0,0|2,0,0]=4 8355 B13R0.1171 CCCCCCC(=O)C(=O)NCCC b714865d6b46905f9b2a4769c0d7fe72 [0,2,0,0,0,0|1,0,0]=3 8356 B13R0.1171 CCCCCCC(=O)C(=O)NCCF 2f5074472d8717dd2622d9a77c783fdd [0,2,0,0,0,0|2,0,0]=4 8357 B13R0.1171 CCCCCCC(=O)C(=O)NCCI 12fb654af6ab63ed54c561412a788739 [0,2,0,0,0,0|2,0,0]=4 8358 B13R0.1171 CCCCCCC(=O)C(=O)NCCO 0196feb34d5e3e3f063f27256a52ca95 [0,2,0,0,0,0|2,0,0]=4 8359 B13R0.1171 CCCCCCC(=O)C(=O)NCCS 5c81a8048f81f90084d8dd8c4c46970e [0,2,0,0,0,0|2,0,0]=4 8360 B13R0.1171 CCCCCCC(O)C(=O)NCCBr c47b8b8a9e5069cec01c36886624edd2 [0,2,0,0,0,0|2,0,0]=4 8361 B13R0.1171 CCCCCCC(O)C(=O)NCCC f5df0445f68065207d432d47f34e715e [0,2,0,0,0,0|1,0,0]=3 8362 B13R0.1171 CCCCCCC(O)C(=O)NCCF 600cc9a8cc14155cbd42ab1de6dc6ccf [0,2,0,0,0,0|2,0,0]=4 8363 B13R0.1171 CCCCCCC(O)C(=O)NCCI 202ef0bfca7e25aca540ff90232f5b09 [0,2,0,0,0,0|2,0,0]=4 8364 B13R0.1171 CCCCCCC(O)C(=O)NCCO 51b69b83c7a8e5c729ad993054b95241 [0,2,0,0,0,0|2,0,0]=4 8365 B13R0.1171 CCCCCCC(O)C(=O)NCCS dcf9f56da269ec0c3b7de8b888a217f7 [0,2,0,0,0,0|2,0,0]=4 8366 B13R0.1171 CCCCCCN(C)C(=O)CCC#N 49ea3e857a8cad5a8c0ec9cc332ff7f2 [0,2,0,0,0,0|1,0,1]=4 8367 B13R0.1171 CCCCCCN(C)C(=O)CCC=O b28025a863b443f19a33fc49b8c6f46f [0,2,0,0,0,0|1,0,1]=4 8368 B13R0.1171 CCCCCCN(C)C(=O)CCCC ef67561b3ef0d5826dda73bda6d41cce [0,2,0,0,0,0|1,0,0]=3 8369 B13R0.1171 CCCCCCN(C)C(=O)CCCF e8d90084a4d38838f8e11f5b97a375f9 [0,2,0,0,0,0|1,0,0]=3 8370 B13R0.1171 CCCCCCN(C)C(=O)CCCS 367745274e251b127e76bbdd9e25eb48 [0,2,0,0,0,0|1,0,0]=3 8371 B13R0.1171 CCCCCCN(C)C(=O)CCOC 7def3976ac73e381789d9b97f9a96ece [0,2,0,0,0,0|1,0,0]=3 8372 B13R0.1171 CCCCCCN(C)C(=O)CCSC ea3531d483132daa11db8c748f3d40b0 [0,2,0,0,0,0|1,0,0]=3 8373 B13R0.1171 CCCCCCN(C)C(=O)COCC 052cb1495640b8a9d8a0a1130a2cbe94 [0,2,0,0,0,0|1,0,0]=3 8374 B13R0.1171 CCCCCCN(C)C(=O)CSCC 6d4a1426a812be045bfdd3acfbcd2205 [0,2,0,0,0,0|1,0,0]=3 8375 B13R0.1171 CCCCCCN(C)C(=O)CSSC dfd41e174dfa90e16735a5cc73d87292 [0,2,0,0,0,0|2,0,0]=4 8376 B13R0.1171 CCCCCCN(C)C(=O)NCCC 46a0146a7b1f7a9b16b9b807ec8ceb1a [0,2,0,0,0,0|1,0,0]=3 8377 B13R0.1171 CCCCCCN(C)C(=O)NCCF 568552cc91a22b26c36a424ffdffe838 [0,2,0,0,0,0|2,0,0]=4 8378 B13R0.1171 CCCCCCN(C)C(=O)NCCN 68ece7c8cd30058fc28da4bbb4ead50e [0,2,0,0,0,0|2,0,0]=4 8379 B13R0.1171 CCCCCCN(C)C(=O)NCCO 673f27795c345e8ec9fd5fad87f841d6 [0,2,0,0,0,0|2,0,0]=4 8380 B13R0.1171 CCCCCCN(C)C(=O)NCCS fe155e318d18853735fe713f35102708 [0,2,0,0,0,0|2,0,0]=4 8381 B13R0.1171 CCCCCCN(C)C(=S)NCCC 4bab075349e9b3c749ca41247a99dfe4 [0,2,0,0,0,0|1,1,0]=4 8382 B13R0.1171 CCCCCNC(=O)C(=O)CCCC e34a3dc45fd2f5e59cf0399e60915e38 [0,2,0,0,0,0|2,0,0]=4 8383 B13R0.1171 CCCCCNC(C)C(=O)NCCC e961acf5fa842b58eb7b4a72cbb7d763 [0,2,0,0,0,0|2,0,0]=4 8384 B13R0.1171 CCCCCNC(C)C(=O)OCCC 85aea95be5461fca5683884f77b0d439 [0,2,0,0,0,0|2,0,0]=4 8385 B13R0.1171 CCCCCN[C@@H](C)C(=O)OCCC a121c3836e87e677dbff61d80bd913b8 [0,2,0,0,0,0|2,0,0]=4 8386 B13R0.1171 CCCCCOC(C)C(=O)NCCC 640d6557b216779edcbef9d9eff514f4 [0,2,0,0,0,0|2,0,0]=4 8387 B13R0.1171 CCCCCOC(C)C(=O)OCCC 2305bafa98e9edaa202232536c8d3731 [0,2,0,0,0,0|2,0,0]=4 8388 B13R0.1171 CCCCCO[C@@H](C)C(=O)OCCC b59bb8625aba227bdfdf448a0ee5fc1a [0,2,0,0,0,0|2,0,0]=4 8389 B13R0.1171 CCCNC(=O)N(C)CCCCCO 13a81a9a6a7ddcc4aa7923c0e8465a3c [0,2,0,0,0,0|2,0,0]=4 8390 B13R0.1171 CCCNC(=O)N(C)CCCCNC 7dba45ae0fe648f112ff20c7a93de37e [0,2,0,0,0,0|2,0,0]=4 8391 B13R0.1171 CCCNC(=O)N(C)CCCCOC 15bd169c7662b4bf73afdfc212e29aa7 [0,2,0,0,0,0|2,0,0]=4 8392 B13R0.1171 CCOCC(=O)N(C)CCCCCO 9f6c2e10d60194ef0136944435c304ff [0,2,0,0,0,0|2,0,0]=4 8393 B13R0.1171 CCOCC(=O)N(C)CCCCOC 51860b8bcda36c45eb628167b45ddd8f [0,2,0,0,0,0|2,0,0]=4 8394 B13R0.1171 CCSCC(=O)N(C)CCCCCO 7befdb721f9fc8cb44a87a501d3bd07e [0,2,0,0,0,0|2,0,0]=4 8395 B13R0.1171 CCSCC(=O)N(C)CCCCOC 5f7a11c632e5f5996b11960676401500 [0,2,0,0,0,0|2,0,0]=4 8396 B13R0.1171 CN(CCCCCO)C(=O)CCCF cd0f104d3ed811fae0803d0fbf98a237 [0,2,0,0,0,0|2,0,0]=4 8397 B13R0.1171 CN(CCCCCO)C(=O)CCCS d2cbfbcfe498669c80f9cef196ab33d0 [0,2,0,0,0,0|2,0,0]=4 8398 B13R0.1171 COCCC(=O)N(C)CCCCCO 580898090c0f51f5526fc3a4c720f9fd [0,2,0,0,0,0|2,0,0]=4 8399 B13R0.1171 COCCCCN(C)C(=O)CCCF 99e3cac4966a52b5e5da4325d7fb09cb [0,2,0,0,0,0|2,0,0]=4 8400 B13R0.1171 COCCCCN(C)C(=O)CCCS 3ccdedf6d794f84f5807bc4fab81d3e5 [0,2,0,0,0,0|2,0,0]=4 8401 B13R0.1171 COCCCCN(C)C(=O)CCOC e7125e84c13437f6a80f496c6e7e7502 [0,2,0,0,0,0|2,0,0]=4 8402 B13R0.1171 COCCCCN(C)C(=O)CCSC 6bf7d9e26c844d7196ba865a14ac71d9 [0,2,0,0,0,0|2,0,0]=4 8403 B13R0.1171 CSCCC(=O)N(C)CCCCCO a5be9e3037e233f042c5ae705c55bff3 [0,2,0,0,0,0|2,0,0]=4 8404 B13R0.1283 CCCCCN(C)C(=O)C(=O)CCC 5f35abcc8f0c652ee4d0606646196719 [0,2,0,0,0,0|2,0,0]=4 8405 B13R0.23 C#CC(CCC)OCOC(=O)CCC 7c3ae8c66586acd1ab9ff0ebc51262b5 [0,2,0,0,0,0|1,0,0]=3 8406 B13R0.23 C#CC(CCC)OCOC(=O)OCC 4850c415472773a13f06ca41525e702d [0,2,0,0,0,0|2,0,0]=4 8407 B13R0.23 C#CC(CCC)OCOC(=O)SCC 98628aee68883bd684d328274b862a73 [0,2,0,0,0,0|2,0,0]=4 8408 B13R0.23 C=CC(CCC)OCOC(=O)CCC b5377f0dd0dff8cfcc28728ec2c55f17 [0,2,0,0,0,0|1,0,0]=3 8409 B13R0.23 C=CC(CCC)OCOC(=O)OCC 1ab56c37203a811394d2bdb1e46eb92d [0,2,0,0,0,0|2,0,0]=4 8410 B13R0.23 C=CC(CCC)OCOC(=O)SCC a06fe4597e9293e5f19521e95213ecfd [0,2,0,0,0,0|2,0,0]=4 8411 B13R0.23 CCCC(=O)COCC(CC)CCC ce6e29bb777488427660350cbc2ee449 [0,2,0,0,0,0|2,0,0]=4 8412 B13R0.23 CCCC(=O)OCNC(CC)COC 7f690f1cb2c288c21cca0f228aca9a54 [0,2,0,0,0,0|2,0,0]=4 8413 B13R0.23 CCCC(=O)OCNC(CO)CCC c4e101c6d39c520f5523b1ce7e95f517 [0,2,0,0,0,0|1,0,0]=3 8414 B13R0.23 CCCC(=O)OCNC(CO)CCO b0b16448318d05ce531e42d8c148b44d [0,2,0,0,0,0|2,0,0]=4 8415 B13R0.23 CCCC(=O)OCNC(CO)COC b7eda4c8cc42f9b14373b27e1c022a66 [0,2,0,0,0,0|2,0,0]=4 8416 B13R0.23 CCCC(=O)OCNC(CO)CSC 0c1f3d4622e4a6096dc5a6c1f3aefb13 [0,2,0,0,0,0|2,0,0]=4 8417 B13R0.23 CCCC(=O)OCN[C@@H](CO)CCC 343133734a625fbb973615a7a76a2913 [0,2,0,0,0,0|1,0,0]=3 8418 B13R0.23 CCCC(=O)OCN[C@@H](CO)CCO eba53da84d098ee1b2ab6c7708789d1f [0,2,0,0,0,0|2,0,0]=4 8419 B13R0.23 CCCC(=O)OCN[C@H](CO)CCC 4875a6e98f0ce96eed95ced2f78f7d7d [0,2,0,0,0,0|1,0,0]=3 8420 B13R0.23 CCCC(=O)OCOC(C#N)CCC 0ab7d2ceb9b8eca5c7faf842075582f3 [0,2,0,0,0,0|1,0,0]=3 8421 B13R0.23 CCCC(=O)OCOC(CBr)CCBr bbefe12854d0d37988e865bc227fa71f [0,2,0,0,0,0|2,0,0]=4 8422 B13R0.23 CCCC(=O)OCOC(CC)CCC a58e70c8ede25610b02216bcd0613171 [0,2,0,0,0,0|1,0,0]=3 8423 B13R0.23 CCCC(=O)OCOC(CC)COC e930141823190983c9f5ba5f2c5d38cf [0,2,0,0,0,0|2,0,0]=4 8424 B13R0.23 CCCC(=O)OCOC(CC)CSC d62564e2102b7a9967463ec7cd4394cd [0,2,0,0,0,0|2,0,0]=4 8425 B13R0.23 CCCC(=O)OCOC(CCl)CCCl d8adfb262abf69060ce11e32a849e384 [0,2,0,0,0,0|2,0,0]=4 8426 B13R0.23 CCCC(=O)OCO[C@H](CC)CCC e25f801a0b68d5c09be8ef060e523ebc [0,2,0,0,0,0|1,0,0]=3 8427 B13R0.23 CCCC(C#N)OCOC(=O)OCC 8845cdd8563cc50e75f39eb36e6cce4a [0,2,0,0,0,0|2,0,0]=4 8428 B13R0.23 CCCC(C#N)OCOC(=O)SCC 196ad8c8e02d1b017c6243fe563c214c [0,2,0,0,0,0|2,0,0]=4 8429 B13R0.23 CCCC(C)CCOC(CC)CCC 58e13599821833bc48160daada5a086e [0,2,0,0,0,0|1,0,1]=4 8430 B13R0.23 CCCC(C)OCCC(CCC)SC b1826d008745e06cc3806ef10d24ad36 [0,2,0,0,0,0|1,0,1]=4 8431 B13R0.23 CCCC(CC)OCOC(=O)OCC 8b1ebdaaa5b9fc45d398514463eb5a9c [0,2,0,0,0,0|2,0,0]=4 8432 B13R0.23 CCCC(CC)OCOC(=O)SCC 2cb55f7404cd43cfd1a6825633f71b8b [0,2,0,0,0,0|2,0,0]=4 8433 B13R0.23 CCCC(CO)NCOC(=O)OCC 325a7b8a10322baa8958c03e4eefe5cc [0,2,0,0,0,0|2,0,0]=4 8434 B13R0.23 CCCC(CO)NCOC(=O)SCC 65f9e3c6eb9b07d328f4dee617a95e66 [0,2,0,0,0,0|2,0,0]=4 8435 B13R0.23 CCCC(S)CCOC(CC)CCC a9181f39994ba8ae9e70098b23df5c2e [0,2,0,0,0,0|1,0,1]=4 8436 B13R0.23 CCC[C@@H](CC)OCOC(=O)OCC 2d7c00da26178e7251ca300b51691a28 [0,2,0,0,0,0|2,0,0]=4 8437 B13R0.23 CCC[C@@H](CC)OCOC(=O)SCC 9f1827320f15a3860fcf2b7330b4d636 [0,2,0,0,0,0|2,0,0]=4 8438 B13R0.23 CCC[C@@H](CO)NCOC(=O)OCC 6fc07f4ee633f2671aa4893b6c3a7099 [0,2,0,0,0,0|2,0,0]=4 8439 B13R0.23 CCC[C@@H](CO)NCOC(=O)SCC ae99f9aca7ddac8b12aef812a1ea04f3 [0,2,0,0,0,0|2,0,0]=4 8440 B13R0.23 CCC[C@H](CO)NCOC(=O)OCC c5f879610f0a96d1e710bc4609ed0ab4 [0,2,0,0,0,0|2,0,0]=4 8441 B13R0.23 CCC[C@H](CO)NCOC(=O)SCC 7bf8aaf6ffa075469cd9ebd9414e5a59 [0,2,0,0,0,0|2,0,0]=4 8442 B13R0.63 CCCC(OCCCCCF)C(=O)N 50e61052a49f40309249b57cc2fc492d [0,2,0,0,0,0|1,0,1]=4 8443 B13R0.63 CCCC(OCCCCCF)C(=O)O d289d0e841b386e86115edec8a279fd0 [0,2,0,0,0,0|1,0,1]=4 8444 B13R0.63 CCCC(OCCCCOC)C(=O)C 03197fab2f7ebeb6a8eb2a5b8e982c00 [0,2,0,0,0,0|1,0,1]=4 8445 B13R0.63 CCCC(OCCCCOC)C(=O)N 2e1bed5b9afb987ead80c124a8e59918 [0,2,0,0,0,0|1,0,1]=4 8446 B13R0.63 CCCC(OCCCCOC)C(=O)O edc55323e145b1f83e687c4250ad77f9 [0,2,0,0,0,0|1,0,1]=4 8447 B13R0.63 CCCC(OCCCCSC)C(=O)C c087e36e09c48bfa45ed232aa7a92014 [0,2,0,0,0,0|1,0,1]=4 8448 B13R0.63 CCCC(OCCCOCC)C(=O)C d227571f0c9e9ac874bcb60fb1a9a16f [0,2,0,0,0,0|1,0,1]=4 8449 B13R0.63 CCCC(OCCCOCC)C(=O)N 79f4b8f6eb20ec5c4b974eff4cfcfdd8 [0,2,0,0,0,0|1,0,1]=4 8450 B13R0.63 CCCC(OCCCOCC)C(=O)O 6c0f7520dfd7476c7f571b0b5a6422fe [0,2,0,0,0,0|1,0,1]=4 8451 B13R0.63 CCCC(OCCCSCC)C(=O)C 7413ebc867937d33c17840ed1216f21b [0,2,0,0,0,0|1,0,1]=4 8452 B13R0.63 CCCC(OCCCSCC)C(=O)N b73928f3b42aac22f9df946f8fcfa174 [0,2,0,0,0,0|1,0,1]=4 8453 B13R0.63 CCCC(OCCCSCC)C(=O)O 49fe9cfdb0cef4b3c7c554745f2f8bfb [0,2,0,0,0,0|1,0,1]=4 8454 B13R0.63 CCCCCCNC(CCC)C(=O)C 0e3591de15ba9bbd4d14490f3b2f8ae4 [0,2,0,0,0,0|1,0,1]=4 8455 B13R0.63 CCCCCCNC(CCC)C(=O)O 52f76d58b72f42d00ce7db08ca7b2e0c [0,2,0,0,0,0|1,0,1]=4 8456 B13R0.63 CCCCCCN[C@@H](CCC)C(=O)O a2e1f208ecf90660e12bbc2fe15203af [0,2,0,0,0,0|1,0,1]=4 8457 B13R0.63 CCCCCCN[C@H](CCC)C(=O)O fb1ef08154dc576972ecae4f966ef63b [0,2,0,0,0,0|1,0,1]=4 8458 B13R0.63 CCCCCCOC(CCC)C(=O)C 78b61010b974a879ebc700c331119bac [0,2,0,0,0,0|0,0,1]=3 8459 B13R0.63 CCCCCCOC(CCC)C(=O)N 6ad1f251b61658d9b8806aeb578bcaa7 [0,2,0,0,0,0|0,0,1]=3 8460 B13R0.63 CCCCCCOC(CCC)C(=O)O 83b0d58d6ce97d4efbf3ac38a6a1a7f3 [0,2,0,0,0,0|0,0,1]=3 8461 B13R0.63 CCCCCCOC(CCC)C(C)C 2c4eef493bc94ee327ed577521b2484c [0,2,0,0,0,0|1,0,1]=4 8462 B13R0.63 CCCCCCOC(COC)C(=O)O b4bb37b23567f230d66f2ff46a0b2cf3 [0,2,0,0,0,0|1,0,1]=4 8463 B13R0.63 CCCCCCOC(CSC)C(=O)O 9af88a8b47aa03a204faac656ccda5d3 [0,2,0,0,0,0|1,0,1]=4 8464 B13R0.63 CCCCCCO[C@@H](CCC)C(=O)O ec403219a684ce6aa28b1fcb6b05e40a [0,2,0,0,0,0|0,0,1]=3 8465 B13R0.63 CCCCCCO[C@H](CCC)C(=O)O c79bb05d1c055f92b21267069ae37948 [0,2,0,0,0,0|0,0,1]=3 8466 B13R0.63 CCCCOCOC(CCC)C(=O)N a8381433fa0070021fe95d5f800e2120 [0,2,0,0,0,0|1,0,1]=4 8467 B13R0.63 CCCCOCOC(CCC)C(=O)O 7e30babdf94d1faceef90bd9dc191bd9 [0,2,0,0,0,0|1,0,1]=4 8468 B13R0.63 CCCCOCO[C@@H](CCC)C(=O)O 502b84b80c7cffd25ea96c994b4287b9 [0,2,0,0,0,0|1,0,1]=4 8469 B13R0.63 CCCCOCO[C@H](CCC)C(=O)O c4f1bd5f5a2a89e267440c6f9b4ccb10 [0,2,0,0,0,0|1,0,1]=4 8470 B13R0.63 CCCOCCOC(CCC)C(=O)C 296f687d1507a71de9355fe8c3810d1f [0,2,0,0,0,0|1,0,1]=4 8471 B13R0.63 CCCOCCOC(CCC)C(=O)N 389c432f701eae62759b5ee6d2e350d8 [0,2,0,0,0,0|1,0,1]=4 8472 B13R0.63 CCCOCCOC(CCC)C(=O)O 35ff8304274bbeb79b1fb989c66215cd [0,2,0,0,0,0|1,0,1]=4 8473 B13R0.63 CCCOCCO[C@@H](CCC)C(=O)O 5cb61c693990994da57ad8b32d7688fc [0,2,0,0,0,0|1,0,1]=4 8474 B13R0.63 CCCOCCO[C@H](CCC)C(=O)O f8ad2d09d74450c04f773d96fb9440a3 [0,2,0,0,0,0|1,0,1]=4 8475 B13R0.63 CCCSCCOC(CCC)C(=O)C 145af6c7b0922426f186c7568bd8153d [0,2,0,0,0,0|1,0,1]=4 8476 B13R0.63 CCC[C@@H](OCCCCCF)C(=O)O 24f0b278ae9cc3acac52de9d59bb980c [0,2,0,0,0,0|1,0,1]=4 8477 B13R0.63 CCC[C@@H](OCCCCOC)C(=O)O c38d118c3f24b5578f3f7777fbf854ab [0,2,0,0,0,0|1,0,1]=4 8478 B13R0.63 CCC[C@@H](OCCCOCC)C(=O)O 3e46cf5c0a43b3c27dceeb4fa5a9471c [0,2,0,0,0,0|1,0,1]=4 8479 B13R0.63 CCC[C@H](OCCCCCF)C(=O)O a8a088298730528bb8db5a5487fd5b1e [0,2,0,0,0,0|1,0,1]=4 8480 B13R0.63 CCC[C@H](OCCCCOC)C(=O)O c83c717a6bcbe3c73a9c6148b545adae [0,2,0,0,0,0|1,0,1]=4 8481 B13R0.63 CCC[C@H](OCCCOCC)C(=O)O 9c86f2f0948b31a26d9fefc0a5f62094 [0,2,0,0,0,0|1,0,1]=4 8482 B13R0.63 CCC[C@H](OCCCSCC)C(=O)O f2f2706882b1a3f921a731a846a18431 [0,2,0,0,0,0|1,0,1]=4 8483 B13R0.65 CCCCCCOC(CCC)CCC 35511fb4794e2e40a34055326c1faec6 [0,2,0,0,0,0|1,0,1]=4 8484 B13R0.272 C#CC(CCCC)OCCCCCC bdc29dc6c44404f30ae40ba3738850ee [0,2,0,0,0,0|1,0,1]=4 8485 B13R0.272 C=CC(CCCC)OCCCCCC c481920b5e1953835a688fe8c248d82c [0,2,0,0,0,0|1,0,1]=4 8486 B13R0.272 CCCCCCOC(CC)CCCC 02b336b4e203fab86274dd1876bd477c [0,2,0,0,0,0|1,0,1]=4 8487 B13R0.308 CCCC(CC)OCCCC(C)CC 8de4fb8696282a69268de07b311b404d [0,2,0,0,0,0|1,0,1]=4 8488 B13R0.308 CCCC(CC)OCCC[C@@H](C)CC 3f2c4ae3cc786f8d0d7c65b6e749b5bc [0,2,0,0,0,0|1,0,1]=4 8489 B13R0.313 C#CC(CCC)OCCCCC(C)C e8ded854d19ede10fec5249f184d6214 [0,2,0,0,0,0|1,0,1]=4 8490 B13R0.313 C=CC(CCC)OCCCCC(C)C c73e7c6d4b67a64ea59aebc2483d25db [0,2,0,0,0,0|1,0,1]=4 8491 B13R0.313 CCCC(C#N)OCCCCC(C)C 565bef4ddd947bbdaeb4b1234c824d85 [0,2,0,0,0,0|1,0,1]=4 8492 B13R0.313 CCCC(CC)OCCCCC(C)C 7eef6624a6113866988e7932d50b9f53 [0,2,0,0,0,0|1,0,1]=4 8493 B13R0.313 CCC[C@@H](CC)OCCCCC(C)C 4e33bc58195d3263ae19b7011c72e226 [0,2,0,0,0,0|1,0,1]=4 8494 B13R0.1289 C#CC(CCC)OC(C)CCCCC 28008821621995e88ff380c460e1a289 [0,2,0,0,0,0|1,0,1]=4 8495 B13R0.1289 C#CC(CCC)O[C@@H](C)CCCCC 4d3e096a4bc392f22d2e34e7be9d86cb [0,2,0,0,0,0|1,0,1]=4 8496 B13R0.1289 C=CC(CCC)OC(C)CCCCC dde1a1d12761b7a3626e4d014263b479 [0,2,0,0,0,0|1,0,1]=4 8497 B13R0.1289 C=CC(CCC)O[C@@H](C)CCCCC 93cb77adff3580d65470d22bddc348e7 [0,2,0,0,0,0|1,0,1]=4 8498 B13R0.1289 CCCCCC(C)OC(C#N)CCC e1d991fb52517a413138327e5c693658 [0,2,0,0,0,0|1,0,1]=4 8499 B13R0.1289 CCCCCC(C)OC(CC)CCC 29418b35d7b7394465f7cea1c146854b [0,2,0,0,0,0|1,0,1]=4 8500 B13R0.1289 CCCCCC(C)O[C@H](CC)CCC fc98b420727892071d5badb9faeb089e [0,2,0,0,0,0|1,0,1]=4 8501 B13R0.1289 CCCCC[C@@H](C)OC(CC)CCC cd5af5cceaba9232dd2298e565ec630c [0,2,0,0,0,0|1,0,1]=4 8502 B13R0.1289 CCCCC[C@H](C)OC(C#N)CCC a5a72ccaaf1c3a59306b5570319475b5 [0,2,0,0,0,0|1,0,1]=4 8503 B13R0.1289 CCCCC[C@H](C)OC(CC)CCC 2eceda425d408db226450bf22007622a [0,2,0,0,0,0|1,0,1]=4 8504 B13R0.1289 CCCCC[C@H](C)O[C@H](CC)CCC b5cd2bb77970ea25c6dbb4878415444e [0,2,0,0,0,0|1,0,1]=4 8505 B13R0.113 CC(CO)CCCNC(=O)CCCF 54014b27d3199c6d8d2f752698c1c1b1 [0,2,0,0,0,0|2,0,0]=4 8506 B13R0.113 CC(CO)CCCNC(=O)CCCS 8dacbeffea53d99e22afbab99e9391d9 [0,2,0,0,0,0|2,0,0]=4 8507 B13R0.113 CCC(C)CCCCC(=O)NCCBr d0a9f7dbaed20ae2225ab00092ebaefc [0,2,0,0,0,0|2,0,0]=4 8508 B13R0.113 CCC(C)CCCCC(=O)NCCF 50fe59bb55fe2eda0feee42340b95d52 [0,2,0,0,0,0|2,0,0]=4 8509 B13R0.113 CCC(C)CCCCC(=O)NCCI 2ed6ff2fbfce2a535fc5f4988261a681 [0,2,0,0,0,0|2,0,0]=4 8510 B13R0.113 CCC(C)CCCCC(=O)NCCO 9e7aa5da460e3fe9442aab17fc2a6438 [0,2,0,0,0,0|2,0,0]=4 8511 B13R0.113 CCC(C)CCCCC(=O)NCCS a10e874a22b3193434a0182e1e6ab913 [0,2,0,0,0,0|2,0,0]=4 8512 B13R0.113 CCC(C)CCNCC(=O)CCSC 4b3bc74b5d69e7abb4a7e95f2133c999 [0,2,0,0,0,0|2,0,0]=4 8513 B13R0.113 CCC(C)CCOCC(=O)CCSC 35c74618f520f4ae32cb14307124bae6 [0,2,0,0,0,0|2,0,0]=4 8514 B13R0.113 CCC(S)CCOCC(=O)CCSC 51d0bbf10d2808e4a4d91cee336e9a27 [0,2,0,0,0,0|2,0,0]=4 8515 B13R0.113 CCCCC(=O)NCCCC(C)CO de12ed87ba690523ed1f7068d4f5d8d0 [0,2,0,0,0,0|2,0,0]=4 8516 B13R0.113 CCCCC(=O)NCCCN(C)CC 7ee52500f691b9cc8a5bed5fcede3d81 [0,2,0,0,0,0|2,0,0]=4 8517 B13R0.113 CCCCC(=O)OCNCC(Br)CBr b45f6fe05e819a533eddc37d3d1a5eae [0,2,0,0,0,0|2,0,0]=4 8518 B13R0.113 CCCCC(=O)OCNCC(C)CC 6a0ccc04f87a227032229d9631a11e21 [0,2,0,0,0,0|1,0,0]=3 8519 B13R0.113 CCCCC(=O)OCNCC(C)CO c1375cc71ec7b570437261a85f5271f7 [0,2,0,0,0,0|2,0,0]=4 8520 B13R0.113 CCCCC(=O)OCNCC(F)CO 2a08e7816147d59836b421b2b0db0da1 [0,2,0,0,0,0|2,0,0]=4 8521 B13R0.113 CCCCC(=O)OCNCC(O)CC 7f3f9c3030b122a3bb1140405d993633 [0,2,0,0,0,0|1,0,0]=3 8522 B13R0.113 CCCCC(=O)OCNCC(O)CO 9e720676654742c3f422fa4da7c5a0c0 [0,2,0,0,0,0|2,0,0]=4 8523 B13R0.113 CCCCC(=O)OCNC[C@@H](C)CC 72476407fc23c3c692d0e53c12211850 [0,2,0,0,0,0|1,0,0]=3 8524 B13R0.113 CCCCC(=O)OCNC[C@@H](C)OC db92c54bbc813ddaa6454a7dc7189fb0 [0,2,0,0,0,0|2,0,0]=4 8525 B13R0.113 CCCCC(=O)OCNC[C@@H](F)CO b5a2581724ff3e71d2d06a85ead50b12 [0,2,0,0,0,0|2,0,0]=4 8526 B13R0.113 CCCCC(=O)OCNC[C@@H](O)CO a785b037a5570cdcd8e15c73634c78a3 [0,2,0,0,0,0|2,0,0]=4 8527 B13R0.113 CCCCC(=O)OCNC[C@H](C)CO a473d8f2396da1b4491279c062cda0cc [0,2,0,0,0,0|2,0,0]=4 8528 B13R0.113 CCCCC(=O)OCNC[C@H](C)OC 204b17357c7174659d55e6057b8ca4e7 [0,2,0,0,0,0|2,0,0]=4 8529 B13R0.113 CCCCC(=O)OCNC[C@H](F)CO bf3df5543f740edbed00365fd21d7101 [0,2,0,0,0,0|2,0,0]=4 8530 B13R0.113 CCCCC(=O)OCNC[C@H](O)CC 6ce0b681dc7bda0889e9f59e829aaf02 [0,2,0,0,0,0|1,0,0]=3 8531 B13R0.113 CCCCC(=O)OCNC[C@H](O)CO 30b3aa1dee24b8577b40187f7963155f [0,2,0,0,0,0|2,0,0]=4 8532 B13R0.113 CCCCC(=O)OCOCC(=O)CC 41a6c9b55779b02227072f5c29127bfd [0,2,0,0,0,0|1,0,1]=4 8533 B13R0.113 CCCCC(=O)OCOCC(Br)CBr 618967e880e43583f770acbf4af11e77 [0,2,0,0,0,0|2,0,0]=4 8534 B13R0.113 CCCCC(=O)OCOCC(C)CC dbf35db61e9048b37fdf113b437c2e1a [0,2,0,0,0,0|1,0,0]=3 8535 B13R0.113 CCCCC(=O)OCOCC(C)OC ff2d58fb15a5237d1ab6658b26aabde6 [0,2,0,0,0,0|2,0,0]=4 8536 B13R0.113 CCCCC(=O)OCOCC(Cl)CCl bc293d0d9b7aaf22519cd147e008aea6 [0,2,0,0,0,0|2,0,0]=4 8537 B13R0.113 CCCCC(=O)OCOCC(S)CS 294922255bf3f4f979ccff7b9c21d9aa [0,2,0,0,0,0|2,0,0]=4 8538 B13R0.113 CCCCC(=O)OCOC[C@@H](C)CC 83a7611bb225b6e5b8bae50bd1f3f776 [0,2,0,0,0,0|1,0,0]=3 8539 B13R0.113 CCCCC(=O)OCOC[C@@H](C)OC 4248979b10ea9f7df50ecc42be6f3492 [0,2,0,0,0,0|2,0,0]=4 8540 B13R0.113 CCCCC(=O)OCOC[C@H](C)CC 5576c5fb36457827312635eb8c33a39e [0,2,0,0,0,0|1,0,0]=3 8541 B13R0.113 CCCCC(=O)OCOC[C@H](C)OC 6b006447eb34e6e25c27be713e3389ad [0,2,0,0,0,0|2,0,0]=4 8542 B13R0.113 CCCCC(C)OCCCC(C)CC bc1603955037d4ec9233e0d8fb281f0f [0,2,0,0,0,0|1,0,1]=4 8543 B13R0.113 CCCCC(C)OCCC[C@@H](C)CC 2bf3c14348ae0eb8568041daf2cef368 [0,2,0,0,0,0|1,0,1]=4 8544 B13R0.113 CCCNC(=O)CCCCC(C)CC 4f9acfc036eea8b7d7a3937b3996b131 [0,2,0,0,0,0|1,0,0]=3 8545 B13R0.113 CCCNC(=O)CCCC[C@@H](C)CC 10615fb126e2c3007d086d10b0454edd [0,2,0,0,0,0|1,0,0]=3 8546 B13R0.113 CCCNC(=O)CCCNC(C)CC bb3c1a2d44b172f65af20f3c07b18f1b [0,2,0,0,0,0|2,0,0]=4 8547 B13R0.113 CCCNC(=O)CCCN[C@@H](C)CC b66ca90ec6198ef4fb90667ab91dc7fa [0,2,0,0,0,0|2,0,0]=4 8548 B13R0.113 CCCNC(=O)CCCN[C@H](C)CC 1f96971761e408e129c7ba103bc96630 [0,2,0,0,0,0|2,0,0]=4 8549 B13R0.113 CCCNC(=O)CCCOC(C)CC eb9bb6e6a6f9cb5a44cba7d0802607ba [0,2,0,0,0,0|2,0,0]=4 8550 B13R0.113 CCCNC(=O)CCCO[C@@H](C)CC 5236dcdb1e510055d67288850dcfd770 [0,2,0,0,0,0|2,0,0]=4 8551 B13R0.113 CCCNC(=O)CCCO[C@H](C)CC ab6196cedf17c59445aa151a494a1d39 [0,2,0,0,0,0|2,0,0]=4 8552 B13R0.113 CCCNC(=O)CNCCC(C)CC b411621ee748ca34675ac41a5bcc4b29 [0,2,0,0,0,0|2,0,0]=4 8553 B13R0.113 CCCNC(=O)COCCC(C)CC 48ad5e422dd5879527b8c9a783c30bae [0,2,0,0,0,0|2,0,0]=4 8554 B13R0.113 CCCNC(=O)COCCC(S)CC aafb21e1a5456a76338cce4f8e86f2da [0,2,0,0,0,0|2,0,0]=4 8555 B13R0.113 CCCNC(=O)COCC[C@@H](C)CC ba7b458c9a360f20c33c27864d514a74 [0,2,0,0,0,0|2,0,0]=4 8556 B13R0.113 CCCNC(=O)NCCCC(C)CO 313f89737527eb054a0d64387a512fa1 [0,2,0,0,0,0|2,0,0]=4 8557 B13R0.113 CCCNC(=O)NCCCN(C)CC a0b2ea78c5a785fa8e9d7ee321731b62 [0,2,0,0,0,0|2,0,0]=4 8558 B13R0.113 CCCOC(=O)CCOCC(C)CC ae57cd615b928df7f90582c65fa77c29 [0,2,0,0,0,0|2,0,0]=4 8559 B13R0.113 CCCOC(=O)CCOC[C@@H](C)CC 5c9d5937cf295bde9faf0581ea6653be [0,2,0,0,0,0|2,0,0]=4 8560 B13R0.113 CCCOC(=O)CCOC[C@H](C)CC 389d00518eba6a8269dd68aa28962d57 [0,2,0,0,0,0|2,0,0]=4 8561 B13R0.113 CCCOC(=O)CNCCC(C)CC 932f043bf1c8ada504cd582053b02b76 [0,2,0,0,0,0|2,0,0]=4 8562 B13R0.113 CCCOC(=O)COCCC(C)CC 34d20a4116cc45506018a7314eb026ba [0,2,0,0,0,0|2,0,0]=4 8563 B13R0.113 CCCOC(=O)COCCC(S)CC 6de645b30ab09fc0daaf38b072f1cbcb [0,2,0,0,0,0|2,0,0]=4 8564 B13R0.113 CCCOC(=O)COCC[C@@H](C)CC 3e8658baa8d8795575504dc6241cdc01 [0,2,0,0,0,0|2,0,0]=4 8565 B13R0.113 CCCOC(=O)OCNCC(Br)CBr f94013a219887641475100f6c7beb9af [0,2,0,0,0,0|2,0,0]=4 8566 B13R0.113 CCCOC(=O)OCNCC(C)CC a099fb3e738b1ccfa861a0597d18fe0a [0,2,0,0,0,0|1,0,0]=3 8567 B13R0.113 CCCOC(=O)OCNCC(C)CO a18d33cac7d07a7a39138336e9df15cd [0,2,0,0,0,0|2,0,0]=4 8568 B13R0.113 CCCOC(=O)OCNCC(F)CO 58845ab5f8d1345b71946e1aa6f4e9f3 [0,2,0,0,0,0|2,0,0]=4 8569 B13R0.113 CCCOC(=O)OCNCC(O)CC fa0955e7b8912cad957f088819f6ee59 [0,2,0,0,0,0|1,0,0]=3 8570 B13R0.113 CCCOC(=O)OCNCC(O)CO 5c4a3e190e68f778b8b9209b09aa169d [0,2,0,0,0,0|2,0,0]=4 8571 B13R0.113 CCCOC(=O)OCNC[C@@H](C)CC 70f81dc9b5a3cb0f70d8a8512bd9357e [0,2,0,0,0,0|1,0,0]=3 8572 B13R0.113 CCCOC(=O)OCNC[C@@H](C)OC 51feafca56193cf1c3305e4f0cb38e27 [0,2,0,0,0,0|2,0,0]=4 8573 B13R0.113 CCCOC(=O)OCNC[C@@H](F)CO 2246d44492f2af6ddc5cc98f4905f1e8 [0,2,0,0,0,0|2,0,0]=4 8574 B13R0.113 CCCOC(=O)OCNC[C@@H](O)CO 643c066eedea78015463d7fdff52f6a1 [0,2,0,0,0,0|2,0,0]=4 8575 B13R0.113 CCCOC(=O)OCNC[C@H](C)CO 4d8355effdf0a46c61ac0b864e1adbbe [0,2,0,0,0,0|2,0,0]=4 8576 B13R0.113 CCCOC(=O)OCNC[C@H](C)OC 0c2d9be29418de534aa532359d0d4689 [0,2,0,0,0,0|2,0,0]=4 8577 B13R0.113 CCCOC(=O)OCNC[C@H](F)CO e17deb2695101b54cd11d5ab4d472b0f [0,2,0,0,0,0|2,0,0]=4 8578 B13R0.113 CCCOC(=O)OCNC[C@H](O)CC b7d22b25a921364e3eb61e2477237c87 [0,2,0,0,0,0|1,0,0]=3 8579 B13R0.113 CCCOC(=O)OCNC[C@H](O)CO 6ae2e0131f0abf2292d012551cf5f75f [0,2,0,0,0,0|2,0,0]=4 8580 B13R0.113 CCCOC(=O)OCOCC(=O)CC c3deccef1f91a2bae66a9311c5a43081 [0,2,0,0,0,0|1,0,1]=4 8581 B13R0.113 CCCOC(=O)OCOCC(Br)CBr 005c84779a0f347cabff4aaec4b134bf [0,2,0,0,0,0|2,0,0]=4 8582 B13R0.113 CCCOC(=O)OCOCC(C)CC 0d28a5a77ad4c11ed8c3bffd5e8695b9 [0,2,0,0,0,0|1,0,0]=3 8583 B13R0.113 CCCOC(=O)OCOCC(C)OC ee9ed2de86891a51eeab53c66b0dbefb [0,2,0,0,0,0|2,0,0]=4 8584 B13R0.113 CCCOC(=O)OCOCC(Cl)CCl 3de721ef9ba62259e3b9ccd960d4da7c [0,2,0,0,0,0|2,0,0]=4 8585 B13R0.113 CCCOC(=O)OCOCC(S)CS 27b0693a8a2d667936ed78fa6d157819 [0,2,0,0,0,0|2,0,0]=4 8586 B13R0.113 CCCOC(=O)OCOC[C@@H](C)CC 88fe9df29b4336fc78570e340709bbee [0,2,0,0,0,0|1,0,0]=3 8587 B13R0.113 CCCOC(=O)OCOC[C@@H](C)OC dd5c957163475b726d6cd1f1c3d3db13 [0,2,0,0,0,0|2,0,0]=4 8588 B13R0.113 CCCOC(=O)OCOC[C@H](C)CC 8119cb36537421b51fab64bb0db15fd9 [0,2,0,0,0,0|1,0,0]=3 8589 B13R0.113 CCCOC(=O)OCOC[C@H](C)OC ea9bba69773a8ed2ed792a622de1bc42 [0,2,0,0,0,0|2,0,0]=4 8590 B13R0.113 CCN(C)CCCNC(=O)CCCF b0af92975dbf41cb89638b10513f72d1 [0,2,0,0,0,0|2,0,0]=4 8591 B13R0.113 CCN(C)CCCNC(=O)CCCS a30d83f3b7cfdf5affd4338dd30b8566 [0,2,0,0,0,0|2,0,0]=4 8592 B13R0.113 CCN(C)CCCNC(=O)CCOC 79c1b504f7b9aec34d95dc5cda9f0fbc [0,2,0,0,0,0|2,0,0]=4 8593 B13R0.113 CCN(C)CCCNC(=O)CCSC 56636a5a7d3131805d9df1685a8c63d3 [0,2,0,0,0,0|2,0,0]=4 8594 B13R0.113 CCOCC(=O)NCCCC(C)CO 0a12cf316d3011e70ee81fd400230d39 [0,2,0,0,0,0|2,0,0]=4 8595 B13R0.113 CCOCC(=O)NCCCN(C)CC 53e065b53eca11e2ddc335245c27b6a6 [0,2,0,0,0,0|2,0,0]=4 8596 B13R0.113 CCSCC(=O)NCCCC(C)CO 62beee7f663231be28e1036cb42db3e3 [0,2,0,0,0,0|2,0,0]=4 8597 B13R0.113 CCSCC(=O)NCCCN(C)CC 57d52840674cff9d922afc3ac9c067a1 [0,2,0,0,0,0|2,0,0]=4 8598 B13R0.113 CC[C@H](C)CCCCC(=O)NCCBr 755cbbf8a56987e5662ca4fca6598de9 [0,2,0,0,0,0|2,0,0]=4 8599 B13R0.113 CC[C@H](C)CCCCC(=O)NCCF c6d3319c68a13c35e22a581ad0683f2a [0,2,0,0,0,0|2,0,0]=4 8600 B13R0.113 CC[C@H](C)CCCCC(=O)NCCI b1374ff552fc27488c0eab215f3ab48b [0,2,0,0,0,0|2,0,0]=4 8601 B13R0.113 CC[C@H](C)CCCCC(=O)NCCO 5eb51da646b1da1bb78f2662f3cca588 [0,2,0,0,0,0|2,0,0]=4 8602 B13R0.113 CC[C@H](C)CCCCC(=O)NCCS fae3d1c84d0ed8e88df6e600a32b59b8 [0,2,0,0,0,0|2,0,0]=4 8603 B13R0.113 CC[C@H](C)CCOCC(=O)CCSC b6fb9c48553d99aa985db68db3baa9f0 [0,2,0,0,0,0|2,0,0]=4 8604 B13R0.113 COCCC(=O)NCCCC(C)CO 3b27d8488726ce522058c0fcc3f68183 [0,2,0,0,0,0|2,0,0]=4 8605 B13R0.113 CSCCC(=O)NCCCC(C)CO 18c05e94174cacdad19f0132123df80e [0,2,0,0,0,0|2,0,0]=4 8606 B13R0.119 C=C(C)CCNCOC(=O)CCCC 3f4969f41f305ab36b785d2a75c7d13a [0,2,0,0,0,0|1,0,1]=4 8607 B13R0.119 C=C(C)CCNCOC(=O)OCCC 03c35f06cd5830771992785fff6bdf4b [0,2,0,0,0,0|1,0,1]=4 8608 B13R0.119 C=C(C)CCOCOC(=O)CCCC 4927c26eb3b866217bd0f5698e361934 [0,2,0,0,0,0|1,0,1]=4 8609 B13R0.119 C=C(C)CCOCOC(=O)OCCC b7cbea5fd3d0a1fb174eca7c207b5537 [0,2,0,0,0,0|1,0,1]=4 8610 B13R0.119 CC(C)CCCCCC(=O)NCCBr b989d98c54db5baa2d3f174511fb3ae7 [0,2,0,0,0,0|2,0,0]=4 8611 B13R0.119 CC(C)CCCCCC(=O)NCCF 74d5d1af172e17bfff3e6146b4946a8d [0,2,0,0,0,0|2,0,0]=4 8612 B13R0.119 CC(C)CCCCCC(=O)NCCI 32413091ac27befc02d69e4080911265 [0,2,0,0,0,0|2,0,0]=4 8613 B13R0.119 CC(C)CCCCCC(=O)NCCO 2c48be08f5e3e4d5544674f4e978d168 [0,2,0,0,0,0|2,0,0]=4 8614 B13R0.119 CC(C)CCCCCC(=O)NCCS 525103abe36e061ac384cddf509522fb [0,2,0,0,0,0|2,0,0]=4 8615 B13R0.119 CC(C)OCCCNC(=O)CCCF 6d03a8b67f937c981b846f0002c78d58 [0,2,0,0,0,0|2,0,0]=4 8616 B13R0.119 CC(C)OCCCNC(=O)CCCS 30bf04d7ca988e1cb0546b5e6e7406ff [0,2,0,0,0,0|2,0,0]=4 8617 B13R0.119 CC(C)SCCCNC(=O)CCCF 403601d714c0e6da62bcf33519c5a00b [0,2,0,0,0,0|2,0,0]=4 8618 B13R0.119 CC(C)SCCCNC(=O)CCCS 8b71a93e97a1fca3d0153464a727e5b8 [0,2,0,0,0,0|2,0,0]=4 8619 B13R0.119 CC(O)CCCCCC(=O)NCCBr 899791fd19d59dbc9bdaa8f34b61ee15 [0,2,0,0,0,0|2,0,0]=4 8620 B13R0.119 CC(O)CCCCCC(=O)NCCF b5bb04e2bb37e6522a19401d83e4e616 [0,2,0,0,0,0|2,0,0]=4 8621 B13R0.119 CC(O)CCCCCC(=O)NCCI 7df589eca43737ee909dfb067719b64a [0,2,0,0,0,0|2,0,0]=4 8622 B13R0.119 CC(O)CCCCCC(=O)NCCO c5e462d6dbf7ccdccca9dc5607711dda [0,2,0,0,0,0|2,0,0]=4 8623 B13R0.119 CC(O)CCCCCC(=O)NCCS d50c6dadccbc553e8fa5405de14da029 [0,2,0,0,0,0|2,0,0]=4 8624 B13R0.119 CCCCC(=O)NCCCCC(F)F c9ca3bdfcd7920f70345264f0001354b [0,2,0,0,0,0|2,0,0]=4 8625 B13R0.119 CCCCC(=O)NCCCCN(C)C 2b69b9981ea60cccf271388f3c7d3ed6 [0,2,0,0,0,0|2,0,0]=4 8626 B13R0.119 CCCCC(=O)NCCCOC(C)C cc0bb09402f85da3f40b1b8f4a1b64f2 [0,2,0,0,0,0|2,0,0]=4 8627 B13R0.119 CCCCC(=O)NCCCSC(C)C 556a69d11cc575a971ed192f1bb4ca23 [0,2,0,0,0,0|2,0,0]=4 8628 B13R0.119 CCCCC(=O)OCNCCC(C)C a0b7c7562f864aff73f3451504a025f0 [0,2,0,0,0,0|1,0,0]=3 8629 B13R0.119 CCCCC(=O)OCNCCC(C)O f97487f791e091b511bfc80fba15fbdb [0,2,0,0,0,0|1,0,0]=3 8630 B13R0.119 CCCCC(=O)OCNCCC(F)F df3718231f4332c25a8cede1c6a776ef [0,2,0,0,0,0|2,0,0]=4 8631 B13R0.119 CCCCC(=O)OCNCCN(C)C a7a04e74b3df3eedcf3d0ae6de48a390 [0,2,0,0,0,0|2,0,0]=4 8632 B13R0.119 CCCCC(=O)OCNCCS(=O)C f1496303d5097969be2c817bcf78226d [0,2,0,0,0,0|2,0,0]=4 8633 B13R0.119 CCCCC(=O)OCNCC[C@@H](C)O a96d79caf2c1470fe9eec82b5b7213ec [0,2,0,0,0,0|1,0,0]=3 8634 B13R0.119 CCCCC(=O)OCNCC[C@H](C)O 9ccf9a03ec36dd85875187f4ca3fdbe7 [0,2,0,0,0,0|1,0,0]=3 8635 B13R0.119 CCCCC(=O)OCOCCC(=O)C 2ecf0b3a2a9adc1681303167431aa140 [0,2,0,0,0,0|1,0,1]=4 8636 B13R0.119 CCCCC(=O)OCOCCC(C)C 25893ea2f9eb45162f6282610f17070d [0,2,0,0,0,0|1,0,0]=3 8637 B13R0.119 CCCCC(=O)OCOCCC(F)F 953835dabe7934f23838a4aebe8a3a50 [0,2,0,0,0,0|2,0,0]=4 8638 B13R0.119 CCCCC(=O)OCOCCN(C)C 80d60d8f920e61f5f4e9c7c81a65d603 [0,2,0,0,0,0|2,0,0]=4 8639 B13R0.119 CCCCC(=O)OCOCCS(=O)C 3d1a04360bbe50e82f91e91422f507fd [0,2,0,0,0,0|2,0,0]=4 8640 B13R0.119 CCCCC(C)OCCCCC(C)C caac42b4c7489d39c7d9194e65c30f77 [0,2,0,0,0,0|1,0,1]=4 8641 B13R0.119 CCCC[C@@H](C)OCCCCC(C)C 4e9359054a6bf0637eb1ca9edb989870 [0,2,0,0,0,0|1,0,1]=4 8642 B13R0.119 CCCC[C@H](C)OCCCCC(C)C f52d08497a1602accbd5b6a4dda73e56 [0,2,0,0,0,0|1,0,1]=4 8643 B13R0.119 CCCNC(=O)CCCCCC(=O)C aab774b309d69dafda44ad52207fa9ea [0,2,0,0,0,0|1,0,1]=4 8644 B13R0.119 CCCNC(=O)CCCCCC(C)C e17d0828e2aa9452a8691837df9b9cc5 [0,2,0,0,0,0|1,0,0]=3 8645 B13R0.119 CCCNC(=O)CCCCCC(C)O e886bacacc4d500efc0dcd655220bee2 [0,2,0,0,0,0|1,0,0]=3 8646 B13R0.119 CCCNC(=O)CCCCCC(F)F fcbe9a2b986e7bed659445194ebc53f0 [0,2,0,0,0,0|2,0,0]=4 8647 B13R0.119 CCCNC(=O)CCCCCN(C)C 3358e765d949113bfd0be3b3aa3d15ee [0,2,0,0,0,0|2,0,0]=4 8648 B13R0.119 CCCNC(=O)CCCNCC(C)C 182393a198f2825e688d9fdfe8da4832 [0,2,0,0,0,0|2,0,0]=4 8649 B13R0.119 CCCNC(=O)CCCNCC(C)O a7a230aca410a7830a63b72be919b4db [0,2,0,0,0,0|2,0,0]=4 8650 B13R0.119 CCCNC(=O)CCCNC[C@@H](C)O dd4d8e4646e943ecf7189a8422e967bb [0,2,0,0,0,0|2,0,0]=4 8651 B13R0.119 CCCNC(=O)CCCNC[C@H](C)O d89d8a5cc29ee1bfc35adfa1e09b1d89 [0,2,0,0,0,0|2,0,0]=4 8652 B13R0.119 CCCNC(=O)CCCOCC(C)C 724c5c6ec088130c07e2246fb2bd7b48 [0,2,0,0,0,0|2,0,0]=4 8653 B13R0.119 CCCNC(=O)CCCOCC(C)F bda4e2406b1498e5fee926fc2f003287 [0,2,0,0,0,0|2,0,0]=4 8654 B13R0.119 CCCNC(=O)CCCOCC(C)S c4b7b70fc3b8d237b10bb049052ef997 [0,2,0,0,0,0|2,0,0]=4 8655 B13R0.119 CCCNC(=O)CCCOC[C@@H](C)F d37f52668cbea2eab5b87fc1c37377bc [0,2,0,0,0,0|2,0,0]=4 8656 B13R0.119 CCCNC(=O)CCCOC[C@H](C)F 8cb74f47cc011332ec1e681247dd1c15 [0,2,0,0,0,0|2,0,0]=4 8657 B13R0.119 CCCNC(=O)CNCCCC(C)C 4a6855c66d99408736360586c0b4f9a2 [0,2,0,0,0,0|2,0,0]=4 8658 B13R0.119 CCCNC(=O)CNCCCC(C)O 33dde16654627ae98d07a26a9f79dde0 [0,2,0,0,0,0|2,0,0]=4 8659 B13R0.119 CCCNC(=O)COCCCC(C)C 4a12ce92aef51f29652faa4bffaeca08 [0,2,0,0,0,0|2,0,0]=4 8660 B13R0.119 CCCNC(=O)NCCCCC(F)F 0800e230f79ac722f47498f4b29112d8 [0,2,0,0,0,0|2,0,0]=4 8661 B13R0.119 CCCNC(=O)NCCCCN(C)C f7f59a7bca97e4bd9afba4fde311aadb [0,2,0,0,0,0|2,0,0]=4 8662 B13R0.119 CCCNC(=O)NCCCOC(C)C a5c455e4e733ef873300ce1dcaa64cfc [0,2,0,0,0,0|2,0,0]=4 8663 B13R0.119 CCCNC(=O)NCCCSC(C)C 144fede79f4c21b6d2d5afe83a4b6d7d [0,2,0,0,0,0|2,0,0]=4 8664 B13R0.119 CCCOC(=O)CCOCCC(C)C b1371855413cb3a4411751bbe19f9d1e [0,2,0,0,0,0|2,0,0]=4 8665 B13R0.119 CCCOC(=O)CNCCCC(C)C 888c132829f70e53e09b23f22d32b9f3 [0,2,0,0,0,0|2,0,0]=4 8666 B13R0.119 CCCOC(=O)COCCCC(C)C a14a80ef1eb71d5a1e452b7008cb8331 [0,2,0,0,0,0|2,0,0]=4 8667 B13R0.119 CCCOC(=O)OCNCCC(C)C 93f51f90145f0e8fc0878108be477b0b [0,2,0,0,0,0|1,0,0]=3 8668 B13R0.119 CCCOC(=O)OCNCCC(C)O 3d2289f556e3a544b9961268fa9ae79a [0,2,0,0,0,0|1,0,0]=3 8669 B13R0.119 CCCOC(=O)OCNCCC(F)F 2898e0f92cd4486596fa161a19b9576d [0,2,0,0,0,0|2,0,0]=4 8670 B13R0.119 CCCOC(=O)OCNCCN(C)C 81b02972e41d53c0c094d7da1696b579 [0,2,0,0,0,0|2,0,0]=4 8671 B13R0.119 CCCOC(=O)OCNCCS(=O)C 84644fdd422886a89b9af9245e5c4dc0 [0,2,0,0,0,0|2,0,0]=4 8672 B13R0.119 CCCOC(=O)OCNCC[C@@H](C)O ecb263b4f326f79df8cec1366339c265 [0,2,0,0,0,0|1,0,0]=3 8673 B13R0.119 CCCOC(=O)OCNCC[C@H](C)O 25c224bf23276b08b4e0129933e4f2b0 [0,2,0,0,0,0|1,0,0]=3 8674 B13R0.119 CCCOC(=O)OCOCCC(=O)C 9f71af2843d627ea7cca68bfeee1a47f [0,2,0,0,0,0|1,0,1]=4 8675 B13R0.119 CCCOC(=O)OCOCCC(C)C c943eee07ce0e886813be36ff78a1da9 [0,2,0,0,0,0|1,0,0]=3 8676 B13R0.119 CCCOC(=O)OCOCCC(F)F c9f0d441133810a7791181abe85fedfc [0,2,0,0,0,0|2,0,0]=4 8677 B13R0.119 CCCOC(=O)OCOCCN(C)C 93d3198dec9814598a8e1462fabb9bba [0,2,0,0,0,0|2,0,0]=4 8678 B13R0.119 CCCOC(=O)OCOCCS(=O)C 17b147c7af6589847b78d6d6246e116a [0,2,0,0,0,0|2,0,0]=4 8679 B13R0.119 CCOCC(=O)NCCCCC(F)F 9cb7702d118ea80fb1914c6420b4cd42 [0,2,0,0,0,0|2,0,0]=4 8680 B13R0.119 CCOCC(=O)NCCCCN(C)C ff1175879da8ecd72b20f1fd5106ab6c [0,2,0,0,0,0|2,0,0]=4 8681 B13R0.119 CCOCC(=O)NCCCOC(C)C 1c430ce6fa9b0cb619d6d2dae57d29d6 [0,2,0,0,0,0|2,0,0]=4 8682 B13R0.119 CCOCC(=O)NCCCSC(C)C 77953397a5d6e3a23266838fc3395f4e [0,2,0,0,0,0|2,0,0]=4 8683 B13R0.119 CCOCC(C)OCCCCC(C)C 2d3aa71ad14e9178a12d3158a17e8379 [0,2,0,0,0,0|1,0,1]=4 8684 B13R0.119 CCSCC(=O)NCCCCC(F)F 15dccc5b21475baaf9c2460ce6cbe66e [0,2,0,0,0,0|2,0,0]=4 8685 B13R0.119 CCSCC(=O)NCCCCN(C)C 51d0c48b788982101419ba134e5f5cfa [0,2,0,0,0,0|2,0,0]=4 8686 B13R0.119 CCSCC(=O)NCCCOC(C)C f8317e9fe0e3c1da1b047908dea99f71 [0,2,0,0,0,0|2,0,0]=4 8687 B13R0.119 CCSCC(=O)NCCCSC(C)C ab15873c501e1f0c4100d5e460074d7f [0,2,0,0,0,0|2,0,0]=4 8688 B13R0.119 CN(C)CCCCNC(=O)CCCF e739e72e54285ae4a5a86b36fe6899ba [0,2,0,0,0,0|2,0,0]=4 8689 B13R0.119 CN(C)CCCCNC(=O)CCCS 590b8ace3c6541f9d5772686b6ce2c18 [0,2,0,0,0,0|2,0,0]=4 8690 B13R0.119 COCCC(=O)NCCCCC(F)F b9be2da97f7c892037a47f7b2c0eeae6 [0,2,0,0,0,0|2,0,0]=4 8691 B13R0.119 COCCC(=O)NCCCCN(C)C 788d11881f76d9d2cd9588d7e6e4c6ef [0,2,0,0,0,0|2,0,0]=4 8692 B13R0.119 COCCC(=O)NCCCOC(C)C 6f074d349d345a47c9cda91f4d6c9b3b [0,2,0,0,0,0|2,0,0]=4 8693 B13R0.119 COCCC(=O)NCCCSC(C)C e453665e26b9e9409413905b55870756 [0,2,0,0,0,0|2,0,0]=4 8694 B13R0.119 COCCC(C)OCCCCC(C)C 6e7f554f16dbdb22f576345d43cf2686 [0,2,0,0,0,0|1,0,1]=4 8695 B13R0.119 CSCCC(=O)CNCCCC(C)C 60ef05381fd4f2b32a8c6e5948b62045 [0,2,0,0,0,0|2,0,0]=4 8696 B13R0.119 CSCCC(=O)COCCCC(C)C 6cc63530f4a92bcb4285d11f35b654f8 [0,2,0,0,0,0|2,0,0]=4 8697 B13R0.119 CSCCC(=O)NCCCCC(F)F 6fca2c1b32a2f53211c26af99e797ef4 [0,2,0,0,0,0|2,0,0]=4 8698 B13R0.119 CSCCC(=O)NCCCCN(C)C 548d3e345a857c7eb094c1d954f59a58 [0,2,0,0,0,0|2,0,0]=4 8699 B13R0.119 CSCCC(=O)NCCCOC(C)C a4079b99dd023d0af7ff61c49b4980d8 [0,2,0,0,0,0|2,0,0]=4 8700 B13R0.119 CSCCC(=O)NCCCSC(C)C 393b17f6a1a5b93be2dd3e954b0b25ef [0,2,0,0,0,0|2,0,0]=4 8701 B13R0.119 CSCCC(C)OCCCCC(C)C efc02af66a6d56fd3b85bfe41a98cc1d [0,2,0,0,0,0|1,0,1]=4 8702 B13R0.119 O=C(CCCF)NCCCCC(F)F 95db940e0bd2b1d5c8f437b4d6b1debb [0,2,0,0,0,0|2,0,0]=4 8703 B13R0.119 O=C(CCCS)NCCCCC(F)F eb5f60007aa7e90271fd74b2308930c6 [0,2,0,0,0,0|2,0,0]=4 8704 B13R0.154 C=C(C)CCC(=O)NCCCCCC cef3c7d65ce7df43a0de75eba8e05f3c [0,2,0,0,0,0|1,0,0]=3 8705 B13R0.154 C=C(C)CCC(=O)NCCCCCCl 885ec709d59faae986776a8333f7f9b1 [0,2,0,0,0,0|2,0,0]=4 8706 B13R0.154 C=C(C)CCC(=O)NCCCCCO d8117af2b2f59ec124f7b4a9f9d84477 [0,2,0,0,0,0|2,0,0]=4 8707 B13R0.154 C=C(C)CCC(=O)NCCCCOC 29deaa1ca2841f0da3d44405ef52936c [0,2,0,0,0,0|2,0,0]=4 8708 B13R0.154 C=C(C)CCC(=O)NCCCCSC b0e14229ab3bbb24939cfdbcb7d9fe79 [0,2,0,0,0,0|2,0,0]=4 8709 B13R0.154 C=C(C)CCC(=O)NCCCOCC 616433b05dbbe31ce919b51173e3365b [0,2,0,0,0,0|2,0,0]=4 8710 B13R0.154 C=C(C)CCC(=O)NCCOCCC a2583a5e98846626355860f018919a43 [0,2,0,0,0,0|2,0,0]=4 8711 B13R0.154 C=C(C)CNC(=O)CCCCCCC 9231003a33a4127d76c02613627cefb3 [0,2,0,0,0,0|1,0,1]=4 8712 B13R0.154 C=C(C)CNC(=O)NCCCCCC d90df40dda10edcff5c8593b43695480 [0,2,0,0,0,0|1,0,1]=4 8713 B13R0.154 CC(=O)CCC(=O)NCCCCCCl dcae2efd9c542af3f657c73ebb996378 [0,2,0,0,0,0|2,0,0]=4 8714 B13R0.154 CC(=O)CCC(=O)NCCCCCO ea8ef3d074a719fe130af90e0af3543d [0,2,0,0,0,0|2,0,0]=4 8715 B13R0.154 CC(C)CCC(=O)NCCCCCCl 3813ad5a80f8218b18957b78a971566a [0,2,0,0,0,0|2,0,0]=4 8716 B13R0.154 CC(C)CCC(=O)NCCCCCO 8d308ee600bdbb7b905ecbaf1773430b [0,2,0,0,0,0|2,0,0]=4 8717 B13R0.154 CC(C)CNC(=O)CCCCCCF 96dbbbc467d92b9090cb3030731fe8a7 [0,2,0,0,0,0|2,0,0]=4 8718 B13R0.154 CC(C)CNC(=O)CCCCCCO c2e25b3efbc786f5e85b54836a61a7b5 [0,2,0,0,0,0|2,0,0]=4 8719 B13R0.154 CC(C)CNC(=O)CCCCCCS 082fd39e7b50619ba0346b6cb34db8e8 [0,2,0,0,0,0|2,0,0]=4 8720 B13R0.154 CC(C)CNC(=O)NCCCCCN 7fa10468c83b0866fc67819925f16505 [0,2,0,0,0,0|2,0,0]=4 8721 B13R0.154 CC(C)CNC(=O)NCCCCCO 4ca05344b20c7f04ef3bdafc79383a19 [0,2,0,0,0,0|2,0,0]=4 8722 B13R0.154 CC(C)OCC(=O)NCCCCCCl b87bcb9035d81f5f7895ca4ffa39185b [0,2,0,0,0,0|2,0,0]=4 8723 B13R0.154 CC(C)OCC(=O)NCCCCCO cdab2e3a1e7804d9d3cba9957ac6ba2f [0,2,0,0,0,0|2,0,0]=4 8724 B13R0.154 CC(C)SCC(=O)NCCCCCCl 8c345edf0f6ba36e5fe652c599813cc4 [0,2,0,0,0,0|2,0,0]=4 8725 B13R0.154 CC(C)SCC(=O)NCCCCCO f15f559ee930c416852f06a30fa90a95 [0,2,0,0,0,0|2,0,0]=4 8726 B13R0.154 CC(O)CCC(=O)NCCCCCCl c085ab1262c06eae9f125a4ba1874901 [0,2,0,0,0,0|2,0,0]=4 8727 B13R0.154 CC(O)CCC(=O)NCCCCCO 3e7d2a9d8a3379846d7ef8a94e4153de [0,2,0,0,0,0|2,0,0]=4 8728 B13R0.154 CC(O)CNC(=O)CCCCCCF 5424099043665a4526151d26a518976c [0,2,0,0,0,0|2,0,0]=4 8729 B13R0.154 CC(O)CNC(=O)CCCCCCO cb046afa67ab99b71ae85272e7b39f4b [0,2,0,0,0,0|2,0,0]=4 8730 B13R0.154 CC(O)CNC(=O)CCCCCCS 9fc9126c6b4a3d402b202de498f93e9e [0,2,0,0,0,0|2,0,0]=4 8731 B13R0.154 CC(O)CNC(=O)NCCCCCN fe27cced04a71150fa0b382decacafaf [0,2,0,0,0,0|2,0,0]=4 8732 B13R0.154 CC(O)CNC(=O)NCCCCCO 608efd4e236f6047416c8d44bc685d18 [0,2,0,0,0,0|2,0,0]=4 8733 B13R0.154 CC(S)CCC(=O)NCCCCCCl 64d12cbc9f036ff8e88aeb476d2a8a09 [0,2,0,0,0,0|2,0,0]=4 8734 B13R0.154 CC(S)CCC(=O)NCCCCCO 527d94a001b3beeab36abdb8917f1270 [0,2,0,0,0,0|2,0,0]=4 8735 B13R0.154 CCCCC/C=C/C(=O)NCC(C)C bfea75d8231b7a1055adb314d9b0231b [0,2,0,0,0,0|1,0,1]=4 8736 B13R0.154 CCCCC/C=C/C(=O)NCC(C)O 749dd71b370213e0a5e74829697868a5 [0,2,0,0,0,0|1,0,1]=4 8737 B13R0.154 CCCCC/C=C/C(=O)NC[C@@H](C)O de7a7404dd0799495137dea1b1ef31c8 [0,2,0,0,0,0|1,0,1]=4 8738 B13R0.154 CCCCC/C=C/C(=O)NC[C@H](C)O 62e7a2e0b73ee34d4e5bb995d5e9e642 [0,2,0,0,0,0|1,0,1]=4 8739 B13R0.154 CCCCCC#CC(=O)NCC(C)C 8aaf7717738a820326a077794ecc590e [0,2,0,0,0,0|1,0,1]=4 8740 B13R0.154 CCCCCC#CC(=O)NCC(C)O e0979832255e397062230305dc12f60e [0,2,0,0,0,0|1,0,1]=4 8741 B13R0.154 CCCCCC#CC(=O)NC[C@@H](C)O 2eec2b94228202c55d6457132370adae [0,2,0,0,0,0|1,0,1]=4 8742 B13R0.154 CCCCCC#CC(=O)NC[C@H](C)O 47ba28c20dfec332581fa5d05f448061 [0,2,0,0,0,0|1,0,1]=4 8743 B13R0.154 CCCCCCCC(=O)NCC(=O)C e58b2437054550a8af6e78455f3cf9ee [0,2,0,0,0,0|1,0,1]=4 8744 B13R0.154 CCCCCCCC(=O)NCC(C)C d825ac6cd38055a6a285254f1c1cf68c [0,2,0,0,0,0|1,0,0]=3 8745 B13R0.154 CCCCCCCC(=O)NCC(C)O 15b12f6480198cd69becce71f6b27fd3 [0,2,0,0,0,0|1,0,0]=3 8746 B13R0.154 CCCCCCCC(=O)NCC(F)F 762ad8b2894479320d88bbd4020f093d [0,2,0,0,0,0|2,0,0]=4 8747 B13R0.154 CCCCCCCC(=O)NC[C@@H](C)O 9b821dbc8c2413833fde4cee62ab6eec [0,2,0,0,0,0|1,0,0]=3 8748 B13R0.154 CCCCCCCC(=O)NC[C@H](C)O 7079c43b3a87debffb9f2e06e6894187 [0,2,0,0,0,0|1,0,0]=3 8749 B13R0.154 CCCCCCNC(=O)/C=C/C(C)C 9837a6f1a44ad83b7888350060f18b0f [0,2,0,0,0,0|1,0,1]=4 8750 B13R0.154 CCCCCCNC(=O)CC=C(C)C c6f80dd4274d0b9935f4a79d42da04b0 [0,2,0,0,0,0|1,0,1]=4 8751 B13R0.154 CCCCCCNC(=O)CCC(=O)C 440be52a6dab11c6abe78a13c927a55e [0,2,0,0,0,0|1,0,0]=3 8752 B13R0.154 CCCCCCNC(=O)CCC(=O)N 2960dd375f66237ffd3a19dcc728703b [0,2,0,0,0,0|1,0,1]=4 8753 B13R0.154 CCCCCCNC(=O)CCC(C)C 7f6d618c5aff4af5e3147258c5d62a2b [0,2,0,0,0,0|1,0,0]=3 8754 B13R0.154 CCCCCCNC(=O)CCC(C)O 43fea56a6d1b59daba80a7faaa98236f [0,2,0,0,0,0|1,0,0]=3 8755 B13R0.154 CCCCCCNC(=O)CCC(C)S 033b15bf7830ebe6370d0768c729357a [0,2,0,0,0,0|1,0,0]=3 8756 B13R0.154 CCCCCCNC(=O)CCC(F)F 26d40f1277f96b370b2f9b036980e80d [0,2,0,0,0,0|1,0,0]=3 8757 B13R0.154 CCCCCCNC(=O)CCN(C)C 5d96d7bc58de66ba0cea608e0c7ad3a8 [0,2,0,0,0,0|1,0,0]=3 8758 B13R0.154 CCCCCCNC(=O)CCS(=O)C 2722780681f14c5342aab9c2869d993c [0,2,0,0,0,0|1,0,0]=3 8759 B13R0.154 CCCCCCNC(=O)CC[C@H](C)S 6e4d08e7e0b05fd203eb77b6cf931e49 [0,2,0,0,0,0|1,0,0]=3 8760 B13R0.154 CCCCCCNC(=O)CC[N+](=O)[O-] 7d8974943a5b06d1b9b0e1cbd761e28d [0,2,0,0,0,0|2,0,0]=4 8761 B13R0.154 CCCCCCNC(=O)CNC(=O)C f3261a5f4d6f16da732d51b851466aaa [0,2,0,0,0,0|1,0,1]=4 8762 B13R0.154 CCCCCCNC(=O)CNC(=S)C 2d0075cf506f8a3e375a5bf21dfefe53 [0,2,0,0,0,0|1,0,1]=4 8763 B13R0.154 CCCCCCNC(=O)COC(=O)C d3bcc3110d92dd7e6864de9361d459c3 [0,2,0,0,0,0|1,0,1]=4 8764 B13R0.154 CCCCCCNC(=O)COC(C)C ce8348b1f6aed6290043dbe5bfe42ad2 [0,2,0,0,0,0|1,0,0]=3 8765 B13R0.154 CCCCCCNC(=O)COC(F)F bdf9fbf6c69e5e1a102520ecdc8ec00d [0,2,0,0,0,0|2,0,0]=4 8766 B13R0.154 CCCCCCNC(=O)CSC(=O)C aa059188c291ffc7e9cc37c86e662f5e [0,2,0,0,0,0|1,0,1]=4 8767 B13R0.154 CCCCCCNC(=O)CSC(C)C e0f7ca0d443a927ba412dec1c8478077 [0,2,0,0,0,0|1,0,0]=3 8768 B13R0.154 CCCCCCNC(=O)CSC(F)F 680e53c1538d81c1a3e92242b8dc5809 [0,2,0,0,0,0|2,0,0]=4 8769 B13R0.154 CCCCCCNC(=O)NCC(=O)C 7828a7c3b98e686bc396d54856117013 [0,2,0,0,0,0|1,0,1]=4 8770 B13R0.154 CCCCCCNC(=O)NCC(C)C 6fd583203d83bcfb01294e763d630e74 [0,2,0,0,0,0|1,0,0]=3 8771 B13R0.154 CCCCCCNC(=O)NCC(C)O e8332d6b0b4907d2485be107049bd85e [0,2,0,0,0,0|1,0,0]=3 8772 B13R0.154 CCCCCCNC(=O)NCC(F)F f1d3f1dba111a64ccf40f179f007602f [0,2,0,0,0,0|2,0,0]=4 8773 B13R0.154 CCCCCCNC(=O)NC[C@@H](C)O f30e1e3738ee1427926087738ec31ff5 [0,2,0,0,0,0|1,0,0]=3 8774 B13R0.154 CCCCCCNC(=O)NC[C@H](C)O faac69a72af13792293159e14a2572b2 [0,2,0,0,0,0|1,0,0]=3 8775 B13R0.154 CCCCCCNC(=S)NCC(C)C 81c6da2f67fac0564ed27e38d6b1e7ef [0,2,0,0,0,0|1,1,0]=4 8776 B13R0.154 CCCCCCNC(=S)NCC(C)O c475356dd196b40cb5b046e30c7ce4d0 [0,2,0,0,0,0|1,1,0]=4 8777 B13R0.154 CCCCCCNC(=S)NC[C@@H](C)O 7a2769d1ca443a7b0646abfcde1c1b66 [0,2,0,0,0,0|1,1,0]=4 8778 B13R0.154 CCCCCCNC(=S)NC[C@H](C)O 1f41cd1313a3f5f4aa19fe4415a13086 [0,2,0,0,0,0|1,1,0]=4 8779 B13R0.154 CCCCCCOC(C)CCC(C)C a309034b12272365873a41b2fb8f82cf [0,2,0,0,0,0|1,0,1]=4 8780 B13R0.154 CCCCCCOC(C)CCN(C)C 00ffa645dea9158a3fe214431962f6c8 [0,2,0,0,0,0|1,0,1]=4 8781 B13R0.154 CCCCCCOC(C)COC(C)C f5ab5b5aede273953def256e715d5842 [0,2,0,0,0,0|1,0,1]=4 8782 B13R0.154 CCCCCCO[C@@H](C)COC(C)C 3ccbdeeb26c1a172afb90349bac7f729 [0,2,0,0,0,0|1,0,1]=4 8783 B13R0.154 CCCCCNCC(=O)NCC(C)C 4e573796527811642eea5007d6db605a [0,2,0,0,0,0|2,0,0]=4 8784 B13R0.154 CCCCCOCC(=O)NCC(C)C 5af5ae19e1d5517f4f93a7d639d5c4a6 [0,2,0,0,0,0|2,0,0]=4 8785 B13R0.154 CCCCOCCC(=O)NCC(C)C 54139606b0c0726cdfb0627ddcb757e8 [0,2,0,0,0,0|2,0,0]=4 8786 B13R0.154 CCCCOCCC(=O)NCC(C)O 2acba14b3cd5086242af3725008874b8 [0,2,0,0,0,0|2,0,0]=4 8787 B13R0.154 CCCCOCCC(=O)NC[C@@H](C)O a2d8699498dd674b3cfdc39352f503de [0,2,0,0,0,0|2,0,0]=4 8788 B13R0.154 CCCCOCCC(=O)NC[C@H](C)O 96a95a59ef0b52700c0aceccf508135a [0,2,0,0,0,0|2,0,0]=4 8789 B13R0.154 CCCNCCCC(=O)NCC(C)C 025d4f702745fbaf56f29918ed573944 [0,2,0,0,0,0|2,0,0]=4 8790 B13R0.154 CCCOCCCC(=O)NCC(C)C 69c3a160054d843374cd6da7651f28c9 [0,2,0,0,0,0|2,0,0]=4 8791 B13R0.154 CCCOCCNC(=O)CCC(=O)C 656ddfd6b14102459b3c9233f48b4076 [0,2,0,0,0,0|2,0,0]=4 8792 B13R0.154 CCCOCCNC(=O)CCC(C)C 75afbec44df5f4868ed0bb53116191ed [0,2,0,0,0,0|2,0,0]=4 8793 B13R0.154 CCCOCCNC(=O)CCC(C)O 6730909d74bbb5fdebc909b0cccc7c13 [0,2,0,0,0,0|2,0,0]=4 8794 B13R0.154 CCCOCCNC(=O)CCC(C)S 6d9068458bd974cd3e527251814917c5 [0,2,0,0,0,0|2,0,0]=4 8795 B13R0.154 CCCOCCNC(=O)CCC(F)F 2b26c1113d3ede304c60af02407cd72d [0,2,0,0,0,0|2,0,0]=4 8796 B13R0.154 CCCOCCNC(=O)CCN(C)C 37898cdb1ab78683ca3cec088db6b12b [0,2,0,0,0,0|2,0,0]=4 8797 B13R0.154 CCCOCCNC(=O)CCS(=O)C 84005e17c5177f3ac44a174446b1f94d [0,2,0,0,0,0|2,0,0]=4 8798 B13R0.154 CCCOCCNC(=O)CC[C@H](C)S b0baa3d799910ef27f93284fb8d23e02 [0,2,0,0,0,0|2,0,0]=4 8799 B13R0.154 CCCOCCNC(=O)COC(C)C 26ce420b8901293d1f20291e6402752e [0,2,0,0,0,0|2,0,0]=4 8800 B13R0.154 CCCOCCNC(=O)CSC(C)C 3910404a55d8afcf76cae760a9c891e6 [0,2,0,0,0,0|2,0,0]=4 8801 B13R0.154 CCCOCCNC(=O)NCC(C)C 9f8bf7198d25c0ad844a7557d49c4273 [0,2,0,0,0,0|2,0,0]=4 8802 B13R0.154 CCCOCCNC(=O)NCC(C)O 645d6d68ce2cf9e11ba19eba39ca3491 [0,2,0,0,0,0|2,0,0]=4 8803 B13R0.154 CCCOCCNC(=O)NC[C@@H](C)O ef0065b8fef5ed3beb58e3e756de749f [0,2,0,0,0,0|2,0,0]=4 8804 B13R0.154 CCCOCCNC(=O)NC[C@H](C)O d971474370609dd6d23b03c6bddd858f [0,2,0,0,0,0|2,0,0]=4 8805 B13R0.154 CCOCCCCC(=O)NCC(C)C 72b345752daf26cdc114127d07bb562f [0,2,0,0,0,0|2,0,0]=4 8806 B13R0.154 CCOCCCCC(=O)NCC(C)O 200a733af6c99b64881bc9f6c294aea9 [0,2,0,0,0,0|2,0,0]=4 8807 B13R0.154 CCOCCCCC(=O)NC[C@@H](C)O 60a6781e62e725b0548c4735c1de81cd [0,2,0,0,0,0|2,0,0]=4 8808 B13R0.154 CCOCCCCC(=O)NC[C@H](C)O dd252e3e97c0f340386929133dbc9db2 [0,2,0,0,0,0|2,0,0]=4 8809 B13R0.154 CCOCCCNC(=O)CCC(=O)C 5a3565f19fec4e39bf02656d2f6d7635 [0,2,0,0,0,0|2,0,0]=4 8810 B13R0.154 CCOCCCNC(=O)CCC(C)C 0c7cdf44cbe562db76a554c63cd13169 [0,2,0,0,0,0|2,0,0]=4 8811 B13R0.154 CCOCCCNC(=O)CCC(C)O 23f575848864804f5b30f3dd75dd69cc [0,2,0,0,0,0|2,0,0]=4 8812 B13R0.154 CCOCCCNC(=O)CCC(C)S d661929b4add8ceb18524b486ec47bfd [0,2,0,0,0,0|2,0,0]=4 8813 B13R0.154 CCOCCCNC(=O)CCC(F)F 6ed60aa4838b2a6f5282f407572d6117 [0,2,0,0,0,0|2,0,0]=4 8814 B13R0.154 CCOCCCNC(=O)CCN(C)C 74a7907dd6146ec164c6ce0519dc7d34 [0,2,0,0,0,0|2,0,0]=4 8815 B13R0.154 CCOCCCNC(=O)CCS(=O)C 1cb9e0dcf6b6d70dda0f189b3541c9be [0,2,0,0,0,0|2,0,0]=4 8816 B13R0.154 CCOCCCNC(=O)CC[C@H](C)S 683945cc8279b5b3c1f691fdb47b5757 [0,2,0,0,0,0|2,0,0]=4 8817 B13R0.154 CCOCCCNC(=O)COC(C)C b43e3cdf542fad5fe821a0df4996cf6c [0,2,0,0,0,0|2,0,0]=4 8818 B13R0.154 CCOCCCNC(=O)CSC(C)C b5b116b25f7c67a223288cf2716996ca [0,2,0,0,0,0|2,0,0]=4 8819 B13R0.154 CCOCCCNC(=O)NCC(C)C dbf1e7ecfe1c581314a3aedcbdde7131 [0,2,0,0,0,0|2,0,0]=4 8820 B13R0.154 CCOCCCNC(=O)NCC(C)O 5263759894d2dcbad4b0bce7f70d40ed [0,2,0,0,0,0|2,0,0]=4 8821 B13R0.154 CCOCCCNC(=O)NC[C@@H](C)O 6cb8883147bd35883186a33e7bc7a557 [0,2,0,0,0,0|2,0,0]=4 8822 B13R0.154 CCOCCCNC(=O)NC[C@H](C)O 1b7ed6c44c39f9c7736d4a7d2e54ab21 [0,2,0,0,0,0|2,0,0]=4 8823 B13R0.154 CN(C)CCC(=O)NCCCCCCl dd9dc5533094c600ab167a459638d221 [0,2,0,0,0,0|2,0,0]=4 8824 B13R0.154 CN(C)CCC(=O)NCCCCCO 4ed5da69c5be10c438402c381ebb2042 [0,2,0,0,0,0|2,0,0]=4 8825 B13R0.154 COCCCCCC(=O)NCC(C)C b38b9a842b92aedc3278a1a43b9d1bb6 [0,2,0,0,0,0|2,0,0]=4 8826 B13R0.154 COCCCCCC(=O)NCC(C)O 5d88d06d8f33b3963b0a7055d3350729 [0,2,0,0,0,0|2,0,0]=4 8827 B13R0.154 COCCCCCC(=O)NC[C@@H](C)O 9ae09a2ea0e6375d5e692457f603baca [0,2,0,0,0,0|2,0,0]=4 8828 B13R0.154 COCCCCCC(=O)NC[C@H](C)O af564232c022a285eb41da463cfc33e4 [0,2,0,0,0,0|2,0,0]=4 8829 B13R0.154 COCCCCNC(=O)CCC(=O)C b4458c2a0224220f78537e04dd50f8e7 [0,2,0,0,0,0|2,0,0]=4 8830 B13R0.154 COCCCCNC(=O)CCC(C)C 9675d9eb9d25f468a51c950b0eafc92b [0,2,0,0,0,0|2,0,0]=4 8831 B13R0.154 COCCCCNC(=O)CCC(C)O be2dc15ae5a310fd0381a41c5fb94808 [0,2,0,0,0,0|2,0,0]=4 8832 B13R0.154 COCCCCNC(=O)CCC(C)S d24db569e17bf568eeecb0327f3ede56 [0,2,0,0,0,0|2,0,0]=4 8833 B13R0.154 COCCCCNC(=O)CCC(F)F 55b56eeb8e1ccab572e21948bf271cf6 [0,2,0,0,0,0|2,0,0]=4 8834 B13R0.154 COCCCCNC(=O)CCN(C)C c128b6d64c28cf2250b3c1f67101a251 [0,2,0,0,0,0|2,0,0]=4 8835 B13R0.154 COCCCCNC(=O)CCS(=O)C 54b6e8c5f45f745389cce903f68afbfb [0,2,0,0,0,0|2,0,0]=4 8836 B13R0.154 COCCCCNC(=O)CC[C@H](C)S 008d05971a7ddcf00667df2d8dbc40ee [0,2,0,0,0,0|2,0,0]=4 8837 B13R0.154 COCCCCNC(=O)COC(C)C 36de21ec5170fe73b535b372bb844bf6 [0,2,0,0,0,0|2,0,0]=4 8838 B13R0.154 COCCCCNC(=O)CSC(C)C c462f0d93a94d23cd763800285a894af [0,2,0,0,0,0|2,0,0]=4 8839 B13R0.154 COCCCCNC(=O)NCC(C)C 7c2a97c2609df4a06febddc3000c4aa5 [0,2,0,0,0,0|2,0,0]=4 8840 B13R0.154 COCCCCNC(=O)NCC(C)O da7700ce2ea1a8ff3a6152e33fc4542c [0,2,0,0,0,0|2,0,0]=4 8841 B13R0.154 COCCCCNC(=O)NC[C@@H](C)O 0bb46d199e39b5dbc85b7e5dbc1e5b36 [0,2,0,0,0,0|2,0,0]=4 8842 B13R0.154 COCCCCNC(=O)NC[C@H](C)O 454f02f1a6dca7e6ff9c5104e59ade10 [0,2,0,0,0,0|2,0,0]=4 8843 B13R0.154 CS(=O)CCC(=O)NCCCCCCl 862b3a451c442ad8cd89462f4fd073a9 [0,2,0,0,0,0|2,0,0]=4 8844 B13R0.154 CS(=O)CCC(=O)NCCCCCO 058331f844f7af5a81f08865c61cbf33 [0,2,0,0,0,0|2,0,0]=4 8845 B13R0.154 CSCCCCNC(=O)CCC(=O)C 3349b4299bf6c38ade7d555d220508b8 [0,2,0,0,0,0|2,0,0]=4 8846 B13R0.154 CSCCCCNC(=O)CCC(C)C 6dcede11d4429adf403be0843e040d98 [0,2,0,0,0,0|2,0,0]=4 8847 B13R0.154 CSCCCCNC(=O)CCC(C)O 8e1ae62bc9dad8bed558ec8eac25edd9 [0,2,0,0,0,0|2,0,0]=4 8848 B13R0.154 CSCCCCNC(=O)CCC(C)S ab7064cd318fda79146a59d4adedd454 [0,2,0,0,0,0|2,0,0]=4 8849 B13R0.154 CSCCCCNC(=O)CCC(F)F fcffac2c6460885c8319e744cd95b884 [0,2,0,0,0,0|2,0,0]=4 8850 B13R0.154 CSCCCCNC(=O)CCN(C)C 7ea4cac1ffc36d76e809639f20ef21c0 [0,2,0,0,0,0|2,0,0]=4 8851 B13R0.154 CSCCCCNC(=O)CCS(=O)C a57c9fa30a4f32c90858af7e67e84f72 [0,2,0,0,0,0|2,0,0]=4 8852 B13R0.154 CSCCCCNC(=O)CC[C@H](C)S 9b6a22dcb07296c960d06410bd409b31 [0,2,0,0,0,0|2,0,0]=4 8853 B13R0.154 CSCCCCNC(=O)COC(C)C 562cecf358b5786e7888f7eda067125e [0,2,0,0,0,0|2,0,0]=4 8854 B13R0.154 CSCCCCNC(=O)CSC(C)C 747e099e54386412065991661e884da7 [0,2,0,0,0,0|2,0,0]=4 8855 B13R0.154 CSCCCCNC(=O)NCC(C)C 5def4d7e30000e0ac5519381f8c30d33 [0,2,0,0,0,0|2,0,0]=4 8856 B13R0.154 CSCCCCNC(=O)NCC(C)O c66c7157dc59afd9466e95a2493f829d [0,2,0,0,0,0|2,0,0]=4 8857 B13R0.154 CSCCCCNC(=O)NC[C@@H](C)O ee0fb7bd277c0ca3fce192e35df97221 [0,2,0,0,0,0|2,0,0]=4 8858 B13R0.154 CSCCCCNC(=O)NC[C@H](C)O b2c958389e7a94f3675031f8fc8ad626 [0,2,0,0,0,0|2,0,0]=4 8859 B13R0.154 C[C@@H](O)CNC(=O)CCCCCCF 120158d80e470023f8bf84146a1b8e97 [0,2,0,0,0,0|2,0,0]=4 8860 B13R0.154 C[C@@H](O)CNC(=O)CCCCCCO 544da1a7ba0a5dc566ff3e26a7144d76 [0,2,0,0,0,0|2,0,0]=4 8861 B13R0.154 C[C@@H](O)CNC(=O)CCCCCCS 24218bcba3c65d03dc7885e0e7cd756a [0,2,0,0,0,0|2,0,0]=4 8862 B13R0.154 C[C@@H](O)CNC(=O)NCCCCCN 7b0e17da981d1ce1802bfad8369f2fcb [0,2,0,0,0,0|2,0,0]=4 8863 B13R0.154 C[C@@H](O)CNC(=O)NCCCCCO 51cfe53bd785ea7ade946cb820e461d0 [0,2,0,0,0,0|2,0,0]=4 8864 B13R0.154 C[C@H](O)CNC(=O)CCCCCCF 237af86108659415baab90b77000365f [0,2,0,0,0,0|2,0,0]=4 8865 B13R0.154 C[C@H](O)CNC(=O)CCCCCCO da077430f9d81d5d11e4bdc2a590ee12 [0,2,0,0,0,0|2,0,0]=4 8866 B13R0.154 C[C@H](O)CNC(=O)CCCCCCS abd1472709e348093bc93a0cd0c1c167 [0,2,0,0,0,0|2,0,0]=4 8867 B13R0.154 C[C@H](O)CNC(=O)NCCCCCN 9d9ab8bbe9547d9b09e5d7cf84989eb0 [0,2,0,0,0,0|2,0,0]=4 8868 B13R0.154 C[C@H](O)CNC(=O)NCCCCCO de57a22c092743c65ec68e66839c5686 [0,2,0,0,0,0|2,0,0]=4 8869 B13R0.154 C[C@H](S)CCC(=O)NCCCCCCl 651f91500b2696490fd00bbf7a34d376 [0,2,0,0,0,0|2,0,0]=4 8870 B13R0.154 C[C@H](S)CCC(=O)NCCCCCO ffe6a1730ca71c7c58ce1bf7ca099a08 [0,2,0,0,0,0|2,0,0]=4 8871 B13R0.154 O=C(CCC(F)F)NCCCCCCl d7bdbd27d6fa6e05104ed23fae1eeda5 [0,2,0,0,0,0|2,0,0]=4 8872 B13R0.154 O=C(CCC(F)F)NCCCCCO 88227f407f1de9f5e3b1f926899d2c7f [0,2,0,0,0,0|2,0,0]=4 8873 B13R0.195 C#CCCC(=O)NC(C)CCCCC de502f0001e5898665c42bb58c4d8230 [0,2,0,0,0,0|1,0,1]=4 8874 B13R0.195 C#CCCC(=O)N[C@@H](C)CCCCC 88496692ac0e4f0ffbb531e049aca851 [0,2,0,0,0,0|1,0,1]=4 8875 B13R0.195 C/C=C/CC(=O)NC(C)CCCCC 6a11e0366d0c198ff5492c2fccd2ef4f [0,2,0,0,0,0|1,0,1]=4 8876 B13R0.195 C/C=C/CC(=O)N[C@@H](C)CCCCC 7ec448917ea423b44bae6bd7d4c441f6 [0,2,0,0,0,0|1,0,1]=4 8877 B13R0.195 C=CCCC(=O)NC(C)CCCCC ae60520b48eb7430db5f58160e8fa93d [0,2,0,0,0,0|1,0,1]=4 8878 B13R0.195 C=CCCC(=O)N[C@@H](C)CCCCC c3e1bd64a52c2a6b8f53ae2b7471d73d [0,2,0,0,0,0|1,0,1]=4 8879 B13R0.195 CC#CCC(=O)NC(C)CCCCC 5896aec5167f2717c57861388aa64337 [0,2,0,0,0,0|1,0,1]=4 8880 B13R0.195 CC#CCC(=O)N[C@@H](C)CCCCC 8a2800350fdd974dc4397c87aa82ea3c [0,2,0,0,0,0|1,0,1]=4 8881 B13R0.195 CC/C=C/C(=O)NC(C)CCCCC 02eb4ed66edda421befed4045b38a1b6 [0,2,0,0,0,0|1,0,1]=4 8882 B13R0.195 CC/C=C/C(=O)N[C@@H](C)CCCCC 38a8231d1a10fec227300f754c8d2f83 [0,2,0,0,0,0|1,0,1]=4 8883 B13R0.195 CC/C=C\C(=O)NC(C)CCCCC 6ca6746386d9dfd52ce452d1aa4dc511 [0,2,0,0,0,0|1,0,1]=4 8884 B13R0.195 CC/C=C\C(=O)N[C@@H](C)CCCCC c7dbdd2d62c1b2ed40c21632d8b27966 [0,2,0,0,0,0|1,0,1]=4 8885 B13R0.195 CCC#CC(=O)NC(C)CCCCC e7c8471a5ad70b67efc093d3bb492a47 [0,2,0,0,0,0|1,0,1]=4 8886 B13R0.195 CCC#CC(=O)N[C@@H](C)CCCCC 88d4a6216f768f64adc0da390bb90b74 [0,2,0,0,0,0|1,0,1]=4 8887 B13R0.195 CCC=CC(=O)NC(C)CCCCC a5372d75a8375ac3451c418af5850b57 [0,2,0,0,0,0|1,0,1]=4 8888 B13R0.195 CCC=CC(=O)N[C@@H](C)CCCCC 69ac234285faf092b4a5739aa53dce1e [0,2,0,0,0,0|1,0,1]=4 8889 B13R0.195 CCCCCC(C)NC(=O)CCC#N 6b106a63f5bbbb913197537228ac7858 [0,2,0,0,0,0|1,0,1]=4 8890 B13R0.195 CCCCCC(C)NC(=O)CCC=O e1a7ede6dc09f248a9e522928fc63b7d [0,2,0,0,0,0|1,0,1]=4 8891 B13R0.195 CCCCCC(C)NC(=O)CCCC f038515c42e43f4329928e13d9a6a732 [0,2,0,0,0,0|1,0,0]=3 8892 B13R0.195 CCCCCC(C)NC(=O)CCCF 8ab09b00070ae20a73ffa6422d985276 [0,2,0,0,0,0|1,0,0]=3 8893 B13R0.195 CCCCCC(C)NC(=O)CCCS 8a45dda294d2e52a53fd896c749a3610 [0,2,0,0,0,0|1,0,0]=3 8894 B13R0.195 CCCCCC(C)NC(=O)CCOC 03211bb5d7b0564e80930c82f22e61ee [0,2,0,0,0,0|1,0,0]=3 8895 B13R0.195 CCCCCC(C)NC(=O)CCSC 44c69ff513de285f28c064614921bb83 [0,2,0,0,0,0|1,0,0]=3 8896 B13R0.195 CCCCCC(C)NC(=O)COCC 00e5b7241eaeb8a6ec07211fe9defcba [0,2,0,0,0,0|1,0,0]=3 8897 B13R0.195 CCCCCC(C)NC(=O)CSCC ed5b3a03714d5975cdf9f7e742a7062a [0,2,0,0,0,0|1,0,0]=3 8898 B13R0.195 CCCCCC(C)NC(=O)CSSC 982381d69b23b2bb6fc6bcc18d65d1ac [0,2,0,0,0,0|2,0,0]=4 8899 B13R0.195 CCCCCC(C)NC(=O)NCCC ea012fece85a45413aa96b8790989fa4 [0,2,0,0,0,0|1,0,0]=3 8900 B13R0.195 CCCCCC(C)NC(=O)NCCF 62557cd2734ec641ab0a71c2e05a7376 [0,2,0,0,0,0|2,0,0]=4 8901 B13R0.195 CCCCCC(C)NC(=O)NCCN 29838115177fdd2ac8eba09b3eaab402 [0,2,0,0,0,0|2,0,0]=4 8902 B13R0.195 CCCCCC(C)NC(=O)NCCO e387fc3011194215a3e914c6bb4cd6a4 [0,2,0,0,0,0|2,0,0]=4 8903 B13R0.195 CCCCCC(C)NC(=O)NCCS 0719b2ebf681e42bdfaa1d81d3f70d96 [0,2,0,0,0,0|2,0,0]=4 8904 B13R0.195 CCCCCC(C)NC(=S)NCCC 95acfb60fbb8e4a1963276d1999fc06c [0,2,0,0,0,0|1,1,0]=4 8905 B13R0.195 CCCCCC(C)OC(=O)CNC#N 59eb7ac27c8a503d22b052f96c9143db [0,2,0,0,0,0|1,0,1]=4 8906 B13R0.195 CCCCCC(C)OC(C)CCCC 835bb41eebfe841cb1dbba0660faff90 [0,2,0,0,0,0|1,0,1]=4 8907 B13R0.195 CCCCCC(C)OC(C)CCOC 6e1a3024aabe6d4f95a2a90c951a3870 [0,2,0,0,0,0|1,0,1]=4 8908 B13R0.195 CCCCCC(C)OC(C)COCC 1ee4bd6fe9f32ec6c49040f44d3fbc70 [0,2,0,0,0,0|1,0,1]=4 8909 B13R0.195 CCCCCC(C)O[C@@H](C)CCCC dc173a88aaf3b49f7ba63e77d10acb95 [0,2,0,0,0,0|1,0,1]=4 8910 B13R0.195 CCCCCC(C)O[C@H](C)CCCC a9a5b0162599b158268a1c34e0157177 [0,2,0,0,0,0|1,0,1]=4 8911 B13R0.195 CCCCCC(O)CC(=O)NCCBr e45c859d6e1ef59e2f9388143fcd8a9d [0,2,0,0,0,0|2,0,0]=4 8912 B13R0.195 CCCCCC(O)CC(=O)NCCC 213148f78af8115b565834a73e538dfb [0,2,0,0,0,0|1,0,0]=3 8913 B13R0.195 CCCCCC(O)CC(=O)NCCF 55c57b3507adcefb2ed668631937a67a [0,2,0,0,0,0|2,0,0]=4 8914 B13R0.195 CCCCCC(O)CC(=O)NCCI 0ec2d06b10c9f2980f3a3dfa2873fb55 [0,2,0,0,0,0|2,0,0]=4 8915 B13R0.195 CCCCCC(O)CC(=O)NCCO 84f7da01b92117a7f38c520ea2cfe754 [0,2,0,0,0,0|2,0,0]=4 8916 B13R0.195 CCCCCC(O)CC(=O)NCCS 61ea2ebec11b06a624df33d797546615 [0,2,0,0,0,0|2,0,0]=4 8917 B13R0.195 CCCCCN(C)CC(=O)CCSC 03e9bb2c2b4a44d500a234a6fd8ef547 [0,2,0,0,0,0|2,0,0]=4 8918 B13R0.195 CCCCCN(C)CC(=O)NCCC 02192d445c060e7cd2683b78093b5c84 [0,2,0,0,0,0|2,0,0]=4 8919 B13R0.195 CCCCCN(C)CC(=O)OCCC 90e1adaa64e24d62094270400c5b1f3a [0,2,0,0,0,0|2,0,0]=4 8920 B13R0.195 CCCCC[C@@H](C)OC(C)CCCC 432e4646fd2a9a6d1fcfdb63b09a568e [0,2,0,0,0,0|1,0,1]=4 8921 B13R0.195 CCCCC[C@@H](O)CC(=O)NCCBr a5d2ee3555c0999624c0cb51209295ef [0,2,0,0,0,0|2,0,0]=4 8922 B13R0.195 CCCCC[C@@H](O)CC(=O)NCCC 1c86f9b303f52d4c34323502e60227c8 [0,2,0,0,0,0|1,0,0]=3 8923 B13R0.195 CCCCC[C@@H](O)CC(=O)NCCF 23d4e7d5d517c3155c58a4cc99556d80 [0,2,0,0,0,0|2,0,0]=4 8924 B13R0.195 CCCCC[C@@H](O)CC(=O)NCCI c8878d68d24d5a6d7a665866fc1d804a [0,2,0,0,0,0|2,0,0]=4 8925 B13R0.195 CCCCC[C@@H](O)CC(=O)NCCO 42bdf7313af6a29fe55b62a30eb45427 [0,2,0,0,0,0|2,0,0]=4 8926 B13R0.195 CCCCC[C@@H](O)CC(=O)NCCS 55a82c4d190a6a8ef3d2e22b27bdce66 [0,2,0,0,0,0|2,0,0]=4 8927 B13R0.195 CCCCC[C@H](C)NC(=O)CCC#N c69aa276c6d394b3a9a156eeec5a2df7 [0,2,0,0,0,0|1,0,1]=4 8928 B13R0.195 CCCCC[C@H](C)NC(=O)CCC=O a3ed9bc6d03da902722e8044da430990 [0,2,0,0,0,0|1,0,1]=4 8929 B13R0.195 CCCCC[C@H](C)NC(=O)CCCC d8bd7cd44de2c5c3870e5b55de48793c [0,2,0,0,0,0|1,0,0]=3 8930 B13R0.195 CCCCC[C@H](C)NC(=O)CCCF 8e0f17dbc310eff77cd8b0543c3d251d [0,2,0,0,0,0|1,0,0]=3 8931 B13R0.195 CCCCC[C@H](C)NC(=O)CCCS bd6e9b63e8559d872c6f2c7aea19ae01 [0,2,0,0,0,0|1,0,0]=3 8932 B13R0.195 CCCCC[C@H](C)NC(=O)CCOC f1e9f9d7a91437e9812a1623da0b8e16 [0,2,0,0,0,0|1,0,0]=3 8933 B13R0.195 CCCCC[C@H](C)NC(=O)CCSC 1d85015b5792d42b1478d8cc903a24c2 [0,2,0,0,0,0|1,0,0]=3 8934 B13R0.195 CCCCC[C@H](C)NC(=O)COCC 7008277b20122a6615cf2f5e543ccd12 [0,2,0,0,0,0|1,0,0]=3 8935 B13R0.195 CCCCC[C@H](C)NC(=O)CSCC bc851343fa97f190e495f143819f4483 [0,2,0,0,0,0|1,0,0]=3 8936 B13R0.195 CCCCC[C@H](C)NC(=O)CSSC d142d49bc8530647f4ee43158c3a3c02 [0,2,0,0,0,0|2,0,0]=4 8937 B13R0.195 CCCCC[C@H](C)NC(=O)NCCC b74362d7809239c91c58f68d377523e5 [0,2,0,0,0,0|1,0,0]=3 8938 B13R0.195 CCCCC[C@H](C)NC(=O)NCCF e5f9d4c485cc64d44c8621f2b2e0b8af [0,2,0,0,0,0|2,0,0]=4 8939 B13R0.195 CCCCC[C@H](C)NC(=O)NCCN 93536bade28d18c96da67120d8192d7f [0,2,0,0,0,0|2,0,0]=4 8940 B13R0.195 CCCCC[C@H](C)NC(=O)NCCO 6dbdef53d490d8524267da6ac855ed0b [0,2,0,0,0,0|2,0,0]=4 8941 B13R0.195 CCCCC[C@H](C)NC(=O)NCCS 5ad917a5d7733d7e3de8ac78d3e01646 [0,2,0,0,0,0|2,0,0]=4 8942 B13R0.195 CCCCC[C@H](C)NC(=S)NCCC 98d577711febb419cf8938067e0e5247 [0,2,0,0,0,0|1,1,0]=4 8943 B13R0.195 CCCCC[C@H](C)OC(C)CCCC 216a7572876f989a2bd08cdd60bc8cc8 [0,2,0,0,0,0|1,0,1]=4 8944 B13R0.195 CCCCC[C@H](C)OC(C)CCOC bc6d539e785efbc7682baecb95a21159 [0,2,0,0,0,0|1,0,1]=4 8945 B13R0.195 CCCCC[C@H](C)OC(C)COCC 331b8fead782863afd1a78f3b44f3adb [0,2,0,0,0,0|1,0,1]=4 8946 B13R0.195 CCCCC[C@H](C)O[C@@H](C)CCCC 595d123e6474343ad50c58ad1cf12f1e [0,2,0,0,0,0|1,0,1]=4 8947 B13R0.195 CCCCC[C@H](C)O[C@H](C)CCCC 520c74c2581fc577ea8d4d2f694366bd [0,2,0,0,0,0|1,0,1]=4 8948 B13R0.195 CCCCC[C@H](O)CC(=O)NCCBr c9c98ec44d3861d897a34afd333f1c06 [0,2,0,0,0,0|2,0,0]=4 8949 B13R0.195 CCCCC[C@H](O)CC(=O)NCCC 5664746e7931221754d0ed345d0178b0 [0,2,0,0,0,0|1,0,0]=3 8950 B13R0.195 CCCCC[C@H](O)CC(=O)NCCF bf2800868389e5f5c07963a073538108 [0,2,0,0,0,0|2,0,0]=4 8951 B13R0.195 CCCCC[C@H](O)CC(=O)NCCI 4e02b05fd800522279f79712737accae [0,2,0,0,0,0|2,0,0]=4 8952 B13R0.195 CCCCC[C@H](O)CC(=O)NCCO 4dbef22a8d97c3f24ff9c4dd8c830b0c [0,2,0,0,0,0|2,0,0]=4 8953 B13R0.195 CCCCC[C@H](O)CC(=O)NCCS 929be430fb06578b50e9a76116f72395 [0,2,0,0,0,0|2,0,0]=4 8954 B13R0.338 C#CCCCC(=O)NCCCCCC 9fe467c97bdc3f47702dbb4123a26658 [0,2,0,0,0,0|1,0,0]=3 8955 B13R0.338 C#CCCCC(=O)NCCCCCCl d5dae525fedfa542c147394f3ff2fc50 [0,2,0,0,0,0|2,0,0]=4 8956 B13R0.338 C#CCCCC(=O)NCCCCCO 26dd49e755ab2b010c56be62ba7f3b2b [0,2,0,0,0,0|2,0,0]=4 8957 B13R0.338 C#CCCCC(=O)NCCCCOC cb362a630bcd670ac1ca320821a92982 [0,2,0,0,0,0|2,0,0]=4 8958 B13R0.338 C#CCCCC(=O)NCCCCSC 29d0f323bb95e6b757032a933f93f058 [0,2,0,0,0,0|2,0,0]=4 8959 B13R0.338 C#CCCCC(=O)NCCCOCC a0024c9a2fe9dbac132281e91bf86ab6 [0,2,0,0,0,0|2,0,0]=4 8960 B13R0.338 C#CCCCC(=O)NCCOCCC 3d6aaeed01586ec29d83ac0208151d0a [0,2,0,0,0,0|2,0,0]=4 8961 B13R0.338 C#CCCNC(=O)CCCCCCC d800416eae65b88c838f16f14605b399 [0,2,0,0,0,0|1,0,1]=4 8962 B13R0.338 C#CCCNC(=O)NCCCCCC a38770de32597c741bf98c0aef579731 [0,2,0,0,0,0|1,0,1]=4 8963 B13R0.338 C#CCNCC(=O)NCCCCCC cf68df4f3e4ce6574f55926f776aae58 [0,2,0,0,0,0|1,0,1]=4 8964 B13R0.338 C#CCOCC(=O)NCCCCCC d28915c2784aa180ef7a941f72877ded [0,2,0,0,0,0|1,0,1]=4 8965 B13R0.338 C=CCCCC(=O)NCCCCCC 510c7015a4ddfb04431b8dab38314dfc [0,2,0,0,0,0|1,0,0]=3 8966 B13R0.338 C=CCCCC(=O)NCCCCCCl 475d98012ac74977d0b52f7f4fabf438 [0,2,0,0,0,0|2,0,0]=4 8967 B13R0.338 C=CCCCC(=O)NCCCCCO f3dd562d752549a5ac18f31131b24dcf [0,2,0,0,0,0|2,0,0]=4 8968 B13R0.338 C=CCCCC(=O)NCCCCOC 7c79981e6057b2ff3bcda2b3024e9673 [0,2,0,0,0,0|2,0,0]=4 8969 B13R0.338 C=CCCCC(=O)NCCCCSC 4a4b0fdfa8e69d826300f15530c3fd9d [0,2,0,0,0,0|2,0,0]=4 8970 B13R0.338 C=CCCCC(=O)NCCCOCC 065ba25fd27d28187b40cfcff601ec89 [0,2,0,0,0,0|2,0,0]=4 8971 B13R0.338 C=CCCCC(=O)NCCOCCC 30b030209d8c7e9e1c235346502a2439 [0,2,0,0,0,0|2,0,0]=4 8972 B13R0.338 C=CCCC[C@H](C)OCCCCCC 86c21220de9dd649025f9137f8805a36 [0,2,0,0,0,0|1,0,1]=4 8973 B13R0.338 C=CCCNC(=O)CCCCCCC ba7f52932b72e2271ab17ca72a1a3e3b [0,2,0,0,0,0|1,0,1]=4 8974 B13R0.338 C=CCCNC(=O)NCCCCCC a5141d30b799b3c775e411b59946e477 [0,2,0,0,0,0|1,0,1]=4 8975 B13R0.338 C=CCOCC(=O)NCCCCCC 58c1270e7a30ffe446bd5835b834f67d [0,2,0,0,0,0|1,0,1]=4 8976 B13R0.338 C=CCSCC(=O)NCCCCCC 2a240d5daac7832b4934dc07c9ec0509 [0,2,0,0,0,0|1,0,1]=4 8977 B13R0.338 CC#CCCC(=O)NCCCCCC 8f1b4b03bab7eceee1cb4206c111e4a6 [0,2,0,0,0,0|1,0,0]=3 8978 B13R0.338 CC#CCCC(=O)NCCCCCCl 67c43428c9e28070f8783b133eaed7c7 [0,2,0,0,0,0|2,0,0]=4 8979 B13R0.338 CC#CCCC(=O)NCCCCCO ead9a39eb2e206e8a207450f349f7194 [0,2,0,0,0,0|2,0,0]=4 8980 B13R0.338 CC#CCCC(=O)NCCCCOC 4a381581f39900fbd250d20fe345a8f6 [0,2,0,0,0,0|2,0,0]=4 8981 B13R0.338 CC#CCCC(=O)NCCCCSC b2b6c91793bdae0a2490e3f5f1018f9f [0,2,0,0,0,0|2,0,0]=4 8982 B13R0.338 CC#CCCC(=O)NCCCOCC b602bf984b30e6f22c95e694aafb7c5f [0,2,0,0,0,0|2,0,0]=4 8983 B13R0.338 CC#CCCC(=O)NCCOCCC 21f30035c129306ec960028384b5f2fd [0,2,0,0,0,0|2,0,0]=4 8984 B13R0.338 CC#CCNC(=O)CCCCCCC beddf8eb255521a3964579273ec6dad7 [0,2,0,0,0,0|1,0,1]=4 8985 B13R0.338 CC/C=C/CC(=O)NCCCCCC d1276c8b39405c35a12244f8358c8934 [0,2,0,0,0,0|1,0,0]=3 8986 B13R0.338 CC/C=C/CC(=O)NCCCCCCl 57d3d01eea40bed65ce844d5b0a5e88f [0,2,0,0,0,0|2,0,0]=4 8987 B13R0.338 CC/C=C/CC(=O)NCCCCCO 4941a24b4e0d665e750f376a53979791 [0,2,0,0,0,0|2,0,0]=4 8988 B13R0.338 CC/C=C/CC(=O)NCCCCOC 5e223949bb2b888787b772ec97996161 [0,2,0,0,0,0|2,0,0]=4 8989 B13R0.338 CC/C=C/CC(=O)NCCCCSC e5da23b122c8cf145bb361a6cb312a33 [0,2,0,0,0,0|2,0,0]=4 8990 B13R0.338 CC/C=C/CC(=O)NCCCOCC 6d134fb66952e064533117e4e9a6e226 [0,2,0,0,0,0|2,0,0]=4 8991 B13R0.338 CC/C=C/CC(=O)NCCOCCC 9815d7d7cda1e99bece12e53d45ecd33 [0,2,0,0,0,0|2,0,0]=4 8992 B13R0.338 CC/C=C\CC(=O)NCCCCCC c197ff76f41a350c12f7945cfe5b8779 [0,2,0,0,0,0|1,0,0]=3 8993 B13R0.338 CC/C=C\CC(=O)NCCCCCCl 49562dbb5496cfbe1b6971f4ab0ef959 [0,2,0,0,0,0|2,0,0]=4 8994 B13R0.338 CC/C=C\CC(=O)NCCCCCO 6f8df032e31ebd590c304c06b4214905 [0,2,0,0,0,0|2,0,0]=4 8995 B13R0.338 CC/C=C\CC(=O)NCCCCOC 1c6b3f81f53d23317d9e431ffe91475b [0,2,0,0,0,0|2,0,0]=4 8996 B13R0.338 CC/C=C\CC(=O)NCCCCSC d43d4aee6dca869702cf2e2738b7e544 [0,2,0,0,0,0|2,0,0]=4 8997 B13R0.338 CC/C=C\CC(=O)NCCCOCC 895b207d198e6494be3523ac82c26c29 [0,2,0,0,0,0|2,0,0]=4 8998 B13R0.338 CC/C=C\CC(=O)NCCOCCC ddce32f13c0387f8b23c2dc1cb9c6a4d [0,2,0,0,0,0|2,0,0]=4 8999 B13R0.338 CC=CCCC(=O)NCCCCCC 400630f7df76b799b44e37d8c66d3c4d [0,2,0,0,0,0|1,0,0]=3 9000 B13R0.338 CC=CCCC(=O)NCCCCCCl d8c0e1515d13c2cb6e478b61534ffaf8 [0,2,0,0,0,0|2,0,0]=4 9001 B13R0.338 CC=CCCC(=O)NCCCCCO 6646b0f1126acc060bffd26ca5383acf [0,2,0,0,0,0|2,0,0]=4 9002 B13R0.338 CC=CCCC(=O)NCCCCOC a3705922215c9e662e19657b5b2dc4f7 [0,2,0,0,0,0|2,0,0]=4 9003 B13R0.338 CC=CCCC(=O)NCCCCSC 1756c6689c55c58cfd296e49ca90e6c8 [0,2,0,0,0,0|2,0,0]=4 9004 B13R0.338 CC=CCCC(=O)NCCCOCC 29fd4671fcb58d56e1c5c4a9c5d4671d [0,2,0,0,0,0|2,0,0]=4 9005 B13R0.338 CC=CCCC(=O)NCCOCCC 68aa926cc869c939aa38b65f0b461a1d [0,2,0,0,0,0|2,0,0]=4 9006 B13R0.338 CC=CCNC(=O)CCCCCCC 4bdfd27cb5ddb9dc928dc7b478c225e8 [0,2,0,0,0,0|1,0,1]=4 9007 B13R0.338 CC=CCNC(=O)NCCCCCC c266903f5af57ce1f4b9323acace2867 [0,2,0,0,0,0|1,0,1]=4 9008 B13R0.338 CCC#CCC(C)OCCCCCC e5dcb3dbed69d5add6ea8b27e3b659a4 [0,2,0,0,0,0|1,0,1]=4 9009 B13R0.338 CCC/C=C/C(=O)NCCCCCC a49ee565c61ccf9d003fbe3a9b1e4f9f [0,2,0,0,0,0|1,0,0]=3 9010 B13R0.338 CCC/C=C/C(=O)NCCCCCCl c9452070e1fc911b5bf3dbfbb415b33b [0,2,0,0,0,0|2,0,0]=4 9011 B13R0.338 CCC/C=C/C(=O)NCCCCCO ffaf43d4780b82f6dbac695857f55a53 [0,2,0,0,0,0|2,0,0]=4 9012 B13R0.338 CCC/C=C/C(=O)NCCCCOC d244a21f02725f2d4169bb19852c907d [0,2,0,0,0,0|2,0,0]=4 9013 B13R0.338 CCC/C=C/C(=O)NCCCCSC 034f9d7297d36114d519374ac90b35e5 [0,2,0,0,0,0|2,0,0]=4 9014 B13R0.338 CCC/C=C/C(=O)NCCCOCC 7cb9c76b99b2a688fa9f2e34b9c87011 [0,2,0,0,0,0|2,0,0]=4 9015 B13R0.338 CCC/C=C/C(=O)NCCOCCC d559f5f57d4d91764e08919141c62c63 [0,2,0,0,0,0|2,0,0]=4 9016 B13R0.338 CCC=CCC(=O)NCCCCCC 31a8ccabe5360fb7690923e47dd42cc6 [0,2,0,0,0,0|1,0,0]=3 9017 B13R0.338 CCC=CCC(=O)NCCCCCCl b59126598a845524a9e8f388f9b10527 [0,2,0,0,0,0|2,0,0]=4 9018 B13R0.338 CCC=CCC(=O)NCCCCCO 185ead4dcc04cdf48fac4b01458f8bd3 [0,2,0,0,0,0|2,0,0]=4 9019 B13R0.338 CCC=CCC(=O)NCCCCOC 034886f99448733d2284f95c7e361cda [0,2,0,0,0,0|2,0,0]=4 9020 B13R0.338 CCC=CCC(=O)NCCCCSC c2a1adee734588a89d14ba360f4d483c [0,2,0,0,0,0|2,0,0]=4 9021 B13R0.338 CCC=CCC(=O)NCCCOCC 5ebd36fea7c3407e7eaa0dfbeda8ca99 [0,2,0,0,0,0|2,0,0]=4 9022 B13R0.338 CCC=CCC(=O)NCCOCCC b2c6299e42064d042e01b01139a9d31e [0,2,0,0,0,0|2,0,0]=4 9023 B13R0.338 CCCC#CC(=O)NCCCCCC 2e0494c42de1296c2c279d7ff6e22560 [0,2,0,0,0,0|1,0,0]=3 9024 B13R0.338 CCCC#CC(=O)NCCCCCCl 436f3a30f2fd23602f0a438743e5e2ba [0,2,0,0,0,0|2,0,0]=4 9025 B13R0.338 CCCC#CC(=O)NCCCCCO bad718332bbdfe55b241db09a5fdd5fd [0,2,0,0,0,0|2,0,0]=4 9026 B13R0.338 CCCC#CC(=O)NCCCCOC e4d324f636bf6b8cf0ae8a904717c94f [0,2,0,0,0,0|2,0,0]=4 9027 B13R0.338 CCCC#CC(=O)NCCCCSC a3c54971b8313e124b168cc8333fd20e [0,2,0,0,0,0|2,0,0]=4 9028 B13R0.338 CCCC#CC(=O)NCCCOCC bd4ada51755b1165fc8bd887b9ef21e2 [0,2,0,0,0,0|2,0,0]=4 9029 B13R0.338 CCCC#CC(=O)NCCOCCC a7fad3802383e70f228f3b6aa47b15f5 [0,2,0,0,0,0|2,0,0]=4 9030 B13R0.338 CCCC=CC(=O)NCCCCCC 2d4ac97afac13508ee969b7966dc36b7 [0,2,0,0,0,0|1,0,0]=3 9031 B13R0.338 CCCC=CC(=O)NCCCCCCl 94374b3f5e00ecc06df1086d70dd8726 [0,2,0,0,0,0|2,0,0]=4 9032 B13R0.338 CCCC=CC(=O)NCCCCCO 8ff61e147a25fca36a26be12dda55d13 [0,2,0,0,0,0|2,0,0]=4 9033 B13R0.338 CCCC=CC(=O)NCCCCOC 484035c9a74f7d459f4f1b09935b7708 [0,2,0,0,0,0|2,0,0]=4 9034 B13R0.338 CCCC=CC(=O)NCCCCSC b16926f9e153706ed93d876c56c62dfa [0,2,0,0,0,0|2,0,0]=4 9035 B13R0.338 CCCC=CC(=O)NCCCOCC a253cef43ac999e481b999c9b39da6a0 [0,2,0,0,0,0|2,0,0]=4 9036 B13R0.338 CCCC=CC(=O)NCCOCCC 11f9ae3d088178fdd30cad3124031055 [0,2,0,0,0,0|2,0,0]=4 9037 B13R0.338 CCCCC/C=C/C(=O)NCCCC 8a20509c995b380aec4b6fbb309f81fb [0,2,0,0,0,0|1,0,1]=4 9038 B13R0.338 CCCCC/C=C/C(=O)NCCCCl 9fb9b228c869c600cc320091b21c7cad [0,2,0,0,0,0|1,0,1]=4 9039 B13R0.338 CCCCC/C=C/C(=O)NCCCO 929402298f7edb5f7385b47d12af2907 [0,2,0,0,0,0|1,0,1]=4 9040 B13R0.338 CCCCC/C=C/C(=O)NCCOC 273e738025e9028bfe76c931803a2730 [0,2,0,0,0,0|1,0,1]=4 9041 B13R0.338 CCCCC/C=C/C(=O)NCCSC 858135bc311264d6e154aa4edbf834a0 [0,2,0,0,0,0|1,0,1]=4 9042 B13R0.338 CCCCCC#CC(=O)NCCCC 894cf57147bfa939daaeb20c69bc5089 [0,2,0,0,0,0|1,0,1]=4 9043 B13R0.338 CCCCCC#CC(=O)NCCCCl 2af74c7cd24e5d2485b45bb8fb43f13c [0,2,0,0,0,0|1,0,1]=4 9044 B13R0.338 CCCCCC#CC(=O)NCCCO 5975adeff85e30e55ac2490e771f6ed1 [0,2,0,0,0,0|1,0,1]=4 9045 B13R0.338 CCCCCC#CC(=O)NCCOC 20e933d5ff1d9fd07bc918891a489085 [0,2,0,0,0,0|1,0,1]=4 9046 B13R0.338 CCCCCC#CC(=O)NCCSC d595a476913ec40e0a431bfb050d3720 [0,2,0,0,0,0|1,0,1]=4 9047 B13R0.338 CCCCCC(=O)NCCCCCCl 100381af8d7115d1058fe8941e3347b8 [0,2,0,0,0,0|2,0,0]=4 9048 B13R0.338 CCCCCC(=O)NCCCCCO 2ac3bc73eecd7b15220bd97623575dd5 [0,2,0,0,0,0|2,0,0]=4 9049 B13R0.338 CCCCCC(=O)NCCCCOC cb2dd4a16a7a44064425c0a2cab486b7 [0,2,0,0,0,0|2,0,0]=4 9050 B13R0.338 CCCCCC(=O)NCCCCSC 82e8a8c79f31281dee67e2e100ac5b1e [0,2,0,0,0,0|2,0,0]=4 9051 B13R0.338 CCCCCC(=O)NCCCOCC f83be71da758af670df0d92c901f40a5 [0,2,0,0,0,0|2,0,0]=4 9052 B13R0.338 CCCCCC(=O)NCCOCCC ff91a97b0fb0710b5e99d0d5dde99b25 [0,2,0,0,0,0|2,0,0]=4 9053 B13R0.338 CCCCCC(=O)OCNCCCC 01a15f07e9f5b2a28de48b53b2fb369c [0,2,0,0,0,0|1,0,0]=3 9054 B13R0.338 CCCCCC(=O)OCNCCCCl ac239f7a9fab4150debbfdba1fda9e39 [0,2,0,0,0,0|2,0,0]=4 9055 B13R0.338 CCCCCC(=O)OCNCCCO 1050c4492bfa1e7e2a6b9f578ce00bce [0,2,0,0,0,0|2,0,0]=4 9056 B13R0.338 CCCCCC(=O)OCNCCOC cd8888f3800ab7302a2b5be2eae66096 [0,2,0,0,0,0|2,0,0]=4 9057 B13R0.338 CCCCCC(=O)OCNCCSC 7c73bbabb7e1c832c8a247d3598ad8e1 [0,2,0,0,0,0|2,0,0]=4 9058 B13R0.338 CCCCCC(=O)OCOCCCC 1edc14327cfa0c460ca900180909fe7c [0,2,0,0,0,0|1,0,0]=3 9059 B13R0.338 CCCCCC(=O)OCOCCCF bb61b3e7d897b45277eaf77dfb24eddc [0,2,0,0,0,0|2,0,0]=4 9060 B13R0.338 CCCCCC(=O)OCOCCCS 6977661674987e714c9f7efb083bea10 [0,2,0,0,0,0|2,0,0]=4 9061 B13R0.338 CCCCCC(=O)OCOCCOC 7cb6c8134170b58cddc45aab64d2fd98 [0,2,0,0,0,0|2,0,0]=4 9062 B13R0.338 CCCCCC(=O)OCOCCSC 2b073c0583fa7d51e9a9eeb4ecb7d607 [0,2,0,0,0,0|2,0,0]=4 9063 B13R0.338 CCCCCCCC(=O)NCCC#N 5c2c54d730ce9630152f20ba0e0e5763 [0,2,0,0,0,0|1,0,1]=4 9064 B13R0.338 CCCCCCCC(=O)NCCCC 73b4d428c178dea5bab8a2815c525daa [0,2,0,0,0,0|1,0,0]=3 9065 B13R0.338 CCCCCCCC(=O)NCCCCl 4797870e074d2bdb24bb09aee99ed694 [0,2,0,0,0,0|1,0,0]=3 9066 B13R0.338 CCCCCCCC(=O)NCCCO 01c902b63825684756788335e5a421cd [0,2,0,0,0,0|1,0,0]=3 9067 B13R0.338 CCCCCCCC(=O)NCCOC 50e327b952fedcc3afe8ea46293bdb90 [0,2,0,0,0,0|1,0,0]=3 9068 B13R0.338 CCCCCCCC(=O)NCCON 776b9dc5558be213bb4a504a79516f13 [0,2,0,0,0,0|2,0,0]=4 9069 B13R0.338 CCCCCCCC(=O)NCCSC b45eb9dd0e06a5cefe706fb6b80d61cd [0,2,0,0,0,0|1,0,0]=3 9070 B13R0.338 CCCCCCNC(=O)/C=C/COC cc397ee22fa71eb35e4773153a2ea7b4 [0,2,0,0,0,0|1,0,1]=4 9071 B13R0.338 CCCCCCNC(=O)/C=C/OCC 97d0c6363cadac80b1dffd8f56c2719b [0,2,0,0,0,0|1,0,1]=4 9072 B13R0.338 CCCCCCNC(=O)C#CCCO a5d12407144e63f28ee2a232da4caeaf [0,2,0,0,0,0|1,0,1]=4 9073 B13R0.338 CCCCCCNC(=O)C#CCOC a317c59d5fa7cecaa8b0adb55b7627a3 [0,2,0,0,0,0|1,0,1]=4 9074 B13R0.338 CCCCCCNC(=O)C=CCOC 75528c97a0b6edc2d70baa8ee53b9090 [0,2,0,0,0,0|1,0,1]=4 9075 B13R0.338 CCCCCCNC(=O)C=COCC 672d9aad4930585efe148ea6329508a6 [0,2,0,0,0,0|1,0,1]=4 9076 B13R0.338 CCCCCCNC(=O)CCCC#N 3bf718684fc8315c36e5641e6f6f63d8 [0,2,0,0,0,0|1,0,0]=3 9077 B13R0.338 CCCCCCNC(=O)CCCC=O 50dc6518989dca27efbb8628d2df2808 [0,2,0,0,0,0|1,0,0]=3 9078 B13R0.338 CCCCCCNC(=O)CCCCC 5fa03ed2f9632de5f1af4ca71b39bf4e [0,2,0,0,0,0|1,0,0]=3 9079 B13R0.338 CCCCCCNC(=O)CCCCF b4d78d83dfb4798a1d3a6f9f073891f7 [0,2,0,0,0,0|1,0,0]=3 9080 B13R0.338 CCCCCCNC(=O)CCCCO a45c2cbde590c7e808f3ad9b26d70eee [0,2,0,0,0,0|1,0,0]=3 9081 B13R0.338 CCCCCCNC(=O)CCCCS 701dbc8a2f64be7aad9881b30a62c45f [0,2,0,0,0,0|1,0,0]=3 9082 B13R0.338 CCCCCCNC(=O)CCCOC 75d5cc27f18348cfb2e3b85208dbc407 [0,2,0,0,0,0|1,0,0]=3 9083 B13R0.338 CCCCCCNC(=O)CCCSC f382bc6e782c48b87d78d08ed45b3a5e [0,2,0,0,0,0|1,0,0]=3 9084 B13R0.338 CCCCCCNC(=O)CCOCC c3d7e28fba3f18b045930ae098df194d [0,2,0,0,0,0|1,0,0]=3 9085 B13R0.338 CCCCCCNC(=O)CCSCC be999e9d86652f26961f8fd81c6e33c0 [0,2,0,0,0,0|1,0,0]=3 9086 B13R0.338 CCCCCCNC(=O)CCSSC b267aa7e6bc68d9c07a2dd862e7d688c [0,2,0,0,0,0|1,0,0]=3 9087 B13R0.338 CCCCCCNC(=O)CNCC#N 36d3ffff2338347d01022c60873480db [0,2,0,0,0,0|1,0,1]=4 9088 B13R0.338 CCCCCCNC(=O)CNCCBr a4f2ac34dafc1bc66dbcd14f415dd2e8 [0,2,0,0,0,0|1,0,0]=3 9089 B13R0.338 CCCCCCNC(=O)CNCCC de4c36650e96a7f511a3ced778d7020f [0,2,0,0,0,0|1,0,0]=3 9090 B13R0.338 CCCCCCNC(=O)CNCCF 5a4c2cc7a6cc168bee24e2095ec24dea [0,2,0,0,0,0|1,0,0]=3 9091 B13R0.338 CCCCCCNC(=O)CNCCI b05743116659f6cfd1cc92f5c8088d6c [0,2,0,0,0,0|1,0,0]=3 9092 B13R0.338 CCCCCCNC(=O)CNCCO 4ee7a77332103a7abc38d996c8994909 [0,2,0,0,0,0|1,0,0]=3 9093 B13R0.338 CCCCCCNC(=O)CNCCS bf11148ef8fe522a6b4ac4df1b1a7046 [0,2,0,0,0,0|1,0,0]=3 9094 B13R0.338 CCCCCCNC(=O)COCC#N 12261b15b0d6c6f53b108ca0e9e6befc [0,2,0,0,0,0|1,0,1]=4 9095 B13R0.338 CCCCCCNC(=O)COCCC 40f273b76938fb28213e95d5f36dd623 [0,2,0,0,0,0|1,0,0]=3 9096 B13R0.338 CCCCCCNC(=O)COCCF 04902241cbd7d7edc1377d0ee48a3b08 [0,2,0,0,0,0|1,0,0]=3 9097 B13R0.338 CCCCCCNC(=O)COCCO 91a89745ada51ba454adb562970e059c [0,2,0,0,0,0|1,0,0]=3 9098 B13R0.338 CCCCCCNC(=O)COCCS 92243d37bd21d03ba76ce28056bf2836 [0,2,0,0,0,0|1,0,0]=3 9099 B13R0.338 CCCCCCNC(=O)COCOC aa1110aff86e90565891e2ff271b2578 [0,2,0,0,0,0|1,0,0]=3 9100 B13R0.338 CCCCCCNC(=O)CSCC#N 82d07a5dbaeb611bc0f4c1ff489f3e01 [0,2,0,0,0,0|1,0,1]=4 9101 B13R0.338 CCCCCCNC(=O)CSCCC bf5ebe807cf2464e07f16bb438086e97 [0,2,0,0,0,0|1,0,0]=3 9102 B13R0.338 CCCCCCNC(=O)NCCC#N 68581f4e9e1e69aaf8195b6ff94a2ed7 [0,2,0,0,0,0|1,0,1]=4 9103 B13R0.338 CCCCCCNC(=O)NCCCC 4ee07715c2490e40ba2f983b3b32b966 [0,2,0,0,0,0|1,0,0]=3 9104 B13R0.338 CCCCCCNC(=O)NCCCN e652c7bdb9946c61110b4e7ce81e3540 [0,2,0,0,0,0|1,0,0]=3 9105 B13R0.338 CCCCCCNC(=O)NCCCO 9658bc0abcf41798fe6406be0dd892ed [0,2,0,0,0,0|1,0,0]=3 9106 B13R0.338 CCCCCCNC(=O)NCCOC 11d556975de1545bdd808bdddb87bfdf [0,2,0,0,0,0|1,0,0]=3 9107 B13R0.338 CCCCCCNC(=O)NCCON e7682f45d4b9903e818e2aedc48a89fc [0,2,0,0,0,0|2,0,0]=4 9108 B13R0.338 CCCCCCNC(=O)NCCSC f80ca452537b4bc4e7c52a5bdf5723d6 [0,2,0,0,0,0|1,0,0]=3 9109 B13R0.338 CCCCCCNC(=S)NCCCC f4927392955a8bc259988e7ab73f9f24 [0,2,0,0,0,0|1,1,0]=4 9110 B13R0.338 CCCCCCNC(=S)NCCCN 04f07ee87d017f83bf2d8f4e158c27d9 [0,2,0,0,0,0|1,1,0]=4 9111 B13R0.338 CCCCCCNC(=S)NCCCO 5d4a783d82d06666f511383a2159f4a0 [0,2,0,0,0,0|1,1,0]=4 9112 B13R0.338 CCCCCCNC(=S)NCCOC 50d6226dc990e72488781352b2512f46 [0,2,0,0,0,0|1,1,0]=4 9113 B13R0.338 CCCCCCNC(=S)NCCSC f77a8f8afe03b17df182505bc8b5b05d [0,2,0,0,0,0|1,1,0]=4 9114 B13R0.338 CCCCCCOC(C)CCCCC d5ea805fa0d0bc2a61d5093e67afa420 [0,2,0,0,0,0|1,0,1]=4 9115 B13R0.338 CCCCCCOC(C)COCCC 5736e8e039cd0c4397a4b97962dde1c6 [0,2,0,0,0,0|1,0,1]=4 9116 B13R0.338 CCCCCCO[C@@H](C)CCCCC 073506f3add1d5e4531cff830332875c [0,2,0,0,0,0|1,0,1]=4 9117 B13R0.338 CCCCCCO[C@H](C)CCCCC 04b7f4f3e00036367fb187758cc85eaa [0,2,0,0,0,0|1,0,1]=4 9118 B13R0.338 CCCCCNCC(=O)CCCCC 8e71780352fc67185dc3bc69181aedb3 [0,2,0,0,0,0|2,0,0]=4 9119 B13R0.338 CCCCCNCC(=O)NCCCC 46129e67ec38cd5762d0aa279e368321 [0,2,0,0,0,0|2,0,0]=4 9120 B13R0.338 CCCCCNCC(=O)NCCOC 6b41b23b302124a1439553474bac86a7 [0,2,0,0,0,0|2,0,0]=4 9121 B13R0.338 CCCCCNCC(=O)OCCCC 037b856c3b5867563ffc74d016b35b55 [0,2,0,0,0,0|2,0,0]=4 9122 B13R0.338 CCCCCNCC(=O)OCCOC 763a112a61bdd313118211c25de885d5 [0,2,0,0,0,0|2,0,0]=4 9123 B13R0.338 CCCCCOCC(=O)CCCCC 3dcdfad50fb83bf32a31f148bd774271 [0,2,0,0,0,0|2,0,0]=4 9124 B13R0.338 CCCCCOCC(=O)NCCCC 6e7a6c36ed99baf5b4b70f50e539f92b [0,2,0,0,0,0|2,0,0]=4 9125 B13R0.338 CCCCCOCC(=O)NCCOC b2daf67870cf79e8f172197ff8a41e71 [0,2,0,0,0,0|2,0,0]=4 9126 B13R0.338 CCCCCOCC(=O)OCCCC 7c7872f1e30a839e47f94160082f476b [0,2,0,0,0,0|2,0,0]=4 9127 B13R0.338 CCCCCOCC(=O)OCCOC b6ecb60292b10313b188ab9b1dcbf098 [0,2,0,0,0,0|2,0,0]=4 9128 B13R0.338 CCCCNC(=O)CCCCCCF c38f6a8558fdc0a7a08277bc178aa443 [0,2,0,0,0,0|2,0,0]=4 9129 B13R0.338 CCCCNC(=O)CCCCCCO 8168341523862bcdb6012d9511a1fc35 [0,2,0,0,0,0|2,0,0]=4 9130 B13R0.338 CCCCNC(=O)CCCCCCS 7b66aef4dbfed9f81363d905794c8fee [0,2,0,0,0,0|2,0,0]=4 9131 B13R0.338 CCCCNC(=O)CCCCCOC 4609be00e5ad3da54323cdfd91c988f5 [0,2,0,0,0,0|2,0,0]=4 9132 B13R0.338 CCCCNC(=O)CCCCOCC 0f7fe9c45c72b8494f6077d2f3a304c0 [0,2,0,0,0,0|2,0,0]=4 9133 B13R0.338 CCCCNC(=O)CCOCCCC e4f953eaf07cfea2f5b5b7be7caa05e3 [0,2,0,0,0,0|2,0,0]=4 9134 B13R0.338 CCCCNC(=O)NCCCCCN c9e7d086e89c9c0dde544aea3453c2be [0,2,0,0,0,0|2,0,0]=4 9135 B13R0.338 CCCCNC(=O)NCCCCCO 4a50082ebc6766fc594906b0a3541003 [0,2,0,0,0,0|2,0,0]=4 9136 B13R0.338 CCCCNC(=O)NCCCCOC cbff34d1b4461ae4b8d5777ae325fee4 [0,2,0,0,0,0|2,0,0]=4 9137 B13R0.338 CCCCNC(=O)NCCCCSC b5e69d313da1959aa50f9e6514f06245 [0,2,0,0,0,0|2,0,0]=4 9138 B13R0.338 CCCCNC(=O)NCCCOCC 0610da2cd8b540c5ab20986ab3240df3 [0,2,0,0,0,0|2,0,0]=4 9139 B13R0.338 CCCCNC(=O)NCCOCCC 15e068bb6b2953d05fdbf818e9cb9223 [0,2,0,0,0,0|2,0,0]=4 9140 B13R0.338 CCCCNCOC(=O)OCCCC 9d4aa96ffaeed01d2b9fb928750ef3a5 [0,2,0,0,0,0|1,0,0]=3 9141 B13R0.338 CCCCOC(=O)CCCOCCC d1147301aadcbcd5d14c8ed41ec5d67d [0,2,0,0,0,0|2,0,0]=4 9142 B13R0.338 CCCCOC(=O)OCNCCCCl 0077d4f99f70e2127982d8352d4cea3a [0,2,0,0,0,0|2,0,0]=4 9143 B13R0.338 CCCCOC(=O)OCNCCCO 16a421edef3ad2d2e95313675605af41 [0,2,0,0,0,0|2,0,0]=4 9144 B13R0.338 CCCCOC(=O)OCNCCOC 45ed93b08ef0b6408805d783ccee269d [0,2,0,0,0,0|2,0,0]=4 9145 B13R0.338 CCCCOC(=O)OCNCCSC 85cadbe3b45be2dc84ea551bf2f7cd21 [0,2,0,0,0,0|2,0,0]=4 9146 B13R0.338 CCCCOC(=O)OCOCCCF 9817de184a79a6ccb0cf9a43d993e484 [0,2,0,0,0,0|2,0,0]=4 9147 B13R0.338 CCCCOC(=O)OCOCCCS 3e9aec471323f033a44905bbfd6cf9cf [0,2,0,0,0,0|2,0,0]=4 9148 B13R0.338 CCCCOC(=O)OCOCCOC 90ca5d2a103c417f59a4917df3d93b56 [0,2,0,0,0,0|2,0,0]=4 9149 B13R0.338 CCCCOC(=O)OCOCCSC c3d20f1c52a6a43e2ae52e2ac244f984 [0,2,0,0,0,0|2,0,0]=4 9150 B13R0.338 CCCCOCCC(=O)NCCCCl 046e14d12dfd0bcacbd74f9e25ae5ab0 [0,2,0,0,0,0|2,0,0]=4 9151 B13R0.338 CCCCOCCC(=O)NCCCO 96c16d7f2487c4ff7197b34c6639f8f0 [0,2,0,0,0,0|2,0,0]=4 9152 B13R0.338 CCCCOCCC(=O)NCCOC 7e008832bde1d22d4520f82f18aa6c11 [0,2,0,0,0,0|2,0,0]=4 9153 B13R0.338 CCCCOCCC(=O)NCCSC 509cb634b37694cb97355c4483900264 [0,2,0,0,0,0|2,0,0]=4 9154 B13R0.338 CCCCOCOC(=O)OCCCC 5fbb89b47413239df4a656baa1948745 [0,2,0,0,0,0|1,0,0]=3 9155 B13R0.338 CCCOCC(=O)NCCCCCCl 8cd1feb8d0b187198effe1b794e39dab [0,2,0,0,0,0|2,0,0]=4 9156 B13R0.338 CCCOCC(=O)NCCCCCO 8386f86e185cca0ab3a77a9932445e37 [0,2,0,0,0,0|2,0,0]=4 9157 B13R0.338 CCCOCC(=O)NCCCCOC dfd55885584937a9fdd08899916f0849 [0,2,0,0,0,0|2,0,0]=4 9158 B13R0.338 CCCOCC(=O)NCCCCSC 9c2daf7ea44fe2d37c9bca4a4d72f965 [0,2,0,0,0,0|2,0,0]=4 9159 B13R0.338 CCCOCC(=O)NCCCOCC 46e856849a80330a91b8cff6698b4212 [0,2,0,0,0,0|2,0,0]=4 9160 B13R0.338 CCCOCCNC(=O)CCCC#N 394e917b81dff0aa74ca9ad60e9f924b [0,2,0,0,0,0|2,0,0]=4 9161 B13R0.338 CCCOCCNC(=O)CCCC=O 9ed9ff7b68da88f392ff5b68728de279 [0,2,0,0,0,0|2,0,0]=4 9162 B13R0.338 CCCOCCNC(=O)CCCCF e01194a26499fe3493d73805d66ee8eb [0,2,0,0,0,0|2,0,0]=4 9163 B13R0.338 CCCOCCNC(=O)CCCCO c078f260e803bfa1c44886c88af9e28f [0,2,0,0,0,0|2,0,0]=4 9164 B13R0.338 CCCOCCNC(=O)CCCCS 76a695bd33f69452b739f2a24f584c9a [0,2,0,0,0,0|2,0,0]=4 9165 B13R0.338 CCCOCCNC(=O)CCCOC 306a860a2314c9480c1d5f16134a26fd [0,2,0,0,0,0|2,0,0]=4 9166 B13R0.338 CCCOCCNC(=O)CCCSC 8bae629514f5c7d2ac3175a9ec55abf7 [0,2,0,0,0,0|2,0,0]=4 9167 B13R0.338 CCCOCCNC(=O)CCOCC 8dba4e2ed5fcf1dae77a35dc14191eea [0,2,0,0,0,0|2,0,0]=4 9168 B13R0.338 CCCOCCNC(=O)CCSCC 98ea8fdacc74d4b5544e3b51e0142c58 [0,2,0,0,0,0|2,0,0]=4 9169 B13R0.338 CCCOCCNC(=O)CCSSC 5ef4dcf1978e8b9a79feeb558f71753e [0,2,0,0,0,0|2,0,0]=4 9170 B13R0.338 CCCOCCNC(=O)COCCC 1989bc03d47445b35114ff997269fc7e [0,2,0,0,0,0|2,0,0]=4 9171 B13R0.338 CCCOCCNC(=O)COCCO bbec72b0ef41aa1310ef44e4da3bfafb [0,2,0,0,0,0|2,0,0]=4 9172 B13R0.338 CCCOCCNC(=O)COCCS 49876a8053f32af8967a60fb2fe6de0f [0,2,0,0,0,0|2,0,0]=4 9173 B13R0.338 CCCOCCNC(=O)CSCCC 25825fa8c247595685cb3dfc3cc32bb9 [0,2,0,0,0,0|2,0,0]=4 9174 B13R0.338 CCCOCCNC(=O)NCCCN e8b43f92c1be8503f9bc1e74a218d24c [0,2,0,0,0,0|2,0,0]=4 9175 B13R0.338 CCCOCCNC(=O)NCCCO 9bfa29b77bd6e1b9f4ad7b3db420ba70 [0,2,0,0,0,0|2,0,0]=4 9176 B13R0.338 CCCOCCNC(=O)NCCOC d9de4973e04bd0d93716b1f510fce1f3 [0,2,0,0,0,0|2,0,0]=4 9177 B13R0.338 CCCOCCNC(=O)NCCSC 97774525c75a8ed01764e5bb99b3b07c [0,2,0,0,0,0|2,0,0]=4 9178 B13R0.338 CCCSCC(=O)NCCCCCCl 77b1f77560d0932d15d60a481a421d92 [0,2,0,0,0,0|2,0,0]=4 9179 B13R0.338 CCCSCC(=O)NCCCCCO 6680846fb4c674409080139ab0701942 [0,2,0,0,0,0|2,0,0]=4 9180 B13R0.338 CCCSCC(=O)NCCCCOC 2abcd36fc77cf2f4082dcf3e30fae7bf [0,2,0,0,0,0|2,0,0]=4 9181 B13R0.338 CCCSCC(=O)NCCCCSC cdd3446ec3f3c9d33caed02d081cfb3b [0,2,0,0,0,0|2,0,0]=4 9182 B13R0.338 CCCSCC(=O)NCCCOCC ff9c61a3a8d54287f6b84c208413bc55 [0,2,0,0,0,0|2,0,0]=4 9183 B13R0.338 CCOCCC(=O)NCCCCCCl 7e973b272fafc990e52bb683da78e655 [0,2,0,0,0,0|2,0,0]=4 9184 B13R0.338 CCOCCC(=O)NCCCCCO b0a3d5ada73da3a0c660f77cf79f10dc [0,2,0,0,0,0|2,0,0]=4 9185 B13R0.338 CCOCCC(=O)NCCCCOC c26c51a0537fdffcc6f09af7aae22839 [0,2,0,0,0,0|2,0,0]=4 9186 B13R0.338 CCOCCC(=O)NCCCCSC 5695c45bcaa11a39e911b09e2926bd6f [0,2,0,0,0,0|2,0,0]=4 9187 B13R0.338 CCOCCCCC(=O)NCCCCl da32231823f773f0a7dfc17b92f76bfa [0,2,0,0,0,0|2,0,0]=4 9188 B13R0.338 CCOCCCCC(=O)NCCCO 5addb15c365ba427617ada6b2fd1dfb8 [0,2,0,0,0,0|2,0,0]=4 9189 B13R0.338 CCOCCCCC(=O)NCCOC 79f81aa1e479df4c2060c2d79909efe7 [0,2,0,0,0,0|2,0,0]=4 9190 B13R0.338 CCOCCCCC(=O)NCCSC 9115d5b1492974a466c3295ee9d7ac58 [0,2,0,0,0,0|2,0,0]=4 9191 B13R0.338 CCOCCCNC(=O)CCCC#N 5b5f9c3ce10be57e3b412e5ce4a31672 [0,2,0,0,0,0|2,0,0]=4 9192 B13R0.338 CCOCCCNC(=O)CCCC=O c8afcd230e67685b8ee3e2b947ff61d5 [0,2,0,0,0,0|2,0,0]=4 9193 B13R0.338 CCOCCCNC(=O)CCCCF 47e2968944b81ce47e69651b95a42ffb [0,2,0,0,0,0|2,0,0]=4 9194 B13R0.338 CCOCCCNC(=O)CCCCO b22e0a4f42ccf474af67aa07ad7538f4 [0,2,0,0,0,0|2,0,0]=4 9195 B13R0.338 CCOCCCNC(=O)CCCCS 787e7598b42fc6f0736d32e6d1ef14ed [0,2,0,0,0,0|2,0,0]=4 9196 B13R0.338 CCOCCCNC(=O)CCCOC 4ed4b505a066477f422c14d56165e4b2 [0,2,0,0,0,0|2,0,0]=4 9197 B13R0.338 CCOCCCNC(=O)CCCSC 28d8a7b059ed39a74bae9b0c655511a4 [0,2,0,0,0,0|2,0,0]=4 9198 B13R0.338 CCOCCCNC(=O)CCOCC a0dceef2e51b09d9993b694e9c910d89 [0,2,0,0,0,0|2,0,0]=4 9199 B13R0.338 CCOCCCNC(=O)CCSCC e1d2608ff7509daa96543b7e29ec52f2 [0,2,0,0,0,0|2,0,0]=4 9200 B13R0.338 CCOCCCNC(=O)CCSSC f1f773724d02179b5e6dd89b84bfbf8e [0,2,0,0,0,0|2,0,0]=4 9201 B13R0.338 CCOCCCNC(=O)COCCO 309f15878a74c40dc6f86d160b232de5 [0,2,0,0,0,0|2,0,0]=4 9202 B13R0.338 CCOCCCNC(=O)COCCS 89f6c3abb0e441fb826666ec0008f2c5 [0,2,0,0,0,0|2,0,0]=4 9203 B13R0.338 CCOCCCNC(=O)NCCCN e868306c8922aa4ffb705394e5782263 [0,2,0,0,0,0|2,0,0]=4 9204 B13R0.338 CCOCCCNC(=O)NCCCO 13404042d021645b0382d198da98202f [0,2,0,0,0,0|2,0,0]=4 9205 B13R0.338 CCOCCCNC(=O)NCCOC 418612eac37db73220f63b6b43249397 [0,2,0,0,0,0|2,0,0]=4 9206 B13R0.338 CCOCCCNC(=O)NCCSC fe249b2d2e6f7a4512e384f744f2818c [0,2,0,0,0,0|2,0,0]=4 9207 B13R0.338 CCSCCC(=O)NCCCCCCl e061f761f80ea8edaf3449a659e489f0 [0,2,0,0,0,0|2,0,0]=4 9208 B13R0.338 CCSCCC(=O)NCCCCCO ce9544c5f293281d24a275cb381c6c3f [0,2,0,0,0,0|2,0,0]=4 9209 B13R0.338 CCSCCC(=O)NCCCCOC ba56b9bd6261caf26e2eaed2f19f2112 [0,2,0,0,0,0|2,0,0]=4 9210 B13R0.338 CCSCCC(=O)NCCCCSC b0d32c240f37d42e885571a7a7bc3cfb [0,2,0,0,0,0|2,0,0]=4 9211 B13R0.338 COCCCC(=O)NCCCCCCl c199f52b851c882a336c8acd3535a7a5 [0,2,0,0,0,0|2,0,0]=4 9212 B13R0.338 COCCCC(=O)NCCCCCO 71be3bb80de8f81a05f2e70de2e912eb [0,2,0,0,0,0|2,0,0]=4 9213 B13R0.338 COCCCC(=O)NCCCCSC 2fcce0598e345e40fe64f4fe7b9b7f8d [0,2,0,0,0,0|2,0,0]=4 9214 B13R0.338 COCCCCCC(=O)NCCCCl 13cd43cbd20248ff9887bbf26508ef72 [0,2,0,0,0,0|2,0,0]=4 9215 B13R0.338 COCCCCCC(=O)NCCCO da85a3cdf02b499c6287c21dc8db0823 [0,2,0,0,0,0|2,0,0]=4 9216 B13R0.338 COCCCCCC(=O)NCCOC 19ea95da81764315cd9ddf7fb3bab12e [0,2,0,0,0,0|2,0,0]=4 9217 B13R0.338 COCCCCCC(=O)NCCSC f43d329afe08889ff46765e0b33a9cdf [0,2,0,0,0,0|2,0,0]=4 9218 B13R0.338 COCCCCNC(=O)CCCC#N 2c804b77faf25469de0acfba0c012067 [0,2,0,0,0,0|2,0,0]=4 9219 B13R0.338 COCCCCNC(=O)CCCC=O 876ed767c1cf15cf86947a6d2b05b4ec [0,2,0,0,0,0|2,0,0]=4 9220 B13R0.338 COCCCCNC(=O)CCCCF 8f1bbeb5bb08fef5b63a00ffe47cf18f [0,2,0,0,0,0|2,0,0]=4 9221 B13R0.338 COCCCCNC(=O)CCCCO 33e2906291f29873ab2a20ab8da1d75a [0,2,0,0,0,0|2,0,0]=4 9222 B13R0.338 COCCCCNC(=O)CCCCS c83264b396682d69999bae2a7038231f [0,2,0,0,0,0|2,0,0]=4 9223 B13R0.338 COCCCCNC(=O)CCCOC 6e40dcdbb1356a6d0c9e86b59cb8d5fc [0,2,0,0,0,0|2,0,0]=4 9224 B13R0.338 COCCCCNC(=O)CCCSC 9a60d3dbc7a22ee9f56785cdca96296b [0,2,0,0,0,0|2,0,0]=4 9225 B13R0.338 COCCCCNC(=O)CCSSC d5c07dbad045bfdde248c5537afcb408 [0,2,0,0,0,0|2,0,0]=4 9226 B13R0.338 COCCCCNC(=O)COCCO 52a4e0cff178808e308960dc00604d08 [0,2,0,0,0,0|2,0,0]=4 9227 B13R0.338 COCCCCNC(=O)COCCS 8d7aeed80f6dcdec668c4c9d01df36bb [0,2,0,0,0,0|2,0,0]=4 9228 B13R0.338 COCCCCNC(=O)NCCCN ce86702f804b96a0971819a721572524 [0,2,0,0,0,0|2,0,0]=4 9229 B13R0.338 COCCCCNC(=O)NCCCO fd50c3b3584a09b7d538ba5b484db148 [0,2,0,0,0,0|2,0,0]=4 9230 B13R0.338 COCCCCNC(=O)NCCOC ccf6a3a42e289e3e72c42c77abfb7314 [0,2,0,0,0,0|2,0,0]=4 9231 B13R0.338 COCCCCNC(=O)NCCSC 9ae359ee297cc94080099915f6297db5 [0,2,0,0,0,0|2,0,0]=4 9232 B13R0.338 COCCNC(=O)CCCCCCF 2422cc98be879cb317f488f234c56bb2 [0,2,0,0,0,0|2,0,0]=4 9233 B13R0.338 COCCNC(=O)CCCCCCO 5484b328c4e1674636e0762f748476a3 [0,2,0,0,0,0|2,0,0]=4 9234 B13R0.338 COCCNC(=O)CCCCCCS 5e14781b857107acd8647de57c714e0f [0,2,0,0,0,0|2,0,0]=4 9235 B13R0.338 COCCNC(=O)NCCCCCN 33a9dc3b1b12611e04c0fc12f5bfe18d [0,2,0,0,0,0|2,0,0]=4 9236 B13R0.338 COCCNC(=O)NCCCCCO a94b86c3fd823435084170fbe2af04f5 [0,2,0,0,0,0|2,0,0]=4 9237 B13R0.338 COCCNC(=O)NCCCCSC acd9c9474ca41dd732a39d757eeee41a [0,2,0,0,0,0|2,0,0]=4 9238 B13R0.338 CSCCCC(=O)NCCCCCCl 41776c01ae435cae99b786a6b1edc2c5 [0,2,0,0,0,0|2,0,0]=4 9239 B13R0.338 CSCCCC(=O)NCCCCCO 41a4f6d80e3d52df72c0a31eac3f39a0 [0,2,0,0,0,0|2,0,0]=4 9240 B13R0.338 CSCCCCNC(=O)CCCC#N 17b8af51eb15fd35d9481a29d239bdd6 [0,2,0,0,0,0|2,0,0]=4 9241 B13R0.338 CSCCCCNC(=O)CCCC=O 5e26efdf20477d5a726becddd448b71d [0,2,0,0,0,0|2,0,0]=4 9242 B13R0.338 CSCCCCNC(=O)CCCCF 85fec7293f1b6775c42de36597951a84 [0,2,0,0,0,0|2,0,0]=4 9243 B13R0.338 CSCCCCNC(=O)CCCCO 8b7cf58d6148e7f4670c037ea059fbbb [0,2,0,0,0,0|2,0,0]=4 9244 B13R0.338 CSCCCCNC(=O)CCCCS 1077e8745bc785ad37808418d4e83c6c [0,2,0,0,0,0|2,0,0]=4 9245 B13R0.338 CSCCCCNC(=O)CCCSC 5c46b61414a58afa2155cbc9cc11cbf6 [0,2,0,0,0,0|2,0,0]=4 9246 B13R0.338 CSCCCCNC(=O)CCSSC 6042197379a5ab5c7073c1b4b322bda4 [0,2,0,0,0,0|2,0,0]=4 9247 B13R0.338 CSCCCCNC(=O)COCCO 258a290163978b97dfd9a583ec62a74d [0,2,0,0,0,0|2,0,0]=4 9248 B13R0.338 CSCCCCNC(=O)COCCS e3c13ee8928217eeb779a06bbdd3b8e7 [0,2,0,0,0,0|2,0,0]=4 9249 B13R0.338 CSCCCCNC(=O)NCCCN 76090cf5e90da79f0634becc39ac26ed [0,2,0,0,0,0|2,0,0]=4 9250 B13R0.338 CSCCCCNC(=O)NCCCO 1a655d3445a249c6f4f5fa51ab2c80d2 [0,2,0,0,0,0|2,0,0]=4 9251 B13R0.338 CSCCCCNC(=O)NCCSC 82956add103db38712eb9411a7a4e86e [0,2,0,0,0,0|2,0,0]=4 9252 B13R0.338 CSCCNC(=O)CCCCCCF 9dc49ecf6abc797f8c5b88546b19c183 [0,2,0,0,0,0|2,0,0]=4 9253 B13R0.338 CSCCNC(=O)CCCCCCO 24a02a06f9e420466e51c19fcf9c639e [0,2,0,0,0,0|2,0,0]=4 9254 B13R0.338 CSCCNC(=O)CCCCCCS 1f4300c6ebcbaad5698353e5c271008d [0,2,0,0,0,0|2,0,0]=4 9255 B13R0.338 CSCCNC(=O)NCCCCCN a1f1ec614df101ccc62887f32b24739d [0,2,0,0,0,0|2,0,0]=4 9256 B13R0.338 CSCCNC(=O)NCCCCCO c85925844565d540fbe95aac93c03e00 [0,2,0,0,0,0|2,0,0]=4 9257 B13R0.338 CSSCCC(=O)NCCCCCCl c1a614985cc172e544f9d5a5d52b9fa7 [0,2,0,0,0,0|2,0,0]=4 9258 B13R0.338 CSSCCC(=O)NCCCCCO dec07a5c7d0f53d7f0b07006617eb4af [0,2,0,0,0,0|2,0,0]=4 9259 B13R0.338 N#CCCCC(=O)NCCCCCCl f4c78f7ee27c6c929f2d55917e6b5609 [0,2,0,0,0,0|2,0,0]=4 9260 B13R0.338 N#CCCCC(=O)NCCCCCO d6c5c15bfb9cf352d406eb120a738706 [0,2,0,0,0,0|2,0,0]=4 9261 B13R0.338 NCCCCCNC(=O)NCCCN bd774e2c53dc3da312bc211ea7e383eb [0,2,0,0,0,0|2,0,0]=4 9262 B13R0.338 NCCCCCNC(=O)NCCCO 4d53e0a83316477ddd359d9bf16a1582 [0,2,0,0,0,0|2,0,0]=4 9263 B13R0.338 NCCCNC(=O)NCCCCCO 4fa7d116f52658052fb7460253d35788 [0,2,0,0,0,0|2,0,0]=4 9264 B13R0.338 O=C(CCCCCCF)NCCCCl 5044a8a2ab4efbeceffc64db08783ce5 [0,2,0,0,0,0|2,0,0]=4 9265 B13R0.338 O=C(CCCCCCF)NCCCO 78b3c7c2cef70b797d8f5aa698806896 [0,2,0,0,0,0|2,0,0]=4 9266 B13R0.338 O=C(CCCCCCO)NCCCCl 7d828f2acf87627ca5e3939f341d70a2 [0,2,0,0,0,0|2,0,0]=4 9267 B13R0.338 O=C(CCCCCCO)NCCCO f30d03c51ede70ac3802e8642c073f9c [0,2,0,0,0,0|2,0,0]=4 9268 B13R0.338 O=C(CCCCCCS)NCCCCl 0b971b2c95912438a98bb465f5f4251c [0,2,0,0,0,0|2,0,0]=4 9269 B13R0.338 O=C(CCCCCCS)NCCCO 9bd293ddc862ac08cf15ba44f236602a [0,2,0,0,0,0|2,0,0]=4 9270 B13R0.338 O=C(CCCCF)NCCCCCCl 7876a66beb83eb3adb5aacd59283a19e [0,2,0,0,0,0|2,0,0]=4 9271 B13R0.338 O=C(CCCCF)NCCCCCO 9eb4dd45cb62ff472c3161246d3b1d17 [0,2,0,0,0,0|2,0,0]=4 9272 B13R0.338 O=C(CCCCO)NCCCCCCl bae642f29459185a7cc53be75cbb9802 [0,2,0,0,0,0|2,0,0]=4 9273 B13R0.338 O=C(CCCCO)NCCCCCO 5adaf4d3b33379ffce54401d5fd4cb82 [0,2,0,0,0,0|2,0,0]=4 9274 B13R0.338 O=C(CCCCS)NCCCCCCl 1ad026ea1d199eadc2c3fa78a0cbc005 [0,2,0,0,0,0|2,0,0]=4 9275 B13R0.338 O=C(CCCCS)NCCCCCO fe9b58e4573398db4988956f5dc7045b [0,2,0,0,0,0|2,0,0]=4 9276 B13R0.338 O=C(COCCO)NCCCCCCl 51798b2b49043d2b69a01954dcbd7e8b [0,2,0,0,0,0|2,0,0]=4 9277 B13R0.338 O=C(COCCO)NCCCCCO d1ec740b326b233a2b28ad42baa268bc [0,2,0,0,0,0|2,0,0]=4 9278 B13R0.338 O=C(COCCS)NCCCCCCl 2d961146c9d2688be6513d0c9b05adc4 [0,2,0,0,0,0|2,0,0]=4 9279 B13R0.338 O=C(COCCS)NCCCCCO 2b429556c8240e04cee998f7ec1d003c [0,2,0,0,0,0|2,0,0]=4 9280 B13R0.338 O=C(NCCCO)NCCCCCO b5ff242ab90d844f765a00cb2b5a57b9 [0,2,0,0,0,0|2,0,0]=4 9281 B13R0.338 O=CCCCC(=O)NCCCCCCl 9226a51124c8044c9b697551e4a54d00 [0,2,0,0,0,0|2,0,0]=4 9282 B13R0.338 O=CCCCC(=O)NCCCCCO a69382a255479e02fbe35bf1000c0fcc [0,2,0,0,0,0|2,0,0]=4 9283 B13R0.89 CCCC(C)CC(C)OC(C)CCC 3495f546823a1029cd1d76c578834674 [0,2,0,0,0,0|1,0,1]=4 9284 B13R0.89 CCCC(C)NC(C)OC(=O)OCC fd7e771ab7c8322eca32676610f2c3f5 [0,2,0,0,0,0|2,0,0]=4 9285 B13R0.89 CCCC(C)OC(C)OC(=O)OCC b0fd3be1d755f876f0c827408a568e71 [0,2,0,0,0,0|2,0,0]=4 9286 B13R0.89 CCC[C@@H](C)OC(C)OC(=O)OCC a95976212bb7c370be31711b29e130ad [0,2,0,0,0,0|2,0,0]=4 9287 B13R0.89 CCC[C@H](C)NC(C)OC(=O)OCC 1dc5d7f7b84636d276e5699f616f12e7 [0,2,0,0,0,0|2,0,0]=4 9288 B13R0.89 CCC[C@H](C)OC(C)OC(=O)OCC 24538a1405e9e63f1b06f59e3196ee71 [0,2,0,0,0,0|2,0,0]=4 9289 B13R0.331 CC(C)CCCC(C)NC(=O)CCF 65ad9584b3d4e1a33480405c8923cb0c [0,2,0,0,0,0|2,0,0]=4 9290 B13R0.331 CC(C)CCCC(C)NC(=O)CCO 87a5ca1dc191ee93eaafdafdc70b6318 [0,2,0,0,0,0|2,0,0]=4 9291 B13R0.331 CC(C)CCCC(C)NC(=O)CCS 40ae739810826620712efd1cbd2d9180 [0,2,0,0,0,0|2,0,0]=4 9292 B13R0.331 CCCC(=O)NC(C)CCCC(C)C 31b43136cdfdf210f5efe972ee53a574 [0,2,0,0,0,0|1,0,0]=3 9293 B13R0.331 CCCC(C)OC(C)CCCC(C)C fb443604b4207f304311eee3870c3441 [0,2,0,0,0,0|1,0,1]=4 9294 B13R0.331 CCOC(=O)OC(C)NCCC(C)C 962619cb2de893266bfd755c48bea3b4 [0,2,0,0,0,0|2,0,0]=4 9295 B13R0.331 CCOC(=O)OC(C)NCCC(C)O 5c0b4362fbc4d59cd3c85b11ac8e327b [0,2,0,0,0,0|2,0,0]=4 9296 B13R0.331 CCOC(=O)OC(C)NCC[C@@H](C)O 587086fdf8f1e725ec7f0005e9e14ce4 [0,2,0,0,0,0|2,0,0]=4 9297 B13R0.331 CCOC(=O)OC(C)NCC[C@H](C)O 170f9a65950878ff1d7df88370f4620a [0,2,0,0,0,0|2,0,0]=4 9298 B13R0.331 CCOC(=O)OC(C)OCCC(C)C b3044364e8c496a4888dae7360b36e15 [0,2,0,0,0,0|2,0,0]=4 9299 B13R0.331 COCC(=O)NC(C)CCCC(C)C 2f3ef13667f30b766237b1d2fbda32de [0,2,0,0,0,0|2,0,0]=4 9300 B13R0.331 CSCC(=O)NC(C)CCCC(C)C fbffdef8212e9fda20be40c4fe7a75ba [0,2,0,0,0,0|2,0,0]=4 9301 B13R0.809 CCCC(=O)NC(C)(C)CCCCO 0dedaf33d3ed39d8e1619e4eb53bb61c [0,2,0,0,0,0|2,0,0]=4 9302 B13R0.1051 C#CC(CCCCC)OC(C)CCC 42638057100088b5e2aa2a0adc01c702 [0,2,0,0,0,0|1,0,1]=4 9303 B13R0.1051 C#C[C@H](CCCCC)OC(C)CCC 86c908497beffa67058ab489dfba02a2 [0,2,0,0,0,0|1,0,1]=4 9304 B13R0.1051 C=CC(CCCCC)OC(C)CCC 44f9ee015d6ce00959010ae257b40dc3 [0,2,0,0,0,0|1,0,1]=4 9305 B13R0.1051 C=C[C@H](CCCCC)OC(C)CCC d70a7375bd2f49676e3c9d6a17cbf393 [0,2,0,0,0,0|1,0,1]=4 9306 B13R0.1051 CCCCCC(CC)OC(C)CCC 772e1b85777d32c91203815bbfd594de [0,2,0,0,0,0|1,0,1]=4 9307 B13R0.1051 CCCCC[C@H](CC)OC(C)CCC b94cafc9fd81df4bbb7bf484005554f9 [0,2,0,0,0,0|1,0,1]=4 9308 B13R0.1521 CCCC(C)OC(C)CCC(C)CC b58c8825d6952502ba405a5e32f7079c [0,2,0,0,0,0|1,0,1]=4 9309 B13R0.1521 CCOC(=O)OC(C)NCC(C)CC 12c0e31617714295047603cf4a8e1ecd [0,2,0,0,0,0|2,0,0]=4 9310 B13R0.1521 CCOC(=O)OC(C)NCC(O)CC f7baaba1f8552ea8d23171d73837100a [0,2,0,0,0,0|2,0,0]=4 9311 B13R0.1521 CCOC(=O)OC(C)NC[C@@H](C)CC b3b6502be254b57f48a634e9205c6fa4 [0,2,0,0,0,0|2,0,0]=4 9312 B13R0.1521 CCOC(=O)OC(C)NC[C@H](O)CC a7da4edcb97c8d906c16c7e30ffd7fea [0,2,0,0,0,0|2,0,0]=4 9313 B13R0.1521 CCOC(=O)OC(C)OCC(C)CC c9a663fda3429e3b67994bba7d28b11c [0,2,0,0,0,0|2,0,0]=4 9314 B13R0.1521 CCOC(=O)OC(C)OC[C@@H](C)CC 4f738715dc9717eda433e93a4a534634 [0,2,0,0,0,0|2,0,0]=4 9315 B13R0.1521 CCOC(=O)OC(C)OC[C@H](C)CC 843ace36bed6dbf80bb373c0c1c7d857 [0,2,0,0,0,0|2,0,0]=4 9316 B13R0.91 CCCC(=O)COCCC(C)C(C)C e116fbbf5843168bce36110a97eec9bc [0,2,0,0,0,0|2,0,0]=4 9317 B13R0.91 CCCC(=O)OCCOC(C)C(=O)C 535869eb0250e4b0641937c324b413ae [0,2,0,0,0,0|1,0,1]=4 9318 B13R0.91 CCCC(=O)OCCOC(C)C(C)C 544464fe16fb8722d2c002b62e149881 [0,2,0,0,0,0|1,0,0]=3 9319 B13R0.91 CCCC(=O)OCNCC(O)C(C)C e57cd7b1a1911818e67b3f26f706f669 [0,2,0,0,0,0|1,0,0]=3 9320 B13R0.91 CCCC(=O)OCNCC(O)C(F)F 7c516b34f7659506d1f3dac1349f3e68 [0,2,0,0,0,0|2,0,0]=4 9321 B13R0.91 CCCC(=O)OCOCC(C)C(=O)C 1ce238fb4910074438af4e361fd5cd29 [0,2,0,0,0,0|1,0,1]=4 9322 B13R0.91 CCCC(=O)OCOCC(C)C(C)C 9134db124223d1b71dabebb5098b3a5b [0,2,0,0,0,0|1,0,0]=3 9323 B13R0.91 CCCC(=O)OCOCC(C)N(C)C eb8ab618492d8669b855d5854c20e25b [0,2,0,0,0,0|2,0,0]=4 9324 B13R0.91 CCCC(=O)OCOC[C@@H](C)N(C)C 9e7ec1fa311e67d420f2adde0a13cfd2 [0,2,0,0,0,0|2,0,0]=4 9325 B13R0.91 CCCC(=O)OCOC[C@H](C)N(C)C b51d7ea0bef40c0a79d0e77ecd0b820a [0,2,0,0,0,0|2,0,0]=4 9326 B13R0.91 CCOC(=O)OCNCC(O)C(C)C 167b5c33fbfb9ad13b32090d426e4f21 [0,2,0,0,0,0|2,0,0]=4 9327 B13R0.91 CCOC(=O)OCOCC(C)C(C)C ec4965c7b54f97688518c486c02fc890 [0,2,0,0,0,0|2,0,0]=4 9328 B13R0.91 CCSC(=O)OCNCC(O)C(C)C 0a82e5e2d0de1fede8407d4f73607324 [0,2,0,0,0,0|2,0,0]=4 9329 B13R0.91 CCSC(=O)OCOCC(C)C(C)C 56b0c252508cea5a2fab41be55f9912b [0,2,0,0,0,0|2,0,0]=4 9330 B13R0.423 CCCC(=O)NCCCC(C)(C)CO b3527731f53e6ee2f134d1e61d39dd31 [0,2,0,0,0,0|2,0,0]=4 9331 B13R0.423 CCCC(=O)OCNCC(C)(C)CC c2d425c553b902bbbe4a1d0f438c8c7b [0,2,0,0,0,0|1,0,0]=3 9332 B13R0.423 CCCC(=O)OCNCC(C)(C)CF 138a8f7d79033d4bead4af0950d93d51 [0,2,0,0,0,0|2,0,0]=4 9333 B13R0.423 CCCC(=O)OCNCC(C)(C)CO 44f44d4bdfb2f8f09f679197fc2a55c6 [0,2,0,0,0,0|2,0,0]=4 9334 B13R0.423 CCCC(=O)OCNCC(C)(C)OC 2594d8cc6b66746baba3679f8ea2b228 [0,2,0,0,0,0|2,0,0]=4 9335 B13R0.423 CCCC(=O)OCNCC(C)(O)CC 0f2bec80738fe8db938c9b061006805a [0,2,0,0,0,0|1,0,0]=3 9336 B13R0.423 CCCC(=O)OCOCC(C)(C)CF 6464c3cdfc4940a2a6b918c8f4653100 [0,2,0,0,0,0|2,0,0]=4 9337 B13R0.423 CCCC(=O)OCOCC(C)(C)OC eef0b4850235c0c6d4f61890486af68f [0,2,0,0,0,0|2,0,0]=4 9338 B13R0.423 CCCC(=O)OCOCC(F)(F)CC 155aa1397716673872ed44b23ce16c36 [0,2,0,0,0,0|1,0,0]=3 9339 B13R0.423 CCOC(=O)OCNCC(C)(C)CC a54c88faec487c6244d5949bab5e6a52 [0,2,0,0,0,0|2,0,0]=4 9340 B13R0.423 CCOC(=O)OCNCC(C)(O)CC 0849bf383eb31b43663ce5e16c0edfb1 [0,2,0,0,0,0|2,0,0]=4 9341 B13R0.423 CCOC(=O)OCOCC(F)(F)CC e28fc3d36372802a05f4e71bc8ea0c38 [0,2,0,0,0,0|2,0,0]=4 9342 B13R0.423 CCSC(=O)OCNCC(C)(C)CC 25e9e57368045f180cdb6dd809f25e98 [0,2,0,0,0,0|2,0,0]=4 9343 B13R0.423 CCSC(=O)OCNCC(C)(O)CC 4f1b9667511067ddbf6c5c654a24cdeb [0,2,0,0,0,0|2,0,0]=4 9344 B13R0.423 CCSC(=O)OCOCC(F)(F)CC d5998ea223d0a896de604501094c417e [0,2,0,0,0,0|2,0,0]=4 9345 B13R0.1115 CCCC(=O)CNCCC(CC)CC f1383373a779b45df1340bf727c6247a [0,2,0,0,0,0|2,0,0]=4 9346 B13R0.1115 CCCC(=O)NCCCC(OC)OC 533fa08dd4c5f9f86679ef453c44074a [0,2,0,0,0,0|2,0,0]=4 9347 B13R0.1115 CCCC(=O)NCCCN(CC)CC 797f4dd9ec2d5e735be43905e1950b65 [0,2,0,0,0,0|2,0,0]=4 9348 B13R0.1115 CCCC(=O)OCCOC(C=O)CC 551f78da16371a0dfcd5bc68182f21ad [0,2,0,0,0,0|1,0,0]=3 9349 B13R0.1115 CCCC(=O)OCCOC(CC)CC 81165a49508d70911ccbc236daa51252 [0,2,0,0,0,0|1,0,0]=3 9350 B13R0.1115 CCCC(=O)OCCOC(CO)CO 40223c99bcc0180135f8dcf3f1b8efd5 [0,2,0,0,0,0|2,0,0]=4 9351 B13R0.1115 CCCC(=O)OCNCC(CC)CO 1d1d02e5eabe2ffc49db45f3e6f9a9f0 [0,2,0,0,0,0|1,0,0]=3 9352 B13R0.1115 CCCC(=O)OCOCC(CBr)CBr edca41faaa854be4ae48f5cb386b8766 [0,2,0,0,0,0|2,0,0]=4 9353 B13R0.1115 CCCC(=O)OCOCC(CC)CC 70d01bf491599ccdf9f4fdc2d7022847 [0,2,0,0,0,0|1,0,0]=3 9354 B13R0.1115 CCCC(=O)OCOCC(CC)OC b96c5c27f410df19ebfd801da7178450 [0,2,0,0,0,0|1,0,0]=3 9355 B13R0.1115 CCCC(=O)OCOCC(OC)OC 21c23c01b2d85430261d9ba34caa963e [0,2,0,0,0,0|2,0,0]=4 9356 B13R0.1115 CCCC(=O)OCOCN(CC)CC 8309355537c6f880249e6c55f963537b [0,2,0,0,0,0|2,0,0]=4 9357 B13R0.1115 CCCC(=S)OCCCC(OC)OC 4c6596e4e2286c39174850a8c2e6445e [0,2,0,0,0,0|1,1,0]=4 9358 B13R0.1115 CCCC(=S)OCCCN(CC)CC bc6d33853c22a485edf9d6164138bc85 [0,2,0,0,0,0|1,1,0]=4 9359 B13R0.1115 CCOC(=O)OCNCC(CC)CC 5cab866963da158b93681416b363b531 [0,2,0,0,0,0|2,0,0]=4 9360 B13R0.1115 CCOC(=O)OCNCC(CC)CO de912bf2295e6a2a6d372587d9ce2da0 [0,2,0,0,0,0|2,0,0]=4 9361 B13R0.1115 CCOC(=O)OCOCC(CC)CC 28c760f3cf9efc7087b6c63b1e9ca2b6 [0,2,0,0,0,0|2,0,0]=4 9362 B13R0.1115 CCOC(=O)OCOCC(CC)OC 525d8c886a4b4191bb1ee03d1060a323 [0,2,0,0,0,0|2,0,0]=4 9363 B13R0.1115 CCSC(=O)OCNCC(CC)CC 69d3155d800b618a063fd0fc9b74f2ca [0,2,0,0,0,0|2,0,0]=4 9364 B13R0.1115 CCSC(=O)OCNCC(CC)CO bc3510b30ae211b2bb54cbc2fcab963b [0,2,0,0,0,0|2,0,0]=4 9365 B13R0.1115 CCSC(=O)OCOCC(CC)CC d4e4595872fbfffb9259a4beb1634e5e [0,2,0,0,0,0|2,0,0]=4 9366 B13R0.1115 CCSC(=O)OCOCC(CC)OC a7156b72cdbb987e2569a2ee2f7ca24b [0,2,0,0,0,0|2,0,0]=4 9367 B13R0.21 CCCC(=O)CNCCCC(C)(C)C ddf35792c238700868bf4e83d97eebfc [0,2,0,0,0,0|2,0,0]=4 9368 B13R0.21 CCCC(=O)CNCCCC(C)(C)O e4a695ebe6655bf6931d5f4a7d9f9a17 [0,2,0,0,0,0|2,0,0]=4 9369 B13R0.21 CCCC(=O)COCCCC(C)(C)C 00558565d3834e7772f61858848bd05f [0,2,0,0,0,0|2,0,0]=4 9370 B13R0.21 CCCC(=O)NCCCCC(F)(F)F e7a49d582032d1a2e377cbe00a1058b8 [0,2,0,0,0,0|2,0,0]=4 9371 B13R0.21 CCCC(=O)NCCCCS(=O)(=O)C c5cdc0e6fe1bbc0b1bf08ab4d1bca061 [0,2,0,0,0,0|2,0,0]=4 9372 B13R0.21 CCCC(=O)NCCCOC(C)(C)C bd3224ae1995f78dc8508f7985797695 [0,2,0,0,0,0|2,0,0]=4 9373 B13R0.21 CCCC(=O)OCCOCC(C)(C)C 438326437140e00556068b5514c5139c [0,2,0,0,0,0|1,0,0]=3 9374 B13R0.21 CCCC(=O)OCCOCC(C)(C)F ed0e7121787bfc924d0ffdc49e09d19f [0,2,0,0,0,0|1,0,0]=3 9375 B13R0.21 CCCC(=O)OCCOCC(C)(C)O 8e7634842dc50627f8495ee61045b6b4 [0,2,0,0,0,0|1,0,0]=3 9376 B13R0.21 CCCC(=O)OCCOCC(C)(F)F dfed780b97c0f458b2406a1ae0832a8c [0,2,0,0,0,0|1,0,0]=3 9377 B13R0.21 CCCC(=O)OCCOCC(F)(F)F c04b4ff9bb5e465ec93f15579601fd88 [0,2,0,0,0,0|2,0,0]=4 9378 B13R0.21 CCCC(=O)OCCOCS(=O)(=O)C 3b2d97bbd10110fb8fe3a06f8b625e92 [0,2,0,0,0,0|2,0,0]=4 9379 B13R0.21 CCCC(=O)OCNCCC(C)(C)C 2396457391f080d3bf5c31eb3922e8c6 [0,2,0,0,0,0|1,0,0]=3 9380 B13R0.21 CCCC(=O)OCNCCC(C)(C)F 8e3a0cbbb53f58e29893416cad357d53 [0,2,0,0,0,0|1,0,0]=3 9381 B13R0.21 CCCC(=O)OCNCCC(C)(C)O dc12c134c27acac67698521e89c56644 [0,2,0,0,0,0|1,0,0]=3 9382 B13R0.21 CCCC(=O)OCNCCC(F)(F)F 7ec4f961510fad233ef19b9e11e9fb8e [0,2,0,0,0,0|2,0,0]=4 9383 B13R0.21 CCCC(=O)OCNCCS(=O)(=O)C f0d1b70b87d5dbdc2ece6ca43dd42c1e [0,2,0,0,0,0|2,0,0]=4 9384 B13R0.21 CCCC(=O)OCOCCC(C)(C)C 14243d4392dae0338fc7ee909c1dfcbe [0,2,0,0,0,0|1,0,0]=3 9385 B13R0.21 CCCC(=O)OCOCCC(C)(C)S 45a8fc5e81f16be4882b63db060de4bb [0,2,0,0,0,0|1,0,0]=3 9386 B13R0.21 CCCC(=O)OCOCCC(C)(F)F efe76751590b37f4d980a5d103b32b03 [0,2,0,0,0,0|1,0,0]=3 9387 B13R0.21 CCCC(=O)OCOCCC(F)(F)F a4ee70f8572e8594e4e345a0fc215cc7 [0,2,0,0,0,0|2,0,0]=4 9388 B13R0.21 CCCC(=S)OCCCCC(F)(F)F 5fc6de5ed015318055795bbef2e90434 [0,2,0,0,0,0|1,1,0]=4 9389 B13R0.21 CCCC(=S)OCCCCS(=O)(=O)C 583f103b5d845fed345593ea5d9f1a2d [0,2,0,0,0,0|1,1,0]=4 9390 B13R0.21 CCCC(=S)OCCCSC(C)(C)C b1198009d093472707ef9fd480dd7260 [0,2,0,0,0,0|1,1,0]=4 9391 B13R0.21 CCCC(C)OCCCCC(C)(C)C bc79b4d22fd7f14442561ce5f4101a09 [0,2,0,0,0,0|1,0,1]=4 9392 B13R0.21 CCOC(=O)OCNCCC(C)(C)C 0c1d2a7d0c56c03d15e096e85db7a0fe [0,2,0,0,0,0|2,0,0]=4 9393 B13R0.21 CCOC(=O)OCNCCC(C)(C)F 55adc8ec28fd7da5afc03fe6d77f586d [0,2,0,0,0,0|2,0,0]=4 9394 B13R0.21 CCOC(=O)OCNCCC(C)(C)O df89fc0c459a2e05bca6dc0c42add6b6 [0,2,0,0,0,0|2,0,0]=4 9395 B13R0.21 CCOC(=O)OCOCCC(C)(C)C c9f3bdf5b64fa56aa8b929bc06096fa0 [0,2,0,0,0,0|2,0,0]=4 9396 B13R0.21 CCOC(=O)OCOCCC(C)(C)S 66ce31513f20361e4ae07a2cc07492fd [0,2,0,0,0,0|2,0,0]=4 9397 B13R0.21 CCOC(=O)OCOCCC(C)(F)F 96c8cc3ac055041de1b270cf10752b80 [0,2,0,0,0,0|2,0,0]=4 9398 B13R0.21 CCSC(=O)OCNCCC(C)(C)C 1d2811811366e59adfacafbd88d292bc [0,2,0,0,0,0|2,0,0]=4 9399 B13R0.21 CCSC(=O)OCNCCC(C)(C)F ac91d793f443e5a73291f3bd797d5a37 [0,2,0,0,0,0|2,0,0]=4 9400 B13R0.21 CCSC(=O)OCNCCC(C)(C)O 7febe4e6f88a3ae6e75dd8d7bb8063ab [0,2,0,0,0,0|2,0,0]=4 9401 B13R0.21 CCSC(=O)OCOCCC(C)(C)C 6b99f8716bff8c2d385fcf23c922a5d8 [0,2,0,0,0,0|2,0,0]=4 9402 B13R0.21 CCSC(=O)OCOCCC(C)(C)S 3baf5ac02905ff11bcf8ca29c73f3989 [0,2,0,0,0,0|2,0,0]=4 9403 B13R0.21 CCSC(=O)OCOCCC(C)(F)F ef94881cd25c345d3d778a551a61926a [0,2,0,0,0,0|2,0,0]=4 9404 B13R0.1523 CCCC(=O)CNCC(C)(O)CCC fa99408dc398a7c7f1b72dfd6b03de1a [0,2,0,0,0,0|2,0,0]=4 9405 B13R0.1523 CCCC(=O)OCNC(C)(C)CCO d16a55a9dc73f3a7cb1b930fdb6bb2de [0,2,0,0,0,0|2,0,0]=4 9406 B13R0.1523 CCCC(=O)OCNC(C)(C)CSC 2e88b097dbdb225441aefb903a7d6dca [0,2,0,0,0,0|2,0,0]=4 9407 B13R0.1523 CCCC(C)OCCC(C)(S)CCC 7f2e975456275b2c9dcb543bf8d46860 [0,2,0,0,0,0|1,0,1]=4 9408 B11R1.4 CCCCCOC1CCCC1 ea0afe80da6af9a482238c7c0011138f [1,0,0,1,0,0|1,0,1]=4 9409 B11R1.4 CCCCCOC1CCCO1 4fcbb7f6db51b6632373c914ef3e210b [1,0,0,1,0,0|0,0,2]=4 9410 B11R1.16 CCCC(=O)N1CCCOC1 ec430687532180d82dc554432bc34e4e [1,0,0,1,0,0|2,0,0]=4 9411 B11R1.16 CCCC(=O)N1CCCSC1 4546a0e84c067d299c523d566e3c9375 [1,0,0,1,0,0|2,0,0]=4 9412 B11R1.16 CCCC(=O)N1CCOCC1 d2d1c1e937c47cbf76edf1360365ca7e [1,0,0,1,0,0|2,0,0]=4 9413 B11R1.16 CCCC(=O)N1CCSCC1 d071db11318b039576c8161f62ed50b9 [1,0,0,1,0,0|2,0,0]=4 9414 B11R1.16 CCCN(C)C1CCCCC1 dc9b450f6dc175a73509aa0b43ac0971 [1,0,0,1,0,0|2,0,0]=4 9415 B11R1.24 CCCCN1CCCC(=O)C1 ab5d5aa4c692d5c921210400e463a35c [1,0,0,1,0,0|1,0,0]=3 9416 B11R1.24 CCCCN1CCNC(=O)C1 c67c01d1a07bdda5d18b7096d1b290cd [1,0,0,1,0,0|2,0,0]=4 9417 B11R1.24 CCCCN1CCOC(=O)C1 3f4af70ed351ba7dae5c4daa38dbbec5 [1,0,0,1,0,0|2,0,0]=4 9418 B11R1.24 CCCNC1CCCC(=O)C1 f78a901451b50e451bf018305d12a0cc [1,0,0,1,0,0|1,0,0]=3 9419 B11R1.24 CCCNC1CCNC(=O)C1 ff447769b3400ca9cfacfb0d558a8376 [1,0,0,1,0,0|2,0,0]=4 9420 B11R1.24 CCCN[C@@H]1CCNC(=O)C1 aa286dce50ef181bcbf1d9471bf48bde [1,0,0,1,0,0|2,0,0]=4 9421 B11R1.24 CCCN[C@H]1CCNC(=O)C1 5f93ac4d81551bd3f26157e304a8d35a [1,0,0,1,0,0|2,0,0]=4 9422 B11R1.24 CCCOC1CCCC(=O)C1 3a62b9596446c853f594c7714567c6fa [1,0,0,1,0,0|1,0,0]=3 9423 B11R1.24 CCCOC1CCNC(=O)C1 65105623f5191c21e4a7be8acdaca72e [1,0,0,1,0,0|2,0,0]=4 9424 B11R1.24 CCCO[C@@H]1CCNC(=O)C1 5bf264179db23a8df067b0bd13e7f763 [1,0,0,1,0,0|2,0,0]=4 9425 B11R1.24 CCCO[C@H]1CCNC(=O)C1 60cfa443462ad68a1346c33be32ed63f [1,0,0,1,0,0|2,0,0]=4 9426 B11R1.24 CCNCC1CCCC(=O)N1 245951673b534df0bf27d890092fcdeb [1,0,0,1,0,0|2,0,0]=4 9427 B11R1.24 CCNCC1CCNC(=O)C1 c3ba1d2c37b362a2a269506588505c2c [1,0,0,1,0,0|2,0,0]=4 9428 B11R1.24 CCOCC1CCCC(=O)C1 59f3485ad485a6e1d97c966f04f592f9 [1,0,0,1,0,0|1,0,0]=3 9429 B11R1.24 CCOCC1CCCC(=O)N1 ae7b22866fb52b162e0bd2153c57f3fa [1,0,0,1,0,0|2,0,0]=4 9430 B11R1.24 CCOCC1CCNC(=O)C1 dfdbdc0d66883705877010ad07aa3ee3 [1,0,0,1,0,0|2,0,0]=4 9431 B11R1.24 CCOCN1CCCC(=O)C1 67340f90abd6e7e3540fa8a66f5619c6 [1,0,0,1,0,0|2,0,0]=4 9432 B11R1.24 CCOC[C@@H]1CCCC(=O)N1 e702e00726367338ffd611c3a76033db [1,0,0,1,0,0|2,0,0]=4 9433 B11R1.24 CCOC[C@H]1CCCC(=O)N1 aad994c462d12f350a0479fdd23025c1 [1,0,0,1,0,0|2,0,0]=4 9434 B11R1.24 COCCN1CCCC(=O)C1 527a8c86725352137b2341559fe7f2dd [1,0,0,1,0,0|2,0,0]=4 9435 B11R1.24 COCOC1CCCC(=O)C1 f76735a0929d686795f1aa3f5f2f0167 [1,0,0,1,0,0|2,0,0]=4 9436 B11R1.24 CSCCN1CCCC(=O)C1 c4813bf7b71fb0a99baee0da0e4bc718 [1,0,0,1,0,0|2,0,0]=4 9437 B11R1.24 CSCOC1CCCC(=O)C1 4042f0cd5c9b2d5f415ee6628ac15295 [1,0,0,1,0,0|2,0,0]=4 9438 B11R1.24 O=C1CCCC(C1)COCF 11cafa08057b406bf6693799f7f4707d [1,0,0,1,0,0|2,0,0]=4 9439 B11R1.24 O=C1CCCC(C1)NCCBr f138dadc821c48e193c3577f29a08fe7 [1,0,0,1,0,0|2,0,0]=4 9440 B11R1.24 O=C1CCCC(C1)NCCF 5de2cc1db08490251cc8d4a2a5b6bd70 [1,0,0,1,0,0|2,0,0]=4 9441 B11R1.24 O=C1CCCC(C1)NCCI 63e170c3d3eb83f83e779f95ae1c7eee [1,0,0,1,0,0|2,0,0]=4 9442 B11R1.24 O=C1CCCC(C1)NCCO d99d47cab45c27d8095c6db03bb9e2ef [1,0,0,1,0,0|2,0,0]=4 9443 B11R1.24 O=C1CCCC(C1)NCCS 6a6636e940a94c28e7403354d5b17ebf [1,0,0,1,0,0|2,0,0]=4 9444 B11R1.24 O=C1CCCC(C1)OCCF 7d9b97cf25a585eeaeaeb9cf225eb6fe [1,0,0,1,0,0|2,0,0]=4 9445 B11R1.24 O=C1CCCC(C1)OCCS 24c64eb171cd6b0d2d85cd0c6615fda5 [1,0,0,1,0,0|2,0,0]=4 9446 B11R1.24 O=C1CCCN(C1)CCCF 3605742ddbee7daa92cb15a9b424be62 [1,0,0,1,0,0|2,0,0]=4 9447 B11R1.24 O=C1CCCN(C1)CCCO e7e21adb0f0315469f22431e1b72db87 [1,0,0,1,0,0|2,0,0]=4 9448 B11R1.24 O=C1CCCN(C1)CCCS f7933a56b28363f53c3289805c628664 [1,0,0,1,0,0|2,0,0]=4 9449 B11R1.30 CCCC(=O)CN1CCSC1 d666781cfb83921834024b60d35d4764 [1,0,0,1,0,0|2,0,0]=4 9450 B11R1.30 CCCC(=O)NC1CCCC1 da3e432756375bd4b968b22985d71611 [1,0,0,1,0,0|1,0,0]=3 9451 B11R1.30 CCCC(=O)NC1CCOC1 6d331d9781879e4b48434b0e8b576170 [1,0,0,1,0,0|2,0,0]=4 9452 B11R1.30 CCCC(=O)NC1CCSC1 2d25a963fd9d83516c8cac9edd96e4d8 [1,0,0,1,0,0|2,0,0]=4 9453 B11R1.30 CCCC(=O)N[C@@H]1CCOC1 f49cb770913ed6e346c4aff217835a73 [1,0,0,1,0,0|2,0,0]=4 9454 B11R1.30 CCCC(=O)N[C@H]1CCOC1 385ec125cda2ad30eaa19ebd258dbb87 [1,0,0,1,0,0|2,0,0]=4 9455 B11R1.30 CCCC(=S)OC1CCCC1 3fd313e1df11825f4da5dd94540b07d3 [1,0,0,1,0,0|0,1,0]=3 9456 B11R1.30 CCCC(=S)OC1CCOC1 4eec54338eab2f8eb6a852d05c48767a [1,0,0,1,0,0|1,1,0]=4 9457 B11R1.30 CCCC(=S)O[C@@H]1CCOC1 ca7196059c240afe783d033ec46c6d9a [1,0,0,1,0,0|1,1,0]=4 9458 B11R1.30 CCCC(=S)O[C@H]1CCOC1 e9dd96c0f040e60cefa56cb3ba6a8e16 [1,0,0,1,0,0|1,1,0]=4 9459 B11R1.30 CCCC(C)OC1CCCC1 74829b38cc4212c94f869733ee9ca792 [1,0,0,1,0,0|1,0,1]=4 9460 B11R1.30 CCCN(C)CC1CCCC1 323070019a1116d31085b4a954c9d087 [1,0,0,1,0,0|2,0,0]=4 9461 B11R1.30 CCC[C@@H](C)OC1CCCC1 7696ffb726c8ebc9aa425bb1f2907f81 [1,0,0,1,0,0|1,0,1]=4 9462 B11R1.30 CCC[C@H](C)OC1CCCC1 6ed06a1466652ef732d27c0a6f69b351 [1,0,0,1,0,0|1,0,1]=4 9463 B11R1.30 COCC(=O)NC1CCCC1 5835012e7a0751c1e9f4de34bde6fe10 [1,0,0,1,0,0|2,0,0]=4 9464 B11R1.30 CSCC(=O)NC1CCCC1 28eabd4b7d70c5a5d8b2150e8b8acadc [1,0,0,1,0,0|2,0,0]=4 9465 B11R1.30 O=C(CCF)NC1CCCC1 59a8dd2971ff27ece09890df755fe60f [1,0,0,1,0,0|2,0,0]=4 9466 B11R1.30 O=C(CCO)NC1CCCC1 0b9dec26bcbc4d9b1821e86f8e5668f8 [1,0,0,1,0,0|2,0,0]=4 9467 B11R1.30 O=C(CCS)NC1CCCC1 172bb0491760dad3c5d40b3636f6dd47 [1,0,0,1,0,0|2,0,0]=4 9468 B11R1.78 CCCCCOC1CC(C1)C feffc5ca8a4e0a842a51106c8a8f9124 [1,0,0,1,0,0|1,0,1]=4 9469 B11R1.81 CC1CC(=O)CCC1OCF d917c16e0249ffcb4f9513960c0412b6 [1,0,0,1,0,0|2,0,0]=4 9470 B11R1.81 CCOC1CCC(=O)CC1C bbd05b28fe91bed54594e6c907dba246 [1,0,0,1,0,0|1,0,0]=3 9471 B11R1.81 CCOC1CCC(=O)NC1C af63b6d32a082765385d535da13c8b79 [1,0,0,1,0,0|2,0,0]=4 9472 B11R1.117 CCCN1CCCCCCC1 328dcd98ace70168763c8b5439e5b7fa [1,0,0,1,0,0|2,0,0]=4 9473 B11R1.127 CCCC1CCN(C1)CCC 95ef48d9e03e38a1751852d34b8a2ceb [1,0,0,1,0,0|2,0,0]=4 9474 B11R1.135 CCCN1CCCC(=O)CC1 5d78a27b1115d294c02accd204f79118 [1,0,0,1,0,0|1,0,0]=3 9475 B11R1.135 CCCN1CCNC(=O)CC1 48ce520870f98876c5e1e95b092620e1 [1,0,0,1,0,0|2,0,0]=4 9476 B11R1.135 CCOC1CCCC(=O)NC1 4189d64438fb7860c330be2892be390d [1,0,0,1,0,0|2,0,0]=4 9477 B11R1.135 COCN1CCCC(=O)CC1 ea3e86884637135ed0588affa1098e54 [1,0,0,1,0,0|2,0,0]=4 9478 B11R1.135 CSCN1CCCC(=O)CC1 6435d5f48c5cd7a65e342478e9fb4a7d [1,0,0,1,0,0|2,0,0]=4 9479 B11R1.135 O=C1CCCN(CC1)CCF 61d66a1a4f1d82669ade6697ca43e279 [1,0,0,1,0,0|2,0,0]=4 9480 B11R1.135 O=C1CCCN(CC1)CCO b4a404177f191c32df318444d301e880 [1,0,0,1,0,0|2,0,0]=4 9481 B11R1.135 O=C1CCCN(CC1)CCS e1272476299b4b5b95ae91e5c326b396 [1,0,0,1,0,0|2,0,0]=4 9482 B11R1.180 CCCCNC1CCCC1=O 39f9ee5b59b883e97393975a970e10d4 [1,0,0,1,0,0|1,0,0]=3 9483 B11R1.180 CCCCNC1CCNC1=O 186446e8bc07c208cf0e9b58e44f01e8 [1,0,0,1,0,0|2,0,0]=4 9484 B11R1.180 CCCCNC1CCSC1=O 02e0fc8efcfe3b3711a069b87645d9fa [1,0,0,1,0,0|2,0,0]=4 9485 B11R1.180 CCCCN[C@@H]1CCNC1=O 6e0f44241d58997cb1c6d0051eab8a32 [1,0,0,1,0,0|2,0,0]=4 9486 B11R1.180 CCCCN[C@@H]1CCOC1=O ed0730bf918a90319664293109727836 [1,0,0,1,0,0|2,0,0]=4 9487 B11R1.180 CCCCN[C@H]1CCNC1=O 66b10e76c34af5d0dab45f88e932d111 [1,0,0,1,0,0|2,0,0]=4 9488 B11R1.180 CCCCN[C@H]1CCOC1=O bc1ff4fc4b1cbd2b8e734ea1a24a3145 [1,0,0,1,0,0|2,0,0]=4 9489 B11R1.180 CCCCOC1CCCC1=O daa71a749c8ab0736df54ca1e1a12aa6 [1,0,0,1,0,0|1,0,0]=3 9490 B11R1.180 CCCCOC1CCNC1=O 7b231c5ea57dcbc2aa7adddae086cda9 [1,0,0,1,0,0|2,0,0]=4 9491 B11R1.180 CCCCOC1CCOC1=O 6b1a411a75446402594aca66d981812a [1,0,0,1,0,0|2,0,0]=4 9492 B11R1.180 CCCCO[C@@H]1CCNC1=O cb2fa50a05ea794d6edb8e207c80ecd5 [1,0,0,1,0,0|2,0,0]=4 9493 B11R1.180 CCCCO[C@@H]1CCOC1=O 7f089f9be002c56d4ed21d2753984a9f [1,0,0,1,0,0|2,0,0]=4 9494 B11R1.180 CCCCO[C@H]1CCNC1=O 8cbf41402c4456eeb8d0823b203c93b8 [1,0,0,1,0,0|2,0,0]=4 9495 B11R1.180 CCCCO[C@H]1CCOC1=O 3b100f447983d8c65cd8accc2947ac67 [1,0,0,1,0,0|2,0,0]=4 9496 B11R1.180 CCCNCC1CCNC1=O 6f43743b2b4651249ecb698013e60338 [1,0,0,1,0,0|2,0,0]=4 9497 B11R1.180 CCCNCN1CCCC1=O 91887f1bd955350d83fb5cbd80ecb1f5 [1,0,0,1,0,0|2,0,0]=4 9498 B11R1.180 CCCOCC1CCCC1=O 38a6f11d54d34dd53e14f1182522173f [1,0,0,1,0,0|1,0,0]=3 9499 B11R1.180 CCCOCC1CCNC1=O a7890dcd6183c9752ec22ee8c72e0b2a [1,0,0,1,0,0|2,0,0]=4 9500 B11R1.180 CCCOCN1CCCC1=O f219657cc4d06050eaec73ad23ed676b [1,0,0,1,0,0|2,0,0]=4 9501 B11R1.180 CCNCCN1CCCC1=O 36a7b721f69f8b18b7bc5858c5b90e81 [1,0,0,1,0,0|2,0,0]=4 9502 B11R1.180 CCOCCC1CCNC1=O 691ba5da473129ccf331160f91db89fc [1,0,0,1,0,0|2,0,0]=4 9503 B11R1.180 CCOCCN1CCCC1=O eec83e50d5d1cf07c9841640aebd1ba4 [1,0,0,1,0,0|2,0,0]=4 9504 B11R1.180 COCCNC1CCCC1=O e3affe8a2fb4830ec43073ed366123f7 [1,0,0,1,0,0|2,0,0]=4 9505 B11R1.180 COCCOC1CCCC1=O 64d6773d3f7f907b500ddffb29b8e5c9 [1,0,0,1,0,0|2,0,0]=4 9506 B11R1.180 COCOCC1CCCC1=O 99747fc986fb155c7c97d45d40f3a523 [1,0,0,1,0,0|2,0,0]=4 9507 B11R1.180 CSCCNC1CCCC1=O 1a918986e443973b93dcff5ab8488238 [1,0,0,1,0,0|2,0,0]=4 9508 B11R1.180 CSCCOC1CCCC1=O 3cf11c06e2768f681e866c19a4bfc663 [1,0,0,1,0,0|2,0,0]=4 9509 B11R1.180 CSCOCC1CCCC1=O 283bbcbffcad0dc5983c554947b2b571 [1,0,0,1,0,0|2,0,0]=4 9510 B11R1.180 O=C1CCCC1COCCF 83d5df4865750a49009feacdd6fce70e [1,0,0,1,0,0|2,0,0]=4 9511 B11R1.180 O=C1CCCC1COCCS ce0277165bc2576a887b2890f98c1bf3 [1,0,0,1,0,0|2,0,0]=4 9512 B11R1.180 O=C1CCCC1NCCCCl 0d7b77a3647043b5308b9e03b03208f4 [1,0,0,1,0,0|2,0,0]=4 9513 B11R1.180 O=C1CCCC1NCCCO 8deb1c83ab53c1e6f1beb704839da63c [1,0,0,1,0,0|2,0,0]=4 9514 B11R1.180 O=C1CCCC1OCCCF 0cb91a01e38d73789f9e0851f5649a66 [1,0,0,1,0,0|2,0,0]=4 9515 B11R1.180 O=C1CCCC1OCCCS 5063541bc88a8e8fb7070e9c4a3cf1f4 [1,0,0,1,0,0|2,0,0]=4 9516 B11R1.189 CCCN1CCCC(C1)CC 7000f55ce558ff303a5b7d907381fc87 [1,0,0,1,0,0|2,0,0]=4 9517 B11R1.199 CC1CCCN1C(=O)CCF 5da16c66b5e991e11d9fd23d9df0e092 [1,0,0,1,0,0|2,0,0]=4 9518 B11R1.199 CC1CCCN1C(=O)CCO 69308c7ab0755ea5dbf3dceae75d4ebf [1,0,0,1,0,0|2,0,0]=4 9519 B11R1.199 CC1CCCN1C(=O)CCS 307289f79a5a6d43807549d51e8fb533 [1,0,0,1,0,0|2,0,0]=4 9520 B11R1.199 CCCC(=O)N1CCCC1C 8c24dc4b9058c88c58f6be94f5bfa8dc [1,0,0,1,0,0|1,0,0]=3 9521 B11R1.199 CCCC(=O)N1CCCC1O f798f8b171a5ce26ee955f43ee4bb5a1 [1,0,0,1,0,0|2,0,0]=4 9522 B11R1.199 CCCC(=O)N1CCC[C@@H]1C 87bbbddbc09dd6f86d6c8e25df54a80d [1,0,0,1,0,0|1,0,0]=3 9523 B11R1.199 CCCC(=O)N1CCC[C@H]1C 1bc4022f596909465ba443478f45a3f5 [1,0,0,1,0,0|1,0,0]=3 9524 B11R1.199 CCCC(=O)N1CCSC1C f5421b9567498e6bfdf6930e25bd26df [1,0,0,1,0,0|2,0,0]=4 9525 B11R1.199 COCC(=O)N1CCCC1C e20c95f110b32cec2ac5aa22ad780973 [1,0,0,1,0,0|2,0,0]=4 9526 B11R1.199 COCC(=O)N1CCC[C@@H]1C 656c04ef41bb4f3e171d00cb0a37850c [1,0,0,1,0,0|2,0,0]=4 9527 B11R1.199 COCC(=O)N1CCC[C@H]1C 42efaa660a0b7c28f47089e88ed8b467 [1,0,0,1,0,0|2,0,0]=4 9528 B11R1.199 CSCC(=O)N1CCCC1C 6e82204c0631ef6055f59888fd6d759e [1,0,0,1,0,0|2,0,0]=4 9529 B11R1.199 CSCC(=O)N1CCC[C@@H]1C 46f8060b4a0e39c53c79568d06366c23 [1,0,0,1,0,0|2,0,0]=4 9530 B11R1.199 CSCC(=O)N1CCC[C@H]1C dd48c89c63f994acfe4aeb382f2aea03 [1,0,0,1,0,0|2,0,0]=4 9531 B11R1.199 C[C@@H]1CCCN1C(=O)CCF 87cc3653a38bebb12f225251d74a4a85 [1,0,0,1,0,0|2,0,0]=4 9532 B11R1.199 C[C@@H]1CCCN1C(=O)CCO f06c6c274b60dc86e0540f1b430e334c [1,0,0,1,0,0|2,0,0]=4 9533 B11R1.199 C[C@@H]1CCCN1C(=O)CCS 705dc4d13766ae0d75f10a458266515c [1,0,0,1,0,0|2,0,0]=4 9534 B11R1.199 C[C@H]1CCCN1C(=O)CCF 216ee158aebd20065a356d1c1d242ea9 [1,0,0,1,0,0|2,0,0]=4 9535 B11R1.199 C[C@H]1CCCN1C(=O)CCO f759277c1380bf9958a0f034c75a9bbe [1,0,0,1,0,0|2,0,0]=4 9536 B11R1.199 C[C@H]1CCCN1C(=O)CCS c472e58e8953583b4d05e6b8b3a47641 [1,0,0,1,0,0|2,0,0]=4 9537 B11R1.200 CCC1CCN1C(=O)CCF 09527cdc2846ac01d9d3ee834d4ae948 [1,0,0,1,0,0|2,0,0]=4 9538 B11R1.200 CCC1CCN1C(=O)CCO 07ef660bed64c56329fedc7ef04e5b98 [1,0,0,1,0,0|2,0,0]=4 9539 B11R1.200 CCC1CCN1C(=O)CCS 775ed7aee33ae2433276906f80ee815b [1,0,0,1,0,0|2,0,0]=4 9540 B11R1.200 CCC1CCN1C(=O)COC 0c4afe18effca646eec930ac48e95601 [1,0,0,1,0,0|2,0,0]=4 9541 B11R1.200 CCC1CCN1C(=O)CSC eaa999d4dc1cdedd52214e8fb21d26db [1,0,0,1,0,0|2,0,0]=4 9542 B11R1.200 CCCC(=O)N1CCC1CC 1463a3076dd4a4f8cdaa143f1b5367da [1,0,0,1,0,0|1,0,0]=3 9543 B11R1.200 CCCC(=O)N1CCC1CO 14ee830ba94efa17ec17f5d2462431d2 [1,0,0,1,0,0|2,0,0]=4 9544 B11R1.200 CCCC(=O)N1CC[C@@H]1CO 72a493cad1778ecc4f87be508c5dbdd3 [1,0,0,1,0,0|2,0,0]=4 9545 B11R1.200 CCCC(=O)N1CC[C@H]1CO 9c62ae305c971a386c5171a61d739321 [1,0,0,1,0,0|2,0,0]=4 9546 B11R1.202 CCCC(=O)N[C@@H]1C[C@@H]1OC 74cb76695f2d1797484cd2f9a97a4a78 [1,0,0,1,0,0|2,0,0]=4 9547 B11R1.202 CCCC(=O)N[C@@H]1C[C@H]1CO ef95820307b71eed658a1f13787377a6 [1,0,0,1,0,0|2,0,0]=4 9548 B11R1.202 CCCC(=O)N[C@H]1C[C@@H]1CO d41a9b9daba582e0da34d8d3e5e6e980 [1,0,0,1,0,0|2,0,0]=4 9549 B11R1.202 CCCC(=O)N[C@H]1C[C@H]1CO 0328e2c7b8d50aeccc5899c53c38deec [1,0,0,1,0,0|2,0,0]=4 9550 B11R1.230 CC1CC(=O)OC1OCCF 6d88b68cc75b62f1c1069eff46319bd4 [1,0,0,1,0,0|2,0,0]=4 9551 B11R1.230 CC1CC(=O)OC1OCCS 4a28be4c52a241bcb511c33869eb53c8 [1,0,0,1,0,0|2,0,0]=4 9552 B11R1.230 CCCOC1CC(=O)NC1C c5c406f203ed81ae39e47ce40a0e031c [1,0,0,1,0,0|2,0,0]=4 9553 B11R1.230 CCCOC1OC(=O)CC1C f8b98e79aad2fd39ea3dc6c840dbd841 [1,0,0,1,0,0|1,0,0]=3 9554 B11R1.230 CCCO[C@H]1CC(=O)N[C@H]1C ca5a204547cca2003339d3c4c033a35c [1,0,0,1,0,0|2,0,0]=4 9555 B11R1.230 COCOC1OC(=O)CC1C 8939c8aa6aadfb3f4dad144b67803300 [1,0,0,1,0,0|2,0,0]=4 9556 B11R1.230 CSCOC1OC(=O)CC1C d07771cbf061d1ff45aafaf14f23160f [1,0,0,1,0,0|2,0,0]=4 9557 B11R1.265 CCC1C(=O)NCCN1CC 20cad01c24a6fd6c6dca4bb23ec63051 [1,0,0,1,0,0|2,0,0]=4 9558 B11R1.288 CCCC(=O)CNC1CC1C d954e2b207b1ef78587a602b0d1ee90f [1,0,0,1,0,0|1,0,0]=3 9559 B11R1.288 CCCC(=O)CN[C@@H]1C[C@H]1F 7e8349922730550a38630d344f1893e3 [1,0,0,1,0,0|2,0,0]=4 9560 B11R1.288 CCCC(=O)CN[C@H]1C[C@@H]1F a239e36245d8fce58d6a8f5966821a22 [1,0,0,1,0,0|2,0,0]=4 9561 B11R1.288 CCCC(=O)CN[C@H]1C[C@H]1F 1868a725d2bc40eb8793180b67b77eef [1,0,0,1,0,0|2,0,0]=4 9562 B11R1.288 CCCC(C)OCC1CC1C b7d6be90d0fd80a395dff94ee002ad53 [1,0,0,1,0,0|1,0,1]=4 9563 B11R1.288 CCCC(C)OC[C@@H]1C[C@@H]1C 35939abaf7804555fbdf71cee6d425d2 [1,0,0,1,0,0|1,0,1]=4 9564 B11R1.288 CCCC(C)OC[C@@H]1C[C@H]1C 60e6e9e76d277c9ae35a1651b7b06f90 [1,0,0,1,0,0|1,0,1]=4 9565 B11R1.288 CCCC(C)OC[C@H]1C[C@@H]1C b256b9f5c4cf829cbf2282649c33bbcd [1,0,0,1,0,0|1,0,1]=4 9566 B11R1.288 CCNC(=O)CNC1CC1C a172f2d344a2f072a18873a2d5e03621 [1,0,0,1,0,0|2,0,0]=4 9567 B11R1.288 CCOC(=O)CNC1CC1C 22d926c339c99ce24ba81845aa6f8d65 [1,0,0,1,0,0|2,0,0]=4 9568 B11R1.288 COCC(=O)CNC1CC1C a59fea765789c12f9cc32ee143fa7afe [1,0,0,1,0,0|2,0,0]=4 9569 B11R1.289 CCCC(=O)CNC1CCC1 0a027979d7e0dc7f8a13d9142e42d7a3 [1,0,0,1,0,0|1,0,0]=3 9570 B11R1.289 CCCC(=O)CNC1COC1 d7efb50be139cb2749b87a68eb1c2be6 [1,0,0,1,0,0|2,0,0]=4 9571 B11R1.289 CCCC(=O)COC1CCC1 44522e1d7d14576fcecac67218dbbfb2 [1,0,0,1,0,0|1,0,0]=3 9572 B11R1.289 CCCC(=O)COC1COC1 edf8089c6db7db1ed303dc4af1379b02 [1,0,0,1,0,0|2,0,0]=4 9573 B11R1.289 CCCC(=O)COC1CSC1 7500cf8c4cb32a53bacc792f8391104a [1,0,0,1,0,0|2,0,0]=4 9574 B11R1.289 CCCC(=O)NCC1CCC1 5b5629fcb62edf562f55605727998243 [1,0,0,1,0,0|1,0,0]=3 9575 B11R1.289 CCCC(=O)NCC1CCO1 c88cd3184f6f7df2e7d195783849ec29 [1,0,0,1,0,0|2,0,0]=4 9576 B11R1.289 CCCC(=O)NCC1COC1 8c7d8e7d6e0ff5c9b81378f621bcdb8c [1,0,0,1,0,0|2,0,0]=4 9577 B11R1.289 CCCC(=O)NC[C@@H]1CCO1 6ebf05f92fe3c48e393397e70ae0299f [1,0,0,1,0,0|2,0,0]=4 9578 B11R1.289 CCCC(=O)NC[C@H]1CCO1 673ab8561ba0f9f686e4c23f9923819b [1,0,0,1,0,0|2,0,0]=4 9579 B11R1.289 CCCC(=O)OCN1CCC1 7349536bcaaf6321025597a599bb215a [1,0,0,1,0,0|1,0,0]=3 9580 B11R1.289 CCCC(=S)OCC1CCC1 cb7b37bc0b934052223a44a5747503af [1,0,0,1,0,0|0,1,0]=3 9581 B11R1.289 CCCC(=S)OCC1CCO1 023ba35ad3bb53d5767bdfdf7c02f931 [1,0,0,1,0,0|1,1,0]=4 9582 B11R1.289 CCCC(=S)OCC1COC1 8a84931f323fbfa3dac1f8acf45d0b39 [1,0,0,1,0,0|1,1,0]=4 9583 B11R1.289 CCCC(=S)OC[C@@H]1CCO1 09754b0a55fab1dbd7359797d250de45 [1,0,0,1,0,0|1,1,0]=4 9584 B11R1.289 CCCC(=S)OC[C@H]1CCO1 26f3ad0afb0eef31ce5bb553d2fc5db5 [1,0,0,1,0,0|1,1,0]=4 9585 B11R1.289 CCCC(C)OCC1CCC1 1d8c48dd62df9c51371993a06ea5d123 [1,0,0,1,0,0|1,0,1]=4 9586 B11R1.289 CCCN(C)CCC1CCC1 86e8e5d1b0f44d28eac666b9b60a9a21 [1,0,0,1,0,0|2,0,0]=4 9587 B11R1.289 CCC[C@@H](C)OCC1CCC1 00c9de97494c916ac5742d7905a149a2 [1,0,0,1,0,0|1,0,1]=4 9588 B11R1.289 CCC[C@H](C)OCC1CCC1 efe93e1795c996e65f94a70456d391e4 [1,0,0,1,0,0|1,0,1]=4 9589 B11R1.289 CCNC(=O)CCN1CCC1 885968a1ad271fc45253bacbded90f9a [1,0,0,1,0,0|2,0,0]=4 9590 B11R1.289 CCNC(=O)CNC1CCC1 7a5196f02f7e2814f39d1675c93441e3 [1,0,0,1,0,0|2,0,0]=4 9591 B11R1.289 CCNC(=O)COC1CCC1 7fef597923c8f47d7eebc4f2ebb4796b [1,0,0,1,0,0|2,0,0]=4 9592 B11R1.289 CCOC(=O)CNC1CCC1 1cd679d4045b00d64456d8178835dcbc [1,0,0,1,0,0|2,0,0]=4 9593 B11R1.289 CCOC(=O)COC1CCC1 d0887e2272bbe8eb1c33dd0cab0a9e49 [1,0,0,1,0,0|2,0,0]=4 9594 B11R1.289 CCOC(=O)OCN1CCC1 b4ba06c5be4a450f28ac2456685a0352 [1,0,0,1,0,0|2,0,0]=4 9595 B11R1.289 CCSC(=O)OCN1CCC1 d3abc7a4b7ec118f0fea98bd634cedbc [1,0,0,1,0,0|2,0,0]=4 9596 B11R1.289 COCC(=O)CNC1CCC1 cd4e20785b5a2ae96480f8f1954b3bb7 [1,0,0,1,0,0|2,0,0]=4 9597 B11R1.289 COCC(=O)COC1CCC1 8df271acb42091b390deaf136f543eeb [1,0,0,1,0,0|2,0,0]=4 9598 B11R1.289 COCC(=O)NCC1CCC1 86b57a680b488a69d3083da1998befd3 [1,0,0,1,0,0|2,0,0]=4 9599 B11R1.289 CSCC(=O)NCC1CCC1 9a7df6e00fdc16b86c1fb9a63b2707d6 [1,0,0,1,0,0|2,0,0]=4 9600 B11R1.289 O=C(CCF)NCC1CCC1 bca3155db107b87329f534d87492db5a [1,0,0,1,0,0|2,0,0]=4 9601 B11R1.289 O=C(CCO)NCC1CCC1 d95457829de025432eb08e1c586d06bc [1,0,0,1,0,0|2,0,0]=4 9602 B11R1.289 O=C(CCS)NCC1CCC1 fad23bfd302e09ca569e288772e49946 [1,0,0,1,0,0|2,0,0]=4 9603 B11R1.290 CCCC(=O)CNCC1CC1 6af81ad12afd538d9fdc8f756ba3946d [1,0,0,1,0,0|1,0,0]=3 9604 B11R1.290 CCCC(=O)COCC1CC1 c36fc0342e9c020aa8512dfa45b81e70 [1,0,0,1,0,0|1,0,0]=3 9605 B11R1.290 CCCC(=O)NCCC1CC1 c432eda3bdde520848213d9a422afe00 [1,0,0,1,0,0|1,0,0]=3 9606 B11R1.290 CCCC(=O)NCCN1CC1 f67979bc0ed19ec538b5db02d3ec2712 [1,0,0,1,0,0|2,0,0]=4 9607 B11R1.290 CCCC(=O)OCNC1CC1 43fcec24fbfef50b224d0e27d37f28b1 [1,0,0,1,0,0|1,0,0]=3 9608 B11R1.290 CCCC(=O)OCOC1CC1 c2019d33dbebb658ce4dcad4e0c27779 [1,0,0,1,0,0|1,0,0]=3 9609 B11R1.290 CCCC(=S)OCCC1CC1 0fd9250a483414aeb9c9fab23588cdf9 [1,0,0,1,0,0|0,1,0]=3 9610 B11R1.290 CCCC(C)OCCC1CC1 399fd5a95cac2db30ed09cdf67c183f5 [1,0,0,1,0,0|1,0,1]=4 9611 B11R1.290 CCC[C@@H](C)OCCC1CC1 594941d080d8074ccdbfbc5fd73c9d01 [1,0,0,1,0,0|1,0,1]=4 9612 B11R1.290 CCC[C@H](C)OCCC1CC1 0cde0ecda1427c9a121febef46c72481 [1,0,0,1,0,0|1,0,1]=4 9613 B11R1.290 CCNC(=O)CCNC1CC1 30239c8c8e9768f8be23a01bace5e494 [1,0,0,1,0,0|2,0,0]=4 9614 B11R1.290 CCNC(=O)CCOC1CC1 d6419b71a0cedc410718a606c23d8709 [1,0,0,1,0,0|2,0,0]=4 9615 B11R1.290 CCNC(=O)CNCC1CC1 f037e2264483c7b40986b3ecb037bc99 [1,0,0,1,0,0|2,0,0]=4 9616 B11R1.290 CCNC(=O)COCC1CC1 992243b156555a035d355dceeef79ae4 [1,0,0,1,0,0|2,0,0]=4 9617 B11R1.290 CCOC(=O)CCNC1CC1 7ae5e275187e0c18246e66f2bc7a753a [1,0,0,1,0,0|2,0,0]=4 9618 B11R1.290 CCOC(=O)CCOC1CC1 af8bebc034c959f0e8580db2fdba9e76 [1,0,0,1,0,0|2,0,0]=4 9619 B11R1.290 CCOC(=O)CNCC1CC1 79d5db5ae52ac1e153ab3beb3e8f393d [1,0,0,1,0,0|2,0,0]=4 9620 B11R1.290 CCOC(=O)COCC1CC1 7982bcf3144c0e34c33add663bbf7f17 [1,0,0,1,0,0|2,0,0]=4 9621 B11R1.290 CCOC(=O)OCNC1CC1 ef53ecb73156aa2eb7ca96ec650039f9 [1,0,0,1,0,0|2,0,0]=4 9622 B11R1.290 CCOC(=O)OCOC1CC1 778b92d3efd30382ac17d2660ddf3511 [1,0,0,1,0,0|2,0,0]=4 9623 B11R1.290 CCSC(=O)OCNC1CC1 5780f36062089e1d3894d650e5f65877 [1,0,0,1,0,0|2,0,0]=4 9624 B11R1.290 CCSC(=O)OCOC1CC1 b2c3e1ace4113f8ec4910ddf9997011c [1,0,0,1,0,0|2,0,0]=4 9625 B11R1.290 COCC(=O)CNCC1CC1 872d9964d0adbf4085efb8e847d5def0 [1,0,0,1,0,0|2,0,0]=4 9626 B11R1.290 COCC(=O)COCC1CC1 a141c8067f3f8d8b08ae447d01abfba0 [1,0,0,1,0,0|2,0,0]=4 9627 B11R1.290 COCC(=O)NCCC1CC1 a31e129b1bcd3bd9764c3d12f8a17dc1 [1,0,0,1,0,0|2,0,0]=4 9628 B11R1.290 CSCC(=O)NCCC1CC1 7a223ba63aa7ca21b60387f73678eaee [1,0,0,1,0,0|2,0,0]=4 9629 B11R1.290 O=C(CCF)NCCC1CC1 cdad2acab660246f82228783b360da84 [1,0,0,1,0,0|2,0,0]=4 9630 B11R1.290 O=C(CCO)NCCC1CC1 7a47c985998f460f8ea5c0507f196d21 [1,0,0,1,0,0|2,0,0]=4 9631 B11R1.290 O=C(CCS)NCCC1CC1 c80c80365dc6ddc217c7319e269c0707 [1,0,0,1,0,0|2,0,0]=4 9632 B11R1.291 CCCC(=O)NC1CCC1F e8020b440ff7495216f63e1655678d3d [1,0,0,1,0,0|2,0,0]=4 9633 B11R1.291 CCCC(=O)NC1CCC1O ecd2f814a80c7488f292f4711202bbf2 [1,0,0,1,0,0|2,0,0]=4 9634 B11R1.291 CCCC(=O)NC1COC1C 2e1973fa6f5718042a0636d04efce41a [1,0,0,1,0,0|2,0,0]=4 9635 B11R1.291 CCCC(=O)N[C@@H]1CC[C@@H]1O 40e12853b22e986f5c1c60e83492dc57 [1,0,0,1,0,0|2,0,0]=4 9636 B11R1.291 CCCC(=O)N[C@@H]1CC[C@H]1C 6bfc221917be827119a6323aeb1c35ae [1,0,0,1,0,0|1,0,0]=3 9637 B11R1.291 CCCC(=O)N[C@@H]1CC[C@H]1O d8d3c068ab96ce0e5d0ccce1971e8ad8 [1,0,0,1,0,0|2,0,0]=4 9638 B11R1.291 CCCC(=O)N[C@H]1CC[C@@H]1O e0f793dc16285ab375c4349543998ad2 [1,0,0,1,0,0|2,0,0]=4 9639 B11R1.291 CCCC(=O)N[C@H]1CC[C@H]1C dad3e06ac860c055e6d51faea1fe754d [1,0,0,1,0,0|1,0,0]=3 9640 B11R1.291 CCCC(=O)N[C@H]1CC[C@H]1O d6a44369d13c004921a2b4cfaf0b6d09 [1,0,0,1,0,0|2,0,0]=4 9641 B11R1.291 COCC(=O)N[C@@H]1CC[C@H]1C a97c3faa05942cc1badaec0275098028 [1,0,0,1,0,0|2,0,0]=4 9642 B11R1.291 COCC(=O)N[C@H]1CC[C@H]1C d61c9d44618d5793e250731f0374a9c5 [1,0,0,1,0,0|2,0,0]=4 9643 B11R1.291 CSCC(=O)N[C@@H]1CC[C@H]1C 3b5661935be957e8cf5e56efd82f702c [1,0,0,1,0,0|2,0,0]=4 9644 B11R1.291 CSCC(=O)N[C@H]1CC[C@H]1C fd1206d1b34505934593d829c1441997 [1,0,0,1,0,0|2,0,0]=4 9645 B11R1.291 C[C@@H]1CC[C@@H]1NC(=O)CCF 721790ce6d7a3bb1ca5497c8231fcd88 [1,0,0,1,0,0|2,0,0]=4 9646 B11R1.291 C[C@@H]1CC[C@@H]1NC(=O)CCO 4771e75c88998f801f5dad51ea387cfe [1,0,0,1,0,0|2,0,0]=4 9647 B11R1.291 C[C@@H]1CC[C@@H]1NC(=O)CCS ecf3f05124295dc63b9095e71105ea82 [1,0,0,1,0,0|2,0,0]=4 9648 B11R1.291 C[C@@H]1CC[C@H]1NC(=O)CCF 1ca2c6484f7481b6c1e1a4a5d8cf86c4 [1,0,0,1,0,0|2,0,0]=4 9649 B11R1.291 C[C@@H]1CC[C@H]1NC(=O)CCO 659c281c77a3a44c03ccb596a26094fb [1,0,0,1,0,0|2,0,0]=4 9650 B11R1.291 C[C@@H]1CC[C@H]1NC(=O)CCS bbb65d1966fb489a2c485b1a12430d39 [1,0,0,1,0,0|2,0,0]=4 9651 B11R1.356 CCCCCCN(C)C1CC1 a7ba5d5f4bbcf61e7e42e20e034031e5 [1,0,0,1,0,0|2,0,0]=4 9652 B11R1.356 CCCCCOC(C)C1CC1 599d265d007e84791abf64930f8bcf6d [1,0,0,1,0,0|1,0,1]=4 9653 B11R1.356 CCCCCO[C@@H](C)C1CC1 3df8d533355acfd295846adc87e4810f [1,0,0,1,0,0|1,0,1]=4 9654 B11R1.356 CCCCCO[C@H](C)C1CC1 36941cc9742cdb833a51d95ae0176360 [1,0,0,1,0,0|1,0,1]=4 9655 B11R1.356 CCCCNCC(=O)C1CC1 61a433dc91a224d4fcf6f3d948bc77de [1,0,0,1,0,0|1,0,0]=3 9656 B11R1.356 CCCCOCC(=O)C1CC1 bfb5de48200038b3bb391bd2ea917749 [1,0,0,1,0,0|1,0,0]=3 9657 B11R1.356 CCCNCOC(=O)C1CC1 9103502bd22c746eb445f8a66f4b65cb [1,0,0,1,0,0|1,0,0]=3 9658 B11R1.356 CCCOCOC(=O)C1CC1 3a3923df6b28be4b17eea3ddafdc4628 [1,0,0,1,0,0|1,0,0]=3 9659 B11R1.356 CCOCOCC(=O)C1CC1 d47b9bb8ff1901eed21837fc7b95459a [1,0,0,1,0,0|2,0,0]=4 9660 B11R1.356 COCCNCC(=O)C1CC1 c94d897697d49e3fd28e8575a4e86504 [1,0,0,1,0,0|2,0,0]=4 9661 B11R1.356 COCCOCC(=O)C1CC1 57cf9d6b7514a7ef323662dbccb48f23 [1,0,0,1,0,0|2,0,0]=4 9662 B11R1.356 COCOCOC(=O)C1CC1 9a76151f22462155fd6c8be899e44345 [1,0,0,1,0,0|2,0,0]=4 9663 B11R1.356 CSCCNCC(=O)C1CC1 611087bb859bebaa538214b3dc0d994e [1,0,0,1,0,0|2,0,0]=4 9664 B11R1.356 CSCCOCC(=O)C1CC1 e4961c12db240bfbb61392c5102b4068 [1,0,0,1,0,0|2,0,0]=4 9665 B11R1.356 O=C(CNCCCCl)C1CC1 8d8fbe76f24700ed22c6ae7d9d3ec047 [1,0,0,1,0,0|2,0,0]=4 9666 B11R1.356 O=C(CNCCCO)C1CC1 29232e2a4d89353038ed75493fb7839d [1,0,0,1,0,0|2,0,0]=4 9667 B11R1.356 O=C(COCCCF)C1CC1 6bef7421804431aa4d1e7c642d6e12d6 [1,0,0,1,0,0|2,0,0]=4 9668 B11R1.356 O=C(COCCCS)C1CC1 326da6225b9a6a821f128af859d142e3 [1,0,0,1,0,0|2,0,0]=4 9669 B11R1.356 O=C(OCNCCBr)C1CC1 16003de66e9efb6ee81cf6a62ea1a268 [1,0,0,1,0,0|2,0,0]=4 9670 B11R1.356 O=C(OCNCCF)C1CC1 b62f2480e5f5a8f697f25f87ec250cf0 [1,0,0,1,0,0|2,0,0]=4 9671 B11R1.356 O=C(OCNCCI)C1CC1 a994ee871231c6db0252481449578601 [1,0,0,1,0,0|2,0,0]=4 9672 B11R1.356 O=C(OCNCCO)C1CC1 eb78e13d4231156ad6af15a4c91c84ec [1,0,0,1,0,0|2,0,0]=4 9673 B11R1.356 O=C(OCNCCS)C1CC1 ec80eacf9625ba9997164274d714676b [1,0,0,1,0,0|2,0,0]=4 9674 B11R1.356 O=C(OCOCCS)C1CC1 40a49eb29af6846bc8d2814c4f532c85 [1,0,0,1,0,0|2,0,0]=4 9675 B11R1.949 CCN1CCNC(=O)CC1C e9a3a48bacb57126db7dfbcc20e26947 [1,0,0,1,0,0|2,0,0]=4 9676 B11R1.5 CCCN1CCCCCC1C 29918e7d6c2ed7cbd3b8be71c6bc41c1 [1,0,0,1,0,0|2,0,0]=4 9677 B11R1.5 CCCN1CCOCCC1C 65997e4e85b8afd2bfa6b21d0e681755 [1,0,0,1,0,0|1,0,1]=4 9678 B11R1.17 CCCCN1CCCCC1C 83c4670684a1fe719987a5a81f008b63 [1,0,0,1,0,0|1,0,1]=4 9679 B11R1.17 CCCCN1CCCC[C@@H]1C 20ce0036f3189270a4c28fd97f80fe7c [1,0,0,1,0,0|1,0,1]=4 9680 B11R1.17 CCCCN1CCCC[C@H]1C 8f99e3e23714c78cfa0be5f1bf432828 [1,0,0,1,0,0|1,0,1]=4 9681 B11R1.17 CCCNC1CCCCC1C bdb9b023308419a6bdd339eb4623faf7 [1,0,0,1,0,0|2,0,0]=4 9682 B11R1.17 CCCN[C@@H]1CCCC[C@@H]1C 1317a9b9d1647bfa509f7e2a68369b53 [1,0,0,1,0,0|2,0,0]=4 9683 B11R1.17 CCCN[C@@H]1CCCC[C@H]1C fdeaf4479440c414ae221687ebf74d86 [1,0,0,1,0,0|2,0,0]=4 9684 B11R1.17 CCCN[C@H]1CCCC[C@@H]1C a75070aed8e0fbb0e1d31ce9811b7104 [1,0,0,1,0,0|2,0,0]=4 9685 B11R1.17 CCCN[C@H]1CCCC[C@H]1C 93523405ad8f6e38114baf82438de76c [1,0,0,1,0,0|2,0,0]=4 9686 B11R1.17 CCCOC1CCCCC1C 4d0cd2cc86879eaea764a5e506032648 [1,0,0,1,0,0|2,0,0]=4 9687 B11R1.17 CCCO[C@@H]1CCCC[C@@H]1C e7057264cfbad8629f9a4688e6a83d4f [1,0,0,1,0,0|2,0,0]=4 9688 B11R1.17 CCCO[C@H]1CCCC[C@@H]1C 6243eb875afc5a9f4ff394ac6f43dee3 [1,0,0,1,0,0|2,0,0]=4 9689 B11R1.17 CCCO[C@H]1CCCC[C@H]1C 81c2b2c6a4f88908629c095bb85377dd [1,0,0,1,0,0|2,0,0]=4 9690 B11R1.17 CCOCC1CC=CCC1C b389310071e916b187a9cd494364b944 [1,0,0,1,0,0|2,0,0]=4 9691 B11R1.18 CCCCN1CCCC1CC 78cb241f46461735c4b5f7893f213a25 [1,0,0,1,0,0|1,0,1]=4 9692 B11R1.18 CCCCN1CCC[C@H]1CC 7302ac816375b5c29fea5606915b75ef [1,0,0,1,0,0|1,0,1]=4 9693 B11R1.18 CCCN[C@@H]1CCC[C@H]1CC 0260a219c7a0da72fd07ddc4b096af94 [1,0,0,1,0,0|2,0,0]=4 9694 B11R1.28 CCCCNC1C=CCCC1 dce42cf7a9ac90c8acb74a49a788654b [1,0,0,1,0,0|2,0,0]=4 9695 B11R1.28 CCCCNC1CCCCC1 081506d55ac6f6089148e671a66a8336 [1,0,0,1,0,0|1,0,1]=4 9696 B11R1.28 CCCCNC1CCCCO1 3bd035030ae808d12bab4c5cba6dcb1f [1,0,0,1,0,0|1,0,1]=4 9697 B11R1.28 CCCCOC1C=CCCC1 95436f839186f58fde9551622165262e [1,0,0,1,0,0|2,0,0]=4 9698 B11R1.28 CCCCOC1CCCCC1 f5bd8d5f1c876320c48af2302e4c3043 [1,0,0,1,0,0|0,0,1]=3 9699 B11R1.28 CCCCOC1CCCCO1 876a79fef12cc68fcbedfbd209aaa824 [1,0,0,1,0,0|1,0,1]=4 9700 B11R1.28 CCCCOC1CCCOC1 b965f0a69b783a538a209e81db495746 [1,0,0,1,0,0|1,0,1]=4 9701 B11R1.28 CCCCOC1CCCSC1 d2154f649ac030f2f81aff751bce0e92 [1,0,0,1,0,0|1,0,1]=4 9702 B11R1.28 CCCCOC1CCOCC1 2c5700fee9a0f081ce7c3e2b031ac7d4 [1,0,0,1,0,0|1,0,1]=4 9703 B11R1.28 CCCCOC1CCSCC1 33d373d9ee529d2dbbc9a9e28861aac1 [1,0,0,1,0,0|1,0,1]=4 9704 B11R1.28 CCCCO[C@@H]1CCCOC1 76b964cddf72514bedf80202ed3e7a06 [1,0,0,1,0,0|1,0,1]=4 9705 B11R1.28 CCCCO[C@H]1CCCOC1 9f7a3bf7e5b7e495c6b0685f6ef9d2d9 [1,0,0,1,0,0|1,0,1]=4 9706 B11R1.28 CCCNCC1CCCCC1 d57d75a8c5a99c98c9e00aaf0dac4e8e [1,0,0,1,0,0|2,0,0]=4 9707 B11R1.28 CCCNCC1CCCCO1 fe32d4ffbdc5749c38e47cf869213fa5 [1,0,0,1,0,0|1,0,1]=4 9708 B11R1.28 CCCOCC1CCC=CO1 e89dcca9344c6e6ffe5fd85c14cfe540 [1,0,0,1,0,0|1,0,1]=4 9709 B11R1.28 CCCOCC1CCCCC1 a40e97204a11eb00ef961e0329142e58 [1,0,0,1,0,0|2,0,0]=4 9710 B11R1.28 CCCOCC1CCCCO1 90f98ba9e9eadc1d9df337afb14e5eef [1,0,0,1,0,0|1,0,1]=4 9711 B11R1.28 CCCOC[C@@H]1CCCCO1 20a5d3e0feb8c992886908978ec6f96d [1,0,0,1,0,0|1,0,1]=4 9712 B11R1.28 CCCOC[C@H]1CCCCO1 6cb49fd295b71bf392a373607d504cfc [1,0,0,1,0,0|1,0,1]=4 9713 B11R1.28 CCNCCC1CCCCO1 0514cc2009abea27205eb2d4527ea2a3 [1,0,0,1,0,0|1,0,1]=4 9714 B11R1.28 CCOCCC1CCCCO1 0eb2e7b6ffe2601ad6e04d63bcdae13d [1,0,0,1,0,0|1,0,1]=4 9715 B11R1.28 CCOCOC1CCCCC1 bce8c02398227889de43c612ff29ff76 [1,0,0,1,0,0|1,0,1]=4 9716 B11R1.28 COCCOC1CCCCC1 89747c8b73267e9a27e120d58cc56307 [1,0,0,1,0,0|1,0,1]=4 9717 B11R1.28 CSCCOC1CCCCC1 22ac0590a2acde06c0b7b58e1c97187f [1,0,0,1,0,0|1,0,1]=4 9718 B11R1.28 FCCCOC1CCCCC1 da6d8f04453b061b9af4cd595a01691d [1,0,0,1,0,0|1,0,1]=4 9719 B11R1.28 SCCCOC1CCCCC1 da2c6989cda21de68fbeb93b91e0ede6 [1,0,0,1,0,0|1,0,1]=4 9720 B11R1.41 CCCN1CCCCC1CC f2435757f1fd18c21601dd2b31d08991 [1,0,0,1,0,0|2,0,0]=4 9721 B11R1.41 CCCN1CCCC[C@@H]1CC a1da9c4facc05a83af6dbc4dddc1c007 [1,0,0,1,0,0|2,0,0]=4 9722 B11R1.41 CCCN1CCCC[C@H]1CC 211bfe4f63afdabf8e93ac5b64213f46 [1,0,0,1,0,0|2,0,0]=4 9723 B11R1.41 CCCN1CCOCC1CC 976c9f74976ccbb85c65835b77253721 [1,0,0,1,0,0|1,0,1]=4 9724 B11R1.41 CCCN1CCOC[C@@H]1CC 51af9da65d34ccb85f92a8e8e609687b [1,0,0,1,0,0|1,0,1]=4 9725 B11R1.41 CCCN1CCOC[C@H]1CC 742ea737b16f28dca9357fd1b74dd02e [1,0,0,1,0,0|1,0,1]=4 9726 B11R1.41 CCNC1CCOCC1CC a0788cf5023e9650f9f81209af942bae [1,0,0,1,0,0|1,0,1]=4 9727 B11R1.46 CCC/C=C/CNC1CC1C b2bfc212a82b3cd4a76153e1e962ddc1 [1,0,0,1,0,0|2,0,0]=4 9728 B11R1.46 CCC/C=C\CNC1CC1C 7c3347bf3047db31697f142d6af6c216 [1,0,0,1,0,0|2,0,0]=4 9729 B11R1.46 CCCCCCNC1CC1C b45c8cc8aab0d0f6e85bc0878785f9a8 [1,0,0,1,0,0|1,0,1]=4 9730 B11R1.46 CCCCOCNC1CC1C cfe8566de8632e6924b5040e971538cc [1,0,0,1,0,0|1,0,1]=4 9731 B11R1.47 CCC/C=C/CNC1CCC1 f0fb99c2215b77227f003aeef1b75ddb [1,0,0,1,0,0|2,0,0]=4 9732 B11R1.47 CCC/C=C/COC1CCC1 fb154530bd64717aad2487fcfc2d399a [1,0,0,1,0,0|2,0,0]=4 9733 B11R1.47 CCC/C=C\CNC1CCC1 957d8165c41184aba546cb2509e8cc80 [1,0,0,1,0,0|2,0,0]=4 9734 B11R1.47 CCC/C=C\COC1CCC1 adeee1e04f5affe62529504b6300f882 [1,0,0,1,0,0|2,0,0]=4 9735 B11R1.47 CCCCCCCN1CCC1 fee8360b73c5a8bdd416a5139d6968a3 [1,0,0,1,0,0|2,0,0]=4 9736 B11R1.47 CCCCCCNC1CCC1 b26a0715d69af89d10892938e8d52ecd [1,0,0,1,0,0|1,0,1]=4 9737 B11R1.47 CCCCCCOC1CCC1 95c82acfdeac63f9cd311721ad86c980 [1,0,0,1,0,0|0,0,1]=3 9738 B11R1.47 CCCCCCOC1COC1 60bbff0f992a3812da6a4cbcabc1c476 [1,0,0,1,0,0|1,0,1]=4 9739 B11R1.47 CCCCCCOC1CSC1 bc91b288c62723d0c7bff3ccd0cac76c [1,0,0,1,0,0|1,0,1]=4 9740 B11R1.47 CCCCNCCC1CCC1 62baad0f5bbb1adf6b0756fff3d23cce [1,0,0,1,0,0|1,0,1]=4 9741 B11R1.47 CCCCOCCC1CCC1 85001243f0c33622d1a508ce0f3b262b [1,0,0,1,0,0|0,0,1]=3 9742 B11R1.47 CCCCOCCC1CCO1 0d19e3cf6ded3e448b9a2892fc698aa6 [1,0,0,1,0,0|1,0,1]=4 9743 B11R1.47 CCCCOCCC1COC1 4b18519d3570401cdf2ca76a643cd309 [1,0,0,1,0,0|1,0,1]=4 9744 B11R1.47 CCCCOCCN1CCC1 f1c15eb353ed30636cba0c3a432a7f4f [1,0,0,1,0,0|1,0,1]=4 9745 B11R1.47 CCCCOCC[C@@H]1CCO1 4c92bef55ca26b5a622f3bbe7b5f493e [1,0,0,1,0,0|1,0,1]=4 9746 B11R1.47 CCCCOCC[C@H]1CCO1 34694f9909c56c54c4a207264ca54746 [1,0,0,1,0,0|1,0,1]=4 9747 B11R1.47 CCCCOCNC1CCC1 87d70ee20d77964052b02012a4b8cfe3 [1,0,0,1,0,0|1,0,1]=4 9748 B11R1.47 CCCCOCOC1CCC1 0177bc7749ef86679020b748ccea1f87 [1,0,0,1,0,0|1,0,1]=4 9749 B11R1.47 CCCNCCOC1CCC1 2f66b2f850045980b3b5a33aa2f764c0 [1,0,0,1,0,0|1,0,1]=4 9750 B11R1.47 CCCOCCCC1CCC1 7382dbd4db11d05da7dc17df968bd9ea [1,0,0,1,0,0|2,0,0]=4 9751 B11R1.47 CCCOCCOC1CCC1 bbceec19bb20ee49155cb185e848c1f0 [1,0,0,1,0,0|1,0,1]=4 9752 B11R1.47 CCCSCCOC1CCC1 c24996cc7e5cc87b9214c3c3bc405aa3 [1,0,0,1,0,0|1,0,1]=4 9753 B11R1.47 CCOCCCOC1CCC1 4a3a3961f24c64087a70d3f026edb6e0 [1,0,0,1,0,0|1,0,1]=4 9754 B11R1.47 CCOCOCCC1CCC1 2bbf466354495be4ad331541724eb363 [1,0,0,1,0,0|1,0,1]=4 9755 B11R1.47 CCSCCCOC1CCC1 6d804e3049445675130f580c06d2a588 [1,0,0,1,0,0|1,0,1]=4 9756 B11R1.47 COCCCCOC1CCC1 acdbb527a24242f45f8e86ce08f2e7fd [1,0,0,1,0,0|1,0,1]=4 9757 B11R1.47 COCCOCCC1CCC1 259902e0a76cb00382140cdad248936c [1,0,0,1,0,0|1,0,1]=4 9758 B11R1.47 CSCCCCOC1CCC1 9bb03d725a9976e0f72a9e402a362ea3 [1,0,0,1,0,0|1,0,1]=4 9759 B11R1.47 CSCCOCCC1CCC1 d5f73a036d025960525e04a28eaa5162 [1,0,0,1,0,0|1,0,1]=4 9760 B11R1.47 FCCCCCOC1CCC1 50adb4e9da9360c13438ed391503c4c3 [1,0,0,1,0,0|1,0,1]=4 9761 B11R1.47 FCCCOCCC1CCC1 f96741d2de6dae7a6b70f1a268231477 [1,0,0,1,0,0|1,0,1]=4 9762 B11R1.47 SCCCOCCC1CCC1 c570e993003db0640620f3e32883c571 [1,0,0,1,0,0|1,0,1]=4 9763 B11R1.99 CCC/C=C/CNCC1CC1 06a991938bed43a404d33dca3bddb1c9 [1,0,0,1,0,0|2,0,0]=4 9764 B11R1.99 CCC/C=C/COCC1CC1 d17ca3e00eb49e45de2347b0bc3a8dd2 [1,0,0,1,0,0|2,0,0]=4 9765 B11R1.99 CCC/C=C\CCOC1CC1 99a1462f77ef4a50fd3a85ce74b7aad9 [1,0,0,1,0,0|2,0,0]=4 9766 B11R1.99 CCC/C=C\CNCC1CC1 1886fd1afeeae8f7cad6b13134f7808f [1,0,0,1,0,0|2,0,0]=4 9767 B11R1.99 CCC/C=C\COCC1CC1 6e487078a9ec05e25080372d2041ea69 [1,0,0,1,0,0|2,0,0]=4 9768 B11R1.99 CCCCCCCNC1CC1 f3eda5f5f3ce39f724aa2c899a2a9b33 [1,0,0,1,0,0|2,0,0]=4 9769 B11R1.99 CCCCCCCOC1CC1 cf4fbfbf4e38a1d8c5b44b3a3b2e5bcf [1,0,0,1,0,0|2,0,0]=4 9770 B11R1.99 CCCCCCNCC1CC1 684af512ae233f85f91baeda69d9f7e3 [1,0,0,1,0,0|1,0,1]=4 9771 B11R1.99 CCCCCCOCC1CC1 c1ddb491c84df944feccf1fa581b283b [1,0,0,1,0,0|0,0,1]=3 9772 B11R1.99 CCCCOC/C=C/C1CC1 015b5a67af08c04a68a897d2b4c54a9a [1,0,0,1,0,0|2,0,0]=4 9773 B11R1.99 CCCCOCCCC1CC1 d650cf0b4a53cbc1cf29dc528b7d050d [1,0,0,1,0,0|0,0,1]=3 9774 B11R1.99 CCCCOCCNC1CC1 df852f75fec1db6918290bf083a8395f [1,0,0,1,0,0|1,0,1]=4 9775 B11R1.99 CCCCOCCOC1CC1 23b6b44f5f96de65cb8d23158a02c9bd [1,0,0,1,0,0|1,0,1]=4 9776 B11R1.99 CCCCOCNCC1CC1 c9a714f324a258255a555d1b6e7f7dc5 [1,0,0,1,0,0|1,0,1]=4 9777 B11R1.99 CCCCOCOCC1CC1 b78bd3a2d34280c1b4f8d5009f0cfab8 [1,0,0,1,0,0|1,0,1]=4 9778 B11R1.99 CCCOCCOCC1CC1 85495a4e26b5c1a028b1e8d96206832d [1,0,0,1,0,0|1,0,1]=4 9779 B11R1.99 CCCSCCOCC1CC1 d8487b5b3742d5992a98fc7bb22dc0f0 [1,0,0,1,0,0|1,0,1]=4 9780 B11R1.99 CCNCCCOCC1CC1 6eda03a6a2cf992c68021677899fc831 [1,0,0,1,0,0|1,0,1]=4 9781 B11R1.99 CCOCCCOCC1CC1 657c6aba8b16a5040eb53f45200a0859 [1,0,0,1,0,0|1,0,1]=4 9782 B11R1.99 CCOCOCCCC1CC1 1f884ce556bece9b2e003de139d88c0e [1,0,0,1,0,0|1,0,1]=4 9783 B11R1.99 CCSCCCOCC1CC1 ec90fee823386d322da894d439977833 [1,0,0,1,0,0|1,0,1]=4 9784 B11R1.99 COCCCCOCC1CC1 09d035f4def3684e121ad4a3c5bcc03a [1,0,0,1,0,0|1,0,1]=4 9785 B11R1.99 COCCOCCCC1CC1 56f581093b31fc86994198e06996e98f [1,0,0,1,0,0|1,0,1]=4 9786 B11R1.99 CSCCCCOCC1CC1 86d1ee07a058962c1e22fceddc8866d3 [1,0,0,1,0,0|1,0,1]=4 9787 B11R1.99 CSCCOCCCC1CC1 5fdf38fef507e2e92a4e5d339bfcb78b [1,0,0,1,0,0|1,0,1]=4 9788 B11R1.99 FCCCCCOCC1CC1 3e49375014a1122ca83478d257db73a6 [1,0,0,1,0,0|1,0,1]=4 9789 B11R1.99 FCCCOCCCC1CC1 34d8ec272f37323bf6207c037550ee47 [1,0,0,1,0,0|1,0,1]=4 9790 B11R1.99 SCCCOCCCC1CC1 9918a26f937e2a92fd6b30622e0be073 [1,0,0,1,0,0|1,0,1]=4 9791 B11R1.190 CCCCOCC1CCC1F 242777143ecb2cd46f7a74061f6d0e4f [1,0,0,1,0,0|1,0,1]=4 9792 B11R1.190 CCCCOCC1CCN1C 7921ea40754a8b7abe3e2e4c83e7b4e2 [1,0,0,1,0,0|1,0,1]=4 9793 B11R1.190 CCCCOC[C@@H]1CCN1C 58a093bd1a5865018cd62b7c89d1854a [1,0,0,1,0,0|1,0,1]=4 9794 B11R1.190 CCCCOC[C@H]1CCN1C f9b70a340c96b2720df6380bfaf0b4cf [1,0,0,1,0,0|1,0,1]=4 9795 B11R1.203 CCCCN1CCCCCC1 efa7754fb7e0af662a839d9bbcf60db4 [1,0,0,1,0,0|1,0,1]=4 9796 B11R1.203 CCCNC1CCCCCC1 be3afd6091ac207b6cf40b281273c757 [1,0,0,1,0,0|2,0,0]=4 9797 B11R1.203 CCCOC1CCCCCC1 a0d3b974b653d57eb78c12eb297baa1e [1,0,0,1,0,0|2,0,0]=4 9798 B11R1.1 CCCNC1CCC(=O)NC1 01bca8b88e0ca1be03a17004b6a757eb [1,0,0,1,0,0|2,0,0]=4 9799 B11R1.1 CCCN[C@@H]1CCC(=O)NC1 f6da54c348c4f94d3f0c0f59910a83e9 [1,0,0,1,0,0|2,0,0]=4 9800 B11R1.1 CCCN[C@H]1CCC(=O)NC1 102971ed7a08e614b31cecd45e20f679 [1,0,0,1,0,0|2,0,0]=4 9801 B11R1.1 CCCOC1CCC(=O)CC1 bd2b467d79e74784675ac0fed3b52410 [1,0,0,1,0,0|2,0,0]=4 9802 B11R1.1 CCCOC1CCC(=O)NC1 2c5714f2e0f298f2039432cc852f7bea [1,0,0,1,0,0|2,0,0]=4 9803 B11R1.1 CCCOC1CCC(=O)OC1 14f68677ebd93dd79e6aff031f73ae29 [1,0,0,1,0,0|1,0,0]=3 9804 B11R1.1 CCCO[C@@H]1CCC(=O)NC1 a1b5fbd9589b341d2f02f45d48cf9b8b [1,0,0,1,0,0|2,0,0]=4 9805 B11R1.1 CCCO[C@H]1CCC(=O)NC1 d60f46dfa0faf1fef277b47dbe8465b4 [1,0,0,1,0,0|2,0,0]=4 9806 B11R1.1 CCNCC1CCC(=O)NC1 fb66b35d54ea28109e3418814f1a27c8 [1,0,0,1,0,0|2,0,0]=4 9807 B11R1.1 CCOCC1CCC(=O)CC1 173502265d717c3ab544f2cf467f9ed3 [1,0,0,1,0,0|2,0,0]=4 9808 B11R1.1 CCOCC1CCC(=O)NC1 113ad3ff7f74b2a9a0b35565fd73cc87 [1,0,0,1,0,0|2,0,0]=4 9809 B11R1.1 COCOC1CCC(=O)OC1 7bbb527ea6b8b0aa3dea9ab4b8ad3e42 [1,0,0,1,0,0|2,0,0]=4 9810 B11R1.1 CSCOC1CCC(=O)OC1 2a56f8b9adee39ece1780f4b86a249e9 [1,0,0,1,0,0|2,0,0]=4 9811 B11R1.1 O=C1CCC(CO1)OCCF 2fe856fd4572c2d2c163269a480451cf [1,0,0,1,0,0|2,0,0]=4 9812 B11R1.1 O=C1CCC(CO1)OCCS 52ab2dec8247620d8be01eb74f832e4e [1,0,0,1,0,0|2,0,0]=4 9813 B11R1.13 CCCN1CCNC(=O)C1C e2000285665816158bad39a600919fdf [1,0,0,1,0,0|2,0,0]=4 9814 B11R1.13 CCCN1CCNC(=O)[C@@H]1C 5f00d6742afd6e2977c386756da7cab8 [1,0,0,1,0,0|2,0,0]=4 9815 B11R1.13 CCCN1CCNC(=O)[C@H]1C 5612e150fb5409c8a4be11e1d3c4784d [1,0,0,1,0,0|2,0,0]=4 9816 B11R1.25 CCC(=O)CNC1CCCC1 76b45c3a0dd534705a0e971da9b0a719 [1,0,0,1,0,0|2,0,0]=4 9817 B11R1.25 CCC(=O)COC1CCCC1 f5592f3105f8177e7a774879be0a01c7 [1,0,0,1,0,0|2,0,0]=4 9818 B11R1.25 CCC(=O)NCC1CCCC1 c4f7a0ef14d38131f5bfe5b834523fe9 [1,0,0,1,0,0|1,0,0]=3 9819 B11R1.25 CCC(=O)NCC1CCCO1 11b4bb6794a0a5284ed9d6e1fad2ba9e [1,0,0,1,0,0|2,0,0]=4 9820 B11R1.25 CCC(=O)NCC1CCOC1 02395e5824ff993a7f87648aa9f6e129 [1,0,0,1,0,0|2,0,0]=4 9821 B11R1.25 CCC(=O)NC[C@@H]1CCCO1 b9b6d667c518c694c2bac7ebb91dcb9e [1,0,0,1,0,0|2,0,0]=4 9822 B11R1.25 CCC(=O)NC[C@@H]1CCOC1 60d8ce231e5c3b9d8760e185bea35a50 [1,0,0,1,0,0|2,0,0]=4 9823 B11R1.25 CCC(=O)NC[C@H]1CCCO1 cf85512407294e366b6e722051353142 [1,0,0,1,0,0|2,0,0]=4 9824 B11R1.25 CCC(=O)NC[C@H]1CCOC1 f30f07811c8e8f2337942f88836c4778 [1,0,0,1,0,0|2,0,0]=4 9825 B11R1.25 CCC(=O)OCN1CCSC1 c6d500603d3d31ea740e8af3990c2944 [1,0,0,1,0,0|2,0,0]=4 9826 B11R1.25 CCC(C)OCC1CCCC1 2f12543a32cb522b428f27964a4e9aef [1,0,0,1,0,0|1,0,1]=4 9827 B11R1.25 CC[C@@H](C)OCC1CCCC1 13fec55c187260c1660e170333da6324 [1,0,0,1,0,0|1,0,1]=4 9828 B11R1.25 CC[C@H](C)OCC1CCCC1 0d101bde4ae5e53f0d43f7b5ab5c1d19 [1,0,0,1,0,0|1,0,1]=4 9829 B11R1.25 O=C(CF)NCC1CCCC1 99bf786d6f4caaa837fed42ace4d07b6 [1,0,0,1,0,0|2,0,0]=4 9830 B11R1.25 O=C(CO)NCC1CCCC1 f7ac91afe6b6e514190cbfb9dcc5af90 [1,0,0,1,0,0|2,0,0]=4 9831 B11R1.25 O=C(CS)NCC1CCCC1 8fb56c7ce7e1ab96cfce8ab70e30d7b0 [1,0,0,1,0,0|2,0,0]=4 9832 B11R1.27 CCCCOC1CCC(=O)C1 727929739aee4fa06897e895ceb533a0 [1,0,0,1,0,0|2,0,0]=4 9833 B11R1.27 CCCNCC1CCC(=O)N1 30a24274dc2a4201a760959ff889a8ac [1,0,0,1,0,0|2,0,0]=4 9834 B11R1.27 CCCNCC1CCC(=O)O1 192e1b88d26e187571243f52c87c3f25 [1,0,0,1,0,0|1,0,0]=3 9835 B11R1.27 CCCNC[C@@H]1CCC(=O)N1 f9262cdecc5e6e0e979d984d77f464f2 [1,0,0,1,0,0|2,0,0]=4 9836 B11R1.27 CCCNC[C@H]1CCC(=O)N1 edad095491b7add8ca64d929567a3f7e [1,0,0,1,0,0|2,0,0]=4 9837 B11R1.27 CCCOCC1CCC(=O)C1 e706b3e203ec0c6715752bcdbd3f5694 [1,0,0,1,0,0|2,0,0]=4 9838 B11R1.27 CCCOCC1CCC(=O)N1 69196ae092eace860730e3fef24858e6 [1,0,0,1,0,0|2,0,0]=4 9839 B11R1.27 CCCOCC1CCC(=O)O1 e9e82695e85d6e35f1d9b435b1472756 [1,0,0,1,0,0|1,0,0]=3 9840 B11R1.27 CCCOC[C@@H]1CCC(=O)C1 f9bb9dadbddc29fa2aa419e4699cef28 [1,0,0,1,0,0|2,0,0]=4 9841 B11R1.27 CCCOC[C@@H]1CCC(=O)N1 06b21930b9e936208c8c09c97d53118a [1,0,0,1,0,0|2,0,0]=4 9842 B11R1.27 CCCOC[C@@H]1CCC(=O)O1 451cbd28723ca3d63ce2083daa5f1a8b [1,0,0,1,0,0|1,0,0]=3 9843 B11R1.27 CCCOC[C@H]1CCC(=O)N1 557bdab749391b52f868e5fd71e08cef [1,0,0,1,0,0|2,0,0]=4 9844 B11R1.27 CCCOC[C@H]1CCC(=O)O1 ba98c0589f5943fe8be2745df7bb5cb9 [1,0,0,1,0,0|1,0,0]=3 9845 B11R1.27 CCOCC[C@@H]1CCC(=O)N1 b50b945e43f449c2c8984f3d2635510d [1,0,0,1,0,0|2,0,0]=4 9846 B11R1.27 COCOCC1CCC(=O)O1 0bc26c8413546f06f44394eb0d1b91f4 [1,0,0,1,0,0|2,0,0]=4 9847 B11R1.27 COCOC[C@@H]1CCC(=O)O1 b66adb2b97b44d8d4f07a03cf38d6639 [1,0,0,1,0,0|2,0,0]=4 9848 B11R1.27 COCOC[C@H]1CCC(=O)O1 7cde2a030b457b7cacd9be76c6fcab25 [1,0,0,1,0,0|2,0,0]=4 9849 B11R1.27 O=C1CCC(O1)CNCCBr 82ef3f4c05c4710243d0b911a82bb0c8 [1,0,0,1,0,0|2,0,0]=4 9850 B11R1.27 O=C1CCC(O1)CNCCF 8baa362bf9ce2cffff95686b955a48f5 [1,0,0,1,0,0|2,0,0]=4 9851 B11R1.27 O=C1CCC(O1)CNCCI 49baa9b0b225cbb33d16cffa4453cd53 [1,0,0,1,0,0|2,0,0]=4 9852 B11R1.27 O=C1CCC(O1)CNCCO 4ad376a826e33a8656380aea4cf82844 [1,0,0,1,0,0|2,0,0]=4 9853 B11R1.27 O=C1CCC(O1)CNCCS 3a200e3011103e4ea340eed1245f9bfa [1,0,0,1,0,0|2,0,0]=4 9854 B11R1.27 O=C1CCC(O1)COCCF 8b44256d489d669b66439448a3a08d3d [1,0,0,1,0,0|2,0,0]=4 9855 B11R1.27 O=C1CCC(O1)COCCS 9734e369e040cd029edb505263aadd13 [1,0,0,1,0,0|2,0,0]=4 9856 B11R1.27 O=C1CC[C@@H](O1)COCCF 5a8f953a3f7988df8b786a07995f5d8a [1,0,0,1,0,0|2,0,0]=4 9857 B11R1.27 O=C1CC[C@@H](O1)COCCS 4ce048852a979776f4ad91b5ae881e40 [1,0,0,1,0,0|2,0,0]=4 9858 B11R1.27 O=C1CC[C@H](O1)COCCF a337c2cae5bb20c253e43c29c8e26538 [1,0,0,1,0,0|2,0,0]=4 9859 B11R1.27 O=C1CC[C@H](O1)COCCS 0b9030b2f233b188f2ccd225b3a07b89 [1,0,0,1,0,0|2,0,0]=4 9860 B11R1.40 CCC(=O)NC1CCCOC1 6a44e5ed4a68ff40ee26387827becf9a [1,0,0,1,0,0|2,0,0]=4 9861 B11R1.40 CCC(=O)NC1CCOCC1 0ecbabe059b9d557eb6b263d4b851ed7 [1,0,0,1,0,0|2,0,0]=4 9862 B11R1.40 CCC(=O)NC1CCSCC1 63146d5f136fa04f33c9c991b53d2ca9 [1,0,0,1,0,0|2,0,0]=4 9863 B11R1.40 CCC(=O)N[C@@H]1CCCOC1 07ed65afefafaafb25ccddc8b9d18cc2 [1,0,0,1,0,0|2,0,0]=4 9864 B11R1.40 CCC(=O)N[C@H]1CCCOC1 87319a9c3ec35612f157bccaab09fdd1 [1,0,0,1,0,0|2,0,0]=4 9865 B11R1.40 CCC(C)OC1CCCCC1 5314eadc109e4244fc32fa4504bd073c [1,0,0,1,0,0|1,0,1]=4 9866 B11R1.40 CC[C@@H](C)OC1CCCCC1 f2a6fb3afcec156ba44da6c293278c31 [1,0,0,1,0,0|1,0,1]=4 9867 B11R1.40 CC[C@H](C)OC1CCCCC1 591e7bf7445591bdfacfa2200dc9cfc6 [1,0,0,1,0,0|1,0,1]=4 9868 B11R1.59 CCC(=O)N1CCCC1CC 2ce87378127394d65266906acf474f6e [1,0,0,1,0,0|1,0,0]=3 9869 B11R1.59 CCC(=O)N1CCCC1CO a30543a2e0b85ced04a885e63f2a90f6 [1,0,0,1,0,0|2,0,0]=4 9870 B11R1.59 CCC(=O)N1CCCC1OC aa26569e27c62c457af7b3e57fe7708b [1,0,0,1,0,0|2,0,0]=4 9871 B11R1.59 CCC(=O)N1CCC[C@@H]1CF d9a66285aa8275f1d9f57e277d52b988 [1,0,0,1,0,0|2,0,0]=4 9872 B11R1.59 CCC(=O)N1CCC[C@@H]1CO 110fbd1b0721564ee8bd4aa2e3e499a4 [1,0,0,1,0,0|2,0,0]=4 9873 B11R1.59 CCC(=O)N1CCC[C@H]1CC 6dd4884ad62ec61fc10830857b5556fa [1,0,0,1,0,0|1,0,0]=3 9874 B11R1.59 CCC(=O)N1CCC[C@H]1CF 5efa260936e5159046b7210fd61cb6a2 [1,0,0,1,0,0|2,0,0]=4 9875 B11R1.59 CCC(=O)N1CCC[C@H]1CO 926090e2a7c586e2ae33596e021708e1 [1,0,0,1,0,0|2,0,0]=4 9876 B11R1.59 CCC1CCCN1C(=O)CF f1ec72c708cfe8359aeebefbb83a2bb0 [1,0,0,1,0,0|2,0,0]=4 9877 B11R1.59 CCC1CCCN1C(=O)CO a6fe23a8d97bd8a3bcaaf6c6878f2b20 [1,0,0,1,0,0|2,0,0]=4 9878 B11R1.59 CCC1CCCN1C(=O)CS 2990aaaad8906e7ab767552f7ab9c7d3 [1,0,0,1,0,0|2,0,0]=4 9879 B11R1.59 CC[C@@H]1CCCN1C(=O)CF c56e06baf84edd593aecc5eb52dee85a [1,0,0,1,0,0|2,0,0]=4 9880 B11R1.59 CC[C@@H]1CCCN1C(=O)CO e9a793273f1ff379a973956361ab8bb9 [1,0,0,1,0,0|2,0,0]=4 9881 B11R1.59 CC[C@@H]1CCCN1C(=O)CS 7efc59165130ee1584e935438064b11b [1,0,0,1,0,0|2,0,0]=4 9882 B11R1.115 CCC(=O)N1CCC1CCO eddb6c4f0d5bb86f1b69a9d0a98c855f [1,0,0,1,0,0|2,0,0]=4 9883 B11R1.115 CCC(=O)N1CCC1COC db3d0b5d118dcddc156574aa13753f9d [1,0,0,1,0,0|2,0,0]=4 9884 B11R1.115 CCC(=O)N1CC[C@@H]1COC 577aea14e80ad29d1cb7c127eea306dc [1,0,0,1,0,0|2,0,0]=4 9885 B11R1.115 CCC(=O)N1CC[C@H]1COC 45ac63ef9836610feb682a191373f53a [1,0,0,1,0,0|2,0,0]=4 9886 B11R1.131 CCC(=O)N[C@H]1C[C@@H]1COC 509331a929030f0759e5d58d9af6a1d3 [1,0,0,1,0,0|2,0,0]=4 9887 B11R1.131 CCC(=O)N[C@H]1C[C@H]1COC 76c2d3bfb3ce3a7985f6beb08cb6b3fa [1,0,0,1,0,0|2,0,0]=4 9888 B11R1.222 CC1CCCCN1C(=O)CF 2a20aad245cc4e1b1043d68e67a10cc7 [1,0,0,1,0,0|2,0,0]=4 9889 B11R1.222 CC1CCCCN1C(=O)CO f2377579275bd5ba13851bbc93dd16bd [1,0,0,1,0,0|2,0,0]=4 9890 B11R1.222 CC1CCCCN1C(=O)CS 68a733d59a5683e65b805d00c889dec6 [1,0,0,1,0,0|2,0,0]=4 9891 B11R1.222 CCC(=O)N1CCCCC1C 9f8997a43a0135743998f58647508ffc [1,0,0,1,0,0|1,0,0]=3 9892 B11R1.222 CCC(=O)N1CCCC[C@@H]1C b83df98c72b4c39c4638f2400442f81a [1,0,0,1,0,0|1,0,0]=3 9893 B11R1.222 CCC(=O)N1CCCC[C@H]1C ea345c17f894328087f191f4cea87dc5 [1,0,0,1,0,0|1,0,0]=3 9894 B11R1.222 CCC(=O)N1CCOCC1C c62b05094ec92ad8bfadc072896fcd99 [1,0,0,1,0,0|2,0,0]=4 9895 B11R1.222 CCC(=O)N1CCOC[C@@H]1C fa6d883d02ea18be62391aed8ef72573 [1,0,0,1,0,0|2,0,0]=4 9896 B11R1.222 CCC(=O)N1CCOC[C@H]1C 2ec268205e61d451ea1e7cf81e8e23f4 [1,0,0,1,0,0|2,0,0]=4 9897 B11R1.222 C[C@@H]1CCCCN1C(=O)CF 0e104784bf225e33e8089450924912a4 [1,0,0,1,0,0|2,0,0]=4 9898 B11R1.222 C[C@@H]1CCCCN1C(=O)CO d453731bdb038659b97a613a0b95de07 [1,0,0,1,0,0|2,0,0]=4 9899 B11R1.222 C[C@@H]1CCCCN1C(=O)CS 483f96e82fc51ff9e9c2d6b4ca146ee9 [1,0,0,1,0,0|2,0,0]=4 9900 B11R1.222 C[C@H]1CCCCN1C(=O)CF e6b6a07302c373d4a21429fef19bffdc [1,0,0,1,0,0|2,0,0]=4 9901 B11R1.222 C[C@H]1CCCCN1C(=O)CO 754de7529e354e1000f4a6e493fc95f0 [1,0,0,1,0,0|2,0,0]=4 9902 B11R1.222 C[C@H]1CCCCN1C(=O)CS e939555a2b85d077dd09c59319c1bc1a [1,0,0,1,0,0|2,0,0]=4 9903 B11R1.223 CCC(=O)CN[C@@H]1CC[C@H]1C a8bc64d29c0a05022b6529f0429434ad [1,0,0,1,0,0|2,0,0]=4 9904 B11R1.223 CCC(=O)CN[C@H]1CC[C@H]1C aec74fc52f158fa0328dbfb0fd3a9d65 [1,0,0,1,0,0|2,0,0]=4 9905 B11R1.223 CCC(=O)NCC1CCN1C 91dc0d0c07e7c84744d12eaecec3fa57 [1,0,0,1,0,0|2,0,0]=4 9906 B11R1.228 CCC(=O)CN1CCCC1C 2d36f414b06a9d1b55e1af6cba137dab [1,0,0,1,0,0|2,0,0]=4 9907 B11R1.228 CCC(=O)CN1CCC[C@@H]1C b7575d72ac60a5bdc9b498426c391697 [1,0,0,1,0,0|2,0,0]=4 9908 B11R1.228 CCC(=O)CN1CCC[C@H]1C fdba0def75e7161dd804c0c5c627099c [1,0,0,1,0,0|2,0,0]=4 9909 B11R1.228 CCC(=O)NC1CCCC1O 01de627d23e41f13a1c7baeffc36a9e5 [1,0,0,1,0,0|2,0,0]=4 9910 B11R1.228 CCC(=O)N[C@@H]1CCC[C@@H]1O 41b1cda875f5a8026c0e7b04a1fe0abc [1,0,0,1,0,0|2,0,0]=4 9911 B11R1.228 CCC(=O)N[C@@H]1CCC[C@H]1O 9f11c0577fa3011c0f54373a6aa6eaf6 [1,0,0,1,0,0|2,0,0]=4 9912 B11R1.228 CCC(=O)N[C@H]1CCC[C@@H]1O a913ca3fd120db7f95862456e02aa591 [1,0,0,1,0,0|2,0,0]=4 9913 B11R1.228 CCC(=O)N[C@H]1CCC[C@H]1O 14fa599c03ed82f32840dae4c12b46c7 [1,0,0,1,0,0|2,0,0]=4 9914 B11R1.228 CCC(C)OC1CCCC1C 9eb506c0f7ce3441a241e669b839fe95 [1,0,0,1,0,0|1,0,1]=4 9915 B11R1.228 CCC(C)O[C@@H]1CCC[C@@H]1C 6559207c102d3b38e4dceefbf7106445 [1,0,0,1,0,0|1,0,1]=4 9916 B11R1.228 CCC(C)O[C@@H]1CCC[C@H]1C 44fc424a1c98e4aadbf2baf1319dbdc6 [1,0,0,1,0,0|1,0,1]=4 9917 B11R1.228 CCC(C)O[C@H]1CCC[C@@H]1C fcb1f7222315e6f6a2654cc9e85f70a3 [1,0,0,1,0,0|1,0,1]=4 9918 B11R1.228 CCC(C)O[C@H]1CCC[C@H]1C 82684ef614250dfd09da00ddaf0e4480 [1,0,0,1,0,0|1,0,1]=4 9919 B11R1.235 CCC(=O)COCC1CC1C 341fed97651fecaab533caa221b634a9 [1,0,0,1,0,0|2,0,0]=4 9920 B11R1.235 CCC(=O)COC[C@@H]1C[C@@H]1C e2c201c46a0ffc0e11d93636eaf8cf55 [1,0,0,1,0,0|2,0,0]=4 9921 B11R1.235 CCC(=O)COC[C@@H]1C[C@H]1C 5076f695763d741c90399d9af64b3868 [1,0,0,1,0,0|2,0,0]=4 9922 B11R1.235 CCC(=O)COC[C@H]1C[C@@H]1C 613029eceb61cc9d4d3840b704651bd1 [1,0,0,1,0,0|2,0,0]=4 9923 B11R1.235 CCC(=O)OCNC1CC1C 644da267049d5b708bb3cedeecd660b4 [1,0,0,1,0,0|1,0,0]=3 9924 B11R1.235 CCC(=O)OCN[C@@H]1C[C@H]1F 27d5ae84d4fbfa9da8f2328f11f93f77 [1,0,0,1,0,0|2,0,0]=4 9925 B11R1.235 CCC(=O)OCN[C@H]1C[C@@H]1F 731f4a2b7be5e854f0eed746dd43db0e [1,0,0,1,0,0|2,0,0]=4 9926 B11R1.235 CCC(=O)OCN[C@H]1C[C@H]1F 2d6158952590e680ff56b53e43b13a40 [1,0,0,1,0,0|2,0,0]=4 9927 B11R1.235 COC(=O)OCNC1CC1C 2ad71e09a667bf38156f653e8a8bfb31 [1,0,0,1,0,0|2,0,0]=4 9928 B11R1.236 CCC(=O)CNCC1CCC1 183f4109e6d944e22d20d309357e6d59 [1,0,0,1,0,0|2,0,0]=4 9929 B11R1.236 CCC(=O)COCC1CCC1 5f486bb50acd63102a1f476c945f55d9 [1,0,0,1,0,0|2,0,0]=4 9930 B11R1.236 CCC(=O)NCCC1CCC1 424ecc43df8cb195dcf80d34a2290143 [1,0,0,1,0,0|1,0,0]=3 9931 B11R1.236 CCC(=O)NCCC1CCO1 1c5c180df930aff8d65a8590b771e4f7 [1,0,0,1,0,0|2,0,0]=4 9932 B11R1.236 CCC(=O)NCCC1COC1 3c9c85d1eea86d9737eb9ddd790ac65e [1,0,0,1,0,0|2,0,0]=4 9933 B11R1.236 CCC(=O)NCCN1CCC1 d684be5be3fc7d63c571e250661eb9a7 [1,0,0,1,0,0|2,0,0]=4 9934 B11R1.236 CCC(=O)NCC[C@@H]1CCO1 3f7d2d87abb674b6849ac47bf6e904c7 [1,0,0,1,0,0|2,0,0]=4 9935 B11R1.236 CCC(=O)OCNC1CCC1 6178da29b3ca0f634ea9ab677e1cdc3b [1,0,0,1,0,0|1,0,0]=3 9936 B11R1.236 CCC(=O)OCNC1COC1 d273fc226db08d7a025f62887fd950e8 [1,0,0,1,0,0|2,0,0]=4 9937 B11R1.236 CCC(=O)OCOC1CCC1 b0693e1f9834616d9c4fe44a72dc7190 [1,0,0,1,0,0|1,0,0]=3 9938 B11R1.236 CCC(=O)OCOC1COC1 0caaef2595d02a1719907612f02d238d [1,0,0,1,0,0|2,0,0]=4 9939 B11R1.236 CCC(=O)OCOC1CSC1 782de219f5f6d1bf349393c0edc421bd [1,0,0,1,0,0|2,0,0]=4 9940 B11R1.236 CCC(C)OCCC1CCC1 c6c7f08abd77b066f97963021774cf0f [1,0,0,1,0,0|1,0,1]=4 9941 B11R1.236 CC[C@@H](C)OCCC1CCC1 a812185f233b58de54bb67d457c08a0a [1,0,0,1,0,0|1,0,1]=4 9942 B11R1.236 CC[C@H](C)OCCC1CCC1 bb61ce69638a26a69dfe03a3ae1e8ceb [1,0,0,1,0,0|1,0,1]=4 9943 B11R1.236 COC(=O)OCNC1CCC1 aff8c84d820034a3388284a9ef90a527 [1,0,0,1,0,0|2,0,0]=4 9944 B11R1.236 COC(=O)OCOC1CCC1 2dc207e9753dd047a880f8af9f9fc760 [1,0,0,1,0,0|2,0,0]=4 9945 B11R1.236 O=C(CF)NCCC1CCC1 93ac7660ba92dd821ffd2cbfdf149f6d [1,0,0,1,0,0|2,0,0]=4 9946 B11R1.236 O=C(CO)NCCC1CCC1 f59f4eeda3cb1582dbdb1bc5045760ec [1,0,0,1,0,0|2,0,0]=4 9947 B11R1.236 O=C(CS)NCCC1CCC1 2a1a335d53f0369faed0802aa31a6611 [1,0,0,1,0,0|2,0,0]=4 9948 B11R1.237 CCC(=O)CNCCC1CC1 a885a7fe4a477980dbdc20e8f12a39e8 [1,0,0,1,0,0|2,0,0]=4 9949 B11R1.237 CCC(=O)COCCC1CC1 83ada89a33409d434e0ff3981e71343e [1,0,0,1,0,0|2,0,0]=4 9950 B11R1.237 CCC(=O)NCCNC1CC1 c11d43882c7255aab965fb9b0283789e [1,0,0,1,0,0|2,0,0]=4 9951 B11R1.237 CCC(=O)NCCOC1CC1 222abf03812b552b303d49d6f6d7b290 [1,0,0,1,0,0|2,0,0]=4 9952 B11R1.237 CCC(=O)OCCOC1CC1 0edf8fa417b2cc16897743808c4a9552 [1,0,0,1,0,0|1,0,0]=3 9953 B11R1.237 CCC(=O)OCNCC1CC1 a92e7e772187ba05103d48a4209f5629 [1,0,0,1,0,0|1,0,0]=3 9954 B11R1.237 CCC(=O)OCOCC1CC1 b37ea5bb71dbf18ba2597a44792ddd61 [1,0,0,1,0,0|1,0,0]=3 9955 B11R1.237 CCC(C)OCCCC1CC1 31e24402517ebd92aa55a06815947a72 [1,0,0,1,0,0|1,0,1]=4 9956 B11R1.237 COC(=O)OCCOC1CC1 dcfcb2cf70b06d0935ce2516c06ad540 [1,0,0,1,0,0|2,0,0]=4 9957 B11R1.237 COC(=O)OCNCC1CC1 0774278246b758d31975d94dc3fac553 [1,0,0,1,0,0|2,0,0]=4 9958 B11R1.237 COC(=O)OCOCC1CC1 6f650c75d4f1bdbe126e93a1dfc77e0a [1,0,0,1,0,0|2,0,0]=4 9959 B11R1.255 CCC(=O)NCC1CC1CO 0aae466cb1dd24e9fad227372103c5a7 [1,0,0,1,0,0|2,0,0]=4 9960 B11R1.272 CCC(=O)CN1CCC1CC 0df9390c0793c24301319f1b09428d60 [1,0,0,1,0,0|2,0,0]=4 9961 B11R1.272 CCC(=O)NC1CCC1OC e7285f16d1d5dbd47997b628016d1378 [1,0,0,1,0,0|2,0,0]=4 9962 B11R1.272 CCC(=O)N[C@@H]1CC[C@@H]1OC d9f4964db7ec69354b764cc67fe5d6e6 [1,0,0,1,0,0|2,0,0]=4 9963 B11R1.272 CCC(=O)N[C@@H]1CC[C@H]1OC 406ec9297b0387d64c35765792c90ee7 [1,0,0,1,0,0|2,0,0]=4 9964 B11R1.272 CCC(=O)N[C@H]1CC[C@@H]1OC 590e3059730ce6ee85e93dfc686f563e [1,0,0,1,0,0|2,0,0]=4 9965 B11R1.272 CCC(=O)N[C@H]1CC[C@H]1OC 150c5a1082953ed5314588ea5763b42d [1,0,0,1,0,0|2,0,0]=4 9966 B11R1.381 CCN1CCCNC(=O)[C@@H]1C 3128feb898826952823b81b1f34d091e [1,0,0,1,0,0|2,0,0]=4 9967 B11R1.381 CCN1CCCNC(=O)[C@H]1C 24151d8bbc54e9fc0da1b8abf81a3834 [1,0,0,1,0,0|2,0,0]=4 9968 B11R1.852 CCC(=O)N1CCCCCC1 ad10cabe38a2ba06b9fbc202cc4d0017 [1,0,0,1,0,0|1,0,0]=3 9969 B11R1.852 CCC(=O)N1CCCOCC1 73461dfd41208a3bd9e9ede4249daf39 [1,0,0,1,0,0|2,0,0]=4 9970 B11R1.852 O=C(CF)N1CCCCCC1 1c95e42af8af133957704485dc4da987 [1,0,0,1,0,0|2,0,0]=4 9971 B11R1.852 O=C(CO)N1CCCCCC1 d1c31dd67819daac890df5180aa87f09 [1,0,0,1,0,0|2,0,0]=4 9972 B11R1.852 O=C(CS)N1CCCCCC1 14f03e05a0fe91a27efd6a0d4c9ca632 [1,0,0,1,0,0|2,0,0]=4 9973 B13R1.6 CCCCCCN1CCCC(=O)C1 bb46bfa9e79877aff95a0f89ed3859de [0,1,0,1,0,0|1,0,0]=3 9974 B13R1.6 CCCCCCN1CCNC(=O)C1 cba30a18a294b3be9b1786db2936a1b7 [0,1,0,1,0,0|2,0,0]=4 9975 B13R1.6 CCCCCCN1CCOC(=O)C1 cd0966c31e6bdf74c976738e13f992c9 [0,1,0,1,0,0|2,0,0]=4 9976 B13R1.6 CCCCCNC1CCCC(=O)C1 f4adbee4bc7bf8035cf9711c7c626d81 [0,1,0,1,0,0|1,0,0]=3 9977 B13R1.6 CCCCCNC1CCNC(=O)C1 e04038718dd4f2f9e9bd4ebd0255a2c7 [0,1,0,1,0,0|2,0,0]=4 9978 B13R1.6 CCCCCN[C@@H]1CCNC(=O)C1 38fd456ebf490860fe1435a07a9718c2 [0,1,0,1,0,0|2,0,0]=4 9979 B13R1.6 CCCCCN[C@H]1CCNC(=O)C1 461276802aa006b642135abfe75c0e82 [0,1,0,1,0,0|2,0,0]=4 9980 B13R1.6 CCCCCOC1=CC(=O)CCC1 9cc40e8a9c314872c6e6f7594414cf08 [0,1,0,1,0,0|1,0,1]=4 9981 B13R1.6 CCCCCOC1C=C(CCC1)C 6687f86ea76eb81b9e5b003f88e2cf35 [0,1,0,1,0,0|2,0,0]=4 9982 B13R1.6 CCCCCOC1CCCC(=O)C1 4c0bf9a524c1874a0dd45767b0c699db [0,1,0,1,0,0|1,0,0]=3 9983 B13R1.6 CCCCCOC1CCNC(=O)C1 3eb8c4c432c76c93aeb3dda6f0e3d100 [0,1,0,1,0,0|2,0,0]=4 9984 B13R1.6 CCCCCO[C@@H]1CCNC(=O)C1 0eaa272342bc06c80b66ad8eb4ebfe53 [0,1,0,1,0,0|2,0,0]=4 9985 B13R1.6 CCCCCO[C@H]1CCNC(=O)C1 032baab9860ea188cadcf13391bc3802 [0,1,0,1,0,0|2,0,0]=4 9986 B13R1.6 CCCCNCC1CCCC(=O)N1 89482884f60a8de78f6ebb72c45d0beb [0,1,0,1,0,0|1,0,0]=3 9987 B13R1.6 CCCCNCC1CCNC(=O)C1 8b747b7ff244d5fdcc29e8627a73cc84 [0,1,0,1,0,0|2,0,0]=4 9988 B13R1.6 CCCCOCC1CCCC(=O)C1 4237d4e470698d994b85f6ae2b60d298 [0,1,0,1,0,0|1,0,0]=3 9989 B13R1.6 CCCCOCC1CCCC(=O)N1 babe5f789fdc20f812570a13c2b04c6c [0,1,0,1,0,0|1,0,0]=3 9990 B13R1.6 CCCCOCC1CCNC(=O)C1 c379e0800acfb4f42f494870035e3f83 [0,1,0,1,0,0|2,0,0]=4 9991 B13R1.6 CCCCOCC1COCC(=O)N1 6ed7641dd6e04ce6432845f698bc7eb2 [0,1,0,1,0,0|2,0,0]=4 9992 B13R1.6 CCCCOCN1CCCC(=O)C1 4d03baba74306d3bae698ed67ca43eea [0,1,0,1,0,0|2,0,0]=4 9993 B13R1.6 CCCCOC[C@@H]1CCCC(=O)N1 7083870063003620c1c86e04d1fdc8b7 [0,1,0,1,0,0|1,0,0]=3 9994 B13R1.6 CCCCOC[C@@H]1COCC(=O)N1 0f7bb28bfa8a5a32de5ac3b0ef070216 [0,1,0,1,0,0|2,0,0]=4 9995 B13R1.6 CCCCOC[C@H]1CCCC(=O)N1 0c12a9d68e4ce050b7f5e6d8f632c068 [0,1,0,1,0,0|1,0,0]=3 9996 B13R1.6 CCCCOC[C@H]1COCC(=O)N1 013a454a0b70e76a8617fe8ebcbd5350 [0,1,0,1,0,0|2,0,0]=4 9997 B13R1.6 CCCOCCN1CCCC(=O)C1 fabc8b1ea3236eef95756d7605d4bc4d [0,1,0,1,0,0|2,0,0]=4 9998 B13R1.6 CCOCCCN1CCCC(=O)C1 9987c70c7e3636b221e70a918c666fdd [0,1,0,1,0,0|2,0,0]=4 9999 B13R1.6 CCOCCNC1CCCC(=O)C1 75c6092c0ac04fdab970b9d90a8ac61b [0,1,0,1,0,0|2,0,0]=4 10000 B13R1.6 CCOCCOC1CCCC(=O)C1 3534990cb10c93a819eb5e25d3c36930 [0,1,0,1,0,0|2,0,0]=4 10001 B13R1.6 CCOCOCC1CCCC(=O)N1 b36c6454acb54fa8f161e545fd0c0b57 [0,1,0,1,0,0|2,0,0]=4 10002 B13R1.6 CCOCOC[C@@H]1CCCC(=O)N1 2389dd99ab5bf1034543bebe327e86a4 [0,1,0,1,0,0|2,0,0]=4 10003 B13R1.6 CCOCOC[C@H]1CCCC(=O)N1 11a3261f01d497ee2528f8a8f170959e [0,1,0,1,0,0|2,0,0]=4 10004 B13R1.6 CCSCCCN1CCCC(=O)C1 34e257a715b2732437fcacd00e10b100 [0,1,0,1,0,0|2,0,0]=4 10005 B13R1.6 CCSCCNC1CCCC(=O)C1 af39879b89a6cfd4af1b67c02747d87a [0,1,0,1,0,0|2,0,0]=4 10006 B13R1.6 CCSCCOC1CCCC(=O)C1 640520d65d3b943c19344911879068d7 [0,1,0,1,0,0|2,0,0]=4 10007 B13R1.6 COCCCCN1CCCC(=O)C1 55380fd52436188b45fc5614b2c20959 [0,1,0,1,0,0|2,0,0]=4 10008 B13R1.6 COCCCOC1CCCC(=O)C1 3f03a4cf5c8985e60e3c0a9682c48fca [0,1,0,1,0,0|2,0,0]=4 10009 B13R1.6 COCCNCC1CCCC(=O)N1 e7065181242d04ded4a5fca5bf00f088 [0,1,0,1,0,0|2,0,0]=4 10010 B13R1.6 COCCOCC1CCCC(=O)C1 94b90bb3205066f82fb7729c4bd8bddf [0,1,0,1,0,0|2,0,0]=4 10011 B13R1.6 COCCOCC1CCCC(=O)N1 0bbe72f886d24bfe7a243b1790923eac [0,1,0,1,0,0|2,0,0]=4 10012 B13R1.6 COCCOC[C@@H]1CCCC(=O)N1 ea481d53817c167eb549eac1f03931c6 [0,1,0,1,0,0|2,0,0]=4 10013 B13R1.6 COCCOC[C@H]1CCCC(=O)N1 bdb9806699a847310ee0f8163e17f93a [0,1,0,1,0,0|2,0,0]=4 10014 B13R1.6 CSCCCNC1CCCC(=O)C1 786bd7d855123bab4f8840cc583e4b88 [0,1,0,1,0,0|2,0,0]=4 10015 B13R1.6 CSCCCOC1CCCC(=O)C1 d7d2d11ca64b8050646e881c22651f39 [0,1,0,1,0,0|2,0,0]=4 10016 B13R1.6 CSCCNCC1CCCC(=O)N1 5863c36b84af7a3fe2e90770aafe198c [0,1,0,1,0,0|2,0,0]=4 10017 B13R1.6 CSCCOCC1CCCC(=O)C1 5021c81ebcae88823c43327542384d67 [0,1,0,1,0,0|2,0,0]=4 10018 B13R1.6 CSCCOCC1CCCC(=O)N1 5fd4a27502eb9ec9baf13f45509891af [0,1,0,1,0,0|2,0,0]=4 10019 B13R1.6 CSCCOC[C@@H]1CCCC(=O)N1 fc62e7cbaf7a9853f1e03ce83149751c [0,1,0,1,0,0|2,0,0]=4 10020 B13R1.6 CSCCOC[C@H]1CCCC(=O)N1 0c5d130a157b4884b1952d3a35929cb6 [0,1,0,1,0,0|2,0,0]=4 10021 B13R1.6 O=C1CCCC(C1)COCCCF c7f75cc7c4f9f7af7ffcd8d165c3950a [0,1,0,1,0,0|2,0,0]=4 10022 B13R1.6 O=C1CCCC(C1)COCCCS 19a26f2853fb8870e99c651b808f6245 [0,1,0,1,0,0|2,0,0]=4 10023 B13R1.6 O=C1CCCC(C1)NCCCCCl 43a9b6d85338ebfc9ff7b29d04f7fefd [0,1,0,1,0,0|2,0,0]=4 10024 B13R1.6 O=C1CCCC(C1)NCCCCO 5c46b5b5a972bfeb629c050e182256cf [0,1,0,1,0,0|2,0,0]=4 10025 B13R1.6 O=C1CCCC(C1)NCCCCS 73833f9a18322327698df60596719aeb [0,1,0,1,0,0|2,0,0]=4 10026 B13R1.6 O=C1CCCC(C1)OCCCCF 367bc3dc5f80a875f4f3ea8f664a5182 [0,1,0,1,0,0|2,0,0]=4 10027 B13R1.6 O=C1CCCC(C1)OCCCCS f0be88b2d9706bd9201ba73c481994e5 [0,1,0,1,0,0|2,0,0]=4 10028 B13R1.6 O=C1CCCC(N1)CNCCCF f53f10aa1cbfce0d4a0931a2025f662c [0,1,0,1,0,0|2,0,0]=4 10029 B13R1.6 O=C1CCCC(N1)CNCCCO 661a863269cd5252cc2d9d45e7312ccb [0,1,0,1,0,0|2,0,0]=4 10030 B13R1.6 O=C1CCCC(N1)CNCCCS db4e820dbbb8ddb37ac345eb41b1f304 [0,1,0,1,0,0|2,0,0]=4 10031 B13R1.6 O=C1CCCC(N1)COCCCF c996d56a857f0ea0f4441f233e7b3529 [0,1,0,1,0,0|2,0,0]=4 10032 B13R1.6 O=C1CCCC(N1)COCCCS e00616ae3361513ca0f518994259e1b7 [0,1,0,1,0,0|2,0,0]=4 10033 B13R1.6 O=C1CCCN(C1)CCCCCF bf13cb4febea9878baca0d719e14030d [0,1,0,1,0,0|2,0,0]=4 10034 B13R1.6 O=C1CCCN(C1)CCCCCO 788f303b80eadf267d8ea99cd22f64bc [0,1,0,1,0,0|2,0,0]=4 10035 B13R1.6 O=C1CCC[C@@H](N1)COCCCF 59d2fca4aeb7048ef34c8540b72af3fc [0,1,0,1,0,0|2,0,0]=4 10036 B13R1.6 O=C1CCC[C@@H](N1)COCCCS 12332eb098733c739d23b9a78cdd2d27 [0,1,0,1,0,0|2,0,0]=4 10037 B13R1.6 O=C1CCC[C@H](N1)COCCCF 045330a8ac4072af6ec6b66dbbadc117 [0,1,0,1,0,0|2,0,0]=4 10038 B13R1.6 O=C1CCC[C@H](N1)COCCCS 2c4426c5e5278c12103aef5e655b87ae [0,1,0,1,0,0|2,0,0]=4 10039 B13R1.42 CCCC(=O)CNC1CCCOC1 af397dbcf231999291578128b2c13111 [0,1,0,1,0,0|2,0,0]=4 10040 B13R1.42 CCCC(=O)CNC1CCOCC1 4239b2a727fe5e24a67de5b868f4d1c0 [0,1,0,1,0,0|2,0,0]=4 10041 B13R1.42 CCCC(=O)CNC1CCSCC1 bf190084d161a4be9da100fabd57835d [0,1,0,1,0,0|2,0,0]=4 10042 B13R1.42 CCCC(=O)CN[C@@H]1CCCOC1 e2f53cdd432734bf3d2714107a423aad [0,1,0,1,0,0|2,0,0]=4 10043 B13R1.42 CCCC(=O)CN[C@H]1CCCOC1 2acde4f8ca77b43789880892ed58232d [0,1,0,1,0,0|2,0,0]=4 10044 B13R1.42 CCCC(=O)COC1C=CCCC1 6569109271af30c7f5b9701055f32167 [0,1,0,1,0,0|0,0,2]=4 10045 B13R1.42 CCCC(=O)COC1CC=CCC1 e06a2a6bd299f203b41ac2060e699977 [0,1,0,1,0,0|0,0,2]=4 10046 B13R1.42 CCCC(=O)COC1CCCCC1 c58094bed5f5492e909817d78b64cf2b [0,1,0,1,0,0|0,0,0]=2 10047 B13R1.42 CCCC(=O)COC1CCCCO1 a32ac0feb8e185eed9db8e85bcecb338 [0,1,0,1,0,0|1,0,0]=3 10048 B13R1.42 CCCC(=O)COC1CCCOC1 1af5d638a645679008be71e8ffdcb105 [0,1,0,1,0,0|1,0,0]=3 10049 B13R1.42 CCCC(=O)COC1CCCSC1 092d72227365cd2dd1b17b0ac422e1da [0,1,0,1,0,0|1,0,0]=3 10050 B13R1.42 CCCC(=O)COC1CCOCC1 70cd893975c934fd7524fb643063f988 [0,1,0,1,0,0|1,0,0]=3 10051 B13R1.42 CCCC(=O)COC1CCSCC1 fb40dc889c73c6f863adfedbc7fe3fef [0,1,0,1,0,0|1,0,0]=3 10052 B13R1.42 CCCC(=O)CO[C@@H]1CCCOC1 db30755d3729a9d6b58d37ed57d7f7bf [0,1,0,1,0,0|1,0,0]=3 10053 B13R1.42 CCCC(=O)CO[C@H]1CCCOC1 2703596e68e9055a23d74ca0cf4ae37c [0,1,0,1,0,0|1,0,0]=3 10054 B13R1.42 CCCC(=O)NCC1=CCCCC1 c5ee16a880ce57d44c6ddd90cb48f25c [0,1,0,1,0,0|1,0,1]=4 10055 B13R1.42 CCCC(=O)NCC1CC=CCC1 12be34d22442fb10bd1a5ded3ba31ed7 [0,1,0,1,0,0|1,0,1]=4 10056 B13R1.42 CCCC(=O)NCC1CCCCC1 59b0c8cf3d107cd6e9dc3ad64411b33f [0,1,0,1,0,0|1,0,0]=3 10057 B13R1.42 CCCC(=O)NCC1CCCCO1 df1714756174a1120fa300610cfcd7af [0,1,0,1,0,0|1,0,0]=3 10058 B13R1.42 CCCC(=O)NCC1CCCOC1 ac3600b0ff9b9e8fb1374777f901793b [0,1,0,1,0,0|1,0,0]=3 10059 B13R1.42 CCCC(=O)NCC1CCOCC1 e599d9ef53656fc3c78d83244efc1955 [0,1,0,1,0,0|1,0,0]=3 10060 B13R1.42 CCCC(=O)NCC1CCSCC1 4e9b9ecc3b1bfa45e079a2731055a416 [0,1,0,1,0,0|1,0,0]=3 10061 B13R1.42 CCCC(=O)NCC1COCCO1 4b3889350c53d27478d8a1cfce1b6f89 [0,1,0,1,0,0|2,0,0]=4 10062 B13R1.42 CCCC(=O)NC[C@@H]1CCCOC1 8a0daad8a060e7b69c2a7aa99a2e0665 [0,1,0,1,0,0|1,0,0]=3 10063 B13R1.42 CCCC(=O)NC[C@H]1CCCOC1 69ddaac84ff58be7a590029cd7eb5243 [0,1,0,1,0,0|1,0,0]=3 10064 B13R1.42 CCCC(=O)NC[C@H]1COCCO1 37b571ff2bf4e8f441dac591c1ffc8c8 [0,1,0,1,0,0|2,0,0]=4 10065 B13R1.42 CCCC(=O)OCN1CC=CCC1 76819435715eef14a19a83d27c03dbe6 [0,1,0,1,0,0|0,0,2]=4 10066 B13R1.42 CCCC(=O)OCN1CCCOC1 b5dae6b5822b9b89e1d1b0890a9d803f [0,1,0,1,0,0|1,0,0]=3 10067 B13R1.42 CCCC(=O)OCN1CCCSC1 0e6788b80f43cb7d34382259a5f11fbb [0,1,0,1,0,0|1,0,0]=3 10068 B13R1.42 CCCC(=O)OCN1CCOCC1 0f841d2b166e2910b3c31a8ba4824608 [0,1,0,1,0,0|1,0,0]=3 10069 B13R1.42 CCCC(=O)OCN1CCSCC1 87acf1ce4a6baae51b21e5cf02ea6c20 [0,1,0,1,0,0|1,0,0]=3 10070 B13R1.42 CCCC(=S)OCC1=CCCCC1 b3c71bd008b8250e00253a4a3ee4c4e5 [0,1,0,1,0,0|0,1,1]=4 10071 B13R1.42 CCCC(=S)OCC1CC=CCC1 9cd6f68431b5a2d85edf96e088a77597 [0,1,0,1,0,0|0,1,1]=4 10072 B13R1.42 CCCC(=S)OCC1CCCCC1 8683bea1dccdfbd48602a3b60ab7a997 [0,1,0,1,0,0|0,1,0]=3 10073 B13R1.42 CCCC(=S)OCC1CCCCO1 40459cb618b121d1cba8181437cd8856 [0,1,0,1,0,0|0,1,0]=3 10074 B13R1.42 CCCC(=S)OCC1CCCOC1 51320a54aa3c7d8f15e6409f4c55af1a [0,1,0,1,0,0|0,1,0]=3 10075 B13R1.42 CCCC(=S)OCC1CCOCC1 c957b0111362e7a29f2d794a5213d0cb [0,1,0,1,0,0|0,1,0]=3 10076 B13R1.42 CCCC(=S)OCC1CCSCC1 e9e4f98b37e0095122b0a68085669721 [0,1,0,1,0,0|0,1,0]=3 10077 B13R1.42 CCCC(=S)OCC1COCCO1 dbced04586e9abdbb9238f3156de0c1f [0,1,0,1,0,0|1,1,0]=4 10078 B13R1.42 CCCC(C)COC1CCCCC1 b8c68c3732e699956ddbf8ccf9d3bd7f [0,1,0,1,0,0|1,0,1]=4 10079 B13R1.42 CCCC(C)OCC1CCCCC1 6048d01f2ae0d889b3ac438192667bb5 [0,1,0,1,0,0|1,0,1]=4 10080 B13R1.42 CCCC(C)OCC1CCCCO1 347271c2c9d8667803fb24459feb7631 [0,1,0,1,0,0|1,0,1]=4 10081 B13R1.42 CCCC(C)OCC1CCCOC1 804d664aa8999afeabdb7d9061066896 [0,1,0,1,0,0|1,0,1]=4 10082 B13R1.42 CCCC(C)OCC1CCOCC1 0c973ebb6e5238f2c15b9bd9ffb0633c [0,1,0,1,0,0|1,0,1]=4 10083 B13R1.42 CCCC(C)OCC1CCSCC1 a524270387b2f3200ff1db92ef7e847c [0,1,0,1,0,0|1,0,1]=4 10084 B13R1.42 CCCC(C)OC[C@@H]1CCCCO1 e9e61482053826b8243619f4023d40ec [0,1,0,1,0,0|1,0,1]=4 10085 B13R1.42 CCCC(C)OC[C@@H]1CCCOC1 3893fb780e2a9f270dc08eac6aa706f5 [0,1,0,1,0,0|1,0,1]=4 10086 B13R1.42 CCCC(C)OC[C@H]1CCCCO1 d348f30bbe1f8289be409adf7bb96241 [0,1,0,1,0,0|1,0,1]=4 10087 B13R1.42 CCCC(C)OC[C@H]1CCCOC1 e269481617fa4b5a2519026462950b4d [0,1,0,1,0,0|1,0,1]=4 10088 B13R1.42 CCCN(C)COC1CCCCC1 4ef20377e931216951c48f7eb2e86e7f [0,1,0,1,0,0|2,0,0]=4 10089 B13R1.42 CCC[C@@H](C)OCC1CCCCC1 c2cf713e187e56641119219114abe9da [0,1,0,1,0,0|1,0,1]=4 10090 B13R1.42 CCC[C@@H](C)OCC1CCCCO1 d0f9ba8b22a630a1a085ee8e90db6c0f [0,1,0,1,0,0|1,0,1]=4 10091 B13R1.42 CCC[C@@H](C)OCC1CCCOC1 a15e4da226898a8b64d607dfbed8859b [0,1,0,1,0,0|1,0,1]=4 10092 B13R1.42 CCC[C@@H](C)OCC1CCOCC1 2de9f92d477f187b2fa22bc51937427a [0,1,0,1,0,0|1,0,1]=4 10093 B13R1.42 CCC[C@@H](C)OCC1CCSCC1 dda845ec78cd5e97d12273a53cd4d37a [0,1,0,1,0,0|1,0,1]=4 10094 B13R1.42 CCC[C@H](C)OCC1CCCCC1 5cca57888c2e6cf0dde038f2a5bbd0ca [0,1,0,1,0,0|1,0,1]=4 10095 B13R1.42 CCC[C@H](C)OCC1CCCCO1 8034cab91c5971951026532bef133dfc [0,1,0,1,0,0|1,0,1]=4 10096 B13R1.42 CCC[C@H](C)OCC1CCCOC1 45214dbafd58612ba22635047108fd6a [0,1,0,1,0,0|1,0,1]=4 10097 B13R1.42 CCC[C@H](C)OCC1CCOCC1 11e867fb773b009d165847abb667a5b8 [0,1,0,1,0,0|1,0,1]=4 10098 B13R1.42 CCC[C@H](C)OCC1CCSCC1 95d93f42e35424f19a79a96ceffcf578 [0,1,0,1,0,0|1,0,1]=4 10099 B13R1.42 CCNC(=O)CNC1CCCCC1 0cb9354151f56438218dee3df10aac2e [0,1,0,1,0,0|2,0,0]=4 10100 B13R1.42 CCNC(=O)COC1CCCCC1 9fab799d54941b78d5c4ebe97e770644 [0,1,0,1,0,0|1,0,0]=3 10101 B13R1.42 CCNC(=O)COC1CCCCO1 d7952717f4ce5c2fc6d809f93118e136 [0,1,0,1,0,0|2,0,0]=4 10102 B13R1.42 CCNC(=O)COC1CCCOC1 ecf8faf0648c77404583e72c839e8938 [0,1,0,1,0,0|2,0,0]=4 10103 B13R1.42 CCNC(=O)COC1CCCSC1 93de5bf5a778c63ceccdf3ed494a237e [0,1,0,1,0,0|2,0,0]=4 10104 B13R1.42 CCNC(=O)COC1CCOCC1 a4180c3b7eb12f3a677bb3366403a62a [0,1,0,1,0,0|2,0,0]=4 10105 B13R1.42 CCNC(=O)COC1CCSCC1 53364fbacfb05581845fea8dc67418ac [0,1,0,1,0,0|2,0,0]=4 10106 B13R1.42 CCNC(=O)CO[C@@H]1CCCOC1 982ff9a5562f11ad931dfa53ea14b272 [0,1,0,1,0,0|2,0,0]=4 10107 B13R1.42 CCNC(=O)CO[C@H]1CCCOC1 7374ba782aa29f94dc1cbccc3f2644b3 [0,1,0,1,0,0|2,0,0]=4 10108 B13R1.42 CCOC(=O)CNC1CCCCC1 16f54310e993370e2e1d3a832339ce63 [0,1,0,1,0,0|2,0,0]=4 10109 B13R1.42 CCOC(=O)COC1CCCCC1 05ac9ffc5ce4489fae0e01beb476e9fc [0,1,0,1,0,0|1,0,0]=3 10110 B13R1.42 CCOC(=O)COC1CCCCO1 4a746dee98bf248e9802f49e141ae8c9 [0,1,0,1,0,0|2,0,0]=4 10111 B13R1.42 CCOC(=O)COC1CCCOC1 bc2ba4a68a1cd320da0e56f2b1b10d8f [0,1,0,1,0,0|2,0,0]=4 10112 B13R1.42 CCOC(=O)COC1CCCSC1 a3a7984afb08e294a27b06886c1752af [0,1,0,1,0,0|2,0,0]=4 10113 B13R1.42 CCOC(=O)COC1CCOCC1 6373a847f7cba8b68e978aa47f4d8889 [0,1,0,1,0,0|2,0,0]=4 10114 B13R1.42 CCOC(=O)COC1CCSCC1 4c771256f4898f1e4d6a9b2e2bdd373a [0,1,0,1,0,0|2,0,0]=4 10115 B13R1.42 CCOC(=O)CO[C@@H]1CCCOC1 c30ea1447a2dbbf9f445c370ff92a87d [0,1,0,1,0,0|2,0,0]=4 10116 B13R1.42 CCOC(=O)CO[C@H]1CCCOC1 6822f6dfe16fa7120e401058c9646a5b [0,1,0,1,0,0|2,0,0]=4 10117 B13R1.42 CCOC(=O)OCN1CCCOC1 928df74b0b199b52a38a04685208592e [0,1,0,1,0,0|2,0,0]=4 10118 B13R1.42 CCOC(=O)OCN1CCCSC1 824e867a84b4bdf0c76a043b6e134a41 [0,1,0,1,0,0|2,0,0]=4 10119 B13R1.42 CCOC(=O)OCN1CCOCC1 ac8ea41adabb36186350e8cd2399ee82 [0,1,0,1,0,0|2,0,0]=4 10120 B13R1.42 CCOC(=O)OCN1CCSCC1 7f26ef680c29bd29e5ac83b0a0a2a08b [0,1,0,1,0,0|2,0,0]=4 10121 B13R1.42 CCSC(=O)OCN1CCCOC1 c216a77ed77435b07be97396d5abf322 [0,1,0,1,0,0|2,0,0]=4 10122 B13R1.42 CCSC(=O)OCN1CCCSC1 c85ece9ab590b0f3d03f5e47203c606a [0,1,0,1,0,0|2,0,0]=4 10123 B13R1.42 CCSC(=O)OCN1CCOCC1 e8df0dcd7b271998578b3d2beefccde9 [0,1,0,1,0,0|2,0,0]=4 10124 B13R1.42 CCSC(=O)OCN1CCSCC1 436d320acfbb29526b425182e2e39e46 [0,1,0,1,0,0|2,0,0]=4 10125 B13R1.42 COCC(=O)COC1CCCCC1 9f16844a443a9c1d37a607df6669585d [0,1,0,1,0,0|1,0,0]=3 10126 B13R1.42 COCC(=O)COC1CCCCO1 1f8a286df220a06cc1d6aee76ad16bad [0,1,0,1,0,0|2,0,0]=4 10127 B13R1.42 COCC(=O)COC1CCCOC1 df39e028fd568665ff87e04e4671b644 [0,1,0,1,0,0|2,0,0]=4 10128 B13R1.42 COCC(=O)COC1CCOCC1 a462fce199bcb8f27ae58be0ae7e8eee [0,1,0,1,0,0|2,0,0]=4 10129 B13R1.42 COCC(=O)CO[C@@H]1CCCOC1 4c149039aa407204ecf5afafcacee6f7 [0,1,0,1,0,0|2,0,0]=4 10130 B13R1.42 COCC(=O)CO[C@H]1CCCOC1 5d5aac08716ccc5feb51998ffcf47252 [0,1,0,1,0,0|2,0,0]=4 10131 B13R1.42 COCC(=O)NCC1CCCCC1 ad6e42bc2ef1d6829ace656e5c21cef6 [0,1,0,1,0,0|2,0,0]=4 10132 B13R1.42 COCC(=O)NCC1CCCCO1 dda92f910d9988c28f12fd56f4a1d7e0 [0,1,0,1,0,0|2,0,0]=4 10133 B13R1.42 COCC(=O)NCC1CCCOC1 0906a33310941436c322e2a22792763c [0,1,0,1,0,0|2,0,0]=4 10134 B13R1.42 COCC(=O)NCC1CCOCC1 9ddcc36755551b49fcbf9fc750775b47 [0,1,0,1,0,0|2,0,0]=4 10135 B13R1.42 COCC(=O)NCC1CCSCC1 76f8e27b743e2963850a08e823ae271c [0,1,0,1,0,0|2,0,0]=4 10136 B13R1.42 COCC(=O)NC[C@@H]1CCCOC1 ee07a29e4b079667b1641b415abd0478 [0,1,0,1,0,0|2,0,0]=4 10137 B13R1.42 COCC(=O)NC[C@H]1CCCOC1 0574954d4ebda96fdce3575c89fa6826 [0,1,0,1,0,0|2,0,0]=4 10138 B13R1.42 CSCC(=O)NCC1CCCCC1 988bcd760780281a29da94faddaae8c1 [0,1,0,1,0,0|2,0,0]=4 10139 B13R1.42 CSCC(=O)NCC1CCCCO1 426b536cb822859195261455bf4db1d5 [0,1,0,1,0,0|2,0,0]=4 10140 B13R1.42 CSCC(=O)NCC1CCCOC1 74f8e741a7035cc64e9fbd8beb32d7d1 [0,1,0,1,0,0|2,0,0]=4 10141 B13R1.42 CSCC(=O)NCC1CCOCC1 d98213ea0d26d68fb0eb06700c96cf7d [0,1,0,1,0,0|2,0,0]=4 10142 B13R1.42 CSCC(=O)NCC1CCSCC1 0d36fa3fbd74b9327a1c6f286203b55f [0,1,0,1,0,0|2,0,0]=4 10143 B13R1.42 CSCC(=O)NC[C@@H]1CCCOC1 d039b0a201fc48cc17b543896c4662c5 [0,1,0,1,0,0|2,0,0]=4 10144 B13R1.42 CSCC(=O)NC[C@H]1CCCOC1 9f8eb1e1b527d93c5bf7a593159e206c [0,1,0,1,0,0|2,0,0]=4 10145 B13R1.42 O=C(CCF)NCC1CCCCC1 e716cae20052812276d77fd52affe863 [0,1,0,1,0,0|2,0,0]=4 10146 B13R1.42 O=C(CCF)NCC1CCCCO1 f8a35830ed746c17f492427bdf4e11ba [0,1,0,1,0,0|2,0,0]=4 10147 B13R1.42 O=C(CCF)NCC1CCCOC1 7d95aac1fd9785d26c31dc6dfd0a064c [0,1,0,1,0,0|2,0,0]=4 10148 B13R1.42 O=C(CCF)NCC1CCOCC1 24763633c58582858f4c98064411abc3 [0,1,0,1,0,0|2,0,0]=4 10149 B13R1.42 O=C(CCF)NCC1CCSCC1 b82135253dba1325287cb773a2021469 [0,1,0,1,0,0|2,0,0]=4 10150 B13R1.42 O=C(CCF)NC[C@@H]1CCCOC1 7e049435b8a8c430a908c6c3290c8b63 [0,1,0,1,0,0|2,0,0]=4 10151 B13R1.42 O=C(CCF)NC[C@H]1CCCOC1 92a827774a3b3eb47bab173152e04bcf [0,1,0,1,0,0|2,0,0]=4 10152 B13R1.42 O=C(CCO)NCC1CCCCC1 f14387b7fab588f8f722f8c4ac27b758 [0,1,0,1,0,0|2,0,0]=4 10153 B13R1.42 O=C(CCO)NCC1CCCCO1 e40deac4dac46ef8a0e5bd87885f2725 [0,1,0,1,0,0|2,0,0]=4 10154 B13R1.42 O=C(CCO)NCC1CCCOC1 6496b20a68a37c29d7b9f0560176be51 [0,1,0,1,0,0|2,0,0]=4 10155 B13R1.42 O=C(CCO)NCC1CCOCC1 60ed0fdb3bc32fb65c169208f7601011 [0,1,0,1,0,0|2,0,0]=4 10156 B13R1.42 O=C(CCO)NCC1CCSCC1 baa49196f915a07bb71f3e0668df18fb [0,1,0,1,0,0|2,0,0]=4 10157 B13R1.42 O=C(CCO)NC[C@@H]1CCCOC1 7f0810a2a98d1ec4a06a107525a0107f [0,1,0,1,0,0|2,0,0]=4 10158 B13R1.42 O=C(CCO)NC[C@H]1CCCOC1 48fc0520da660cf2db6b10ce222a90b1 [0,1,0,1,0,0|2,0,0]=4 10159 B13R1.42 O=C(CCS)NCC1CCCCC1 ccfed2b32e9688355c5ba310de8ce317 [0,1,0,1,0,0|2,0,0]=4 10160 B13R1.42 O=C(CCS)NCC1CCCCO1 72d87899c53c2b5788aa9fb6f1ae66f4 [0,1,0,1,0,0|2,0,0]=4 10161 B13R1.42 O=C(CCS)NCC1CCCOC1 cb2b450d486eb79be106285cb733d4c3 [0,1,0,1,0,0|2,0,0]=4 10162 B13R1.42 O=C(CCS)NCC1CCOCC1 06d3175436618baa1003a2402be5c67a [0,1,0,1,0,0|2,0,0]=4 10163 B13R1.42 O=C(CCS)NCC1CCSCC1 85e82eae8c87580e16665da11b0f712e [0,1,0,1,0,0|2,0,0]=4 10164 B13R1.42 O=C(CCS)NC[C@@H]1CCCOC1 b12e095a215b08ed342df9bb4d7df900 [0,1,0,1,0,0|2,0,0]=4 10165 B13R1.42 O=C(CCS)NC[C@H]1CCCOC1 09c7ee11f20d77892411b57aabc095e6 [0,1,0,1,0,0|2,0,0]=4 10166 B13R1.119 CCCCCCCOC1CCCC1 0900b52f7dba44d24bcf66046bfb0b98 [0,1,0,1,0,0|1,0,1]=4 10167 B13R1.119 CCCCCCCOC1CCCO1 60d76d0a411a02d83b5db3d64f570d28 [0,1,0,1,0,0|0,0,2]=4 10168 B13R1.119 CCCCCCOCC1CCCC1 60adabe52bc394c4d362ad54059b8001 [0,1,0,1,0,0|1,0,1]=4 10169 B13R1.119 CCCCCCOCC1CCCO1 b4dfa5b9c6259abf3606cc9f3061eb2d [0,1,0,1,0,0|0,0,2]=4 10170 B13R1.119 CCCCCCOCC1CCCS1 ecbd7f02326524d76b7d368d12400170 [0,1,0,1,0,0|0,1,1]=4 10171 B13R1.119 CCCCCCOCN1CCCC1 91a9b97c815656d68d39b2a580d469ae [0,1,0,1,0,0|2,0,0]=4 10172 B13R1.119 CCCCCCOC[C@@H]1CCCO1 495aae42d801fa8da4b59dc86549f3dd [0,1,0,1,0,0|0,0,2]=4 10173 B13R1.119 CCCCCCOC[C@H]1CCCO1 29ac48e9c26dc1ca1507f8bf67191c50 [0,1,0,1,0,0|0,0,2]=4 10174 B13R1.119 CCCCCOCC=C1CCCC1 9fa7a4c87ccabf050a88e08f3aa72bc0 [0,1,0,1,0,0|2,0,0]=4 10175 B13R1.119 CCCCNCCOC1CCCC1 ebf88b4d62bf2a55e6ea07f7e084a2ea [0,1,0,1,0,0|1,0,1]=4 10176 B13R1.119 CCCCOCCOC1CCCC1 a7a3f0e8386d105c38c7fe7ad86c5243 [0,1,0,1,0,0|1,0,1]=4 10177 B13R1.119 CCCCOCCOC1CCCO1 fc5e8faf1793a45e2e71329e78d00a21 [0,1,0,1,0,0|0,0,2]=4 10178 B13R1.119 CCCCSCCOC1CCCC1 f19e8187228e5790a3e13b1ee66c1bb6 [0,1,0,1,0,0|1,0,1]=4 10179 B13R1.119 CCCNCCCOC1CCCC1 24ffe826cd954c6a292a6afe852edd69 [0,1,0,1,0,0|1,0,1]=4 10180 B13R1.119 CCCOCCCOC1CCCC1 ff2014c490f5575861fc6acde788123c [0,1,0,1,0,0|1,0,1]=4 10181 B13R1.119 CCCOCCCOC1CCCO1 60e67a3ae52ff7e33120fe0a0da5553c [0,1,0,1,0,0|0,0,2]=4 10182 B13R1.119 CCOCCCCOC1CCCO1 7d8dcc00465da4bf2d628ec185bc99d8 [0,1,0,1,0,0|0,0,2]=4 10183 B13R1.119 COCCCCCOC1CCCC1 ee84727b0e99e275887eab4f5cac829f [0,1,0,1,0,0|1,0,1]=4 10184 B13R1.119 COCCCCCOC1CCCO1 172b48bc95dbcc928c39a1e32789c4c3 [0,1,0,1,0,0|0,0,2]=4 10185 B13R1.119 FCCCCCCOC1CCCC1 9269ef10d3ab52d036a5b47f42d2a825 [0,1,0,1,0,0|1,0,1]=4 10186 B13R1.119 FCCCCCCOC1CCCO1 c2324d5959d4ddde778f0e6efd5806fd [0,1,0,1,0,0|0,0,2]=4 10187 B13R1.119 SCCCCCCOC1CCCC1 201b03da4e6352dfaa8e1cc02ef6ac5e [0,1,0,1,0,0|1,0,1]=4 10188 B13R1.190 C#CCCCOC1OC(=O)CC1C 58deb82c954c99e573b83dea22f23deb [0,1,0,1,0,0|0,0,2]=4 10189 B13R1.190 C=CCCCOC1OC(=O)CC1C db69acb502cb2d2dccf1b2481ee6ecad [0,1,0,1,0,0|0,0,2]=4 10190 B13R1.190 CC/C=C/COC1OC(=O)CC1C 5185c693bcad87fe875afdbc3fb42147 [0,1,0,1,0,0|0,0,2]=4 10191 B13R1.190 CC1CC(=O)OC1OCCCC#N d5a7d9218ccadd0be1bac3017745adf5 [0,1,0,1,0,0|1,0,1]=4 10192 B13R1.190 CC1CC(=O)OC1OCCCC=O 4cf7c44085dcbfc16561d77730157e62 [0,1,0,1,0,0|1,0,1]=4 10193 B13R1.190 CC1CC(=O)OC1OCCCCF 8f58f692e2bcdcd7c6e330bdb5a018d0 [0,1,0,1,0,0|1,0,0]=3 10194 B13R1.190 CCCCCOC1CC(=O)NC1C 245e638bf4bd1e958b41323134fdf4b7 [0,1,0,1,0,0|2,0,0]=4 10195 B13R1.190 CCCCCOC1OC(=O)C=C1C 16c1ce4bc02bdb0a7bb59de23676450a [0,1,0,1,0,0|0,0,2]=4 10196 B13R1.190 CCCCCOC1OC(=O)CC1C 09b76732ba0d4545bbc8eb9b3e28d202 [0,1,0,1,0,0|0,0,0]=2 10197 B13R1.190 CCCCCO[C@H]1CC(=O)N[C@H]1C 5c29d3dca46e2004edc31fe56d04ed00 [0,1,0,1,0,0|2,0,0]=4 10198 B13R1.190 CCOCCOC1OC(=O)CC1C 11c35ceb143d23243b7cb421c28a470b [0,1,0,1,0,0|1,0,0]=3 10199 B13R1.190 CCSCCOC1OC(=O)CC1C a5ba5cf378f47a406323b8ee9b4ff149 [0,1,0,1,0,0|1,0,0]=3 10200 B13R1.190 COCCCOC1OC(=O)CC1C 4d2a3a95841d5f830e26ba4746a4ac0c [0,1,0,1,0,0|1,0,0]=3 10201 B13R1.190 CSCCCOC1OC(=O)CC1C fff2291a273523b3429bb0048839d278 [0,1,0,1,0,0|1,0,0]=3 10202 B13R1.208 CCCC(=O)N1CC=CC1CCC f56ae6dc50907b48d850bd32797c2dcf [0,1,0,1,0,0|1,0,1]=4 10203 B13R1.208 CCCC(=O)N1CCCC1CCO 95336047e88ccd17c3b146ccce205c11 [0,1,0,1,0,0|1,0,0]=3 10204 B13R1.208 CCCC(=O)N1CCCC1COC 2e23132cdc377c01ad330d6b4714b322 [0,1,0,1,0,0|1,0,0]=3 10205 B13R1.208 CCCC(=O)N1CCCC1CSC 115220a0b7687e0376eddf46e4b184f3 [0,1,0,1,0,0|1,0,0]=3 10206 B13R1.208 CCCC(=O)N1CCC[C@@H]1CCO 059ec6f57ae7233fbaddcd4561ffdc29 [0,1,0,1,0,0|1,0,0]=3 10207 B13R1.208 CCCC(=O)N1CCC[C@@H]1COC 3114de4f9e468770242f7d2fd17cb401 [0,1,0,1,0,0|1,0,0]=3 10208 B13R1.208 CCCC(=O)N1CCC[C@H]1COC b9e0b239b8850cfeb941948a696b5fae [0,1,0,1,0,0|1,0,0]=3 10209 B13R1.208 CCCC(=O)N1CCSC1CCC 4343d829a00adfdbedd2aca5641f3367 [0,1,0,1,0,0|1,0,0]=3 10210 B13R1.208 CCCC1SCCN1C(=O)CCF 5c6b664c0f50eaa81d33012ff1b1f852 [0,1,0,1,0,0|2,0,0]=4 10211 B13R1.208 CCCC1SCCN1C(=O)CCO 99c1d85e0b04b0e4430b12f79f791d8f [0,1,0,1,0,0|2,0,0]=4 10212 B13R1.208 CCCC1SCCN1C(=O)CCS a6c1e66fbb366cb1672b533656e911d7 [0,1,0,1,0,0|2,0,0]=4 10213 B13R1.208 CCCC1SCCN1C(=O)COC 9c3f7db723f5aa8f63a76c1ae39dccc6 [0,1,0,1,0,0|2,0,0]=4 10214 B13R1.208 CCCC1SCCN1C(=O)CSC 41b2232f81c126c82173689b45b85c6d [0,1,0,1,0,0|2,0,0]=4 10215 B13R1.208 CCCN1CCCC1C(=O)NCC 4d95021f9604b7c59426e941a2303160 [0,1,0,1,0,0|2,0,0]=4 10216 B13R1.208 CCCN1CCCC1C(=O)OCC bbc0a4973c452391a5a665eba7b84e2d [0,1,0,1,0,0|2,0,0]=4 10217 B13R1.208 CCCN1CCC[C@@H]1C(=O)OCC 324462b53f94ba9d074b8788f9cd6844 [0,1,0,1,0,0|2,0,0]=4 10218 B13R1.208 CCN[C@@H]1CCC[C@@H]1C(=O)OCC 4f005a456d77cddc7d783fd0892149b7 [0,1,0,1,0,0|2,0,0]=4 10219 B13R1.208 CCN[C@@H]1CCC[C@H]1C(=O)OCC 4f0b43e7538bcd8f48c054930cffc92d [0,1,0,1,0,0|2,0,0]=4 10220 B13R1.208 CCN[C@H]1CCC[C@@H]1C(=O)OCC 4305c87297496a2db0b7ca51d7f28682 [0,1,0,1,0,0|2,0,0]=4 10221 B13R1.208 CCN[C@H]1CCC[C@H]1C(=O)OCC 3f12f49bf96e305747f743aed2739b5c [0,1,0,1,0,0|2,0,0]=4 10222 B13R1.208 CCOC(=O)C1CCCC1OCC 14f0f437d34f58f7b7a3d48cfd39bcd9 [0,1,0,1,0,0|2,0,0]=4 10223 B13R1.208 CCOC(=O)[C@@H]1CCC[C@@H]1OCC ed420d367434354c758b3b4033b50ba3 [0,1,0,1,0,0|2,0,0]=4 10224 B13R1.208 CCOC(=O)[C@@H]1CCC[C@H]1OCC f4876bc59ddf5c9a7a338ebddbfde43c [0,1,0,1,0,0|2,0,0]=4 10225 B13R1.208 COCC(=O)N1CCCC1CCO 4fa9c48fa3783e3b8e2b69c7d6d8ff37 [0,1,0,1,0,0|2,0,0]=4 10226 B13R1.208 COCC(=O)N1CCCC1COC 5aa3fa5f17802154298291c69de4ab85 [0,1,0,1,0,0|2,0,0]=4 10227 B13R1.208 COCC(=O)N1CCCC1CSC 89c96583eca59651fd8474a33f4be880 [0,1,0,1,0,0|2,0,0]=4 10228 B13R1.208 COCC(=O)N1CCC[C@@H]1CCO 04da1ff633767737f038d3f5b53223df [0,1,0,1,0,0|2,0,0]=4 10229 B13R1.208 COCC(=O)N1CCC[C@@H]1COC 752759379b805ee020b92ddc2fb693a4 [0,1,0,1,0,0|2,0,0]=4 10230 B13R1.208 COCC(=O)N1CCC[C@H]1COC 0f91b876097a93f8e7f35b8fd399670c [0,1,0,1,0,0|2,0,0]=4 10231 B13R1.208 COCC1CCCN1C(=O)CCF f8c0e6a28f45068f8150c63c695f1b99 [0,1,0,1,0,0|2,0,0]=4 10232 B13R1.208 COCC1CCCN1C(=O)CCO 2947669a005b326915152ae857fc7773 [0,1,0,1,0,0|2,0,0]=4 10233 B13R1.208 COCC1CCCN1C(=O)CCS cab34d8dc12c1b7f3bb71e0431bcab67 [0,1,0,1,0,0|2,0,0]=4 10234 B13R1.208 COCC1CCCN1C(=O)CSC b736d2bf64cd2d11e99a3e9105b882e8 [0,1,0,1,0,0|2,0,0]=4 10235 B13R1.208 COC[C@@H]1CCCN1C(=O)CCF 912754aa51c8b6cf2b9cc1b1f1cec7cd [0,1,0,1,0,0|2,0,0]=4 10236 B13R1.208 COC[C@@H]1CCCN1C(=O)CCO 6cc4f59c319bf395928b9c1a19c3d0a7 [0,1,0,1,0,0|2,0,0]=4 10237 B13R1.208 COC[C@@H]1CCCN1C(=O)CCS 3ccbd4ca429bf754bf5cc30a9cfaa517 [0,1,0,1,0,0|2,0,0]=4 10238 B13R1.208 COC[C@@H]1CCCN1C(=O)CSC da48a32cdb3de8643e3679095f8d535d [0,1,0,1,0,0|2,0,0]=4 10239 B13R1.208 COC[C@H]1CCCN1C(=O)CCF b3f8646efafa428206fe767eee9ff6a9 [0,1,0,1,0,0|2,0,0]=4 10240 B13R1.208 COC[C@H]1CCCN1C(=O)CCO c6a84a21670ff342d0364afd1b0051a1 [0,1,0,1,0,0|2,0,0]=4 10241 B13R1.208 COC[C@H]1CCCN1C(=O)CCS 5a0cbcbacd812f28d3bea9315310aaf5 [0,1,0,1,0,0|2,0,0]=4 10242 B13R1.208 COC[C@H]1CCCN1C(=O)CSC 8d1809e37c4b4348be10b552843d8b1e [0,1,0,1,0,0|2,0,0]=4 10243 B13R1.208 CSCC(=O)N1CCCC1CCO 620d66ca9c68e31d3d876eab4bd42045 [0,1,0,1,0,0|2,0,0]=4 10244 B13R1.208 CSCC(=O)N1CCCC1CSC 44df77b7457f9e8d3848d59dc28a5da5 [0,1,0,1,0,0|2,0,0]=4 10245 B13R1.208 CSCC(=O)N1CCC[C@@H]1CCO 9dcae471b20fa629babac8a1723d13d5 [0,1,0,1,0,0|2,0,0]=4 10246 B13R1.208 CSCC1CCCN1C(=O)CCF f1288d61f64dec315a78a6b539a63be2 [0,1,0,1,0,0|2,0,0]=4 10247 B13R1.208 CSCC1CCCN1C(=O)CCO b28d515d64fd5ac4e0f017de030fa961 [0,1,0,1,0,0|2,0,0]=4 10248 B13R1.208 CSCC1CCCN1C(=O)CCS 97f65b6bc99292bd376a0984b21c6137 [0,1,0,1,0,0|2,0,0]=4 10249 B13R1.208 O=C(CCF)N1CCCC1CCO 6757c37329ee0a6193474d2592584c2b [0,1,0,1,0,0|2,0,0]=4 10250 B13R1.208 O=C(CCF)N1CCC[C@@H]1CCO c5fcce37ef69eabebfff9ca97cbdf549 [0,1,0,1,0,0|2,0,0]=4 10251 B13R1.208 O=C(CCO)N1CCCC1CCO 3193195c7a158159fb473e3aa1b7284c [0,1,0,1,0,0|2,0,0]=4 10252 B13R1.208 O=C(CCO)N1CCC[C@@H]1CCO 3ba6713e2f262dcbac02eab60902f7bc [0,1,0,1,0,0|2,0,0]=4 10253 B13R1.208 O=C(CCS)N1CCCC1CCO 07fe79a5c063fb9e44a31e0d030a27e0 [0,1,0,1,0,0|2,0,0]=4 10254 B13R1.208 O=C(CCS)N1CCC[C@@H]1CCO c4a691202203d8264a1fb57b6b6e56d3 [0,1,0,1,0,0|2,0,0]=4 10255 B13R1.223 CCCC(=O)CN1CCC1CCO e1ece9265ce8f20a6331c1807f571df9 [0,1,0,1,0,0|2,0,0]=4 10256 B13R1.223 CCCC(=O)CN1CCC1COC e1514db9910ad538b5343c062ca3dc02 [0,1,0,1,0,0|2,0,0]=4 10257 B13R1.223 CCCC(=O)CN1CC[C@@H]1COC 9385fc8c9a8ae043f5f0df066b0be572 [0,1,0,1,0,0|2,0,0]=4 10258 B13R1.223 CCCC(=O)CN1CC[C@H]1COC 4c2942ba08476a7fc2e24d811ca10094 [0,1,0,1,0,0|2,0,0]=4 10259 B13R1.244 CCCC(=O)CN[C@H]1C[C@@H]1COC beb3036be04f9f64b7044948a522dd23 [0,1,0,1,0,0|2,0,0]=4 10260 B13R1.244 CCCC(=O)CN[C@H]1C[C@H]1COC d466873978c91f4221a394de069e6f35 [0,1,0,1,0,0|2,0,0]=4 10261 B13R1.362 CC1CC(C1)OCCCCCCF 778a9ad049791b3011b85d8d56b3ca0c [0,1,0,1,0,0|1,0,1]=4 10262 B13R1.362 CCCCCCCOC1CC(C1)C 5ab86c290162d42f73a1f5e80955b334 [0,1,0,1,0,0|1,0,1]=4 10263 B13R1.362 CCCCCCOCC1CC(C1)C c0dba57fb9e3a4de50d805843ffafd85 [0,1,0,1,0,0|1,0,1]=4 10264 B13R1.362 CCCCCCOC[C@H]1C[C@@H](C1)C 0d109a45781b6a5e62bb5492c8044f67 [0,1,0,1,0,0|1,0,1]=4 10265 B13R1.362 CCCCOCCOC1CC(C1)C 876cb8823291903a2b2ab52d32d5071a [0,1,0,1,0,0|1,0,1]=4 10266 B13R1.362 CCCOCCCOC1CC(C1)C 14764b8d54f4ff616c1d0ed707eec2ba [0,1,0,1,0,0|1,0,1]=4 10267 B13R1.362 COCCCCCOC1CC(C1)C 5f77bdb5caac70439cbb7e0bc6988dde [0,1,0,1,0,0|1,0,1]=4 10268 B13R1.369 CC1CC(=O)CCC1OCCCF b890b26a7293770908a10b2b997bdf06 [0,1,0,1,0,0|2,0,0]=4 10269 B13R1.369 CC1CC(=O)CCC1OCCCS 3654d48ccd9f9fd6c5c9da5a01f30b63 [0,1,0,1,0,0|2,0,0]=4 10270 B13R1.369 CCCCOC1CCC(=O)CC1C 32a90390edfb6b739b80d6e961bbf079 [0,1,0,1,0,0|1,0,0]=3 10271 B13R1.369 CCCCOC1CCC(=O)NC1C 586e09bf24c46dcf8422a490f5c3b21c [0,1,0,1,0,0|2,0,0]=4 10272 B13R1.369 COCCOC1CCC(=O)CC1C 2d264f37483ba66f30e52e5f85db2931 [0,1,0,1,0,0|2,0,0]=4 10273 B13R1.369 CSCCOC1CCC(=O)CC1C 2e6f2338e02687faa7116b8f94947d9c [0,1,0,1,0,0|2,0,0]=4 10274 B13R1.404 CCCC(=O)CNCC1CCCC1 8a5452eb3f72a7e006387139295b58e0 [0,1,0,1,0,0|1,0,0]=3 10275 B13R1.404 CCCC(=O)CNCC1CCCO1 ea61a1d4b7b795dafb0b9b0d554300c7 [0,1,0,1,0,0|2,0,0]=4 10276 B13R1.404 CCCC(=O)CNCC1CCOC1 b3b1c3f3c32f27ee5ff306ff1b8e76d8 [0,1,0,1,0,0|2,0,0]=4 10277 B13R1.404 CCCC(=O)CNC[C@@H]1CCCO1 7a24de2393e86df5620f3f502e9ca8b5 [0,1,0,1,0,0|2,0,0]=4 10278 B13R1.404 CCCC(=O)CNC[C@@H]1CCOC1 232afe8767ff912d1cc8a866d2a46f21 [0,1,0,1,0,0|2,0,0]=4 10279 B13R1.404 CCCC(=O)CNC[C@H]1CCCO1 6f7e366d14be27ef834fedfded12acda [0,1,0,1,0,0|2,0,0]=4 10280 B13R1.404 CCCC(=O)CNC[C@H]1CCOC1 afc323eb5a05e539aef85c4d08c99580 [0,1,0,1,0,0|2,0,0]=4 10281 B13R1.404 CCCC(=O)COCC1C=CCC1 c8544f48ea825aa689a9884f6d449871 [0,1,0,1,0,0|0,0,2]=4 10282 B13R1.404 CCCC(=O)COCC1CC=CC1 9018533da89a162897a3c75eecdfade7 [0,1,0,1,0,0|0,0,2]=4 10283 B13R1.404 CCCC(=O)COCC1CCCC1 014602a036ec148f0dbdedbdd084ced5 [0,1,0,1,0,0|0,0,0]=2 10284 B13R1.404 CCCC(=O)COCC1CCCO1 96729f83085a65e224ff891e8e73548a [0,1,0,1,0,0|1,0,0]=3 10285 B13R1.404 CCCC(=O)COCC1CCCS1 1e20012c70e87b68cf0052c1117ee68f [0,1,0,1,0,0|1,0,0]=3 10286 B13R1.404 CCCC(=O)COCC1CCOC1 9d919d6d800393e266d38ab7b4ee6cab [0,1,0,1,0,0|1,0,0]=3 10287 B13R1.404 CCCC(=O)COCN1CCCC1 37b59cec399abcabbf0902ff9c5724ed [0,1,0,1,0,0|1,0,0]=3 10288 B13R1.404 CCCC(=O)COC[C@@H]1CCCO1 63ce75d1afbcc9acfa42ca43ca50a916 [0,1,0,1,0,0|1,0,0]=3 10289 B13R1.404 CCCC(=O)COC[C@@H]1CCOC1 b87b07da0d606f96d97ca6298ad19ae8 [0,1,0,1,0,0|1,0,0]=3 10290 B13R1.404 CCCC(=O)COC[C@H]1CCCO1 7fa31ee888e5045f6a3b87aa71667124 [0,1,0,1,0,0|1,0,0]=3 10291 B13R1.404 CCCC(=O)COC[C@H]1CCOC1 72897d34d1f4c2f019d6fbc710660bba [0,1,0,1,0,0|1,0,0]=3 10292 B13R1.404 CCCC(=O)NCCC1CCCC1 c3bdd94ec5299cabfc55c5dccaef344f [0,1,0,1,0,0|1,0,0]=3 10293 B13R1.404 CCCC(=O)NCCC1CCCO1 3d77c068c95c051122c44dacd28c21ea [0,1,0,1,0,0|1,0,0]=3 10294 B13R1.404 CCCC(=O)NCCC1CCOC1 92820bb143855dae945a935f639f8fbd [0,1,0,1,0,0|1,0,0]=3 10295 B13R1.404 CCCC(=O)NCCN1CCCC1 9e15113ea870177d2d5a09fe8f49ac68 [0,1,0,1,0,0|1,0,0]=3 10296 B13R1.404 CCCC(=O)OCNC1CC=CC1 2adf7043313291186c87ece8b2418a84 [0,1,0,1,0,0|0,0,2]=4 10297 B13R1.404 CCCC(=O)OCNC1CCCC1 ba66bab046af6c5fafd1be60e661de95 [0,1,0,1,0,0|0,0,0]=2 10298 B13R1.404 CCCC(=O)OCNC1CCOC1 50b6fcc9c7b9aa9a3b26b743a0b9b5b3 [0,1,0,1,0,0|1,0,0]=3 10299 B13R1.404 CCCC(=O)OCNC1CCSC1 051179ec2ec1bd319409536f3dca9c53 [0,1,0,1,0,0|1,0,0]=3 10300 B13R1.404 CCCC(=O)OCN[C@@H]1CCOC1 999c8895b94f46bf26fb23bd17fb718f [0,1,0,1,0,0|1,0,0]=3 10301 B13R1.404 CCCC(=O)OCN[C@H]1CCOC1 1fc80e8044a4dde659022aa29a72b523 [0,1,0,1,0,0|1,0,0]=3 10302 B13R1.404 CCCC(=O)OCOC1C=CCC1 26a03bf05907c3159cad969173915ac3 [0,1,0,1,0,0|0,0,2]=4 10303 B13R1.404 CCCC(=O)OCOC1CC=CC1 c627f08fa61425ce7277fccb2e4cb13c [0,1,0,1,0,0|0,0,2]=4 10304 B13R1.404 CCCC(=O)OCOC1CCCC1 fb63c3af0fd99ce30af085d31ac7b519 [0,1,0,1,0,0|0,0,0]=2 10305 B13R1.404 CCCC(=O)OCOC1CCCO1 2a869c85f0d32eeafa5d8977c78f2483 [0,1,0,1,0,0|1,0,0]=3 10306 B13R1.404 CCCC(=O)OCOC1CCOC1 17f4a4bcb476dfedd71b2af21e05042c [0,1,0,1,0,0|1,0,0]=3 10307 B13R1.404 CCCC(=O)OCOC1CCSC1 efa9f590eb9adc49a3637ad58333c6b9 [0,1,0,1,0,0|1,0,0]=3 10308 B13R1.404 CCCC(=O)OCO[C@@H]1CCOC1 f82e57ff5be0f095c2fc46168fd681d0 [0,1,0,1,0,0|1,0,0]=3 10309 B13R1.404 CCCC(=O)OCO[C@@H]1CCSC1 157c4ef314545273e30bc870c1dcb8f0 [0,1,0,1,0,0|1,0,0]=3 10310 B13R1.404 CCCC(=O)OCO[C@H]1CCOC1 5a7fdf24cc7cf8c46225cdc8b416dd39 [0,1,0,1,0,0|1,0,0]=3 10311 B13R1.404 CCCC(=O)OCO[C@H]1CCSC1 b9e7b989252d8ac1c926db333653b362 [0,1,0,1,0,0|1,0,0]=3 10312 B13R1.404 CCCC(=S)OCCC1CCCC1 7b37d3540b53b365c663b7a7c0bf165e [0,1,0,1,0,0|0,1,0]=3 10313 B13R1.404 CCCC(=S)OCCC1CCCO1 2919ebba1e8c0b5470f3df755f81fe26 [0,1,0,1,0,0|0,1,0]=3 10314 B13R1.404 CCCC(=S)OCCC1CCOC1 250f4bc3857c7f27f59248a38987b861 [0,1,0,1,0,0|0,1,0]=3 10315 B13R1.404 CCCC(=S)OCCN1CCCC1 259682a8334feb7a1b4c60f1015d0093 [0,1,0,1,0,0|0,1,0]=3 10316 B13R1.404 CCCC(C)CCOC1CCCC1 881741037915aecf5cbbc08db445221f [0,1,0,1,0,0|1,0,1]=4 10317 B13R1.404 CCCC(C)COCC1CCCC1 e6f085d82b5e769e6feedf8c9fb591d6 [0,1,0,1,0,0|1,0,1]=4 10318 B13R1.404 CCCC(C)OCCC1CCCC1 3db8d861b003838701c8e29214917c09 [0,1,0,1,0,0|1,0,1]=4 10319 B13R1.404 CCCC(C)OCCC1CCCO1 40f5a671873549b2e9cca2f60b71bfd1 [0,1,0,1,0,0|1,0,1]=4 10320 B13R1.404 CCCC(C)OCCC1CCOC1 6d30ac03982f8421532a4c57527c742c [0,1,0,1,0,0|1,0,1]=4 10321 B13R1.404 CCCC(C)OCCN1CCCC1 5ecda36f16d84fd6c3c7ed36c6426843 [0,1,0,1,0,0|1,0,1]=4 10322 B13R1.404 CCCC(S)CCOC1CCCC1 43f971fdaa165b3b0d996aa5b4dcd89f [0,1,0,1,0,0|1,0,1]=4 10323 B13R1.404 CCC[C@@H](C)OCCC1CCCC1 6b42f2b2b1bda44efc1e685fe3c964e3 [0,1,0,1,0,0|1,0,1]=4 10324 B13R1.404 CCC[C@@H](C)OCCC1CCCO1 7d68de235588ce57655de4afc4380f44 [0,1,0,1,0,0|1,0,1]=4 10325 B13R1.404 CCC[C@@H](C)OCCC1CCOC1 8f7f0694fdeebd37901f9a813ba484ba [0,1,0,1,0,0|1,0,1]=4 10326 B13R1.404 CCC[C@@H](C)OCCN1CCCC1 1debbeef724d9399f938ba18b27acd4e [0,1,0,1,0,0|1,0,1]=4 10327 B13R1.404 CCC[C@H](C)OCCC1CCCC1 cad865080398ee522501ce28a7467822 [0,1,0,1,0,0|1,0,1]=4 10328 B13R1.404 CCC[C@H](C)OCCC1CCCO1 bab29a4e93b19ab615d0f477b8bd8110 [0,1,0,1,0,0|1,0,1]=4 10329 B13R1.404 CCC[C@H](C)OCCC1CCOC1 e3fd00e27043b28f39633998d0dfe25b [0,1,0,1,0,0|1,0,1]=4 10330 B13R1.404 CCC[C@H](C)OCCN1CCCC1 b09e78b6d3a773bae22e89401a03766b [0,1,0,1,0,0|1,0,1]=4 10331 B13R1.404 CCNC(=O)CCNC1CCCC1 cf2398b8dad886f8aee6530ebf3d919c [0,1,0,1,0,0|2,0,0]=4 10332 B13R1.404 CCNC(=O)CCOC1CCCC1 7e5d97639f15fefdd895f2a1c09e5168 [0,1,0,1,0,0|2,0,0]=4 10333 B13R1.404 CCNC(=O)CNCC1CCCC1 18ba008987dc01d1ff7cfb63fb58320b [0,1,0,1,0,0|2,0,0]=4 10334 B13R1.404 CCNC(=O)COCC1CCCC1 cf8568bb6b79d436e88c24ee0edbf815 [0,1,0,1,0,0|1,0,0]=3 10335 B13R1.404 CCNC(=O)COCC1CCCO1 7df5fc95eadc32579e4e19c6a5c9c628 [0,1,0,1,0,0|2,0,0]=4 10336 B13R1.404 CCNC(=O)COCC1CCCS1 664d284bf728f3b5fa955d814bf83bc1 [0,1,0,1,0,0|2,0,0]=4 10337 B13R1.404 CCNC(=O)COCC1CCOC1 5bda6a8d5c155be613e245fe5c87e87e [0,1,0,1,0,0|2,0,0]=4 10338 B13R1.404 CCNC(=O)COCN1CCCC1 df54e8c4eb326e0a65ad5e44c67260ea [0,1,0,1,0,0|2,0,0]=4 10339 B13R1.404 CCNC(=O)COC[C@@H]1CCCO1 01c6db32ec27408f1c61bf542e87740c [0,1,0,1,0,0|2,0,0]=4 10340 B13R1.404 CCNC(=O)COC[C@@H]1CCOC1 d9ff1e284ca46d3ac9b596faca804320 [0,1,0,1,0,0|2,0,0]=4 10341 B13R1.404 CCNC(=O)COC[C@H]1CCCO1 5a8d0088daa060efbc8bc6366c5e621c [0,1,0,1,0,0|2,0,0]=4 10342 B13R1.404 CCNC(=O)COC[C@H]1CCOC1 14fdfc8dd94e695d3c97230b08286967 [0,1,0,1,0,0|2,0,0]=4 10343 B13R1.404 CCOC(=O)CCNC1CCCC1 724ced2e3d658ef3982181a3ee42746c [0,1,0,1,0,0|2,0,0]=4 10344 B13R1.404 CCOC(=O)CCOC1CCCC1 5c0220d848fd23a3081986fa09fef8d4 [0,1,0,1,0,0|2,0,0]=4 10345 B13R1.404 CCOC(=O)CNCC1CCCC1 a270958ce7b4843a1cbd708614b75fa3 [0,1,0,1,0,0|2,0,0]=4 10346 B13R1.404 CCOC(=O)COCC1CCCC1 fa8fee2a54372431a12f70717e92b180 [0,1,0,1,0,0|1,0,0]=3 10347 B13R1.404 CCOC(=O)COCC1CCCO1 7bdae92d31885c4aaf662db68eaac2d5 [0,1,0,1,0,0|2,0,0]=4 10348 B13R1.404 CCOC(=O)COCC1CCCS1 75dd61e18b5402497bd5d3931297b6ed [0,1,0,1,0,0|2,0,0]=4 10349 B13R1.404 CCOC(=O)COCC1CCOC1 0b642e4ecb08a9ba616c13b52a9833da [0,1,0,1,0,0|2,0,0]=4 10350 B13R1.404 CCOC(=O)COCN1CCCC1 47a1b2c25e6fd54ded9e67172b89758e [0,1,0,1,0,0|2,0,0]=4 10351 B13R1.404 CCOC(=O)COC[C@@H]1CCCO1 c9acbfb684c84432cf74c0e92c30b72d [0,1,0,1,0,0|2,0,0]=4 10352 B13R1.404 CCOC(=O)COC[C@@H]1CCOC1 546d0d90fd73c7d665ebd9a03b20c2d7 [0,1,0,1,0,0|2,0,0]=4 10353 B13R1.404 CCOC(=O)COC[C@H]1CCCO1 1f9014fb6a1e7060ab4f7f56fdc77d0f [0,1,0,1,0,0|2,0,0]=4 10354 B13R1.404 CCOC(=O)COC[C@H]1CCOC1 2b24f6177632626143dcc8b12a77382c [0,1,0,1,0,0|2,0,0]=4 10355 B13R1.404 CCOC(=O)OCNC1CCCC1 a5c8a49800bd9814496293f3bc4751c8 [0,1,0,1,0,0|1,0,0]=3 10356 B13R1.404 CCOC(=O)OCNC1CCOC1 2c917ef6ea6dd718575f573775c05792 [0,1,0,1,0,0|2,0,0]=4 10357 B13R1.404 CCOC(=O)OCNC1CCSC1 132e758d606880ef2d83981047b5912b [0,1,0,1,0,0|2,0,0]=4 10358 B13R1.404 CCOC(=O)OCN[C@@H]1CCOC1 5fd4a975935f31cf7fa63fdce200f685 [0,1,0,1,0,0|2,0,0]=4 10359 B13R1.404 CCOC(=O)OCN[C@H]1CCOC1 4c63fdab40214bd7b7d7241cc4caa0a8 [0,1,0,1,0,0|2,0,0]=4 10360 B13R1.404 CCOC(=O)OCOC1CCCC1 dadc29ebb2cef1326a155459e8bbd0c9 [0,1,0,1,0,0|1,0,0]=3 10361 B13R1.404 CCOC(=O)OCOC1CCCO1 086ec6557afd7f68f7878afb1d64b9ee [0,1,0,1,0,0|2,0,0]=4 10362 B13R1.404 CCOC(=O)OCOC1CCOC1 7be472ccadb37a2930c8f1f14584bece [0,1,0,1,0,0|2,0,0]=4 10363 B13R1.404 CCOC(=O)OCOC1CCSC1 4bb97d108b080cd66b8fc7250b6f2ca3 [0,1,0,1,0,0|2,0,0]=4 10364 B13R1.404 CCOC(=O)OCO[C@@H]1CCOC1 794b23a01480a3f00758a901ef64972e [0,1,0,1,0,0|2,0,0]=4 10365 B13R1.404 CCOC(=O)OCO[C@@H]1CCSC1 81ed006e7196955b264fc5f256a4626f [0,1,0,1,0,0|2,0,0]=4 10366 B13R1.404 CCOC(=O)OCO[C@H]1CCOC1 17787efb509fae7349191a8eb72bde32 [0,1,0,1,0,0|2,0,0]=4 10367 B13R1.404 CCOC(=O)OCO[C@H]1CCSC1 7b4cd2a0c662cbd90450638623c3c16a [0,1,0,1,0,0|2,0,0]=4 10368 B13R1.404 CCSC(=O)OCNC1CCCC1 58102f0dc34e2a214d9c3599d45a4783 [0,1,0,1,0,0|1,0,0]=3 10369 B13R1.404 CCSC(=O)OCNC1CCOC1 9ad683c05a9c47e1f4469cbc3e4ada71 [0,1,0,1,0,0|2,0,0]=4 10370 B13R1.404 CCSC(=O)OCNC1CCSC1 37a56fbb230f7af1fd5b951483afb8af [0,1,0,1,0,0|2,0,0]=4 10371 B13R1.404 CCSC(=O)OCN[C@@H]1CCOC1 c6da8624a68390e83b33fdbfea30273c [0,1,0,1,0,0|2,0,0]=4 10372 B13R1.404 CCSC(=O)OCN[C@H]1CCOC1 2f28d9adf4a95b66a1da71baed6ebcfe [0,1,0,1,0,0|2,0,0]=4 10373 B13R1.404 CCSC(=O)OCOC1CCCC1 94997a5cb9c519b2b70fefa36f389a80 [0,1,0,1,0,0|1,0,0]=3 10374 B13R1.404 CCSC(=O)OCOC1CCCO1 411553dc48ff302e51597469f855ca8e [0,1,0,1,0,0|2,0,0]=4 10375 B13R1.404 CCSC(=O)OCOC1CCOC1 f3057697c9d50e27819ce00a19fbff5f [0,1,0,1,0,0|2,0,0]=4 10376 B13R1.404 CCSC(=O)OCOC1CCSC1 2bc847ffbb530e47c5389ab183fe72b0 [0,1,0,1,0,0|2,0,0]=4 10377 B13R1.404 CCSC(=O)OCO[C@@H]1CCOC1 6e1ec33525591151cee2f7cd8e3812a8 [0,1,0,1,0,0|2,0,0]=4 10378 B13R1.404 CCSC(=O)OCO[C@@H]1CCSC1 81e9bf44f74c0c5e4321a8d4d0f5c2e6 [0,1,0,1,0,0|2,0,0]=4 10379 B13R1.404 CCSC(=O)OCO[C@H]1CCOC1 27517bf8044a9c39fa551c70d4b911ce [0,1,0,1,0,0|2,0,0]=4 10380 B13R1.404 CCSC(=O)OCO[C@H]1CCSC1 b81c78e6f2c5661b9cb4d3676721a82d [0,1,0,1,0,0|2,0,0]=4 10381 B13R1.404 COCC(=O)CNCC1CCCC1 8ec0033329e311b091b657ae71e74d73 [0,1,0,1,0,0|2,0,0]=4 10382 B13R1.404 COCC(=O)COCC1CCCC1 91e9cf4ecc330c1b034bfbae6b838514 [0,1,0,1,0,0|1,0,0]=3 10383 B13R1.404 COCC(=O)COCC1CCCO1 7e39e42b86cd3e88a7b3fcae5e7deb11 [0,1,0,1,0,0|2,0,0]=4 10384 B13R1.404 COCC(=O)COCC1CCCS1 729f4e65538e3eee4d0ed77799c61205 [0,1,0,1,0,0|2,0,0]=4 10385 B13R1.404 COCC(=O)COCC1CCOC1 283e4bbcb234a1cad5b30dff61af5801 [0,1,0,1,0,0|2,0,0]=4 10386 B13R1.404 COCC(=O)COCN1CCCC1 1dd645f77b110b9ba86018621d50c90a [0,1,0,1,0,0|2,0,0]=4 10387 B13R1.404 COCC(=O)COC[C@@H]1CCCO1 c365c57e5480f002e442ae414775f383 [0,1,0,1,0,0|2,0,0]=4 10388 B13R1.404 COCC(=O)COC[C@@H]1CCOC1 b5ed2b58cd3025a1d52a89ecc4ceb010 [0,1,0,1,0,0|2,0,0]=4 10389 B13R1.404 COCC(=O)COC[C@H]1CCCO1 cac46ddadcf4dfa48f5051a4822bc13f [0,1,0,1,0,0|2,0,0]=4 10390 B13R1.404 COCC(=O)COC[C@H]1CCOC1 65ea97e486bbb6c5ffdad5268c1d8b58 [0,1,0,1,0,0|2,0,0]=4 10391 B13R1.404 COCC(=O)NCCC1CCCC1 4c28779956abb195d5cb8692b4ba7d11 [0,1,0,1,0,0|2,0,0]=4 10392 B13R1.404 COCC(=O)NCCC1CCCO1 7bfdbb5bf6e5277bfc44ce4a633a8045 [0,1,0,1,0,0|2,0,0]=4 10393 B13R1.404 COCC(=O)NCCC1CCOC1 b47f48fbb1650e9d84392a237e5ccbe4 [0,1,0,1,0,0|2,0,0]=4 10394 B13R1.404 COCC(=O)NCCN1CCCC1 8882562fa45d331edef26939c55bcbf3 [0,1,0,1,0,0|2,0,0]=4 10395 B13R1.404 CSCC(=O)NCCC1CCCC1 b13d9ce34074fc5b954a4a332b1a041a [0,1,0,1,0,0|2,0,0]=4 10396 B13R1.404 CSCC(=O)NCCC1CCCO1 83ce4ebca3598212774992944cd5ce27 [0,1,0,1,0,0|2,0,0]=4 10397 B13R1.404 CSCC(=O)NCCC1CCOC1 314110d030a256b0f6b9f8e0ecf640ad [0,1,0,1,0,0|2,0,0]=4 10398 B13R1.404 CSCC(=O)NCCN1CCCC1 99e0eebe5962683658094bfa8f4eca47 [0,1,0,1,0,0|2,0,0]=4 10399 B13R1.404 O=C(CCF)NCCC1CCCC1 9e4534f752e6db6cc7d6ae8825830ed9 [0,1,0,1,0,0|2,0,0]=4 10400 B13R1.404 O=C(CCF)NCCC1CCCO1 e030f971dc813d86917a17a7962b3378 [0,1,0,1,0,0|2,0,0]=4 10401 B13R1.404 O=C(CCF)NCCC1CCOC1 dc827dd75c87366763d02016f309a267 [0,1,0,1,0,0|2,0,0]=4 10402 B13R1.404 O=C(CCF)NCCN1CCCC1 c619b9e6863f8f661acf8954c680714f [0,1,0,1,0,0|2,0,0]=4 10403 B13R1.404 O=C(CCO)NCCC1CCCC1 9b33c03ab6fcfeb6ab1d95f8df8f06fe [0,1,0,1,0,0|2,0,0]=4 10404 B13R1.404 O=C(CCO)NCCC1CCCO1 f6d2169f839f84d7ba7ec7d0ccc965e1 [0,1,0,1,0,0|2,0,0]=4 10405 B13R1.404 O=C(CCO)NCCC1CCOC1 11cb80be7b787b4c44b23ffeeea68923 [0,1,0,1,0,0|2,0,0]=4 10406 B13R1.404 O=C(CCO)NCCN1CCCC1 941d3fedd7d53e5654e59f79d7080ce5 [0,1,0,1,0,0|2,0,0]=4 10407 B13R1.404 O=C(CCS)NCCC1CCCC1 a5d98ce2435c61179a76e7dd99c7158b [0,1,0,1,0,0|2,0,0]=4 10408 B13R1.404 O=C(CCS)NCCC1CCCO1 0b9420a1f1fc196e649a3f09dbf28c1f [0,1,0,1,0,0|2,0,0]=4 10409 B13R1.404 O=C(CCS)NCCC1CCOC1 fb5f62c40b1cb5507ffc4775f6bd035b [0,1,0,1,0,0|2,0,0]=4 10410 B13R1.404 O=C(CCS)NCCN1CCCC1 9c5484f624a6bc2c5d74dcfaeec9494e [0,1,0,1,0,0|2,0,0]=4 10411 B13R1.443 CCC1CCCN1CC(=O)COC 0b75b22ea3e00a0db789e8c2ac89baba [0,1,0,1,0,0|2,0,0]=4 10412 B13R1.443 CCCC(=O)CN1CCCC1CC 1bc01eeadb6c4c3e04d5be40d1b22b64 [0,1,0,1,0,0|1,0,0]=3 10413 B13R1.443 CCCC(=O)CN1CCCC1CO 2bbede79a4823b9294d78a636bf3ae12 [0,1,0,1,0,0|2,0,0]=4 10414 B13R1.443 CCCC(=O)CN1CCCC1OC 886ec7777109cd34d5a82762c2b49d95 [0,1,0,1,0,0|2,0,0]=4 10415 B13R1.443 CCCC(=O)CN1CCC[C@@H]1CF fd59c223acb133a1107ac5de47b89552 [0,1,0,1,0,0|2,0,0]=4 10416 B13R1.443 CCCC(=O)CN1CCC[C@@H]1CO 9adc29cf241fc53bbcc56a75cc3f062a [0,1,0,1,0,0|2,0,0]=4 10417 B13R1.443 CCCC(=O)CN1CCC[C@H]1CC 1c254cc3a50f70f2740985d4f574fcfc [0,1,0,1,0,0|1,0,0]=3 10418 B13R1.443 CCCC(=O)CN1CCC[C@H]1CF 28b88f1521834ce27f5f5a673c7c2c0a [0,1,0,1,0,0|2,0,0]=4 10419 B13R1.443 CCCC(=O)CN1CCC[C@H]1CO e81974fbceb456aabb690d2705a33203 [0,1,0,1,0,0|2,0,0]=4 10420 B13R1.443 CCCC(=O)NC1CCCC1OC 26ce43fa2666ad6da33461a13a0e7b9b [0,1,0,1,0,0|1,0,0]=3 10421 B13R1.443 CCCC(=O)NC1COCC1CO 55f1cc5370f032d4d29e8cc35bc997b8 [0,1,0,1,0,0|2,0,0]=4 10422 B13R1.443 CCCC(=O)NC1COCC1OC 05d4424573b0f90944a0157c29d6a712 [0,1,0,1,0,0|2,0,0]=4 10423 B13R1.443 CCCC(=O)N[C@@H]1CCC[C@H]1CC 3f3bd159d7336ac81c40d8dad6bdf029 [0,1,0,1,0,0|1,0,0]=3 10424 B13R1.443 CCCC(=O)N[C@@H]1CCC[C@H]1OC 7d359b0992577dc316e6b123cd9777aa [0,1,0,1,0,0|1,0,0]=3 10425 B13R1.443 CCCC(=O)N[C@@H]1COC[C@@H]1OC f3ed3e26bc3eba688bab9d02f6faf29f [0,1,0,1,0,0|2,0,0]=4 10426 B13R1.443 CCCC(=O)N[C@@H]1COC[C@H]1CO 31a6fd4d315333a9c6a4c4f9fa769cdc [0,1,0,1,0,0|2,0,0]=4 10427 B13R1.443 CCCC(=O)N[C@@H]1COC[C@H]1OC 1ce3b67fa10405d363e44514b2757868 [0,1,0,1,0,0|2,0,0]=4 10428 B13R1.443 CCCC(=O)N[C@H]1CCC[C@@H]1OC 8165edbc9b3be04cdf45f1d8fe37e334 [0,1,0,1,0,0|1,0,0]=3 10429 B13R1.443 CCCC(=O)N[C@H]1CCC[C@H]1C#N 697efbc4ccc9226c6d35c01f8406f3be [0,1,0,1,0,0|1,0,1]=4 10430 B13R1.443 CCCC(=O)N[C@H]1CCC[C@H]1CO 07abbb7a9618071733b423a9fd5c8161 [0,1,0,1,0,0|1,0,0]=3 10431 B13R1.443 CCCC(=O)N[C@H]1CCC[C@H]1OC 051feca8f8546dc347c67c77b11b7c06 [0,1,0,1,0,0|1,0,0]=3 10432 B13R1.443 CCCC(=O)N[C@H]1COC[C@@H]1OC 975e56f865335a680cae67ed5eb5f987 [0,1,0,1,0,0|2,0,0]=4 10433 B13R1.443 CCCC(=O)N[C@H]1COC[C@H]1OC 5159600c67d35e0e41cef0f1a474874b [0,1,0,1,0,0|2,0,0]=4 10434 B13R1.443 CCCC(=O)N[C@H]1CSC[C@@H]1CO f1f66d2c0edaad2ab532515435473add [0,1,0,1,0,0|2,0,0]=4 10435 B13R1.443 CCNC(=O)CN1CCCC1CC 797d014b3ee8d7cc6fda0aba370b9f4a [0,1,0,1,0,0|2,0,0]=4 10436 B13R1.443 CCNC(=O)CN1CCC[C@H]1CC c35bebd3d9cfd945fdda560714735543 [0,1,0,1,0,0|2,0,0]=4 10437 B13R1.443 CCOC(=O)CN1CCCC1CC 9e8b1738f8d1071d2c5a108dc9a71de6 [0,1,0,1,0,0|2,0,0]=4 10438 B13R1.443 CCOC(=O)CN1CCC[C@H]1CC 5ac92083e2b15d98df94af32b7053bf2 [0,1,0,1,0,0|2,0,0]=4 10439 B13R1.443 CC[C@@H]1CCCN1CC(=O)COC 7d63fbb9cb00871e39d038682ede70a5 [0,1,0,1,0,0|2,0,0]=4 10440 B13R1.443 CC[C@@H]1CCC[C@H]1NC(=O)CCF 06b2058b2fa10d6595adf5a551c6d662 [0,1,0,1,0,0|2,0,0]=4 10441 B13R1.443 CC[C@@H]1CCC[C@H]1NC(=O)CCO 45e91526503dccffb9bad39a1a9ed15a [0,1,0,1,0,0|2,0,0]=4 10442 B13R1.443 CC[C@@H]1CCC[C@H]1NC(=O)CCS 6f14cb5b7f80468b72b9c369576180bb [0,1,0,1,0,0|2,0,0]=4 10443 B13R1.443 CC[C@@H]1CCC[C@H]1NC(=O)COC 058c431a3f8d473411ce41ab1121c162 [0,1,0,1,0,0|2,0,0]=4 10444 B13R1.443 CC[C@@H]1CCC[C@H]1NC(=O)CSC 3b5508c8da0f4103087f7e1528669760 [0,1,0,1,0,0|2,0,0]=4 10445 B13R1.443 COC1CCCC1NC(=O)CCF 2a94b5969ede7ca8802768687ab6ac3b [0,1,0,1,0,0|2,0,0]=4 10446 B13R1.443 COC1CCCC1NC(=O)CCO 57664d6670bdf4525184411d2abb22f0 [0,1,0,1,0,0|2,0,0]=4 10447 B13R1.443 COC1CCCC1NC(=O)CCS f26ddf537e9ee475faeaa1a41b7f58f5 [0,1,0,1,0,0|2,0,0]=4 10448 B13R1.443 COC1CCCC1NC(=O)CSC 766281a8e741335810a489df5e1793e9 [0,1,0,1,0,0|2,0,0]=4 10449 B13R1.443 COCC(=O)NC1CCCC1OC c99ab721b7b609e0b4d207bd3de11107 [0,1,0,1,0,0|2,0,0]=4 10450 B13R1.443 COCC(=O)N[C@@H]1CCC[C@H]1OC d8b0772fd2b247d699ac7b71d8617cbd [0,1,0,1,0,0|2,0,0]=4 10451 B13R1.443 COCC(=O)N[C@H]1CCC[C@@H]1OC 055189200948416c6fe5b9f67ee2ad93 [0,1,0,1,0,0|2,0,0]=4 10452 B13R1.443 COCC(=O)N[C@H]1CCC[C@H]1CO 69bbe5442a2020016d5118378b7af056 [0,1,0,1,0,0|2,0,0]=4 10453 B13R1.443 COCC(=O)N[C@H]1CCC[C@H]1OC f7cb65e1819a37eb0525428fe9062a3a [0,1,0,1,0,0|2,0,0]=4 10454 B13R1.443 CO[C@@H]1CCC[C@@H]1NC(=O)CCF 4f1ae9dc417e1863904bceca148930dc [0,1,0,1,0,0|2,0,0]=4 10455 B13R1.443 CO[C@@H]1CCC[C@@H]1NC(=O)CCO c87c23e425531bd586d9f9df6f996ca1 [0,1,0,1,0,0|2,0,0]=4 10456 B13R1.443 CO[C@@H]1CCC[C@@H]1NC(=O)CCS 8d5f566c6636c669b87a424a69379e80 [0,1,0,1,0,0|2,0,0]=4 10457 B13R1.443 CO[C@@H]1CCC[C@@H]1NC(=O)CSC e1a73f3baacf725092b3a1c9b3efb0df [0,1,0,1,0,0|2,0,0]=4 10458 B13R1.443 CO[C@@H]1CCC[C@H]1NC(=O)CCF bb6eb1a776c74c434dd96b54e36919dd [0,1,0,1,0,0|2,0,0]=4 10459 B13R1.443 CO[C@@H]1CCC[C@H]1NC(=O)CCO 34ebeec6b27a0a596c85177917d44237 [0,1,0,1,0,0|2,0,0]=4 10460 B13R1.443 CO[C@@H]1CCC[C@H]1NC(=O)CCS c05c1ddc9e74a6eeddee558dafc002f6 [0,1,0,1,0,0|2,0,0]=4 10461 B13R1.443 CO[C@@H]1CCC[C@H]1NC(=O)CSC cacaad4dc82fdeccccb406330aa80f6b [0,1,0,1,0,0|2,0,0]=4 10462 B13R1.443 CO[C@H]1CCC[C@@H]1NC(=O)CCF ffdc9eba20551c01b37891e5f4d985fc [0,1,0,1,0,0|2,0,0]=4 10463 B13R1.443 CO[C@H]1CCC[C@@H]1NC(=O)CCO 53891fdfe5ff4739784c66fed1d69462 [0,1,0,1,0,0|2,0,0]=4 10464 B13R1.443 CO[C@H]1CCC[C@@H]1NC(=O)CCS d2e9fd7efe973c23e6b6658e62aaf9f4 [0,1,0,1,0,0|2,0,0]=4 10465 B13R1.443 CO[C@H]1CCC[C@@H]1NC(=O)CSC f77c71bbfc57ea4d2f4cabf6380641ca [0,1,0,1,0,0|2,0,0]=4 10466 B13R1.443 CSCC(=O)N[C@H]1CCC[C@H]1CO 469c8c20c3322469ef159ad097b6ddff [0,1,0,1,0,0|2,0,0]=4 10467 B13R1.443 O=C(CCF)N[C@H]1CCC[C@H]1CO 76313e0dc7383ab518fb9e5998925b9e [0,1,0,1,0,0|2,0,0]=4 10468 B13R1.443 O=C(CCO)N[C@H]1CCC[C@H]1CO cb163d645847af0f5f895db10846598a [0,1,0,1,0,0|2,0,0]=4 10469 B13R1.443 O=C(CCS)N[C@H]1CCC[C@H]1CO a59eae8dc571b29b8547dfe4c47341a1 [0,1,0,1,0,0|2,0,0]=4 10470 B13R1.444 CCCC(=O)CNC1CCCC1O 624c8f0e872719250b525ce17f768b69 [0,1,0,1,0,0|2,0,0]=4 10471 B13R1.444 CCCC(=O)CN[C@@H]1CCC[C@@H]1O 6b0a71ee334c826703114eac91b58797 [0,1,0,1,0,0|2,0,0]=4 10472 B13R1.444 CCCC(=O)CN[C@@H]1CCC[C@H]1O 3e2dcedcf98b40d9fee6353a8d3fb9fa [0,1,0,1,0,0|2,0,0]=4 10473 B13R1.444 CCCC(=O)CN[C@H]1CCC[C@@H]1O ae5efe278565ba836689842ca7c4054d [0,1,0,1,0,0|2,0,0]=4 10474 B13R1.444 CCCC(=O)CN[C@H]1CCC[C@H]1O f01afa5d406a43143846752e3886a452 [0,1,0,1,0,0|2,0,0]=4 10475 B13R1.444 CCCC(=O)COC1CCCC1C 4c5bb5b125221b2b70a43370f1ad3328 [0,1,0,1,0,0|0,0,0]=2 10476 B13R1.444 CCCC(=O)COC1COCC1C 46d3372cd65b20f1a0249ae591e77253 [0,1,0,1,0,0|1,0,0]=3 10477 B13R1.444 CCCC(=O)COC1COCC1F 459a84d784524dd447ad557ec4cc4ca8 [0,1,0,1,0,0|2,0,0]=4 10478 B13R1.444 CCCC(=O)CO[C@@H]1CCC[C@@H]1C 7f3a681f7f67c84c6be6cbcd6ea71f64 [0,1,0,1,0,0|0,0,0]=2 10479 B13R1.444 CCCC(=O)CO[C@@H]1CCC[C@H]1C 45a55202526bbbccde52321f289b8714 [0,1,0,1,0,0|0,0,0]=2 10480 B13R1.444 CCCC(=O)CO[C@@H]1CCC[C@H]1F 1d8a09cdf596850cfd2ee7277cf6f077 [0,1,0,1,0,0|1,0,0]=3 10481 B13R1.444 CCCC(=O)CO[C@@H]1COC[C@@H]1C 75d6254ac9d88d849804090c38c25737 [0,1,0,1,0,0|1,0,0]=3 10482 B13R1.444 CCCC(=O)CO[C@@H]1COC[C@H]1F 4b06ef7567632d8e5c382aabed61d840 [0,1,0,1,0,0|2,0,0]=4 10483 B13R1.444 CCCC(=O)CO[C@H]1CCC[C@@H]1C fbdc0587776835cc53a7d2975758e665 [0,1,0,1,0,0|0,0,0]=2 10484 B13R1.444 CCCC(=O)CO[C@H]1CCC[C@H]1C e3976c51f0bb1dc470ec1fb7af5363b4 [0,1,0,1,0,0|0,0,0]=2 10485 B13R1.444 CCCC(=O)CO[C@H]1COC[C@@H]1C b6da4cbd2e116da855646e2c2fd82f4f [0,1,0,1,0,0|1,0,0]=3 10486 B13R1.444 CCCC(=O)CO[C@H]1COC[C@H]1C 588756ed4ce88cba69d161e6ab3b45d4 [0,1,0,1,0,0|1,0,0]=3 10487 B13R1.444 CCCC(=O)CO[C@H]1COC[C@H]1F d29e40aa74220fc0676059c65faa61f6 [0,1,0,1,0,0|2,0,0]=4 10488 B13R1.444 CCCC(=O)NCC1CCCC1O 869cf5fce2a558fdd67d90536c7772ac [0,1,0,1,0,0|1,0,0]=3 10489 B13R1.444 CCCC(=O)NCC1CCCN1C 5862134bbcd1bc3ac100a215c39d4b54 [0,1,0,1,0,0|1,0,0]=3 10490 B13R1.444 CCCC(=O)NC[C@@H]1CCCN1C 7038fdbdca8aabdd06490b358231997f [0,1,0,1,0,0|1,0,0]=3 10491 B13R1.444 CCCC(=O)NC[C@@H]1COC[C@@H]1O b257ebb1452562a45f063977091aa81b [0,1,0,1,0,0|2,0,0]=4 10492 B13R1.444 CCCC(=O)NC[C@H]1CCCN1C bf11a143dc2c8633580f1a6fc67b9c28 [0,1,0,1,0,0|1,0,0]=3 10493 B13R1.444 CCCC(=O)OCN1CCCC1C 8ec4f73f00bc2401841660bac493dc4f [0,1,0,1,0,0|0,0,0]=2 10494 B13R1.444 CCCC(=O)OCN1CCCC1O f824b7a2e692fbdd90eb6bd9f0dd08eb [0,1,0,1,0,0|1,0,0]=3 10495 B13R1.444 CCCC(=O)OCN1CCC[C@@H]1C a36648f41955d08c03e7c4a2c2634618 [0,1,0,1,0,0|0,0,0]=2 10496 B13R1.444 CCCC(=O)OCN1CCC[C@H]1C 938e07ec6e070895762f4ebea35727df [0,1,0,1,0,0|0,0,0]=2 10497 B13R1.444 CCCC(=O)OCN1CCSC1C 6c8972d0432e8a64c2eb7ce7c573c81f [0,1,0,1,0,0|1,0,0]=3 10498 B13R1.444 CCCC(=S)OCC1COCC1C a5c8cde453cfc380cecf478ac8679344 [0,1,0,1,0,0|0,1,0]=3 10499 B13R1.444 CCCC(C)COC1CCCC1C 76fb4bdc0ec3401ca4a0a54f57838dac [0,1,0,1,0,0|1,0,1]=4 10500 B13R1.444 CCCC(C)CO[C@@H]1CCC[C@@H]1C 1178fea9fa52c773d753c4bea695c70c [0,1,0,1,0,0|1,0,1]=4 10501 B13R1.444 CCCC(C)CO[C@@H]1CCC[C@H]1C e6fac1242015f971b63922593da98a87 [0,1,0,1,0,0|1,0,1]=4 10502 B13R1.444 CCCC(C)CO[C@H]1CCC[C@@H]1C f7be821b2f7e9001d93f1ed9c428bf49 [0,1,0,1,0,0|1,0,1]=4 10503 B13R1.444 CCCC(C)CO[C@H]1CCC[C@H]1C 032da3eb6648372efd284b3e936aff98 [0,1,0,1,0,0|1,0,1]=4 10504 B13R1.444 CCCC(C)NCN1CCCC1=O 46155dc6afd0b2d4368cf69025641a65 [0,1,0,1,0,0|2,0,0]=4 10505 B13R1.444 CCCC(C)OCC1CCCC1=O 317f7bcf854dbe8f6ad9ef50a15a29cd [0,1,0,1,0,0|2,0,0]=4 10506 B13R1.444 CCCC(C)OCC1CCCC1C 2e6db464332ee504fd87a275302d8790 [0,1,0,1,0,0|1,0,1]=4 10507 B13R1.444 CCCC(C)OCC1CCCN1C 3b36b95e2e5c4a1e37a524cb28039add [0,1,0,1,0,0|1,0,1]=4 10508 B13R1.444 CCCC(C)OCC1COCC1C 94d8cb4b653c8ecf726aef58059737f9 [0,1,0,1,0,0|1,0,1]=4 10509 B13R1.444 CCCC(C)OCC1OCCC1C c0f5afb96ce24e96b99e12b9cd94d5e0 [0,1,0,1,0,0|1,0,1]=4 10510 B13R1.444 CCCC(C)OCN1CCCC1=O ff972a514d1cb0c0eb1e38cffd18cf6f [0,1,0,1,0,0|2,0,0]=4 10511 B13R1.444 CCCC(C)OC[C@@H]1CCCN1C 6648f44d4433e1b6c7e9effd1abe4c69 [0,1,0,1,0,0|1,0,1]=4 10512 B13R1.444 CCCC(C)OC[C@@H]1CCC[C@H]1F 9a6473e91d2dbcb7617d3c4047472cd3 [0,1,0,1,0,0|1,0,1]=4 10513 B13R1.444 CCCC(C)OC[C@@H]1CCO[C@@H]1C 8e31291749399d55dda7bffd2c84f486 [0,1,0,1,0,0|1,0,1]=4 10514 B13R1.444 CCCC(C)OC[C@H]1CCCN1C 257e8a8ade161754e155821c615edcfc [0,1,0,1,0,0|1,0,1]=4 10515 B13R1.444 CCCC(O)CNC1CCCC1=O 74227deac063c80db0414bcb8b160754 [0,1,0,1,0,0|2,0,0]=4 10516 B13R1.444 CCCN(C)CCN1CCCC1=O ef44cb37d37ef524c3474dde7ebeb441 [0,1,0,1,0,0|2,0,0]=4 10517 B13R1.444 CCC[C@@H](C)OCC1COCC1C d966c107ae003e57752ec6b4adfd8bba [0,1,0,1,0,0|1,0,1]=4 10518 B13R1.444 CCC[C@@H](C)OCN1CCCC1=O 87de172123cfafead2afaf801da00bca [0,1,0,1,0,0|2,0,0]=4 10519 B13R1.444 CCC[C@H](C)NCN1CCCC1=O a6074717c85531d71d16088e582c315b [0,1,0,1,0,0|2,0,0]=4 10520 B13R1.444 CCC[C@H](C)OCC1COCC1C c7c4338de7e96415f3f5ce4cbbb0372c [0,1,0,1,0,0|1,0,1]=4 10521 B13R1.444 CCC[C@H](C)OCN1CCCC1=O 2b6bf01911bc491b8988aee2ffb4a790 [0,1,0,1,0,0|2,0,0]=4 10522 B13R1.444 CCNC(=O)CCN1CCCC1C 388c1fadd07945cec87ff401cfe00e47 [0,1,0,1,0,0|2,0,0]=4 10523 B13R1.444 CCNC(=O)CCN1CCC[C@@H]1C fd96092a714ddc0b49af4cacee58be6f [0,1,0,1,0,0|2,0,0]=4 10524 B13R1.444 CCNC(=O)CCN1CCC[C@H]1C a8dd5a1c0924eb39874cb5548f716765 [0,1,0,1,0,0|2,0,0]=4 10525 B13R1.444 CCNC(=O)COC1CCCC1C 9dd5212fcb7f8129b4b30a749bab7ea0 [0,1,0,1,0,0|1,0,0]=3 10526 B13R1.444 CCNC(=O)COC1COCC1C 9e318ab5dcc70716f50fb9b50f65b524 [0,1,0,1,0,0|2,0,0]=4 10527 B13R1.444 CCNC(=O)CO[C@@H]1CCC[C@@H]1C a35c1bf84b5553052a16a88ebeb9f247 [0,1,0,1,0,0|1,0,0]=3 10528 B13R1.444 CCNC(=O)CO[C@@H]1CCC[C@H]1C 7ee27724586c3615bfeba0904d54c7f4 [0,1,0,1,0,0|1,0,0]=3 10529 B13R1.444 CCNC(=O)CO[C@@H]1CCC[C@H]1F 8ddfe5086a003c3abe44bbe6d941f383 [0,1,0,1,0,0|2,0,0]=4 10530 B13R1.444 CCNC(=O)CO[C@@H]1COC[C@@H]1C 6962995f6a480f1d992a31d8fa249890 [0,1,0,1,0,0|2,0,0]=4 10531 B13R1.444 CCNC(=O)CO[C@H]1CCC[C@@H]1C 442049a9497a73c8bc393ec5c38b0c9c [0,1,0,1,0,0|1,0,0]=3 10532 B13R1.444 CCNC(=O)CO[C@H]1CCC[C@H]1C b9571f6a48e8bd4e582aeb66f43c40e6 [0,1,0,1,0,0|1,0,0]=3 10533 B13R1.444 CCNC(=O)CO[C@H]1COC[C@@H]1C 45c6a4bdc8ab5096de39cc9d1e92a6a2 [0,1,0,1,0,0|2,0,0]=4 10534 B13R1.444 CCNC(=O)CO[C@H]1COC[C@H]1C 608106f308827eea0f77ba5f4014fc12 [0,1,0,1,0,0|2,0,0]=4 10535 B13R1.444 CCOC(=O)CCN1CCCC1C 4bae1e762349d7da308666424a5e98ae [0,1,0,1,0,0|2,0,0]=4 10536 B13R1.444 CCOC(=O)CCN1CCC[C@@H]1C e36a110e8d0b1751c61a98f13f96d79d [0,1,0,1,0,0|2,0,0]=4 10537 B13R1.444 CCOC(=O)CCN1CCC[C@H]1C dbff61381838bae3657723a6230bffde [0,1,0,1,0,0|2,0,0]=4 10538 B13R1.444 CCOC(=O)COC1CCCC1C 10ac12519c183fc31267280723db4fbd [0,1,0,1,0,0|1,0,0]=3 10539 B13R1.444 CCOC(=O)COC1COCC1C eb818509fe438aa8f9a814bd54bc1a21 [0,1,0,1,0,0|2,0,0]=4 10540 B13R1.444 CCOC(=O)CO[C@@H]1CCC[C@@H]1C d04871114d543adc7edebb5c647d898d [0,1,0,1,0,0|1,0,0]=3 10541 B13R1.444 CCOC(=O)CO[C@@H]1CCC[C@H]1C 00a0e2195820fdc39410eef05ecc9045 [0,1,0,1,0,0|1,0,0]=3 10542 B13R1.444 CCOC(=O)CO[C@@H]1CCC[C@H]1F a7fc08895ecb59149d057b93968a1ccf [0,1,0,1,0,0|2,0,0]=4 10543 B13R1.444 CCOC(=O)CO[C@@H]1COC[C@@H]1C 0c9ebac0a0a90d96a6c7fa5ca51b2414 [0,1,0,1,0,0|2,0,0]=4 10544 B13R1.444 CCOC(=O)CO[C@H]1CCC[C@@H]1C f3671fbdc653e45ab502c0657a46cd27 [0,1,0,1,0,0|1,0,0]=3 10545 B13R1.444 CCOC(=O)CO[C@H]1CCC[C@H]1C 08ae4a12af296edbbf3e18c14587266b [0,1,0,1,0,0|1,0,0]=3 10546 B13R1.444 CCOC(=O)CO[C@H]1COC[C@@H]1C 504ef3a473e4ddd56063ae9cc0ad61b8 [0,1,0,1,0,0|2,0,0]=4 10547 B13R1.444 CCOC(=O)CO[C@H]1COC[C@H]1C 12abc98f9b18fd556d917999a57cc211 [0,1,0,1,0,0|2,0,0]=4 10548 B13R1.444 CCOC(=O)OCN1CCCC1C 40dbd9e7eaafe440b97b2e55c86da4dc [0,1,0,1,0,0|1,0,0]=3 10549 B13R1.444 CCOC(=O)OCN1CCCC1O de6242bcbdfc05c7f9d795ac47c3f297 [0,1,0,1,0,0|2,0,0]=4 10550 B13R1.444 CCOC(=O)OCN1CCC[C@@H]1C 9e76bcf2b5ceae6e0a9863c9729cfdab [0,1,0,1,0,0|1,0,0]=3 10551 B13R1.444 CCOC(=O)OCN1CCC[C@H]1C a04aaaaa36ff7e5a254252bb9232c32f [0,1,0,1,0,0|1,0,0]=3 10552 B13R1.444 CCOC(=O)OCN1CCSC1C ae6594734c8c65131d63547cd7dcd693 [0,1,0,1,0,0|2,0,0]=4 10553 B13R1.444 CCSC(=O)OCN1CCCC1C 2d4eab11197a3fcc848ec5c94093977b [0,1,0,1,0,0|1,0,0]=3 10554 B13R1.444 CCSC(=O)OCN1CCCC1O 6c5ffb94ce702d8e7ea520b9d3359da2 [0,1,0,1,0,0|2,0,0]=4 10555 B13R1.444 CCSC(=O)OCN1CCC[C@@H]1C 34b6d676d7ea4fd036450058cddb6633 [0,1,0,1,0,0|1,0,0]=3 10556 B13R1.444 CCSC(=O)OCN1CCC[C@H]1C 5ceadd1be15d91fa8f7a397c6d25fb33 [0,1,0,1,0,0|1,0,0]=3 10557 B13R1.444 CCSC(=O)OCN1CCSC1C cfb2f1f699a5144a4930ec179d8d8408 [0,1,0,1,0,0|2,0,0]=4 10558 B13R1.444 CN1CCCC1CNC(=O)CCF c1e87eea05998ea45bbab8b0918d6677 [0,1,0,1,0,0|2,0,0]=4 10559 B13R1.444 CN1CCCC1CNC(=O)CCO c45fbbfc822af760fd1284e9c43f233f [0,1,0,1,0,0|2,0,0]=4 10560 B13R1.444 CN1CCCC1CNC(=O)CCS a1f71ca67dca5f823e25451f495a7d9b [0,1,0,1,0,0|2,0,0]=4 10561 B13R1.444 CN1CCC[C@@H]1CNC(=O)CCF 8a76bb5579773022835b34bedd0afa5a [0,1,0,1,0,0|2,0,0]=4 10562 B13R1.444 CN1CCC[C@@H]1CNC(=O)CCO 34a21eac08ae5dbc65ac2594a105c8c9 [0,1,0,1,0,0|2,0,0]=4 10563 B13R1.444 CN1CCC[C@@H]1CNC(=O)CCS dedde7f7816f6284415b93891155ddcb [0,1,0,1,0,0|2,0,0]=4 10564 B13R1.444 CN1CCC[C@H]1CNC(=O)CCF 2f1b02eceedc4c5cd174d5ee60c39ef9 [0,1,0,1,0,0|2,0,0]=4 10565 B13R1.444 CN1CCC[C@H]1CNC(=O)CCO f5569d8ae1a32c9eed5bf931f83dc8e6 [0,1,0,1,0,0|2,0,0]=4 10566 B13R1.444 CN1CCC[C@H]1CNC(=O)CCS ab3aafe4896ce41abbfe7a5c6cafef07 [0,1,0,1,0,0|2,0,0]=4 10567 B13R1.444 COCC(=O)COC1CCCC1C d8bf2d645e96b39b64317ea12d129c76 [0,1,0,1,0,0|1,0,0]=3 10568 B13R1.444 COCC(=O)COC1COCC1C 0ee07081bf802de0b68e3e3ca04404df [0,1,0,1,0,0|2,0,0]=4 10569 B13R1.444 COCC(=O)CO[C@@H]1CCC[C@@H]1C 316f70c36d513686d3ed3bf400bd6d2d [0,1,0,1,0,0|1,0,0]=3 10570 B13R1.444 COCC(=O)CO[C@@H]1CCC[C@H]1C e55523e965a85dcecdbdb43ecad1c5d8 [0,1,0,1,0,0|1,0,0]=3 10571 B13R1.444 COCC(=O)CO[C@@H]1CCC[C@H]1F 457fda4f36927615b96913ad0faaef7d [0,1,0,1,0,0|2,0,0]=4 10572 B13R1.444 COCC(=O)CO[C@@H]1COC[C@@H]1C 83115c463066df0d3bff19d236b11664 [0,1,0,1,0,0|2,0,0]=4 10573 B13R1.444 COCC(=O)CO[C@H]1CCC[C@@H]1C 658751177fe8ed8b33400cdc573adddf [0,1,0,1,0,0|1,0,0]=3 10574 B13R1.444 COCC(=O)CO[C@H]1CCC[C@H]1C 8b2168b7ad6a94ffa7757537902695f9 [0,1,0,1,0,0|1,0,0]=3 10575 B13R1.444 COCC(=O)CO[C@H]1COC[C@@H]1C 440a04cfbb44712521e7390f22992b3d [0,1,0,1,0,0|2,0,0]=4 10576 B13R1.444 COCC(=O)CO[C@H]1COC[C@H]1C 565b0abb3e90ec02d82ee9e4b53bae2c [0,1,0,1,0,0|2,0,0]=4 10577 B13R1.444 COCC(=O)NCC1CCCC1O ee83a891e93cb97f708d5e0431fd2a1a [0,1,0,1,0,0|2,0,0]=4 10578 B13R1.444 COCC(=O)NCC1CCCN1C 60407925ba798cc84a553da15d7dc8fc [0,1,0,1,0,0|2,0,0]=4 10579 B13R1.444 COCC(=O)NC[C@@H]1CCCN1C 71e03cdbfbd2641b3238ba22874e9a7b [0,1,0,1,0,0|2,0,0]=4 10580 B13R1.444 COCC(=O)NC[C@H]1CCCN1C b992519591645d5ff80bd4a0bde85de1 [0,1,0,1,0,0|2,0,0]=4 10581 B13R1.444 CSCC(=O)NCC1CCCC1O c6030c3b23ea94bf6a4dcc0828783b20 [0,1,0,1,0,0|2,0,0]=4 10582 B13R1.444 CSCC(=O)NCC1CCCN1C 5283d8e24cbb95c72e48f1adafd5719d [0,1,0,1,0,0|2,0,0]=4 10583 B13R1.444 CSCC(=O)NC[C@@H]1CCCN1C c4f95780e169c4253bba1b402ac9ccb9 [0,1,0,1,0,0|2,0,0]=4 10584 B13R1.444 CSCC(=O)NC[C@H]1CCCN1C d2b4a5449b776077329bb4c2a99f2586 [0,1,0,1,0,0|2,0,0]=4 10585 B13R1.444 O=C(CCF)NCC1CCCC1O a67ea1f7fa390ca12b01be150290bae5 [0,1,0,1,0,0|2,0,0]=4 10586 B13R1.444 O=C(CCO)NCC1CCCC1O 9bc8a79c91da2759a9d6124ff0ab71a9 [0,1,0,1,0,0|2,0,0]=4 10587 B13R1.444 O=C(CCS)NCC1CCCC1O b124ff834ef806489d14a5fc8eaccd87 [0,1,0,1,0,0|2,0,0]=4 10588 B13R1.445 CCCC(=O)CNC1CCC1OC 4fb26966401babc478653ddc11490107 [0,1,0,1,0,0|2,0,0]=4 10589 B13R1.445 CCCC(=O)CN[C@@H]1CC[C@@H]1OC f349c11de9218df773cf157e9bd6934f [0,1,0,1,0,0|2,0,0]=4 10590 B13R1.445 CCCC(=O)CN[C@@H]1CC[C@H]1OC 97e549b96b42984ffad099db1e23093f [0,1,0,1,0,0|2,0,0]=4 10591 B13R1.445 CCCC(=O)CN[C@H]1CC[C@@H]1OC 0cb0471c518b62a6c975348b125d1ff2 [0,1,0,1,0,0|2,0,0]=4 10592 B13R1.445 CCCC(=O)CN[C@H]1CC[C@H]1OC e14ce613a98b8a84f2b3ef3b1dd27e58 [0,1,0,1,0,0|2,0,0]=4 10593 B13R1.445 CCCC(=O)OCN1CCC1CC f23aeac66a5892feabfe8bb671e7267b [0,1,0,1,0,0|0,0,0]=2 10594 B13R1.445 CCCC(=O)OCN1CCC1CO 189370574ace48e49ba7c1b819a7871b [0,1,0,1,0,0|1,0,0]=3 10595 B13R1.445 CCCC(=O)OCN1CC[C@@H]1CO 58523ee4033aadebc36e29f7e8d14c8e [0,1,0,1,0,0|1,0,0]=3 10596 B13R1.445 CCCC(=O)OCN1CC[C@H]1CO 04f2818b5c4157407c37547c26650ca6 [0,1,0,1,0,0|1,0,0]=3 10597 B13R1.445 CCCC(C)OCC1CCC1OC 369229129bcefa47b9766fb5930a94c1 [0,1,0,1,0,0|1,0,1]=4 10598 B13R1.445 CCCC(C)OC[C@@H]1CC[C@H]1OC 7fa7ac40f6f7ac3de290ca725ed0cba6 [0,1,0,1,0,0|1,0,1]=4 10599 B13R1.445 CCCC(C)OC[C@H]1CC[C@H]1OC b466f6a78d8d4943eb65c7274a4fc964 [0,1,0,1,0,0|1,0,1]=4 10600 B13R1.445 CCNC(=O)CCN1CCC1CC 2ef4007b49213dd3dfe003c65e55d5b0 [0,1,0,1,0,0|2,0,0]=4 10601 B13R1.445 CCOC(=O)CCN1CCC1CC a6de3f5ee14bd516e43145ff3c08f088 [0,1,0,1,0,0|2,0,0]=4 10602 B13R1.445 CCOC(=O)OCN1CCC1CC d3f423860a4737a970fa4de579174e70 [0,1,0,1,0,0|1,0,0]=3 10603 B13R1.445 CCOC(=O)OCN1CCC1CO 9bb990857bcf6000bb771d67d3a82a83 [0,1,0,1,0,0|2,0,0]=4 10604 B13R1.445 CCOC(=O)OCN1CC[C@@H]1CO 9b21b4e453ca9e42af591b5b8c0154d5 [0,1,0,1,0,0|2,0,0]=4 10605 B13R1.445 CCOC(=O)OCN1CC[C@H]1CO 7d884fd189a7937b7c44d6d106c939ac [0,1,0,1,0,0|2,0,0]=4 10606 B13R1.445 CCSC(=O)OCN1CCC1CC 54570d85458cd5c43d07250f9b1eceb9 [0,1,0,1,0,0|1,0,0]=3 10607 B13R1.445 CCSC(=O)OCN1CCC1CO b28daf9076886203610f788f72bd9ab0 [0,1,0,1,0,0|2,0,0]=4 10608 B13R1.445 CCSC(=O)OCN1CC[C@@H]1CO 388693f3649645109928092e448c9238 [0,1,0,1,0,0|2,0,0]=4 10609 B13R1.445 CCSC(=O)OCN1CC[C@H]1CO 46058a7374b89e12914eabedad60dfc4 [0,1,0,1,0,0|2,0,0]=4 10610 B13R1.447 C=C1CC1COCOC(=O)CCC 07f4f44f8ae0954ef5cb6427b80755f7 [0,1,0,1,0,0|0,0,2]=4 10611 B13R1.447 CCCC(=O)OCOCC1CC1C 3b6f0c40ec32cbd56897be818c0ebbba [0,1,0,1,0,0|0,0,0]=2 10612 B13R1.447 CCCC(=O)OCOC[C@@H]1C[C@@H]1C c56e8f0d1ee45c302d8162eb8c1177fe [0,1,0,1,0,0|0,0,0]=2 10613 B13R1.447 CCCC(=O)OCOC[C@@H]1C[C@@H]1F aa5b8f4cbaac41e14afa44ed51cbeaa8 [0,1,0,1,0,0|1,0,0]=3 10614 B13R1.447 CCCC(=O)OCOC[C@@H]1C[C@H]1C 62255a07d5264014df070126c995321b [0,1,0,1,0,0|0,0,0]=2 10615 B13R1.447 CCCC(=O)OCOC[C@@H]1C[C@H]1F e7018a15ae1ba7b3aac5d5d993a055d7 [0,1,0,1,0,0|1,0,0]=3 10616 B13R1.447 CCCC(=O)OCOC[C@H]1C[C@@H]1C 7c6bf5c03e3b3e9e261737510eaced33 [0,1,0,1,0,0|0,0,0]=2 10617 B13R1.447 CCCC(=O)OCOC[C@H]1C[C@@H]1F 697b3dcb3465455abc510470640ec7f5 [0,1,0,1,0,0|1,0,0]=3 10618 B13R1.447 CCCC(=O)OCOC[C@H]1C[C@H]1F b0683aade63bf3eb2a94eaca8c85fb7b [0,1,0,1,0,0|1,0,0]=3 10619 B13R1.447 CCNC(=O)CCOCC1CC1C 218b49036ca250d89964cfe117cccd22 [0,1,0,1,0,0|2,0,0]=4 10620 B13R1.447 CCNC(=O)CCOC[C@@H]1C[C@@H]1C a5bd1da8eec3da0f9d9e45cbfa60b2f6 [0,1,0,1,0,0|2,0,0]=4 10621 B13R1.447 CCNC(=O)CCOC[C@@H]1C[C@H]1C bebb289fb92e780b7ed65039cf9a6340 [0,1,0,1,0,0|2,0,0]=4 10622 B13R1.447 CCNC(=O)CCOC[C@H]1C[C@@H]1C ea3595fc38c04cd76283ac1ecbe2938a [0,1,0,1,0,0|2,0,0]=4 10623 B13R1.447 CCOC(=O)CCCNC1CC1C c7236294dfb62baa7a731e8b511a9b04 [0,1,0,1,0,0|2,0,0]=4 10624 B13R1.447 CCOC(=O)CCOCC1CC1C 82083b9875bc724b46c65eb0d293c55c [0,1,0,1,0,0|2,0,0]=4 10625 B13R1.447 CCOC(=O)CCOC[C@@H]1C[C@@H]1C 2f98871a44b3501f4b00fd6288dab915 [0,1,0,1,0,0|2,0,0]=4 10626 B13R1.447 CCOC(=O)CCOC[C@@H]1C[C@H]1C 014182406cb4556e8a3b4392b943f51b [0,1,0,1,0,0|2,0,0]=4 10627 B13R1.447 CCOC(=O)CCOC[C@H]1C[C@@H]1C 47d2afe82e96f287e5a816e42bce0d4b [0,1,0,1,0,0|2,0,0]=4 10628 B13R1.447 CCOC(=O)OCOCC1CC1C 0534111d6addf806e494b0153777479c [0,1,0,1,0,0|1,0,0]=3 10629 B13R1.447 CCOC(=O)OCOC[C@@H]1C[C@@H]1C 2bb4c469eeee87a0089ff4c4eed3899a [0,1,0,1,0,0|1,0,0]=3 10630 B13R1.447 CCOC(=O)OCOC[C@@H]1C[C@@H]1F 32688babb6c6c43e7005ab0fe100262f [0,1,0,1,0,0|2,0,0]=4 10631 B13R1.447 CCOC(=O)OCOC[C@@H]1C[C@H]1C ab87f50526e735863d39a8989a3c3827 [0,1,0,1,0,0|1,0,0]=3 10632 B13R1.447 CCOC(=O)OCOC[C@@H]1C[C@H]1F 83a423d1fb1d94d5ba461834e96e310c [0,1,0,1,0,0|2,0,0]=4 10633 B13R1.447 CCOC(=O)OCOC[C@H]1C[C@@H]1C a6e57caaf8b4402be7338c47fe7a943c [0,1,0,1,0,0|1,0,0]=3 10634 B13R1.447 CCOC(=O)OCOC[C@H]1C[C@@H]1F 8123bf7543fc9526b07a02a40e537e7d [0,1,0,1,0,0|2,0,0]=4 10635 B13R1.447 CCOC(=O)OCOC[C@H]1C[C@H]1F dee473f6a865c95cccb6012bf7efb140 [0,1,0,1,0,0|2,0,0]=4 10636 B13R1.447 CCSC(=O)OCOCC1CC1C 89b5ca44271d4d59da26b187a10b267f [0,1,0,1,0,0|1,0,0]=3 10637 B13R1.447 CCSC(=O)OCOC[C@@H]1C[C@@H]1C e855f7ff45d9f8d253b18bd4a6e19c6f [0,1,0,1,0,0|1,0,0]=3 10638 B13R1.447 CCSC(=O)OCOC[C@@H]1C[C@@H]1F 825ffa01f45915acddf0d6f376d21867 [0,1,0,1,0,0|2,0,0]=4 10639 B13R1.447 CCSC(=O)OCOC[C@@H]1C[C@H]1C 72f4b5376d3a92a7b8a813545bddea56 [0,1,0,1,0,0|1,0,0]=3 10640 B13R1.447 CCSC(=O)OCOC[C@@H]1C[C@H]1F 468c494cece8cbd80a05f781f52759c3 [0,1,0,1,0,0|2,0,0]=4 10641 B13R1.447 CCSC(=O)OCOC[C@H]1C[C@@H]1C 32f082c1246bc8ae9e7300644ee11452 [0,1,0,1,0,0|1,0,0]=3 10642 B13R1.447 CCSC(=O)OCOC[C@H]1C[C@@H]1F fa40db17c4a1b6873c89c6f2c0d9ea7d [0,1,0,1,0,0|2,0,0]=4 10643 B13R1.447 CCSC(=O)OCOC[C@H]1C[C@H]1F 281c5f2c4608949add5bf76f9b735c6a [0,1,0,1,0,0|2,0,0]=4 10644 B13R1.448 CCCC(=O)CNCCC1CCC1 7233806a19aa05bbf833b7ee21110aa5 [0,1,0,1,0,0|1,0,0]=3 10645 B13R1.448 CCCC(=O)CNCCC1CCO1 661f2be41339f6e02aa341011d3a3074 [0,1,0,1,0,0|2,0,0]=4 10646 B13R1.448 CCCC(=O)CNCCC1COC1 872180aa0e3d5e93724351ee3c589bb2 [0,1,0,1,0,0|2,0,0]=4 10647 B13R1.448 CCCC(=O)CNCCN1CCC1 e960b626903787e4ef92c16a4f42c369 [0,1,0,1,0,0|2,0,0]=4 10648 B13R1.448 CCCC(=O)CNCC[C@@H]1CCO1 39524392a7923a227285813420b5aeea [0,1,0,1,0,0|2,0,0]=4 10649 B13R1.448 CCCC(=O)COCCC1CCC1 a6ad8af4491283e3bf83511c1f807246 [0,1,0,1,0,0|0,0,0]=2 10650 B13R1.448 CCCC(=O)COCCC1CCO1 0690ad0a0bd168931bfcea1d26c855b2 [0,1,0,1,0,0|1,0,0]=3 10651 B13R1.448 CCCC(=O)COCCC1COC1 52a37fd7286d3ab01e15a8bb699060b2 [0,1,0,1,0,0|1,0,0]=3 10652 B13R1.448 CCCC(=O)COCCN1CCC1 712007bc6b870cbf50ba80b3f94cb613 [0,1,0,1,0,0|1,0,0]=3 10653 B13R1.448 CCCC(=O)COCC[C@@H]1CCO1 b3753b8a069f4635a4db5fe7e17ebb0b [0,1,0,1,0,0|1,0,0]=3 10654 B13R1.448 CCCC(=O)COCC[C@H]1CCO1 77b173e1763751d4a65e345a0e4d25ae [0,1,0,1,0,0|1,0,0]=3 10655 B13R1.448 CCCC(=O)NCCCN1CCC1 e1e274e71854c5cd01b9b494505a9612 [0,1,0,1,0,0|1,0,0]=3 10656 B13R1.448 CCCC(=O)OCCOC1CCC1 2544bb90ca99129d49a761c0a98eedc3 [0,1,0,1,0,0|0,0,0]=2 10657 B13R1.448 CCCC(=O)OCCOC1COC1 92a747d7394e7b555b51472343da3ba7 [0,1,0,1,0,0|1,0,0]=3 10658 B13R1.448 CCCC(=O)OCNCC1CCC1 33f57cf1939f2136e511140baeb8e392 [0,1,0,1,0,0|0,0,0]=2 10659 B13R1.448 CCCC(=O)OCNCC1CCO1 0390a40a55b677fa39a14b71d2ac1848 [0,1,0,1,0,0|1,0,0]=3 10660 B13R1.448 CCCC(=O)OCNCC1COC1 5b4fb7903bfac4b0b49a73a84120b1c4 [0,1,0,1,0,0|1,0,0]=3 10661 B13R1.448 CCCC(=O)OCNC[C@@H]1CCO1 bb4a10261d44e3d2db741b726f5a8e37 [0,1,0,1,0,0|1,0,0]=3 10662 B13R1.448 CCCC(=O)OCNC[C@H]1CCO1 dacb35dd18bf2ad5756aaf5e9f5f570c [0,1,0,1,0,0|1,0,0]=3 10663 B13R1.448 CCCC(=O)OCOCC1CCC1 a6cd8cad70ff28410be6874d07b4c5f4 [0,1,0,1,0,0|0,0,0]=2 10664 B13R1.448 CCCC(=O)OCOCC1CCO1 7ede3130cb2fe11f750d3090ce26a048 [0,1,0,1,0,0|1,0,0]=3 10665 B13R1.448 CCCC(=O)OCOCC1COC1 657d42299ff8ed89f17b0f71d513a836 [0,1,0,1,0,0|1,0,0]=3 10666 B13R1.448 CCCC(=O)OCOCC1CSC1 9448b4a4ec48625118b8399d7d2dc3a1 [0,1,0,1,0,0|1,0,0]=3 10667 B13R1.448 CCCC(=O)OCOC[C@@H]1CCO1 caa02e555d0e84ad5047d027cfcb10ba [0,1,0,1,0,0|1,0,0]=3 10668 B13R1.448 CCCC(=O)OCOC[C@H]1CCO1 3152c966e3f9cc80f0b6c1459ff62e26 [0,1,0,1,0,0|1,0,0]=3 10669 B13R1.448 CCCC(=S)OCCOC1CCC1 97ec03f760e5adf1bb24875af1e03108 [0,1,0,1,0,0|0,1,0]=3 10670 B13R1.448 CCCC(C)COCCC1CCC1 f4bbbe88f0fb162d3ba023236cd7723a [0,1,0,1,0,0|1,0,1]=4 10671 B13R1.448 CCCC(C)OCCCC1CCC1 086d4f454d8736d27070d91745c0101d [0,1,0,1,0,0|1,0,1]=4 10672 B13R1.448 CCCC(C)OCCCC1COC1 e7acf39592f53512c55f96eb6d0ba1a4 [0,1,0,1,0,0|1,0,1]=4 10673 B13R1.448 CCCC(C)OCCCN1CCC1 5558130fb026a075d07897c3d49b9c0d [0,1,0,1,0,0|1,0,1]=4 10674 B13R1.448 CCCC(C)OCCOC1CCC1 7b8f87d2fa53a88908f873b2b67a21f6 [0,1,0,1,0,0|1,0,1]=4 10675 B13R1.448 CCC[C@@H](C)OCCOC1CCC1 e68696c6f8e3afe238f18febd930f438 [0,1,0,1,0,0|1,0,1]=4 10676 B13R1.448 CCC[C@H](C)OCCOC1CCC1 cf9ab1b3f6cebe14274355f20bd3ddf3 [0,1,0,1,0,0|1,0,1]=4 10677 B13R1.448 CCNC(=O)CCNCC1CCC1 887b7662a0268b81b6f7dffbe8102809 [0,1,0,1,0,0|2,0,0]=4 10678 B13R1.448 CCNC(=O)CCOCC1CCC1 debfc7078d612c2d2a3fb762233c8725 [0,1,0,1,0,0|2,0,0]=4 10679 B13R1.448 CCNC(=O)CNCCC1CCC1 964a36fa05dadc5d4e7559daf319bc7c [0,1,0,1,0,0|2,0,0]=4 10680 B13R1.448 CCNC(=O)COCCC1CCC1 c0849cd8f2c1fd0963503533f09813e6 [0,1,0,1,0,0|1,0,0]=3 10681 B13R1.448 CCNC(=O)COCCC1CCO1 0d7d28347b7ddd1bb9d182cffe14a3a0 [0,1,0,1,0,0|2,0,0]=4 10682 B13R1.448 CCNC(=O)COCCC1COC1 a0b7ce21c617fc90fc85ee7bcd318d82 [0,1,0,1,0,0|2,0,0]=4 10683 B13R1.448 CCNC(=O)COCCN1CCC1 5e1df3ee4c7190a60d97b87c60d0fdb4 [0,1,0,1,0,0|2,0,0]=4 10684 B13R1.448 CCNC(=O)COCC[C@@H]1CCO1 153a3e0576136afca12b0ecb505f4e37 [0,1,0,1,0,0|2,0,0]=4 10685 B13R1.448 CCNC(=O)COCC[C@H]1CCO1 692075775220f3470129366cebf64a01 [0,1,0,1,0,0|2,0,0]=4 10686 B13R1.448 CCOC(=O)CCCCN1CCC1 f43b0334ef2a45dcbaf067fed937feff [0,1,0,1,0,0|2,0,0]=4 10687 B13R1.448 CCOC(=O)CCCNC1CCC1 df34c2d078093c70246e15d8737591d7 [0,1,0,1,0,0|2,0,0]=4 10688 B13R1.448 CCOC(=O)CCCOC1CCC1 9c2bd61195ed0e041325f761ad8edb97 [0,1,0,1,0,0|2,0,0]=4 10689 B13R1.448 CCOC(=O)CCNCC1CCC1 2d5875bdef89cff77a469d9737ea67ff [0,1,0,1,0,0|2,0,0]=4 10690 B13R1.448 CCOC(=O)CCOCC1CCC1 8e67449fbf6edd6efce7b20b4a88b86e [0,1,0,1,0,0|2,0,0]=4 10691 B13R1.448 CCOC(=O)CNCCC1CCC1 ac88be3c9375bc029f275ccc0afd2247 [0,1,0,1,0,0|2,0,0]=4 10692 B13R1.448 CCOC(=O)COCCC1CCC1 caf2d355d3ad89cdae9f167cb232519a [0,1,0,1,0,0|1,0,0]=3 10693 B13R1.448 CCOC(=O)COCCC1CCO1 6df39ca390459607730abff383882538 [0,1,0,1,0,0|2,0,0]=4 10694 B13R1.448 CCOC(=O)COCCC1COC1 65f900d1933f967de4a0e0e8d189f188 [0,1,0,1,0,0|2,0,0]=4 10695 B13R1.448 CCOC(=O)COCCN1CCC1 113b22193670e25fcec8dc11032a2eba [0,1,0,1,0,0|2,0,0]=4 10696 B13R1.448 CCOC(=O)COCC[C@@H]1CCO1 28f954b1468ecd7dbcc970e465f2b1f7 [0,1,0,1,0,0|2,0,0]=4 10697 B13R1.448 CCOC(=O)COCC[C@H]1CCO1 31f4b4f365ca7c8664ab049ef33bfcb6 [0,1,0,1,0,0|2,0,0]=4 10698 B13R1.448 CCOC(=O)OCNCC1CCC1 258a98575aaf95585ad2995a65029b8c [0,1,0,1,0,0|1,0,0]=3 10699 B13R1.448 CCOC(=O)OCNCC1CCO1 d0cb3356c09ecd8df0437ab06787baae [0,1,0,1,0,0|2,0,0]=4 10700 B13R1.448 CCOC(=O)OCNCC1COC1 df13cb045ca2ac5b24c29a7fc4a975cf [0,1,0,1,0,0|2,0,0]=4 10701 B13R1.448 CCOC(=O)OCNC[C@@H]1CCO1 db44c336a38fd316cb66177827a9810c [0,1,0,1,0,0|2,0,0]=4 10702 B13R1.448 CCOC(=O)OCNC[C@H]1CCO1 5a283ac6452784f42ecd1c5e41ee226a [0,1,0,1,0,0|2,0,0]=4 10703 B13R1.448 CCOC(=O)OCOCC1CCC1 15c2cc2921fc00ab4edcc83bd5f792c5 [0,1,0,1,0,0|1,0,0]=3 10704 B13R1.448 CCOC(=O)OCOCC1CCO1 08d5f99d8be5c98cd1dbaea1f2666aa5 [0,1,0,1,0,0|2,0,0]=4 10705 B13R1.448 CCOC(=O)OCOCC1COC1 12c57797cf2704f7d46dfc90f59a3b91 [0,1,0,1,0,0|2,0,0]=4 10706 B13R1.448 CCOC(=O)OCOCC1CSC1 16899066f3ca6fd7aff9f2995cbda9cf [0,1,0,1,0,0|2,0,0]=4 10707 B13R1.448 CCOC(=O)OCOC[C@@H]1CCO1 97f1f0d38e59eae0b645b3a0faa7aff8 [0,1,0,1,0,0|2,0,0]=4 10708 B13R1.448 CCOC(=O)OCOC[C@H]1CCO1 8a05e29cfba7731d1fc8bd303a6a2efe [0,1,0,1,0,0|2,0,0]=4 10709 B13R1.448 CCSC(=O)OCNCC1CCC1 467488546b6ce799aafcdc701e896b08 [0,1,0,1,0,0|1,0,0]=3 10710 B13R1.448 CCSC(=O)OCNCC1CCO1 ac64bd063cc096fc1caffab01dc00ebb [0,1,0,1,0,0|2,0,0]=4 10711 B13R1.448 CCSC(=O)OCNCC1COC1 d97b77aee6a1a8d1220350f78a5a1537 [0,1,0,1,0,0|2,0,0]=4 10712 B13R1.448 CCSC(=O)OCNC[C@@H]1CCO1 f6d5a33f440307ff043991984744c8b9 [0,1,0,1,0,0|2,0,0]=4 10713 B13R1.448 CCSC(=O)OCNC[C@H]1CCO1 3409e648c6372b7ef5d5d21f44dd404b [0,1,0,1,0,0|2,0,0]=4 10714 B13R1.448 CCSC(=O)OCOCC1CCC1 591ace058aaae6ef7c4d058bc42e9f2a [0,1,0,1,0,0|1,0,0]=3 10715 B13R1.448 CCSC(=O)OCOCC1CCO1 55af2496255a168ba5e2f4e564650839 [0,1,0,1,0,0|2,0,0]=4 10716 B13R1.448 CCSC(=O)OCOCC1COC1 63c841154690bcd79a11397d609b3a31 [0,1,0,1,0,0|2,0,0]=4 10717 B13R1.448 CCSC(=O)OCOCC1CSC1 0223b2b79bd73ddb85743231cc728c35 [0,1,0,1,0,0|2,0,0]=4 10718 B13R1.448 CCSC(=O)OCOC[C@@H]1CCO1 ad091e291013cf6e88fae116e07fa7d0 [0,1,0,1,0,0|2,0,0]=4 10719 B13R1.448 CCSC(=O)OCOC[C@H]1CCO1 2bb5cb981f816ab09fdd198347adc16e [0,1,0,1,0,0|2,0,0]=4 10720 B13R1.448 COCC(=O)CNCCC1CCC1 b57e7562756e5dbf74537a9153ad6a9a [0,1,0,1,0,0|2,0,0]=4 10721 B13R1.448 COCC(=O)COCCC1CCC1 6f36546a5d0ba30504595faf526a9b19 [0,1,0,1,0,0|1,0,0]=3 10722 B13R1.448 COCC(=O)COCCC1CCO1 7fb25104f0d56ab1035a639227fcac4b [0,1,0,1,0,0|2,0,0]=4 10723 B13R1.448 COCC(=O)COCCC1COC1 d604c73f0aba22ddcf1f246237ba1d70 [0,1,0,1,0,0|2,0,0]=4 10724 B13R1.448 COCC(=O)COCCN1CCC1 6572a8a5cfa319e14174aaa1721788d8 [0,1,0,1,0,0|2,0,0]=4 10725 B13R1.448 COCC(=O)COCC[C@@H]1CCO1 5a247da8ac6b0b79dd36b3224e53cb02 [0,1,0,1,0,0|2,0,0]=4 10726 B13R1.448 COCC(=O)COCC[C@H]1CCO1 150b40aaae7180e22ee448b41672ca4d [0,1,0,1,0,0|2,0,0]=4 10727 B13R1.448 COCC(=O)NCCCN1CCC1 15596dc2f9cab018d5deae7d814d0385 [0,1,0,1,0,0|2,0,0]=4 10728 B13R1.448 CSCC(=O)NCCCN1CCC1 1b7dc35a069329eb5f4586b8b6489c33 [0,1,0,1,0,0|2,0,0]=4 10729 B13R1.448 O=C(CCF)NCCCN1CCC1 44991b12c5b1bb4ad8017585f2e5f235 [0,1,0,1,0,0|2,0,0]=4 10730 B13R1.448 O=C(CCO)NCCCN1CCC1 6886f874168e84e4f4a5ba64c0d4398b [0,1,0,1,0,0|2,0,0]=4 10731 B13R1.448 O=C(CCS)NCCCN1CCC1 e987d53cad61a4ee1f3eb978976439d2 [0,1,0,1,0,0|2,0,0]=4 10732 B13R1.453 CCCC(=O)CNCCOC1CC1 ae6665243608f78619e8974bb5d4322c [0,1,0,1,0,0|2,0,0]=4 10733 B13R1.453 CCCC(=O)COC/C=C/C1CC1 ece980542d35bda3bd086617caa22924 [0,1,0,1,0,0|0,0,2]=4 10734 B13R1.453 CCCC(=O)COCC#CC1CC1 782f09c080cd2c7cd8a4262d089b4167 [0,1,0,1,0,0|0,0,2]=4 10735 B13R1.453 CCCC(=O)COCCCC1CC1 acc87509580ed9da2b9bbb67aef347d8 [0,1,0,1,0,0|0,0,0]=2 10736 B13R1.453 CCCC(=O)COCCOC1CC1 a7f90f3a63227237ec39d936b1727213 [0,1,0,1,0,0|1,0,0]=3 10737 B13R1.453 CCCC(=O)NCCSCC1CC1 2af2b243f2bc4a6fa5415cb67b7895c7 [0,1,0,1,0,0|1,0,0]=3 10738 B13R1.453 CCCC(=O)OCCOCC1CC1 e98d685dc705959c13e62debdc698679 [0,1,0,1,0,0|0,0,0]=2 10739 B13R1.453 CCCC(=O)OCNCCC1CC1 919531d672bd2b414943eb350d76df5f [0,1,0,1,0,0|0,0,0]=2 10740 B13R1.453 CCCC(=O)OCNCCN1CC1 8fe8e9ba194d821b46ba6b08bac0e77d [0,1,0,1,0,0|1,0,0]=3 10741 B13R1.453 CCCC(=O)OCOCCC1CC1 eeafd0ea11229f9c063d52df60a56075 [0,1,0,1,0,0|0,0,0]=2 10742 B13R1.453 CCCC(=O)OCOCCN1CC1 12725732fa22dd5312e39bfc92906a14 [0,1,0,1,0,0|1,0,0]=3 10743 B13R1.453 CCCC(=S)OCCCC=C1CC1 b98a94d6b7c5fb44bc60323100bcc3ee [0,1,0,1,0,0|0,1,1]=4 10744 B13R1.453 CCCC(C)COCCCC1CC1 b40ec2cc929772977d637ea6175edfa1 [0,1,0,1,0,0|1,0,1]=4 10745 B13R1.453 CCCC(C)OCCCSC1CC1 b89f6858b9a3126df5d9366d16cf2b22 [0,1,0,1,0,0|1,0,1]=4 10746 B13R1.453 CCCC(C)OCCOCC1CC1 de672a42f0ac7d05c40c654a1aea85c6 [0,1,0,1,0,0|1,0,1]=4 10747 B13R1.453 CCNC(=O)CCNCCC1CC1 b75f294367044548c6bcb8031b38a1e3 [0,1,0,1,0,0|2,0,0]=4 10748 B13R1.453 CCNC(=O)CCOCCC1CC1 206fa6a5fe7fdba81e11de4cdc9b9bf0 [0,1,0,1,0,0|2,0,0]=4 10749 B13R1.453 CCNC(=O)COCCCC1CC1 6aa1ebfad60b92a2178be34a187f1b88 [0,1,0,1,0,0|1,0,0]=3 10750 B13R1.453 CCNC(=O)COCCOC1CC1 3ceac3331d3b5081ef2f2e625881d67e [0,1,0,1,0,0|2,0,0]=4 10751 B13R1.453 CCOC(=O)CCCCNC1CC1 33c9721ee5c725e089512959f55fe9b5 [0,1,0,1,0,0|2,0,0]=4 10752 B13R1.453 CCOC(=O)CCCCOC1CC1 41d7a4d935a5025c2e3762d25a9ec42e [0,1,0,1,0,0|2,0,0]=4 10753 B13R1.453 CCOC(=O)CCCNCC1CC1 05a1da32e7183dd7dbb61e292b7b02d8 [0,1,0,1,0,0|2,0,0]=4 10754 B13R1.453 CCOC(=O)CCCOCC1CC1 df035b7be9e1b8a6775ebd1744e1ef40 [0,1,0,1,0,0|2,0,0]=4 10755 B13R1.453 CCOC(=O)CCNCCC1CC1 4a83cf8cfed1268f9cff69bfa6d02736 [0,1,0,1,0,0|2,0,0]=4 10756 B13R1.453 CCOC(=O)CCOCCC1CC1 1f693dd5686afea2429f70d775a9876c [0,1,0,1,0,0|2,0,0]=4 10757 B13R1.453 CCOC(=O)COCCCC1CC1 af93b06c427590c4df1835b26893e6aa [0,1,0,1,0,0|1,0,0]=3 10758 B13R1.453 CCOC(=O)COCCOC1CC1 e2738f94696b35857fe075ac0e40707e [0,1,0,1,0,0|2,0,0]=4 10759 B13R1.453 CCOC(=O)OCNCCC1CC1 b38994809c2d9061faac26a70863448c [0,1,0,1,0,0|1,0,0]=3 10760 B13R1.453 CCOC(=O)OCNCCN1CC1 a5e85bba9e7691c5db81ce92fd5419b4 [0,1,0,1,0,0|2,0,0]=4 10761 B13R1.453 CCOC(=O)OCOCCC1CC1 2fa420dcf14976dd36202b0fb7fdc266 [0,1,0,1,0,0|1,0,0]=3 10762 B13R1.453 CCOC(=O)OCOCCN1CC1 a585a6bf973fbfd20a214d6e0dad0349 [0,1,0,1,0,0|2,0,0]=4 10763 B13R1.453 CCSC(=O)OCNCCC1CC1 b90306fb1ba34a28e5e5a5c199452253 [0,1,0,1,0,0|1,0,0]=3 10764 B13R1.453 CCSC(=O)OCNCCN1CC1 a3de1815f7d2ae550793cf01dff9d0b2 [0,1,0,1,0,0|2,0,0]=4 10765 B13R1.453 CCSC(=O)OCOCCC1CC1 03a636621b0e195955c3fac9880bee73 [0,1,0,1,0,0|1,0,0]=3 10766 B13R1.453 CCSC(=O)OCOCCN1CC1 f06ec2fc0643a3591e7eaf291e4028df [0,1,0,1,0,0|2,0,0]=4 10767 B13R1.453 COCC(=O)COCCCC1CC1 85815fd1f342968ed14ff1f43028195f [0,1,0,1,0,0|1,0,0]=3 10768 B13R1.453 COCC(=O)COCCOC1CC1 b7dd522a9278e924e6694ce9ec948671 [0,1,0,1,0,0|2,0,0]=4 10769 B13R1.453 COCC(=O)NCCSCC1CC1 fa6b19607631ed52542f5fb38d1e2815 [0,1,0,1,0,0|2,0,0]=4 10770 B13R1.453 CSCC(=O)NCCSCC1CC1 a2e40856a8a0b0cd5508246d2c465431 [0,1,0,1,0,0|2,0,0]=4 10771 B13R1.453 O=C(CCF)NCCSCC1CC1 f179ce65b639dc53067b35ff27b77945 [0,1,0,1,0,0|2,0,0]=4 10772 B13R1.453 O=C(CCO)NCCSCC1CC1 ea2076768a4ca4a31625b838ea14739a [0,1,0,1,0,0|2,0,0]=4 10773 B13R1.453 O=C(CCS)NCCSCC1CC1 99b198c0138945c27d0a2c947b1ae66b [0,1,0,1,0,0|2,0,0]=4 10774 B13R1.461 CCCC(=O)CNCC1CCN1C f918ccf260d13a1cd54a30f1fc3dde78 [0,1,0,1,0,0|2,0,0]=4 10775 B13R1.461 CCCC(=O)COCC1CCC1=O 74e1e1a70f0d214ac8c32490260a7349 [0,1,0,1,0,0|1,0,1]=4 10776 B13R1.461 CCCC(=O)COCC1CCC1F 2da0929853ec21a4ee5d5001670a064d [0,1,0,1,0,0|1,0,0]=3 10777 B13R1.461 CCCC(=O)COCC1CCN1C 4083d6c3bc55dfb0062d678ec537189b [0,1,0,1,0,0|1,0,0]=3 10778 B13R1.461 CCCC(=O)COC[C@@H]1CCN1C f1412e717e50281047fe32e33e153c04 [0,1,0,1,0,0|1,0,0]=3 10779 B13R1.461 CCCC(=O)COC[C@H]1CCN1C a1f73d8ce839e715ccd72c4dce76c063 [0,1,0,1,0,0|1,0,0]=3 10780 B13R1.461 CCCC(=O)OCNC1CCC1F ecbe396ca9952960fdc84a15fcd08457 [0,1,0,1,0,0|1,0,0]=3 10781 B13R1.461 CCCC(=O)OCNC1CCC1O a66238e5845019b8de5466e130bec537 [0,1,0,1,0,0|1,0,0]=3 10782 B13R1.461 CCCC(=O)OCN[C@@H]1CC[C@@H]1O 026ad5bf3efdd113799433466d450aa8 [0,1,0,1,0,0|1,0,0]=3 10783 B13R1.461 CCCC(=O)OCN[C@@H]1CC[C@H]1C 8196f4024b1a67fc6d96ff2188b77244 [0,1,0,1,0,0|0,0,0]=2 10784 B13R1.461 CCCC(=O)OCN[C@@H]1CC[C@H]1O 0f0f2f98f4b17b681b768287326e4cd0 [0,1,0,1,0,0|1,0,0]=3 10785 B13R1.461 CCCC(=O)OCN[C@H]1CC[C@@H]1O 36819c9c2336c4f476113723df8e9190 [0,1,0,1,0,0|1,0,0]=3 10786 B13R1.461 CCCC(=O)OCN[C@H]1CC[C@H]1C ca6b9ad187538bd9041d9d8cf779c39b [0,1,0,1,0,0|0,0,0]=2 10787 B13R1.461 CCCC(=O)OCN[C@H]1CC[C@H]1O 7a42d422a93b3d6a8afd13c1fe553c70 [0,1,0,1,0,0|1,0,0]=3 10788 B13R1.461 CCCC(=O)OCOC1COC1C 91e30ba7ede8142e44fb4ac632c825db [0,1,0,1,0,0|1,0,0]=3 10789 B13R1.461 CCCC(=S)OCCC1CCC1=O 33016af523725356a51b070f8c3ee179 [0,1,0,1,0,0|0,1,1]=4 10790 B13R1.461 CCNC(=O)CCN[C@@H]1CC[C@H]1C 67a602a88900e88d644babd45d8fc141 [0,1,0,1,0,0|2,0,0]=4 10791 B13R1.461 CCNC(=O)CCN[C@H]1CC[C@H]1C b06d015e932b005776b5474ea86e2d08 [0,1,0,1,0,0|2,0,0]=4 10792 B13R1.461 CCNC(=O)COCC1CCC1F dbdff5e24a202b0af4f1214e1b7717f2 [0,1,0,1,0,0|2,0,0]=4 10793 B13R1.461 CCNC(=O)COCC1CCN1C 6ac1be375750ec905405b78a19871af3 [0,1,0,1,0,0|2,0,0]=4 10794 B13R1.461 CCNC(=O)COC[C@@H]1CCN1C 36e47b06ca98778e3a96e6f7715ad6e4 [0,1,0,1,0,0|2,0,0]=4 10795 B13R1.461 CCNC(=O)COC[C@H]1CCN1C 050e847bc4898813856befe711a88595 [0,1,0,1,0,0|2,0,0]=4 10796 B13R1.461 CCOC(=O)CCN[C@@H]1CC[C@H]1C 3da4c24a0f2b730e57e783a4d46ada48 [0,1,0,1,0,0|2,0,0]=4 10797 B13R1.461 CCOC(=O)CCN[C@H]1CC[C@H]1C 67220a781bb0006baa34c5347240423a [0,1,0,1,0,0|2,0,0]=4 10798 B13R1.461 CCOC(=O)COCC1CCC1F 2add568e2cb78ccb5b918b59054aab27 [0,1,0,1,0,0|2,0,0]=4 10799 B13R1.461 CCOC(=O)COCC1CCN1C dbc9b3db9f165cdbc9b2a83cb695b2ae [0,1,0,1,0,0|2,0,0]=4 10800 B13R1.461 CCOC(=O)COC[C@@H]1CCN1C 13646a546171b7b9d5bc9cb352e9e06a [0,1,0,1,0,0|2,0,0]=4 10801 B13R1.461 CCOC(=O)COC[C@H]1CCN1C 936e4ed3b0b287840d39ef4a3730241c [0,1,0,1,0,0|2,0,0]=4 10802 B13R1.461 CCOC(=O)OCNC1CCC1F 1767194966e8388b13a2dd65e2dc58f3 [0,1,0,1,0,0|2,0,0]=4 10803 B13R1.461 CCOC(=O)OCNC1CCC1O ce3a408e36fc1a32e819176fe8eb9ff9 [0,1,0,1,0,0|2,0,0]=4 10804 B13R1.461 CCOC(=O)OCNC1COC1C 646ecfe753d484085f928ff42a8d9b2a [0,1,0,1,0,0|2,0,0]=4 10805 B13R1.461 CCOC(=O)OCN[C@@H]1CC[C@@H]1O 1b99a30e277cb1b6fbe3070e27ac7a57 [0,1,0,1,0,0|2,0,0]=4 10806 B13R1.461 CCOC(=O)OCN[C@@H]1CC[C@H]1C d86e23771709656045cc9ef1977e3c8b [0,1,0,1,0,0|1,0,0]=3 10807 B13R1.461 CCOC(=O)OCN[C@@H]1CC[C@H]1O 7abacb12a0a71a004f1c7a93488a00fd [0,1,0,1,0,0|2,0,0]=4 10808 B13R1.461 CCOC(=O)OCN[C@H]1CC[C@@H]1O f18a38e6e54f460fe3d3000246a2eeea [0,1,0,1,0,0|2,0,0]=4 10809 B13R1.461 CCOC(=O)OCN[C@H]1CC[C@H]1C 94d930b3871bdb2f56f33a3f319bef5c [0,1,0,1,0,0|1,0,0]=3 10810 B13R1.461 CCOC(=O)OCN[C@H]1CC[C@H]1O 3162a725739a1cbc6bef6e1826efd268 [0,1,0,1,0,0|2,0,0]=4 10811 B13R1.461 CCOC(=O)OCOC1COC1C 1e9b4210c84bd4eac0d437c8e9db1b65 [0,1,0,1,0,0|2,0,0]=4 10812 B13R1.461 CCSC(=O)OCNC1CCC1F 47a36c9534a2eadf31a3f3107f24e20c [0,1,0,1,0,0|2,0,0]=4 10813 B13R1.461 CCSC(=O)OCNC1CCC1O 79a9b62406a76cc1b05d4d03fc735e52 [0,1,0,1,0,0|2,0,0]=4 10814 B13R1.461 CCSC(=O)OCNC1COC1C 83a79e38405c7c2f58a46f568102b347 [0,1,0,1,0,0|2,0,0]=4 10815 B13R1.461 CCSC(=O)OCN[C@@H]1CC[C@@H]1O 5be4f3c522160320f157f2d5dbf45f85 [0,1,0,1,0,0|2,0,0]=4 10816 B13R1.461 CCSC(=O)OCN[C@@H]1CC[C@H]1C 7a816d15d96d5612d5ae882586065b2b [0,1,0,1,0,0|1,0,0]=3 10817 B13R1.461 CCSC(=O)OCN[C@@H]1CC[C@H]1O 8681830b55de4ac49607ec533955607e [0,1,0,1,0,0|2,0,0]=4 10818 B13R1.461 CCSC(=O)OCN[C@H]1CC[C@@H]1O 8d2680282caf3005704a5a57617b52e0 [0,1,0,1,0,0|2,0,0]=4 10819 B13R1.461 CCSC(=O)OCN[C@H]1CC[C@H]1C a527c2ea58ce8accc61322b08a8316b9 [0,1,0,1,0,0|1,0,0]=3 10820 B13R1.461 CCSC(=O)OCN[C@H]1CC[C@H]1O 29179913b16598e594a4b490452326b7 [0,1,0,1,0,0|2,0,0]=4 10821 B13R1.461 CCSC(=O)OCOC1COC1C 75dbd2671d92169ae046ffe417f7b9db [0,1,0,1,0,0|2,0,0]=4 10822 B13R1.461 COCC(=O)COCC1CCC1F ceac1c3c3485243b8ab035c7023608e1 [0,1,0,1,0,0|2,0,0]=4 10823 B13R1.461 COCC(=O)COCC1CCN1C 97ad502e0ab13e74d55a03e204b9b7e5 [0,1,0,1,0,0|2,0,0]=4 10824 B13R1.461 COCC(=O)COC[C@@H]1CCN1C 10cc77597a19c8f2017c6e67c7c52a5c [0,1,0,1,0,0|2,0,0]=4 10825 B13R1.461 COCC(=O)COC[C@H]1CCN1C 7c21bd2c245f933493baf99e9c265a74 [0,1,0,1,0,0|2,0,0]=4 10826 B13R1.463 CC1CCCCCN1C(=O)CCF 7c8a150c90353fca98cfb4fc5ccbb18e [0,1,0,1,0,0|2,0,0]=4 10827 B13R1.463 CC1CCCCCN1C(=O)CCO 6154346fa7d934c408e8bdf16cb625bb [0,1,0,1,0,0|2,0,0]=4 10828 B13R1.463 CC1CCCCCN1C(=O)CCS 31c2e03e0fbe33a4be4acbadf80065ce [0,1,0,1,0,0|2,0,0]=4 10829 B13R1.463 CC1CCOCCN1C(=O)CCF 75fdbebb7058166bf45b876e91364e1b [0,1,0,1,0,0|2,0,0]=4 10830 B13R1.463 CC1CCOCCN1C(=O)CCO 27f982510dd5c8c174511b64770ab720 [0,1,0,1,0,0|2,0,0]=4 10831 B13R1.463 CC1CCOCCN1C(=O)CCS 9240c3d9640ca931c2ff5d3c3ccbf49e [0,1,0,1,0,0|2,0,0]=4 10832 B13R1.463 CC1CCSCCN1C(=O)CCF 2b32c96da2cb8f959591489b4337c494 [0,1,0,1,0,0|2,0,0]=4 10833 B13R1.463 CC1CCSCCN1C(=O)CCO 97ef3b73143c720ce04440ea978652e4 [0,1,0,1,0,0|2,0,0]=4 10834 B13R1.463 CC1CCSCCN1C(=O)CCS c7f9fe813c9887cc969fcf1953ab53c2 [0,1,0,1,0,0|2,0,0]=4 10835 B13R1.463 CC1COCCCN1C(=O)CCF dc215cb28b0f0791902ee6803381621c [0,1,0,1,0,0|2,0,0]=4 10836 B13R1.463 CC1COCCCN1C(=O)CCO 687cd75a510c2d07781adb0b631bf557 [0,1,0,1,0,0|2,0,0]=4 10837 B13R1.463 CC1COCCCN1C(=O)CCS 49810d851f97640bc50fdab4705df428 [0,1,0,1,0,0|2,0,0]=4 10838 B13R1.463 CCCC(=O)N1CCCCCC1C e7849529dc4ac19be32f1e42d7b16a88 [0,1,0,1,0,0|1,0,0]=3 10839 B13R1.463 CCCC(=O)N1CCCOCC1C ca0ac8ca3afb3c3ee6e3597da4b457c0 [0,1,0,1,0,0|1,0,0]=3 10840 B13R1.463 CCCC(=O)N1CCOCCC1C 83ec2c3cece2ade7e623547b13c2f03c [0,1,0,1,0,0|1,0,0]=3 10841 B13R1.463 CCCC(=O)N1CCSCCC1C 8b2eb387230bfa98cbf9610e4d9333f3 [0,1,0,1,0,0|1,0,0]=3 10842 B13R1.463 COCC(=O)N1CCCCCC1C a48a8bfacefa810c330218b82fc06d91 [0,1,0,1,0,0|2,0,0]=4 10843 B13R1.463 COCC(=O)N1CCCOCC1C b8794bc5807488a33883cad6d768567c [0,1,0,1,0,0|2,0,0]=4 10844 B13R1.463 COCC(=O)N1CCOCCC1C 4fcaeaefadb5483b907cdda7b378303d [0,1,0,1,0,0|2,0,0]=4 10845 B13R1.463 CSCC(=O)N1CCCCCC1C e2c3812c301bd1e6d4ffdb66543b5891 [0,1,0,1,0,0|2,0,0]=4 10846 B13R1.463 CSCC(=O)N1CCCOCC1C 75885635179f5f065c5c5cc39717d15c [0,1,0,1,0,0|2,0,0]=4 10847 B13R1.463 CSCC(=O)N1CCOCCC1C 4c0fb78fbacdc561954427894d79f703 [0,1,0,1,0,0|2,0,0]=4 10848 B13R1.464 C#CC1CCCCN1C(=O)CCC 02638771b233d43138cb6b273b8a1b6f [0,1,0,1,0,0|1,0,1]=4 10849 B13R1.464 CCC1CCCCN1C(=O)CCF 2381c0a01468320b2d772ad941065255 [0,1,0,1,0,0|2,0,0]=4 10850 B13R1.464 CCC1CCCCN1C(=O)CCO 012128402af08d9ff5bae91266969651 [0,1,0,1,0,0|2,0,0]=4 10851 B13R1.464 CCC1CCCCN1C(=O)CCS 5faeec06554f8a440c6444d8e535cc2e [0,1,0,1,0,0|2,0,0]=4 10852 B13R1.464 CCC1CCCCN1C(=O)COC e0126eb77124f30d8e8a677af2f2c811 [0,1,0,1,0,0|2,0,0]=4 10853 B13R1.464 CCC1CCCCN1C(=O)CSC b779d855ed4cc78626f95e1017515d97 [0,1,0,1,0,0|2,0,0]=4 10854 B13R1.464 CCC1COCCN1C(=O)CCF 3059e2128dc7e178b9bbf662d2b1f12c [0,1,0,1,0,0|2,0,0]=4 10855 B13R1.464 CCC1COCCN1C(=O)CCO 96a56cde31ac1b242e6f9a307195d92a [0,1,0,1,0,0|2,0,0]=4 10856 B13R1.464 CCC1COCCN1C(=O)CCS 83772cc24e34175e29377872db28383d [0,1,0,1,0,0|2,0,0]=4 10857 B13R1.464 CCC1COCCN1C(=O)COC 40730796c5379e2f059ca99ca4341c27 [0,1,0,1,0,0|2,0,0]=4 10858 B13R1.464 CCC1COCCN1C(=O)CSC b136e3f2fbc62059adadf0bcd02266e1 [0,1,0,1,0,0|2,0,0]=4 10859 B13R1.464 CCCC(=O)N1CCCCC1C#N e5cbdcd39989f5b0d9ba5f3d631be6ea [0,1,0,1,0,0|1,0,1]=4 10860 B13R1.464 CCCC(=O)N1CCCCC1C=O cc1db6232b399a36b387d0ad725aa894 [0,1,0,1,0,0|1,0,1]=4 10861 B13R1.464 CCCC(=O)N1CCCCC1CC c8095af7f69837102d67b265ff76d42b [0,1,0,1,0,0|1,0,0]=3 10862 B13R1.464 CCCC(=O)N1CCCCC1CO d4323c1c7c9cdbc46dbc45d2dc8e51b5 [0,1,0,1,0,0|1,0,0]=3 10863 B13R1.464 CCCC(=O)N1CCCC[C@@H]1C#N eed8f29f223df2c9752b187e1bae2952 [0,1,0,1,0,0|1,0,1]=4 10864 B13R1.464 CCCC(=O)N1CCCC[C@@H]1CC c5a5c956adc2d1c648a4baf0b3daa045 [0,1,0,1,0,0|1,0,0]=3 10865 B13R1.464 CCCC(=O)N1CCCC[C@@H]1CO 92a2793e75ada6a3a778c761be1c014c [0,1,0,1,0,0|1,0,0]=3 10866 B13R1.464 CCCC(=O)N1CCCC[C@H]1C#N f6b9d036026e5cea9feb82efc7513084 [0,1,0,1,0,0|1,0,1]=4 10867 B13R1.464 CCCC(=O)N1CCCC[C@H]1CC a1b1c2bf3cd8dc6bfdc24fe9f52b8cb5 [0,1,0,1,0,0|1,0,0]=3 10868 B13R1.464 CCCC(=O)N1CCCC[C@H]1CO c1b45a6d0bb8d0f31a5becce0f8e2826 [0,1,0,1,0,0|1,0,0]=3 10869 B13R1.464 CCCC(=O)N1CCOCC1CC 73b0822699d4acb57ca7a7ab8639898f [0,1,0,1,0,0|1,0,0]=3 10870 B13R1.464 CCCC(=O)N1CCOCC1CO 5bd28565add1ba63262148129fff9ad8 [0,1,0,1,0,0|2,0,0]=4 10871 B13R1.464 CCCC(=O)N1CCOC[C@@H]1CC 0a83f90f6f48c95ff630f00a0c87d175 [0,1,0,1,0,0|1,0,0]=3 10872 B13R1.464 CCCC(=O)N1CCOC[C@@H]1CO 3313cc0ae5b67a2870bbc8ff2bc60e08 [0,1,0,1,0,0|2,0,0]=4 10873 B13R1.464 CCCC(=O)N1CCOC[C@H]1CC 2f40074efb224bbc836b2d7609169d8b [0,1,0,1,0,0|1,0,0]=3 10874 B13R1.464 CCCC(=O)N1CCOC[C@H]1CO 8d4682df131633dd81ad504d0a72527e [0,1,0,1,0,0|2,0,0]=4 10875 B13R1.464 CCOC(=O)C1CCCCN1CC 2ec2db69c223b3b40c8791450e08567b [0,1,0,1,0,0|2,0,0]=4 10876 B13R1.464 CCOC(=O)[C@@H]1CCCCN1CC dd3817f72e0c8772e76af26e818c433b [0,1,0,1,0,0|2,0,0]=4 10877 B13R1.464 CCOC(=O)[C@H]1CCCCN1CC 105d459dbbf4bc4850a4b5e84896cb04 [0,1,0,1,0,0|2,0,0]=4 10878 B13R1.464 CC[C@@H]1CCCCN1C(=O)CCF 0421041409c7ed62ff86fb859413e8d8 [0,1,0,1,0,0|2,0,0]=4 10879 B13R1.464 CC[C@@H]1CCCCN1C(=O)CCO 20a03c4784c652faa7c24496e1e5025b [0,1,0,1,0,0|2,0,0]=4 10880 B13R1.464 CC[C@@H]1CCCCN1C(=O)CCS 3d6571d98ea235f3e120b8b5ebae450b [0,1,0,1,0,0|2,0,0]=4 10881 B13R1.464 CC[C@@H]1CCCCN1C(=O)COC 2a1d2534f48ec68d8a04288a0e85d2ed [0,1,0,1,0,0|2,0,0]=4 10882 B13R1.464 CC[C@@H]1CCCCN1C(=O)CSC 0aefce00793de80062947d89fcde73e2 [0,1,0,1,0,0|2,0,0]=4 10883 B13R1.464 CC[C@@H]1COCCN1C(=O)CCF 49cab8f06a1571e23235a8d5eff2b028 [0,1,0,1,0,0|2,0,0]=4 10884 B13R1.464 CC[C@@H]1COCCN1C(=O)CCO c483fdb6205e7107c305e382302d3e29 [0,1,0,1,0,0|2,0,0]=4 10885 B13R1.464 CC[C@@H]1COCCN1C(=O)CCS 822cd5cbc4f48212a843b00505cebfa8 [0,1,0,1,0,0|2,0,0]=4 10886 B13R1.464 CC[C@@H]1COCCN1C(=O)COC 6f2973362abbf6279c8a27094910d5aa [0,1,0,1,0,0|2,0,0]=4 10887 B13R1.464 CC[C@@H]1COCCN1C(=O)CSC 9405360fe772db2765ee98639d9717e9 [0,1,0,1,0,0|2,0,0]=4 10888 B13R1.464 CC[C@H]1CCCCN1C(=O)CCF 2834ce14616084a584860bdad0fddfa0 [0,1,0,1,0,0|2,0,0]=4 10889 B13R1.464 CC[C@H]1CCCCN1C(=O)CCO a511d29b5e44016ed89ff647112ea820 [0,1,0,1,0,0|2,0,0]=4 10890 B13R1.464 CC[C@H]1CCCCN1C(=O)CCS 8cf9181c152831136a1996f57d4cdaaf [0,1,0,1,0,0|2,0,0]=4 10891 B13R1.464 CC[C@H]1CCCCN1C(=O)COC 4110ccfd01856759b3a8c89e5bacf7b3 [0,1,0,1,0,0|2,0,0]=4 10892 B13R1.464 CC[C@H]1CCCCN1C(=O)CSC 9d8865f31a57c335503fb5fb80bfc876 [0,1,0,1,0,0|2,0,0]=4 10893 B13R1.464 CC[C@H]1COCCN1C(=O)CCF 018dd55e490542e2538c7182458294a3 [0,1,0,1,0,0|2,0,0]=4 10894 B13R1.464 CC[C@H]1COCCN1C(=O)CCO 1dabe256d2b368a122879437bc40c963 [0,1,0,1,0,0|2,0,0]=4 10895 B13R1.464 CC[C@H]1COCCN1C(=O)CCS 7087d303e90cabaa0e0f304641f5091d [0,1,0,1,0,0|2,0,0]=4 10896 B13R1.464 CC[C@H]1COCCN1C(=O)COC bffba5285fb8b0d548df1422178301ff [0,1,0,1,0,0|2,0,0]=4 10897 B13R1.464 CC[C@H]1COCCN1C(=O)CSC 8655872a536ed8c34dacca7f8413fa8d [0,1,0,1,0,0|2,0,0]=4 10898 B13R1.464 COCC(=O)N1CCCCC1CO a3ded7937b4dd4e1e2c73843bee31d20 [0,1,0,1,0,0|2,0,0]=4 10899 B13R1.464 COCC(=O)N1CCCC[C@@H]1CO 5fd050669870a29a23baf97db6e3c863 [0,1,0,1,0,0|2,0,0]=4 10900 B13R1.464 COCC(=O)N1CCCC[C@H]1CO 4c9f9606f54c3ff5812cce390dd550a5 [0,1,0,1,0,0|2,0,0]=4 10901 B13R1.464 CSCC(=O)N1CCCCC1CO cd2688cebf502922349071f50a387638 [0,1,0,1,0,0|2,0,0]=4 10902 B13R1.464 CSCC(=O)N1CCCC[C@@H]1CO 8cb528be5e9d680c95b78996fa88bbeb [0,1,0,1,0,0|2,0,0]=4 10903 B13R1.464 CSCC(=O)N1CCCC[C@H]1CO c5932c7a5abd734601505c5dad1243c3 [0,1,0,1,0,0|2,0,0]=4 10904 B13R1.464 O=C(CCF)N1CCCCC1CO 3ceacbc8157bd2b5c04efc5393ed24a4 [0,1,0,1,0,0|2,0,0]=4 10905 B13R1.464 O=C(CCF)N1CCCC[C@@H]1CO fd24470aac581c32c173b995336d27de [0,1,0,1,0,0|2,0,0]=4 10906 B13R1.464 O=C(CCF)N1CCCC[C@H]1CO ad37fe1783d4b6d1aba33ae7af963401 [0,1,0,1,0,0|2,0,0]=4 10907 B13R1.464 O=C(CCO)N1CCCCC1CO 07750ab1e33401da4bf9dfc5fd49f7d9 [0,1,0,1,0,0|2,0,0]=4 10908 B13R1.464 O=C(CCO)N1CCCC[C@@H]1CO 754ed122b6eea63232ebcdf5fd10a3e6 [0,1,0,1,0,0|2,0,0]=4 10909 B13R1.464 O=C(CCO)N1CCCC[C@H]1CO 1ef2c1345e22b538a46c83294a4bb473 [0,1,0,1,0,0|2,0,0]=4 10910 B13R1.464 O=C(CCS)N1CCCCC1CO b6452e140b2f13eae3ab5f5aea6176d1 [0,1,0,1,0,0|2,0,0]=4 10911 B13R1.464 O=C(CCS)N1CCCC[C@@H]1CO f9800b078a0eac1a2125735829585d18 [0,1,0,1,0,0|2,0,0]=4 10912 B13R1.464 O=C(CCS)N1CCCC[C@H]1CO ee5af3d1d6f71c37519635547f273a4b [0,1,0,1,0,0|2,0,0]=4 10913 B13R1.470 CC1CCCCC1NC(=O)CCF 9bb87c1dae86bf0d4f16daed04a7a0c9 [0,1,0,1,0,0|2,0,0]=4 10914 B13R1.470 CC1CCCCC1NC(=O)CCO 57d0f2e8930cfa4088024a28deabe665 [0,1,0,1,0,0|2,0,0]=4 10915 B13R1.470 CC1CCCCC1NC(=O)CCS f33039107bce9e1ad225de09e97efc75 [0,1,0,1,0,0|2,0,0]=4 10916 B13R1.470 CC1COCCC1NC(=O)CCF 248d3fbefb44d4ebf9fabcc1c559020f [0,1,0,1,0,0|2,0,0]=4 10917 B13R1.470 CC1COCCC1NC(=O)CCO 43a33ca74dab7b7a786acad2a54ed06a [0,1,0,1,0,0|2,0,0]=4 10918 B13R1.470 CC1COCCC1NC(=O)CCS 6e938925110e11e4966340abc1329323 [0,1,0,1,0,0|2,0,0]=4 10919 B13R1.470 CCCC(=O)CN1CCCCC1C b9a8d74e33dc7b8c8c73e697e9039d48 [0,1,0,1,0,0|1,0,0]=3 10920 B13R1.470 CCCC(=O)CN1CCCC[C@@H]1C b18e70cc08ac0325c82dce8c082f07bc [0,1,0,1,0,0|1,0,0]=3 10921 B13R1.470 CCCC(=O)CN1CCCC[C@H]1C ac0927280f9fa1b79d18bcc043df5bcf [0,1,0,1,0,0|1,0,0]=3 10922 B13R1.470 CCCC(=O)CN1CCOCC1C 800c38f190760c1231b253660b60f1e7 [0,1,0,1,0,0|2,0,0]=4 10923 B13R1.470 CCCC(=O)CN1CCOC[C@@H]1C d158af6000108842d28858813203ea90 [0,1,0,1,0,0|2,0,0]=4 10924 B13R1.470 CCCC(=O)CN1CCOC[C@H]1C b052289ed0402140eeabbde69744418d [0,1,0,1,0,0|2,0,0]=4 10925 B13R1.470 CCCC(=O)NC1CCCCC1C 75e1be7d3457d70892956679947f57d6 [0,1,0,1,0,0|1,0,0]=3 10926 B13R1.470 CCCC(=O)NC1CCCCC1O 5ffe078a5054493102c0809db25e2b9f [0,1,0,1,0,0|1,0,0]=3 10927 B13R1.470 CCCC(=O)NC1CCOCC1C 52cd2baa69f0cd08a12500a646b67833 [0,1,0,1,0,0|1,0,0]=3 10928 B13R1.470 CCCC(=O)NC1CCOCC1O 27894de5957ed5c8d16e5c6073032d9d [0,1,0,1,0,0|2,0,0]=4 10929 B13R1.470 CCCC(=O)N[C@@H]1CCCC[C@@H]1C e38ca304ac9d9d9f703d03d2aba7d6c9 [0,1,0,1,0,0|1,0,0]=3 10930 B13R1.470 CCCC(=O)N[C@@H]1CCCC[C@H]1C 52467d92ca1cdf87154f20dc7302becc [0,1,0,1,0,0|1,0,0]=3 10931 B13R1.470 CCCC(=O)N[C@@H]1CCCC[C@H]1O c5bd626190766d14ab869b2ee563d0ef [0,1,0,1,0,0|1,0,0]=3 10932 B13R1.470 CCCC(=O)N[C@@H]1CCOC[C@@H]1C f1b956b8bbd7255c191b84fa8df9ef9b [0,1,0,1,0,0|1,0,0]=3 10933 B13R1.470 CCCC(=O)N[C@@H]1CCOC[C@@H]1O 9dd5d82cbcd696cf3e57c27b005dcc51 [0,1,0,1,0,0|2,0,0]=4 10934 B13R1.470 CCCC(=O)N[C@@H]1CCOC[C@H]1F 5ce2c417fdbd67eaad431d487912b25f [0,1,0,1,0,0|2,0,0]=4 10935 B13R1.470 CCCC(=O)N[C@@H]1CCOC[C@H]1O 99aa85b97224b3304eecab673987e94b [0,1,0,1,0,0|2,0,0]=4 10936 B13R1.470 CCCC(=O)N[C@@H]1COCC[C@@H]1O 7a73a519a835da5dba2a1a4609c486b0 [0,1,0,1,0,0|2,0,0]=4 10937 B13R1.470 CCCC(=O)N[C@@H]1COCC[C@H]1O d5b419cbc2baede6685e6ea516d904c0 [0,1,0,1,0,0|2,0,0]=4 10938 B13R1.470 CCCC(=O)N[C@H]1CCCC[C@@H]1C ce41091f97c26e5133f7e1bc5c5ece67 [0,1,0,1,0,0|1,0,0]=3 10939 B13R1.470 CCCC(=O)N[C@H]1CCCC[C@@H]1O 2dbffd7d1e3badb38af7ae39ddbbdb35 [0,1,0,1,0,0|1,0,0]=3 10940 B13R1.470 CCCC(=O)N[C@H]1CCCC[C@H]1C b0c193bae776d308ad683a1200ba6743 [0,1,0,1,0,0|1,0,0]=3 10941 B13R1.470 CCCC(=O)N[C@H]1CCCC[C@H]1O 140914f1687d37ab9601824a1977e84d [0,1,0,1,0,0|1,0,0]=3 10942 B13R1.470 CCCC(=O)N[C@H]1CCOC[C@@H]1F e810c15ca5b1d99e6034d1cf5e299c39 [0,1,0,1,0,0|2,0,0]=4 10943 B13R1.470 CCCC(=O)N[C@H]1CCOC[C@@H]1O e05b0f3bdd2f813244ab1d7427c30281 [0,1,0,1,0,0|2,0,0]=4 10944 B13R1.470 CCCC(=O)N[C@H]1CCOC[C@H]1C ba5619ae8b8ff00088316cfb598be509 [0,1,0,1,0,0|1,0,0]=3 10945 B13R1.470 CCCC(=O)N[C@H]1CCOC[C@H]1O dfa283cf2b7cd75d2f5d99940e392535 [0,1,0,1,0,0|2,0,0]=4 10946 B13R1.470 CCCC(=O)N[C@H]1COCC[C@@H]1O 81bfc335a0e2e54bd24ea83cc70fa07a [0,1,0,1,0,0|2,0,0]=4 10947 B13R1.470 CCCC(=O)N[C@H]1COCC[C@H]1O 68901e80714e9db0473ab4a7610b1f8e [0,1,0,1,0,0|2,0,0]=4 10948 B13R1.470 CCCC(=S)OC1CCCCC1=O dd419a664d3b0ec9074d575e4879cb7f [0,1,0,1,0,0|0,1,1]=4 10949 B13R1.470 CCCC(=S)OC1CCCCC1F 8ecd9d0b00f9927e83066bcdc1544c13 [0,1,0,1,0,0|0,1,0]=3 10950 B13R1.470 CCCC(=S)O[C@H]1CCCC[C@H]1C 53b538cd138b9b6beb148d83c1d7c679 [0,1,0,1,0,0|0,1,0]=3 10951 B13R1.470 CCCC(C)OC1CCCCC1C dc1c03470b2693e54e77fa8a89110efd [0,1,0,1,0,0|1,0,1]=4 10952 B13R1.470 CCCC(C)OC1CCCCC1F fcd5f0c5c3469570ef77d9b0420b4766 [0,1,0,1,0,0|1,0,1]=4 10953 B13R1.470 CCCC(C)OC1CCOCC1C 6ad1ddb8b632594e258435f19505b298 [0,1,0,1,0,0|1,0,1]=4 10954 B13R1.470 CCCC(C)O[C@@H]1CCCC[C@@H]1C 454b3908d989ada990e56fb8665c8aa4 [0,1,0,1,0,0|1,0,1]=4 10955 B13R1.470 CCCC(C)O[C@@H]1CCCC[C@H]1F 9712835757ed26c1cd45ab8879136b47 [0,1,0,1,0,0|1,0,1]=4 10956 B13R1.470 CCCC(C)O[C@H]1CCCC[C@@H]1C dfc240f91c3fd8255c4f45d919921978 [0,1,0,1,0,0|1,0,1]=4 10957 B13R1.470 CCCC(C)O[C@H]1CCCC[C@H]1C 0bac559bf8a43dc13dfdda923f351e34 [0,1,0,1,0,0|1,0,1]=4 10958 B13R1.470 CCC[C@@H](C)OC1CCCCC1F 1418902b45981cf6e6837efa6b8302ad [0,1,0,1,0,0|1,0,1]=4 10959 B13R1.470 CCC[C@@H](C)O[C@H]1CCCC[C@H]1C 79f98e4d6582fbf617905b8134242ac5 [0,1,0,1,0,0|1,0,1]=4 10960 B13R1.470 CCC[C@H](C)OC1CCCCC1F 4f4f944a82a1ea3fa64b0365dd4de059 [0,1,0,1,0,0|1,0,1]=4 10961 B13R1.470 CCC[C@H](C)O[C@H]1CCCC[C@H]1C 86cbd507a7dc374002d02f524020209d [0,1,0,1,0,0|1,0,1]=4 10962 B13R1.470 CCNC(=O)CN1CCCCC1C e969d9646a5184d57a31f832aced2588 [0,1,0,1,0,0|2,0,0]=4 10963 B13R1.470 CCNC(=O)CN1CCCC[C@@H]1C 22d3320eb4de1ba7bf162a222dfc86d4 [0,1,0,1,0,0|2,0,0]=4 10964 B13R1.470 CCNC(=O)CN1CCCC[C@H]1C 9f31e957cac510e282f7353833987179 [0,1,0,1,0,0|2,0,0]=4 10965 B13R1.470 CCOC(=O)CN1CCCCC1C 535378c9a650a897fb5b24f9be86001d [0,1,0,1,0,0|2,0,0]=4 10966 B13R1.470 CCOC(=O)CN1CCCC[C@@H]1C 794146e07a985f98a6ecbb558c59bd06 [0,1,0,1,0,0|2,0,0]=4 10967 B13R1.470 CCOC(=O)CN1CCCC[C@H]1C f59669138b1c36292c0b545ca7447685 [0,1,0,1,0,0|2,0,0]=4 10968 B13R1.470 COCC(=O)NC1CCCCC1C 867eb86430ccbcb6b70f742f9fa9f2fc [0,1,0,1,0,0|2,0,0]=4 10969 B13R1.470 COCC(=O)NC1CCCCC1O 9718cddabd3b42f977016be7b2b5ba5e [0,1,0,1,0,0|2,0,0]=4 10970 B13R1.470 COCC(=O)NC1CCOCC1C 2ddfaf974898549e1c887e3218755c0e [0,1,0,1,0,0|2,0,0]=4 10971 B13R1.470 COCC(=O)N[C@@H]1CCCC[C@@H]1C 0b212432f9fac7873f94375f61e80f50 [0,1,0,1,0,0|2,0,0]=4 10972 B13R1.470 COCC(=O)N[C@@H]1CCCC[C@H]1C f35f71b2dbfeee215603a953b9ffb07c [0,1,0,1,0,0|2,0,0]=4 10973 B13R1.470 COCC(=O)N[C@@H]1CCCC[C@H]1O 7f08d3a3e03d491ff836908f6db9d01f [0,1,0,1,0,0|2,0,0]=4 10974 B13R1.470 COCC(=O)N[C@@H]1CCOC[C@@H]1C 1aa89086afcab5be4dd23242b1557c65 [0,1,0,1,0,0|2,0,0]=4 10975 B13R1.470 COCC(=O)N[C@H]1CCCC[C@@H]1C 6f75fd1c35ddd502065c761d2911104d [0,1,0,1,0,0|2,0,0]=4 10976 B13R1.470 COCC(=O)N[C@H]1CCCC[C@@H]1O 7a53fd7c8a6648052d8ed84b82f667de [0,1,0,1,0,0|2,0,0]=4 10977 B13R1.470 COCC(=O)N[C@H]1CCCC[C@H]1C 1e2d96580c0cf7b4f4b9de34de1c372b [0,1,0,1,0,0|2,0,0]=4 10978 B13R1.470 COCC(=O)N[C@H]1CCCC[C@H]1O 8be0169162dba68706052f711d9d06e0 [0,1,0,1,0,0|2,0,0]=4 10979 B13R1.470 COCC(=O)N[C@H]1CCOC[C@H]1C 35d5fc3f757c38798e50d15aa6f42c1e [0,1,0,1,0,0|2,0,0]=4 10980 B13R1.470 CSCC(=O)NC1CCCCC1C 75f33422192adfc08d76e470087f2476 [0,1,0,1,0,0|2,0,0]=4 10981 B13R1.470 CSCC(=O)NC1CCCCC1O 45a4670127374d9bfb6756f1076b1550 [0,1,0,1,0,0|2,0,0]=4 10982 B13R1.470 CSCC(=O)NC1CCOCC1C f6e5e1b230f4d8abd36b1d5b613528e6 [0,1,0,1,0,0|2,0,0]=4 10983 B13R1.470 CSCC(=O)N[C@@H]1CCCC[C@@H]1C e8dfb8dcbbba70a6f1d5084479284978 [0,1,0,1,0,0|2,0,0]=4 10984 B13R1.470 CSCC(=O)N[C@@H]1CCCC[C@H]1C 52049c6b4d8fad1ddd9d780c112cf023 [0,1,0,1,0,0|2,0,0]=4 10985 B13R1.470 CSCC(=O)N[C@@H]1CCCC[C@H]1O b2fdc13bd68529d7ef4b044679976e74 [0,1,0,1,0,0|2,0,0]=4 10986 B13R1.470 CSCC(=O)N[C@@H]1CCOC[C@@H]1C 10f4e775d1e36a848f50ce2d09403087 [0,1,0,1,0,0|2,0,0]=4 10987 B13R1.470 CSCC(=O)N[C@H]1CCCC[C@@H]1C b46d12dc356b38b229d92e61472ed0e1 [0,1,0,1,0,0|2,0,0]=4 10988 B13R1.470 CSCC(=O)N[C@H]1CCCC[C@@H]1O 5b2cb43bfb1a306adf6ab41977d21959 [0,1,0,1,0,0|2,0,0]=4 10989 B13R1.470 CSCC(=O)N[C@H]1CCCC[C@H]1C a6f26edc8637ff8c2302c935351ec3d3 [0,1,0,1,0,0|2,0,0]=4 10990 B13R1.470 CSCC(=O)N[C@H]1CCCC[C@H]1O 506ad0db613b72770c446962d14f85bb [0,1,0,1,0,0|2,0,0]=4 10991 B13R1.470 CSCC(=O)N[C@H]1CCOC[C@H]1C e2627114c71fd6f9c6a6d0d32967bc00 [0,1,0,1,0,0|2,0,0]=4 10992 B13R1.470 C[C@@H]1CCCC[C@@H]1NC(=O)CCF a003309840df926fdf4020426ca122bd [0,1,0,1,0,0|2,0,0]=4 10993 B13R1.470 C[C@@H]1CCCC[C@@H]1NC(=O)CCO 73ae97845e0d668bbd70b6ca52f057b5 [0,1,0,1,0,0|2,0,0]=4 10994 B13R1.470 C[C@@H]1CCCC[C@@H]1NC(=O)CCS 5958a4b44ee68faec61eb8e76edde0de [0,1,0,1,0,0|2,0,0]=4 10995 B13R1.470 C[C@@H]1CCCC[C@H]1NC(=O)CCF e0451627415fa1f3cf98579153667d80 [0,1,0,1,0,0|2,0,0]=4 10996 B13R1.470 C[C@@H]1CCCC[C@H]1NC(=O)CCO 6ee02beaa99603f0f86a39b1a3d194ba [0,1,0,1,0,0|2,0,0]=4 10997 B13R1.470 C[C@@H]1CCCC[C@H]1NC(=O)CCS 1e5629c74eec6638c03e99a9f342c2c9 [0,1,0,1,0,0|2,0,0]=4 10998 B13R1.470 C[C@@H]1COCC[C@@H]1NC(=O)CCF f65e8ea3163f10093850067a6719daa1 [0,1,0,1,0,0|2,0,0]=4 10999 B13R1.470 C[C@@H]1COCC[C@@H]1NC(=O)CCO ce1893cfb1b12e5869cb860abd226a45 [0,1,0,1,0,0|2,0,0]=4 11000 B13R1.470 C[C@@H]1COCC[C@@H]1NC(=O)CCS 33d0e3398493fe46336433dc23a1d460 [0,1,0,1,0,0|2,0,0]=4 11001 B13R1.470 C[C@H]1CCCC[C@@H]1NC(=O)CCF 3996316c4a94dd3c1de9e3a314096281 [0,1,0,1,0,0|2,0,0]=4 11002 B13R1.470 C[C@H]1CCCC[C@@H]1NC(=O)CCO c1ca7941d814b489cd2f9c7d81539235 [0,1,0,1,0,0|2,0,0]=4 11003 B13R1.470 C[C@H]1CCCC[C@@H]1NC(=O)CCS f7290f286339fdeeff6ffc0e36b743cf [0,1,0,1,0,0|2,0,0]=4 11004 B13R1.470 C[C@H]1CCCC[C@H]1NC(=O)CCF 45ebe3e0d6014fbad2b490da87d64aad [0,1,0,1,0,0|2,0,0]=4 11005 B13R1.470 C[C@H]1CCCC[C@H]1NC(=O)CCO 95dfe46562189bd70dcb2533dd637411 [0,1,0,1,0,0|2,0,0]=4 11006 B13R1.470 C[C@H]1CCCC[C@H]1NC(=O)CCS 56bdc8cd2953a7e819fab56ea5b44718 [0,1,0,1,0,0|2,0,0]=4 11007 B13R1.470 C[C@H]1COCC[C@H]1NC(=O)CCF 6028644642c53e3821555b7a1bedaf0d [0,1,0,1,0,0|2,0,0]=4 11008 B13R1.470 C[C@H]1COCC[C@H]1NC(=O)CCO 94e787d2735a8298e7fd2ee5b7d65ac1 [0,1,0,1,0,0|2,0,0]=4 11009 B13R1.470 C[C@H]1COCC[C@H]1NC(=O)CCS 26cdc5242656f17c37f7e7676b7be56c [0,1,0,1,0,0|2,0,0]=4 11010 B13R1.470 O=C(CCF)NC1CCCCC1O c8fe04d4f675e98cf2e3a109417cd70d [0,1,0,1,0,0|2,0,0]=4 11011 B13R1.470 O=C(CCF)N[C@@H]1CCCC[C@H]1O 6a83333e0822d66fdb39d9b5a8dae48e [0,1,0,1,0,0|2,0,0]=4 11012 B13R1.470 O=C(CCF)N[C@H]1CCCC[C@@H]1O cfa2ebec1981454ad03b4dc74300c38b [0,1,0,1,0,0|2,0,0]=4 11013 B13R1.470 O=C(CCF)N[C@H]1CCCC[C@H]1O 1fbb9440bfc89f004906e2cbcbbfb9bb [0,1,0,1,0,0|2,0,0]=4 11014 B13R1.470 O=C(CCO)NC1CCCCC1O b680bf4f2968649a5ee5af5a0df3a3d3 [0,1,0,1,0,0|2,0,0]=4 11015 B13R1.470 O=C(CCO)N[C@@H]1CCCC[C@H]1O 9d5b4bc762f647ffdcf58fde6626f9d2 [0,1,0,1,0,0|2,0,0]=4 11016 B13R1.470 O=C(CCO)N[C@H]1CCCC[C@@H]1O b8f10b2baef5f1232de39ffddae4d1ca [0,1,0,1,0,0|2,0,0]=4 11017 B13R1.470 O=C(CCO)N[C@H]1CCCC[C@H]1O 51746a2fd31672833c170b8ad4ecb874 [0,1,0,1,0,0|2,0,0]=4 11018 B13R1.470 O=C(CCS)NC1CCCCC1O 4048b0155e6cca761e80651f88b3f450 [0,1,0,1,0,0|2,0,0]=4 11019 B13R1.470 O=C(CCS)N[C@@H]1CCCC[C@H]1O 947c66bea052a42103380478dcb444b5 [0,1,0,1,0,0|2,0,0]=4 11020 B13R1.470 O=C(CCS)N[C@H]1CCCC[C@@H]1O 286197aad9bf3dd456095477b146ae46 [0,1,0,1,0,0|2,0,0]=4 11021 B13R1.470 O=C(CCS)N[C@H]1CCCC[C@H]1O bcac65d9fc6b385a66043f65682590d8 [0,1,0,1,0,0|2,0,0]=4 11022 B13R1.488 CCCOC1CCCC(=O)CCC1 4916ae53615f107c052da48fad682488 [0,1,0,1,0,0|1,0,0]=3 11023 B13R1.488 COCOC1CCCC(=O)CCC1 358647e70fb70454efbd1b58feee8aa2 [0,1,0,1,0,0|2,0,0]=4 11024 B13R1.488 CSCOC1CCCC(=O)CCC1 5f98063cf18c225536b652f16d5d0227 [0,1,0,1,0,0|2,0,0]=4 11025 B13R1.488 O=C1CCCC(CCC1)OCCF 3d41e828a9b90f7b363c4c31ab8da4ec [0,1,0,1,0,0|2,0,0]=4 11026 B13R1.488 O=C1CCCC(CCC1)OCCS 8231263ac856e6bbb46a087b89cdf227 [0,1,0,1,0,0|2,0,0]=4 11027 B13R1.654 C#CCCCCOC1CCCC1=O 3293a1c2deba744d363a1524af4d9a85 [0,1,0,1,0,0|0,0,2]=4 11028 B13R1.654 C/C=C/CCCOC1CCCC1=O 142ca9b35b3b0a8a6e6a1ed80e9537e3 [0,1,0,1,0,0|0,0,2]=4 11029 B13R1.654 C/C=C\CCCOC1CCCC1=O 29116f8ede01aade72f1ae3359c12247 [0,1,0,1,0,0|0,0,2]=4 11030 B13R1.654 C=CCCCCOC1CCCC1=O b8537f0235da9f6869305b072c925843 [0,1,0,1,0,0|0,0,2]=4 11031 B13R1.654 CC#CCCCOC1CCCC1=O a3b7058298f1c2bc1da348bf1472778d [0,1,0,1,0,0|0,0,2]=4 11032 B13R1.654 CC/C=C/CCOC1CCCC1=O 4239fad136752ccf63ac5801089be8f0 [0,1,0,1,0,0|0,0,2]=4 11033 B13R1.654 CC/C=C\CCOC1CCCC1=O e59ece57115cdfd8588305d191bfd9d8 [0,1,0,1,0,0|0,0,2]=4 11034 B13R1.654 CC=CCCCOC1CCCC1=O 1bc3b570560f45264e683f251cf5bae7 [0,1,0,1,0,0|0,0,2]=4 11035 B13R1.654 CCC/C=C/COC1CCCC1=O 10b59ac57edf347a6672c4b984996ba3 [0,1,0,1,0,0|0,0,2]=4 11036 B13R1.654 CCC/C=C\COC1CCCC1=O d478358a535dce45bb8c1c6dd235a7b8 [0,1,0,1,0,0|0,0,2]=4 11037 B13R1.654 CCCCCCNC1CCCC1=O 9aaa4842f54b623dbfcfa28f84cbdb5f [0,1,0,1,0,0|1,0,0]=3 11038 B13R1.654 CCCCCCNC1CCNC1=O 16856d3d3df2d9be3ddfc491c1bdee7a [0,1,0,1,0,0|2,0,0]=4 11039 B13R1.654 CCCCCCNC1CCSC1=O 21124f9e5f6235e2c2caf5ef90af9619 [0,1,0,1,0,0|2,0,0]=4 11040 B13R1.654 CCCCCCN[C@@H]1CCNC1=O b8bbe5a20407f3d9a35edd11f58d0c3e [0,1,0,1,0,0|2,0,0]=4 11041 B13R1.654 CCCCCCN[C@@H]1CCOC1=O 9a949eebaeaa55ab73d8dd7129aa98d4 [0,1,0,1,0,0|2,0,0]=4 11042 B13R1.654 CCCCCCN[C@H]1CCNC1=O 7df3bb6a3ac9f4a1ce86fcb5af56758f [0,1,0,1,0,0|2,0,0]=4 11043 B13R1.654 CCCCCCN[C@H]1CCOC1=O 601339c92ed17b576b2ee00fa96d9f99 [0,1,0,1,0,0|2,0,0]=4 11044 B13R1.654 CCCCCCOC1=CCCC1=O aa443f56592ff50e5e7ea5912440f240 [0,1,0,1,0,0|0,0,1]=3 11045 B13R1.654 CCCCCCOC1CCCC1=O a80a907d7b308c299bf8963f1fc533f6 [0,1,0,1,0,0|0,0,0]=2 11046 B13R1.654 CCCCCCOC1CCCC1C 907157e28eaf55dff853e1724052cb1b [0,1,0,1,0,0|1,0,1]=4 11047 B13R1.654 CCCCCCOC1CCNC1=O 0e334ced1b35f427edba3ba495bb8575 [0,1,0,1,0,0|1,0,0]=3 11048 B13R1.654 CCCCCCO[C@@H]1CCC[C@@H]1C 99b98bfcfe5946c572cfad8b20fee08b [0,1,0,1,0,0|1,0,1]=4 11049 B13R1.654 CCCCCCO[C@@H]1CCC[C@H]1C 46724e0b68efe8089e2b1095c1c95fe0 [0,1,0,1,0,0|1,0,1]=4 11050 B13R1.654 CCCCCCO[C@@H]1CCC[C@H]1F dd18a0aacd9a1bcc8901540240eff7da [0,1,0,1,0,0|1,0,1]=4 11051 B13R1.654 CCCCCCO[C@@H]1CCNC1=O 6341aabeee636475721c11c098a03416 [0,1,0,1,0,0|1,0,0]=3 11052 B13R1.654 CCCCCCO[C@H]1CCC[C@@H]1C 07b2e2e9a55912210209dea96824fa89 [0,1,0,1,0,0|1,0,1]=4 11053 B13R1.654 CCCCCCO[C@H]1CCC[C@H]1C 4c2c7c827b442d3f0cdf26ebcfcdb7a0 [0,1,0,1,0,0|1,0,1]=4 11054 B13R1.654 CCCCCCO[C@H]1CCNC1=O 9e893d48def4b2a5b4cbaaa5d1ec7c51 [0,1,0,1,0,0|1,0,0]=3 11055 B13R1.654 CCCCCNCC1CCNC1=O 757e47334be5e25ea16149b8fe155409 [0,1,0,1,0,0|2,0,0]=4 11056 B13R1.654 CCCCCNCN1CCCC1=O ce958428a47e330d7f7ea95696d0816d [0,1,0,1,0,0|1,0,0]=3 11057 B13R1.654 CCCCCOCC1=CCCC1=O da1afdc19638d0c5ef04847a1d054e0f [0,1,0,1,0,0|1,0,1]=4 11058 B13R1.654 CCCCCOCC1CCCC1=O 104901fda33a6643c41dd04ffbd9fb98 [0,1,0,1,0,0|1,0,0]=3 11059 B13R1.654 CCCCCOCC1CCNC1=O 0c538d4aaac264ab5d0ad53796975c02 [0,1,0,1,0,0|2,0,0]=4 11060 B13R1.654 CCCCCOCN1CCCC1=O a063628a62e843e83537e2a5d2c51174 [0,1,0,1,0,0|1,0,0]=3 11061 B13R1.654 CCCCNCCC1CCNC1=O 7e866dffb97fd80c3daf712d94a2879f [0,1,0,1,0,0|2,0,0]=4 11062 B13R1.654 CCCCNCCN1CCCC1=O 2f916736fbe3a26f1b8bcc1a542dff04 [0,1,0,1,0,0|1,0,0]=3 11063 B13R1.654 CCCCNCCN1CCNC1=O ecc88ece83d2aeaeb7d7c3e201c16501 [0,1,0,1,0,0|2,0,0]=4 11064 B13R1.654 CCCCOCCC1CCNC1=O 94ecb7254df4b907df7d798115cb9781 [0,1,0,1,0,0|2,0,0]=4 11065 B13R1.654 CCCCOCCN1CCCC1=O 87529874594d37e8a517768706195be7 [0,1,0,1,0,0|1,0,0]=3 11066 B13R1.654 CCCCOCCN1CCNC1=O 34aecec9ef432a20e5ba87540797474d [0,1,0,1,0,0|2,0,0]=4 11067 B13R1.654 CCCCOCOC1=CCCC1=O 457711df22d8a88d8446d4be16cb0b0e [0,1,0,1,0,0|1,0,1]=4 11068 B13R1.654 CCCCOCOC1CCNC1=O a947ae7902959653985583415be3aee2 [0,1,0,1,0,0|2,0,0]=4 11069 B13R1.654 CCCCOCO[C@@H]1CCNC1=O e922b44c90bedb9076161639d37e5eec [0,1,0,1,0,0|2,0,0]=4 11070 B13R1.654 CCCCOCO[C@H]1CCNC1=O b859d17f14b8ef85d8b861c84965ef9b [0,1,0,1,0,0|2,0,0]=4 11071 B13R1.654 CCCNCCCN1CCCC1=O e1c0c29a95ab9f9b5ec7297da26b3375 [0,1,0,1,0,0|1,0,0]=3 11072 B13R1.654 CCCOCCCN1CCCC1=O 3df14e28adc2d611343c155cf62188a3 [0,1,0,1,0,0|1,0,0]=3 11073 B13R1.654 CCCOCCNC1CCCC1=O cceee1e3aae6774181d6ef8335d2a5d0 [0,1,0,1,0,0|2,0,0]=4 11074 B13R1.654 CCCOCCOC1=CCCC1=O 89bc6b5feb45481fe630a4f1c4937726 [0,1,0,1,0,0|1,0,1]=4 11075 B13R1.654 CCCOCCOC1CCCC1=O f375f43a90eef1795d74d5f5bbe68fe0 [0,1,0,1,0,0|1,0,0]=3 11076 B13R1.654 CCCOCCOC1CCNC1=O a281678fcbf51a8fd8a6ab3907d6fbf4 [0,1,0,1,0,0|2,0,0]=4 11077 B13R1.654 CCCOCCOC1CCOC1=O edba185c63f3c5122d4aec95e0d0abc5 [0,1,0,1,0,0|2,0,0]=4 11078 B13R1.654 CCCOCCO[C@@H]1CCNC1=O 68901702b4177d993f3c589b3e20cb95 [0,1,0,1,0,0|2,0,0]=4 11079 B13R1.654 CCCOCCO[C@@H]1CCOC1=O cd7974eb85d362fc75b59d442bf3505b [0,1,0,1,0,0|2,0,0]=4 11080 B13R1.654 CCCOCCO[C@H]1CCNC1=O 6b7ee957ed93f6062b66ff810999906e [0,1,0,1,0,0|2,0,0]=4 11081 B13R1.654 CCCOCCO[C@H]1CCOC1=O 08ec1be27264af618a55caabd5a813a4 [0,1,0,1,0,0|2,0,0]=4 11082 B13R1.654 CCCSCCOC1CCCC1=O f625ec796c9ffe90f7175ac228942f36 [0,1,0,1,0,0|1,0,0]=3 11083 B13R1.654 CCCSCCOC1CCNC1=O e79f9a6ac4d2f093e70d2101742ce211 [0,1,0,1,0,0|2,0,0]=4 11084 B13R1.654 CCOCCCNC1CCCC1=O a075a7ed749cfcc9e05fcfe23b9c9d73 [0,1,0,1,0,0|2,0,0]=4 11085 B13R1.654 CCOCCCOC1=CCCC1=O a39dbe3dfaf4ccb5588793b8134ab0e4 [0,1,0,1,0,0|1,0,1]=4 11086 B13R1.654 CCOCCCOC1CCCC1=O ac23c3eaa7699b136b284a11ae0c019c [0,1,0,1,0,0|1,0,0]=3 11087 B13R1.654 CCOCCCOC1CCNC1=O 1ba72d3cf1ec346138887cce0202856e [0,1,0,1,0,0|2,0,0]=4 11088 B13R1.654 CCOCCCOC1CCOC1=O 7cdf36d80d66ecc9830f5e2081005724 [0,1,0,1,0,0|2,0,0]=4 11089 B13R1.654 CCOCCCO[C@@H]1CCNC1=O 7937a5464768db6457c9ea8f14d1be2e [0,1,0,1,0,0|2,0,0]=4 11090 B13R1.654 CCOCCCO[C@@H]1CCOC1=O 8ff038ba8bace2a1712fa282dbb7a6e9 [0,1,0,1,0,0|2,0,0]=4 11091 B13R1.654 CCOCCCO[C@H]1CCNC1=O 66d0617543a1302642952afb7b35d28f [0,1,0,1,0,0|2,0,0]=4 11092 B13R1.654 CCOCCCO[C@H]1CCOC1=O c91335dd86ee8477a9f91791188a48f1 [0,1,0,1,0,0|2,0,0]=4 11093 B13R1.654 CCOCCNCN1CCCC1=O a1ad88f8815f916be7a319d24d1db709 [0,1,0,1,0,0|2,0,0]=4 11094 B13R1.654 CCOCCOCC1CCCC1=O ca11f5d1e6036189f7fc4da6689f9019 [0,1,0,1,0,0|2,0,0]=4 11095 B13R1.654 CCOCCOCN1CCCC1=O 56487f38b1604ceee442b190bc0894f6 [0,1,0,1,0,0|2,0,0]=4 11096 B13R1.654 CCOCNCCN1CCCC1=O e3eded81583c63e9bd089b9e864ad50b [0,1,0,1,0,0|2,0,0]=4 11097 B13R1.654 CCOCOCCN1CCCC1=O 7ec8735d505512e2f04b7c1386ed6007 [0,1,0,1,0,0|2,0,0]=4 11098 B13R1.654 CCSCCCOC1=CCCC1=O e43fb53dc1c8235bcd41868500dbcee2 [0,1,0,1,0,0|1,0,1]=4 11099 B13R1.654 CCSCCCOC1CCCC1=O 915da654bd6eca37377a342c2d5bd41b [0,1,0,1,0,0|1,0,0]=3 11100 B13R1.654 CCSCCCOC1CCNC1=O 707f4e421a3fc8ff3d595ce2daf06839 [0,1,0,1,0,0|2,0,0]=4 11101 B13R1.654 CCSCCCO[C@@H]1CCNC1=O a395556035783d4c9480c86a78202223 [0,1,0,1,0,0|2,0,0]=4 11102 B13R1.654 CCSCCCO[C@H]1CCNC1=O 6caa846417307e55deab98801705a8c9 [0,1,0,1,0,0|2,0,0]=4 11103 B13R1.654 CCSCCNCN1CCCC1=O 6e557e776b335e3af4382c6bb4c4912b [0,1,0,1,0,0|2,0,0]=4 11104 B13R1.654 CCSCCOCC1CCCC1=O fe3e82b100a35cfe4a7952a2d2c6837a [0,1,0,1,0,0|2,0,0]=4 11105 B13R1.654 CCSCCOCN1CCCC1=O 021cf7669922cd91f0014ac96f8a7434 [0,1,0,1,0,0|2,0,0]=4 11106 B13R1.654 COCCCCOC1=CCCC1=O e0d41bc2c45ebf3858071151863ae4b4 [0,1,0,1,0,0|1,0,1]=4 11107 B13R1.654 COCCCCOC1CCCC1=O b232363afc1b497adedd746c29af68cd [0,1,0,1,0,0|1,0,0]=3 11108 B13R1.654 COCCCCOC1CCNC1=O 4880ec08d1fda77b6532bb6785716ba4 [0,1,0,1,0,0|2,0,0]=4 11109 B13R1.654 COCCCCOC1CCOC1=O 27b3ee17f04892e8d0115730554e88fd [0,1,0,1,0,0|2,0,0]=4 11110 B13R1.654 COCCCCO[C@@H]1CCNC1=O 530af83b720da629caf3e808943a8d01 [0,1,0,1,0,0|2,0,0]=4 11111 B13R1.654 COCCCCO[C@@H]1CCOC1=O b5ad4c8d9c8614a7aa854c4ac04a85de [0,1,0,1,0,0|2,0,0]=4 11112 B13R1.654 COCCCCO[C@H]1CCNC1=O 0a45d82676655709ae99e8a222663164 [0,1,0,1,0,0|2,0,0]=4 11113 B13R1.654 COCCCCO[C@H]1CCOC1=O 8330252663cff7d1f25a76d5035f7bab [0,1,0,1,0,0|2,0,0]=4 11114 B13R1.654 COCCCNCN1CCCC1=O 13126c80d660d1802d67a1dfd51aab66 [0,1,0,1,0,0|2,0,0]=4 11115 B13R1.654 COCCCOCC1CCCC1=O 6df9515e5acaeb94d8eb21ab8e53375d [0,1,0,1,0,0|2,0,0]=4 11116 B13R1.654 COCCCOCN1CCCC1=O c18f8817c763057a34adaa3603f98113 [0,1,0,1,0,0|2,0,0]=4 11117 B13R1.654 COCCNCCN1CCCC1=O 19df68695209748f077029ccaee11621 [0,1,0,1,0,0|2,0,0]=4 11118 B13R1.654 COCCOCCN1CCCC1=O d4c8f733ef352c68d296549b75363dca [0,1,0,1,0,0|2,0,0]=4 11119 B13R1.654 COCCOCOC1CCCC1=O 0ebcbbfd7398bf4b27f73f76739087e1 [0,1,0,1,0,0|2,0,0]=4 11120 B13R1.654 COCNCCCN1CCCC1=O a8a947d76f00124ff3f287bc94c3d6cb [0,1,0,1,0,0|2,0,0]=4 11121 B13R1.654 COCOCCCN1CCCC1=O 6241af1a1c0c3522fe0965c3f58b6ecc [0,1,0,1,0,0|2,0,0]=4 11122 B13R1.654 COCOCCOC1CCCC1=O f438b55e22ccb5128875329b4ee2051a [0,1,0,1,0,0|2,0,0]=4 11123 B13R1.654 CSCCCCNC1CCCC1=O ad4c8bf9b67c528ab6d8af337cde404f [0,1,0,1,0,0|2,0,0]=4 11124 B13R1.654 CSCCCCOC1CCCC1=O 901ebafc72bde61b086f6425bd60e144 [0,1,0,1,0,0|1,0,0]=3 11125 B13R1.654 CSCCCCOC1CCNC1=O 201bd5d9049d4247696eb3e50c68b33d [0,1,0,1,0,0|2,0,0]=4 11126 B13R1.654 CSCCCNCN1CCCC1=O 0aff77712099b0f8c2816338c24f2493 [0,1,0,1,0,0|2,0,0]=4 11127 B13R1.654 CSCCCOCC1CCCC1=O 8f0b004aa15ed47f6455603e792520d2 [0,1,0,1,0,0|2,0,0]=4 11128 B13R1.654 CSCCCOCN1CCCC1=O dde86ee37fcd65328631e1ad01460cb9 [0,1,0,1,0,0|2,0,0]=4 11129 B13R1.654 CSCCNCCN1CCCC1=O f14d0f17a95a1c8b5e0dfd7e77a091e6 [0,1,0,1,0,0|2,0,0]=4 11130 B13R1.654 CSCCOCCN1CCCC1=O d6a4efdf9372d71e983e65fef89da679 [0,1,0,1,0,0|2,0,0]=4 11131 B13R1.654 CSCNCCCN1CCCC1=O 55c267f48eb0811e0d5f7bb60bc96219 [0,1,0,1,0,0|2,0,0]=4 11132 B13R1.654 CSCOCCCN1CCCC1=O af49e2adb4daba4a1f391bba6790ff8e [0,1,0,1,0,0|2,0,0]=4 11133 B13R1.654 N#CCCCCOC1CCCC1=O d1fbae604244e2af20a80516bd1d9a3f [0,1,0,1,0,0|1,0,1]=4 11134 B13R1.654 O=C1CCC=C1OCCCCCF 81b550e2b28fa3b4015c4052db64259a [0,1,0,1,0,0|1,0,1]=4 11135 B13R1.654 O=C1CCCC1COCCCCF 72b07d679d44442044909edb80715b91 [0,1,0,1,0,0|2,0,0]=4 11136 B13R1.654 O=C1CCCC1NCCCCCCl 7a7314d449eab7a3d0d0afff9e76e59a [0,1,0,1,0,0|2,0,0]=4 11137 B13R1.654 O=C1CCCC1NCCCCCO 67ee2e07626d95c2c1fb9341633e8e61 [0,1,0,1,0,0|2,0,0]=4 11138 B13R1.654 O=C1CCCC1OCCCCCF 78408163d0cff7d9b5a3544411fde5d7 [0,1,0,1,0,0|1,0,0]=3 11139 B13R1.654 O=C1CCCC1OCCOCCF 6debcec4c507670ea232749f26070503 [0,1,0,1,0,0|2,0,0]=4 11140 B13R1.654 O=C1CCCC1OCCOCCS 0c501e030838128bb7e4cc086a608a1a [0,1,0,1,0,0|2,0,0]=4 11141 B13R1.654 O=C1CCCN1CCCNCCBr 2bb29d222e9062dcade7b3472ab3625c [0,1,0,1,0,0|2,0,0]=4 11142 B13R1.654 O=C1CCCN1CCCNCCF f93795e5bfc22bd5f8a9170d64fb997d [0,1,0,1,0,0|2,0,0]=4 11143 B13R1.654 O=C1CCCN1CCCNCCI 85fafe9557b14fdaab604ededa85d6f7 [0,1,0,1,0,0|2,0,0]=4 11144 B13R1.654 O=C1CCCN1CCCNCCO 29777d72c5c869c39ae31ae70362ebd6 [0,1,0,1,0,0|2,0,0]=4 11145 B13R1.654 O=C1CCCN1CCCNCCS d5395b78535ba91ddf22a3e41198b898 [0,1,0,1,0,0|2,0,0]=4 11146 B13R1.654 O=C1CCCN1CCCOCCF 49d18b1ae70554eb76c6c932bf92c844 [0,1,0,1,0,0|2,0,0]=4 11147 B13R1.654 O=C1CCCN1CCCOCCS 0cf144e2178077090af713afec7e8841 [0,1,0,1,0,0|2,0,0]=4 11148 B13R1.654 O=C1CCCN1CCNCCCCl f4bfcc0781621909fa47ef82de72ef84 [0,1,0,1,0,0|2,0,0]=4 11149 B13R1.654 O=C1CCCN1CCNCCCF cb165e5c337ed7943f55d4eceee6b050 [0,1,0,1,0,0|2,0,0]=4 11150 B13R1.654 O=C1CCCN1CCNCCCO dc5120156c73c85214823a5fd7c5ef7f [0,1,0,1,0,0|2,0,0]=4 11151 B13R1.654 O=C1CCCN1CCNCCCS 01505221707560a3e278df68bd3e4ac1 [0,1,0,1,0,0|2,0,0]=4 11152 B13R1.654 O=C1CCCN1CCOCCCF 41b3d6df3d214b52aa7dd6a41b73eb32 [0,1,0,1,0,0|2,0,0]=4 11153 B13R1.654 O=C1CCCN1CCOCCCS cfae43a0f68f52b21c047c15ae3f0a3a [0,1,0,1,0,0|2,0,0]=4 11154 B13R1.654 O=C1CCCN1CNCCCCCl 2045a0d5ab9cee9d89e1ccb36490804a [0,1,0,1,0,0|2,0,0]=4 11155 B13R1.654 O=C1CCCN1CNCCCCO b66ac3f7b10c6353636933240339e1ec [0,1,0,1,0,0|2,0,0]=4 11156 B13R1.654 O=C1CCCN1CNCCCCS 5be85a311939271684572651161b4abe [0,1,0,1,0,0|2,0,0]=4 11157 B13R1.654 O=C1CCCN1COCCCCF f710adbaf5e60d4830a9eeb47db3178d [0,1,0,1,0,0|2,0,0]=4 11158 B13R1.654 O=C1CCCN1COCCCCS cbb6ed510d48b17fdd072ca5c907fbea [0,1,0,1,0,0|2,0,0]=4 11159 B13R1.654 O=C1NCCC1OCCCCCF 7adf4aa73fab9b053c60f4fd87570789 [0,1,0,1,0,0|2,0,0]=4 11160 B13R1.654 O=C1NCC[C@@H]1OCCCCCF 835b19dce4ce98de3599acef02a0d948 [0,1,0,1,0,0|2,0,0]=4 11161 B13R1.654 O=C1NCC[C@H]1OCCCCCF 2cad13376adc7893b0b0b5afa3c412d1 [0,1,0,1,0,0|2,0,0]=4 11162 B13R1.654 O=C1OCCC1OCCCCCF da83abe0c05a3870214978cd2ad6ce45 [0,1,0,1,0,0|2,0,0]=4 11163 B13R1.654 O=C1OCC[C@@H]1OCCCCCF 00624fe2f9cbac7e8394c4e2079d5eaa [0,1,0,1,0,0|2,0,0]=4 11164 B13R1.654 O=C1OCC[C@H]1OCCCCCF a97a6812456ac99979cae84b632cb791 [0,1,0,1,0,0|2,0,0]=4 11165 B13R1.654 O=CCCCCOC1CCCC1=O da0dca817aa786a09ca25388764c5b69 [0,1,0,1,0,0|1,0,1]=4 11166 B13R1.688 C#C[C@H]1C[C@H]1COCC(=O)CCC c17d0103476faabc4123d53b90849494 [0,1,0,1,0,0|0,0,2]=4 11167 B13R1.688 CCCC(=O)CNCC1CC1CO ee307872e80331ee214c57658164f628 [0,1,0,1,0,0|2,0,0]=4 11168 B13R1.688 CCCC(=O)COCC1CC1C#N 1f1293526eee690d39925b8ecca706f7 [0,1,0,1,0,0|1,0,1]=4 11169 B13R1.688 CCCC(=O)OCN[C@@H]1C[C@@H]1OC e14c13ffb939f351d67797ceb84532ca [0,1,0,1,0,0|1,0,0]=3 11170 B13R1.688 CCCC(=O)OCN[C@@H]1C[C@H]1CO 03b5fc8880b569a0cbd5a5276b5ee1cf [0,1,0,1,0,0|1,0,0]=3 11171 B13R1.688 CCCC(=O)OCN[C@H]1C[C@@H]1CO 5111fbda27d68fa64b518765c552e1c4 [0,1,0,1,0,0|1,0,0]=3 11172 B13R1.688 CCCC(=O)OCN[C@H]1C[C@H]1CO 5c65417fb8d4401367a24e1f5d1dbb69 [0,1,0,1,0,0|1,0,0]=3 11173 B13R1.688 CCOC(=O)OCN[C@@H]1C[C@@H]1OC 640fd666fe80846d4614e79fb743908b [0,1,0,1,0,0|2,0,0]=4 11174 B13R1.688 CCOC(=O)OCN[C@@H]1C[C@H]1CO 39997ed1dac06a78628e6f01a9a6d16b [0,1,0,1,0,0|2,0,0]=4 11175 B13R1.688 CCOC(=O)OCN[C@H]1C[C@@H]1CO 41f2d3b9d66369f2227cdcfdf3b6a665 [0,1,0,1,0,0|2,0,0]=4 11176 B13R1.688 CCOC(=O)OCN[C@H]1C[C@H]1CO 4bf23b9d73e99e2551674ac656e6b3cb [0,1,0,1,0,0|2,0,0]=4 11177 B13R1.688 CCSC(=O)OCN[C@@H]1C[C@@H]1OC eb9a200c5b25519382e78b7c9dd8344f [0,1,0,1,0,0|2,0,0]=4 11178 B13R1.688 CCSC(=O)OCN[C@@H]1C[C@H]1CO b8b3ba86c997ee92bcd4edbdf460feeb [0,1,0,1,0,0|2,0,0]=4 11179 B13R1.688 CCSC(=O)OCN[C@H]1C[C@@H]1CO 314a97bba18782977d058fd6e06fab8a [0,1,0,1,0,0|2,0,0]=4 11180 B13R1.688 CCSC(=O)OCN[C@H]1C[C@H]1CO 6788c43baad26d6bedb1c0f8e98e586e [0,1,0,1,0,0|2,0,0]=4 11181 B13R1.1149 CCCCCN1CCCC(=O)CC1 12a6823eb8fdba3e21f92ad63532f9c3 [0,1,0,1,0,0|1,0,0]=3 11182 B13R1.1149 CCCCCN1CCNC(=O)CC1 748f8f2fb8c0dcb982e49c7babc9ef45 [0,1,0,1,0,0|2,0,0]=4 11183 B13R1.1149 CCCCOC1CCCC(=O)NC1 f7a47c629dd01d16abbc3c3ecb95cfae [0,1,0,1,0,0|1,0,0]=3 11184 B13R1.1149 CCCOCC1CCNC(=O)CC1 3229a1666b62d30b8561149c35abf9fb [0,1,0,1,0,0|2,0,0]=4 11185 B13R1.1149 CCCOCC1CCNC(=O)CO1 a7bdc3f9a63b9b92d001653018f9563d [0,1,0,1,0,0|2,0,0]=4 11186 B13R1.1149 CCOCCN1CCCC(=O)CC1 71519a823c85ac396021de4bb7b60cb5 [0,1,0,1,0,0|2,0,0]=4 11187 B13R1.1149 CCOCOC1CCCC(=O)NC1 c8d3903f4bad2de44047b0090ee249be [0,1,0,1,0,0|2,0,0]=4 11188 B13R1.1149 COCCCN1CCCC(=O)CC1 ed47b90b1494b44885ca8aab9219c696 [0,1,0,1,0,0|2,0,0]=4 11189 B13R1.1149 COCCOC1CCCC(=O)NC1 358d362c51f860f5bbb034ee3f779426 [0,1,0,1,0,0|2,0,0]=4 11190 B13R1.1149 CSCCCN1CCCC(=O)CC1 de884533511b8faa2819e792ab9dd675 [0,1,0,1,0,0|2,0,0]=4 11191 B13R1.1149 CSCCOC1CCCC(=O)NC1 b301dbe9072265951ea28afd4265995c [0,1,0,1,0,0|2,0,0]=4 11192 B13R1.1149 O=C1CCCC(CN1)OCCCF 1132d425e6b51f50225c69a01e395e98 [0,1,0,1,0,0|2,0,0]=4 11193 B13R1.1149 O=C1CCCC(CN1)OCCCS d2d227fc7b35c7e1416ebb14d3494c54 [0,1,0,1,0,0|2,0,0]=4 11194 B13R1.1149 O=C1CCCN(CC1)CCCCF b81bd971262092ba66ad0b192b728848 [0,1,0,1,0,0|2,0,0]=4 11195 B13R1.1149 O=C1CCCN(CC1)CCCCO 9f3683561188cd03a706d0351c02b9d0 [0,1,0,1,0,0|2,0,0]=4 11196 B13R1.1464 CCCC(=O)N1CCCCCCC1 fe7989dec2485133f1674d6ddc2545c7 [0,1,0,1,0,0|1,0,0]=3 11197 B13R1.1464 COCC(=O)N1CCCCCCC1 04c788917c5fcbee8d90b6e1678a9fb7 [0,1,0,1,0,0|2,0,0]=4 11198 B13R1.1464 CSCC(=O)N1CCCCCCC1 3c5d91a7a25c66429d2d54e4f8274a92 [0,1,0,1,0,0|2,0,0]=4 11199 B13R1.1464 O=C(CCF)N1CCCCCCC1 db1b1d707d22a8a2d1cb8ab11850dcf2 [0,1,0,1,0,0|2,0,0]=4 11200 B13R1.1464 O=C(CCO)N1CCCCCCC1 b896065a67e83a6c1f26714669c0eece [0,1,0,1,0,0|2,0,0]=4 11201 B13R1.1464 O=C(CCS)N1CCCCCCC1 114e04e5d0ad93a97d27281acfb290c3 [0,1,0,1,0,0|2,0,0]=4 11202 B13R1.1575 CCCC(=O)CN1CCCCCC1 e4a419eb8832044e2c302134e73a7ec5 [0,1,0,1,0,0|1,0,0]=3 11203 B13R1.1575 CCCC(=O)CN1CCCOCC1 93be4a6d0e97592573d42a5fb9a27969 [0,1,0,1,0,0|2,0,0]=4 11204 B13R1.1575 CCCC(=O)NC1CCC=CCC1 039aa238ae1319cf563c4352fd25c29e [0,1,0,1,0,0|1,0,1]=4 11205 B13R1.1575 CCCC(=O)NC1CCCCCC1 59b41ffbcc81977f72aef1a283e24fa7 [0,1,0,1,0,0|1,0,0]=3 11206 B13R1.1575 CCCC(=O)NC1CCCOCC1 d1a1775927043ebc5dfc6b4f12a7f61a [0,1,0,1,0,0|1,0,0]=3 11207 B13R1.1575 CCCC(=S)OC1CCCCCC1 444c0c5ab66e41f8427869b7cc4ee9e6 [0,1,0,1,0,0|0,1,0]=3 11208 B13R1.1575 CCCC(=S)OC1CCCOCC1 cae6ccadac112addcd7c0c84c55a5653 [0,1,0,1,0,0|0,1,0]=3 11209 B13R1.1575 CCCC(C)OC1CCCCCC1 8880b69466f16a38391217a5d0c283cc [0,1,0,1,0,0|1,0,1]=4 11210 B13R1.1575 CCCC(C)OC1CCCOCC1 3d2740a3b9b4acdf2e5ca0fcbcc8b9ba [0,1,0,1,0,0|1,0,1]=4 11211 B13R1.1575 CCC[C@@H](C)OC1CCCCCC1 30b00d79e138e20d9d4d51561b604f24 [0,1,0,1,0,0|1,0,1]=4 11212 B13R1.1575 CCC[C@@H](C)OC1CCCOCC1 a600be59bb363de66db070b79bc3103c [0,1,0,1,0,0|1,0,1]=4 11213 B13R1.1575 CCC[C@H](C)OC1CCCCCC1 feeb7cd3b873e55972d395480606fe31 [0,1,0,1,0,0|1,0,1]=4 11214 B13R1.1575 CCC[C@H](C)OC1CCCOCC1 e715f338fff9a27bc24b320129d7c46e [0,1,0,1,0,0|1,0,1]=4 11215 B13R1.1575 CCNC(=O)CN1CCCCCC1 58ce88ab541fa02d3d80cd3e85510d6f [0,1,0,1,0,0|2,0,0]=4 11216 B13R1.1575 CCOC(=O)CN1CCCCCC1 b66a5de06402119d233a4472db419f7c [0,1,0,1,0,0|2,0,0]=4 11217 B13R1.1575 COCC(=O)NC1CCCCCC1 71ad0e73b8a4ce53c03e5b2220822219 [0,1,0,1,0,0|2,0,0]=4 11218 B13R1.1575 COCC(=O)NC1CCCOCC1 8008b7bb17da8199d77abdb0101f2e1c [0,1,0,1,0,0|2,0,0]=4 11219 B13R1.1575 CSCC(=O)NC1CCCCCC1 3e5c21c2a131528a9300416e71c6a6f6 [0,1,0,1,0,0|2,0,0]=4 11220 B13R1.1575 CSCC(=O)NC1CCCOCC1 154355979957be8aba01ae4d48a71774 [0,1,0,1,0,0|2,0,0]=4 11221 B13R1.1575 O=C(CCF)NC1CCCCCC1 370726543b245045fc6778c53cb61cbb [0,1,0,1,0,0|2,0,0]=4 11222 B13R1.1575 O=C(CCF)NC1CCCOCC1 d895eb7a64bc21c7071040acb0a18727 [0,1,0,1,0,0|2,0,0]=4 11223 B13R1.1575 O=C(CCO)NC1CCCCCC1 69e35ab6eb75f9593de3551f71b33c54 [0,1,0,1,0,0|2,0,0]=4 11224 B13R1.1575 O=C(CCS)NC1CCCCCC1 18e4d684ab7fa92d9e403064e61ca65d [0,1,0,1,0,0|2,0,0]=4 11225 B13R1.1575 O=C(CCS)NC1CCCOCC1 65ee9e8fb3a84b71f63cb88bf2a01c80 [0,1,0,1,0,0|2,0,0]=4 11226 B13R1.1650 CC1CC(=O)NCCN1CCCF ecf0d8c176b48a8758887782092aeca4 [0,1,0,1,0,0|2,0,0]=4 11227 B13R1.1650 CC1CC(=O)NCCN1CCCO 9f3d974ea3924b5eabe6b232c0357952 [0,1,0,1,0,0|2,0,0]=4 11228 B13R1.1650 CC1CC(=O)NCCN1CCCS c56312e81c766958ff3938da14bd1550 [0,1,0,1,0,0|2,0,0]=4 11229 B13R1.1650 CCCCN1CCNC(=O)CC1C b7a5e331c0b0a8246fe31a5fea290e8d [0,1,0,1,0,0|1,0,0]=3 11230 B13R1.1650 CCOCN1CCNC(=O)CC1C e3a4e8ae84ca36020b3bb30eda8d86eb [0,1,0,1,0,0|2,0,0]=4 11231 B13R1.1650 COCCN1CCNC(=O)CC1C c09a459aca3772b28b79f94664e1b505 [0,1,0,1,0,0|2,0,0]=4 11232 B13R1.1650 CSCCN1CCNC(=O)CC1C 296cf6ec1c26c931419e2ea18363deb5 [0,1,0,1,0,0|2,0,0]=4 11233 B13R1.2851 CCCCN[C@@H]1C[C@@H]1C(=O)OCC 161a1ea82762d400e5de634c4b075071 [0,1,0,1,0,0|2,0,0]=4 11234 B13R1.2851 CCCCN[C@H]1C[C@H]1C(=O)OCC 6444c109a551673a5090a0c41979e964 [0,1,0,1,0,0|2,0,0]=4 11235 B13R1.2851 CCCCO[C@@H]1C[C@@H]1C(=O)OCC e9766cdb40b18e02ce62eb2136d29f04 [0,1,0,1,0,0|2,0,0]=4 11236 B13R1.2851 CCCCO[C@H]1C[C@H]1C(=O)OCC ae36f8be133349cac2a68581d32341b7 [0,1,0,1,0,0|2,0,0]=4 11237 B13R1.2851 CCCNCC1CC1C(=O)OCC 0663e819a6851e0882793d2e5b7b2886 [0,1,0,1,0,0|2,0,0]=4 11238 B13R1.2851 CCCNC[C@@H]1C[C@@H]1C(=O)OCC 8da1e64c76db418b6bd7681c1f16622b [0,1,0,1,0,0|2,0,0]=4 11239 B13R1.2851 CCCNC[C@H]1C[C@H]1C(=O)OCC d38bcb040bb4bade941bfa65be84d03c [0,1,0,1,0,0|2,0,0]=4 11240 B13R1.2851 CCCOCC1CC1C(=O)OCC 912b29318da6a8052d0b9714e96fe3d4 [0,1,0,1,0,0|2,0,0]=4 11241 B13R1.2851 CCCOC[C@@H]1C[C@@H]1C(=O)OCC a9698165055c63bc1fe0a1428c9dadb3 [0,1,0,1,0,0|2,0,0]=4 11242 B13R1.2851 CCCOC[C@@H]1C[C@H]1C(=O)OCC 7dee1ec83f9f47e444f65e7ae10586a3 [0,1,0,1,0,0|2,0,0]=4 11243 B13R1.2851 CCCOC[C@H]1C[C@@H]1C(=O)OCC 4b4acaf46a0e3a1f69a47d4d41765915 [0,1,0,1,0,0|2,0,0]=4 11244 B13R1.2851 CCCOC[C@H]1C[C@H]1C(=O)OCC 82d1f3f286f9d0b90d944df1b63b4c43 [0,1,0,1,0,0|2,0,0]=4 11245 B13R1.3151 C#CCCCCOCC(=O)C1CC1 c0e2c2336c0a2e41cb4aa7683a522e84 [0,1,0,1,0,0|0,0,2]=4 11246 B13R1.3151 C#CCCCNCOC(=O)C1CC1 01186a6be6f635e4adfed7769ddde1ec [0,1,0,1,0,0|0,0,2]=4 11247 B13R1.3151 C#CCCCOCOC(=O)C1CC1 90710399248649f195f3e6110ece96e4 [0,1,0,1,0,0|0,0,2]=4 11248 B13R1.3151 C/C=C/CCCOCC(=O)C1CC1 6acc1f8f8b39e8fd018cf1e255ceb533 [0,1,0,1,0,0|0,0,2]=4 11249 B13R1.3151 C/C=C/CCOCOC(=O)C1CC1 7d82e5f88d4d044a3760e815105c79b6 [0,1,0,1,0,0|0,0,2]=4 11250 B13R1.3151 C/C=C\CCCOCC(=O)C1CC1 8ac71e4731edb762014a80ac26f43951 [0,1,0,1,0,0|0,0,2]=4 11251 B13R1.3151 C=CCCCCOCC(=O)C1CC1 28c7c909b983b436e94bbfd0482d61c2 [0,1,0,1,0,0|0,0,2]=4 11252 B13R1.3151 C=CCCCNCOC(=O)C1CC1 c7bce85cc60a18ea248786a0e2504972 [0,1,0,1,0,0|0,0,2]=4 11253 B13R1.3151 C=CCCCOCOC(=O)C1CC1 d04ac86192323475bb4fd013c8700aac [0,1,0,1,0,0|0,0,2]=4 11254 B13R1.3151 CC#CCCCOCC(=O)C1CC1 1c26f646f4d674bce80d4271bca65a30 [0,1,0,1,0,0|0,0,2]=4 11255 B13R1.3151 CC#CCCOCOC(=O)C1CC1 e4ac8ac011400b49a2dd7eac796cc67a [0,1,0,1,0,0|0,0,2]=4 11256 B13R1.3151 CC(OCCCCCCF)C1CC1 facd85db938aa44c42dfb6a2472796e9 [0,1,0,1,0,0|1,0,1]=4 11257 B13R1.3151 CC(OCCCCCCS)C1CC1 c0a5a577ca3c31647eccaeec44da3042 [0,1,0,1,0,0|1,0,1]=4 11258 B13R1.3151 CC/C=C/CCOCC(=O)C1CC1 4396fc30555f812c9bfbd18d0d1e615b [0,1,0,1,0,0|0,0,2]=4 11259 B13R1.3151 CC/C=C/COCOC(=O)C1CC1 a863a9f3cd52a256a216d877b1a5bb15 [0,1,0,1,0,0|0,0,2]=4 11260 B13R1.3151 CC/C=C\CCOCC(=O)C1CC1 dfedf6dd765bd6d36eeab08a78564e3c [0,1,0,1,0,0|0,0,2]=4 11261 B13R1.3151 CC/C=C\COCOC(=O)C1CC1 b8caa70784db60ab2effe5ce25308e12 [0,1,0,1,0,0|0,0,2]=4 11262 B13R1.3151 CC=CCCCOCC(=O)C1CC1 f648a1c8b6753885f7c8edd18af66756 [0,1,0,1,0,0|0,0,2]=4 11263 B13R1.3151 CCC#CCCOCC(=O)C1CC1 45ff8feeaa004e1dbc9a49ad460044b8 [0,1,0,1,0,0|0,0,2]=4 11264 B13R1.3151 CCC#CCOCOC(=O)C1CC1 c019f6c5d674a7d8b991e7b7552f354c [0,1,0,1,0,0|0,0,2]=4 11265 B13R1.3151 CCC/C=C/COCC(=O)C1CC1 b96786c29118409d216cf4ebe798c61f [0,1,0,1,0,0|0,0,2]=4 11266 B13R1.3151 CCC/C=C\COCC(=O)C1CC1 f4f891124098b6fdf8f4809a274f44ff [0,1,0,1,0,0|0,0,2]=4 11267 B13R1.3151 CCCC#CCOCC(=O)C1CC1 58f8a19035d933cb25f1e1d8eb591409 [0,1,0,1,0,0|0,0,2]=4 11268 B13R1.3151 CCCCCCCOC(C)C1CC1 dd1213e1ed52f1e2df2fd1094ec80f3f [0,1,0,1,0,0|1,0,1]=4 11269 B13R1.3151 CCCCCCCO[C@@H](C)C1CC1 62c8878762e3c84aa895c22659863cbd [0,1,0,1,0,0|1,0,1]=4 11270 B13R1.3151 CCCCCCCO[C@H](C)C1CC1 51244f35230651b88be1ff4fa00e1c8e [0,1,0,1,0,0|1,0,1]=4 11271 B13R1.3151 CCCCCCNCC(=O)C1CC1 7134f75746ea81a965f6557b71bf82d1 [0,1,0,1,0,0|1,0,0]=3 11272 B13R1.3151 CCCCCCOCC(=O)C1CC1 1cb9585a9b5e04547adc75799e511466 [0,1,0,1,0,0|0,0,0]=2 11273 B13R1.3151 CCCCCCOCC(C)C1CC1 2514ad49fdfba869c7ba08f766068a45 [0,1,0,1,0,0|1,0,1]=4 11274 B13R1.3151 CCCCCNCOC(=O)C1CC1 9620d018774a8f34b7506fd8d31ecdb5 [0,1,0,1,0,0|0,0,0]=2 11275 B13R1.3151 CCCCCOCOC(=O)C1CC1 1e5452c48815f9339963eda4ae37d827 [0,1,0,1,0,0|0,0,0]=2 11276 B13R1.3151 CCCCOCCOC(C)C1CC1 41989c3632b98a711d8ee5f54db9d19e [0,1,0,1,0,0|1,0,1]=4 11277 B13R1.3151 CCCCOCCO[C@@H](C)C1CC1 4c78e7d66797d653d32f4f63634ff7ff [0,1,0,1,0,0|1,0,1]=4 11278 B13R1.3151 CCCCOCCO[C@H](C)C1CC1 a092054aa9adbfdcac5d0f59b894c84c [0,1,0,1,0,0|1,0,1]=4 11279 B13R1.3151 CCCCOCOCC(=O)C1CC1 384c82804f8261be53f23f4c787e7684 [0,1,0,1,0,0|1,0,0]=3 11280 B13R1.3151 CCCCSCCOC(C)C1CC1 12462ba27fcfcecf118d9fe79de8e3a3 [0,1,0,1,0,0|1,0,1]=4 11281 B13R1.3151 CCCOCCCOC(C)C1CC1 2c706dbfebe5c7f2b3b82d6759e427c3 [0,1,0,1,0,0|1,0,1]=4 11282 B13R1.3151 CCCOCCCO[C@@H](C)C1CC1 0d12544da05a65ad009c71c92817f27f [0,1,0,1,0,0|1,0,1]=4 11283 B13R1.3151 CCCOCCCO[C@H](C)C1CC1 11e5ce813c4ede9559238150b98302ef [0,1,0,1,0,0|1,0,1]=4 11284 B13R1.3151 CCCOCCNCC(=O)C1CC1 489b515b862dee691c50867dde45e4c5 [0,1,0,1,0,0|2,0,0]=4 11285 B13R1.3151 CCCOCCOCC(=O)C1CC1 120316ce296a1255140c506880db8799 [0,1,0,1,0,0|1,0,0]=3 11286 B13R1.3151 CCCSCCOCC(=O)C1CC1 9401d2ae9354d0c911d115127b799468 [0,1,0,1,0,0|1,0,0]=3 11287 B13R1.3151 CCOCCCNCC(=O)C1CC1 d5c10debfe8a2cbcefdbc21f95c07104 [0,1,0,1,0,0|2,0,0]=4 11288 B13R1.3151 CCOCCCOCC(=O)C1CC1 b634af61dee6b84e42262cb4c3f8d0c3 [0,1,0,1,0,0|1,0,0]=3 11289 B13R1.3151 CCOCCNCOC(=O)C1CC1 b3776ef42ea8a2668600f241007514de [0,1,0,1,0,0|1,0,0]=3 11290 B13R1.3151 CCOCCOCOC(=O)C1CC1 bd4333bc36c730c8bcc2e09fee3f4fba [0,1,0,1,0,0|1,0,0]=3 11291 B13R1.3151 CCSCCCOCC(=O)C1CC1 1fbaa0a9f350ee40a4658798e13b63b1 [0,1,0,1,0,0|1,0,0]=3 11292 B13R1.3151 CCSCCNCOC(=O)C1CC1 7fb11231f1ce98246ca9eb463437359d [0,1,0,1,0,0|1,0,0]=3 11293 B13R1.3151 CCSCCOCOC(=O)C1CC1 a12fde873304bcb31d9e116cc594a1f5 [0,1,0,1,0,0|1,0,0]=3 11294 B13R1.3151 COCCCCCOC(C)C1CC1 0bb2e0b9eb214b54067347bb90a8172f [0,1,0,1,0,0|1,0,1]=4 11295 B13R1.3151 COCCCCCO[C@@H](C)C1CC1 6b91fe02e5d579c41a902f39d3f58095 [0,1,0,1,0,0|1,0,1]=4 11296 B13R1.3151 COCCCCCO[C@H](C)C1CC1 8e9afc06cd5aa05dbcf95f2855a084fc [0,1,0,1,0,0|1,0,1]=4 11297 B13R1.3151 COCCCCNCC(=O)C1CC1 cd098675ef41f7269f3916aa6dde04dc [0,1,0,1,0,0|2,0,0]=4 11298 B13R1.3151 COCCCCOCC(=O)C1CC1 341c565877f1f952542ee12a50ddb0c4 [0,1,0,1,0,0|1,0,0]=3 11299 B13R1.3151 COCCCNCOC(=O)C1CC1 f079b28515444b16d6a062c5a7c52a70 [0,1,0,1,0,0|1,0,0]=3 11300 B13R1.3151 COCCCOCOC(=O)C1CC1 cf437e09113466909989a41d4555306c [0,1,0,1,0,0|1,0,0]=3 11301 B13R1.3151 COCCOCOCC(=O)C1CC1 ebed7731c3f2be73f3e2bc3a0129a212 [0,1,0,1,0,0|2,0,0]=4 11302 B13R1.3151 COCOCCOCC(=O)C1CC1 5632032abc02b8469cadb830ef420b68 [0,1,0,1,0,0|2,0,0]=4 11303 B13R1.3151 CSCCCCNCC(=O)C1CC1 f015ba7dcf4a4f7806a6b2421c723660 [0,1,0,1,0,0|2,0,0]=4 11304 B13R1.3151 CSCCCCOCC(=O)C1CC1 6883c8b6dbf8c186f6615359142d03e9 [0,1,0,1,0,0|1,0,0]=3 11305 B13R1.3151 CSCCCNCOC(=O)C1CC1 1316a78fa0705c0e211cf751bc1b12e2 [0,1,0,1,0,0|1,0,0]=3 11306 B13R1.3151 CSCCCOCOC(=O)C1CC1 ea80532dcb7c867d09e0d5ffbc8ef80e [0,1,0,1,0,0|1,0,0]=3 11307 B13R1.3151 C[C@@H](OCCCCCCF)C1CC1 867f89bdcb3fceaa627c3ff0732cbf3e [0,1,0,1,0,0|1,0,1]=4 11308 B13R1.3151 C[C@H](OCCCCCCF)C1CC1 2231bee32d586b97e418062765b4a20b [0,1,0,1,0,0|1,0,1]=4 11309 B13R1.3151 N#CCCCCOCC(=O)C1CC1 dcec2139d88adb30a40efea0ed6861bd [0,1,0,1,0,0|1,0,1]=4 11310 B13R1.3151 N#CCCCNCOC(=O)C1CC1 5a4ce4c1c86803941ed8dbe51755cf22 [0,1,0,1,0,0|1,0,1]=4 11311 B13R1.3151 N#CCCCOCOC(=O)C1CC1 19e03dbe6646c51ffff2a1446ec6f784 [0,1,0,1,0,0|1,0,1]=4 11312 B13R1.3151 O=C(CNCCCCCCl)C1CC1 abf2a981d0d7ad8bc0e700ec79919ef5 [0,1,0,1,0,0|2,0,0]=4 11313 B13R1.3151 O=C(CNCCCCCO)C1CC1 b6899a291751aa23c4e8a31f4a94e9e0 [0,1,0,1,0,0|2,0,0]=4 11314 B13R1.3151 O=C(COCCCCCF)C1CC1 06dbcd658939a9a10ce694b536d9d332 [0,1,0,1,0,0|1,0,0]=3 11315 B13R1.3151 O=C(COCCOCCF)C1CC1 88c81c3b4a45c325e5aced7c10351423 [0,1,0,1,0,0|2,0,0]=4 11316 B13R1.3151 O=C(COCCOCCS)C1CC1 95894b3a8de83b9bfd0eca4a808e19c4 [0,1,0,1,0,0|2,0,0]=4 11317 B13R1.3151 O=C(OCNCCCCCl)C1CC1 e120c36e814a0e19f28c0d36afafdd3c [0,1,0,1,0,0|1,0,0]=3 11318 B13R1.3151 O=C(OCNCCCCO)C1CC1 3175d5fcd871c1af3bac39760a34b333 [0,1,0,1,0,0|1,0,0]=3 11319 B13R1.3151 O=C(OCNCCCCS)C1CC1 fea1d2cc230693287c94998489c9c791 [0,1,0,1,0,0|1,0,0]=3 11320 B13R1.3151 O=C(OCOCCCCF)C1CC1 6ebccc1b6a119c0600c0e62fd28caa0d [0,1,0,1,0,0|1,0,0]=3 11321 B13R1.3151 O=C(OCOCCCCS)C1CC1 35df0a9d185bdbbc3f01b466f10d47d4 [0,1,0,1,0,0|1,0,0]=3 11322 B13R1.3151 O=CCCCCOCC(=O)C1CC1 32e1efad7fca52604d33cd963eac3bb7 [0,1,0,1,0,0|1,0,1]=4 11323 B13R1.3151 O=CCCCOCOC(=O)C1CC1 32ebc4098710759cd4ca386bbb9c5476 [0,1,0,1,0,0|1,0,1]=4 11324 B13R1.3507 CCCNC1CCC1C(=O)OCC 6ddce0495fe9f5bd5f8e9402d3641df6 [0,1,0,1,0,0|2,0,0]=4 11325 B13R1.3507 CCCOC1CCC1C(=O)OCC 6ab1763bfc54f5fbed1ddc6a59b34535 [0,1,0,1,0,0|2,0,0]=4 11326 B13R1.3516 CCC1C(=O)NCCN1CCCF 7a107b3fc41849d93af1b97e3da07a4a [0,1,0,1,0,0|2,0,0]=4 11327 B13R1.3516 CCC1C(=O)NCCN1CCCO 6f8175112ea7ccb90311a957cc3a6af5 [0,1,0,1,0,0|2,0,0]=4 11328 B13R1.3516 CCC1C(=O)NCCN1CCCS f87dda7c15c6f272c51fb680b5d4ad36 [0,1,0,1,0,0|2,0,0]=4 11329 B13R1.3516 CCC1C(=O)NCCN1CCOC 96d8b857efb1347a424e00212e4b8d3b [0,1,0,1,0,0|2,0,0]=4 11330 B13R1.3516 CCC1C(=O)NCCN1CCSC a967e0c52cc42d29d08db6ea2ce5d1ae [0,1,0,1,0,0|2,0,0]=4 11331 B13R1.3516 CCCCN1CCNC(=O)C1CC d54750d79f24c6233fc95fe1ed00b3a2 [0,1,0,1,0,0|1,0,0]=3 11332 B13R1.3516 CCOCN1CCNC(=O)C1CC 430dd95b27b1b84ea467baa1d7578d7e [0,1,0,1,0,0|2,0,0]=4 11333 B13R1.3673 CCCCCCOCC1(CCC1)C e1e781d58d23245575e14c69152104e8 [0,1,0,1,0,0|1,0,1]=4 11334 B13R1.3673 CCCCCCOCC1(CCC1)F 9966c16e47b01e9d79026e3af3609e69 [0,1,0,1,0,0|1,0,1]=4 11335 B13R1.27 CCCCCCOC1CCC(C1)C 71691345e3b799815a5bbcb42326ca41 [0,1,0,1,0,0|1,0,1]=4 11336 B13R1.27 CCCCCCOC1CCC(C1)F fe263f4ef86d1e2885f2d076a6a90dfa [0,1,0,1,0,0|1,0,1]=4 11337 B13R1.27 CCCCCCOC1CCN(C1)C 1be71a9e47f9d0f77fe008f2fcb438bd [0,1,0,1,0,0|1,0,1]=4 11338 B13R1.27 CCCCCCOC1COC(C1)C 908c75206ed342d2f8c2a2483fb41a72 [0,1,0,1,0,0|0,0,2]=4 11339 B13R1.27 CCCCCCO[C@@H]1CCN(C1)C 6e66b30b31ccb59de6747422106af07e [0,1,0,1,0,0|1,0,1]=4 11340 B13R1.27 CCCCCCO[C@H]1CCN(C1)C 5f9e65f415728d5d6e5b25ba2a989237 [0,1,0,1,0,0|1,0,1]=4 11341 B13R1.76 CCCOC1CCC(=O)CC1(C)C ad339dc6e75530a74824449e10f49f91 [0,1,0,1,0,0|2,0,0]=4 11342 B13R1.201 C=C(C)CC(=O)N1CCCCC1C 28f09790cbe11cb140ab333f1a306fcd [0,1,0,1,0,0|1,0,1]=4 11343 B13R1.201 C=C(C)CC(=O)N1CCCC[C@@H]1C 2c16ecd8d46ed60b2e80c9f68ae7fe5a [0,1,0,1,0,0|1,0,1]=4 11344 B13R1.201 C=C(C)CC(=O)N1CCCC[C@H]1C 40f01903193425362296a9ae861625e9 [0,1,0,1,0,0|1,0,1]=4 11345 B13R1.201 CC(=O)CC(=O)N1CCCCC1C 072004c6a6189a4ece774f353eecb7dc [0,1,0,1,0,0|1,0,1]=4 11346 B13R1.201 CC(=O)CC(=O)N1CCCC[C@@H]1C 43282b13816c8dd16f6937ec2c457ae7 [0,1,0,1,0,0|1,0,1]=4 11347 B13R1.201 CC(=O)CC(=O)N1CCCC[C@H]1C 47fddee79a70c4fd20cad1fb3a470f0e [0,1,0,1,0,0|1,0,1]=4 11348 B13R1.201 CC(C)CC(=O)N1CCCCC1C 478a6b27560797d7c9e65e9a1d116a78 [0,1,0,1,0,0|1,0,0]=3 11349 B13R1.201 CC(C)CC(=O)N1CCCC[C@@H]1C adef7853d40c39c7d38ca4c3e6971377 [0,1,0,1,0,0|1,0,0]=3 11350 B13R1.201 CC(C)CC(=O)N1CCCC[C@H]1C 750951563baeaebf4de5265cd030fc44 [0,1,0,1,0,0|1,0,0]=3 11351 B13R1.201 CC(O)CC(=O)N1CCCCC1C e429ad2c493cd131347302c94b5609b5 [0,1,0,1,0,0|1,0,0]=3 11352 B13R1.201 CC(O)CC(=O)N1CCCC[C@@H]1C 9d1f1044abab06f5bd5b4ffd15a8d114 [0,1,0,1,0,0|1,0,0]=3 11353 B13R1.201 CC(O)CC(=O)N1CCCC[C@H]1C 4f31988c874ee90aaebfd2ea71bb8937 [0,1,0,1,0,0|1,0,0]=3 11354 B13R1.201 CC1CCCCN1C(=O)CC(F)F ab295bdc57dc221cbb92a1fb38d4341d [0,1,0,1,0,0|2,0,0]=4 11355 B13R1.201 CC1CCCCN1C(=O)CN(C)C 9da8b5e2f7e94ac14f3e342cb6d73a9f [0,1,0,1,0,0|2,0,0]=4 11356 B13R1.201 CC1CCCCN1C(=O)C[C@@H](C)O 535c00199b2a08e3de659ab34d694b43 [0,1,0,1,0,0|1,0,0]=3 11357 B13R1.201 CC1CCCCN1C(=O)C[C@H](C)O a461732f73ead4c2c1ae8ecc036dc38a [0,1,0,1,0,0|1,0,0]=3 11358 B13R1.201 C[C@@H](O)CC(=O)N1CCCC[C@@H]1C ed0e0dcae5ffad8a6f9e4a5ae88f02fc [0,1,0,1,0,0|1,0,0]=3 11359 B13R1.201 C[C@@H]1CCCCN1C(=O)CC(F)F 5b56c1b00d6cf8b32402ff1a2acabe59 [0,1,0,1,0,0|2,0,0]=4 11360 B13R1.201 C[C@@H]1CCCCN1C(=O)CN(C)C b1ebc2d9685b948963a970d6d652a1ae [0,1,0,1,0,0|2,0,0]=4 11361 B13R1.201 C[C@@H]1CCCCN1C(=O)C[C@@H](C)O 781c6e290b90f6ad98691c32a4f5a7dc [0,1,0,1,0,0|1,0,0]=3 11362 B13R1.201 C[C@H](O)CC(=O)N1CCCC[C@@H]1C 929b929fadc98571c5057a48131ff7bd [0,1,0,1,0,0|1,0,0]=3 11363 B13R1.201 C[C@H](O)CC(=O)N1CCCC[C@H]1C f160878db849ed0a943754f4fad07d2a [0,1,0,1,0,0|1,0,0]=3 11364 B13R1.201 C[C@H]1CCCCN1C(=O)CC(F)F 68582b02825f744046237bae0bc9684c [0,1,0,1,0,0|2,0,0]=4 11365 B13R1.201 C[C@H]1CCCCN1C(=O)CN(C)C 4980fb3a53d842c41b6ad0690dde2d1f [0,1,0,1,0,0|2,0,0]=4 11366 B13R1.282 CC(C)CC(=O)CN1CCCC1C c0dd54feee4344db9d48f55cb99ba367 [0,1,0,1,0,0|2,0,0]=4 11367 B13R1.282 CC(C)CC(=O)CN1CCC[C@@H]1C 70a1c5775a527c7a0b78f7f3cad68ced [0,1,0,1,0,0|2,0,0]=4 11368 B13R1.282 CC(C)CC(=O)CN1CCC[C@H]1C fe9a01fbeb6cca1d103c00a09c43d1be [0,1,0,1,0,0|2,0,0]=4 11369 B13R1.282 CC(C)CC(C)OC1CCCC1C 435573a97cafd34e14f9a57a626a3e55 [0,1,0,1,0,0|1,0,1]=4 11370 B13R1.282 CC(C)CC(C)O[C@@H]1CCC[C@@H]1C 75e624942cbad9a4cc5401195a7a7c64 [0,1,0,1,0,0|1,0,1]=4 11371 B13R1.282 CC(C)CC(C)O[C@@H]1CCC[C@H]1C 212c4d2909217b4ac231537cc7ac3439 [0,1,0,1,0,0|1,0,1]=4 11372 B13R1.282 CC(C)CC(C)O[C@H]1CCC[C@@H]1C adc8b88102929291ff3468cc61995a24 [0,1,0,1,0,0|1,0,1]=4 11373 B13R1.282 CC(C)CC(C)O[C@H]1CCC[C@H]1C 61f5db0085fcfba7090b1e718fbcfde0 [0,1,0,1,0,0|1,0,1]=4 11374 B13R1.296 CC(C)CC(=O)CN[C@@H]1CC[C@H]1C a816ad893b9b756e8728c74e1f22b857 [0,1,0,1,0,0|2,0,0]=4 11375 B13R1.296 CC(C)CC(=O)CN[C@H]1CC[C@H]1C 67feb9840667c24e49c82b65d0d2d10a [0,1,0,1,0,0|2,0,0]=4 11376 B13R1.296 CC(C)CC(=O)NCC1CCN1C 9b95ab155409f1b10ee5ab8c83df73d8 [0,1,0,1,0,0|2,0,0]=4 11377 B13R1.296 CC(O)CC(=O)NCC1CCN1C 639d3628a9cd3369a61f6d462ef27756 [0,1,0,1,0,0|2,0,0]=4 11378 B13R1.296 C[C@@H](O)CC(=O)NCC1CCN1C 6c978e628b6ecdaf3cdd4eb742f9d017 [0,1,0,1,0,0|2,0,0]=4 11379 B13R1.296 C[C@H](O)CC(=O)NCC1CCN1C 68cde51d01eb570e3b1794ba3fb803af [0,1,0,1,0,0|2,0,0]=4 11380 B13R1.348 CC(C)CC(=O)NC1CCCOC1 c6c1e523486eea772e9e2f57077de96e [0,1,0,1,0,0|2,0,0]=4 11381 B13R1.348 CC(C)CC(=O)NC1CCOCC1 469e9f7cb2a68236fc963bdc54d29bf1 [0,1,0,1,0,0|2,0,0]=4 11382 B13R1.348 CC(C)CC(=O)N[C@@H]1CCCOC1 085c0927d41d82935abfded06cfe33e1 [0,1,0,1,0,0|2,0,0]=4 11383 B13R1.348 CC(C)CC(=O)N[C@H]1CCCOC1 6e038b4def36ca414554e62c7efd5124 [0,1,0,1,0,0|2,0,0]=4 11384 B13R1.348 CC(C)CC(C)OC1CCCCC1 9d10e6915422a5cb3187f093779c11f5 [0,1,0,1,0,0|1,0,1]=4 11385 B13R1.348 CC(C)C[C@@H](C)OC1CCCCC1 a9d2c1a680e2981f86dd9b76f998d3ef [0,1,0,1,0,0|1,0,1]=4 11386 B13R1.348 CC(C)C[C@H](C)OC1CCCCC1 ae2ee6146311e4c3da7302c64718de04 [0,1,0,1,0,0|1,0,1]=4 11387 B13R1.348 CC(O)CC(=O)NC1CCCOC1 557ae90bc5bb26dc5e0195bdbe8e0a67 [0,1,0,1,0,0|2,0,0]=4 11388 B13R1.348 CC(O)CC(=O)NC1CCOCC1 4888df9f3934255c2b44a458426be3ab [0,1,0,1,0,0|2,0,0]=4 11389 B13R1.348 CC(O)CC(=O)N[C@@H]1CCCOC1 a22f5d5cfb53910f7535215df65e8c5e [0,1,0,1,0,0|2,0,0]=4 11390 B13R1.348 CC(O)CC(=O)N[C@H]1CCCOC1 fb2fa17af0e998fee592edda12c66a0f [0,1,0,1,0,0|2,0,0]=4 11391 B13R1.348 C[C@@H](O)CC(=O)NC1CCCOC1 1a31c993195b3d96c64d75142a21a499 [0,1,0,1,0,0|2,0,0]=4 11392 B13R1.348 C[C@@H](O)CC(=O)NC1CCOCC1 985d91707209cac882bf30da9c55f6a3 [0,1,0,1,0,0|2,0,0]=4 11393 B13R1.348 C[C@@H](O)CC(=O)N[C@@H]1CCCOC1 ed4bc2965892f86e45593a4347fc9861 [0,1,0,1,0,0|2,0,0]=4 11394 B13R1.348 C[C@@H](O)CC(=O)N[C@H]1CCCOC1 6ac05fe90142cc89b94bb393bed78727 [0,1,0,1,0,0|2,0,0]=4 11395 B13R1.348 C[C@H](O)CC(=O)NC1CCCOC1 b915b3ecd7c90d2aa4c6ac5b1e2f950b [0,1,0,1,0,0|2,0,0]=4 11396 B13R1.348 C[C@H](O)CC(=O)NC1CCOCC1 66fab4a6190b422f5c09c08d2a597ebc [0,1,0,1,0,0|2,0,0]=4 11397 B13R1.348 C[C@H](O)CC(=O)N[C@@H]1CCCOC1 a1710baa51c745cd66f86b5c640da58f [0,1,0,1,0,0|2,0,0]=4 11398 B13R1.348 C[C@H](O)CC(=O)N[C@H]1CCCOC1 ef4ff801dfea0fc82b2ac848e710ee9b [0,1,0,1,0,0|2,0,0]=4 11399 B13R1.593 C=C(C)CC(=O)NCC1CCCC1 796b4b5a6bdf1030610e190f08a353bb [0,1,0,1,0,0|1,0,1]=4 11400 B13R1.593 CC(=O)CC(=O)NCC1CCCC1 f119ebf378d303edb29d74dd3379b274 [0,1,0,1,0,0|1,0,1]=4 11401 B13R1.593 CC(C)CC(=O)CNC1CCCC1 930066a8caf1e9bb9b352e52dd519224 [0,1,0,1,0,0|2,0,0]=4 11402 B13R1.593 CC(C)CC(=O)COC1CCCC1 bd1bdc54a844569518e0b6e6e2e4487c [0,1,0,1,0,0|2,0,0]=4 11403 B13R1.593 CC(C)CC(=O)NCC1CCCC1 ad07f5c8ba9b4ded9a0d3b590f8600a7 [0,1,0,1,0,0|1,0,0]=3 11404 B13R1.593 CC(C)CC(=O)NCC1CCCO1 fde7131fe1af646009634009d09bb6ed [0,1,0,1,0,0|2,0,0]=4 11405 B13R1.593 CC(C)CC(=O)NCC1CCOC1 eeab78de92e8fbeb08353796067e2b42 [0,1,0,1,0,0|2,0,0]=4 11406 B13R1.593 CC(C)CC(=O)NC[C@@H]1CCCO1 3a861391940f35a38e8f796f78c1e7de [0,1,0,1,0,0|2,0,0]=4 11407 B13R1.593 CC(C)CC(=O)NC[C@@H]1CCOC1 6fc18b33c0a0f5a06728a16b831a4323 [0,1,0,1,0,0|2,0,0]=4 11408 B13R1.593 CC(C)CC(=O)NC[C@H]1CCCO1 a5a64b5ee088bfc6b8b43b283797c372 [0,1,0,1,0,0|2,0,0]=4 11409 B13R1.593 CC(C)CC(=O)NC[C@H]1CCOC1 45fccc4af3b65cf688bf54a86590c1a3 [0,1,0,1,0,0|2,0,0]=4 11410 B13R1.593 CC(C)CC(=O)OCN1CCSC1 9d6dc54ffee6edabff2d6254194f1d46 [0,1,0,1,0,0|2,0,0]=4 11411 B13R1.593 CC(C)CC(C)OCC1CCCC1 1905089805132a98b0bbb74f0be34fc8 [0,1,0,1,0,0|1,0,1]=4 11412 B13R1.593 CC(C)C[C@@H](C)OCC1CCCC1 fdbde2a76de79ac3f8cd894989a3e652 [0,1,0,1,0,0|1,0,1]=4 11413 B13R1.593 CC(C)C[C@H](C)OCC1CCCC1 febf97bf1fc662c36d8bf92d1fef29f4 [0,1,0,1,0,0|1,0,1]=4 11414 B13R1.593 CC(O)CC(=O)NCC1CCCC1 40ed582e889013c425a5173c749b5d82 [0,1,0,1,0,0|1,0,0]=3 11415 B13R1.593 CC(O)CC(=O)NCC1CCCO1 3e478f20f46233bf849ae7055035cdf8 [0,1,0,1,0,0|2,0,0]=4 11416 B13R1.593 CC(O)CC(=O)NCC1CCOC1 b3107f05eb76376ca5bde3193a005641 [0,1,0,1,0,0|2,0,0]=4 11417 B13R1.593 CC(O)CC(=O)NC[C@@H]1CCCO1 fd85a1a666683fc22508950cece4cff9 [0,1,0,1,0,0|2,0,0]=4 11418 B13R1.593 CC(O)CC(=O)NC[C@@H]1CCOC1 788a19f113c21b0b25ec297cf32a4df4 [0,1,0,1,0,0|2,0,0]=4 11419 B13R1.593 CC(O)CC(=O)NC[C@H]1CCCO1 5e161a662978104055ec7a3a33f8e307 [0,1,0,1,0,0|2,0,0]=4 11420 B13R1.593 CC(O)CC(=O)NC[C@H]1CCOC1 a451fcbb4c9a57373273e7402ae6eab4 [0,1,0,1,0,0|2,0,0]=4 11421 B13R1.593 CN(C)CC(=O)NCC1CCCC1 f5a3b5758e654d82da55618a3974b246 [0,1,0,1,0,0|2,0,0]=4 11422 B13R1.593 C[C@@H](O)CC(=O)NCC1CCCC1 7b3d2414706c7c0f991a348e60875c7d [0,1,0,1,0,0|1,0,0]=3 11423 B13R1.593 C[C@@H](O)CC(=O)NCC1CCCO1 93b49bb1e8f2a7c75a1b1f33f19242e0 [0,1,0,1,0,0|2,0,0]=4 11424 B13R1.593 C[C@@H](O)CC(=O)NCC1CCOC1 ab1a42e66d0c0532781ba9ce43565f29 [0,1,0,1,0,0|2,0,0]=4 11425 B13R1.593 C[C@@H](O)CC(=O)NC[C@@H]1CCCO1 c7c68c50827bb1c07730d335f24aa559 [0,1,0,1,0,0|2,0,0]=4 11426 B13R1.593 C[C@@H](O)CC(=O)NC[C@@H]1CCOC1 50dc1d84444742e08edc3a9b579ee6c6 [0,1,0,1,0,0|2,0,0]=4 11427 B13R1.593 C[C@@H](O)CC(=O)NC[C@H]1CCCO1 39ac30487e4400cc21e60bf7740fe7a3 [0,1,0,1,0,0|2,0,0]=4 11428 B13R1.593 C[C@@H](O)CC(=O)NC[C@H]1CCOC1 a4b436a391e30b407b94c72acea33cbf [0,1,0,1,0,0|2,0,0]=4 11429 B13R1.593 C[C@H](O)CC(=O)NCC1CCCC1 15d6d22a425e25d3e0f9e55c5f375621 [0,1,0,1,0,0|1,0,0]=3 11430 B13R1.593 C[C@H](O)CC(=O)NCC1CCCO1 2df9fbc2be3bc331d5197e972d2b802a [0,1,0,1,0,0|2,0,0]=4 11431 B13R1.593 C[C@H](O)CC(=O)NCC1CCOC1 d77246b661eb84562aac222725a3e3e0 [0,1,0,1,0,0|2,0,0]=4 11432 B13R1.593 C[C@H](O)CC(=O)NC[C@@H]1CCCO1 f1e5c90c6d9a70ea752793ea9b95f7fc [0,1,0,1,0,0|2,0,0]=4 11433 B13R1.593 C[C@H](O)CC(=O)NC[C@@H]1CCOC1 51cf27df5d8918695aaf21ad01851359 [0,1,0,1,0,0|2,0,0]=4 11434 B13R1.593 C[C@H](O)CC(=O)NC[C@H]1CCCO1 12845facc481976e52eb59ae785f148e [0,1,0,1,0,0|2,0,0]=4 11435 B13R1.593 C[C@H](O)CC(=O)NC[C@H]1CCOC1 eea88e3050f4a184715ba19d689e1afc [0,1,0,1,0,0|2,0,0]=4 11436 B13R1.593 O=C(CC(F)F)NCC1CCCC1 ee328e4be6915fa12872868c904097a2 [0,1,0,1,0,0|2,0,0]=4 11437 B13R1.600 CC(C)CC(=O)NCC1CC1CO 074cc09f6875945dbfbc65a8363ef305 [0,1,0,1,0,0|2,0,0]=4 11438 B13R1.600 CC(O)CC(=O)NCC1CC1CO 92ac19b21b3386e6064d740aaddd255f [0,1,0,1,0,0|2,0,0]=4 11439 B13R1.600 C[C@@H](O)CC(=O)NCC1CC1CO 0801195dd4065064d444c32ac1eadd5a [0,1,0,1,0,0|2,0,0]=4 11440 B13R1.600 C[C@H](O)CC(=O)NCC1CC1CO 09bff7ed9e382fd672d8cd66820b7fb6 [0,1,0,1,0,0|2,0,0]=4 11441 B13R1.2027 C=C(C)CC(=O)NCCC1CCC1 0637f06a1c0fd518e16725c4a991566f [0,1,0,1,0,0|1,0,1]=4 11442 B13R1.2027 CC(=O)CC(=O)NCCC1CCC1 9d02a62db06412a5e54bdbf62db28b89 [0,1,0,1,0,0|1,0,1]=4 11443 B13R1.2027 CC(=O)CC(=O)OCCN1CCC1 f0c0d308b99488e3513042a3fb01c9c5 [0,1,0,1,0,0|1,0,1]=4 11444 B13R1.2027 CC(C)CC(=O)CNCC1CCC1 2518ad5a9a3fe292f88c48710e37b679 [0,1,0,1,0,0|2,0,0]=4 11445 B13R1.2027 CC(C)CC(=O)COCC1CCC1 b5e496eed9c406c8f34b00f127754845 [0,1,0,1,0,0|2,0,0]=4 11446 B13R1.2027 CC(C)CC(=O)NCCC1CCC1 937cc3a6920346c5085ac10e201da9da [0,1,0,1,0,0|1,0,0]=3 11447 B13R1.2027 CC(C)CC(=O)NCCC1CCO1 a26bdeb30250821a131dba5a44fe7695 [0,1,0,1,0,0|2,0,0]=4 11448 B13R1.2027 CC(C)CC(=O)NCCC1COC1 5c0b02a9c1ea797cefb738f9495d5d47 [0,1,0,1,0,0|2,0,0]=4 11449 B13R1.2027 CC(C)CC(=O)NCCN1CCC1 2bc72f935f474d0093bfbc05c8fc7b4b [0,1,0,1,0,0|2,0,0]=4 11450 B13R1.2027 CC(C)CC(=O)NCC[C@@H]1CCO1 ff96088cda8b5a567258f06f3a50f693 [0,1,0,1,0,0|2,0,0]=4 11451 B13R1.2027 CC(C)CC(=O)OCNC1CCC1 6a8ace7d69d9cd4189c36194a831599b [0,1,0,1,0,0|1,0,0]=3 11452 B13R1.2027 CC(C)CC(=O)OCNC1COC1 8c454b6093718bfd648cb9e85767244a [0,1,0,1,0,0|2,0,0]=4 11453 B13R1.2027 CC(C)CC(=O)OCOC1CCC1 37f632e808596ef73399d36ffc654ad6 [0,1,0,1,0,0|1,0,0]=3 11454 B13R1.2027 CC(C)CC(=O)OCOC1COC1 6f403ab1ccd262526981fbd81fafe6b9 [0,1,0,1,0,0|2,0,0]=4 11455 B13R1.2027 CC(C)CC(=O)OCOC1CSC1 eb25942abd65f18f90f625bd7b71d607 [0,1,0,1,0,0|2,0,0]=4 11456 B13R1.2027 CC(C)CC(C)OCCC1CCC1 7a488056263f42182f8b777d5294740a [0,1,0,1,0,0|1,0,1]=4 11457 B13R1.2027 CC(C)C[C@@H](C)OCCC1CCC1 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CC(=O)CC(=O)OCCNC1CC1 c0d30130ff827e994c33ab0b4d7ac21b [0,1,0,1,0,0|1,0,1]=4 11479 B13R1.2028 CC(=O)CC(=O)OCCOC1CC1 9ed7b14fda960f37fb82a23882a00c6e [0,1,0,1,0,0|1,0,1]=4 11480 B13R1.2028 CC(C)CC(=O)CNCCC1CC1 696fb5bfaa4cb0a02c0261a7f63f57e1 [0,1,0,1,0,0|2,0,0]=4 11481 B13R1.2028 CC(C)CC(=O)COCCC1CC1 5ae54455ca054759e56fc9e573dd3dff [0,1,0,1,0,0|2,0,0]=4 11482 B13R1.2028 CC(C)CC(=O)NCCOC1CC1 c575887e7efcffb905032bdfbd0f3063 [0,1,0,1,0,0|2,0,0]=4 11483 B13R1.2028 CC(C)CC(=O)OCNCC1CC1 e177cd8b23bac2a30708d20af8c9dc9c [0,1,0,1,0,0|1,0,0]=3 11484 B13R1.2028 CC(C)CC(=O)OCOCC1CC1 02e604cf9b3aef47fd9ffa563ead877d [0,1,0,1,0,0|1,0,0]=3 11485 B13R1.2028 CC(C)CC(C)OCCCC1CC1 681c87950fec0503e0072aaff39f5352 [0,1,0,1,0,0|1,0,1]=4 11486 B13R1.2028 CC(C)OC(=O)OCNCC1CC1 6b56699d002db1638242dce35d2957c0 [0,1,0,1,0,0|2,0,0]=4 11487 B13R1.2028 CC(C)OC(=O)OCOCC1CC1 27259d70c57ff9961288bb3dd2fc1697 [0,1,0,1,0,0|2,0,0]=4 11488 B13R1.2028 CC(O)CC(=O)NCCOC1CC1 07cae7a9d51b767b6f9e39929b3feed2 [0,1,0,1,0,0|2,0,0]=4 11489 B13R1.2028 C[C@@H](O)CC(=O)NCCOC1CC1 c42bcae0a2eb604dfa59984b9ccda574 [0,1,0,1,0,0|2,0,0]=4 11490 B13R1.2028 C[C@H](O)CC(=O)NCCOC1CC1 d1d1fa36c1a4c0f0762fdd8d3a3a3775 [0,1,0,1,0,0|2,0,0]=4 11491 B13R1.2438 CCCCCCOC1CC(C1)(C)C 1dd412d8ff16ad0f7fd41ebf27a36d62 [0,1,0,1,0,0|1,0,1]=4 11492 B13R1.2790 CC(C)CC(=O)COCC1CC1C 70036b9d180af932da649fa0f84ce117 [0,1,0,1,0,0|2,0,0]=4 11493 B13R1.2790 CC(C)CC(=O)COC[C@@H]1C[C@@H]1C 61f46d850a3be4472aaeb3f76f1c28c8 [0,1,0,1,0,0|2,0,0]=4 11494 B13R1.2790 CC(C)CC(=O)COC[C@@H]1C[C@H]1C 4c0dd4e0886775bb4252a59b00acb5f1 [0,1,0,1,0,0|2,0,0]=4 11495 B13R1.2790 CC(C)CC(=O)COC[C@H]1C[C@@H]1C 54f2019ad0b17d33ba829c3a030743dd [0,1,0,1,0,0|2,0,0]=4 11496 B13R1.2790 CC(C)CC(=O)OCNC1CC1C 745aaa80235f28efbddec7ce330d1c6b [0,1,0,1,0,0|1,0,0]=3 11497 B13R1.2790 CC(C)CC(=O)OCN[C@@H]1C[C@H]1F 6645dbbaa0ec5dd33d54a80c42798b7f [0,1,0,1,0,0|2,0,0]=4 11498 B13R1.2790 CC(C)CC(=O)OCN[C@H]1C[C@@H]1F 24e68e69f43e280f84c4ba1a2a8b5453 [0,1,0,1,0,0|2,0,0]=4 11499 B13R1.2790 CC(C)CC(=O)OCN[C@H]1C[C@H]1F 5b6080919c6ae6d165bda56e843169b8 [0,1,0,1,0,0|2,0,0]=4 11500 B13R1.2790 CC(C)OC(=O)OCNC1CC1C f7f0ccb835eefb1d654e8a7e1b888032 [0,1,0,1,0,0|2,0,0]=4 11501 B13R1.2800 C=C(C)CC(=O)N1CCCC1CC 694db061c3574dc1e09424353f565f83 [0,1,0,1,0,0|1,0,1]=4 11502 B13R1.2800 C=C(C)CC(=O)N1CCC[C@H]1CC 599f3a64593b19622241c1e48ce2f5fb [0,1,0,1,0,0|1,0,1]=4 11503 B13R1.2800 CC(C)CC(=O)N1CCCC1CO 748a195c029891190374e607d87466c1 [0,1,0,1,0,0|2,0,0]=4 11504 B13R1.2800 CC(C)CC(=O)N1CCC[C@@H]1CF a2337246178998efe7941bd9aae31714 [0,1,0,1,0,0|2,0,0]=4 11505 B13R1.2800 CC(C)CC(=O)N1CCC[C@@H]1CO 0c90795308c467f6962665e4b5990c56 [0,1,0,1,0,0|2,0,0]=4 11506 B13R1.2800 CC(C)CC(=O)N1CCC[C@H]1CF 183d9bc38f7d5c5f9a914546e801a411 [0,1,0,1,0,0|2,0,0]=4 11507 B13R1.2800 CC(C)CC(=O)N1CCC[C@H]1CO 7023a14026ea66321bb3e50b200cbaf0 [0,1,0,1,0,0|2,0,0]=4 11508 B13R1.2800 CC(O)CC(=O)N1CCCC1CO 8512cebaa6304d8782a2be7975e6f143 [0,1,0,1,0,0|2,0,0]=4 11509 B13R1.2800 CC(O)CC(=O)N1CCC[C@@H]1CF 62e789f3059312373e236fbc3d16ef32 [0,1,0,1,0,0|2,0,0]=4 11510 B13R1.2800 CC(O)CC(=O)N1CCC[C@@H]1CO e5cc292ff0a795feca714162c650e5c8 [0,1,0,1,0,0|2,0,0]=4 11511 B13R1.2800 CC(O)CC(=O)N1CCC[C@H]1CF a5e3744e058a5bec95a84fbdeed8ee0f [0,1,0,1,0,0|2,0,0]=4 11512 B13R1.2800 CC(O)CC(=O)N1CCC[C@H]1CO 1ad99f9fab4de5474a6b8ef6235d2ee2 [0,1,0,1,0,0|2,0,0]=4 11513 B13R1.2800 CCC1CCCN1C(=O)CC(=O)C 72d4a0483ee3e242c3b35c0301177e5c [0,1,0,1,0,0|1,0,1]=4 11514 B13R1.2800 CCC1CCCN1C(=O)CC(C)C 707305ff6944a71e4cab4a06310ed114 [0,1,0,1,0,0|1,0,0]=3 11515 B13R1.2800 CCC1CCCN1C(=O)CC(C)O 4405b306286b61f6abd0a94e0e5bf32e [0,1,0,1,0,0|1,0,0]=3 11516 B13R1.2800 CCC1CCCN1C(=O)CC(F)F 98fe27913afb3606a0d1b485d20f9381 [0,1,0,1,0,0|2,0,0]=4 11517 B13R1.2800 CCC1CCCN1C(=O)CN(C)C 44938a62af15543ba1bed1f1deb0a777 [0,1,0,1,0,0|2,0,0]=4 11518 B13R1.2800 CCC1CCCN1C(=O)C[C@@H](C)O aa3c0094c405d508e64b53fb5f643c4a [0,1,0,1,0,0|1,0,0]=3 11519 B13R1.2800 CCC1CCCN1C(=O)C[C@H](C)O ee6491e5a98965cc3ee87ef2c2474e4b [0,1,0,1,0,0|1,0,0]=3 11520 B13R1.2800 CC[C@@H]1CCCN1C(=O)CC(=O)C 3cb1f6ddd30f1919f6206808d61d6f6f [0,1,0,1,0,0|1,0,1]=4 11521 B13R1.2800 CC[C@@H]1CCCN1C(=O)CC(C)C 9b2b0876d2ae8f321f72cc14f69a7ed2 [0,1,0,1,0,0|1,0,0]=3 11522 B13R1.2800 CC[C@@H]1CCCN1C(=O)CC(C)O 9a5132788d8f2879aee3df8e0a1c3d97 [0,1,0,1,0,0|1,0,0]=3 11523 B13R1.2800 CC[C@@H]1CCCN1C(=O)CC(F)F 654bfb8af113840732abcf1c66855c21 [0,1,0,1,0,0|2,0,0]=4 11524 B13R1.2800 CC[C@@H]1CCCN1C(=O)CN(C)C b4a178b89627bd62e27b19c27538f86f [0,1,0,1,0,0|2,0,0]=4 11525 B13R1.2800 CC[C@@H]1CCCN1C(=O)C[C@@H](C)O 8569ee8746bc63cb91ed0f64b9533a8e [0,1,0,1,0,0|1,0,0]=3 11526 B13R1.2800 CC[C@@H]1CCCN1C(=O)C[C@H](C)O f5d6e03234aa3fa6e39a606d03f5ee3e [0,1,0,1,0,0|1,0,0]=3 11527 B13R1.2800 COC1CCCN1C(=O)CC(C)C 13e18c7e8531b003181fa14e9dae86b2 [0,1,0,1,0,0|2,0,0]=4 11528 B13R1.2800 COC1CCCN1C(=O)CC(C)O f21f16e1d3fa25df86bb28425e6eb92a [0,1,0,1,0,0|2,0,0]=4 11529 B13R1.2800 COC1CCCN1C(=O)C[C@@H](C)O b23221d5dee91f1d67ebdc93d45f8faf [0,1,0,1,0,0|2,0,0]=4 11530 B13R1.2800 COC1CCCN1C(=O)C[C@H](C)O 7874a2f08ee125d19e6a28002685afd2 [0,1,0,1,0,0|2,0,0]=4 11531 B13R1.2800 C[C@@H](O)CC(=O)N1CCCC1CO 831ce66eaff2327a4db7d11cc5279ec3 [0,1,0,1,0,0|2,0,0]=4 11532 B13R1.2800 C[C@@H](O)CC(=O)N1CCC[C@@H]1CF ade12974ce414ca007097bf5513f4e27 [0,1,0,1,0,0|2,0,0]=4 11533 B13R1.2800 C[C@@H](O)CC(=O)N1CCC[C@@H]1CO 25857c1be1bfe9b6f321ef10299dbfeb [0,1,0,1,0,0|2,0,0]=4 11534 B13R1.2800 C[C@@H](O)CC(=O)N1CCC[C@H]1CF e2cbd836a1be4669826d55e2b1753f45 [0,1,0,1,0,0|2,0,0]=4 11535 B13R1.2800 C[C@@H](O)CC(=O)N1CCC[C@H]1CO 069167de5fc1d9258070549b9eda593f [0,1,0,1,0,0|2,0,0]=4 11536 B13R1.2800 C[C@H](O)CC(=O)N1CCCC1CO 21fca5fc9fc2d325d3b98fec7399e4d9 [0,1,0,1,0,0|2,0,0]=4 11537 B13R1.2800 C[C@H](O)CC(=O)N1CCC[C@@H]1CF bc753dfab1a30414ffce1a2215665793 [0,1,0,1,0,0|2,0,0]=4 11538 B13R1.2800 C[C@H](O)CC(=O)N1CCC[C@@H]1CO 9665f46bf25a604fe0cb9576f80146d1 [0,1,0,1,0,0|2,0,0]=4 11539 B13R1.2800 C[C@H](O)CC(=O)N1CCC[C@H]1CF 4ee4635c4592abf1b970674001125fc5 [0,1,0,1,0,0|2,0,0]=4 11540 B13R1.2800 C[C@H](O)CC(=O)N1CCC[C@H]1CO 4334fd86037b0576ad9d6d45adf5f2d7 [0,1,0,1,0,0|2,0,0]=4 11541 B13R1.2804 CCC1CCN1CC(=O)CC(C)C 3836b74462e86dae4f2fec8c906af9ce [0,1,0,1,0,0|2,0,0]=4 11542 B13R1.2804 COC1CCC1NC(=O)CC(C)C 30799d4b75879491136d48be519b075d [0,1,0,1,0,0|2,0,0]=4 11543 B13R1.2804 COC1CCC1NC(=O)CC(C)O af11214d24fc8c57b31319a779e43dea [0,1,0,1,0,0|2,0,0]=4 11544 B13R1.2804 COC1CCC1NC(=O)C[C@@H](C)O 9e29626fbb458b6d0f7a127818f4ab06 [0,1,0,1,0,0|2,0,0]=4 11545 B13R1.2804 COC1CCC1NC(=O)C[C@H](C)O b743d9d123b6a53b3afa7255ca6a4970 [0,1,0,1,0,0|2,0,0]=4 11546 B13R1.2804 CO[C@@H]1CC[C@@H]1NC(=O)CC(C)C ad0f4c03cdf001ee16fe105c2046dc39 [0,1,0,1,0,0|2,0,0]=4 11547 B13R1.2804 CO[C@@H]1CC[C@@H]1NC(=O)CC(C)O ad809c16fdb18fa060f3ad6dc89107c3 [0,1,0,1,0,0|2,0,0]=4 11548 B13R1.2804 CO[C@@H]1CC[C@@H]1NC(=O)C[C@@H](C)O f39f48183fbbf41fe6e6df13e45a3391 [0,1,0,1,0,0|2,0,0]=4 11549 B13R1.2804 CO[C@@H]1CC[C@@H]1NC(=O)C[C@H](C)O a65501d956dbbf93a85f5d15119b7555 [0,1,0,1,0,0|2,0,0]=4 11550 B13R1.2804 CO[C@@H]1CC[C@H]1NC(=O)CC(C)C 854a13cf166bd2803d2c5d623ea4f5c6 [0,1,0,1,0,0|2,0,0]=4 11551 B13R1.2804 CO[C@@H]1CC[C@H]1NC(=O)CC(C)O e3922092bbcda4eb468c41f7a0badffb [0,1,0,1,0,0|2,0,0]=4 11552 B13R1.2804 CO[C@@H]1CC[C@H]1NC(=O)C[C@@H](C)O 09810329900d0dd2af1ff75ab7b78e3e [0,1,0,1,0,0|2,0,0]=4 11553 B13R1.2804 CO[C@@H]1CC[C@H]1NC(=O)C[C@H](C)O 57d8ad96e1f7f5285e187f8031253f89 [0,1,0,1,0,0|2,0,0]=4 11554 B13R1.2804 CO[C@H]1CC[C@@H]1NC(=O)CC(C)C b11373028ee5c9cf118285e27fec9c0c [0,1,0,1,0,0|2,0,0]=4 11555 B13R1.2804 CO[C@H]1CC[C@@H]1NC(=O)CC(C)O d3535459371908bfa9896ad7030a7322 [0,1,0,1,0,0|2,0,0]=4 11556 B13R1.2804 CO[C@H]1CC[C@@H]1NC(=O)C[C@@H](C)O 4a8555c09c03208add57510bd07498a3 [0,1,0,1,0,0|2,0,0]=4 11557 B13R1.2804 CO[C@H]1CC[C@@H]1NC(=O)C[C@H](C)O 318003479e847d6f937ae5a4ff38c9fe [0,1,0,1,0,0|2,0,0]=4 11558 B13R1.2804 CO[C@H]1CC[C@H]1NC(=O)CC(C)C 1c1700c87f426ba89b05e3f8c0234766 [0,1,0,1,0,0|2,0,0]=4 11559 B13R1.2804 CO[C@H]1CC[C@H]1NC(=O)CC(C)O a7274a754a70ab4b6c69f4879a7cdc0d [0,1,0,1,0,0|2,0,0]=4 11560 B13R1.2804 CO[C@H]1CC[C@H]1NC(=O)C[C@@H](C)O ae4bc409cf174b990573124e4802436e [0,1,0,1,0,0|2,0,0]=4 11561 B13R1.2804 CO[C@H]1CC[C@H]1NC(=O)C[C@H](C)O 65baa942fc0463c10aa7e3046c22de18 [0,1,0,1,0,0|2,0,0]=4 11562 B13R1.2884 CC(C)CC(=O)N1CCC1CCO 17bf9110a7160032bc13fe43e8b152c6 [0,1,0,1,0,0|2,0,0]=4 11563 B13R1.2884 CC(O)CC(=O)N1CCC1CCO 1c9757304e5cdaf9f78a70494c8cd0ca [0,1,0,1,0,0|2,0,0]=4 11564 B13R1.2884 COCC1CCN1C(=O)CC(C)C ddffdb42bdabacb9f99138dfafcad276 [0,1,0,1,0,0|2,0,0]=4 11565 B13R1.2884 COCC1CCN1C(=O)CC(C)O 16d6d4988ef9da9025dfad0462f5b89d [0,1,0,1,0,0|2,0,0]=4 11566 B13R1.2884 COCC1CCN1C(=O)C[C@@H](C)O e776cccdf0163361a28c9539610619be [0,1,0,1,0,0|2,0,0]=4 11567 B13R1.2884 COCC1CCN1C(=O)C[C@H](C)O 9ced1473f346bd304b9f8fde29b7df77 [0,1,0,1,0,0|2,0,0]=4 11568 B13R1.2884 COC[C@@H]1CCN1C(=O)CC(C)C 53fcfbd200f49a499ef9c8ffbf157f2d [0,1,0,1,0,0|2,0,0]=4 11569 B13R1.2884 COC[C@@H]1CCN1C(=O)CC(C)O 1bbc0cdfc7c1f57e859b30f98dc547cb [0,1,0,1,0,0|2,0,0]=4 11570 B13R1.2884 COC[C@@H]1CCN1C(=O)C[C@@H](C)O 9b09d897776ef5db1231f3600e48a2c7 [0,1,0,1,0,0|2,0,0]=4 11571 B13R1.2884 COC[C@@H]1CCN1C(=O)C[C@H](C)O 9376ac1638b9c6c48c9421717e98bdbd [0,1,0,1,0,0|2,0,0]=4 11572 B13R1.2884 COC[C@H]1CCN1C(=O)CC(C)C 7bf51b4d0a46517ac0680fad804133ba [0,1,0,1,0,0|2,0,0]=4 11573 B13R1.2884 COC[C@H]1CCN1C(=O)CC(C)O effe24e09ed852e203e9c156f7e60484 [0,1,0,1,0,0|2,0,0]=4 11574 B13R1.2884 COC[C@H]1CCN1C(=O)C[C@@H](C)O 57dc0f6a878dbe5f7fa5019eee4861bf [0,1,0,1,0,0|2,0,0]=4 11575 B13R1.2884 COC[C@H]1CCN1C(=O)C[C@H](C)O a282c73086b3bda8f802a9ffbfb387f2 [0,1,0,1,0,0|2,0,0]=4 11576 B13R1.2884 C[C@@H](O)CC(=O)N1CCC1CCO c5c0ee53ef36001bb6d939f332ba0495 [0,1,0,1,0,0|2,0,0]=4 11577 B13R1.2884 C[C@H](O)CC(=O)N1CCC1CCO f9c05d58d2660d4f4938119f327a9804 [0,1,0,1,0,0|2,0,0]=4 11578 B13R1.2897 CCCN1CCNC(=O)C1C(C)C 0e8699c4ea76a09e8cfe0aba8a6cde60 [0,1,0,1,0,0|2,0,0]=4 11579 B13R1.3404 COC[C@@H]1C[C@@H]1NC(=O)CC(C)C ae2e3e862f23dde9406944b64b35d74b [0,1,0,1,0,0|2,0,0]=4 11580 B13R1.3404 COC[C@@H]1C[C@@H]1NC(=O)CC(C)O 1d21815562f1a2f47cab8ec2fc8e686f [0,1,0,1,0,0|2,0,0]=4 11581 B13R1.3404 COC[C@@H]1C[C@@H]1NC(=O)C[C@@H](C)O 84fa8423ee02d7cb721f6d9ec78e6879 [0,1,0,1,0,0|2,0,0]=4 11582 B13R1.3404 COC[C@@H]1C[C@@H]1NC(=O)C[C@H](C)O 98cd6fc7bee988e7d02795a073e7ba4d [0,1,0,1,0,0|2,0,0]=4 11583 B13R1.3404 COC[C@H]1C[C@@H]1NC(=O)CC(C)C 924f930d37143c9095df4ee4a987eb72 [0,1,0,1,0,0|2,0,0]=4 11584 B13R1.3404 COC[C@H]1C[C@@H]1NC(=O)CC(C)O 072ccf4560beeebebfc9b584d353304f [0,1,0,1,0,0|2,0,0]=4 11585 B13R1.3404 COC[C@H]1C[C@@H]1NC(=O)C[C@@H](C)O 70283a870d46b1d7421000df335aaa8b [0,1,0,1,0,0|2,0,0]=4 11586 B13R1.3404 COC[C@H]1C[C@@H]1NC(=O)C[C@H](C)O 4a1036aa6a25d11206a1b02f4e1f826b [0,1,0,1,0,0|2,0,0]=4 11587 B13R1.3574 CCCCC/C=C/C(=O)NC1CC1 254623ed7f65ff6c0df1125929f02a67 [0,1,0,1,0,0|1,0,1]=4 11588 B13R1.3574 CCCCCC#CC(=O)NC1CC1 c7c473682a2ccf3a523a0ae914d372b1 [0,1,0,1,0,0|1,0,1]=4 11589 B13R1.3574 CCCCCCCC(=O)NC1CC1 daa6d08fa0afb30ea5df993931a10452 [0,1,0,1,0,0|1,0,0]=3 11590 B13R1.3574 CCCCCCNC(=O)CC1CC1 1e8a92da6b1b91be48128954588084c0 [0,1,0,1,0,0|1,0,0]=3 11591 B13R1.3574 CCCCCCNC(=O)NC1CC1 c6ea6960ee81ab7b4f866f28fea4368f [0,1,0,1,0,0|1,0,0]=3 11592 B13R1.3574 CCCCCCNC(=S)NC1CC1 16c2607b10db6dda4495fd164e71bfe4 [0,1,0,1,0,0|1,1,0]=4 11593 B13R1.3574 CCCCCCOC(C)CC1CC1 700a5146a49658cde6a379af9c8140b0 [0,1,0,1,0,0|1,0,1]=4 11594 B13R1.3574 CCCCCNCC(=O)NC1CC1 f2e04a3519d872df08b3251c2e4bfd5b [0,1,0,1,0,0|2,0,0]=4 11595 B13R1.3574 CCCCCOCC(=O)NC1CC1 f2830e1e566311094091dedd5f305f05 [0,1,0,1,0,0|2,0,0]=4 11596 B13R1.3574 CCCCNCCC(=O)NC1CC1 8caaef9a2e8bcedb1c7034815ef7583c [0,1,0,1,0,0|2,0,0]=4 11597 B13R1.3574 CCCCOCCC(=O)NC1CC1 57d72f42a032c69b03b9a332e61d33f8 [0,1,0,1,0,0|2,0,0]=4 11598 B13R1.3574 CCCNCCCC(=O)NC1CC1 2cd1d10891c3c11028b52381c1e8cf4a [0,1,0,1,0,0|2,0,0]=4 11599 B13R1.3574 CCCOCCCC(=O)NC1CC1 e07e3641735cc4676c780366987faf89 [0,1,0,1,0,0|2,0,0]=4 11600 B13R1.3574 CCCOCCNC(=O)CC1CC1 b590d1b6b2961074865121320c03bded [0,1,0,1,0,0|2,0,0]=4 11601 B13R1.3574 CCCOCCNC(=O)NC1CC1 473288f169a589b022e9e3b7ed607d21 [0,1,0,1,0,0|2,0,0]=4 11602 B13R1.3574 CCOCCCCC(=O)NC1CC1 323b433721f00a748c92210b0c3e94a3 [0,1,0,1,0,0|2,0,0]=4 11603 B13R1.3574 CCOCCCNC(=O)CC1CC1 51e183cb1890fb1cc233bf06d57fe137 [0,1,0,1,0,0|2,0,0]=4 11604 B13R1.3574 CCOCCCNC(=O)NC1CC1 158396b1830f2afefb71c08ab20a2907 [0,1,0,1,0,0|2,0,0]=4 11605 B13R1.3574 COCCCCCC(=O)NC1CC1 c624ec89718f4ca3f8c9763604d8d07a [0,1,0,1,0,0|2,0,0]=4 11606 B13R1.3574 COCCCCNC(=O)CC1CC1 91d3209e3eaf69026a1c81f19e8366c3 [0,1,0,1,0,0|2,0,0]=4 11607 B13R1.3574 COCCCCNC(=O)NC1CC1 ad003da313bc494f1a71004ff83edaf7 [0,1,0,1,0,0|2,0,0]=4 11608 B13R1.3574 CSCCCCNC(=O)CC1CC1 4d12975bc4d6b30dc93659e919006c97 [0,1,0,1,0,0|2,0,0]=4 11609 B13R1.3574 CSCCCCNC(=O)NC1CC1 9134d302f24589720dda19c748958e6e [0,1,0,1,0,0|2,0,0]=4 11610 B13R1.3574 NCCCCCNC(=O)NC1CC1 af637665ee05545f323fb83f5ad9288b [0,1,0,1,0,0|2,0,0]=4 11611 B13R1.3574 O=C(CC1CC1)NCCCCCCl 190d1d01b9b4d261c7c19b710d33bfce [0,1,0,1,0,0|2,0,0]=4 11612 B13R1.3574 O=C(CC1CC1)NCCCCCO bdbf156ba4668fc8ab7be41f7b8fc814 [0,1,0,1,0,0|2,0,0]=4 11613 B13R1.3574 O=C(CCCCCCF)NC1CC1 1391dbf16713bebedbab5ce72dab4fec [0,1,0,1,0,0|2,0,0]=4 11614 B13R1.3574 O=C(CCCCCCO)NC1CC1 07d46081a96f5b4d110153acc451417b [0,1,0,1,0,0|2,0,0]=4 11615 B13R1.3574 O=C(CCCCCCS)NC1CC1 765442a010c22af6d5f58f17f21ea145 [0,1,0,1,0,0|2,0,0]=4 11616 B13R1.3574 O=C(NCCCCCO)NC1CC1 c340254e339d7f87c3ffdf0bd6cd249f [0,1,0,1,0,0|2,0,0]=4 11617 B13R1.7456 C=C(C)CC(=O)N1CCCCCC1 c56efbf1506210fa59b66f3696216085 [0,1,0,1,0,0|1,0,1]=4 11618 B13R1.7456 CC(=O)CC(=O)N1CCCCCC1 214d1a635b6604e0cfe241d0a95a10fd [0,1,0,1,0,0|1,0,1]=4 11619 B13R1.7456 CC(C)CC(=O)N1CCCCCC1 16a8d62d337282ef1f4e6dd5cb69e201 [0,1,0,1,0,0|1,0,0]=3 11620 B13R1.7456 CC(C)CC(=O)N1CCCOCC1 e1cf3ab6b3cb268c7ce00433b648d374 [0,1,0,1,0,0|2,0,0]=4 11621 B13R1.7456 CC(O)CC(=O)N1CCCCCC1 c2486f9b821b8a326589232c2086eeb5 [0,1,0,1,0,0|1,0,0]=3 11622 B13R1.7456 CC(O)CC(=O)N1CCCOCC1 f2906893c03bc445a005c8c71ee3db56 [0,1,0,1,0,0|2,0,0]=4 11623 B13R1.7456 CN(C)CC(=O)N1CCCCCC1 2d58f47f0d7b3a2f49847e0fade7328f [0,1,0,1,0,0|2,0,0]=4 11624 B13R1.7456 C[C@@H](O)CC(=O)N1CCCCCC1 b55433298a6ec56d6746702e9a55defe [0,1,0,1,0,0|1,0,0]=3 11625 B13R1.7456 C[C@@H](O)CC(=O)N1CCCOCC1 973457a0e68904bd0bb36eb6dcf5cc29 [0,1,0,1,0,0|2,0,0]=4 11626 B13R1.7456 C[C@H](O)CC(=O)N1CCCCCC1 d515ef1c2413e8bc7ed8f40618cb3f9e [0,1,0,1,0,0|1,0,0]=3 11627 B13R1.7456 C[C@H](O)CC(=O)N1CCCOCC1 1d3d926fab80d8d040ce1774c47234ca [0,1,0,1,0,0|2,0,0]=4 11628 B13R1.7456 O=C(CC(F)F)N1CCCCCC1 ab587f95d8b431f5102dc05a78550226 [0,1,0,1,0,0|2,0,0]=4 11629 B13R1.102 C=C(CC)C(=O)N1CCCC1CC 98e020d94eebacb86faf9b2a4640ba97 [0,1,0,1,0,0|1,0,1]=4 11630 B13R1.102 C=C(CC)C(=O)N1CCC[C@H]1CC b1842d4ba7d76fc134e71cc45591ad43 [0,1,0,1,0,0|1,0,1]=4 11631 B13R1.102 CCC(=O)C(=O)N1CCCC1CC 730406053f833632d691e8d4c6372a34 [0,1,0,1,0,0|1,0,1]=4 11632 B13R1.102 CCC(=O)C(=O)N1CCC[C@H]1CC f2347b80b2af98c2d4ea5145358de91e [0,1,0,1,0,0|1,0,1]=4 11633 B13R1.102 CCC(O)C(=O)N1CCCC1CC cc2a608af922a2358729c1d90bede825 [0,1,0,1,0,0|1,0,0]=3 11634 B13R1.102 CCC(O)C(=O)N1CCCC1CO 13c701a90954611f6e7ff9804d2614ae [0,1,0,1,0,0|2,0,0]=4 11635 B13R1.102 CCC(O)C(=O)N1CCCC1OC c137dad35d24a83f0bc22ca4c86982bd [0,1,0,1,0,0|2,0,0]=4 11636 B13R1.102 CCC(O)C(=O)N1CCC[C@@H]1CF edf0ca8a59e2549bd4e345cfc1826ac1 [0,1,0,1,0,0|2,0,0]=4 11637 B13R1.102 CCC(O)C(=O)N1CCC[C@@H]1CO 9d8052d4522215848f332bf63900806a [0,1,0,1,0,0|2,0,0]=4 11638 B13R1.102 CCC(O)C(=O)N1CCC[C@H]1CC 39eabf09af0b79c3e4d0b0b8ad3f6bdc [0,1,0,1,0,0|1,0,0]=3 11639 B13R1.102 CCC(O)C(=O)N1CCC[C@H]1CF ae76fc81d4cd9ff0f767aefe0f92a2aa [0,1,0,1,0,0|2,0,0]=4 11640 B13R1.102 CCC(O)C(=O)N1CCC[C@H]1CO c41251d7084a2350eaace416a84cefe3 [0,1,0,1,0,0|2,0,0]=4 11641 B13R1.102 CCC1CCCN1C(=O)C(C)OC ea409d079d962e344a9ea1e9a12d9834 [0,1,0,1,0,0|2,0,0]=4 11642 B13R1.102 CCC1CCCN1C(=O)C(C)SC 2162272c577ca8e5b7f0766ae72fb20f [0,1,0,1,0,0|2,0,0]=4 11643 B13R1.102 CCC1CCCN1C(=O)C(O)CO 82e6cd6eda5c0d6cc61d340eba095b4c [0,1,0,1,0,0|2,0,0]=4 11644 B13R1.102 CCC1CCCN1C(=O)[C@@H](C)OC ee6bc8720c93f0c4c40389868265d23c [0,1,0,1,0,0|2,0,0]=4 11645 B13R1.102 CCC1CCCN1C(=O)[C@@H](O)CC bb0f3484680ce15e478dc543ff1ae32f [0,1,0,1,0,0|1,0,0]=3 11646 B13R1.102 CCC1CCCN1C(=O)[C@@H](O)CO 877b85771bf75f20315f121ee84f6e7a [0,1,0,1,0,0|2,0,0]=4 11647 B13R1.102 CCC1CCCN1C(=O)[C@@H](S)CC 6b9d5404b4099f9d78a437f59aa3c616 [0,1,0,1,0,0|1,0,0]=3 11648 B13R1.102 CCC1CCCN1C(=O)[C@H](C)OC 08b05326e245165acc2fb8f9d9df1607 [0,1,0,1,0,0|2,0,0]=4 11649 B13R1.102 CCC1CCCN1C(=O)[C@H](O)CC ec75c2420a7b1d3448921692a02b0c98 [0,1,0,1,0,0|1,0,0]=3 11650 B13R1.102 CCC1CCCN1C(=O)[C@H](O)CF 9f19650b25df0bb0bab6282f2e8a0efc [0,1,0,1,0,0|2,0,0]=4 11651 B13R1.102 CC[C@@H](O)C(=O)N1CCCC1CO ebe57459804bd77e98493313f6c16014 [0,1,0,1,0,0|2,0,0]=4 11652 B13R1.102 CC[C@@H](O)C(=O)N1CCCC1OC 93a48d50d7d22779e348df4951808283 [0,1,0,1,0,0|2,0,0]=4 11653 B13R1.102 CC[C@@H](O)C(=O)N1CCC[C@@H]1CF 403f30d91988b99c0221e9e01fa7d215 [0,1,0,1,0,0|2,0,0]=4 11654 B13R1.102 CC[C@@H](O)C(=O)N1CCC[C@@H]1CO d83079aca0567f1655be63527b1ed713 [0,1,0,1,0,0|2,0,0]=4 11655 B13R1.102 CC[C@@H](O)C(=O)N1CCC[C@H]1CF df2d54ad3a79e772766486a8a452fde5 [0,1,0,1,0,0|2,0,0]=4 11656 B13R1.102 CC[C@@H](O)C(=O)N1CCC[C@H]1CO 52988d7fecc51f9fca995a4cfcff3abd [0,1,0,1,0,0|2,0,0]=4 11657 B13R1.102 CC[C@@H]1CCCN1C(=O)C(C)OC 8267e49e4c4134379737d8a05fd0e692 [0,1,0,1,0,0|2,0,0]=4 11658 B13R1.102 CC[C@@H]1CCCN1C(=O)C(C)SC 35bbd7fef1b607caa00e2d87b8b21ac8 [0,1,0,1,0,0|2,0,0]=4 11659 B13R1.102 CC[C@@H]1CCCN1C(=O)C(O)CO 5f105bb526e4ff765fef580619104020 [0,1,0,1,0,0|2,0,0]=4 11660 B13R1.102 CC[C@@H]1CCCN1C(=O)[C@@H](C)OC de68e31599709cbd9e837d37f10fd9f8 [0,1,0,1,0,0|2,0,0]=4 11661 B13R1.102 CC[C@@H]1CCCN1C(=O)[C@@H](O)CC f530f1784b2c5e8d7b80defe4c4bec83 [0,1,0,1,0,0|1,0,0]=3 11662 B13R1.102 CC[C@@H]1CCCN1C(=O)[C@@H](O)CO 3e9f9928cda00be11747934690d1aba6 [0,1,0,1,0,0|2,0,0]=4 11663 B13R1.102 CC[C@@H]1CCCN1C(=O)[C@@H](S)CC d09983a53201aa839b2f28425801e979 [0,1,0,1,0,0|1,0,0]=3 11664 B13R1.102 CC[C@@H]1CCCN1C(=O)[C@H](C)OC a6fe0e1b9e3a297265d1dab059d739b6 [0,1,0,1,0,0|2,0,0]=4 11665 B13R1.102 CC[C@@H]1CCCN1C(=O)[C@H](O)CC d7726adb6416dc1c15e8c2ca1014a234 [0,1,0,1,0,0|1,0,0]=3 11666 B13R1.102 CC[C@@H]1CCCN1C(=O)[C@H](O)CF 9a8ea6e7b801e4cf932bfb752e5db270 [0,1,0,1,0,0|2,0,0]=4 11667 B13R1.102 CC[C@H](O)C(=O)N1CCCC1CO 1ef97b54a5fb43540d6b10254a0f9e43 [0,1,0,1,0,0|2,0,0]=4 11668 B13R1.102 CC[C@H](O)C(=O)N1CCCC1OC 5176eed7abe53cae04cbb841a392f4d1 [0,1,0,1,0,0|2,0,0]=4 11669 B13R1.102 CC[C@H](O)C(=O)N1CCC[C@@H]1CF ec2dbf613f781d71a6fc137fe1978214 [0,1,0,1,0,0|2,0,0]=4 11670 B13R1.102 CC[C@H](O)C(=O)N1CCC[C@@H]1CO 11433764e4f0ff2b0254a8b8f6c6ac30 [0,1,0,1,0,0|2,0,0]=4 11671 B13R1.102 CC[C@H](O)C(=O)N1CCC[C@H]1CF ecc391bf7540504a9345466f1010d2ec [0,1,0,1,0,0|2,0,0]=4 11672 B13R1.102 CC[C@H](O)C(=O)N1CCC[C@H]1CO 191ae41cc37246c6aef21d8c3d8bc3d2 [0,1,0,1,0,0|2,0,0]=4 11673 B13R1.102 CC[C@H](S)C(=O)N1CCCC1CO f1b877f530709466099cfe24fd54f9d3 [0,1,0,1,0,0|2,0,0]=4 11674 B13R1.102 CC[C@H](S)C(=O)N1CCCC1OC 05783603c262ef26ae04fc8728ac0876 [0,1,0,1,0,0|2,0,0]=4 11675 B13R1.102 CC[C@H](S)C(=O)N1CCC[C@@H]1CF c23a446ff2b9e75f2d84503aaa193273 [0,1,0,1,0,0|2,0,0]=4 11676 B13R1.102 CC[C@H](S)C(=O)N1CCC[C@@H]1CO a381a155de8bd22b2841f3c196541473 [0,1,0,1,0,0|2,0,0]=4 11677 B13R1.102 CC[C@H](S)C(=O)N1CCC[C@H]1CF a26748019ce749e7b67a28f0f5504b4b [0,1,0,1,0,0|2,0,0]=4 11678 B13R1.102 CC[C@H](S)C(=O)N1CCC[C@H]1CO c447f150cdf5cc85664b06cf782b0a6c [0,1,0,1,0,0|2,0,0]=4 11679 B13R1.135 CCC(C)C(C)OC1CCCCC1 1ed5b5ebdd1a260a4a952ea107f8f557 [0,1,0,1,0,0|1,0,1]=4 11680 B13R1.135 CCC(O)C(=O)NC1CCCOC1 09143c52aa85038d0d03b92edd8dd4c6 [0,1,0,1,0,0|2,0,0]=4 11681 B13R1.135 CCC(O)C(=O)NC1CCOCC1 432b3ba1949181c4d017cefe59466cff [0,1,0,1,0,0|2,0,0]=4 11682 B13R1.135 CCC(O)C(=O)N[C@@H]1CCCOC1 acede5eb42b91ba782d3e41895547af3 [0,1,0,1,0,0|2,0,0]=4 11683 B13R1.135 CCC(O)C(=O)N[C@H]1CCCOC1 7ee564a8d58f5e934596374dbce4a3b8 [0,1,0,1,0,0|2,0,0]=4 11684 B13R1.135 CCN(C)C(=O)CC1CCCCC1 2edbd8e736df2cbe503465f616e61c36 [0,1,0,1,0,0|2,0,0]=4 11685 B13R1.135 CC[C@@H](O)C(=O)NC1CCCOC1 a25dc724d37d1865ba4e115b981b6ef7 [0,1,0,1,0,0|2,0,0]=4 11686 B13R1.135 CC[C@@H](O)C(=O)NC1CCOCC1 bdec5c9859560069f556e8714bbd2139 [0,1,0,1,0,0|2,0,0]=4 11687 B13R1.135 CC[C@@H](O)C(=O)N[C@@H]1CCCOC1 970f884bb1d8d51dafba03d5c05fee97 [0,1,0,1,0,0|2,0,0]=4 11688 B13R1.135 CC[C@@H](O)C(=O)N[C@H]1CCCOC1 7e3147fb466e65b362df9818b84a26ed [0,1,0,1,0,0|2,0,0]=4 11689 B13R1.135 CC[C@H](O)C(=O)NC1CCCOC1 7ce3bda8caa233f7ea1a279c361a3fd4 [0,1,0,1,0,0|2,0,0]=4 11690 B13R1.135 CC[C@H](O)C(=O)NC1CCOCC1 0eed7750ed7839f4280bce16733f258f [0,1,0,1,0,0|2,0,0]=4 11691 B13R1.135 CC[C@H](O)C(=O)N[C@@H]1CCCOC1 46b80b3e89d781b297989e7db2896e18 [0,1,0,1,0,0|2,0,0]=4 11692 B13R1.135 CC[C@H](O)C(=O)N[C@H]1CCCOC1 75490f9291163995e740d5ecc5852266 [0,1,0,1,0,0|2,0,0]=4 11693 B13R1.135 CC[C@H](S)C(=O)NC1CCCOC1 27006a17a17c264560a0a9764d667fc9 [0,1,0,1,0,0|2,0,0]=4 11694 B13R1.135 CC[C@H](S)C(=O)NC1CCOCC1 eb12018aace5aca81b59f3f87a6ef90b [0,1,0,1,0,0|2,0,0]=4 11695 B13R1.135 CC[C@H](S)C(=O)NC1CCSCC1 6ac9c1270c094de8fc86f651df5c4c05 [0,1,0,1,0,0|2,0,0]=4 11696 B13R1.135 CC[C@H](S)C(=O)N[C@@H]1CCCOC1 8e8267fd693dae80dcbaad538d70b77f [0,1,0,1,0,0|2,0,0]=4 11697 B13R1.135 CC[C@H](S)C(=O)N[C@H]1CCCOC1 701967e02ad680e31d2d0dae3817ae6c [0,1,0,1,0,0|2,0,0]=4 11698 B13R1.212 CCC(O)C(=O)N[C@H]1C[C@@H]1COC 0bb53a2d367c1ded3fc152af1a1a7853 [0,1,0,1,0,0|2,0,0]=4 11699 B13R1.212 CCC(O)C(=O)N[C@H]1C[C@H]1COC b9a1091066dee9eadd357c8af9753aad [0,1,0,1,0,0|2,0,0]=4 11700 B13R1.212 CC[C@@H](O)C(=O)N[C@H]1C[C@@H]1COC 04bfe1fe482b3529e78e1e343e5ff44f [0,1,0,1,0,0|2,0,0]=4 11701 B13R1.212 CC[C@@H](O)C(=O)N[C@H]1C[C@H]1COC f9e66f5e0a6c5a5613cc2828360ba475 [0,1,0,1,0,0|2,0,0]=4 11702 B13R1.212 CC[C@H](O)C(=O)N[C@H]1C[C@@H]1COC fa997fa5720a059190b6ec96f4454c00 [0,1,0,1,0,0|2,0,0]=4 11703 B13R1.212 CC[C@H](O)C(=O)N[C@H]1C[C@H]1COC f7c034e45278319574e6f5f67dc026ee [0,1,0,1,0,0|2,0,0]=4 11704 B13R1.212 CC[C@H](S)C(=O)N[C@H]1C[C@@H]1COC fabe698353b5a92f7a0ee36c3d115791 [0,1,0,1,0,0|2,0,0]=4 11705 B13R1.212 CC[C@H](S)C(=O)N[C@H]1C[C@H]1COC 2b7b3b95d93c18f49425337ba4ed3592 [0,1,0,1,0,0|2,0,0]=4 11706 B13R1.217 CCC(O)C(=O)N1CCC1CCO b08508bd82c32297dda933e0f6c75d74 [0,1,0,1,0,0|2,0,0]=4 11707 B13R1.217 CCC(O)C(=O)N1CCC1COC bacd198bd4acfc873fc59cefa51c1b6a [0,1,0,1,0,0|2,0,0]=4 11708 B13R1.217 CCC(O)C(=O)N1CC[C@@H]1COC 454093d3e328da699c7e1a7923e920b5 [0,1,0,1,0,0|2,0,0]=4 11709 B13R1.217 CCC(O)C(=O)N1CC[C@H]1COC 5cd4d65acb0385ccf67d7cf3f25167ed [0,1,0,1,0,0|2,0,0]=4 11710 B13R1.217 CC[C@@H](O)C(=O)N1CCC1CCO 4becae1ec16f55e34c03fea4c9464213 [0,1,0,1,0,0|2,0,0]=4 11711 B13R1.217 CC[C@@H](O)C(=O)N1CCC1COC d6fafcd532079e502d2da6f6cd1ddf5c [0,1,0,1,0,0|2,0,0]=4 11712 B13R1.217 CC[C@@H](O)C(=O)N1CC[C@@H]1COC 2a1d6b598dd8e3146b334cd7967909e6 [0,1,0,1,0,0|2,0,0]=4 11713 B13R1.217 CC[C@@H](O)C(=O)N1CC[C@H]1COC e41ed9a63813bfe2702b21b6539202e8 [0,1,0,1,0,0|2,0,0]=4 11714 B13R1.217 CC[C@H](O)C(=O)N1CCC1CCO 3b917e8e77f7435e2c6c30c223cc999b [0,1,0,1,0,0|2,0,0]=4 11715 B13R1.217 CC[C@H](O)C(=O)N1CCC1COC 51f0cadde04ffa55be48bb5876f1ab74 [0,1,0,1,0,0|2,0,0]=4 11716 B13R1.217 CC[C@H](O)C(=O)N1CC[C@@H]1COC 9641b4a670745d8ddcdde5a9b8a4061f [0,1,0,1,0,0|2,0,0]=4 11717 B13R1.217 CC[C@H](O)C(=O)N1CC[C@H]1COC 8e31f284487e23e587ee93ca354430cd [0,1,0,1,0,0|2,0,0]=4 11718 B13R1.217 CC[C@H](S)C(=O)N1CCC1CCO 59e4194b06b4266bbcef5bbc301fb815 [0,1,0,1,0,0|2,0,0]=4 11719 B13R1.217 CC[C@H](S)C(=O)N1CCC1COC d657395be979c601a8ad8efa82908044 [0,1,0,1,0,0|2,0,0]=4 11720 B13R1.217 CC[C@H](S)C(=O)N1CC[C@@H]1COC 533b3f10093b120cc1ca2d0a8e45bc00 [0,1,0,1,0,0|2,0,0]=4 11721 B13R1.217 CC[C@H](S)C(=O)N1CC[C@H]1COC 2a6d1de99d5290ef9d354c3b01e5563b [0,1,0,1,0,0|2,0,0]=4 11722 B13R1.554 C=C(CC)C(=O)NCC1CCCC1 ca4fcabfb525046d2375126e8b2847ba [0,1,0,1,0,0|1,0,1]=4 11723 B13R1.554 CCC(=O)C(=O)NCC1CCCC1 3bbdeb814879c363ff7fcdec9eda5c2a [0,1,0,1,0,0|1,0,1]=4 11724 B13R1.554 CCC(C)C(=O)CNC1CCCC1 960766924cfe78717f2a5f653585cd87 [0,1,0,1,0,0|2,0,0]=4 11725 B13R1.554 CCC(C)C(=O)COC1CCCC1 ce887ba68a43a168952e010573b65f7a [0,1,0,1,0,0|2,0,0]=4 11726 B13R1.554 CCC(C)C(C)OCC1CCCC1 d2f974285d6cec4b795e8b98ee8ce6c5 [0,1,0,1,0,0|1,0,1]=4 11727 B13R1.554 CCC(O)C(=O)NCC1CCCC1 d1991070386422ec1584705c382d1893 [0,1,0,1,0,0|1,0,0]=3 11728 B13R1.554 CCC(O)C(=O)NCC1CCCO1 c552ccdd35fb898e24831836f6e6f767 [0,1,0,1,0,0|2,0,0]=4 11729 B13R1.554 CCC(O)C(=O)NCC1CCOC1 e1fec04185207ac86a0f7ee00d6bc4c8 [0,1,0,1,0,0|2,0,0]=4 11730 B13R1.554 CCC(O)C(=O)NC[C@@H]1CCCO1 5f1194d8b8bbf9f2fe6a9e8ed621830c [0,1,0,1,0,0|2,0,0]=4 11731 B13R1.554 CCC(O)C(=O)NC[C@@H]1CCOC1 d5ce3a9ec99a12b828530bcc6aa552a8 [0,1,0,1,0,0|2,0,0]=4 11732 B13R1.554 CCC(O)C(=O)NC[C@H]1CCCO1 1ad123ae8514f752ff512989f679a04a [0,1,0,1,0,0|2,0,0]=4 11733 B13R1.554 CCC(O)C(=O)NC[C@H]1CCOC1 93a80c84b5afa4a3e7693e4291a9b7b0 [0,1,0,1,0,0|2,0,0]=4 11734 B13R1.554 CCN(C)C(=O)CCC1CCCC1 6a5b8441d256dedf79c45cd248f3d846 [0,1,0,1,0,0|2,0,0]=4 11735 B13R1.554 CCN(C)C(=O)NCC1CCCC1 944d6b7d538b08c71d0c0987ee8788ae [0,1,0,1,0,0|2,0,0]=4 11736 B13R1.554 CC[C@@H](O)C(=O)NCC1CCCC1 9bd0b4591ab5f7dc6567f0603f4ec488 [0,1,0,1,0,0|1,0,0]=3 11737 B13R1.554 CC[C@@H](O)C(=O)NCC1CCCO1 1c033d85e07974bec1b7fec1ec3af012 [0,1,0,1,0,0|2,0,0]=4 11738 B13R1.554 CC[C@@H](O)C(=O)NCC1CCOC1 c42bbf9997ce606d2046856afa176b0d [0,1,0,1,0,0|2,0,0]=4 11739 B13R1.554 CC[C@@H](O)C(=O)NC[C@@H]1CCCO1 424eaad96be0de4d7090d7160d7426d4 [0,1,0,1,0,0|2,0,0]=4 11740 B13R1.554 CC[C@@H](O)C(=O)NC[C@@H]1CCOC1 c9323b2b5df35294ddc9af4e890aa1fa [0,1,0,1,0,0|2,0,0]=4 11741 B13R1.554 CC[C@@H](O)C(=O)NC[C@H]1CCCO1 7128526b8b1bf4854c725c9ed1afcdfb [0,1,0,1,0,0|2,0,0]=4 11742 B13R1.554 CC[C@@H](O)C(=O)NC[C@H]1CCOC1 5aa9450831eaeea21c7af47baf50f4d8 [0,1,0,1,0,0|2,0,0]=4 11743 B13R1.554 CC[C@H](O)C(=O)NCC1CCCC1 3a3616ea96813dff4d1e6c9cdba37727 [0,1,0,1,0,0|1,0,0]=3 11744 B13R1.554 CC[C@H](O)C(=O)NCC1CCCO1 55261f7f0552c943269ee92303a485a9 [0,1,0,1,0,0|2,0,0]=4 11745 B13R1.554 CC[C@H](O)C(=O)NCC1CCOC1 ff14468546fb1702e40e5d6a71bada66 [0,1,0,1,0,0|2,0,0]=4 11746 B13R1.554 CC[C@H](O)C(=O)NC[C@@H]1CCCO1 01e720785e2e89b44ed03890d36767d3 [0,1,0,1,0,0|2,0,0]=4 11747 B13R1.554 CC[C@H](O)C(=O)NC[C@@H]1CCOC1 ec9c4ef2a2c1f2bbcac2ad11a28f5306 [0,1,0,1,0,0|2,0,0]=4 11748 B13R1.554 CC[C@H](O)C(=O)NC[C@H]1CCCO1 b28fcdae1ecbc830040b29ce6fea0ef6 [0,1,0,1,0,0|2,0,0]=4 11749 B13R1.554 CC[C@H](O)C(=O)NC[C@H]1CCOC1 7e23a5d6d63745416caf7bf7734bbec6 [0,1,0,1,0,0|2,0,0]=4 11750 B13R1.554 CC[C@H](S)C(=O)NCC1CCCC1 7990511cd5e8ce5938e0d2f4fd98e1dd [0,1,0,1,0,0|1,0,0]=3 11751 B13R1.554 CC[C@H](S)C(=O)NCC1CCCO1 a90208d06d9fda6c27a17da02a4834a5 [0,1,0,1,0,0|2,0,0]=4 11752 B13R1.554 CC[C@H](S)C(=O)NCC1CCOC1 1298c3be5a4516e23b3c6bb8ff330c91 [0,1,0,1,0,0|2,0,0]=4 11753 B13R1.554 CC[C@H](S)C(=O)NC[C@@H]1CCCO1 a3809cff041344761a6ee834f85dc18b [0,1,0,1,0,0|2,0,0]=4 11754 B13R1.554 CC[C@H](S)C(=O)NC[C@@H]1CCOC1 ee600d6c20f17d77cb081b7f6088bd2b [0,1,0,1,0,0|2,0,0]=4 11755 B13R1.554 CC[C@H](S)C(=O)NC[C@H]1CCCO1 11acc0ae2994005fda255a7c4724469e [0,1,0,1,0,0|2,0,0]=4 11756 B13R1.554 CC[C@H](S)C(=O)NC[C@H]1CCOC1 654988ce1a707b5b2687eda03a393fd5 [0,1,0,1,0,0|2,0,0]=4 11757 B13R1.554 COC(C)C(=O)NCC1CCCC1 5c5dab599a262bf54b37043b5311c60d [0,1,0,1,0,0|2,0,0]=4 11758 B13R1.554 CO[C@@H](C)C(=O)NCC1CCCC1 4298b25d9e7064444349f5631aae83e9 [0,1,0,1,0,0|2,0,0]=4 11759 B13R1.554 CO[C@H](C)C(=O)NCC1CCCC1 648cb0090b2ca8dc391390e22ea49c7b [0,1,0,1,0,0|2,0,0]=4 11760 B13R1.554 CSC(C)C(=O)NCC1CCCC1 7c8110640703b555997d8a06b2ca85c7 [0,1,0,1,0,0|2,0,0]=4 11761 B13R1.554 O=C(NCC1CCCC1)C(O)CO ce81b80b7c28fe73758737b27b233546 [0,1,0,1,0,0|2,0,0]=4 11762 B13R1.554 O=C(NCC1CCCC1)[C@@H](O)CO 9452febff58a9ebd84eb2b20c2092c08 [0,1,0,1,0,0|2,0,0]=4 11763 B13R1.554 O=C(NCC1CCCC1)[C@H](O)CF 9394e43253f820138423d1402bf4ad24 [0,1,0,1,0,0|2,0,0]=4 11764 B13R1.607 CCC(C)C(=O)CN1CCC1CC d78d21828ae711304fef5b870fd59111 [0,1,0,1,0,0|2,0,0]=4 11765 B13R1.607 CCC(O)C(=O)NC1CCC1OC a9ada5deef0b8322a5c1bb9b9d10e8c5 [0,1,0,1,0,0|2,0,0]=4 11766 B13R1.607 CCC(O)C(=O)N[C@@H]1CC[C@@H]1OC 9d8fcc260d4a36c22449792a549c00af [0,1,0,1,0,0|2,0,0]=4 11767 B13R1.607 CCC(O)C(=O)N[C@@H]1CC[C@H]1OC e057dd563340a7ae1e01cf84799b443d [0,1,0,1,0,0|2,0,0]=4 11768 B13R1.607 CCC(O)C(=O)N[C@H]1CC[C@@H]1OC 60629e0b545eef47334632dce37d3320 [0,1,0,1,0,0|2,0,0]=4 11769 B13R1.607 CCC(O)C(=O)N[C@H]1CC[C@H]1OC 04ee252dd2a18b4dc9948d69d8a3255d [0,1,0,1,0,0|2,0,0]=4 11770 B13R1.607 CC[C@@H](O)C(=O)NC1CCC1OC a9b2403c9b210a87086e4826050b8972 [0,1,0,1,0,0|2,0,0]=4 11771 B13R1.607 CC[C@@H](O)C(=O)N[C@@H]1CC[C@@H]1OC 6649aec49451170c0d909bcd7b24ef77 [0,1,0,1,0,0|2,0,0]=4 11772 B13R1.607 CC[C@@H](O)C(=O)N[C@@H]1CC[C@H]1OC e680c433c12178738f8689310b480b75 [0,1,0,1,0,0|2,0,0]=4 11773 B13R1.607 CC[C@@H](O)C(=O)N[C@H]1CC[C@@H]1OC a7eb16ccf1433685c85a4f84d313886b [0,1,0,1,0,0|2,0,0]=4 11774 B13R1.607 CC[C@@H](O)C(=O)N[C@H]1CC[C@H]1OC dad2009eee84bb1d3c469bcfb9f0d81a [0,1,0,1,0,0|2,0,0]=4 11775 B13R1.607 CC[C@H](O)C(=O)NC1CCC1OC 641637ae56567f5d7db58d9b60f92e1b [0,1,0,1,0,0|2,0,0]=4 11776 B13R1.607 CC[C@H](O)C(=O)N[C@@H]1CC[C@@H]1OC fea10775752a692e5fc4ac5c79dd107f [0,1,0,1,0,0|2,0,0]=4 11777 B13R1.607 CC[C@H](O)C(=O)N[C@@H]1CC[C@H]1OC 61323a02713af225ad3f75f6ea5a5612 [0,1,0,1,0,0|2,0,0]=4 11778 B13R1.607 CC[C@H](O)C(=O)N[C@H]1CC[C@@H]1OC 6948aeca749465505ee17bd9f1aea405 [0,1,0,1,0,0|2,0,0]=4 11779 B13R1.607 CC[C@H](O)C(=O)N[C@H]1CC[C@H]1OC 75ab14665ef513190bbcaaa43bc77cd1 [0,1,0,1,0,0|2,0,0]=4 11780 B13R1.607 CC[C@H](S)C(=O)NC1CCC1OC 7f0af2f12723894e3b554837321c0f1f [0,1,0,1,0,0|2,0,0]=4 11781 B13R1.607 CC[C@H](S)C(=O)N[C@@H]1CC[C@@H]1OC 3d44bfb0a7dd841e736cc10b7e23178a [0,1,0,1,0,0|2,0,0]=4 11782 B13R1.607 CC[C@H](S)C(=O)N[C@@H]1CC[C@H]1OC 4fea2637cc822b01e5753b610c0dc279 [0,1,0,1,0,0|2,0,0]=4 11783 B13R1.607 CC[C@H](S)C(=O)N[C@H]1CC[C@@H]1OC 4d764d7890f5d802d809cf8d0fa2d104 [0,1,0,1,0,0|2,0,0]=4 11784 B13R1.607 CC[C@H](S)C(=O)N[C@H]1CC[C@H]1OC d2ccd47a49de1f58bd4dfe095a72ac4c [0,1,0,1,0,0|2,0,0]=4 11785 B13R1.627 CCC(O)C(=O)NCC1CC1CO bc5d3bfa24541b2f006afca0930dc2d3 [0,1,0,1,0,0|2,0,0]=4 11786 B13R1.627 CC[C@@H](O)C(=O)NCC1CC1CO 60769db676052e207289a80117c4dd8b [0,1,0,1,0,0|2,0,0]=4 11787 B13R1.627 CC[C@H](O)C(=O)NCC1CC1CO bf3d43e12257ff4ed094d30fa186da58 [0,1,0,1,0,0|2,0,0]=4 11788 B13R1.627 CC[C@H](S)C(=O)NCC1CC1CO a96386bc57ec0f092d4996082cba9225 [0,1,0,1,0,0|2,0,0]=4 11789 B13R1.696 C=C(CC)C(=O)N1CCCCC1C 12ab1af76d4830988a5c39792d6b9b0f [0,1,0,1,0,0|1,0,1]=4 11790 B13R1.696 C=C(CC)C(=O)N1CCCC[C@@H]1C 30a21484da4490fd71fea6df06cdab9a [0,1,0,1,0,0|1,0,1]=4 11791 B13R1.696 C=C(CC)C(=O)N1CCCC[C@H]1C 4d49dff7d03a99caf91c37d243faecc2 [0,1,0,1,0,0|1,0,1]=4 11792 B13R1.696 CC1CCCCN1C(=O)C(O)CO ebe00b83807d06d66dc956fb4201c56b [0,1,0,1,0,0|2,0,0]=4 11793 B13R1.696 CC1CCCCN1C(=O)[C@@H](O)CO 236b564303606707208ad384e00e784b [0,1,0,1,0,0|2,0,0]=4 11794 B13R1.696 CC1CCCCN1C(=O)[C@H](O)CF 8cf68b543291af1526c7e68acb014ed7 [0,1,0,1,0,0|2,0,0]=4 11795 B13R1.696 CCC(=O)C(=O)N1CCCCC1C 3888e204a2b373aeb9f4a7671a7a466a [0,1,0,1,0,0|1,0,1]=4 11796 B13R1.696 CCC(=O)C(=O)N1CCCC[C@@H]1C 3729dd4350fed49feb41cdd26893f075 [0,1,0,1,0,0|1,0,1]=4 11797 B13R1.696 CCC(=O)C(=O)N1CCCC[C@H]1C 0e179d2558b625e45e9281a1c8a54c27 [0,1,0,1,0,0|1,0,1]=4 11798 B13R1.696 CCC(O)C(=O)N1CCCCC1C 7092e643d74be9f8080f8c68d0fdf1c0 [0,1,0,1,0,0|1,0,0]=3 11799 B13R1.696 CCC(O)C(=O)N1CCCC[C@@H]1C 2c1c85137f2a7c2b72e41478a766825e [0,1,0,1,0,0|1,0,0]=3 11800 B13R1.696 CCC(O)C(=O)N1CCCC[C@H]1C bb10076c8815f5076b6d984a819bbafd [0,1,0,1,0,0|1,0,0]=3 11801 B13R1.696 CC[C@@H](O)C(=O)N1CCCCC1C 819ac6ff96217959df5467e90e2019e7 [0,1,0,1,0,0|1,0,0]=3 11802 B13R1.696 CC[C@@H](O)C(=O)N1CCCC[C@@H]1C c16a4d062fe6bb06c574c6b08a23f806 [0,1,0,1,0,0|1,0,0]=3 11803 B13R1.696 CC[C@@H](O)C(=O)N1CCCC[C@H]1C 07d9c82247d84a3d1195869abe387e6f [0,1,0,1,0,0|1,0,0]=3 11804 B13R1.696 CC[C@H](O)C(=O)N1CCCCC1C d7ec23f4eca9098a050b33234c8b208e [0,1,0,1,0,0|1,0,0]=3 11805 B13R1.696 CC[C@H](O)C(=O)N1CCCC[C@@H]1C 209c4762335b8d5e36b13f633c2ce768 [0,1,0,1,0,0|1,0,0]=3 11806 B13R1.696 CC[C@H](O)C(=O)N1CCCC[C@H]1C b062275428d9fefecbdd38e371ca70e5 [0,1,0,1,0,0|1,0,0]=3 11807 B13R1.696 CC[C@H](S)C(=O)N1CCCCC1C b014b5f34e4ed876daecb10f9aa2339e [0,1,0,1,0,0|1,0,0]=3 11808 B13R1.696 CC[C@H](S)C(=O)N1CCCC[C@@H]1C 7e188e25a2aa3c0e21542794ba989779 [0,1,0,1,0,0|1,0,0]=3 11809 B13R1.696 CC[C@H](S)C(=O)N1CCCC[C@H]1C 531fd9774be8148f9aa00854a5c6b7ad [0,1,0,1,0,0|1,0,0]=3 11810 B13R1.696 CC[C@H](S)C(=O)N1CCOCC1C 39bf88e644fd36155f2d7c24dc8b6735 [0,1,0,1,0,0|2,0,0]=4 11811 B13R1.696 CC[C@H](S)C(=O)N1CCOC[C@@H]1C 2ae24bd8436fb7631ca55fcaffa89d73 [0,1,0,1,0,0|2,0,0]=4 11812 B13R1.696 CC[C@H](S)C(=O)N1CCOC[C@H]1C d0bf5772505bf77546a3aeb5ec02e838 [0,1,0,1,0,0|2,0,0]=4 11813 B13R1.696 COC(C)C(=O)N1CCCCC1C 0980326e616cbea3d7deea3d8eaa52e4 [0,1,0,1,0,0|2,0,0]=4 11814 B13R1.696 COC(C)C(=O)N1CCCC[C@@H]1C 31abf8c4c443b411a37d120f297cae21 [0,1,0,1,0,0|2,0,0]=4 11815 B13R1.696 COC(C)C(=O)N1CCCC[C@H]1C b78c3efd1cb7463f0e54cfb6084f00ea [0,1,0,1,0,0|2,0,0]=4 11816 B13R1.696 CO[C@@H](C)C(=O)N1CCCCC1C 192e4f5effaa559c2b37cf37a28f4029 [0,1,0,1,0,0|2,0,0]=4 11817 B13R1.696 CO[C@@H](C)C(=O)N1CCCC[C@@H]1C 874df29d62c8bd3156728f2bffb0d253 [0,1,0,1,0,0|2,0,0]=4 11818 B13R1.696 CO[C@@H](C)C(=O)N1CCCC[C@H]1C 3af63544df86945771dd8b54cf29e8cd [0,1,0,1,0,0|2,0,0]=4 11819 B13R1.696 CO[C@H](C)C(=O)N1CCCCC1C 72fc3b305335f4e208ece90e7eeaaf92 [0,1,0,1,0,0|2,0,0]=4 11820 B13R1.696 CO[C@H](C)C(=O)N1CCCC[C@@H]1C db9aae24fd8a4b4bd589d9c8e8596b74 [0,1,0,1,0,0|2,0,0]=4 11821 B13R1.696 CO[C@H](C)C(=O)N1CCCC[C@H]1C 67dd976b4db5aabdbe3bdf69ca6963d6 [0,1,0,1,0,0|2,0,0]=4 11822 B13R1.696 CSC(C)C(=O)N1CCCCC1C 97c0cfdd712b50b6f8d2ae01a7ff6b99 [0,1,0,1,0,0|2,0,0]=4 11823 B13R1.696 CSC(C)C(=O)N1CCCC[C@@H]1C 85e349bc9d8d61ecd051b180ed7cddae [0,1,0,1,0,0|2,0,0]=4 11824 B13R1.696 CSC(C)C(=O)N1CCCC[C@H]1C 708e1d3f7fad37e279b18b636fb0488d [0,1,0,1,0,0|2,0,0]=4 11825 B13R1.696 C[C@@H]1CCCCN1C(=O)C(O)CO 8f67405fb3319b11af765b9805e134c0 [0,1,0,1,0,0|2,0,0]=4 11826 B13R1.696 C[C@@H]1CCCCN1C(=O)[C@@H](O)CO 742894ba68888ae68ff80e63c94de547 [0,1,0,1,0,0|2,0,0]=4 11827 B13R1.696 C[C@@H]1CCCCN1C(=O)[C@H](O)CF 03acc3282acc825c5b8834057dda13c3 [0,1,0,1,0,0|2,0,0]=4 11828 B13R1.696 C[C@H]1CCCCN1C(=O)C(O)CO 0c1523992ec762e383ae076e64f72d37 [0,1,0,1,0,0|2,0,0]=4 11829 B13R1.696 C[C@H]1CCCCN1C(=O)[C@@H](O)CO 1be2464b1864702471e4400dc55120c4 [0,1,0,1,0,0|2,0,0]=4 11830 B13R1.696 C[C@H]1CCCCN1C(=O)[C@H](O)CF 28e77cbe6cba7ce20df494ba93c2d723 [0,1,0,1,0,0|2,0,0]=4 11831 B13R1.697 CCC(C)C(=O)CNCCC1CC1 99ca1de5df6ad2b057b186e0c2e78064 [0,1,0,1,0,0|2,0,0]=4 11832 B13R1.697 CCC(C)C(=O)COCCC1CC1 ae1051167ce3f7d0c8c0b78783924f21 [0,1,0,1,0,0|2,0,0]=4 11833 B13R1.697 CCC(O)C(=O)NCCOC1CC1 b5884385d089793a9077f75bf2d35e3d [0,1,0,1,0,0|2,0,0]=4 11834 B13R1.697 CCN(C)C(=O)CCCCC1CC1 97c1158b5ce8d8abf02cdd0df722de24 [0,1,0,1,0,0|2,0,0]=4 11835 B13R1.697 CC[C@@H](O)C(=O)NCCOC1CC1 957091b3dc5f0e257e28e51e2664f07e [0,1,0,1,0,0|2,0,0]=4 11836 B13R1.697 CC[C@H](O)C(=O)NCCOC1CC1 56816ea7eaed489ac8f982d04a82dde6 [0,1,0,1,0,0|2,0,0]=4 11837 B13R1.697 CC[C@H](S)C(=O)NCCOC1CC1 81f980550984b9b5c7b67fad9bbfca9e [0,1,0,1,0,0|2,0,0]=4 11838 B13R1.698 CCC(C)C(=O)CN[C@@H]1CC[C@H]1C 04e72017b6744b9044ebd4c44af7917f [0,1,0,1,0,0|2,0,0]=4 11839 B13R1.698 CCC(C)C(=O)CN[C@H]1CC[C@H]1C 285dcfb53b298306961459e9252d6043 [0,1,0,1,0,0|2,0,0]=4 11840 B13R1.698 CCC(O)C(=O)NCC1CCN1C dc2968464a69f33399da205afb3dd3c6 [0,1,0,1,0,0|2,0,0]=4 11841 B13R1.698 CC[C@@H](O)C(=O)NCC1CCN1C 9f8585583b06b58fdabfa73ad7809ce2 [0,1,0,1,0,0|2,0,0]=4 11842 B13R1.698 CC[C@H](O)C(=O)NCC1CCN1C c6ffb611df02627ea91cbe3c923a57e3 [0,1,0,1,0,0|2,0,0]=4 11843 B13R1.698 CC[C@H](S)C(=O)NCC1CCN1C f625aa29d0cb332e0f37565d4a1f6e39 [0,1,0,1,0,0|2,0,0]=4 11844 B13R1.702 C=C(CC)C(=O)NCCC1CCC1 068780052c78682d1505340ce1a7430b [0,1,0,1,0,0|1,0,1]=4 11845 B13R1.702 CCC(=O)C(=O)NCCC1CCC1 7a3f80610e08d2a1e882f645987f0978 [0,1,0,1,0,0|1,0,1]=4 11846 B13R1.702 CCC(C)C(=O)CNCC1CCC1 e5b6db1a29a411d87a5b5a3b331238f2 [0,1,0,1,0,0|2,0,0]=4 11847 B13R1.702 CCC(C)C(=O)COCC1CCC1 64ead9ff065d9e1db86a0cd8e47ec066 [0,1,0,1,0,0|2,0,0]=4 11848 B13R1.702 CCC(C)C(C)OCCC1CCC1 3ec9f19c72e28b6d2830eb96fe1ac5f3 [0,1,0,1,0,0|1,0,1]=4 11849 B13R1.702 CCC(O)C(=O)NCCC1CCC1 502c29de3d227c81809527837a1bc9c3 [0,1,0,1,0,0|1,0,0]=3 11850 B13R1.702 CCC(O)C(=O)NCCC1CCO1 2baa73e00873ac52adeac0be245e07b7 [0,1,0,1,0,0|2,0,0]=4 11851 B13R1.702 CCC(O)C(=O)NCCC1COC1 f98bea740301538ba5b73758edd4e705 [0,1,0,1,0,0|2,0,0]=4 11852 B13R1.702 CCC(O)C(=O)NCCN1CCC1 b420db850ba2e4fd7222abd4bc1a7414 [0,1,0,1,0,0|2,0,0]=4 11853 B13R1.702 CCC(O)C(=O)NCC[C@@H]1CCO1 ca65da26a518de3a33e37b2cc748054d [0,1,0,1,0,0|2,0,0]=4 11854 B13R1.702 CCN(C)C(=O)NCCC1CCC1 75f3567931bf7c4884d496ede33168ae [0,1,0,1,0,0|2,0,0]=4 11855 B13R1.702 CC[C@@H](O)C(=O)NCCC1CCC1 077c6f91374f9297bb09e481995f4dfb [0,1,0,1,0,0|1,0,0]=3 11856 B13R1.702 CC[C@@H](O)C(=O)NCCC1CCO1 b6e92f26add06816550c7dad56d9c22b [0,1,0,1,0,0|2,0,0]=4 11857 B13R1.702 CC[C@@H](O)C(=O)NCCC1COC1 e61038605c4ba8df5f8d85a7e82edcca [0,1,0,1,0,0|2,0,0]=4 11858 B13R1.702 CC[C@@H](O)C(=O)NCCN1CCC1 c15c533705f91324fb15ce2d417b9493 [0,1,0,1,0,0|2,0,0]=4 11859 B13R1.702 CC[C@@H](O)C(=O)NCC[C@@H]1CCO1 0557ff51c5d057e775bddb72b20ad780 [0,1,0,1,0,0|2,0,0]=4 11860 B13R1.702 CC[C@H](O)C(=O)NCCC1CCC1 c26c7a4fe5a7b86951bafe3ecf2e48a5 [0,1,0,1,0,0|1,0,0]=3 11861 B13R1.702 CC[C@H](O)C(=O)NCCC1CCO1 dc4de1c7b02e49871cfe57f7c4dbfefe [0,1,0,1,0,0|2,0,0]=4 11862 B13R1.702 CC[C@H](O)C(=O)NCCC1COC1 8405e34be18cdc66cf3ce6d61bca9631 [0,1,0,1,0,0|2,0,0]=4 11863 B13R1.702 CC[C@H](O)C(=O)NCCN1CCC1 66e3cc67ced797e3196c72d83847687c [0,1,0,1,0,0|2,0,0]=4 11864 B13R1.702 CC[C@H](O)C(=O)NCC[C@@H]1CCO1 29d1f0412b30abe37ee1842391ffce37 [0,1,0,1,0,0|2,0,0]=4 11865 B13R1.702 CC[C@H](S)C(=O)NCCC1CCC1 fb5a696010ad1baf87e765edb53785f1 [0,1,0,1,0,0|1,0,0]=3 11866 B13R1.702 CC[C@H](S)C(=O)NCCC1CCO1 94693a499774dbd6af7b2ccc6de09a16 [0,1,0,1,0,0|2,0,0]=4 11867 B13R1.702 CC[C@H](S)C(=O)NCCC1COC1 ee7ea2722cfda63a89f5452f873705e0 [0,1,0,1,0,0|2,0,0]=4 11868 B13R1.702 CC[C@H](S)C(=O)NCCN1CCC1 ef7ef786b4d9755ba7440314f20b62aa [0,1,0,1,0,0|2,0,0]=4 11869 B13R1.702 CC[C@H](S)C(=O)NCC[C@@H]1CCO1 22a5e3ccdbdf570c4cdcdad6e6152737 [0,1,0,1,0,0|2,0,0]=4 11870 B13R1.702 COC(C)C(=O)NCCC1CCC1 1b7219b71593e2220a0c708c68f091ba [0,1,0,1,0,0|2,0,0]=4 11871 B13R1.702 CO[C@@H](C)C(=O)NCCC1CCC1 020d7b3fb5634b1e77cf1950dbc4e07d [0,1,0,1,0,0|2,0,0]=4 11872 B13R1.702 CO[C@H](C)C(=O)NCCC1CCC1 3191bc6160a84c2523ccc07bb8e49854 [0,1,0,1,0,0|2,0,0]=4 11873 B13R1.702 CSC(C)C(=O)NCCC1CCC1 f3457df4aadc4a91e70af050c0e12550 [0,1,0,1,0,0|2,0,0]=4 11874 B13R1.702 O=C(NCCC1CCC1)C(O)CO 91c7d693f6afaab7245b373bff8c67ac [0,1,0,1,0,0|2,0,0]=4 11875 B13R1.702 O=C(NCCC1CCC1)[C@@H](O)CO 1ab7fd11d70d1fea661af3f6aab84837 [0,1,0,1,0,0|2,0,0]=4 11876 B13R1.702 O=C(NCCC1CCC1)[C@H](O)CF 7d009481ffe93e6c127f5cfef802e28c [0,1,0,1,0,0|2,0,0]=4 11877 B13R1.704 CCC(C)C(=O)CN1CCCC1C 83115e166be0456ab345d5f31519f385 [0,1,0,1,0,0|2,0,0]=4 11878 B13R1.704 CCC(C)C(=O)CN1CCC[C@@H]1C a6d3a3e091898023c0ddd5c162cec1ae [0,1,0,1,0,0|2,0,0]=4 11879 B13R1.704 CCC(C)C(=O)CN1CCC[C@H]1C b247c2ce73dc181905f6b033478a81b0 [0,1,0,1,0,0|2,0,0]=4 11880 B13R1.704 CCC(O)C(=O)NC1CCCC1O 063cbe10a9013cec873488ae738122ca [0,1,0,1,0,0|2,0,0]=4 11881 B13R1.704 CCC(O)C(=O)N[C@@H]1CCC[C@@H]1O 54d9d19fd091bd4b0925be44fbc269fd [0,1,0,1,0,0|2,0,0]=4 11882 B13R1.704 CCC(O)C(=O)N[C@@H]1CCC[C@H]1O 842c17724e4f287ae9ef41f28a9d60c9 [0,1,0,1,0,0|2,0,0]=4 11883 B13R1.704 CCC(O)C(=O)N[C@H]1CCC[C@@H]1O 8036c5315c174098e418e5f48520e82e [0,1,0,1,0,0|2,0,0]=4 11884 B13R1.704 CCC(O)C(=O)N[C@H]1CCC[C@H]1O 2b88dfe779668dfd45e83afe6b244fe1 [0,1,0,1,0,0|2,0,0]=4 11885 B13R1.704 CC[C@@H](O)C(=O)NC1CCCC1O 506912bf8101c83a783f2ca2c6da07f6 [0,1,0,1,0,0|2,0,0]=4 11886 B13R1.704 CC[C@@H](O)C(=O)N[C@@H]1CCC[C@@H]1O 22b378e05b23f491d8be291e860aaa51 [0,1,0,1,0,0|2,0,0]=4 11887 B13R1.704 CC[C@@H](O)C(=O)N[C@@H]1CCC[C@H]1O 28c94fa4574a02780d2acf7fbac94740 [0,1,0,1,0,0|2,0,0]=4 11888 B13R1.704 CC[C@@H](O)C(=O)N[C@H]1CCC[C@@H]1O 283251f535a963f84d9ad3bee8521e3b [0,1,0,1,0,0|2,0,0]=4 11889 B13R1.704 CC[C@@H](O)C(=O)N[C@H]1CCC[C@H]1O c1c0f6c23d342bc820224de39bebf3de [0,1,0,1,0,0|2,0,0]=4 11890 B13R1.704 CC[C@H](O)C(=O)NC1CCCC1O cdf84f98daa6a22560e8475e017d6ea9 [0,1,0,1,0,0|2,0,0]=4 11891 B13R1.704 CC[C@H](O)C(=O)N[C@@H]1CCC[C@@H]1O d3fd6ec4a6bf4a92c135c5600db38d0d [0,1,0,1,0,0|2,0,0]=4 11892 B13R1.704 CC[C@H](O)C(=O)N[C@@H]1CCC[C@H]1O 8c9b9c472d55aa2234b8ff13336abf5b [0,1,0,1,0,0|2,0,0]=4 11893 B13R1.704 CC[C@H](O)C(=O)N[C@H]1CCC[C@@H]1O ca973f5079b1ae7095bc98755dc0c4bb [0,1,0,1,0,0|2,0,0]=4 11894 B13R1.704 CC[C@H](O)C(=O)N[C@H]1CCC[C@H]1O 7265e5513b66040d7e430013f93d8dbc [0,1,0,1,0,0|2,0,0]=4 11895 B13R1.704 CC[C@H](S)C(=O)NC1CCCC1O 92ed49155faaa419b9b3db0da1056cf4 [0,1,0,1,0,0|2,0,0]=4 11896 B13R1.704 CC[C@H](S)C(=O)N[C@@H]1CCC[C@@H]1O 2f23e5a78720396543567ac3ccbebfe0 [0,1,0,1,0,0|2,0,0]=4 11897 B13R1.704 CC[C@H](S)C(=O)N[C@@H]1CCC[C@H]1O e3d49456c8f538d15217da693ebc41c8 [0,1,0,1,0,0|2,0,0]=4 11898 B13R1.704 CC[C@H](S)C(=O)N[C@H]1CCC[C@@H]1O f86d1296b6b90a0d03f75be27ac62cbe [0,1,0,1,0,0|2,0,0]=4 11899 B13R1.704 CC[C@H](S)C(=O)N[C@H]1CCC[C@H]1O 97a7cf226b9f5c851e2a494c9ac6d452 [0,1,0,1,0,0|2,0,0]=4 11900 B13R1.1878 CCC(C)C(=O)COCC1CC1C 4a55aff74e22a8f35dd3580c33c5679d [0,1,0,1,0,0|2,0,0]=4 11901 B13R1.1878 CCC(C)C(=O)COC[C@@H]1C[C@@H]1C e2e4501cacedc7c1d31b3913f230924f [0,1,0,1,0,0|2,0,0]=4 11902 B13R1.1878 CCC(C)C(=O)COC[C@@H]1C[C@H]1C 80d4e8052f298063bd3436ea03ac340f [0,1,0,1,0,0|2,0,0]=4 11903 B13R1.1878 CCC(C)C(=O)COC[C@H]1C[C@@H]1C 7505283dcf23f360350003515e88df43 [0,1,0,1,0,0|2,0,0]=4 11904 B13R1.2620 C=C(CC)C(=O)N1CCCCCC1 a494bd3ffa2eef86e8622fef7df98929 [0,1,0,1,0,0|1,0,1]=4 11905 B13R1.2620 CCC(=O)C(=O)N1CCCCCC1 64fba9945f9ddaf389ae94f8b814919e [0,1,0,1,0,0|1,0,1]=4 11906 B13R1.2620 CCC(O)C(=O)N1CCCCCC1 3644bbcfb1393b628d57505385e47fff [0,1,0,1,0,0|1,0,0]=3 11907 B13R1.2620 CCC(O)C(=O)N1CCCOCC1 8eb561223483444e12f08fdda4b2f0a9 [0,1,0,1,0,0|2,0,0]=4 11908 B13R1.2620 CC[C@@H](O)C(=O)N1CCCCCC1 97ca0d3744811a53940daa2ab598f97a [0,1,0,1,0,0|1,0,0]=3 11909 B13R1.2620 CC[C@@H](O)C(=O)N1CCCOCC1 03dc7158940154dbe5e6f441ff8afe03 [0,1,0,1,0,0|2,0,0]=4 11910 B13R1.2620 CC[C@H](O)C(=O)N1CCCCCC1 e1cb939f798d09b070175bcd4693d2b9 [0,1,0,1,0,0|1,0,0]=3 11911 B13R1.2620 CC[C@H](O)C(=O)N1CCCOCC1 6a459f5517ef4c17c60d8e12c6010683 [0,1,0,1,0,0|2,0,0]=4 11912 B13R1.2620 CC[C@H](S)C(=O)N1CCCCCC1 d967566792b1da8a07cc1ac29ccf74fa [0,1,0,1,0,0|1,0,0]=3 11913 B13R1.2620 CC[C@H](S)C(=O)N1CCCOCC1 23a91904c2182ac0b5a78b9ce71dabaa [0,1,0,1,0,0|2,0,0]=4 11914 B13R1.2620 COC(C)C(=O)N1CCCCCC1 f3b44764856857358626a41475f6c3f6 [0,1,0,1,0,0|2,0,0]=4 11915 B13R1.2620 CO[C@@H](C)C(=O)N1CCCCCC1 12e690226d95a4778400650b399ad7f2 [0,1,0,1,0,0|2,0,0]=4 11916 B13R1.2620 CO[C@H](C)C(=O)N1CCCCCC1 9da1faf1c453326e5327695f7d4745e3 [0,1,0,1,0,0|2,0,0]=4 11917 B13R1.2620 CSC(C)C(=O)N1CCCCCC1 f7aa6e487f9da688825dff98d2181082 [0,1,0,1,0,0|2,0,0]=4 11918 B13R1.2620 O=C(C(O)CO)N1CCCCCC1 c3091a589a8ad7ad9872723c889334e1 [0,1,0,1,0,0|2,0,0]=4 11919 B13R1.2620 O=C([C@@H](O)CO)N1CCCCCC1 4e1627bdcee1cf5154031e7665be08ea [0,1,0,1,0,0|2,0,0]=4 11920 B13R1.2620 O=C([C@H](O)CF)N1CCCCCC1 7a3075e1746b138655f4e40d2c233a7a [0,1,0,1,0,0|2,0,0]=4 11921 B13R1.3572 CCCCC/C=C/C(=O)N1CCC1 beff23a2973e77611ef7ec83517ae82e [0,1,0,1,0,0|1,0,1]=4 11922 B13R1.3572 CCCCCC#CC(=O)N1CCC1 5b8ef9d4f170473b2c0a867948df2309 [0,1,0,1,0,0|1,0,1]=4 11923 B13R1.3572 CCCCCCCC(=O)N1CCC1 d9ad45351a09074570a27c126a7f8dd3 [0,1,0,1,0,0|1,0,0]=3 11924 B13R1.3572 CCCCCCNC(=O)C1=CCC1 d64e186058ba99def4cb847b38ec3a4e [0,1,0,1,0,0|1,0,1]=4 11925 B13R1.3572 CCCCCCNC(=O)C1CCO1 817c2260f5f53e1e4d72100a8a2a7f39 [0,1,0,1,0,0|1,0,0]=3 11926 B13R1.3572 CCCCCCNC(=O)N1CCC1 b0b2e16af26aede6f723767e64e682d0 [0,1,0,1,0,0|1,0,0]=3 11927 B13R1.3572 CCCCCCNC(=O)[C@@H]1CCO1 dfaf5aa7413d076289ea4e4fc74c3812 [0,1,0,1,0,0|1,0,0]=3 11928 B13R1.3572 CCCCCCNC(=O)[C@H]1CCO1 0bfa6b0949f1d32e3e2d65d51cb97136 [0,1,0,1,0,0|1,0,0]=3 11929 B13R1.3572 CCCCCCNC(=S)N1CCC1 c1d58451ffedd095327fccadf59b44ae [0,1,0,1,0,0|1,1,0]=4 11930 B13R1.3572 CCCCCCOC(C)C1CCC1 9669063757cd890a2363d714e06b75f5 [0,1,0,1,0,0|1,0,1]=4 11931 B13R1.3572 CCCCCCOC(C)C1COC1 85305593263874ec10c47b39263c8472 [0,1,0,1,0,0|1,0,1]=4 11932 B13R1.3572 CCCCCCO[C@@H](C)C1CCC1 0dd5861770efec8975b01eccede34a1c [0,1,0,1,0,0|1,0,1]=4 11933 B13R1.3572 CCCCCCO[C@@H](C)C1COC1 d9a7a6f928f824001d85fb1544d90c65 [0,1,0,1,0,0|1,0,1]=4 11934 B13R1.3572 CCCCCCO[C@H](C)C1COC1 5df34d513df00c6d9667ddcfad8786b6 [0,1,0,1,0,0|1,0,1]=4 11935 B13R1.3572 CCCCCNCC(=O)C1CCC1 f38f1585af24ffbf22612604906a050b [0,1,0,1,0,0|2,0,0]=4 11936 B13R1.3572 CCCCCNCC(=O)N1CCC1 adcb603c6afe2c1ced45119e93b81518 [0,1,0,1,0,0|2,0,0]=4 11937 B13R1.3572 CCCCCOCC(=O)C1CCC1 6feaf6010072f778e9d07b60a0dae676 [0,1,0,1,0,0|2,0,0]=4 11938 B13R1.3572 CCCCCOCC(=O)N1CCC1 e41fb7599f7a5d3bce004c2be672259f [0,1,0,1,0,0|2,0,0]=4 11939 B13R1.3572 CCCCNCCC(=O)N1CCC1 4a168e95bb1c6ac924315d4527ff5fc6 [0,1,0,1,0,0|2,0,0]=4 11940 B13R1.3572 CCCCOCCC(=O)N1CCC1 e5ecf68c4ef14392bf0d6a91b219df29 [0,1,0,1,0,0|2,0,0]=4 11941 B13R1.3572 CCCOCCNC(=O)C1CCO1 45ff57f7146c65945d96c4507aa9c7cd [0,1,0,1,0,0|2,0,0]=4 11942 B13R1.3572 CCCOCCNC(=O)N1CCC1 99830b33172b192a0444eee4b2a14d76 [0,1,0,1,0,0|2,0,0]=4 11943 B13R1.3572 CCCOCCNC(=O)[C@@H]1CCO1 db1b5f92d66c2bfa8b602890ae13416b [0,1,0,1,0,0|2,0,0]=4 11944 B13R1.3572 CCCOCCNC(=O)[C@H]1CCO1 835eb8ef299d16ab59b701e4713954bc [0,1,0,1,0,0|2,0,0]=4 11945 B13R1.3572 CCNCCCNC(=O)C1CCC1 66c3b6e49cb1b01482291e08a5ab7826 [0,1,0,1,0,0|2,0,0]=4 11946 B13R1.3572 CCOCCCCC(=O)N1CCC1 7242af49c22e80f52d206f5287ef5dc6 [0,1,0,1,0,0|2,0,0]=4 11947 B13R1.3572 CCOCCCNC(=O)C1CCO1 c7f84d05e43be8a81e2e302ba37137a6 [0,1,0,1,0,0|2,0,0]=4 11948 B13R1.3572 CCOCCCNC(=O)N1CCC1 957cb6fbbfa82abaa24ffea2aa266510 [0,1,0,1,0,0|2,0,0]=4 11949 B13R1.3572 CCOCCCNC(=O)[C@@H]1CCO1 388935fa81d143dd2ed56fad92320b14 [0,1,0,1,0,0|2,0,0]=4 11950 B13R1.3572 CCOCCCNC(=O)[C@H]1CCO1 414a3bfcf82e52a6ff90214b69d08712 [0,1,0,1,0,0|2,0,0]=4 11951 B13R1.3572 COCCCCCC(=O)N1CCC1 71a9093d10e9d8f96536f808ac056d9b [0,1,0,1,0,0|2,0,0]=4 11952 B13R1.3572 COCCCCNC(=O)C1CCO1 7fe20f6f23aaca7a1b164b01a1907e29 [0,1,0,1,0,0|2,0,0]=4 11953 B13R1.3572 COCCCCNC(=O)N1CCC1 1a5d6b4695454245e4d05a3aa25690c0 [0,1,0,1,0,0|2,0,0]=4 11954 B13R1.3572 COCCCCNC(=O)[C@@H]1CCO1 a4c85fcca8d93ad7e53aeaa76d9a0504 [0,1,0,1,0,0|2,0,0]=4 11955 B13R1.3572 COCCCCNC(=O)[C@H]1CCO1 545793fa23bdf082f201d330c40d66fe [0,1,0,1,0,0|2,0,0]=4 11956 B13R1.3572 CSCCCCNC(=O)C1CCO1 7e2ccef83cdfa1ee179371bf3838620d [0,1,0,1,0,0|2,0,0]=4 11957 B13R1.3572 CSCCCCNC(=O)N1CCC1 6faefd02433a38a20fcf869e02840b05 [0,1,0,1,0,0|2,0,0]=4 11958 B13R1.3572 CSCCCCNC(=O)[C@@H]1CCO1 d02ea9783a5b7eb70cc3c641682ef267 [0,1,0,1,0,0|2,0,0]=4 11959 B13R1.3572 CSCCCCNC(=O)[C@H]1CCO1 aa7f8918e7ab9ecdfe61b65e015a6468 [0,1,0,1,0,0|2,0,0]=4 11960 B13R1.3572 NCCCCCNC(=O)N1CCC1 5ea7cf403c820ebee8b85a93e77d36be [0,1,0,1,0,0|2,0,0]=4 11961 B13R1.3572 O=C(CCCCCCF)N1CCC1 03c6b0ef8be267ea0b02f76c6e14bdf7 [0,1,0,1,0,0|2,0,0]=4 11962 B13R1.3572 O=C(CCCCCCO)N1CCC1 6c9c2adce64e6234eace2431cba716fe [0,1,0,1,0,0|2,0,0]=4 11963 B13R1.3572 O=C(CCCCCCS)N1CCC1 19c1c8dffe2c5b3392d5e58250a56b50 [0,1,0,1,0,0|2,0,0]=4 11964 B13R1.3572 O=C(NCCCCCCl)C1CCO1 ea420494f7a95bad660a4090a44261de [0,1,0,1,0,0|2,0,0]=4 11965 B13R1.3572 O=C(NCCCCCCl)[C@@H]1CCO1 aafacd2be1fb875b524355f2603cf12a [0,1,0,1,0,0|2,0,0]=4 11966 B13R1.3572 O=C(NCCCCCCl)[C@H]1CCO1 e56b7a52d6ab9c18ec82a94a85302509 [0,1,0,1,0,0|2,0,0]=4 11967 B13R1.3572 O=C(NCCCCCO)C1CCO1 4ddcdaea46aad102c64f4a86ea57d8bb [0,1,0,1,0,0|2,0,0]=4 11968 B13R1.3572 O=C(NCCCCCO)N1CCC1 9f12c332c8b95cdf369d8b86173de8cd [0,1,0,1,0,0|2,0,0]=4 11969 B13R1.3572 O=C(NCCCCCO)[C@@H]1CCO1 e6cb12940fdf3cebe861428a5f2f0676 [0,1,0,1,0,0|2,0,0]=4 11970 B13R1.3572 O=C(NCCCCCO)[C@H]1CCO1 138a54a18c297fd3a7181753dadc53c9 [0,1,0,1,0,0|2,0,0]=4 11971 B13R1.3573 CCCCCCOC(C)C1(CC1)C 7264c3dd0379a119a34aa2f6fe754961 [0,1,0,1,0,0|1,0,1]=4 11972 B13R1.3573 CCCCCNCC(=O)C1(CC1)C 9703ab386512cf884e5cf282b8af0b05 [0,1,0,1,0,0|2,0,0]=4 11973 B13R1.3573 CCCCCNCC(=O)C1(CC1)F 8895e0b0b6831405ebbb1a158dae83b3 [0,1,0,1,0,0|2,0,0]=4 11974 B13R1.3573 CCCCCOCC(=O)C1(CC1)C f16ba12b00464959d3bdb0d76f1a8106 [0,1,0,1,0,0|2,0,0]=4 11975 B13R1.3573 CCCCCOCC(=O)C1(CC1)F a318c803477ee0fe0b18cea5b2424d4e [0,1,0,1,0,0|2,0,0]=4 11976 B13R1.4100 CCCN1CCNC(=O)C1(C)CC 7576c9bfb935c015da2fb729e955033a [0,1,0,1,0,0|2,0,0]=4 11977 B13R1.18 CCCCC(C)N1CCCC(=O)C1 1b43743c230032f0da29fbbe0a0c5454 [0,1,0,1,0,0|2,0,0]=4 11978 B13R1.41 CCCC(=O)CNC1CCC(C1)C 8c8a2a87856aa21aab4fccc35fb2ff5c [0,1,0,1,0,0|2,0,0]=4 11979 B13R1.41 CCCC(=O)CNC1CCC(C1)O 9038c2474a0862f87267fe41f2bc59dd [0,1,0,1,0,0|2,0,0]=4 11980 B13R1.41 CCCC(=O)CN[C@@H]1CC[C@@H](C1)O 2e46aacb27525223e4fd634581b20562 [0,1,0,1,0,0|2,0,0]=4 11981 B13R1.41 CCCC(=O)CN[C@@H]1CC[C@H](C1)O 448663a14c81fdde3070ca6cd22fc4b4 [0,1,0,1,0,0|2,0,0]=4 11982 B13R1.41 CCCC(=O)CN[C@H]1CC[C@@H](C1)O 8bcc3c249827dd441a9d978dc28ed895 [0,1,0,1,0,0|2,0,0]=4 11983 B13R1.41 CCCC(=O)CN[C@H]1CC[C@H](C1)O 3e712a82a7da0d7c33da81e8a1c0e4fe [0,1,0,1,0,0|2,0,0]=4 11984 B13R1.41 CCCC(=O)COC1CCC(C1)C 36f83df3f3f7e90cdc3ffa59f13ca6ea [0,1,0,1,0,0|2,0,0]=4 11985 B13R1.41 CCCC(=O)COC1CCC(C1)F deae0836e5dd988535b3cbd001e9d9d2 [0,1,0,1,0,0|2,0,0]=4 11986 B13R1.41 CCCC(=O)NCC1CCC(C1)O 37f851fb85b853d43febb8c34a3c8bda [0,1,0,1,0,0|1,0,0]=3 11987 B13R1.41 CCCC(=O)NCC1CCN(C1)C 1704aea5818066c65983b37c50c30d1e [0,1,0,1,0,0|2,0,0]=4 11988 B13R1.41 CCCC(=O)NC[C@@H]1CCN(C1)C 29eae01c9407d83db62a593b0fa8d693 [0,1,0,1,0,0|2,0,0]=4 11989 B13R1.41 CCCC(=O)NC[C@H]1CCN(C1)C 1fb1ebddd83bd2c8ec62c9b073e0b660 [0,1,0,1,0,0|2,0,0]=4 11990 B13R1.41 CCCC(=O)OCN1CCC(C1)C 4ad345bfb335c6326a8c09354e6427d7 [0,1,0,1,0,0|1,0,0]=3 11991 B13R1.41 CCCC(=O)OCN1CCC(C1)O 6aed6cfb74a692903610afeb40ad85da [0,1,0,1,0,0|1,0,0]=3 11992 B13R1.41 CCCC(=O)OCN1CCN(C1)C ef540481d9a5a6fc7768d019a55b85f4 [0,1,0,1,0,0|2,0,0]=4 11993 B13R1.41 CCCC(=O)OCN1CC[C@@H](C1)O ec584588942e8b7517525d0b5708d755 [0,1,0,1,0,0|1,0,0]=3 11994 B13R1.41 CCCC(=O)OCN1CC[C@H](C1)O b20513f592b7d27bafabf2c66fe6522f [0,1,0,1,0,0|1,0,0]=3 11995 B13R1.41 CCCC(=S)OCC1CCN(C1)C c853a9f60ff1950adbd755d1213639a4 [0,1,0,1,0,0|1,1,0]=4 11996 B13R1.41 CCCC(C)OCC1CCC(C1)C b8d8fbba6097b0e421fd3350098a525d [0,1,0,1,0,0|1,0,1]=4 11997 B13R1.41 CCCC(C)OCC1CCC(C1)F 1cc13d10d736bf806b0a9b9fbfc83234 [0,1,0,1,0,0|1,0,1]=4 11998 B13R1.41 CCCC(C)OCC1CCC(O1)C 5eef478e06e424eea3329f40af83e23f [0,1,0,1,0,0|1,0,1]=4 11999 B13R1.41 CCCC(C)OC[C@@H]1CC[C@@H](O1)C c20dd2c4548fc886a9133d43d16f7943 [0,1,0,1,0,0|1,0,1]=4 12000 B13R1.41 CCCC(C)OC[C@@H]1CC[C@H](C1)F 95d3d5786a865a89c84ac71368c3afe2 [0,1,0,1,0,0|1,0,1]=4 12001 B13R1.41 CCCC(C)OC[C@H]1CC[C@H](C1)F 8326bd8a3acb0e3ea638a114c32b306f [0,1,0,1,0,0|1,0,1]=4 12002 B13R1.41 CCOC(=O)OCN1CCC(C1)C bf58426e664a12555a7c85a02e357b92 [0,1,0,1,0,0|2,0,0]=4 12003 B13R1.41 CCOC(=O)OCN1CCC(C1)F 1342fba706f1f747a87edb7c9957bd95 [0,1,0,1,0,0|2,0,0]=4 12004 B13R1.41 CCOC(=O)OCN1CCC(C1)O 787b428f8a032f5739f1c309762b149f [0,1,0,1,0,0|2,0,0]=4 12005 B13R1.41 CCOC(=O)OCN1CC[C@@H](C1)F 4e707dfe9df557ad4fcb6710ca314e02 [0,1,0,1,0,0|2,0,0]=4 12006 B13R1.41 CCOC(=O)OCN1CC[C@@H](C1)O 540d606e19a68411f284c778eb42d4d5 [0,1,0,1,0,0|2,0,0]=4 12007 B13R1.41 CCOC(=O)OCN1CC[C@H](C1)F d13504ed6a32c476a77eedf4124828d0 [0,1,0,1,0,0|2,0,0]=4 12008 B13R1.41 CCOC(=O)OCN1CC[C@H](C1)O 2b663bec045872d86a98ff42a43e876e [0,1,0,1,0,0|2,0,0]=4 12009 B13R1.41 CCSC(=O)OCN1CCC(C1)C 043054eb1f224b343ff82d66c4d26e8b [0,1,0,1,0,0|2,0,0]=4 12010 B13R1.41 CCSC(=O)OCN1CCC(C1)F e7e60d11612202ad40854160c1cbb71b [0,1,0,1,0,0|2,0,0]=4 12011 B13R1.41 CCSC(=O)OCN1CCC(C1)O d454a7043ad97ad2fd0578895e480a0a [0,1,0,1,0,0|2,0,0]=4 12012 B13R1.41 CCSC(=O)OCN1CC[C@@H](C1)F 141488f43bf1cfb594351411cc75f444 [0,1,0,1,0,0|2,0,0]=4 12013 B13R1.41 CCSC(=O)OCN1CC[C@@H](C1)O 9ca858a5d0536682b3bdbe6b1625bd42 [0,1,0,1,0,0|2,0,0]=4 12014 B13R1.41 CCSC(=O)OCN1CC[C@H](C1)F b63fc91cd2a36e0e9f87994acf581d78 [0,1,0,1,0,0|2,0,0]=4 12015 B13R1.41 CCSC(=O)OCN1CC[C@H](C1)O d78afaa07d7a52a3328d619db3f5cbca [0,1,0,1,0,0|2,0,0]=4 12016 B13R1.41 COCC(=O)NCC1CCC(C1)O 2136899d191e75bfeb9ea4894fed285f [0,1,0,1,0,0|2,0,0]=4 12017 B13R1.41 CSCC(=O)NCC1CCC(C1)O 7c8badd31c00c3c624ae64c52cb5bdf5 [0,1,0,1,0,0|2,0,0]=4 12018 B13R1.41 O=C(CCF)NCC1CCC(C1)O 990a4d6bcc6a1963fb48effb57a08c74 [0,1,0,1,0,0|2,0,0]=4 12019 B13R1.41 O=C(CCO)NCC1CCC(C1)O b1132d69b4a691e319b81fdeff2a701d [0,1,0,1,0,0|2,0,0]=4 12020 B13R1.41 O=C(CCS)NCC1CCC(C1)O 40c834cb64581411e8f13f043305a235 [0,1,0,1,0,0|2,0,0]=4 12021 B13R1.153 C#CCCC(=O)NCC1CCCC1 37c335e915c49c7d56e91beb484d13ad [0,1,0,1,0,0|1,0,1]=4 12022 B13R1.153 C/C=C/CC(=O)NCC1CCCC1 45f8f9fc5c5869e0dfa79a771a18e771 [0,1,0,1,0,0|1,0,1]=4 12023 B13R1.153 C=CCCC(=O)NCC1CCCC1 40328554ed16b090359354501934e84b [0,1,0,1,0,0|1,0,1]=4 12024 B13R1.153 CC#CCC(=O)NCC1CCCC1 b09d47e36afc8cc858ec0d6ab7b4029c [0,1,0,1,0,0|1,0,1]=4 12025 B13R1.153 CC/C=C/C(=O)NCC1CCCC1 01c425351af9e5e9e5543da914535509 [0,1,0,1,0,0|1,0,1]=4 12026 B13R1.153 CC/C=C\C(=O)NCC1CCCC1 3bc65b31660719bf7c292279d06539dc [0,1,0,1,0,0|1,0,1]=4 12027 B13R1.153 CCC#CC(=O)NCC1CCCC1 76b899e1bdfaccbf5e201dbba39128ef [0,1,0,1,0,0|1,0,1]=4 12028 B13R1.153 CCC=CC(=O)NCC1CCCC1 2dc3adfe5d9db62237b9bfd7c41a83a9 [0,1,0,1,0,0|1,0,1]=4 12029 B13R1.153 CCCCC(=O)NCC1CCCC1 6f5543e1a0e768595d290b41fd10bbe0 [0,1,0,1,0,0|1,0,0]=3 12030 B13R1.153 CCCCC(=O)NCC1CCCO1 b2ab1fb8249ac75bff3623f455562415 [0,1,0,1,0,0|2,0,0]=4 12031 B13R1.153 CCCCC(=O)NCC1CCOC1 d178c24634f35144be890d638b0c7d7c [0,1,0,1,0,0|2,0,0]=4 12032 B13R1.153 CCCCC(=O)NC[C@@H]1CCCO1 873f095f8567b60792f44bb11ded4207 [0,1,0,1,0,0|2,0,0]=4 12033 B13R1.153 CCCCC(=O)NC[C@@H]1CCOC1 9557d9145b2126603b2e06bc59403bd5 [0,1,0,1,0,0|2,0,0]=4 12034 B13R1.153 CCCCC(=O)NC[C@H]1CCCO1 291a3cfdcbdbee98251e31096f5a7b82 [0,1,0,1,0,0|2,0,0]=4 12035 B13R1.153 CCCCC(=O)NC[C@H]1CCOC1 6c9f9195de27f5f6a8c570a703426568 [0,1,0,1,0,0|2,0,0]=4 12036 B13R1.153 CCCCC(=O)OCN1CCSC1 66c8608276ffa71261961628c5a36876 [0,1,0,1,0,0|2,0,0]=4 12037 B13R1.153 CCCCC(C)COC1CCCC1 ff598a598f3c24263659051d2fc021b2 [0,1,0,1,0,0|1,0,1]=4 12038 B13R1.153 CCCCC(C)OCC1CCCC1 e667160d5fc59996d85cc7c938d6fcf2 [0,1,0,1,0,0|1,0,1]=4 12039 B13R1.153 CCCC[C@@H](C)OCC1CCCC1 a2e854ebbf7938a61ffe953c063a5022 [0,1,0,1,0,0|1,0,1]=4 12040 B13R1.153 CCCC[C@H](C)OCC1CCCC1 a8cd3c1af1cedf17c5019afcb98ed27a [0,1,0,1,0,0|1,0,1]=4 12041 B13R1.153 CCCNC(=O)/C=C/C1CCCC1 8c58673b6b8a1716c4b08c43c1db29b8 [0,1,0,1,0,0|1,0,1]=4 12042 B13R1.153 CCCNC(=O)CCC1CCCC1 c733f3d0d974c82a55544e55a3e22b1e [0,1,0,1,0,0|1,0,0]=3 12043 B13R1.153 CCCNC(=O)CCC1CCCO1 c4d24011c845f3d760febcb0cdea49b6 [0,1,0,1,0,0|2,0,0]=4 12044 B13R1.153 CCCNC(=O)CCC1CCOC1 928669d9da08ad312740c4aec8901755 [0,1,0,1,0,0|2,0,0]=4 12045 B13R1.153 CCCNC(=O)CCN1CCCC1 e18f931c0b0b5bdb5a61c87d159fd1e1 [0,1,0,1,0,0|2,0,0]=4 12046 B13R1.153 CCCNC(=O)CNC1CCCC1 edd4c3cbe0593ffa76728ae13a83efed [0,1,0,1,0,0|2,0,0]=4 12047 B13R1.153 CCCNC(=O)COC1CCCC1 14741f91432e7aae1f9c25dcda0535c7 [0,1,0,1,0,0|2,0,0]=4 12048 B13R1.153 CCCNC(=O)CSC1CCCC1 9bf48458fe095fa427bc0006cb62bcbd [0,1,0,1,0,0|2,0,0]=4 12049 B13R1.153 CCCNC(=O)NCC1CCCC1 a3b5fbd16e4e9659e48d9ee176c2f822 [0,1,0,1,0,0|1,0,0]=3 12050 B13R1.153 CCCNC(=O)NCC1CCCO1 92dbfd6f2c02e9ec415ad85c078aada9 [0,1,0,1,0,0|2,0,0]=4 12051 B13R1.153 CCCNC(=O)NCC1CCOC1 01bc6503522fdf79730e69d1b21824e5 [0,1,0,1,0,0|2,0,0]=4 12052 B13R1.153 CCCNC(=O)NC[C@@H]1CCCO1 fcf892eee516befe22afc2395b5d35ad [0,1,0,1,0,0|2,0,0]=4 12053 B13R1.153 CCCNC(=O)NC[C@@H]1CCOC1 dfb8546b10181c8de0f895e02dc68a38 [0,1,0,1,0,0|2,0,0]=4 12054 B13R1.153 CCCNC(=O)NC[C@H]1CCCO1 cfdee8061117b4a92534df8764c19d1b [0,1,0,1,0,0|2,0,0]=4 12055 B13R1.153 CCCNC(=O)NC[C@H]1CCOC1 881bd3e632a8c07104ca602a7c0ff8ba [0,1,0,1,0,0|2,0,0]=4 12056 B13R1.153 CCCNC(=S)NCC1CCCC1 28a946329589f50793e6f46322f54b2e [0,1,0,1,0,0|1,1,0]=4 12057 B13R1.153 CCCOC(=O)CNC1CCCC1 25082dc1b75390395cc434b248d8e530 [0,1,0,1,0,0|2,0,0]=4 12058 B13R1.153 CCCOC(=O)COC1CCCC1 ff1b187c8b438243fc698bc1b697fc3c [0,1,0,1,0,0|2,0,0]=4 12059 B13R1.153 CCCOC(=O)OCN1CCSC1 e9f69cca9b449dc1df13740aee500e90 [0,1,0,1,0,0|2,0,0]=4 12060 B13R1.153 CCOCC(=O)NCC1CCCC1 af5db74faf36e2b14009bb6ff3ada6fa [0,1,0,1,0,0|1,0,0]=3 12061 B13R1.153 CCOCC(=O)NCC1CCCO1 d5e767dca64469b197ab284dd3008e5e [0,1,0,1,0,0|2,0,0]=4 12062 B13R1.153 CCOCC(=O)NCC1CCOC1 f2d51adbf771790788976f052793ec0c [0,1,0,1,0,0|2,0,0]=4 12063 B13R1.153 CCOCC(=O)NC[C@@H]1CCCO1 8ff6b595ab7532c87487af20e705afb6 [0,1,0,1,0,0|2,0,0]=4 12064 B13R1.153 CCOCC(=O)NC[C@@H]1CCOC1 b06a8530207f8b8ae14537c4c2af9cf0 [0,1,0,1,0,0|2,0,0]=4 12065 B13R1.153 CCOCC(=O)NC[C@H]1CCCO1 222e559c34c946c2cb8a94a934e58be7 [0,1,0,1,0,0|2,0,0]=4 12066 B13R1.153 CCOCC(=O)NC[C@H]1CCOC1 d97fded19a3fd063ef091b4d9c268752 [0,1,0,1,0,0|2,0,0]=4 12067 B13R1.153 CCOCC(C)OCC1CCCC1 669f0203ab3d4516dd909e2d426267f6 [0,1,0,1,0,0|1,0,1]=4 12068 B13R1.153 CCSCC(=O)NCC1CCCC1 7ab8d70355c405d6859a043987cfb007 [0,1,0,1,0,0|1,0,0]=3 12069 B13R1.153 CCSCC(=O)NCC1CCCO1 877dd67e3acf826e3e0e9963f88bfa00 [0,1,0,1,0,0|2,0,0]=4 12070 B13R1.153 CCSCC(=O)NCC1CCOC1 b75eeba85e7d8e540cbba0afb903156c [0,1,0,1,0,0|2,0,0]=4 12071 B13R1.153 CCSCC(=O)NC[C@@H]1CCCO1 48967a04147a960f94d28702f493d555 [0,1,0,1,0,0|2,0,0]=4 12072 B13R1.153 CCSCC(=O)NC[C@@H]1CCOC1 126dff365faf9d9888b04528ea0bf5ae [0,1,0,1,0,0|2,0,0]=4 12073 B13R1.153 CCSCC(=O)NC[C@H]1CCCO1 81202c91e2b8e7ca2ba585c129f3be5d [0,1,0,1,0,0|2,0,0]=4 12074 B13R1.153 CCSCC(=O)NC[C@H]1CCOC1 c7c153af2d1473e6696f990e1c4a99f3 [0,1,0,1,0,0|2,0,0]=4 12075 B13R1.153 COCCC(=O)NCC1CCCC1 7afb48ca409e36ac858d7e64dd12fc8b [0,1,0,1,0,0|1,0,0]=3 12076 B13R1.153 COCCC(=O)NCC1CCCO1 f46c7cb25212bd5d663582f8feea1f04 [0,1,0,1,0,0|2,0,0]=4 12077 B13R1.153 COCCC(=O)NCC1CCOC1 0f08d98eee49aa7c59ad688f3d6fa4b2 [0,1,0,1,0,0|2,0,0]=4 12078 B13R1.153 COCCC(=O)NC[C@@H]1CCCO1 5b7973f46e5fde41a2ac078da2d016b9 [0,1,0,1,0,0|2,0,0]=4 12079 B13R1.153 COCCC(=O)NC[C@@H]1CCOC1 f556545f26dd989180928b19f39c1be2 [0,1,0,1,0,0|2,0,0]=4 12080 B13R1.153 COCCC(=O)NC[C@H]1CCCO1 d6e9ac5ac9b85bf4770cb6acfc03078f [0,1,0,1,0,0|2,0,0]=4 12081 B13R1.153 COCCC(=O)NC[C@H]1CCOC1 00dcabba5b0730899b402775ad205c9a [0,1,0,1,0,0|2,0,0]=4 12082 B13R1.153 COCCC(C)OCC1CCCC1 aa025ffb8aee54f17a37b29df52ca137 [0,1,0,1,0,0|1,0,1]=4 12083 B13R1.153 CSCCC(=O)CNC1CCCC1 3af0a37c95a5d9deecc255aafeaf0f4f [0,1,0,1,0,0|2,0,0]=4 12084 B13R1.153 CSCCC(=O)COC1CCCC1 210c5f2bca0a4a0328412ad66992fba0 [0,1,0,1,0,0|2,0,0]=4 12085 B13R1.153 CSCCC(=O)NCC1CCCC1 0279bb27bcf61719574be7698e8ae39e [0,1,0,1,0,0|1,0,0]=3 12086 B13R1.153 CSCCC(=O)NCC1CCCO1 412120c038d764c85ba0a5ecf6ef9334 [0,1,0,1,0,0|2,0,0]=4 12087 B13R1.153 CSCCC(=O)NCC1CCOC1 42cfc8071e76491f43e4f1bb909c84f4 [0,1,0,1,0,0|2,0,0]=4 12088 B13R1.153 CSCCC(=O)NC[C@@H]1CCCO1 d48c1905614ab8f2cd901ed2d71e239c [0,1,0,1,0,0|2,0,0]=4 12089 B13R1.153 CSCCC(=O)NC[C@@H]1CCOC1 801f9c08e385080dc9b2e77213819abd [0,1,0,1,0,0|2,0,0]=4 12090 B13R1.153 CSCCC(=O)NC[C@H]1CCCO1 d80bf6a887fd57f5975a2bb7b4027842 [0,1,0,1,0,0|2,0,0]=4 12091 B13R1.153 CSCCC(=O)NC[C@H]1CCOC1 2d34645d73903e7ca3ad29938baabb82 [0,1,0,1,0,0|2,0,0]=4 12092 B13R1.153 CSCCC(C)OCC1CCCC1 9c42c6c945981eb0b84016efc3b283c5 [0,1,0,1,0,0|1,0,1]=4 12093 B13R1.153 CSSCC(=O)NCC1CCCC1 f0cbd777f2d3a9f7dec99c6e13e57951 [0,1,0,1,0,0|2,0,0]=4 12094 B13R1.153 N#CCCC(=O)NCC1CCCC1 ba0d69dab95ad892b6b874f64d04873a [0,1,0,1,0,0|1,0,1]=4 12095 B13R1.153 NCCNC(=O)NCC1CCCC1 332e0f72f5ae492bc57de0458b914158 [0,1,0,1,0,0|2,0,0]=4 12096 B13R1.153 O=C(CCC1CCCC1)NCCBr 68b712d55245adbab48ad3fa6fa77887 [0,1,0,1,0,0|2,0,0]=4 12097 B13R1.153 O=C(CCC1CCCC1)NCCF f9da8ed2eebe72714f54e76ae8823088 [0,1,0,1,0,0|2,0,0]=4 12098 B13R1.153 O=C(CCC1CCCC1)NCCI c92922a82b52c8c3efa8db4c8fa96e65 [0,1,0,1,0,0|2,0,0]=4 12099 B13R1.153 O=C(CCC1CCCC1)NCCO 8ee952a9791432e23cfa9470e9d3aa87 [0,1,0,1,0,0|2,0,0]=4 12100 B13R1.153 O=C(CCC1CCCC1)NCCS 4d8b10118cc7e9fab48daa83055659f5 [0,1,0,1,0,0|2,0,0]=4 12101 B13R1.153 O=C(CCCF)NCC1CCCC1 6b27a1af358962b438586bc718f808a2 [0,1,0,1,0,0|1,0,0]=3 12102 B13R1.153 O=C(CCCF)NCC1CCCO1 d9ba9411fb2c6e473769877a7744133f [0,1,0,1,0,0|2,0,0]=4 12103 B13R1.153 O=C(CCCF)NCC1CCOC1 02ce051b43103d3c7a80aee2100bdfb6 [0,1,0,1,0,0|2,0,0]=4 12104 B13R1.153 O=C(CCCF)NC[C@@H]1CCCO1 bc0fb803fba673f0fd16d6050c126828 [0,1,0,1,0,0|2,0,0]=4 12105 B13R1.153 O=C(CCCF)NC[C@@H]1CCOC1 e09843d1b664ed51dbf06de95c5a1743 [0,1,0,1,0,0|2,0,0]=4 12106 B13R1.153 O=C(CCCF)NC[C@H]1CCCO1 be8614ce4565cc06879a30f683782278 [0,1,0,1,0,0|2,0,0]=4 12107 B13R1.153 O=C(CCCF)NC[C@H]1CCOC1 108515a6773e0be5a6339569a52dcd76 [0,1,0,1,0,0|2,0,0]=4 12108 B13R1.153 O=C(CCCS)NCC1CCCC1 3314c3a7ed84cfa26f2d081447417412 [0,1,0,1,0,0|1,0,0]=3 12109 B13R1.153 O=C(CCCS)NCC1CCCO1 a740aa48f8be91871a0db5560741c578 [0,1,0,1,0,0|2,0,0]=4 12110 B13R1.153 O=C(CCCS)NCC1CCOC1 717004bdf9ca9a6bb19c5022abb3f465 [0,1,0,1,0,0|2,0,0]=4 12111 B13R1.153 O=C(CCCS)NC[C@@H]1CCCO1 2786f3cc93e35a6a099a1e23e8d1a60c [0,1,0,1,0,0|2,0,0]=4 12112 B13R1.153 O=C(CCCS)NC[C@@H]1CCOC1 f7cbf6e3d54093385f624e4f73008ab6 [0,1,0,1,0,0|2,0,0]=4 12113 B13R1.153 O=C(CCCS)NC[C@H]1CCCO1 857e1fd07fdbabc94dea66cc9ce2f636 [0,1,0,1,0,0|2,0,0]=4 12114 B13R1.153 O=C(CCCS)NC[C@H]1CCOC1 5a411967d498f519cf3e51a6d6ab66bb [0,1,0,1,0,0|2,0,0]=4 12115 B13R1.153 O=C(NCCF)NCC1CCCC1 11dc9b72ca334d2218e2385ac009adb5 [0,1,0,1,0,0|2,0,0]=4 12116 B13R1.153 O=C(NCCO)NCC1CCCC1 b3b082dfe09aade8f9d0a52dc47d2d76 [0,1,0,1,0,0|2,0,0]=4 12117 B13R1.153 O=C(NCCS)NCC1CCCC1 2e018e3a2d1f5cb3a41241923210b193 [0,1,0,1,0,0|2,0,0]=4 12118 B13R1.153 O=CCCC(=O)NCC1CCCC1 be4ff0d75687a09ca927c8140da38196 [0,1,0,1,0,0|1,0,1]=4 12119 B13R1.446 CC1CCC(CN1C(=O)CCF)O c43a86cb2ac4dc2ba5889c4620122261 [0,1,0,1,0,0|2,0,0]=4 12120 B13R1.446 CC1CCC(CN1C(=O)CCO)O c2f12fd8e43c34ccfa5cb88c02cd1dbc [0,1,0,1,0,0|2,0,0]=4 12121 B13R1.446 CC1CCC(CN1C(=O)CCS)O 047bb7fa443b82d811a23d53199e74a4 [0,1,0,1,0,0|2,0,0]=4 12122 B13R1.446 CCCC(=O)N1CC(CCC1C)O 9fe598ac22271ff6e52270fd6466856b [0,1,0,1,0,0|1,0,0]=3 12123 B13R1.446 CCCC(=O)N1CC(OCC1C)C b24321c7f115cc00f31ce565d3bdad15 [0,1,0,1,0,0|2,0,0]=4 12124 B13R1.446 CCCC(=O)N1C[C@@H](CC[C@H]1C)O c5bcdd8db76189c216738fc18f14e4ed [0,1,0,1,0,0|1,0,0]=3 12125 B13R1.446 CCCC(=O)N1C[C@@H](OC[C@@H]1C)C 200b2761a884e081b3799b0b14503458 [0,1,0,1,0,0|2,0,0]=4 12126 B13R1.446 CCCC(=O)N1C[C@@H](OC[C@H]1C)C 4ef59e2e228fe703129c34fcb0a41034 [0,1,0,1,0,0|2,0,0]=4 12127 B13R1.446 CCCC(=O)N1C[C@H](OC[C@@H]1C)C 84cc5fc5ccac53a9973b0f98ca115f52 [0,1,0,1,0,0|2,0,0]=4 12128 B13R1.446 CCCC(=O)N1C[C@H](OC[C@H]1C)C 474cd8245a006fee0d6b15d1b7f9e334 [0,1,0,1,0,0|2,0,0]=4 12129 B13R1.446 COCC(=O)N1CC(CCC1C)O d8f419789fa462c8eb7c0fc1f055917f [0,1,0,1,0,0|2,0,0]=4 12130 B13R1.446 COCC(=O)N1C[C@@H](CC[C@H]1C)O 221c309ecf3e42970218fc04af075eb0 [0,1,0,1,0,0|2,0,0]=4 12131 B13R1.446 CSCC(=O)N1CC(CCC1C)O e0bcd2882e14f96c449c436348137700 [0,1,0,1,0,0|2,0,0]=4 12132 B13R1.446 CSCC(=O)N1C[C@@H](CC[C@H]1C)O 8c12e0cff63cfe89de6f1c4221364df6 [0,1,0,1,0,0|2,0,0]=4 12133 B13R1.446 C[C@@H]1CC[C@H](CN1C(=O)CCF)O 060841b0eb13a3f9711456f40b8ed0b5 [0,1,0,1,0,0|2,0,0]=4 12134 B13R1.446 C[C@@H]1CC[C@H](CN1C(=O)CCO)O e6aa1f3ffbb0abd791e35531e8e7111f [0,1,0,1,0,0|2,0,0]=4 12135 B13R1.446 C[C@@H]1CC[C@H](CN1C(=O)CCS)O 0080c353f43fe78e5b3d9d9c95d1d83d [0,1,0,1,0,0|2,0,0]=4 12136 B13R1.454 CCCC(=O)N1CC(CC1CO)O 4b0e07e89fe631d3b3109b0d718d38f5 [0,1,0,1,0,0|2,0,0]=4 12137 B13R1.494 CCCC(=O)N1CC(C1)CCOC 5612b7ca4ac6c3929bc2c97971b807b9 [0,1,0,1,0,0|2,0,0]=4 12138 B13R1.494 CCCOC1CN(C1)C(=O)CCC 164e956db82743e621cc7d964bf29545 [0,1,0,1,0,0|2,0,0]=4 12139 B13R1.675 CCCCC(=O)NCC1CC1CO bc8879f71d2f395ddc7dc96d7edb4aca [0,1,0,1,0,0|2,0,0]=4 12140 B13R1.675 CCCNC(=O)NCC1CC1CO 20e231550ad2b35a5cdeb18db0c29e9d [0,1,0,1,0,0|2,0,0]=4 12141 B13R1.675 CCOCC(=O)NCC1CC1CO 86012919c1593c92a317cd35ed479695 [0,1,0,1,0,0|2,0,0]=4 12142 B13R1.675 CCSCC(=O)NCC1CC1CO 180f33ba3211c6a5862afadfcfe8c23b [0,1,0,1,0,0|2,0,0]=4 12143 B13R1.675 COCCC(=O)NCC1CC1CO 45afc60e4461ac70ad4249fa73f21152 [0,1,0,1,0,0|2,0,0]=4 12144 B13R1.675 CSCCC(=O)NCC1CC1CO e93b59aab8f6f9b959ecc91dbec0012c [0,1,0,1,0,0|2,0,0]=4 12145 B13R1.675 O=C(CCCF)NCC1CC1CO cef4664d7513ae12874b3c4a4e866289 [0,1,0,1,0,0|2,0,0]=4 12146 B13R1.675 O=C(CCCS)NCC1CC1CO 5c122e389a1179cba410b5163f077484 [0,1,0,1,0,0|2,0,0]=4 12147 B13R1.686 CCCCC(=O)NC1CCCC1O 299ba10526bb5c63736b9f080f59ff3e [0,1,0,1,0,0|2,0,0]=4 12148 B13R1.686 CCCCC(=O)N[C@@H]1CCC[C@@H]1O f9b7bf5d6ca94bb6227112d7f6775b13 [0,1,0,1,0,0|2,0,0]=4 12149 B13R1.686 CCCCC(=O)N[C@@H]1CCC[C@H]1O a3ad43b6cc13154362985043b0ae27b4 [0,1,0,1,0,0|2,0,0]=4 12150 B13R1.686 CCCCC(=O)N[C@H]1CCC[C@@H]1O 8275631bbd1f393aea8ff42ac7e31341 [0,1,0,1,0,0|2,0,0]=4 12151 B13R1.686 CCCCC(=O)N[C@H]1CCC[C@H]1O 23f812266687533c05fe19be7933306b [0,1,0,1,0,0|2,0,0]=4 12152 B13R1.686 CCCCC(C)NC1CCCC1=O 0ed1eec14d74c225b52593f8f740ba96 [0,1,0,1,0,0|2,0,0]=4 12153 B13R1.686 CCCCC(C)OC1CCCC1C 914cfd4368c70bacd59b792cba4f1629 [0,1,0,1,0,0|1,0,1]=4 12154 B13R1.686 CCCCC(C)O[C@@H]1CCC[C@@H]1C 0a727d7cbd2d7987df6b1108705df79e [0,1,0,1,0,0|1,0,1]=4 12155 B13R1.686 CCCCC(C)O[C@@H]1CCC[C@H]1C 5a0e0e9a602fd83c353b26c6ea6d7f8b [0,1,0,1,0,0|1,0,1]=4 12156 B13R1.686 CCCCC(C)O[C@H]1CCC[C@@H]1C 0328b32d8fc33dad1b9d06023b9502a5 [0,1,0,1,0,0|1,0,1]=4 12157 B13R1.686 CCCCC(C)O[C@H]1CCC[C@H]1C 609f25835304ebaa203702a8ab21347b [0,1,0,1,0,0|1,0,1]=4 12158 B13R1.686 CCCCN(C)CN1CCCC1=O 21b81fbe72598403eee13d319db88fc1 [0,1,0,1,0,0|2,0,0]=4 12159 B13R1.686 CCCC[C@@H](C)NC1CCCC1=O 12ed469dda8001465857e298a392860c [0,1,0,1,0,0|2,0,0]=4 12160 B13R1.686 CCCNC(=O)CC1CCCN1C 25512a9b1981d616bd6906c050db83b4 [0,1,0,1,0,0|2,0,0]=4 12161 B13R1.686 CCCNC(=O)CN1CCCC1C 201740931df424e8aee1a41ed9da5dc1 [0,1,0,1,0,0|2,0,0]=4 12162 B13R1.686 CCCNC(=O)CN1CCC[C@@H]1C aebda1959f3ca139c92e8dcaf764ab2b [0,1,0,1,0,0|2,0,0]=4 12163 B13R1.686 CCCNC(=O)CN1CCC[C@H]1C 4d50f725ec681a97fc5883d8c5fe7879 [0,1,0,1,0,0|2,0,0]=4 12164 B13R1.686 CCCNC(=O)C[C@@H]1CCCN1C 307b0c62a4ab6ed22ffc9709a9d5625f [0,1,0,1,0,0|2,0,0]=4 12165 B13R1.686 CCCNC(=O)C[C@H]1CCCN1C 58830a8189a96b5388cb4fd5d716ea3e [0,1,0,1,0,0|2,0,0]=4 12166 B13R1.686 CCCNC(=O)NC1CCCC1O 06ef6c26d7a85985af29a82f3f446b26 [0,1,0,1,0,0|2,0,0]=4 12167 B13R1.686 CCCNC(=O)N[C@@H]1CCC[C@@H]1O 974dd043940ad88d94b4bd6c930f0b9d [0,1,0,1,0,0|2,0,0]=4 12168 B13R1.686 CCCNC(=O)N[C@@H]1CCC[C@H]1O 401d64f215e7136fa1cb9eda9c573680 [0,1,0,1,0,0|2,0,0]=4 12169 B13R1.686 CCCNC(=O)N[C@H]1CCC[C@@H]1N 07ed56e4b5f5493567333a9083f4404f [0,1,0,1,0,0|2,0,0]=4 12170 B13R1.686 CCCNC(=O)N[C@H]1CCC[C@@H]1O 5ef6ed8bcdcaad2fc6c13b4507b3bbdb [0,1,0,1,0,0|2,0,0]=4 12171 B13R1.686 CCCNC(=O)N[C@H]1CCC[C@H]1O 0d5f26d5a6f46b816178b8f55d08011b [0,1,0,1,0,0|2,0,0]=4 12172 B13R1.686 CCCOC(=O)CN1CCCC1C 7af7ea9afd9ed676673245512295f975 [0,1,0,1,0,0|2,0,0]=4 12173 B13R1.686 CCCOC(=O)CN1CCC[C@@H]1C 3eac6a50bb77b15bfedfafa8476a27f9 [0,1,0,1,0,0|2,0,0]=4 12174 B13R1.686 CCCOC(=O)CN1CCC[C@H]1C 7fb44a39e46bc51eb8b751066059bff8 [0,1,0,1,0,0|2,0,0]=4 12175 B13R1.686 CCOCC(=O)NC1CCCC1O a6a70cd9777c0f8b9216853987a9dded [0,1,0,1,0,0|2,0,0]=4 12176 B13R1.686 CCOCC(=O)N[C@@H]1CCC[C@@H]1O ba49acfb2917d7f59d8bf29b6bc879c3 [0,1,0,1,0,0|2,0,0]=4 12177 B13R1.686 CCOCC(=O)N[C@@H]1CCC[C@H]1O 82d030fd779a5b2f4230290ceff93a73 [0,1,0,1,0,0|2,0,0]=4 12178 B13R1.686 CCOCC(=O)N[C@H]1CCC[C@@H]1O cede05ecbd1eb5f9932a204050927704 [0,1,0,1,0,0|2,0,0]=4 12179 B13R1.686 CCOCC(=O)N[C@H]1CCC[C@H]1O 03d226b034855b4221497cf24d6687c2 [0,1,0,1,0,0|2,0,0]=4 12180 B13R1.686 CCSCC(=O)NC1CCCC1O 1e4310680b13ba421c5ad968b9198569 [0,1,0,1,0,0|2,0,0]=4 12181 B13R1.686 CCSCC(=O)N[C@@H]1CCC[C@@H]1O 94d28b3fb88c65c68a5c609c16748ef7 [0,1,0,1,0,0|2,0,0]=4 12182 B13R1.686 CCSCC(=O)N[C@@H]1CCC[C@H]1O aac9658624277e154c0f28460436673e [0,1,0,1,0,0|2,0,0]=4 12183 B13R1.686 CCSCC(=O)N[C@H]1CCC[C@@H]1O 427cfa6fba6ae5d418e606e4e2e3878e [0,1,0,1,0,0|2,0,0]=4 12184 B13R1.686 CCSCC(=O)N[C@H]1CCC[C@H]1O d45eb4a126a03772ea8ba7d151770f58 [0,1,0,1,0,0|2,0,0]=4 12185 B13R1.686 COCCC(=O)NC1CCCC1O 77a998c5b2766fb1322a26370c5302bf [0,1,0,1,0,0|2,0,0]=4 12186 B13R1.686 COCCC(=O)N[C@@H]1CCC[C@@H]1O 376ac722d13b665a8319c5f7e09316ce [0,1,0,1,0,0|2,0,0]=4 12187 B13R1.686 COCCC(=O)N[C@@H]1CCC[C@H]1O c3432e226ab90e301486ef905e02da88 [0,1,0,1,0,0|2,0,0]=4 12188 B13R1.686 COCCC(=O)N[C@H]1CCC[C@@H]1O 4bb862113e26a1bc78f231f611f805c5 [0,1,0,1,0,0|2,0,0]=4 12189 B13R1.686 COCCC(=O)N[C@H]1CCC[C@H]1O c7c87c0b1332b41fdb9fb6b8fbb9eb98 [0,1,0,1,0,0|2,0,0]=4 12190 B13R1.686 CSCCC(=O)CN1CCCC1C 07ca26a74fcbf85b1af5fda1bd6d3037 [0,1,0,1,0,0|2,0,0]=4 12191 B13R1.686 CSCCC(=O)CN1CCC[C@@H]1C c695a467323b2d5b02bc739e86e86bda [0,1,0,1,0,0|2,0,0]=4 12192 B13R1.686 CSCCC(=O)CN1CCC[C@H]1C 018c3d4aa611e6d435de8efe76ff9a4d [0,1,0,1,0,0|2,0,0]=4 12193 B13R1.686 O=C(CCCS)NC1CCCC1O 3c0b254b19cdcf48403fb04c3f500cb4 [0,1,0,1,0,0|2,0,0]=4 12194 B13R1.686 O=C(CCCS)N[C@@H]1CCC[C@@H]1O d2c3adcdaa50698003a66ac37fa86924 [0,1,0,1,0,0|2,0,0]=4 12195 B13R1.686 O=C(CCCS)N[C@@H]1CCC[C@H]1O 6b0b7c5850ffb89d8d7516a908eefed8 [0,1,0,1,0,0|2,0,0]=4 12196 B13R1.686 O=C(CCCS)N[C@H]1CCC[C@@H]1O b0a2ea55e1e63d0c5168d46367642cb3 [0,1,0,1,0,0|2,0,0]=4 12197 B13R1.686 O=C(CCCS)N[C@H]1CCC[C@H]1O f7a6941b9615ff4d3990d14cf075247c [0,1,0,1,0,0|2,0,0]=4 12198 B13R1.1309 CCCCC(C)COC(C)C1CC1 a6eb9c9068fecf843aa2419f0a7e1d6f [0,1,0,1,0,0|1,0,1]=4 12199 B13R1.1309 CCCCC(C)NCC(=O)C1CC1 dd28806d8573a2430a6a15b6c93c6a0b [0,1,0,1,0,0|2,0,0]=4 12200 B13R1.1309 CCCCC(C)OCC(=O)C1CC1 576d2bf4c00536c9004cd5eb4c0097c0 [0,1,0,1,0,0|2,0,0]=4 12201 B13R1.1309 CCCCN(C)COC(=O)C1CC1 f080b31bf5c6d7b5e49c94c5cbdae73a [0,1,0,1,0,0|1,0,0]=3 12202 B13R1.1309 CCCC[C@@H](C)NCC(=O)C1CC1 a630b86c17cd8a61bda2306b0f044277 [0,1,0,1,0,0|2,0,0]=4 12203 B13R1.1309 CCCC[C@@H](C)OCC(=O)C1CC1 3cd1dcec7995367a9f4be7a1dac05858 [0,1,0,1,0,0|2,0,0]=4 12204 B13R1.1309 CCCC[C@H](C)OCC(=O)C1CC1 f931513a3589a01c1d9c1fc03ee9f58a [0,1,0,1,0,0|2,0,0]=4 12205 B13R1.1309 CN(CCCO)COC(=O)C1CC1 00b58ceb6641f5661c502884320468f2 [0,1,0,1,0,0|2,0,0]=4 12206 B13R1.1462 CCCC(=O)N1CCCCC(C1)O 8f95193a2839753918175da7181af72e [0,1,0,1,0,0|1,0,0]=3 12207 B13R1.1462 CCCC(=O)N1CCCC[C@H](C1)O f61088bfc69520e2e7a5dc68cd416c62 [0,1,0,1,0,0|1,0,0]=3 12208 B13R1.1462 CCCC(=O)N1CCCOC(C1)C 20d7ab733e278ec79969ecb1ef9af666 [0,1,0,1,0,0|2,0,0]=4 12209 B13R1.1462 CCCC(=O)N1CCOCC(C1)F 74731dd8036e992b4f371a789d20f044 [0,1,0,1,0,0|2,0,0]=4 12210 B13R1.1462 CCCC(=O)N1CCOCC(C1)O c60564947a30d470e572b8a6a3771bcc [0,1,0,1,0,0|2,0,0]=4 12211 B13R1.1462 CCCC(=O)N1CCOC[C@@H](C1)F 5842b2e75d15090b890871ddf0cd0849 [0,1,0,1,0,0|2,0,0]=4 12212 B13R1.1462 CCCC(=O)N1CCOC[C@@H](C1)O 02b3dc0cd95b219ea7e82ce3453bda93 [0,1,0,1,0,0|2,0,0]=4 12213 B13R1.1462 CCCC(=O)N1CCOC[C@H](C1)F bb4d2e526723383426d52a16ad5c88cb [0,1,0,1,0,0|2,0,0]=4 12214 B13R1.1462 CCCC(=O)N1CCOC[C@H](C1)O 461b4c970dbfbad7ac0164f56890ad79 [0,1,0,1,0,0|2,0,0]=4 12215 B13R1.1462 COCC(=O)N1CCCCC(C1)O 9db7a1c196a8181bf6bed0280a81eb95 [0,1,0,1,0,0|2,0,0]=4 12216 B13R1.1462 COCC(=O)N1CCCC[C@H](C1)O 5a52d26da52666f4a544d7a63ec027ab [0,1,0,1,0,0|2,0,0]=4 12217 B13R1.1462 CSCC(=O)N1CCCCC(C1)O ab359e970e7358cd57610663519c133b [0,1,0,1,0,0|2,0,0]=4 12218 B13R1.1462 CSCC(=O)N1CCCC[C@H](C1)O 8aa942610d2e33f0a946d8f1ad9594d1 [0,1,0,1,0,0|2,0,0]=4 12219 B13R1.1462 O=C(CCF)N1CCCCC(C1)O 222731423456f3441ea0daef87d7b5dc [0,1,0,1,0,0|2,0,0]=4 12220 B13R1.1462 O=C(CCF)N1CCCC[C@H](C1)O 94413fb89b8ffc3d9af46e133444ea97 [0,1,0,1,0,0|2,0,0]=4 12221 B13R1.1462 O=C(CCO)N1CCCCC(C1)O c1e4a4f95eaf835f09fc73877050b50f [0,1,0,1,0,0|2,0,0]=4 12222 B13R1.1462 O=C(CCO)N1CCCC[C@H](C1)O ad128dfae808e545529b3e4796646e1c [0,1,0,1,0,0|2,0,0]=4 12223 B13R1.1462 O=C(CCS)N1CCCCC(C1)O b1bc2debcafb4b43e2a28b2cbf8cebaf [0,1,0,1,0,0|2,0,0]=4 12224 B13R1.1462 O=C(CCS)N1CCCC[C@H](C1)O e7611c51c24e991ea8ad189afdb7d705 [0,1,0,1,0,0|2,0,0]=4 12225 B13R1.1483 CC1(CCCC1)CNC(=O)CCF f61dac85f5968808cd180436553cf4fa [0,1,0,1,0,0|2,0,0]=4 12226 B13R1.1483 CC1(CCCC1)CNC(=O)CCO 6a3cd4f30e3686dd3c8ba5e32fc5b7ac [0,1,0,1,0,0|2,0,0]=4 12227 B13R1.1483 CC1(CCCC1)CNC(=O)CCS aa4eeac9eb24643893d96b07e4b410ad [0,1,0,1,0,0|2,0,0]=4 12228 B13R1.1483 CCCC(=O)CNC1(CCCC1)C 1c9eb94d72d5f6b08bdbb4b846f2c0aa [0,1,0,1,0,0|2,0,0]=4 12229 B13R1.1483 CCCC(=O)NCC1(CCCC1)C 864de174b8ccabbaf26aa5cc9799af55 [0,1,0,1,0,0|1,0,0]=3 12230 B13R1.1483 CCCC(=O)NCC1(CCCC1)F bb7b0e31425ee349cdedf9799690f474 [0,1,0,1,0,0|1,0,0]=3 12231 B13R1.1483 CCCC(=O)NCC1(CCCC1)O 204c4acb33378f51bfa5d8ce28dc1e77 [0,1,0,1,0,0|1,0,0]=3 12232 B13R1.1483 CCCC(=O)NCC1(CCCO1)C f7b97b0f8c6235ac8d844855a6a3eaa4 [0,1,0,1,0,0|2,0,0]=4 12233 B13R1.1483 CCCC(=O)NCC1(CCOC1)C 1b9deaab4712f3e64d16d62a59a3b0d5 [0,1,0,1,0,0|2,0,0]=4 12234 B13R1.1483 CCCC(=O)NCC1(CCOC1)O dd8f1a8a5362c5f2230b4b1ca895d224 [0,1,0,1,0,0|2,0,0]=4 12235 B13R1.1483 CCCC(=S)OCC1(CCCC1)C 42fea10f65a81e7070e2b2de6845277f [0,1,0,1,0,0|0,1,0]=3 12236 B13R1.1483 CCCC(=S)OCC1(CCCC1)F 9ca8558495a8118804566f5dad7339b8 [0,1,0,1,0,0|0,1,0]=3 12237 B13R1.1483 CCCC(C)OCC1(CCCC1)C 99210275cbf780d192f854c72ebf80c9 [0,1,0,1,0,0|1,0,1]=4 12238 B13R1.1483 CCCC(C)OCC1(CCCC1)F fc3c023619d15da1892371120b466890 [0,1,0,1,0,0|1,0,1]=4 12239 B13R1.1483 CCC[C@@H](C)OCC1(CCCC1)C 2fa8e7c2eb2ee06541846060d90c064b [0,1,0,1,0,0|1,0,1]=4 12240 B13R1.1483 CCC[C@@H](C)OCC1(CCCC1)F 81fa379e229257eb03db209ea3da4f9e [0,1,0,1,0,0|1,0,1]=4 12241 B13R1.1483 CCC[C@H](C)OCC1(CCCC1)C 3d5d51afb8e332b8ec165a8be2c28ca2 [0,1,0,1,0,0|1,0,1]=4 12242 B13R1.1483 CCC[C@H](C)OCC1(CCCC1)F 2321e0d7f1209beb349bfbb0eed1b205 [0,1,0,1,0,0|1,0,1]=4 12243 B13R1.1483 COCC(=O)NCC1(CCCC1)C 513ca79907c3fbc5e983ae7887b97b48 [0,1,0,1,0,0|2,0,0]=4 12244 B13R1.1483 COCC(=O)NCC1(CCCC1)F 8e4971330a7543ca713b8099311a628c [0,1,0,1,0,0|2,0,0]=4 12245 B13R1.1483 COCC(=O)NCC1(CCCC1)O afc20efc5f03edc91d0ace31d5a54ccb [0,1,0,1,0,0|2,0,0]=4 12246 B13R1.1483 CSCC(=O)NCC1(CCCC1)C 50c99798c68f6b85c4e7ab5247ab93dc [0,1,0,1,0,0|2,0,0]=4 12247 B13R1.1483 CSCC(=O)NCC1(CCCC1)F 3d7592c6532726cb5e16b727a66587bb [0,1,0,1,0,0|2,0,0]=4 12248 B13R1.1483 CSCC(=O)NCC1(CCCC1)O fb876017d40b1c496dd79f4eff5fcc29 [0,1,0,1,0,0|2,0,0]=4 12249 B13R1.1483 O=C(CCF)NCC1(CCCC1)F bd2633d2c1f68eb362ad27a895cac9e8 [0,1,0,1,0,0|2,0,0]=4 12250 B13R1.1483 O=C(CCF)NCC1(CCCC1)O 3d424263eeb60581a151c6511b0b6427 [0,1,0,1,0,0|2,0,0]=4 12251 B13R1.1483 O=C(CCO)NCC1(CCCC1)F dae484ea384a76b6a4d0819b61c4fb1b [0,1,0,1,0,0|2,0,0]=4 12252 B13R1.1483 O=C(CCO)NCC1(CCCC1)O 142e30ace74f17bf25b414ccba58ca05 [0,1,0,1,0,0|2,0,0]=4 12253 B13R1.1483 O=C(CCS)NCC1(CCCC1)F afb142e0d47155fa51f82bcca6525ebe [0,1,0,1,0,0|2,0,0]=4 12254 B13R1.1483 O=C(CCS)NCC1(CCCC1)O 3211cee21baafeff0f7009f6495d4640 [0,1,0,1,0,0|2,0,0]=4 12255 B13R1.1486 CCCC(=O)NCC1CC(C1)OC 95dfed001f6806a117d5afa04e369c74 [0,1,0,1,0,0|2,0,0]=4 12256 B13R1.1486 CCCC(=O)NCC1CN(C1)CC fd5b3f5ef556d8bbe74ba557ad14b0e3 [0,1,0,1,0,0|2,0,0]=4 12257 B13R1.1486 CCCC(=O)OCN1CC(C1)CC dd325c076f1b57dbb668484c0537dd84 [0,1,0,1,0,0|1,0,0]=3 12258 B13R1.1486 CCCC(=O)OCN1CC(C1)CF 0aac1b007964de80e7c05e84df43c439 [0,1,0,1,0,0|2,0,0]=4 12259 B13R1.1486 CCCC(=O)OCN1CC(C1)CO e31dd56536aa03f0868fb0d3c613c7d9 [0,1,0,1,0,0|2,0,0]=4 12260 B13R1.1486 CCCC(=O)OCN1CC(C1)OC 875e8d23a9c9b08eb01c8263d0a56085 [0,1,0,1,0,0|2,0,0]=4 12261 B13R1.1486 CCCC(=O)OCN1CC(C1)SC 50cee4b1929f03580dde2b9866b1ac05 [0,1,0,1,0,0|2,0,0]=4 12262 B13R1.1486 CCCC(=S)OCC1CC(C1)OC b6b233e467d7e1e87c15ac56ce8098af [0,1,0,1,0,0|1,1,0]=4 12263 B13R1.1486 CCOC(=O)OCN1CC(C1)CC 415c3acd46dd1285b4bb2406ea81bd24 [0,1,0,1,0,0|2,0,0]=4 12264 B13R1.1486 CCSC(=O)OCN1CC(C1)CC cf4a2efe052e1e6040fe62f7ac29a8d7 [0,1,0,1,0,0|2,0,0]=4 12265 B13R1.2565 CCCC(=O)CN1C(CCC1C)C 585d46f265926bd7d1d29a1cde39a049 [0,1,0,1,0,0|2,0,0]=4 12266 B13R1.2565 CCCC(=O)CN1[C@@H](CC[C@@H]1C)C 767a0410b8e39e08f2eab09541964f6c [0,1,0,1,0,0|2,0,0]=4 12267 B13R1.2565 CCCC(=O)CN1[C@@H](CC[C@H]1C)C 083f172bd3ee7fd5cbb88bb7b7fc5a8e [0,1,0,1,0,0|2,0,0]=4 12268 B13R1.2565 CCCC(=O)CN1[C@H](CC[C@@H]1C)C 83937b417ec32712175ad131284264aa [0,1,0,1,0,0|2,0,0]=4 12269 B13R1.3130 CCCC(=O)COC(C)C1CCC1 8c5edc139f1e8e876861a419866b1f4a [0,1,0,1,0,0|2,0,0]=4 12270 B13R1.3130 CCCC(=O)CO[C@@H](C)C1CCC1 331c9256c92d9de92cd59055036b9315 [0,1,0,1,0,0|2,0,0]=4 12271 B13R1.3130 CCCC(=O)OCN(C)C1CCC1 4eb3d7c8ff25cf81a67862d9b7bae2fd [0,1,0,1,0,0|1,0,0]=3 12272 B13R1.3130 CCCC(=O)OCN(C)C1COC1 bce14b175b9f9bf83f22f78ceba4bca4 [0,1,0,1,0,0|2,0,0]=4 12273 B13R1.3130 CCCC(=S)OCC(=O)C1CCC1 a183218f776afd6b38aeca09a6e2c682 [0,1,0,1,0,0|0,1,1]=4 12274 B13R1.3130 CCOC(=O)OCN(C)C1CCC1 4eda6fd0c644a0b57e5ae24d12276261 [0,1,0,1,0,0|2,0,0]=4 12275 B13R1.3130 CCSC(=O)OCN(C)C1CCC1 8b07b05fede3a7a254d64ea031767085 [0,1,0,1,0,0|2,0,0]=4 12276 B13R1.3132 CCCC(=O)COC(C)CC1CC1 67f589cf24697bfa3dc2a9afc0b8fe4e [0,1,0,1,0,0|2,0,0]=4 12277 B13R1.3132 CCCC(=O)OCN(C)CC1CC1 5e4fbb49ac688311447017498ff0c86f [0,1,0,1,0,0|1,0,0]=3 12278 B13R1.3132 CCOC(=O)OCN(C)CC1CC1 b5df8bba2735c600f27fd8d260d996b0 [0,1,0,1,0,0|2,0,0]=4 12279 B13R1.3132 CCSC(=O)OCN(C)CC1CC1 8d23ef388f0ac20a1b383b012eea8b3f [0,1,0,1,0,0|2,0,0]=4 12280 B13R1.3581 CCCCC(=O)N[C@H]1C[C@@H]1COC 0fca16982238083b22342326b23713b5 [0,1,0,1,0,0|2,0,0]=4 12281 B13R1.3581 CCCCC(=O)N[C@H]1C[C@H]1COC e02fe563b0c98256919fc079247db523 [0,1,0,1,0,0|2,0,0]=4 12282 B13R1.3581 CCCNC(=O)N[C@H]1C[C@@H]1COC 4a32857acf53e012cadf2ba70233181c [0,1,0,1,0,0|2,0,0]=4 12283 B13R1.3581 CCCNC(=O)N[C@H]1C[C@H]1COC c0dbd4dcef8517e5e26fe10d5ea80671 [0,1,0,1,0,0|2,0,0]=4 12284 B13R1.3581 CCOCC(=O)N[C@H]1C[C@@H]1COC 3c0026bdc59230a603719562d3c6914b [0,1,0,1,0,0|2,0,0]=4 12285 B13R1.3581 CCOCC(=O)N[C@H]1C[C@H]1COC 9b9b00f9aad037bf38a5b3b4b554fc79 [0,1,0,1,0,0|2,0,0]=4 12286 B13R1.3581 CCSCC(=O)N[C@H]1C[C@@H]1COC c8bd998225c588ed40bff6ec800c13d1 [0,1,0,1,0,0|2,0,0]=4 12287 B13R1.3581 CCSCC(=O)N[C@H]1C[C@H]1COC 0f81dd393ec60d800919ad9c79364374 [0,1,0,1,0,0|2,0,0]=4 12288 B13R1.3581 COCCC(=O)N[C@H]1C[C@@H]1COC 657e0bdcb6cc7fa6e5bff78443edde07 [0,1,0,1,0,0|2,0,0]=4 12289 B13R1.3581 COCCC(=O)N[C@H]1C[C@H]1COC f44f0fd8a03994cae4499d7af5951e15 [0,1,0,1,0,0|2,0,0]=4 12290 B13R1.3581 COC[C@@H]1C[C@@H]1NC(=O)CCCF ab3a9099774c00b7303d4c221ed9f067 [0,1,0,1,0,0|2,0,0]=4 12291 B13R1.3581 COC[C@@H]1C[C@@H]1NC(=O)CCCS 6635de5ac0ba7d667a8f189ebd80fb33 [0,1,0,1,0,0|2,0,0]=4 12292 B13R1.3581 COC[C@@H]1C[C@@H]1NC(=O)CCSC fcfeea40bf9214f6414c56b25514da2a [0,1,0,1,0,0|2,0,0]=4 12293 B13R1.3581 COC[C@H]1C[C@@H]1NC(=O)CCCF 28dc5f524e8633c9c9a21f4a4bcabd34 [0,1,0,1,0,0|2,0,0]=4 12294 B13R1.3581 COC[C@H]1C[C@@H]1NC(=O)CCCS 96fb876ada498314e738a6b6a80405c9 [0,1,0,1,0,0|2,0,0]=4 12295 B13R1.3581 COC[C@H]1C[C@@H]1NC(=O)CCSC 52575c72693bdfc98f22f70bbd2f4fcf [0,1,0,1,0,0|2,0,0]=4 12296 B13R1.16 CCCOCC1CCCC(=O)N1C 0174e0fff5b109abbf232ffdc7d92a2a [0,1,0,1,0,0|2,0,0]=4 12297 B13R1.47 CCCC(=O)N(C)C1CCCCC1 b36c53688691bb09c375eb31ce0782e1 [0,1,0,1,0,0|1,0,0]=3 12298 B13R1.47 CCCC(=O)N(C)C1CCCOC1 c8bc22aed25b8371a752ef5ad40fd594 [0,1,0,1,0,0|2,0,0]=4 12299 B13R1.47 CCCC(=O)N(C)C1CCOCC1 a9c9a0cc11b481a5312b1566a3a2e4ef [0,1,0,1,0,0|2,0,0]=4 12300 B13R1.47 CN(C(=O)CCF)C1CCCCC1 3427d039ecf9707016041849c0720fe4 [0,1,0,1,0,0|2,0,0]=4 12301 B13R1.47 CN(C(=O)CCO)C1CCCCC1 5d90a48a3230e2cf1b18423595404bfb [0,1,0,1,0,0|2,0,0]=4 12302 B13R1.47 CN(C(=O)CCS)C1CCCCC1 788cb016a1bec2d05459a328be0dbbef [0,1,0,1,0,0|2,0,0]=4 12303 B13R1.47 COCC(=O)N(C)C1CCCCC1 0984ef1bd287c6336d69b99970d87038 [0,1,0,1,0,0|2,0,0]=4 12304 B13R1.47 CSCC(=O)N(C)C1CCCCC1 9be72b3a7402f2490c4751162eacba9d [0,1,0,1,0,0|2,0,0]=4 12305 B13R1.66 CCCC(=O)C(=O)NC1CCCC1 6b2411d7320c473c1ea305eff6ecc455 [0,1,0,1,0,0|2,0,0]=4 12306 B13R1.66 CCCC(=O)N(C)CC1CCCC1 f33851383d522ad4182f9d9d8adc76cc [0,1,0,1,0,0|1,0,0]=3 12307 B13R1.66 CCCC(=O)N(C)CC1CCCO1 819d6c9e15c7e6ec73a8acfe8fce922f [0,1,0,1,0,0|2,0,0]=4 12308 B13R1.66 CCCC(=O)N(C)CC1CCOC1 2b60c792c46eba120520be773570cb0e [0,1,0,1,0,0|2,0,0]=4 12309 B13R1.66 CN(CC1CCCC1)C(=O)CCF 70c46728843431a277f291f1cfd69fe7 [0,1,0,1,0,0|2,0,0]=4 12310 B13R1.66 CN(CC1CCCC1)C(=O)CCO 6e063475d293a94cf5716baf6dffb9da [0,1,0,1,0,0|2,0,0]=4 12311 B13R1.66 CN(CC1CCCC1)C(=O)CCS 61d5c71d7c3cbc4cb14bc4391752971d [0,1,0,1,0,0|2,0,0]=4 12312 B13R1.66 COCC(=O)N(C)CC1CCCC1 c60ba086ca3000854c21fd028bf64312 [0,1,0,1,0,0|2,0,0]=4 12313 B13R1.66 CSCC(=O)N(C)CC1CCCC1 1cfd8368239579312c28a6f228cbcad2 [0,1,0,1,0,0|2,0,0]=4 12314 B13R1.361 CCCC(=O)N1CCC(C1)CCC 00df26384b8f2cf02a63d202c0b332ed [0,1,0,1,0,0|1,0,0]=3 12315 B13R1.361 CCCC(=O)N1CCC(C1)CCO a95faf0abeb8174e177ebee9253e678e [0,1,0,1,0,0|2,0,0]=4 12316 B13R1.361 CCCC(=O)N1CCC(C1)COC b06c23be58918f05c852a7a13d8b8c30 [0,1,0,1,0,0|2,0,0]=4 12317 B13R1.361 CCCC(=O)N1CC[C@@H](C1)COC 3c57c8e35cde494c1e4c4f226f637859 [0,1,0,1,0,0|2,0,0]=4 12318 B13R1.361 CCCC(=O)N1CC[C@@H](C1)OCC 4ab20818e7da17f01c35f719cc88a547 [0,1,0,1,0,0|2,0,0]=4 12319 B13R1.361 CCCC(=O)N1CC[C@H](C1)COC d0526550129b67eaeb108e7429ce2a24 [0,1,0,1,0,0|2,0,0]=4 12320 B13R1.361 CCCC(=O)N1CC[C@H](C1)OCC 5ace6cf3227bcb9cc5c362a18b20c9a2 [0,1,0,1,0,0|2,0,0]=4 12321 B13R1.361 CCCC1CCN(C1)C(=O)CCF d2cc77c5a52dc15a1d0a9aab516f32da [0,1,0,1,0,0|2,0,0]=4 12322 B13R1.361 CCCC1CCN(C1)C(=O)CCO b4d02836bd34f3e47e027a280c738826 [0,1,0,1,0,0|2,0,0]=4 12323 B13R1.361 CCCC1CCN(C1)C(=O)CCS 8839ac0b621cf5b34eee1247409ff256 [0,1,0,1,0,0|2,0,0]=4 12324 B13R1.361 CCCC1CCN(C1)C(=O)COC b8315fcbeb5d1feecc8b0afc157dd1b7 [0,1,0,1,0,0|2,0,0]=4 12325 B13R1.361 CCCC1CCN(C1)C(=O)CSC b30a0d805b87011558cc682eb74f2b9b [0,1,0,1,0,0|2,0,0]=4 12326 B13R1.460 CCC1CCCN(C1)C(=O)CCF 35151825e23b1280742f076f4f53c369 [0,1,0,1,0,0|2,0,0]=4 12327 B13R1.460 CCC1CCCN(C1)C(=O)CCO af03ce6fcf125d4583c66880dde490a5 [0,1,0,1,0,0|2,0,0]=4 12328 B13R1.460 CCC1CCCN(C1)C(=O)CCS bec0b9ae5181c984aae0216ecff19f77 [0,1,0,1,0,0|2,0,0]=4 12329 B13R1.460 CCC1CCCN(C1)C(=O)COC 8d053f2ed2eb36c255618716c116f4fb [0,1,0,1,0,0|2,0,0]=4 12330 B13R1.460 CCC1CCCN(C1)C(=O)CSC 3d1e7ba9536d6139419b8b7c1d8d41c4 [0,1,0,1,0,0|2,0,0]=4 12331 B13R1.460 CCCC(=O)N1CCCC(C1)CC d926d7a7d9f35d8d2a68a781af3cd6f5 [0,1,0,1,0,0|1,0,0]=3 12332 B13R1.460 CCCC(=O)N1CCCC(C1)CO 6538b1f4f39b0ac49b10ccf8de58c94a [0,1,0,1,0,0|2,0,0]=4 12333 B13R1.460 CCCC(=O)N1CCCC(C1)OC a226d51e9855d93df26a7009aaa94c86 [0,1,0,1,0,0|2,0,0]=4 12334 B13R1.460 CCCC(=O)N1CCC[C@@H](C1)CO 4030f9418185ec8fa2d2944b3bebba51 [0,1,0,1,0,0|2,0,0]=4 12335 B13R1.460 CCCC(=O)N1CCC[C@@H](C1)OC 96029aa67c040f637518371e8d12fb2f [0,1,0,1,0,0|2,0,0]=4 12336 B13R1.460 CCCC(=O)N1CCC[C@H](C1)CO 30620cf0d23672e5a8b98a3eb395f435 [0,1,0,1,0,0|2,0,0]=4 12337 B13R1.460 CCCC(=O)N1CCC[C@H](C1)OC 672c0d2c3753d9d066a916553576e645 [0,1,0,1,0,0|2,0,0]=4 12338 B13R1.460 CCCC(=O)N1CCOC(C1)CC 96e685a3af94668d05d1b8a6e7903eea [0,1,0,1,0,0|2,0,0]=4 12339 B13R1.460 CCCC(=O)N1CCO[C@@H](C1)CC dbcc37ba1e7589ed9baf1852edad54e6 [0,1,0,1,0,0|2,0,0]=4 12340 B13R1.460 CCCC(=O)N1CCO[C@H](C1)CC e86e9d8a6ca2d0d5ce5bcf57213af34b [0,1,0,1,0,0|2,0,0]=4 12341 B13R1.555 CCCCCNC1CCCCC1=O f38e9b26fee56e5191cec8661384d7a1 [0,1,0,1,0,0|2,0,0]=4 12342 B13R1.555 CCCCCNC1CCCNC1=O 7b53842d57374daeb08c28403da29c40 [0,1,0,1,0,0|2,0,0]=4 12343 B13R1.555 CCCCCNC1COCCC1=O 6385fa8a2a3ef5ab1d20841e5a8819bc [0,1,0,1,0,0|2,0,0]=4 12344 B13R1.555 CCCCCNC1SCCCC1=O 52c2c21efa6525f3d5236d7dad6a737d [0,1,0,1,0,0|2,0,0]=4 12345 B13R1.555 CCCCCN[C@@H]1CCCNC1=O 7acb83eedff889334812cae162ab366e [0,1,0,1,0,0|2,0,0]=4 12346 B13R1.555 CCCCCN[C@H]1CCCNC1=O 1ab29a34272034056c9d66b8a7b7579d [0,1,0,1,0,0|2,0,0]=4 12347 B13R1.555 CCCCCOC1CCCCC1=O bd8b50d106abed3c6d04832077dd35f3 [0,1,0,1,0,0|2,0,0]=4 12348 B13R1.555 CCCCCOC1CCCNC1=O 2d51138a41e7272ec61c56edb28149bf [0,1,0,1,0,0|2,0,0]=4 12349 B13R1.555 CCCCCOC1CCCOC1=O 848e64200f37edbec60eb16e1bda0757 [0,1,0,1,0,0|2,0,0]=4 12350 B13R1.555 CCCCCOC1COCCC1=O 5b47142ce79d64f1c0655c7e6bc3d9e5 [0,1,0,1,0,0|2,0,0]=4 12351 B13R1.555 CCCCCOC1SCCCC1=O 3d2864d81fe95d7f4406ea4ea6e1082c [0,1,0,1,0,0|2,0,0]=4 12352 B13R1.555 CCCCCO[C@@H]1CCCNC1=O 1a13cd5fec5a4bdb6d90ba968ce1ad02 [0,1,0,1,0,0|2,0,0]=4 12353 B13R1.555 CCCCCO[C@H]1CCCNC1=O 386f96045d8972abec56e72fea49c735 [0,1,0,1,0,0|2,0,0]=4 12354 B13R1.555 CCCCOCC1=CCCCC1=O a66a672c660bafbe08fa3176c485f16a [0,1,0,1,0,0|2,0,0]=4 12355 B13R1.555 CCCCOCC1CCCCC1=O f4f299f14f8860858e5b1cea01bed6f8 [0,1,0,1,0,0|2,0,0]=4 12356 B13R1.555 CCCCOCC1CCCNC1=O d7fb44d1a315c3c25dffb7c99251dc3f [0,1,0,1,0,0|2,0,0]=4 12357 B13R1.555 CCCNCCN1CCCCC1=O ea3318a0d515c9984928bc96af0ab557 [0,1,0,1,0,0|2,0,0]=4 12358 B13R1.555 CCNCCCN1CCCCC1=O 2fb8aea51a810d0379bc9df12a576f21 [0,1,0,1,0,0|2,0,0]=4 12359 B13R1.1253 CCCN1CCN(C(=O)C1CC)C 6027af67c8335c693753a58b42eac7d1 [0,1,0,1,0,0|2,0,0]=4 12360 B13R1.1313 CCCCCNC(=O)C(=O)C1CC1 f6c32e6b2061b0cfcae7e9054eb2e186 [0,1,0,1,0,0|2,0,0]=4 12361 B13R1.1313 CCCCCNC(C)C(=O)C1CC1 19c1c3e7bea92a2d0e7dac7c9902c2c1 [0,1,0,1,0,0|2,0,0]=4 12362 B13R1.1313 CCCCCOC(C)C(=O)C1CC1 b4d430d3079993ca9928b2e3f37aa63e [0,1,0,1,0,0|2,0,0]=4 12363 B13R1.2909 CCCC(=O)C(=O)N1CCCC1C f7ef696fe55f05a99aada8728220c7a5 [0,1,0,1,0,0|2,0,0]=4 12364 B13R1.2909 CCCC(=O)C(=O)N1CCC[C@@H]1C 176b915837c40ca7c0e31058521bd06d [0,1,0,1,0,0|2,0,0]=4 12365 B13R1.2909 CCCC(=O)C(=O)N1CCC[C@H]1C 75d190ac55ce06d93053d968f7d7142f [0,1,0,1,0,0|2,0,0]=4 12366 B13R1.2909 CCCC(=O)N(C)[C@@H]1CCC[C@@H]1O 2a034bf5a6a93f9ef3d2751de011accc [0,1,0,1,0,0|2,0,0]=4 12367 B13R1.2909 CCCC(=O)N(C)[C@@H]1CCC[C@H]1O fa1d520de7cbfff863fbf2dfd19a1156 [0,1,0,1,0,0|2,0,0]=4 12368 B13R1.2909 CCCC(=O)N(C)[C@H]1CCC[C@H]1O bd8844241c8f2cfebf99a199edd20990 [0,1,0,1,0,0|2,0,0]=4 12369 B13R1.2910 CCCC(=O)C(=O)N1CCC1CC 908602df2f2fbb4527398c38fdaf8a4a [0,1,0,1,0,0|2,0,0]=4 12370 B13R1.2966 CCCC(=O)C(=O)NCC1CCC1 b24ab4f2568dfa63aaa32ea66df862d5 [0,1,0,1,0,0|2,0,0]=4 12371 B13R1.2966 CCCC(=O)N(C)CCC1CCC1 4181f71a295457bf8aaf8964075ba4be [0,1,0,1,0,0|1,0,0]=3 12372 B13R1.2966 CCCC(=O)N(C)CCC1COC1 bcea6789fbcf2578239b6eab91dcd708 [0,1,0,1,0,0|2,0,0]=4 12373 B13R1.2966 CN(CCC1CCC1)C(=O)CCF e56eeffa00f9d6fab77efda6a940334f [0,1,0,1,0,0|2,0,0]=4 12374 B13R1.2966 CN(CCC1CCC1)C(=O)CCO de81b18cb3cdc094eaa557586a715074 [0,1,0,1,0,0|2,0,0]=4 12375 B13R1.2966 CN(CCC1CCC1)C(=O)CCS 2dda4a39935e21e5ec4e3cfea8a2b18d [0,1,0,1,0,0|2,0,0]=4 12376 B13R1.2966 COCC(=O)N(C)CCC1CCC1 a73ec1cf977562a6a1954c949b5e4a8c [0,1,0,1,0,0|2,0,0]=4 12377 B13R1.2966 CSCC(=O)N(C)CCC1CCC1 0d138e05a9cf8ff1313b0ffff2b159bd [0,1,0,1,0,0|2,0,0]=4 12378 B13R1.2967 CCCC(=O)C(=O)NCCC1CC1 906827f1fa501f2ac91f60dc8e308853 [0,1,0,1,0,0|2,0,0]=4 12379 B13R1.2968 CCCC(=O)C(=O)N[C@@H]1CC[C@H]1C feccb8503d27d1aabf9ac0cde4602097 [0,1,0,1,0,0|2,0,0]=4 12380 B13R1.2968 CCCC(=O)C(=O)N[C@H]1CC[C@H]1C d669b65a594534d7c4ead5273b747c70 [0,1,0,1,0,0|2,0,0]=4 12381 B13R1.4964 CCCCOCC1(CCCC1=O)C 45d480d890aac01fa7efe71cada50d16 [0,1,0,1,0,0|2,0,0]=4 12382 B13R1.28 CCCCCCOC1C=CCCC1 ff73fe5be598e22d82da57c6da79e0f9 [0,1,0,1,0,0|1,0,1]=4 12383 B13R1.28 CCCCCCOC1CCCCC1 1d20425a6b3cd8a5e733836108fa8926 [0,1,0,1,0,0|1,0,1]=4 12384 B13R1.28 CCCCCCOC1CCCCO1 b3a5eba44eef20e00df29acd37a377cc [0,1,0,1,0,0|0,0,2]=4 12385 B13R1.28 CCCCCCOC1CCCOC1 c1c088db15b063da60df98020e80f7f7 [0,1,0,1,0,0|0,0,2]=4 12386 B13R1.28 CCCCCCOC1CCCSC1 4075bb24f6cf322e01298fe5589b0f5d [0,1,0,1,0,0|0,1,1]=4 12387 B13R1.28 CCCCCCOC1CCOCC1 8856070541fdd3772c69e0853813455e [0,1,0,1,0,0|1,0,1]=4 12388 B13R1.28 CCCCCCOC1CCSCC1 0edfa5dc04fe9845e91c005a98fea447 [0,1,0,1,0,0|1,0,1]=4 12389 B13R1.28 CCCCCCO[C@@H]1CCCOC1 93deb879cbe5d4b3f93c266a9946f2ef [0,1,0,1,0,0|0,0,2]=4 12390 B13R1.28 CCCCCCO[C@H]1CCCOC1 16c012f666902a33d4cf2bbdcf868389 [0,1,0,1,0,0|0,0,2]=4 12391 B13R1.79 C#CC(CCC)OC1CCCCC1 dc97e9eb7f5c689b2ec4e7ac7352cd64 [0,1,0,1,0,0|1,0,1]=4 12392 B13R1.79 C=CC(CCC)OC1CCCCC1 6797f3eaa20a33b506fce7eadacd85e1 [0,1,0,1,0,0|1,0,1]=4 12393 B13R1.79 CCCC(C#N)OC1CCCCC1 abd7c290ab1f198ffc5d192f5d98e913 [0,1,0,1,0,0|1,0,1]=4 12394 B13R1.79 CCCC(CC)OC1CCCCC1 e4ba327a74e93dd265afe2ab224b0694 [0,1,0,1,0,0|1,0,1]=4 12395 B13R1.79 CCC[C@@H](CC)OC1CCCCC1 802a217d55253fe8c5be8ca197c77e95 [0,1,0,1,0,0|1,0,1]=4 12396 B13R1.175 CCCC(CC)OCCCC1CC1 a3e675a33dcd9e0e34255974fb713104 [0,1,0,1,0,0|1,0,1]=4 12397 B13R1.181 C#CC(CCC)OCCC1CCC1 93aff7315b11a4031a7e0779f08b39be [0,1,0,1,0,0|1,0,1]=4 12398 B13R1.181 C=CC(CCC)OCCC1CCC1 0f066b44a6a937719a0c630a31e6dc96 [0,1,0,1,0,0|1,0,1]=4 12399 B13R1.181 CCCC(C#N)OCCC1CCC1 a127d5f53827d01f7a90c1c66b0fca41 [0,1,0,1,0,0|1,0,1]=4 12400 B13R1.181 CCCC(CC)OCCC1CCC1 9a4cee7f56a12fe1bf155f2ba67df945 [0,1,0,1,0,0|1,0,1]=4 12401 B13R1.181 CCC[C@@H](CC)OCCC1CCC1 e58ff37687545352fbe957584dfabede [0,1,0,1,0,0|1,0,1]=4 12402 B13R1.184 CCCC(CC)OC1CCCC1C 484219766f7579a2a6793a8baa28a5f3 [0,1,0,1,0,0|1,0,1]=4 12403 B13R1.184 CCCC(CC)O[C@@H]1CCC[C@@H]1C f77e3168d6630cd00ba11b6d39715a0b [0,1,0,1,0,0|1,0,1]=4 12404 B13R1.184 CCCC(CC)O[C@@H]1CCC[C@H]1C e1ad111b96dcc58192055a76b7a3c674 [0,1,0,1,0,0|1,0,1]=4 12405 B13R1.184 CCCC(CC)O[C@H]1CCC[C@@H]1C 41d549b5d7ba075d192227db7c12113f [0,1,0,1,0,0|1,0,1]=4 12406 B13R1.184 CCCC(CC)O[C@H]1CCC[C@H]1C efeea0b42ae345052410424dca694064 [0,1,0,1,0,0|1,0,1]=4 12407 B13R1.694 C#CC(CCC)OCC1CCCC1 254d2254488aaba59187448def5fa21d [0,1,0,1,0,0|1,0,1]=4 12408 B13R1.694 C=CC(CCC)OCC1CCCC1 86b8ce02355f8610145a85e02c84e68b [0,1,0,1,0,0|1,0,1]=4 12409 B13R1.694 CCCC(C#N)OCC1CCCC1 1f19fdf4baca2de85ada5a25dd28425a [0,1,0,1,0,0|1,0,1]=4 12410 B13R1.694 CCCC(CC)OCC1CCCC1 6df5df21345055f2100e52d6bf037007 [0,1,0,1,0,0|1,0,1]=4 12411 B13R1.694 CCC[C@@H](CC)OCC1CCCC1 934c9ce335f98a94c152d89188e7516a [0,1,0,1,0,0|1,0,1]=4 12412 B13R1.1138 CCCCCCOC(C#N)C1CC1 12ddf45a9c8f94eb7a3a473940e6ba3a [0,1,0,1,0,0|1,0,1]=4 12413 B13R1.1138 CCCCCCOC(CC)C1CC1 46f6f025f1ee9ff2a8ab477569f59300 [0,1,0,1,0,0|1,0,1]=4 12414 B13R1.44 CCCCC(=O)NC1CCCOC1 99f08b6ee5f8e41579b3bed011f8ef2e [0,1,0,1,0,0|2,0,0]=4 12415 B13R1.44 CCCCC(=O)NC1CCOCC1 7281afc20af41cd0832d691a52d57dfe [0,1,0,1,0,0|2,0,0]=4 12416 B13R1.44 CCCCC(=O)NC1CCSCC1 6258fc827cb27fb282e69d28b8a5de99 [0,1,0,1,0,0|2,0,0]=4 12417 B13R1.44 CCCCC(=O)N[C@@H]1CCCOC1 307209539214e79868c3ba4a2b69bdee [0,1,0,1,0,0|2,0,0]=4 12418 B13R1.44 CCCCC(=O)N[C@H]1CCCOC1 ae47b8bcbaee33fc60d3b2fced32699e [0,1,0,1,0,0|2,0,0]=4 12419 B13R1.44 CCCCC(C)OC1CCCCC1 21383e192ba41097e41cc07682769f5e [0,1,0,1,0,0|1,0,1]=4 12420 B13R1.44 CCCC[C@@H](C)OC1CCCCC1 7b1d4aa36a01e59ea60845843848304f [0,1,0,1,0,0|1,0,1]=4 12421 B13R1.44 CCCC[C@H](C)OC1CCCCC1 384a98348578ae3153d9787fde628e1a [0,1,0,1,0,0|1,0,1]=4 12422 B13R1.44 CCCNC(=O)C=C1CCCCC1 7bdb47035973ce36ebf6d4adb107b4b3 [0,1,0,1,0,0|1,0,1]=4 12423 B13R1.44 CCCNC(=O)CC1CCCCC1 9374f2dbd591375e1e4db10bea5f7d21 [0,1,0,1,0,0|1,0,0]=3 12424 B13R1.44 CCCNC(=O)CC1CCCCO1 e941d4b810b32e33bce6c9df2ffbd4f1 [0,1,0,1,0,0|2,0,0]=4 12425 B13R1.44 CCCNC(=O)CC1CCCOC1 d9ea44e04aacf664a4ee63fc1a63ab20 [0,1,0,1,0,0|2,0,0]=4 12426 B13R1.44 CCCNC(=O)CC1CCOCC1 3031049f2488357c8e6d83483f22918d [0,1,0,1,0,0|2,0,0]=4 12427 B13R1.44 CCCNC(=O)CC1CCSCC1 a03c66170d4af23b99bb9195784c7cf8 [0,1,0,1,0,0|2,0,0]=4 12428 B13R1.44 CCCNC(=O)CN1CCCCC1 623027fd73ea4abfc3a4e02ff131ee6d [0,1,0,1,0,0|2,0,0]=4 12429 B13R1.44 CCCNC(=O)NC1CCCOC1 b4255b861c35b6268e6332bfb18665ba [0,1,0,1,0,0|2,0,0]=4 12430 B13R1.44 CCCNC(=O)NC1CCOCC1 d77675fa67e20fae6e47697433d74de2 [0,1,0,1,0,0|2,0,0]=4 12431 B13R1.44 CCCNC(=O)NC1CCSCC1 059c86c00f7c837c4b4c73bbe20b9d08 [0,1,0,1,0,0|2,0,0]=4 12432 B13R1.44 CCCNC(=O)N[C@@H]1CCCOC1 1ed07a9c004b752c6b1d98176d25d17e [0,1,0,1,0,0|2,0,0]=4 12433 B13R1.44 CCCNC(=O)N[C@H]1CCCOC1 87cdf2c598b7356f71ea4b6c675f95fe [0,1,0,1,0,0|2,0,0]=4 12434 B13R1.44 CCNCC(=O)NC1CCCCC1 d8f180ca6c1f9361bf4764ae7ad4f9ca [0,1,0,1,0,0|1,0,0]=3 12435 B13R1.44 CCOCC(=O)NC1CCCOC1 473a226d6783cde11e47384d57067ee0 [0,1,0,1,0,0|2,0,0]=4 12436 B13R1.44 CCOCC(=O)NC1CCOCC1 41084fd739d55ea89efc8dee8a343337 [0,1,0,1,0,0|2,0,0]=4 12437 B13R1.44 CCOCC(=O)N[C@@H]1CCCOC1 c7e0f6c083eceb1513c9c50bab256eab [0,1,0,1,0,0|2,0,0]=4 12438 B13R1.44 CCOCC(=O)N[C@H]1CCCOC1 55286f5331705402beb7b848aafc170c [0,1,0,1,0,0|2,0,0]=4 12439 B13R1.44 CCOCC(C)OC1CCCCC1 4e1ddd7ccd60556e6340085d3ee6356a [0,1,0,1,0,0|1,0,1]=4 12440 B13R1.44 CCSCC(=O)NC1CCCOC1 c7669e648c8f3c7fab27d4cafb59334b [0,1,0,1,0,0|2,0,0]=4 12441 B13R1.44 CCSCC(=O)NC1CCOCC1 fd5f0a2e9abadd6796a9e02b617ca118 [0,1,0,1,0,0|2,0,0]=4 12442 B13R1.44 CCSCC(=O)N[C@@H]1CCCOC1 96c72eedeb123ed5c15e7774e5a9b591 [0,1,0,1,0,0|2,0,0]=4 12443 B13R1.44 CCSCC(=O)N[C@H]1CCCOC1 26994fd7024a419e520095c825cb437f [0,1,0,1,0,0|2,0,0]=4 12444 B13R1.44 COCCC(=O)NC1CCCOC1 c8ce9947e9fe86b0b3a124b883251dc5 [0,1,0,1,0,0|2,0,0]=4 12445 B13R1.44 COCCC(=O)NC1CCOCC1 88f0fd305ed429a430f95d16d53d5f41 [0,1,0,1,0,0|2,0,0]=4 12446 B13R1.44 COCCC(=O)N[C@@H]1CCCOC1 e359a589f50370927ffb95431387ad1f [0,1,0,1,0,0|2,0,0]=4 12447 B13R1.44 COCCC(=O)N[C@H]1CCCOC1 834f5863f2c424b104ff54fefca51e3e [0,1,0,1,0,0|2,0,0]=4 12448 B13R1.44 COCCC(C)OC1CCCCC1 45f34ccf78806a640dd141fd058882fc [0,1,0,1,0,0|1,0,1]=4 12449 B13R1.44 CSCCC(=O)NC1CCCOC1 dbb418d85b682e7b3d77643119d08ee1 [0,1,0,1,0,0|2,0,0]=4 12450 B13R1.44 CSCCC(=O)NC1CCOCC1 0499dd1e69218286247dd158a362d5a4 [0,1,0,1,0,0|2,0,0]=4 12451 B13R1.44 CSCCC(=O)N[C@@H]1CCCOC1 4bc0faf42397f5be8de42344d2a2703f [0,1,0,1,0,0|2,0,0]=4 12452 B13R1.44 CSCCC(=O)N[C@H]1CCCOC1 f85c77ffec24b6ead006b5c09287e580 [0,1,0,1,0,0|2,0,0]=4 12453 B13R1.44 N#CNCC(=O)OC1CCCCC1 089017fd6ad7c8389f3628d393570969 [0,1,0,1,0,0|1,0,1]=4 12454 B13R1.44 O=C(CC1CCCCC1)NCCBr 1ec1366a0512281cb45640fade075db0 [0,1,0,1,0,0|2,0,0]=4 12455 B13R1.44 O=C(CC1CCCCC1)NCCF bcea538a1fecdc0048b6a219b56a0845 [0,1,0,1,0,0|2,0,0]=4 12456 B13R1.44 O=C(CC1CCCCC1)NCCI 5b9d13184d86414a84c4153f39843255 [0,1,0,1,0,0|2,0,0]=4 12457 B13R1.44 O=C(CC1CCCCC1)NCCO 0ee5294e951dfb93522528ace8422f4f [0,1,0,1,0,0|2,0,0]=4 12458 B13R1.44 O=C(CC1CCCCC1)NCCS 84aaa436fd58545dddd6c20a6f018745 [0,1,0,1,0,0|2,0,0]=4 12459 B13R1.44 O=C(CCCF)NC1CCCOC1 f8041f4bebc3901c03063701ae534558 [0,1,0,1,0,0|2,0,0]=4 12460 B13R1.44 O=C(CCCF)NC1CCOCC1 4633ada5f3459640f3ca4ba481845409 [0,1,0,1,0,0|2,0,0]=4 12461 B13R1.44 O=C(CCCF)N[C@@H]1CCCOC1 01be51bd491b56436721a24aeb9ca63e [0,1,0,1,0,0|2,0,0]=4 12462 B13R1.44 O=C(CCCF)N[C@H]1CCCOC1 29e21d7dc37da9de3987ac8c71b48bbd [0,1,0,1,0,0|2,0,0]=4 12463 B13R1.44 O=C(CCCS)NC1CCCOC1 8689ab61ac59263769e3da2e57f7b85a [0,1,0,1,0,0|2,0,0]=4 12464 B13R1.44 O=C(CCCS)NC1CCOCC1 ef64dcce10eccf302ca92aaba51eed7d [0,1,0,1,0,0|2,0,0]=4 12465 B13R1.44 O=C(CCCS)NC1CCSCC1 15648929944240439165d1a561c2e760 [0,1,0,1,0,0|2,0,0]=4 12466 B13R1.44 O=C(CCCS)N[C@@H]1CCCOC1 47d2f0ed654d13e941e6696e80d9f983 [0,1,0,1,0,0|2,0,0]=4 12467 B13R1.44 O=C(CCCS)N[C@H]1CCCOC1 13b357644f89d338f81a91f3fd3cb70a [0,1,0,1,0,0|2,0,0]=4 12468 B13R1.44 O=C(CNCF)NC1CCCCC1 6ae98a6a6b8d653e0ab07f25a7f57797 [0,1,0,1,0,0|2,0,0]=4 12469 B13R1.44 O=C(CNCO)NC1CCCCC1 1b9657306b49b27c029e38e70684bbef [0,1,0,1,0,0|2,0,0]=4 12470 B13R1.73 CCCCN1CCC(=O)CC1CO 52276f50d8f52043448ac288682a8c36 [0,1,0,1,0,0|2,0,0]=4 12471 B13R1.73 CCCCN1CNC(=O)CC1CO 1eaaa2018bd8e49d8f6bdb2b3876225c [0,1,0,1,0,0|2,0,0]=4 12472 B13R1.656 CCCCCN1CC(=O)NCC1C 3be4adbf2c3fc3c4bc6a07d3c981f130 [0,1,0,1,0,0|2,0,0]=4 12473 B13R1.656 CCCCCN1CC(=O)NC[C@@H]1C 34a3508074def24600c11503ee57e1e8 [0,1,0,1,0,0|2,0,0]=4 12474 B13R1.656 CCCCCN1CC(=O)NC[C@H]1C 7884759c15cdcbca2e6786f0047d65c8 [0,1,0,1,0,0|2,0,0]=4 12475 B13R1.674 C#CCCC(=O)N1CCCCC1C 36090860e97ce2af2754c66f8304c89f [0,1,0,1,0,0|1,0,1]=4 12476 B13R1.674 C#CCCC(=O)N1CCCC[C@@H]1C 95b3a6e718b9eb7a7664cd421ac50bbe [0,1,0,1,0,0|1,0,1]=4 12477 B13R1.674 C#CCCC(=O)N1CCCC[C@H]1C 53017f96417f2729bb8646947c310bbe [0,1,0,1,0,0|1,0,1]=4 12478 B13R1.674 C/C=C/CC(=O)N1CCCCC1C 9fc213314b3820184b58df326970dfdc [0,1,0,1,0,0|1,0,1]=4 12479 B13R1.674 C/C=C/CC(=O)N1CCCC[C@@H]1C a746e9f3fd7509989d9b231681273f4c [0,1,0,1,0,0|1,0,1]=4 12480 B13R1.674 C/C=C/CC(=O)N1CCCC[C@H]1C 3a4308e9b8c5e5d5e6e2ae06fc928598 [0,1,0,1,0,0|1,0,1]=4 12481 B13R1.674 C=CCCC(=O)N1CCCCC1C 906b966d8ae6f2af55a203f85570810c [0,1,0,1,0,0|1,0,1]=4 12482 B13R1.674 C=CCCC(=O)N1CCCC[C@@H]1C c63807566a94444ad908ec6ff898853e [0,1,0,1,0,0|1,0,1]=4 12483 B13R1.674 C=CCCC(=O)N1CCCC[C@H]1C 0420a3911dac8fb0391e81a97019120b [0,1,0,1,0,0|1,0,1]=4 12484 B13R1.674 CC#CCC(=O)N1CCCCC1C b0fb06bc21c6528eefa0ccf739ee5257 [0,1,0,1,0,0|1,0,1]=4 12485 B13R1.674 CC#CCC(=O)N1CCCC[C@@H]1C da2061ba4aa99dffed45d883a402de78 [0,1,0,1,0,0|1,0,1]=4 12486 B13R1.674 CC#CCC(=O)N1CCCC[C@H]1C c7dc176cbd5540cf7d49b1fd0c6882de [0,1,0,1,0,0|1,0,1]=4 12487 B13R1.674 CC/C=C/C(=O)N1CCCCC1C a9286dabe12becedc7d0f2c65ddcc5dd [0,1,0,1,0,0|1,0,1]=4 12488 B13R1.674 CC/C=C/C(=O)N1CCCC[C@@H]1C 1163520cb34723cbd6460b358fd00ef5 [0,1,0,1,0,0|1,0,1]=4 12489 B13R1.674 CC/C=C/C(=O)N1CCCC[C@H]1C 2fed87d8bc6aa4315c6d8c8f7cad3a79 [0,1,0,1,0,0|1,0,1]=4 12490 B13R1.674 CC/C=C\C(=O)N1CCCCC1C 7e762c9957179d072a3e76fae5432c10 [0,1,0,1,0,0|1,0,1]=4 12491 B13R1.674 CC/C=C\C(=O)N1CCCC[C@@H]1C 23b5adb47981c9acd403b97fc95bc1b8 [0,1,0,1,0,0|1,0,1]=4 12492 B13R1.674 CC/C=C\C(=O)N1CCCC[C@H]1C a315812dcfe9490951f562b27aa8f6bb [0,1,0,1,0,0|1,0,1]=4 12493 B13R1.674 CC1CCCCN1C(=O)CCC#N 6a95fb5f927fe51357d74bb2a4cfc237 [0,1,0,1,0,0|1,0,1]=4 12494 B13R1.674 CC1CCCCN1C(=O)CCC=O 16c8df6a83e9cf5fd04af2186f05ceab [0,1,0,1,0,0|1,0,1]=4 12495 B13R1.674 CC1CCCCN1C(=O)CCCF 16a06211cc0e9735899932ba9123737c [0,1,0,1,0,0|1,0,0]=3 12496 B13R1.674 CC1CCCCN1C(=O)CCCS 80fb293db9e37f9f6321ceb464859813 [0,1,0,1,0,0|1,0,0]=3 12497 B13R1.674 CC1CCCCN1C(=O)NCCF 4eaccccef36a07bbc412ec444c893734 [0,1,0,1,0,0|2,0,0]=4 12498 B13R1.674 CC1CCCCN1C(=O)NCCN a817eaed67bb8cf14e37d9967af5fb8b [0,1,0,1,0,0|2,0,0]=4 12499 B13R1.674 CC1CCCCN1C(=O)NCCO c6dbce04ccae4b325bfb7be1489c00a1 [0,1,0,1,0,0|2,0,0]=4 12500 B13R1.674 CC1CCCCN1C(=O)NCCS ab2249b64226c51b5b8faf1710d67e8e [0,1,0,1,0,0|2,0,0]=4 12501 B13R1.674 CC1COCCN1C(=O)CCCF fd3db1bba6af07bb35803695e72d1058 [0,1,0,1,0,0|2,0,0]=4 12502 B13R1.674 CC1COCCN1C(=O)CCCS ac46fdfd86230f3513096ef6d1827c14 [0,1,0,1,0,0|2,0,0]=4 12503 B13R1.674 CCC#CC(=O)N1CCCCC1C 923d7e4f791a5ff1bd5171306d2c32ff [0,1,0,1,0,0|1,0,1]=4 12504 B13R1.674 CCC#CC(=O)N1CCCC[C@@H]1C a8bdcf2ff3f9ac7666fc558deb83a46a [0,1,0,1,0,0|1,0,1]=4 12505 B13R1.674 CCC#CC(=O)N1CCCC[C@H]1C 12065f4b22a16e4b79a7b10b3969582b [0,1,0,1,0,0|1,0,1]=4 12506 B13R1.674 CCC=CC(=O)N1CCCCC1C 824d1d9af2882ad21af5a093187c9ad5 [0,1,0,1,0,0|1,0,1]=4 12507 B13R1.674 CCC=CC(=O)N1CCCC[C@@H]1C 738e761e62339a6035c9d7188916d03d [0,1,0,1,0,0|1,0,1]=4 12508 B13R1.674 CCC=CC(=O)N1CCCC[C@H]1C 1d4b0a6aa1cce76e3826a1dc62d999a2 [0,1,0,1,0,0|1,0,1]=4 12509 B13R1.674 CCCCC(=O)N1CCCCC1C a325176eebb256885907840b75a8659d [0,1,0,1,0,0|1,0,0]=3 12510 B13R1.674 CCCCC(=O)N1CCCC[C@@H]1C 38d23c08f4304c33203524b1b610cfc7 [0,1,0,1,0,0|1,0,0]=3 12511 B13R1.674 CCCCC(=O)N1CCCC[C@H]1C ad3efbe83b544196a4329fd247369986 [0,1,0,1,0,0|1,0,0]=3 12512 B13R1.674 CCCCC(=O)N1CCOCC1C 19531087a4dc43d5a02ec9641657f7cd [0,1,0,1,0,0|2,0,0]=4 12513 B13R1.674 CCCCC(=O)N1CCOC[C@@H]1C 051025f1dca601ab69df1bed483a5e80 [0,1,0,1,0,0|2,0,0]=4 12514 B13R1.674 CCCCC(=O)N1CCOC[C@H]1C 2ee99122e6281047e67194f38adc1044 [0,1,0,1,0,0|2,0,0]=4 12515 B13R1.674 CCCNC(=O)C1=CCCCC1C 1b2af39b1bd4f18d78de4246f249ec44 [0,1,0,1,0,0|1,0,1]=4 12516 B13R1.674 CCCNC(=O)C1CCCCN1C 8fc8cd291155bcb086a202a8c6a1d550 [0,1,0,1,0,0|2,0,0]=4 12517 B13R1.674 CCCNC(=O)N1CCCCC1C bb063613d01035053c61c3086dd5d013 [0,1,0,1,0,0|1,0,0]=3 12518 B13R1.674 CCCNC(=O)N1CCCC[C@@H]1C 66913cdece8216ee8f804a3dad5bf324 [0,1,0,1,0,0|1,0,0]=3 12519 B13R1.674 CCCNC(=O)N1CCCC[C@H]1C 2eb106c40f25fd915bea89a51e23330d [0,1,0,1,0,0|1,0,0]=3 12520 B13R1.674 CCCNC(=O)N1CCOCC1C 268f29af336419f521c38a11e58f824c [0,1,0,1,0,0|2,0,0]=4 12521 B13R1.674 CCCNC(=O)N1CCOC[C@@H]1C 6444fe30a469db1fb98e25edfb92f821 [0,1,0,1,0,0|2,0,0]=4 12522 B13R1.674 CCCNC(=O)N1CCOC[C@H]1C deea2e7f1392b4978ccada66a581a162 [0,1,0,1,0,0|2,0,0]=4 12523 B13R1.674 CCCNC(=O)[C@@H]1CCCCN1C 403686423fddd3ff3662b0566fe91242 [0,1,0,1,0,0|2,0,0]=4 12524 B13R1.674 CCCNC(=O)[C@H]1CCCCN1C bb51983a6ee9a244e5df8affff13d637 [0,1,0,1,0,0|2,0,0]=4 12525 B13R1.674 CCCNC(=S)N1CCCCC1C c4e2f32e6338e34eedd8a913ba87463e [0,1,0,1,0,0|1,1,0]=4 12526 B13R1.674 CCCNC(=S)N1CCCC[C@@H]1C cf3449531e3d7c045fc1d7a1592d8b0c [0,1,0,1,0,0|1,1,0]=4 12527 B13R1.674 CCCNC(=S)N1CCCC[C@H]1C 07705810efe0b50f965d8d704672efe4 [0,1,0,1,0,0|1,1,0]=4 12528 B13R1.674 CCOCC(=O)N1CCCCC1C 63db18efb523cd43f3fd6e6b00cdad87 [0,1,0,1,0,0|1,0,0]=3 12529 B13R1.674 CCOCC(=O)N1CCCC[C@@H]1C 09b7ade9bcb36425da60cd7cd4458f24 [0,1,0,1,0,0|1,0,0]=3 12530 B13R1.674 CCOCC(=O)N1CCCC[C@H]1C db6facb3cf84f4863517aff4e2566173 [0,1,0,1,0,0|1,0,0]=3 12531 B13R1.674 CCOCC(=O)N1CCOCC1C 1ef7eb5d0ffd7ad0107e7521c1897b39 [0,1,0,1,0,0|2,0,0]=4 12532 B13R1.674 CCOCC(=O)N1CCOC[C@@H]1C b48c4c4bb0d1457dfaa3aebfaaa24526 [0,1,0,1,0,0|2,0,0]=4 12533 B13R1.674 CCOCC(=O)N1CCOC[C@H]1C f66cbb2507bf24f031122fca4c32a89f [0,1,0,1,0,0|2,0,0]=4 12534 B13R1.674 CCSCC(=O)N1CCCCC1C f9a4255091a7286daddf8f8265a296f2 [0,1,0,1,0,0|1,0,0]=3 12535 B13R1.674 CCSCC(=O)N1CCCC[C@@H]1C 68988a55a146bca3aacb5283e9d9ae26 [0,1,0,1,0,0|1,0,0]=3 12536 B13R1.674 CCSCC(=O)N1CCCC[C@H]1C b9a7e6c8eb156ca54a6539eed5fd1ea9 [0,1,0,1,0,0|1,0,0]=3 12537 B13R1.674 CCSCC(=O)N1CCOCC1C cd2d6dd1c0e2c737fbba9212190c12eb [0,1,0,1,0,0|2,0,0]=4 12538 B13R1.674 CCSCC(=O)N1CCOC[C@@H]1C 541465a9885b4185a12027f50c8af85f [0,1,0,1,0,0|2,0,0]=4 12539 B13R1.674 CCSCC(=O)N1CCOC[C@H]1C 4e0cb9edd4404aa7855b845c8b82aee1 [0,1,0,1,0,0|2,0,0]=4 12540 B13R1.674 COCCC(=O)N1CCCCC1C 4e21b91d6718e2386c4cc656e26ac34c [0,1,0,1,0,0|1,0,0]=3 12541 B13R1.674 COCCC(=O)N1CCCC[C@@H]1C 23a9ba29a90bc233703c2ecb5518392e [0,1,0,1,0,0|1,0,0]=3 12542 B13R1.674 COCCC(=O)N1CCCC[C@H]1C d8966c368125e382a1401b52ffd04498 [0,1,0,1,0,0|1,0,0]=3 12543 B13R1.674 COCCC(=O)N1CCOCC1C a28d7e985f58fd82f3cec7fa57bac5f7 [0,1,0,1,0,0|2,0,0]=4 12544 B13R1.674 COCCC(=O)N1CCOC[C@@H]1C 7963e395a5aea1571fffb8b9cc62ef89 [0,1,0,1,0,0|2,0,0]=4 12545 B13R1.674 COCCC(=O)N1CCOC[C@H]1C f2ffde950d588cb13a86b9329606a9ed [0,1,0,1,0,0|2,0,0]=4 12546 B13R1.674 CSCCC(=O)N1CCCCC1C 3fe72c5fe3e28a84b6d54b44d74536b2 [0,1,0,1,0,0|1,0,0]=3 12547 B13R1.674 CSCCC(=O)N1CCCC[C@@H]1C e68f35141ad7c421b18be955c7260083 [0,1,0,1,0,0|1,0,0]=3 12548 B13R1.674 CSCCC(=O)N1CCCC[C@H]1C 29633eb3a772f795213721d262a48669 [0,1,0,1,0,0|1,0,0]=3 12549 B13R1.674 CSCCC(=O)N1CCOCC1C f5e2383be16c546cfa5a7b498f6f8317 [0,1,0,1,0,0|2,0,0]=4 12550 B13R1.674 CSCCC(=O)N1CCOC[C@@H]1C fc6f92b01a4160693303b834eed9edbe [0,1,0,1,0,0|2,0,0]=4 12551 B13R1.674 CSCCC(=O)N1CCOC[C@H]1C 1a70f9dfe63b1e701d1a546b48f79278 [0,1,0,1,0,0|2,0,0]=4 12552 B13R1.674 CSSCC(=O)N1CCCCC1C 7e4beb4d7fb678d086366ad336a0e57e [0,1,0,1,0,0|2,0,0]=4 12553 B13R1.674 CSSCC(=O)N1CCCC[C@@H]1C 2cf2aacbccb0d83b113b6910ddb72ef8 [0,1,0,1,0,0|2,0,0]=4 12554 B13R1.674 CSSCC(=O)N1CCCC[C@H]1C 2cc4bc65696c0a53427344df715b5762 [0,1,0,1,0,0|2,0,0]=4 12555 B13R1.674 C[C@@H]1CCCCN1C(=O)CCC#N 301b7b0cbdac37e217d49e3d23b5b1df [0,1,0,1,0,0|1,0,1]=4 12556 B13R1.674 C[C@@H]1CCCCN1C(=O)CCC=O 46f00856b57c9fb035104122a0608e39 [0,1,0,1,0,0|1,0,1]=4 12557 B13R1.674 C[C@@H]1CCCCN1C(=O)CCCF daeaf3deafd8888901c10a33bb07fbc6 [0,1,0,1,0,0|1,0,0]=3 12558 B13R1.674 C[C@@H]1CCCCN1C(=O)CCCS d4639de5f937dd8d583c2035faf6ce74 [0,1,0,1,0,0|1,0,0]=3 12559 B13R1.674 C[C@@H]1CCCCN1C(=O)NCCF c563df967e645dfb5927b5d37893fabf [0,1,0,1,0,0|2,0,0]=4 12560 B13R1.674 C[C@@H]1CCCCN1C(=O)NCCN e733d80bccb94f944e3b98a47ca15285 [0,1,0,1,0,0|2,0,0]=4 12561 B13R1.674 C[C@@H]1CCCCN1C(=O)NCCO 1b135fe000ff43028671436367362933 [0,1,0,1,0,0|2,0,0]=4 12562 B13R1.674 C[C@@H]1CCCCN1C(=O)NCCS b36d5a7174cfc389a22d6d01c156c51b [0,1,0,1,0,0|2,0,0]=4 12563 B13R1.674 C[C@@H]1COCCN1C(=O)CCCF 168c187090364899c603bd22ccfb28a3 [0,1,0,1,0,0|2,0,0]=4 12564 B13R1.674 C[C@@H]1COCCN1C(=O)CCCS 3d43422035b2bbf5524addbb04c7f64c [0,1,0,1,0,0|2,0,0]=4 12565 B13R1.674 C[C@H]1CCCCN1C(=O)CCC#N ffae4f38bded96cbf42024535e7b16b1 [0,1,0,1,0,0|1,0,1]=4 12566 B13R1.674 C[C@H]1CCCCN1C(=O)CCC=O ed508d50c0c1a91ce655609c5cb95d7b [0,1,0,1,0,0|1,0,1]=4 12567 B13R1.674 C[C@H]1CCCCN1C(=O)CCCF 2aa527e75b689ea4b06ba4d72fe6d351 [0,1,0,1,0,0|1,0,0]=3 12568 B13R1.674 C[C@H]1CCCCN1C(=O)CCCS fc29fc2611dbc684df97c6133afc7dbf [0,1,0,1,0,0|1,0,0]=3 12569 B13R1.674 C[C@H]1CCCCN1C(=O)NCCF f8dd055348abce46c8d11e4e18da9926 [0,1,0,1,0,0|2,0,0]=4 12570 B13R1.674 C[C@H]1CCCCN1C(=O)NCCN c5f657a6d1d4f262b65e8d64d25e5d50 [0,1,0,1,0,0|2,0,0]=4 12571 B13R1.674 C[C@H]1CCCCN1C(=O)NCCO 38f7efb5da1aaba3c981e95e656122cd [0,1,0,1,0,0|2,0,0]=4 12572 B13R1.674 C[C@H]1CCCCN1C(=O)NCCS 13d178af0d851a0a979cb1a910d4843e [0,1,0,1,0,0|2,0,0]=4 12573 B13R1.674 C[C@H]1COCCN1C(=O)CCCF f8f87aa6708d74578ae4a12837769fb8 [0,1,0,1,0,0|2,0,0]=4 12574 B13R1.674 C[C@H]1COCCN1C(=O)CCCS 140233483b93caa9783d6f3cd51a9696 [0,1,0,1,0,0|2,0,0]=4 12575 B13R1.676 CCCCC(=O)NCCOC1CC1 def7fc84b2cce5741be3a7cef4479046 [0,1,0,1,0,0|2,0,0]=4 12576 B13R1.676 CCCCC(=O)OCNCC1CC1 43bbb0df18620380a0c85a7cdb57e115 [0,1,0,1,0,0|1,0,0]=3 12577 B13R1.676 CCCCC(=O)OCOCC1CC1 6f0565b47e287bda8c7941ab96a1bb2d [0,1,0,1,0,0|1,0,0]=3 12578 B13R1.676 CCCCC(C)OCCCC1CC1 86be3f4322220d40600ac01ce5f1dc75 [0,1,0,1,0,0|1,0,1]=4 12579 B13R1.676 CCCNC(=O)CCCCC1CC1 5a8262cb40eb4c8d35bf2ad8cb9e60c7 [0,1,0,1,0,0|1,0,0]=3 12580 B13R1.676 CCCNC(=O)CCCNC1CC1 84898e1194e7323dc303f93bbd24387f [0,1,0,1,0,0|2,0,0]=4 12581 B13R1.676 CCCNC(=O)CCCOC1CC1 389397c9ec03c1fd9b1793424f318168 [0,1,0,1,0,0|2,0,0]=4 12582 B13R1.676 CCCNC(=O)CCSCC1CC1 8eba5d502d31ebb0c1ce97c0707154e2 [0,1,0,1,0,0|2,0,0]=4 12583 B13R1.676 CCCNC(=O)CNCCC1CC1 4278eabf11ed7b63b19ad8173b4466c6 [0,1,0,1,0,0|2,0,0]=4 12584 B13R1.676 CCCNC(=O)COCCC1CC1 cf275f8266776f0915328c94b245b01f [0,1,0,1,0,0|2,0,0]=4 12585 B13R1.676 CCCNC(=O)NCCOC1CC1 349f4d3963c18fb83c291a1c97294fb4 [0,1,0,1,0,0|2,0,0]=4 12586 B13R1.676 CCCOC(=O)CCOCC1CC1 a74a197abe45062358e171af301a7ae5 [0,1,0,1,0,0|2,0,0]=4 12587 B13R1.676 CCCOC(=O)CNCCC1CC1 f6549c34152c62726d823671fdea6016 [0,1,0,1,0,0|2,0,0]=4 12588 B13R1.676 CCCOC(=O)COCCC1CC1 e18cbc7a97cb46ef511960ebcc5d73e0 [0,1,0,1,0,0|2,0,0]=4 12589 B13R1.676 CCCOC(=O)OCNCC1CC1 2ace5c4b24476dfbd9a59930bdbe4b8d [0,1,0,1,0,0|1,0,0]=3 12590 B13R1.676 CCCOC(=O)OCOCC1CC1 27bb5455db166b6650345f189ccb958a [0,1,0,1,0,0|1,0,0]=3 12591 B13R1.676 CCOCC(=O)NCCOC1CC1 04f987e5efc3861af3d1a7c702f5bf87 [0,1,0,1,0,0|2,0,0]=4 12592 B13R1.676 CCSCC(=O)NCCOC1CC1 e951150d10d7058a9454f9a37efa6dff [0,1,0,1,0,0|2,0,0]=4 12593 B13R1.676 COCCC(=O)NCCOC1CC1 89f7e7e42c92ad74e54cfcb211b93422 [0,1,0,1,0,0|2,0,0]=4 12594 B13R1.676 CSCCC(=O)CNCCC1CC1 de6d70531ce484363fc528efc63640cf [0,1,0,1,0,0|2,0,0]=4 12595 B13R1.676 CSCCC(=O)COCCC1CC1 baa5348983402b9d8b9dd55e8c450c79 [0,1,0,1,0,0|2,0,0]=4 12596 B13R1.676 CSCCC(=O)NCCOC1CC1 17c33906c67b59c0d9a5675039818cde [0,1,0,1,0,0|2,0,0]=4 12597 B13R1.676 O=C(CCCCC1CC1)NCCBr fc3ccae16bd2b99b9b80d7c59b115ac8 [0,1,0,1,0,0|2,0,0]=4 12598 B13R1.676 O=C(CCCCC1CC1)NCCF 6731718054f94f61ee89ce67dbcfb74c [0,1,0,1,0,0|2,0,0]=4 12599 B13R1.676 O=C(CCCCC1CC1)NCCI af387ce14e045ecb79e4459647b7c73f [0,1,0,1,0,0|2,0,0]=4 12600 B13R1.676 O=C(CCCCC1CC1)NCCO 85e1d0853cea5f448d2cf568169b0f39 [0,1,0,1,0,0|2,0,0]=4 12601 B13R1.676 O=C(CCCCC1CC1)NCCS e1e209e4d3ee31bc2794e74ec120357e [0,1,0,1,0,0|2,0,0]=4 12602 B13R1.676 O=C(CCCF)NCCOC1CC1 7c4c640063b73cf283218dcb1ad687ab [0,1,0,1,0,0|2,0,0]=4 12603 B13R1.676 O=C(CCCS)NCCOC1CC1 dfda079b4685cbf89f8af415008ba2fe [0,1,0,1,0,0|2,0,0]=4 12604 B13R1.677 CCCCC(=O)NCC1CCN1C cda4fb65275d87e5bfae5b8a6b4cc2d7 [0,1,0,1,0,0|2,0,0]=4 12605 B13R1.677 CCCNC(=O)CN[C@@H]1CC[C@H]1C 0cb239ac4fe830b171ce1f5f48c2c547 [0,1,0,1,0,0|2,0,0]=4 12606 B13R1.677 CCCNC(=O)CN[C@H]1CC[C@H]1C 4637a5157f1a5ed418ddc3d89409ff54 [0,1,0,1,0,0|2,0,0]=4 12607 B13R1.677 CCCNC(=O)NCC1CCN1C c12cf16e931b536a62c44c50b71d5115 [0,1,0,1,0,0|2,0,0]=4 12608 B13R1.677 CCCOC(=O)CN[C@@H]1CC[C@H]1C 95252c706281a0b2f6eec3de7c57b12f [0,1,0,1,0,0|2,0,0]=4 12609 B13R1.677 CCCOC(=O)CN[C@H]1CC[C@H]1C 314c4f1a8d708bb263e9d9934e713589 [0,1,0,1,0,0|2,0,0]=4 12610 B13R1.677 CCOCC(=O)NCC1CCN1C 1edf3073393d1611193a7382c40dcd3a [0,1,0,1,0,0|2,0,0]=4 12611 B13R1.677 CCSCC(=O)NCC1CCN1C b4bd7171a6453fd11f6428ffb31d7027 [0,1,0,1,0,0|2,0,0]=4 12612 B13R1.677 CN1CCC1CNC(=O)CCCF 1b6e1c01a3502df89698e2898e062ac7 [0,1,0,1,0,0|2,0,0]=4 12613 B13R1.677 CN1CCC1CNC(=O)CCCS 2a0460f44162481003dedb88d0e4994f [0,1,0,1,0,0|2,0,0]=4 12614 B13R1.677 COCCC(=O)NCC1CCN1C 9919593d954f561e2a1959e5664e56dc [0,1,0,1,0,0|2,0,0]=4 12615 B13R1.677 CSCCC(=O)CN[C@@H]1CC[C@H]1C 88cdd38351bf4702bcf9fd87eac1a0c0 [0,1,0,1,0,0|2,0,0]=4 12616 B13R1.677 CSCCC(=O)CN[C@H]1CC[C@H]1C 23ddf1317b577cb3816277c030cb3d96 [0,1,0,1,0,0|2,0,0]=4 12617 B13R1.677 CSCCC(=O)NCC1CCN1C 9ee1a472e0e64186936a5e0fab0f847c [0,1,0,1,0,0|2,0,0]=4 12618 B13R1.682 CCCCC(=O)N1CCC1CCO 567f021fc7a234666a81c24436a6e3cd [0,1,0,1,0,0|2,0,0]=4 12619 B13R1.682 CCCCC(=O)N1CCC1COC 3fb5508a3586cba36ecb515b683990b7 [0,1,0,1,0,0|2,0,0]=4 12620 B13R1.682 CCCCC(=O)N1CC[C@@H]1COC cdfa3a6e048b5e4d010084211ed36419 [0,1,0,1,0,0|2,0,0]=4 12621 B13R1.682 CCCCC(=O)N1CC[C@H]1COC 2265b15531136d627e0475b4985c80c5 [0,1,0,1,0,0|2,0,0]=4 12622 B13R1.682 CCCNC(=O)N1CCC1CCO a659034b7c6c93cccba12eeb22327ee6 [0,1,0,1,0,0|2,0,0]=4 12623 B13R1.682 CCCNC(=O)N1CCC1COC 0b1256b125c0c267e0cabf1dcb892308 [0,1,0,1,0,0|2,0,0]=4 12624 B13R1.682 CCCNC(=O)N1CC[C@@H]1COC a07a85fdacc45e025a35c4856933365a [0,1,0,1,0,0|2,0,0]=4 12625 B13R1.682 CCCNC(=O)N1CC[C@H]1COC 3f1b492cf425ae543e5b1a359cbdf37a [0,1,0,1,0,0|2,0,0]=4 12626 B13R1.682 CCCNC(=O)[C@@H]1CCN1CCC a0d387b09be586ef65f8f0ad0851a584 [0,1,0,1,0,0|2,0,0]=4 12627 B13R1.682 CCOCC(=O)N1CCC1CCO 8b92aa803d7e0a15af18b35b116ecad8 [0,1,0,1,0,0|2,0,0]=4 12628 B13R1.682 CCOCC(=O)N1CCC1COC 7ef7425171c17d1470916e37aed98bd4 [0,1,0,1,0,0|2,0,0]=4 12629 B13R1.682 CCOCC(=O)N1CC[C@@H]1COC 1b1d275801e0eeedc0d800c05edfd9e7 [0,1,0,1,0,0|2,0,0]=4 12630 B13R1.682 CCOCC(=O)N1CC[C@H]1COC b7d0f70ad91f21ffe9961205c4744935 [0,1,0,1,0,0|2,0,0]=4 12631 B13R1.682 CCSCC(=O)N1CCC1CCO f84bb09985312bbeadd56daf113a85bf [0,1,0,1,0,0|2,0,0]=4 12632 B13R1.682 CCSCC(=O)N1CCC1COC 79a648cedd52c1a739c3b5084d00f647 [0,1,0,1,0,0|2,0,0]=4 12633 B13R1.682 CCSCC(=O)N1CC[C@@H]1COC 041c1d8a057c0443c949b7fe03c722c7 [0,1,0,1,0,0|2,0,0]=4 12634 B13R1.682 CCSCC(=O)N1CC[C@H]1COC e98b353aac293dd3c11ed337a13f8e4f [0,1,0,1,0,0|2,0,0]=4 12635 B13R1.682 COCC1CCN1C(=O)CCCF f66ab2439a1a8607837d0d8a16a18535 [0,1,0,1,0,0|2,0,0]=4 12636 B13R1.682 COCC1CCN1C(=O)CCCS d2fdd50b34b5c09d760ed7711853fb9e [0,1,0,1,0,0|2,0,0]=4 12637 B13R1.682 COCC1CCN1C(=O)CCSC 8f5909c0a47f009419e22d7c50f2b65a [0,1,0,1,0,0|2,0,0]=4 12638 B13R1.682 COCCC(=O)N1CCC1CCO 10d591fea474676afe57db2be4db30ee [0,1,0,1,0,0|2,0,0]=4 12639 B13R1.682 COCCC(=O)N1CCC1COC d7d00dc103a5260ca10a46fb7a7c620e [0,1,0,1,0,0|2,0,0]=4 12640 B13R1.682 COCCC(=O)N1CC[C@@H]1COC c8213ca4c2256038e80ba8180436f83c [0,1,0,1,0,0|2,0,0]=4 12641 B13R1.682 COCCC(=O)N1CC[C@H]1COC aef5751493550692e20e05d6235bbe8b [0,1,0,1,0,0|2,0,0]=4 12642 B13R1.682 COC[C@@H]1CCN1C(=O)CCCF 0d5fb8bb5f010c601969f167c5872297 [0,1,0,1,0,0|2,0,0]=4 12643 B13R1.682 COC[C@@H]1CCN1C(=O)CCCS e46803210b78d1dc18dc5d15223fecc5 [0,1,0,1,0,0|2,0,0]=4 12644 B13R1.682 COC[C@@H]1CCN1C(=O)CCSC 8110cb09aedefe5e882e14c9799d071f [0,1,0,1,0,0|2,0,0]=4 12645 B13R1.682 COC[C@H]1CCN1C(=O)CCCF 21e55304a9db17cf6747d99b01ca91a7 [0,1,0,1,0,0|2,0,0]=4 12646 B13R1.682 COC[C@H]1CCN1C(=O)CCCS b2ebfa1c634d3b0cd3577731c44e92d4 [0,1,0,1,0,0|2,0,0]=4 12647 B13R1.682 COC[C@H]1CCN1C(=O)CCSC 431dc0ccb6b4f98e842f77fdd6b2544c [0,1,0,1,0,0|2,0,0]=4 12648 B13R1.682 CSCCC(=O)N1CCC1CCO 334670620f2867214d1565ee5ae3a63e [0,1,0,1,0,0|2,0,0]=4 12649 B13R1.682 O=C(CCCF)N1CCC1CCO 7ef970af0983ffd8123298aa66e1e4a9 [0,1,0,1,0,0|2,0,0]=4 12650 B13R1.682 O=C(CCCS)N1CCC1CCO 5578f5ea8f1b9dd2019775dc2bb90f4e [0,1,0,1,0,0|2,0,0]=4 12651 B13R1.683 C#CCCC(=O)NCCC1CCC1 99dbf6db6c3f33ad7d09e65c3af4b8df [0,1,0,1,0,0|1,0,1]=4 12652 B13R1.683 C/C=C/CC(=O)NCCC1CCC1 8b227d2ba47097675ae4cb7887f9ae5b [0,1,0,1,0,0|1,0,1]=4 12653 B13R1.683 C=CCCC(=O)NCCC1CCC1 6b0a6413157e751ab6922bb71f622b47 [0,1,0,1,0,0|1,0,1]=4 12654 B13R1.683 CC#CCC(=O)NCCC1CCC1 0715c5dc1c65c7165dc7d5a0f0028c2f [0,1,0,1,0,0|1,0,1]=4 12655 B13R1.683 CC/C=C/C(=O)NCCC1CCC1 8852600144d86afd1b9c93ced7e66502 [0,1,0,1,0,0|1,0,1]=4 12656 B13R1.683 CC/C=C\C(=O)NCCC1CCC1 1d923b2603e9dd2297bdd0562f1a7fe9 [0,1,0,1,0,0|1,0,1]=4 12657 B13R1.683 CCC#CC(=O)NCCC1CCC1 b9bfc811f0ed1050763f272bab078ec6 [0,1,0,1,0,0|1,0,1]=4 12658 B13R1.683 CCC=CC(=O)NCCC1CCC1 6a8484daab62817541adfca1785ad562 [0,1,0,1,0,0|1,0,1]=4 12659 B13R1.683 CCCCC(=O)NCCC1CCC1 83c32e7a669a977f5504c44d71fe3c72 [0,1,0,1,0,0|1,0,0]=3 12660 B13R1.683 CCCCC(=O)NCCC1CCO1 10dacab3bda4addc4cf14aee1fbde274 [0,1,0,1,0,0|2,0,0]=4 12661 B13R1.683 CCCCC(=O)NCCC1COC1 d1f308715cd35c23c73d2b5ea7413465 [0,1,0,1,0,0|2,0,0]=4 12662 B13R1.683 CCCCC(=O)NCCN1CCC1 a4637cbdd4029d025ae6459144855b5c [0,1,0,1,0,0|2,0,0]=4 12663 B13R1.683 CCCCC(=O)NCC[C@@H]1CCO1 83f341c0c7ce5c04e1e87d0509a37171 [0,1,0,1,0,0|2,0,0]=4 12664 B13R1.683 CCCCC(=O)OCNC1CCC1 00360c4708ede70963b003d97b083240 [0,1,0,1,0,0|1,0,0]=3 12665 B13R1.683 CCCCC(=O)OCNC1COC1 fc3764470639ac4eb013421e06e87b5d [0,1,0,1,0,0|2,0,0]=4 12666 B13R1.683 CCCCC(=O)OCOC1CCC1 0b7641b5a52a5ec2270c2b8c0189f44e [0,1,0,1,0,0|1,0,0]=3 12667 B13R1.683 CCCCC(=O)OCOC1COC1 c936ef3d3d98c56de4b2b48a7d24917c [0,1,0,1,0,0|2,0,0]=4 12668 B13R1.683 CCCCC(=O)OCOC1CSC1 44b42db423394a59a4d1befc11e242ef [0,1,0,1,0,0|2,0,0]=4 12669 B13R1.683 CCCCC(C)OCCC1CCC1 df90ecc0418cc3106f32892eab601107 [0,1,0,1,0,0|1,0,1]=4 12670 B13R1.683 CCCC[C@@H](C)OCCC1CCC1 80927bd2b6e3845527d8c2053b3dc281 [0,1,0,1,0,0|1,0,1]=4 12671 B13R1.683 CCCC[C@H](C)OCCC1CCC1 24e54ad28b4f76798490da5908bab91e [0,1,0,1,0,0|1,0,1]=4 12672 B13R1.683 CCCNC(=O)CCCN1CCC1 37b834bcb04fdb88bf285b685f9c844f [0,1,0,1,0,0|2,0,0]=4 12673 B13R1.683 CCCNC(=O)CNCC1CCC1 21c42641df52325f4ac71d6c2c5e9bf8 [0,1,0,1,0,0|2,0,0]=4 12674 B13R1.683 CCCNC(=O)COCC1CCC1 fc30f2dc76ad32eb3634b5aa3ce73059 [0,1,0,1,0,0|2,0,0]=4 12675 B13R1.683 CCCNC(=O)NCCC1CCC1 8f3d3513bed0ea1eedd71cd87a6a6217 [0,1,0,1,0,0|1,0,0]=3 12676 B13R1.683 CCCNC(=O)NCCC1CCO1 843867bbdd98bb32eea29439670c4e1b [0,1,0,1,0,0|2,0,0]=4 12677 B13R1.683 CCCNC(=O)NCCC1COC1 eb82efb078933f86fa4bbf50c205cb07 [0,1,0,1,0,0|2,0,0]=4 12678 B13R1.683 CCCNC(=O)NCCN1CCC1 369f2bdb4db77f169aaa580598c6e445 [0,1,0,1,0,0|2,0,0]=4 12679 B13R1.683 CCCNC(=O)NCC[C@@H]1CCO1 3913146f44a3c2d4c8290629b6a8944e [0,1,0,1,0,0|2,0,0]=4 12680 B13R1.683 CCCNC(=S)NCCC1CCC1 c7d94a909b9f253130a07c2058ea2ea1 [0,1,0,1,0,0|1,1,0]=4 12681 B13R1.683 CCCOC(=O)CCOC1CCC1 5381339ad2207f7db2ee801d90bfebe7 [0,1,0,1,0,0|2,0,0]=4 12682 B13R1.683 CCCOC(=O)CNCC1CCC1 60e0f2fb4cf0d65309f6cf86a4503e51 [0,1,0,1,0,0|2,0,0]=4 12683 B13R1.683 CCCOC(=O)COCC1CCC1 0ea63f45fbff406d1fafaf1a03957881 [0,1,0,1,0,0|2,0,0]=4 12684 B13R1.683 CCCOC(=O)OCNC1CCC1 dfbc41ce4a45820cc10a6c661a05761d [0,1,0,1,0,0|1,0,0]=3 12685 B13R1.683 CCCOC(=O)OCNC1COC1 2109822e0175c844b3fbcdf8c566a9ab [0,1,0,1,0,0|2,0,0]=4 12686 B13R1.683 CCCOC(=O)OCOC1CCC1 a92392e59ce476e90317c04f8f379efc [0,1,0,1,0,0|1,0,0]=3 12687 B13R1.683 CCCOC(=O)OCOC1COC1 73c261fbd378160e083400cfdfbf8d7e [0,1,0,1,0,0|2,0,0]=4 12688 B13R1.683 CCCOC(=O)OCOC1CSC1 58b0a526f1f289596e6a610120aef847 [0,1,0,1,0,0|2,0,0]=4 12689 B13R1.683 CCOCC(=O)NCCC1CCC1 9788498f8d508c9cf34b2340917e2f83 [0,1,0,1,0,0|1,0,0]=3 12690 B13R1.683 CCOCC(=O)NCCC1CCO1 ce380e796852544e892a1e02a5245ef7 [0,1,0,1,0,0|2,0,0]=4 12691 B13R1.683 CCOCC(=O)NCCC1COC1 5d6749abdb303e81479b198e1c42d0e7 [0,1,0,1,0,0|2,0,0]=4 12692 B13R1.683 CCOCC(=O)NCCN1CCC1 9b163f430348e8041abd6359442c09f8 [0,1,0,1,0,0|2,0,0]=4 12693 B13R1.683 CCOCC(=O)NCC[C@@H]1CCO1 23154e4f490644f56c922636e4b7650b [0,1,0,1,0,0|2,0,0]=4 12694 B13R1.683 CCOCC(C)OCCC1CCC1 669be9f46f100d8e90e7cbf4dc0adc0b [0,1,0,1,0,0|1,0,1]=4 12695 B13R1.683 CCSCC(=O)NCCC1CCC1 e531df75418527eeac10fd030b42fcdd [0,1,0,1,0,0|1,0,0]=3 12696 B13R1.683 CCSCC(=O)NCCC1CCO1 95c39b82b23f6faf98c91d7c42fa8fa2 [0,1,0,1,0,0|2,0,0]=4 12697 B13R1.683 CCSCC(=O)NCCC1COC1 1842990de613a668cd2607fa87c100e2 [0,1,0,1,0,0|2,0,0]=4 12698 B13R1.683 CCSCC(=O)NCCN1CCC1 a82c22668052facebf10b78be3787547 [0,1,0,1,0,0|2,0,0]=4 12699 B13R1.683 CCSCC(=O)NCC[C@@H]1CCO1 f1b045ec3851f712fb8a4dee9253bc4e [0,1,0,1,0,0|2,0,0]=4 12700 B13R1.683 COCCC(=O)NCCC1CCC1 e035f5b9d4e1f60ee7864ee24abda6f0 [0,1,0,1,0,0|1,0,0]=3 12701 B13R1.683 COCCC(=O)NCCC1CCO1 7977f10c2836b097d336e9055b1a278d [0,1,0,1,0,0|2,0,0]=4 12702 B13R1.683 COCCC(=O)NCCC1COC1 065c4e60003decc93789628c48edab4b [0,1,0,1,0,0|2,0,0]=4 12703 B13R1.683 COCCC(=O)NCCN1CCC1 ac88907ca9dee8ebf7e8e12c4cdb5dd6 [0,1,0,1,0,0|2,0,0]=4 12704 B13R1.683 COCCC(=O)NCC[C@@H]1CCO1 00c73b6aaabe3a3b417b2708c34c256f [0,1,0,1,0,0|2,0,0]=4 12705 B13R1.683 COCCC(C)OCCC1CCC1 c7f9ac57773f5ea63d6af149765dc269 [0,1,0,1,0,0|1,0,1]=4 12706 B13R1.683 CSCCC(=O)CNCC1CCC1 4036ffa68cfb08ec93e61583e0d51cbd [0,1,0,1,0,0|2,0,0]=4 12707 B13R1.683 CSCCC(=O)COCC1CCC1 d0fadc7e4056bfbea1264e1c908142cc [0,1,0,1,0,0|2,0,0]=4 12708 B13R1.683 CSCCC(=O)NCCC1CCC1 1ce67a0cd448fb2c28da72ae44d79490 [0,1,0,1,0,0|1,0,0]=3 12709 B13R1.683 CSCCC(=O)NCCC1CCO1 f4e47446650facdb3fd4887742cef95e [0,1,0,1,0,0|2,0,0]=4 12710 B13R1.683 CSCCC(=O)NCCC1COC1 b708b543ba09083b098d725c667c1a8e [0,1,0,1,0,0|2,0,0]=4 12711 B13R1.683 CSCCC(=O)NCCN1CCC1 457272a2304e24014cf57fa009307cd4 [0,1,0,1,0,0|2,0,0]=4 12712 B13R1.683 CSCCC(=O)NCC[C@@H]1CCO1 7f9717f54425e16d9ca365234e7208a0 [0,1,0,1,0,0|2,0,0]=4 12713 B13R1.683 CSCCC(C)OCCC1CCC1 313b78aad211ef26d40d288b571af5d7 [0,1,0,1,0,0|1,0,1]=4 12714 B13R1.683 CSSCC(=O)NCCC1CCC1 3be372abb289f8900e8e240bfa85aed4 [0,1,0,1,0,0|2,0,0]=4 12715 B13R1.683 N#CCCC(=O)NCCC1CCC1 f509f2db3e9312179e78c7a92aef82c4 [0,1,0,1,0,0|1,0,1]=4 12716 B13R1.683 NCCNC(=O)NCCC1CCC1 a3af05f14450dfeb102e344109872f14 [0,1,0,1,0,0|2,0,0]=4 12717 B13R1.683 O=C(CCCF)NCCC1CCC1 9e885c698e2c9f6a1dc3a96acf3bea4c [0,1,0,1,0,0|1,0,0]=3 12718 B13R1.683 O=C(CCCF)NCCC1CCO1 add544712ac19859a38f7cb72994794b [0,1,0,1,0,0|2,0,0]=4 12719 B13R1.683 O=C(CCCF)NCCC1COC1 a01091b946ba1459c81ca254ee70e580 [0,1,0,1,0,0|2,0,0]=4 12720 B13R1.683 O=C(CCCF)NCCN1CCC1 a816f925503102ada017c20b370a2817 [0,1,0,1,0,0|2,0,0]=4 12721 B13R1.683 O=C(CCCF)NCC[C@@H]1CCO1 7c82b09490f08a6a8a15b21eb98491c0 [0,1,0,1,0,0|2,0,0]=4 12722 B13R1.683 O=C(CCCS)NCCC1CCC1 16e83027231e08526c8f3fc7d676e448 [0,1,0,1,0,0|1,0,0]=3 12723 B13R1.683 O=C(CCCS)NCCC1CCO1 50536d0f56135e0f8bab26800272290a [0,1,0,1,0,0|2,0,0]=4 12724 B13R1.683 O=C(CCCS)NCCC1COC1 6586cccc5234394eedadf90a1a072c88 [0,1,0,1,0,0|2,0,0]=4 12725 B13R1.683 O=C(CCCS)NCCN1CCC1 e08f637320a6bd0c3a06e496ec66f3c7 [0,1,0,1,0,0|2,0,0]=4 12726 B13R1.683 O=C(CCCS)NCC[C@@H]1CCO1 e01c394f863892545171befddd4e19be [0,1,0,1,0,0|2,0,0]=4 12727 B13R1.683 O=C(NCCF)NCCC1CCC1 61bfd8b90a6ae4abf7944b094aec4338 [0,1,0,1,0,0|2,0,0]=4 12728 B13R1.683 O=C(NCCO)NCCC1CCC1 f8b4fe4ae3ff62504ab699ed4d619c81 [0,1,0,1,0,0|2,0,0]=4 12729 B13R1.683 O=C(NCCS)NCCC1CCC1 5d0b862ca4f24980c80dd1b95ef8f015 [0,1,0,1,0,0|2,0,0]=4 12730 B13R1.683 O=CCCC(=O)NCCC1CCC1 08015ba92e22e3ee9344a59bcfc2208b [0,1,0,1,0,0|1,0,1]=4 12731 B13R1.684 C#CCCC(=O)N1CCCC1CC 247a164769427562db83174100d16f1e [0,1,0,1,0,0|1,0,1]=4 12732 B13R1.684 C#CCCC(=O)N1CCC[C@H]1CC 779633b29715299bc713ec6f00d6c8e1 [0,1,0,1,0,0|1,0,1]=4 12733 B13R1.684 C/C=C/CC(=O)N1CCCC1CC 52bdc17be6c28d753334b03154ecb8be [0,1,0,1,0,0|1,0,1]=4 12734 B13R1.684 C/C=C/CC(=O)N1CCC[C@H]1CC cff954f12a97b169bc36d3f09a8f2dc5 [0,1,0,1,0,0|1,0,1]=4 12735 B13R1.684 C=CCCC(=O)N1CCCC1CC f49dac3f7975b663c15bb7c28b56c67f [0,1,0,1,0,0|1,0,1]=4 12736 B13R1.684 C=CCCC(=O)N1CCC[C@H]1CC b3a9439c1ac3cfa598bd33a92dcc8269 [0,1,0,1,0,0|1,0,1]=4 12737 B13R1.684 CC#CCC(=O)N1CCCC1CC f8f83e25d0d493472e7405ca4d38f218 [0,1,0,1,0,0|1,0,1]=4 12738 B13R1.684 CC#CCC(=O)N1CCC[C@H]1CC 831f56c40ee9a93f0e8a19f8192523b5 [0,1,0,1,0,0|1,0,1]=4 12739 B13R1.684 CC/C=C/C(=O)N1CCCC1CC ce4ae820c3826d924edd8782b2c9e166 [0,1,0,1,0,0|1,0,1]=4 12740 B13R1.684 CC/C=C/C(=O)N1CCC[C@H]1CC 7d24f5e38f522ca398e0c5cefea67bea [0,1,0,1,0,0|1,0,1]=4 12741 B13R1.684 CC/C=C\C(=O)N1CCCC1CC 7d794cb97978122107d8ec9bc2cf8a6e [0,1,0,1,0,0|1,0,1]=4 12742 B13R1.684 CC/C=C\C(=O)N1CCC[C@H]1CC 0998a2f3d06c135c7412170e8da83953 [0,1,0,1,0,0|1,0,1]=4 12743 B13R1.684 CCC#CC(=O)N1CCCC1CC 60924d328e756bd7569e7b481dadaf07 [0,1,0,1,0,0|1,0,1]=4 12744 B13R1.684 CCC#CC(=O)N1CCC[C@H]1CC e9bb3095c5b39d1589a13e240eeff6e6 [0,1,0,1,0,0|1,0,1]=4 12745 B13R1.684 CCC1CCCN1C(=O)CCC#N 29494065b5de3197e97976a5d01ffea5 [0,1,0,1,0,0|1,0,1]=4 12746 B13R1.684 CCC1CCCN1C(=O)CCC=O 62aa239e5b392e9d9630ba3edca9322f [0,1,0,1,0,0|1,0,1]=4 12747 B13R1.684 CCC1CCCN1C(=O)CCCF 1bfd19d5dfab51512c16090f92d67a43 [0,1,0,1,0,0|1,0,0]=3 12748 B13R1.684 CCC1CCCN1C(=O)CCCS d6124d73fcb4c0d88268cf4660b17768 [0,1,0,1,0,0|1,0,0]=3 12749 B13R1.684 CCC1CCCN1C(=O)CCOC 3096ae608f858cbc58a19cabc3c6f35d [0,1,0,1,0,0|1,0,0]=3 12750 B13R1.684 CCC1CCCN1C(=O)CCSC c0fdbc859a2cf2a210d5543be3158c3a [0,1,0,1,0,0|1,0,0]=3 12751 B13R1.684 CCC1CCCN1C(=O)CSSC 14d01fc52fbbcad4a0c3ffd6c92c8850 [0,1,0,1,0,0|2,0,0]=4 12752 B13R1.684 CCC1CCCN1C(=O)NCCF 0d823cb76d51c4458e439824c62b6aa1 [0,1,0,1,0,0|2,0,0]=4 12753 B13R1.684 CCC1CCCN1C(=O)NCCN 4d47f6e69b29995e15031863540170d3 [0,1,0,1,0,0|2,0,0]=4 12754 B13R1.684 CCC1CCCN1C(=O)NCCO d7ba0b1ae367ca2e32139295027ab9b4 [0,1,0,1,0,0|2,0,0]=4 12755 B13R1.684 CCC1CCCN1C(=O)NCCS 79fb33a433076aaefdd818685110baa3 [0,1,0,1,0,0|2,0,0]=4 12756 B13R1.684 CCC=CC(=O)N1CCCC1CC 1479dec57e48c06bb502882aed22f178 [0,1,0,1,0,0|1,0,1]=4 12757 B13R1.684 CCC=CC(=O)N1CCC[C@H]1CC 10e94a9e4a25216ba71996c0fde1fdfe [0,1,0,1,0,0|1,0,1]=4 12758 B13R1.684 CCCCC(=O)N1CCCC1CC 0591513608380053c88edd963c13216a [0,1,0,1,0,0|1,0,0]=3 12759 B13R1.684 CCCCC(=O)N1CCCC1CO 0a383b6e6c2b00421ee9f67585a2896a [0,1,0,1,0,0|2,0,0]=4 12760 B13R1.684 CCCCC(=O)N1CCCC1OC 8cda365ac80147d7c438504d5f5667d4 [0,1,0,1,0,0|2,0,0]=4 12761 B13R1.684 CCCCC(=O)N1CCC[C@@H]1CF acba3828ee1792d415e04abd67331e8f [0,1,0,1,0,0|2,0,0]=4 12762 B13R1.684 CCCCC(=O)N1CCC[C@@H]1CO 2710b9ea11e4b7633284d8500e4577cb [0,1,0,1,0,0|2,0,0]=4 12763 B13R1.684 CCCCC(=O)N1CCC[C@H]1CC 49ca43f651a02803315e6a90ab11247d [0,1,0,1,0,0|1,0,0]=3 12764 B13R1.684 CCCCC(=O)N1CCC[C@H]1CF cef61021b383f0a519d4619c29602dfa [0,1,0,1,0,0|2,0,0]=4 12765 B13R1.684 CCCCC(=O)N1CCC[C@H]1CO 43613cddb11315b6b77962c7b077baaf [0,1,0,1,0,0|2,0,0]=4 12766 B13R1.684 CCCNC(=O)C1CCCN1CC a8c06d68dc6deefb16afae58302d477e [0,1,0,1,0,0|2,0,0]=4 12767 B13R1.684 CCCNC(=O)N1CCCC1CC 9151b160799925d0cc8ec14b90d0a0b8 [0,1,0,1,0,0|1,0,0]=3 12768 B13R1.684 CCCNC(=O)N1CCCC1CO 1db3f3e10fa450e8022abaf68a0ee67f [0,1,0,1,0,0|2,0,0]=4 12769 B13R1.684 CCCNC(=O)N1CCCC1OC 8770ebc889d8958c15bf0e3e0617a1be [0,1,0,1,0,0|2,0,0]=4 12770 B13R1.684 CCCNC(=O)N1CCC[C@@H]1CF 35fff59900a2e4dc341b946c15f5b150 [0,1,0,1,0,0|2,0,0]=4 12771 B13R1.684 CCCNC(=O)N1CCC[C@@H]1CO 962bbbaf072efc476d7a04d4114e70cd [0,1,0,1,0,0|2,0,0]=4 12772 B13R1.684 CCCNC(=O)N1CCC[C@H]1CC edc6c931726f285f59fa28b323ef1aa0 [0,1,0,1,0,0|1,0,0]=3 12773 B13R1.684 CCCNC(=O)N1CCC[C@H]1CF c8925d8c0633257f2bd1eccb63b19ca9 [0,1,0,1,0,0|2,0,0]=4 12774 B13R1.684 CCCNC(=O)N1CCC[C@H]1CO 5b8475f21b938b6cab472946175bad00 [0,1,0,1,0,0|2,0,0]=4 12775 B13R1.684 CCCNC(=O)[C@@H]1CCCN1CC 408f104cc891afa251573870abdbc7d2 [0,1,0,1,0,0|2,0,0]=4 12776 B13R1.684 CCCNC(=O)[C@H]1CCCN1CC 8c900e2ace9d674f7eb33bbc58df5f95 [0,1,0,1,0,0|2,0,0]=4 12777 B13R1.684 CCCNC(=S)N1CCCC1CC 3feba225b82af4e70ce6f6afd1e53661 [0,1,0,1,0,0|1,1,0]=4 12778 B13R1.684 CCCNC(=S)N1CCC[C@H]1CC f56ed55fe274be2982f4e0a78efa2560 [0,1,0,1,0,0|1,1,0]=4 12779 B13R1.684 CCOCC(=O)N1CCCC1CC 0db3ab44cda04578243f0c568f268c45 [0,1,0,1,0,0|1,0,0]=3 12780 B13R1.684 CCOCC(=O)N1CCCC1CO 8a5e9e1a1dd53d49065d0cb7bc25a989 [0,1,0,1,0,0|2,0,0]=4 12781 B13R1.684 CCOCC(=O)N1CCCC1OC 802cf317acc311f662f2f010342f9068 [0,1,0,1,0,0|2,0,0]=4 12782 B13R1.684 CCOCC(=O)N1CCC[C@@H]1CF efaf72325afaee3930e166e55ea1e9ef [0,1,0,1,0,0|2,0,0]=4 12783 B13R1.684 CCOCC(=O)N1CCC[C@@H]1CO 80591b8aaa0afd4714d6f18b68d4b291 [0,1,0,1,0,0|2,0,0]=4 12784 B13R1.684 CCOCC(=O)N1CCC[C@H]1CC e929157b076057b3d0807c3bdad211a9 [0,1,0,1,0,0|1,0,0]=3 12785 B13R1.684 CCOCC(=O)N1CCC[C@H]1CF 5d2c7699c78c52830bc4574f118ba778 [0,1,0,1,0,0|2,0,0]=4 12786 B13R1.684 CCOCC(=O)N1CCC[C@H]1CO 6818ba4ad7aae4a724ef9ffed6a602b1 [0,1,0,1,0,0|2,0,0]=4 12787 B13R1.684 CCSCC(=O)N1CCCC1CC 80bc9579f70c539bfb8592b492563348 [0,1,0,1,0,0|1,0,0]=3 12788 B13R1.684 CCSCC(=O)N1CCCC1CO 53fa9612188f7704a4ffc1be2158d902 [0,1,0,1,0,0|2,0,0]=4 12789 B13R1.684 CCSCC(=O)N1CCCC1OC 4439515775abd117312989e686619ed0 [0,1,0,1,0,0|2,0,0]=4 12790 B13R1.684 CCSCC(=O)N1CCC[C@@H]1CF fca2b74b06a20992883e0ad9b546025e [0,1,0,1,0,0|2,0,0]=4 12791 B13R1.684 CCSCC(=O)N1CCC[C@@H]1CO 2694c9d782dc59d9f20259f3047a59cb [0,1,0,1,0,0|2,0,0]=4 12792 B13R1.684 CCSCC(=O)N1CCC[C@H]1CC 14fde0d995d0586671c24e2350f015df [0,1,0,1,0,0|1,0,0]=3 12793 B13R1.684 CCSCC(=O)N1CCC[C@H]1CF 508924e9006d3158b3935796f77af841 [0,1,0,1,0,0|2,0,0]=4 12794 B13R1.684 CCSCC(=O)N1CCC[C@H]1CO b4eb13a041a178db0179d237336e1294 [0,1,0,1,0,0|2,0,0]=4 12795 B13R1.684 CC[C@@H]1CCCN1C(=O)CCC#N 715bddbd913ca337c9c3c16f607f06fa [0,1,0,1,0,0|1,0,1]=4 12796 B13R1.684 CC[C@@H]1CCCN1C(=O)CCC=O e28fda9acb81a50251fe38c7680e4980 [0,1,0,1,0,0|1,0,1]=4 12797 B13R1.684 CC[C@@H]1CCCN1C(=O)CCCF 586782389097c4483959ece8141c98bb [0,1,0,1,0,0|1,0,0]=3 12798 B13R1.684 CC[C@@H]1CCCN1C(=O)CCCS 6c533268efa6f75298a5a522db40fe5f [0,1,0,1,0,0|1,0,0]=3 12799 B13R1.684 CC[C@@H]1CCCN1C(=O)CCOC a00dc7249159edba79cc4fba2139583f [0,1,0,1,0,0|1,0,0]=3 12800 B13R1.684 CC[C@@H]1CCCN1C(=O)CCSC efd3c19726b3c15b88500f3e66dfefb2 [0,1,0,1,0,0|1,0,0]=3 12801 B13R1.684 CC[C@@H]1CCCN1C(=O)CSSC 12d87387aabe2eb494847414b7469d88 [0,1,0,1,0,0|2,0,0]=4 12802 B13R1.684 CC[C@@H]1CCCN1C(=O)NCCF 4d999f045d88ead7303efe2846cba92d [0,1,0,1,0,0|2,0,0]=4 12803 B13R1.684 CC[C@@H]1CCCN1C(=O)NCCN c2a61ac2e16c3f98a9b1ba3acba392f1 [0,1,0,1,0,0|2,0,0]=4 12804 B13R1.684 CC[C@@H]1CCCN1C(=O)NCCO 5e6666f085d4c0e7c461b7b38bc2ad19 [0,1,0,1,0,0|2,0,0]=4 12805 B13R1.684 CC[C@@H]1CCCN1C(=O)NCCS 9321bf4cb515c09cfea4d264055baa64 [0,1,0,1,0,0|2,0,0]=4 12806 B13R1.684 COC1CCCN1C(=O)CCCF 560afecfcce11f2d47b27131d9345c6a [0,1,0,1,0,0|2,0,0]=4 12807 B13R1.684 COC1CCCN1C(=O)CCCS a12a9a7f5f723c346080cd2a796cc77c [0,1,0,1,0,0|2,0,0]=4 12808 B13R1.684 COC1CCCN1C(=O)CCSC 3ea2efe9da1e3c1d6098935e8d7feebe [0,1,0,1,0,0|2,0,0]=4 12809 B13R1.684 COCCC(=O)N1CCCC1CO ed1f0450bda7dcb121093fb60126e3dd [0,1,0,1,0,0|2,0,0]=4 12810 B13R1.684 COCCC(=O)N1CCCC1OC 60ea5d11571ddd3243680fc9dce4a714 [0,1,0,1,0,0|2,0,0]=4 12811 B13R1.684 COCCC(=O)N1CCC[C@@H]1CF 16719a8a212522f0dab6d48aad49a101 [0,1,0,1,0,0|2,0,0]=4 12812 B13R1.684 COCCC(=O)N1CCC[C@@H]1CO 167f116f17b3dc6bf4f2f8da1d2ebc77 [0,1,0,1,0,0|2,0,0]=4 12813 B13R1.684 COCCC(=O)N1CCC[C@H]1CF d092b65a9ee46c5c201e83605dfcac79 [0,1,0,1,0,0|2,0,0]=4 12814 B13R1.684 COCCC(=O)N1CCC[C@H]1CO fa0fdd3a9d5acbbb3e3003e6c599b5f4 [0,1,0,1,0,0|2,0,0]=4 12815 B13R1.684 CSCCC(=O)N1CCCC1CO 75ed9a1c1532e98b13eec03778569d7a [0,1,0,1,0,0|2,0,0]=4 12816 B13R1.684 CSCCC(=O)N1CCC[C@@H]1CF 0c85d36e0ab57e100f18c7c2519a8636 [0,1,0,1,0,0|2,0,0]=4 12817 B13R1.684 CSCCC(=O)N1CCC[C@@H]1CO b574079977cea9c72d9671bc65f16410 [0,1,0,1,0,0|2,0,0]=4 12818 B13R1.684 CSCCC(=O)N1CCC[C@H]1CF 7b1b8fc7311572c6b8e628e38a70577b [0,1,0,1,0,0|2,0,0]=4 12819 B13R1.684 CSCCC(=O)N1CCC[C@H]1CO 5893b1e2111381226cb2cb40f99e78cc [0,1,0,1,0,0|2,0,0]=4 12820 B13R1.684 O=C(CCCF)N1CCCC1CO 8665c1d24e2be3d239d6e2c8568a797c [0,1,0,1,0,0|2,0,0]=4 12821 B13R1.684 O=C(CCCF)N1CCC[C@@H]1CF df5d3e97c94b1395c7efdfcaff35fae7 [0,1,0,1,0,0|2,0,0]=4 12822 B13R1.684 O=C(CCCF)N1CCC[C@@H]1CO 48a4cf6b7df2a155b13307671f3e046b [0,1,0,1,0,0|2,0,0]=4 12823 B13R1.684 O=C(CCCF)N1CCC[C@H]1CF b57616dbfe31b788103c231054e5e70f [0,1,0,1,0,0|2,0,0]=4 12824 B13R1.684 O=C(CCCF)N1CCC[C@H]1CO 75d5b9b281efe47ee537a395a480e026 [0,1,0,1,0,0|2,0,0]=4 12825 B13R1.684 O=C(CCCS)N1CCCC1CO a6745632e155ad296c5fd34da82fc7a1 [0,1,0,1,0,0|2,0,0]=4 12826 B13R1.684 O=C(CCCS)N1CCC[C@@H]1CF 840e85164dfa01336a52f341b1d3043a [0,1,0,1,0,0|2,0,0]=4 12827 B13R1.684 O=C(CCCS)N1CCC[C@@H]1CO 27eb82224218ce00a2e55154c54c22d3 [0,1,0,1,0,0|2,0,0]=4 12828 B13R1.684 O=C(CCCS)N1CCC[C@H]1CF fddb9d0d1ca37faab8807f67227083a6 [0,1,0,1,0,0|2,0,0]=4 12829 B13R1.684 O=C(CCCS)N1CCC[C@H]1CO cbe7d61e8b093c9c31df0f1684268065 [0,1,0,1,0,0|2,0,0]=4 12830 B13R1.687 CCC1CCN1CC(=O)CCSC 926c1208908233469539d979fdd56d00 [0,1,0,1,0,0|2,0,0]=4 12831 B13R1.687 CCCCC(=O)NC1CCC1OC 49474b3e1a64e15dc53e5d3442b876da [0,1,0,1,0,0|2,0,0]=4 12832 B13R1.687 CCCCC(=O)N[C@@H]1CC[C@@H]1OC 101e163853312977ced6db88b9a0e305 [0,1,0,1,0,0|2,0,0]=4 12833 B13R1.687 CCCCC(=O)N[C@@H]1CC[C@H]1OC c794cc41a2f8b913bc2d21c5f9238d64 [0,1,0,1,0,0|2,0,0]=4 12834 B13R1.687 CCCCC(=O)N[C@H]1CC[C@@H]1OC 8cf98d4eb58e661e2ee9b7dcc0e96e7c [0,1,0,1,0,0|2,0,0]=4 12835 B13R1.687 CCCCC(=O)N[C@H]1CC[C@H]1OC 3c1967ec9f6ff7ed7ef7db8570172372 [0,1,0,1,0,0|2,0,0]=4 12836 B13R1.687 CCCNC(=O)CN1CCC1CC 92bdc479f551ba3b181a461640d98cd1 [0,1,0,1,0,0|2,0,0]=4 12837 B13R1.687 CCCNC(=O)NC1CCC1OC 3b59871daa99ba218f7d3afc1ed67519 [0,1,0,1,0,0|2,0,0]=4 12838 B13R1.687 CCCNC(=O)N[C@@H]1CC[C@@H]1OC 0a9e08d6e74995af8e7e77e6868a7031 [0,1,0,1,0,0|2,0,0]=4 12839 B13R1.687 CCCNC(=O)N[C@@H]1CC[C@H]1OC 61672716a79e036c9110d9f2776cda80 [0,1,0,1,0,0|2,0,0]=4 12840 B13R1.687 CCCNC(=O)N[C@H]1CC[C@@H]1OC 16d26485d3d848b83bca265762bd7955 [0,1,0,1,0,0|2,0,0]=4 12841 B13R1.687 CCCNC(=O)N[C@H]1CC[C@H]1OC 55a6bef730d56b0c36578965f316c086 [0,1,0,1,0,0|2,0,0]=4 12842 B13R1.687 CCCOC(=O)CN1CCC1CC 25979bb0eac3a68ad27d0234759164d6 [0,1,0,1,0,0|2,0,0]=4 12843 B13R1.687 CCOCC(=O)NC1CCC1OC f7a3066dea4a267a1db8d8ed230e1d68 [0,1,0,1,0,0|2,0,0]=4 12844 B13R1.687 CCOCC(=O)N[C@@H]1CC[C@@H]1OC 96f1b1e7d17d3c73bffd79290dc18244 [0,1,0,1,0,0|2,0,0]=4 12845 B13R1.687 CCOCC(=O)N[C@@H]1CC[C@H]1OC a1b3f9251e616eab2accfe92f6bafb42 [0,1,0,1,0,0|2,0,0]=4 12846 B13R1.687 CCOCC(=O)N[C@H]1CC[C@@H]1OC 3f34f9718b22b67ece6552930f5d9f0a [0,1,0,1,0,0|2,0,0]=4 12847 B13R1.687 CCOCC(=O)N[C@H]1CC[C@H]1OC 6d6826043515533922b1a84b558bd107 [0,1,0,1,0,0|2,0,0]=4 12848 B13R1.687 CCSCC(=O)NC1CCC1OC a5a7c32a3e043b905afcb3b164c5b62e [0,1,0,1,0,0|2,0,0]=4 12849 B13R1.687 CCSCC(=O)N[C@@H]1CC[C@@H]1OC c6b9b79a30eec2ebeeb7e84b47c0c218 [0,1,0,1,0,0|2,0,0]=4 12850 B13R1.687 CCSCC(=O)N[C@@H]1CC[C@H]1OC 9d09a6675d3eac7688bee82a21e911b8 [0,1,0,1,0,0|2,0,0]=4 12851 B13R1.687 CCSCC(=O)N[C@H]1CC[C@@H]1OC 48760c754e19d96d37098257e1cbfde9 [0,1,0,1,0,0|2,0,0]=4 12852 B13R1.687 CCSCC(=O)N[C@H]1CC[C@H]1OC 4e54c1c65920ab9896bb28d6aebd8a4e [0,1,0,1,0,0|2,0,0]=4 12853 B13R1.687 COC1CCC1NC(=O)CCCF 2bf39d065ba60cae1a8672f4879af580 [0,1,0,1,0,0|2,0,0]=4 12854 B13R1.687 COC1CCC1NC(=O)CCCS 060dc3d603742b737632ee174eb1079b [0,1,0,1,0,0|2,0,0]=4 12855 B13R1.687 COC1CCC1NC(=O)CCSC 18d4a4e837c1674f249c578deccc9a9f [0,1,0,1,0,0|2,0,0]=4 12856 B13R1.687 COCCC(=O)NC1CCC1OC d6a56956d2df06c40134e230bf1a5126 [0,1,0,1,0,0|2,0,0]=4 12857 B13R1.687 COCCC(=O)N[C@@H]1CC[C@@H]1OC e79251335a63a70ddb8b88808193e640 [0,1,0,1,0,0|2,0,0]=4 12858 B13R1.687 COCCC(=O)N[C@@H]1CC[C@H]1OC 463f873a58f4d88afeb3ff759c88dc30 [0,1,0,1,0,0|2,0,0]=4 12859 B13R1.687 COCCC(=O)N[C@H]1CC[C@@H]1OC a8d8ae1e7f7058be426eea2550e05a14 [0,1,0,1,0,0|2,0,0]=4 12860 B13R1.687 COCCC(=O)N[C@H]1CC[C@H]1OC b4714bcd140623694d825e1b0aea0b23 [0,1,0,1,0,0|2,0,0]=4 12861 B13R1.687 CO[C@@H]1CC[C@@H]1NC(=O)CCCF 04301e101aed56d2393e321c68bd1383 [0,1,0,1,0,0|2,0,0]=4 12862 B13R1.687 CO[C@@H]1CC[C@@H]1NC(=O)CCCS f141c29f2f5480a6f401ce0e4cbd8fc5 [0,1,0,1,0,0|2,0,0]=4 12863 B13R1.687 CO[C@@H]1CC[C@@H]1NC(=O)CCSC 533458b73eccbb8a8e74e27f042531fb [0,1,0,1,0,0|2,0,0]=4 12864 B13R1.687 CO[C@@H]1CC[C@H]1NC(=O)CCCF 71a084725da78ea3987ab8e50e59e5de [0,1,0,1,0,0|2,0,0]=4 12865 B13R1.687 CO[C@@H]1CC[C@H]1NC(=O)CCCS 9ccc23cea6b8c38810d78bed9726ba1e [0,1,0,1,0,0|2,0,0]=4 12866 B13R1.687 CO[C@@H]1CC[C@H]1NC(=O)CCSC 9b7ad540418de9594df97dacd6d26e41 [0,1,0,1,0,0|2,0,0]=4 12867 B13R1.687 CO[C@H]1CC[C@@H]1NC(=O)CCCF 7ed3e167d9ac247e0b406e6825027c44 [0,1,0,1,0,0|2,0,0]=4 12868 B13R1.687 CO[C@H]1CC[C@@H]1NC(=O)CCCS 4a12c2815420300da851614d6d58dd68 [0,1,0,1,0,0|2,0,0]=4 12869 B13R1.687 CO[C@H]1CC[C@@H]1NC(=O)CCSC 96fc100f9fa7fe9e51a479b1160e1f37 [0,1,0,1,0,0|2,0,0]=4 12870 B13R1.687 CO[C@H]1CC[C@H]1NC(=O)CCCF 482c07d2c0a14b462bfb263b72ba58f4 [0,1,0,1,0,0|2,0,0]=4 12871 B13R1.687 CO[C@H]1CC[C@H]1NC(=O)CCCS b8133baea3ffbaca6234d7bef333144d [0,1,0,1,0,0|2,0,0]=4 12872 B13R1.687 CO[C@H]1CC[C@H]1NC(=O)CCSC 97d9fbf5f9328ea9854f23dfb078ac23 [0,1,0,1,0,0|2,0,0]=4 12873 B13R1.1133 CCCCCOC1=C(CCC1=O)C 632741ce01b4a27442fb5d83bc2824c6 [0,1,0,1,0,0|2,0,0]=4 12874 B13R1.1148 CCCCCN1CCCNC(=O)C1 977345f59be0cb18fb21eda8ddc7f4b1 [0,1,0,1,0,0|2,0,0]=4 12875 B13R1.1148 CCCCOC1CCCNC(=O)C1 cada47463aa22069051504f4e72a81c2 [0,1,0,1,0,0|2,0,0]=4 12876 B13R1.1148 CCCOCC1CCCCC(=O)N1 f4305fc4018b2f3f7d2d226dc370e87f [0,1,0,1,0,0|2,0,0]=4 12877 B13R1.2439 CCCCCCOC1CC(C1)OC 4c20e3fd4a92aa46b7b9f4f79341f406 [0,1,0,1,0,0|1,0,1]=4 12878 B13R1.2439 CCCCCCOC1CN(C1)CC ab204276c4e3744b949772715e0c3bb4 [0,1,0,1,0,0|1,0,1]=4 12879 B13R1.2439 CCCCCCO[C@H]1C[C@@H](C1)OC dec88f5d63e81a2913a1261fcfa9f56c [0,1,0,1,0,0|1,0,1]=4 12880 B13R1.2439 CCCCCCO[C@H]1C[C@H](C1)CF 0004a817f83ee0846f7c1a6bb80953c2 [0,1,0,1,0,0|1,0,1]=4 12881 B13R1.2439 CCCCCCO[C@H]1C[C@H](C1)OC 6521e41bc7e31fb6dc34037a710c9b57 [0,1,0,1,0,0|1,0,1]=4 12882 B13R1.2488 C#CCCC(=O)N1CCCCCC1 c3f1fa30db6b26278ca4b73350a4ead1 [0,1,0,1,0,0|1,0,1]=4 12883 B13R1.2488 C/C=C/CC(=O)N1CCCCCC1 d6094f1e70bba59130064480c35b3895 [0,1,0,1,0,0|1,0,1]=4 12884 B13R1.2488 C=CCCC(=O)N1CCCCCC1 11c35a79d7f46461aec4b79ea5aa9fac [0,1,0,1,0,0|1,0,1]=4 12885 B13R1.2488 CC#CCC(=O)N1CCCCCC1 718a5b14603c42454c40f361e33dc6ab [0,1,0,1,0,0|1,0,1]=4 12886 B13R1.2488 CC/C=C/C(=O)N1CCCCCC1 b71289f386caba564984a576188cb6cf [0,1,0,1,0,0|1,0,1]=4 12887 B13R1.2488 CC/C=C\C(=O)N1CCCCCC1 96f67e74bde8c4555176521c42ba707b [0,1,0,1,0,0|1,0,1]=4 12888 B13R1.2488 CCC#CC(=O)N1CCCCCC1 1bc0ab05f65b83dafa1ae6c5787b49ff [0,1,0,1,0,0|1,0,1]=4 12889 B13R1.2488 CCC=CC(=O)N1CCCCCC1 4fb077393a4986dbf0c62f222cd773ba [0,1,0,1,0,0|1,0,1]=4 12890 B13R1.2488 CCCCC(=O)N1CCCCCC1 b06f73644271bca508e353a95bb57c19 [0,1,0,1,0,0|1,0,0]=3 12891 B13R1.2488 CCCCC(=O)N1CCCOCC1 2f80200ab5073a14d80b6dda0cbf83a0 [0,1,0,1,0,0|2,0,0]=4 12892 B13R1.2488 CCCNC(=O)N1CCCCCC1 b240e9ee12220cc2ffed5fe5cafae2b6 [0,1,0,1,0,0|1,0,0]=3 12893 B13R1.2488 CCCNC(=O)N1CCCNCC1 8804999c827df1b98d701ed2e5c1dae6 [0,1,0,1,0,0|2,0,0]=4 12894 B13R1.2488 CCCNC(=O)N1CCCOCC1 494b1a1a821e02e31af9fc8421d8546f [0,1,0,1,0,0|2,0,0]=4 12895 B13R1.2488 CCCNC(=S)N1CCCCCC1 31a927d563f9453404ad7690640e7c49 [0,1,0,1,0,0|1,1,0]=4 12896 B13R1.2488 CCOCC(=O)N1CCCCCC1 c18765889ceff54ab28029a26711916d [0,1,0,1,0,0|1,0,0]=3 12897 B13R1.2488 CCOCC(=O)N1CCCOCC1 bcac01fde6760553e7f69241fe45cafd [0,1,0,1,0,0|2,0,0]=4 12898 B13R1.2488 CCSCC(=O)N1CCCCCC1 2a599e8485c73ac0eeb3bef4d69a4714 [0,1,0,1,0,0|1,0,0]=3 12899 B13R1.2488 CCSCC(=O)N1CCCOCC1 dfa40141cc12c571c4863d1c672fde12 [0,1,0,1,0,0|2,0,0]=4 12900 B13R1.2488 COCCC(=O)N1CCCCCC1 543027ef760d9da367790186064df478 [0,1,0,1,0,0|1,0,0]=3 12901 B13R1.2488 COCCC(=O)N1CCCOCC1 4aa17087763d07d97fc74b541bff7b3c [0,1,0,1,0,0|2,0,0]=4 12902 B13R1.2488 CSCCC(=O)N1CCCCCC1 64c3fe2a06ecadad69fe55ff2037ab98 [0,1,0,1,0,0|1,0,0]=3 12903 B13R1.2488 CSCCC(=O)N1CCCOCC1 3640912ce008ce7e4ab736e88d6af54e [0,1,0,1,0,0|2,0,0]=4 12904 B13R1.2488 CSSCC(=O)N1CCCCCC1 56931a99c896c87da3c62ddd37a4f542 [0,1,0,1,0,0|2,0,0]=4 12905 B13R1.2488 N#CCCC(=O)N1CCCCCC1 9483545751a55fb7b645636dbdc1bd45 [0,1,0,1,0,0|1,0,1]=4 12906 B13R1.2488 NCCNC(=O)N1CCCCCC1 0514a8b49a12498a61c04629045111ee [0,1,0,1,0,0|2,0,0]=4 12907 B13R1.2488 O=C(CCCF)N1CCCCCC1 734a131ec6fc037462236d0e0032cdc0 [0,1,0,1,0,0|1,0,0]=3 12908 B13R1.2488 O=C(CCCF)N1CCCOCC1 aa6b0b7f9913fa1b715445a809ab42c9 [0,1,0,1,0,0|2,0,0]=4 12909 B13R1.2488 O=C(CCCS)N1CCCCCC1 172fdb533b9489596f4f2f088bd4d7ef [0,1,0,1,0,0|1,0,0]=3 12910 B13R1.2488 O=C(CCCS)N1CCCOCC1 1507216644d34ded5d8e47da499851b7 [0,1,0,1,0,0|2,0,0]=4 12911 B13R1.2488 O=C(NCCF)N1CCCCCC1 4b7ee46bdd47acde44651941f00beb41 [0,1,0,1,0,0|2,0,0]=4 12912 B13R1.2488 O=C(NCCO)N1CCCCCC1 c8ba0def8b3caef6acc5ef774b522eb7 [0,1,0,1,0,0|2,0,0]=4 12913 B13R1.2488 O=C(NCCS)N1CCCCCC1 9be1feda66f7e062ff350e9f9cb4c6f7 [0,1,0,1,0,0|2,0,0]=4 12914 B13R1.2488 O=CCCC(=O)N1CCCCCC1 b756e3618d4bf9a5c021211286b18188 [0,1,0,1,0,0|1,0,1]=4 12915 B13R1.3580 CCCCC(=O)OCNC1CC1C 819202ad72437494f11b74acbdcee00e [0,1,0,1,0,0|1,0,0]=3 12916 B13R1.3580 CCCCC(=O)OCN[C@@H]1C[C@H]1F 73d2c413882833249faa2558ed8d11f6 [0,1,0,1,0,0|2,0,0]=4 12917 B13R1.3580 CCCCC(=O)OCN[C@H]1C[C@@H]1F da29808ef62411cb038ca579d80405f9 [0,1,0,1,0,0|2,0,0]=4 12918 B13R1.3580 CCCCC(=O)OCN[C@H]1C[C@H]1F 55a930258c758f5e7b4787367b424fe2 [0,1,0,1,0,0|2,0,0]=4 12919 B13R1.3580 CCCNC(=O)COCC1CC1C 851602fe5280c83c47b3100515a6cb52 [0,1,0,1,0,0|2,0,0]=4 12920 B13R1.3580 CCCNC(=O)COC[C@@H]1C[C@@H]1C fc6ce455a1a1d4c9851d16cb4ed94653 [0,1,0,1,0,0|2,0,0]=4 12921 B13R1.3580 CCCNC(=O)COC[C@@H]1C[C@H]1C c280afc7ccbe4fd272e6d6ec778a4660 [0,1,0,1,0,0|2,0,0]=4 12922 B13R1.3580 CCCNC(=O)COC[C@H]1C[C@@H]1C 75345f9cfaa9377b24d51e9ae143e78a [0,1,0,1,0,0|2,0,0]=4 12923 B13R1.3580 CCCOC(=O)COCC1CC1C 0a0b9326c1dca19d302b3b383867341e [0,1,0,1,0,0|2,0,0]=4 12924 B13R1.3580 CCCOC(=O)COC[C@@H]1C[C@@H]1C 3cb4b1fa5e89212729eabf74dd925856 [0,1,0,1,0,0|2,0,0]=4 12925 B13R1.3580 CCCOC(=O)COC[C@@H]1C[C@H]1C 6832610dbc5a280855c99f5f4ffcc5bf [0,1,0,1,0,0|2,0,0]=4 12926 B13R1.3580 CCCOC(=O)COC[C@H]1C[C@@H]1C 6a70894a30f2a8c6201053fd0a9817aa [0,1,0,1,0,0|2,0,0]=4 12927 B13R1.3580 CCCOC(=O)OCNC1CC1C a6f10b38ebea70ea6ddefbbf8effbb79 [0,1,0,1,0,0|1,0,0]=3 12928 B13R1.3580 CCCOC(=O)OCN[C@@H]1C[C@H]1F e17a075f81cb46ec3241d1590dc0e47b [0,1,0,1,0,0|2,0,0]=4 12929 B13R1.3580 CCCOC(=O)OCN[C@H]1C[C@@H]1F b2ead1411111371e2768d068096e80e4 [0,1,0,1,0,0|2,0,0]=4 12930 B13R1.3580 CCCOC(=O)OCN[C@H]1C[C@H]1F fdf21840d8914ad970bfcb143f5ff0c7 [0,1,0,1,0,0|2,0,0]=4 12931 B13R1.3580 CSCCC(=O)COCC1CC1C 4d3a4ca8d45f721efa942869c78ca872 [0,1,0,1,0,0|2,0,0]=4 12932 B13R1.3580 CSCCC(=O)COC[C@@H]1C[C@@H]1C 9c46c3805174242ac0f50bcb10611fa7 [0,1,0,1,0,0|2,0,0]=4 12933 B13R1.3580 CSCCC(=O)COC[C@@H]1C[C@H]1C 858b54e4aec8eeb2e11773021bc3c481 [0,1,0,1,0,0|2,0,0]=4 12934 B13R1.3580 CSCCC(=O)COC[C@H]1C[C@@H]1C 6c1e54ed390498b6f2b183c132a37002 [0,1,0,1,0,0|2,0,0]=4 12935 B13R1.3910 CCCN1CCNC(=O)C1CCO 4ec41fa9141ac878ded5c9d928dd7e18 [0,1,0,1,0,0|2,0,0]=4 12936 B13R1.20 CC1CCCC(C1)NC(=O)CCF 343add9e87f66e75ef9977bd871cc764 [0,1,0,1,0,0|2,0,0]=4 12937 B13R1.20 CCCC(=O)CN1CCCC(C1)C 75fd9abee1c99510efb25ab850900de4 [0,1,0,1,0,0|2,0,0]=4 12938 B13R1.20 CCCC(=O)CN1CCCC(C1)F f4393e129bb8f4580d1f74a2190b9702 [0,1,0,1,0,0|2,0,0]=4 12939 B13R1.20 CCCC(=O)CN1CCCC(C1)O 3cc42098d4a52c18b8d436a31a3e6745 [0,1,0,1,0,0|2,0,0]=4 12940 B13R1.20 CCCC(=O)CN1CCC[C@@H](C1)C e52dd8a69ab37cb687559ba1d7a57a5e [0,1,0,1,0,0|2,0,0]=4 12941 B13R1.20 CCCC(=O)CN1CCC[C@@H](C1)F dc4ecf58d7d9a08704bf992c8329917f [0,1,0,1,0,0|2,0,0]=4 12942 B13R1.20 CCCC(=O)CN1CCC[C@@H](C1)O b1609801d65df26508137fcb340b3279 [0,1,0,1,0,0|2,0,0]=4 12943 B13R1.20 CCCC(=O)CN1CCC[C@H](C1)C c42b9b3b69c24b5b2f1f28fba6901469 [0,1,0,1,0,0|2,0,0]=4 12944 B13R1.20 CCCC(=O)CN1CCC[C@H](C1)F 12aea272131d7bd9ffb75872af37fb0b [0,1,0,1,0,0|2,0,0]=4 12945 B13R1.20 CCCC(=O)CN1CCC[C@H](C1)O 3748b9521bb49bcd744984288bd9d0d2 [0,1,0,1,0,0|2,0,0]=4 12946 B13R1.20 CCCC(=O)NC1CCCC(C1)C 496904da903e81dd5f48bc8788cc083c [0,1,0,1,0,0|1,0,0]=3 12947 B13R1.20 CCCC(=O)NC1CCCC(C1)O 030ffbc7805b386a377491cf5ce66fa4 [0,1,0,1,0,0|1,0,0]=3 12948 B13R1.20 CCCC(=O)NC1CCCN(C1)C 85dd33e1cd6d0af95a888ab8ee1a3bc9 [0,1,0,1,0,0|2,0,0]=4 12949 B13R1.20 CCCC(=O)NC1CCOC(C1)C 95e667173b517c9ae7a200ba80f16a8c [0,1,0,1,0,0|2,0,0]=4 12950 B13R1.20 CCCC(=O)NC1COCC(C1)O 12f161c228d3be2670540c049fc770eb [0,1,0,1,0,0|2,0,0]=4 12951 B13R1.20 CCCC(=O)N[C@@H]1CCCN(C1)C 947eff39ffebd76bf80793288c550ac6 [0,1,0,1,0,0|2,0,0]=4 12952 B13R1.20 CCCC(=O)N[C@@H]1CCC[C@@H](C1)O d98b728263b7a4f71f58b50e7eed2473 [0,1,0,1,0,0|1,0,0]=3 12953 B13R1.20 CCCC(=O)N[C@@H]1CCC[C@H](C1)C 7238baaf0a6fcdc57ab0a1c39da1aab0 [0,1,0,1,0,0|1,0,0]=3 12954 B13R1.20 CCCC(=O)N[C@@H]1CCC[C@H](C1)O b8cc45e6e190cecb01977ba9e7b9fd37 [0,1,0,1,0,0|1,0,0]=3 12955 B13R1.20 CCCC(=O)N[C@@H]1CCO[C@@H](C1)C 76e2c7157fedb82f7f48efe89f7ae31d [0,1,0,1,0,0|2,0,0]=4 12956 B13R1.20 CCCC(=O)N[C@@H]1CCO[C@H](C1)C 99cc275508dda43d0e3e6e36bd5f2678 [0,1,0,1,0,0|2,0,0]=4 12957 B13R1.20 CCCC(=O)N[C@@H]1COC[C@@H](C1)O ab1bd4f80be073fd61f6664f5828bb8e [0,1,0,1,0,0|2,0,0]=4 12958 B13R1.20 CCCC(=O)N[C@H]1CCCN(C1)C ba1a8ab61d6902166bd1804b8604f9ce [0,1,0,1,0,0|2,0,0]=4 12959 B13R1.20 CCCC(=O)N[C@H]1CCC[C@@H](C1)O 946b1db4dd61754e32ebc38f53fa0bf1 [0,1,0,1,0,0|1,0,0]=3 12960 B13R1.20 CCCC(=O)N[C@H]1CCC[C@H](C1)O d2cabf3f2180f79fbc7ea720b5e253f0 [0,1,0,1,0,0|1,0,0]=3 12961 B13R1.20 CCCC(=O)N[C@H]1CCO[C@@H](C1)C 245246dd532f339ccfe56807b6c3e58c [0,1,0,1,0,0|2,0,0]=4 12962 B13R1.20 CCCC(=O)N[C@H]1CCO[C@H](C1)C ef808f747a676c11749383d6d74011ca [0,1,0,1,0,0|2,0,0]=4 12963 B13R1.20 CCCC(=O)N[C@H]1COC[C@H](C1)O 1bc6f949979678914b783badd89649a7 [0,1,0,1,0,0|2,0,0]=4 12964 B13R1.20 CCCC(=S)OC1CCCC(=O)C1 1884fda65d62053a5c662a840a7e2425 [0,1,0,1,0,0|0,1,1]=4 12965 B13R1.20 CCCC(=S)O[C@@H]1CCCN(C1)C 143bc8b60fd80fede811650fc0ef0e59 [0,1,0,1,0,0|1,1,0]=4 12966 B13R1.20 CCCC(=S)O[C@H]1CCCN(C1)C b6c3ef61766aa4c9af3e677a8e1192c5 [0,1,0,1,0,0|1,1,0]=4 12967 B13R1.20 CCCC(C)CN1CCCC(=O)C1 024e6964eb693594cb352ad75c297d6b [0,1,0,1,0,0|2,0,0]=4 12968 B13R1.20 CCCC(C)NC1CCCC(=O)C1 9a1548319e70ab8866bafd5fb13474ad [0,1,0,1,0,0|2,0,0]=4 12969 B13R1.20 CCCC(C)OC1CCCC(C1)C c2140f4010371cd47b5ddcf25d5f056f [0,1,0,1,0,0|1,0,1]=4 12970 B13R1.20 CCCC(C)O[C@@H]1CCC[C@@H](C1)C d3ae220d0f9124c408762c9b2efe5fe8 [0,1,0,1,0,0|1,0,1]=4 12971 B13R1.20 CCCC(C)O[C@H]1CCC[C@@H](C1)C 86ea98eceff5f9d1b56aebb26cff28a3 [0,1,0,1,0,0|1,0,1]=4 12972 B13R1.20 CCCC(C)O[C@H]1CCC[C@H](C1)C cb772bcf0f0dc22fc28f5de9c45deb9d [0,1,0,1,0,0|1,0,1]=4 12973 B13R1.20 CCC[C@H](C)NC1CCCC(=O)C1 faa1dc208c3c49e14fac7316da156a87 [0,1,0,1,0,0|2,0,0]=4 12974 B13R1.20 COCC(=O)NC1CCCC(C1)C 8e8f987807634be03c9cd6a93132c310 [0,1,0,1,0,0|2,0,0]=4 12975 B13R1.20 COCC(=O)NC1CCCC(C1)O 0be92aa7d6e2c7b4341bed3983372196 [0,1,0,1,0,0|2,0,0]=4 12976 B13R1.20 COCC(=O)N[C@@H]1CCC[C@@H](C1)O eea72c60e8394d8635d67262df7f55be [0,1,0,1,0,0|2,0,0]=4 12977 B13R1.20 COCC(=O)N[C@@H]1CCC[C@H](C1)C 65578e8a6852e259c3c915e3338afdf9 [0,1,0,1,0,0|2,0,0]=4 12978 B13R1.20 COCC(=O)N[C@@H]1CCC[C@H](C1)O 4dbe0dfb12c4784a4e1e07e8b7b44dad [0,1,0,1,0,0|2,0,0]=4 12979 B13R1.20 COCC(=O)N[C@H]1CCC[C@@H](C1)O c05ab53aae379f5dd37455461b004cc9 [0,1,0,1,0,0|2,0,0]=4 12980 B13R1.20 COCC(=O)N[C@H]1CCC[C@H](C1)O 9513e36258476293861a2f4966a25472 [0,1,0,1,0,0|2,0,0]=4 12981 B13R1.20 C[C@@H]1CCC[C@H](C1)NC(=O)CCF f3ec11eea33473c34bc33a088113a76b [0,1,0,1,0,0|2,0,0]=4 12982 B13R1.20 O=C(CCF)NC1CCCC(C1)O ad549b4bd52e1a7a5372fbd75e1b9c7b [0,1,0,1,0,0|2,0,0]=4 12983 B13R1.20 O=C(CCF)N[C@@H]1CCC[C@@H](C1)O f128c05f861ec80d6e4b18bf13db9b31 [0,1,0,1,0,0|2,0,0]=4 12984 B13R1.20 O=C(CCF)N[C@@H]1CCC[C@H](C1)O 3d139286ec6024488db5667f45d32a59 [0,1,0,1,0,0|2,0,0]=4 12985 B13R1.20 O=C(CCF)N[C@H]1CCC[C@@H](C1)O e6955d3a6efec4ee7b11ee374f8486b6 [0,1,0,1,0,0|2,0,0]=4 12986 B13R1.20 O=C(CCF)N[C@H]1CCC[C@H](C1)O 92cd47dc05b98e7fcf0a73f3fa81be33 [0,1,0,1,0,0|2,0,0]=4 12987 B13R1.20 O=C(CCO)NC1CCCC(C1)O 756923c0e77dcdc1252db055cb2e8cbe [0,1,0,1,0,0|2,0,0]=4 12988 B13R1.20 O=C(CCO)N[C@@H]1CCC[C@@H](C1)O 6bd59d8b39da7427762fca70b62ae504 [0,1,0,1,0,0|2,0,0]=4 12989 B13R1.20 O=C(CCO)N[C@@H]1CCC[C@H](C1)O b13f0e98111e7c161716f842710d2ddb [0,1,0,1,0,0|2,0,0]=4 12990 B13R1.20 O=C(CCO)N[C@H]1CCC[C@@H](C1)O fd44af604ab0cfaee25cc82d0afaf5c2 [0,1,0,1,0,0|2,0,0]=4 12991 B13R1.20 O=C(CCO)N[C@H]1CCC[C@H](C1)O 2f69be22c0ed89cccbffe8be149a1bd0 [0,1,0,1,0,0|2,0,0]=4 12992 B13R1.20 O=C(CCS)NC1CCCC(C1)O b5a1b909ed93d90d2e66586690d9844f [0,1,0,1,0,0|2,0,0]=4 12993 B13R1.20 O=C(CCS)N[C@@H]1CCC[C@@H](C1)O 665f9081d95b998bb2475e45fc97e901 [0,1,0,1,0,0|2,0,0]=4 12994 B13R1.20 O=C(CCS)N[C@@H]1CCC[C@H](C1)O 3e45bcbaa33caed2e8ec13413a72cd76 [0,1,0,1,0,0|2,0,0]=4 12995 B13R1.20 O=C(CCS)N[C@H]1CCC[C@@H](C1)O 5d92fdf19c854c8048f71cfebfc61972 [0,1,0,1,0,0|2,0,0]=4 12996 B13R1.20 O=C(CCS)N[C@H]1CCC[C@H](C1)O a06676f4ee852ffc882b05b8ba3cff18 [0,1,0,1,0,0|2,0,0]=4 12997 B13R1.33 CC(NC(=O)CCF)C1CCCC1 5c264dfdc19b94f9cf9b0c5dbc686487 [0,1,0,1,0,0|2,0,0]=4 12998 B13R1.33 CC(NC(=O)CCS)C1CCCC1 f3cb50f71d142e26efa67961d3af7a6a [0,1,0,1,0,0|2,0,0]=4 12999 B13R1.33 CCCC(=O)CN(C)C1CCCC1 e634f7b7441bda5a34910a7fb84b315b [0,1,0,1,0,0|2,0,0]=4 13000 B13R1.33 CCCC(=O)NC(C)C1CCCC1 83d78d4b24c0db5517126c423f60f377 [0,1,0,1,0,0|1,0,0]=3 13001 B13R1.33 CCCC(=O)NC(C)C1CCCO1 c5bade17619fc23120fbb7a9adae7f97 [0,1,0,1,0,0|2,0,0]=4 13002 B13R1.33 CCCC(=O)N[C@@H](C)[C@@H]1CCCO1 502e37cf8f55c6c805596b5afb8ac422 [0,1,0,1,0,0|2,0,0]=4 13003 B13R1.33 CCCC(=O)N[C@H](C)C1CCOC1 aa70862456fd6be8f4fdc700fdd275f9 [0,1,0,1,0,0|2,0,0]=4 13004 B13R1.33 CCCC(C)OC(C)C1CCCC1 de569a4bff76a59c40c1ebfad09cff2c [0,1,0,1,0,0|1,0,1]=4 13005 B13R1.33 COCC(=O)NC(C)C1CCCC1 a8841f70b01c99b373aa94d4f420e96f [0,1,0,1,0,0|2,0,0]=4 13006 B13R1.33 CSCC(=O)NC(C)C1CCCC1 04adbaf09c14d052b68200c0e7b95673 [0,1,0,1,0,0|2,0,0]=4 13007 B13R1.156 CCCCCC(C)OC1CCCC1 fcf421be65b122507d78bdccc35b5957 [0,1,0,1,0,0|1,0,1]=4 13008 B13R1.156 CCCCCC(C)OC1CCCO1 581501b024600b25cfce98c2fb6522b3 [0,1,0,1,0,0|0,0,2]=4 13009 B13R1.156 CCCCC[C@@H](C)OC1CCCC1 866905d4b2331aace204cf9025d52908 [0,1,0,1,0,0|1,0,1]=4 13010 B13R1.156 CCCCC[C@H](C)OC1CCCC1 887d30ed82337d64f5a839f35a6d38e3 [0,1,0,1,0,0|1,0,1]=4 13011 B13R1.156 CCCCC[C@H](C)OC1CCCO1 b63071f097e6240e1515b0f109a48615 [0,1,0,1,0,0|0,0,2]=4 13012 B13R1.689 CCCC(=O)CN1CCC(C1)CC be4d888976dd152645e9aa040281b404 [0,1,0,1,0,0|2,0,0]=4 13013 B13R1.689 CCCC(=O)NC1CCC(C1)CO 1126e2f932437f8c74f2697e5d503e0e [0,1,0,1,0,0|2,0,0]=4 13014 B13R1.689 CCCC(=O)NC1CCN(C1)CC 302f37f373e3fb0a0af4007124f071bf [0,1,0,1,0,0|2,0,0]=4 13015 B13R1.689 CCCC(=O)N[C@@H]1CCN(C1)CC fedf03a1a4a77b41b68689792fdc7856 [0,1,0,1,0,0|2,0,0]=4 13016 B13R1.689 CCCC(=O)N[C@@H]1CC[C@@H](C1)CO 10b90fc15b33f72acf8c813ac3657703 [0,1,0,1,0,0|2,0,0]=4 13017 B13R1.689 CCCC(=O)N[C@@H]1CC[C@@H](C1)OC 76c0b459ef60a58b9d4f4a16cc64e6a3 [0,1,0,1,0,0|2,0,0]=4 13018 B13R1.689 CCCC(=O)N[C@@H]1CC[C@H](C1)CO 929b652790c3bf58dd77977c9e8f5fdb [0,1,0,1,0,0|2,0,0]=4 13019 B13R1.689 CCCC(=O)N[C@H]1CCN(C1)CC 5764caa3c9c0ef235b7222ba4ac2e7bb [0,1,0,1,0,0|2,0,0]=4 13020 B13R1.689 CCCC(=O)N[C@H]1CC[C@@H](C1)CO 016c53bf749af56b13584aa33e8e2dbc [0,1,0,1,0,0|2,0,0]=4 13021 B13R1.689 CCCC(=O)N[C@H]1CC[C@H](C1)CO bcaeeb94dde6332991589aae771c2f6b [0,1,0,1,0,0|2,0,0]=4 13022 B13R1.689 CCCC(=S)OC1CCC(C1)OC 57a4771b207de775540902c664b2f4eb [0,1,0,1,0,0|1,1,0]=4 13023 B13R1.689 CCCC(=S)OC1CCN(C1)CC 137c1e3abc4e617d34738032cc53f604 [0,1,0,1,0,0|1,1,0]=4 13024 B13R1.727 CCCCCC(C)OC1CC(C1)C 351cd421d3892bcd844fd4c745d01c0f [0,1,0,1,0,0|1,0,1]=4 13025 B13R1.727 CCCCC[C@H](C)OC1CC(C1)C a5f12a900f783310cd3449b0185f833c [0,1,0,1,0,0|1,0,1]=4 13026 B13R1.1601 CCCCN1[C@@H](CC(=O)C[C@@H]1C)C 21b0925854d17bb8e6fb9408b07649e2 [0,1,0,1,0,0|2,0,0]=4 13027 B13R1.2570 CC1(CCCCC1)NC(=O)CCF eb7b4cf0c7cda8589b60e08638fd5afe [0,1,0,1,0,0|2,0,0]=4 13028 B13R1.2570 CC1(CCCCC1)NC(=O)CCO 6df71db53ff698114283f5280bc73b2d [0,1,0,1,0,0|2,0,0]=4 13029 B13R1.2570 CC1(CCCCC1)NC(=O)CCS 3e2c2b007eb7634b984f810f9f8a9add [0,1,0,1,0,0|2,0,0]=4 13030 B13R1.2570 CCCC(=O)NC1(CCCCC1)C b88b37a6e24b9a628e96df77936cf66a [0,1,0,1,0,0|1,0,0]=3 13031 B13R1.2570 CCCC(=O)NC1(CCOCC1)C dc08b1ce6b421ca192007f4ef1e54059 [0,1,0,1,0,0|2,0,0]=4 13032 B13R1.2570 COCC(=O)NC1(CCCCC1)C 735827b23de59eb0b0bf420bb36c5e38 [0,1,0,1,0,0|2,0,0]=4 13033 B13R1.2845 CCOC(=O)OC(C)NC1CC1C 57b5414311e18f6d8875eb265846fb8e [0,1,0,1,0,0|2,0,0]=4 13034 B13R1.2846 CCCC(=O)CN(C)CC1CCC1 56fa67a62f286110c7a0cfa28baff6d9 [0,1,0,1,0,0|2,0,0]=4 13035 B13R1.2846 CCOC(=O)OC(C)OC1CCC1 f5b2f4cce2710e5657995e4c88f47281 [0,1,0,1,0,0|2,0,0]=4 13036 B13R1.2847 CCOC(=O)OC(C)NCC1CC1 3c9ea79c9e7067cee21fd194f6f3c160 [0,1,0,1,0,0|2,0,0]=4 13037 B13R1.2847 CCOC(=O)OC(C)OCC1CC1 595011f7ff9a1a468f6ecb48a32b3a1e [0,1,0,1,0,0|2,0,0]=4 13038 B13R1.2969 CCCCCC(C)OC(C)C1CC1 6f2c5e3b107333d1184aa33937bf9ef8 [0,1,0,1,0,0|1,0,1]=4 13039 B13R1.2969 CCCCCC(C)O[C@@H](C)C1CC1 f9ae98bcf376a99509b635472ace5edb [0,1,0,1,0,0|1,0,1]=4 13040 B13R1.2969 CCCCCC(C)O[C@H](C)C1CC1 aaf17e8c385a4ba4399aa03eb55c36fe [0,1,0,1,0,0|1,0,1]=4 13041 B13R1.2969 CCCCCN(C)CC(=O)C1CC1 92f74c4d197cdd403a2f1ba5bded8e58 [0,1,0,1,0,0|2,0,0]=4 13042 B13R1.2969 CCCCC[C@@H](C)OC(C)C1CC1 fd4ebdf23ec147dbea47e23ea52fc7b2 [0,1,0,1,0,0|1,0,1]=4 13043 B13R1.2969 CCCCC[C@H](C)OC(C)C1CC1 3e401bb3714756503f71b4b9d88ac899 [0,1,0,1,0,0|1,0,1]=4 13044 B13R1.2969 CCCCC[C@H](C)O[C@@H](C)C1CC1 2efd9a1b97dc6529d2e28148bcd17802 [0,1,0,1,0,0|1,0,1]=4 13045 B13R1.2969 CCCCC[C@H](C)O[C@H](C)C1CC1 38063dfd41f6050ba7ba5174f9ae5945 [0,1,0,1,0,0|1,0,1]=4 13046 B13R1.4034 CCCC(=O)CN1CC(C1)CCC ceca14d00e6a96ae1bfd1c238f5ca51d [0,1,0,1,0,0|2,0,0]=4 13047 B13R1.4034 CCCC(=O)NC1CC(C1)COC ca0a1c8c87dc69ab721a49c186857ab5 [0,1,0,1,0,0|2,0,0]=4 13048 B13R1.4453 CC1CCCC(N1C(=O)CCF)C edebf8d8a70ce2ba598a53ea2e55daf8 [0,1,0,1,0,0|2,0,0]=4 13049 B13R1.4453 CC1CCCC(N1C(=O)CCO)C 1774843b639ba323bf5a14d1a24951ef [0,1,0,1,0,0|2,0,0]=4 13050 B13R1.4453 CC1CCCC(N1C(=O)CCS)C 432c939806ea723f19b029910635e0a3 [0,1,0,1,0,0|2,0,0]=4 13051 B13R1.4453 CCCC(=O)N1C(CCCC1C)C 73c621d9354c94a6b5d53e360d298cad [0,1,0,1,0,0|1,0,0]=3 13052 B13R1.4453 CCCC(=O)N1C(COCC1C)C a2132754cb9c279c828b1a490c33c69d [0,1,0,1,0,0|2,0,0]=4 13053 B13R1.4453 CCCC(=O)N1[C@@H](CCC[C@@H]1C)C dea820493ab89976e7857997d5d0f950 [0,1,0,1,0,0|1,0,0]=3 13054 B13R1.4453 CCCC(=O)N1[C@@H](CCC[C@H]1C)C 8bd35e3ff5d4cdd71686693204804123 [0,1,0,1,0,0|1,0,0]=3 13055 B13R1.4453 CCCC(=O)N1[C@@H](COC[C@@H]1C)C 203d7ce9f42e6ccc4727a47cb089460b [0,1,0,1,0,0|2,0,0]=4 13056 B13R1.4453 CCCC(=O)N1[C@@H](COC[C@H]1C)C 28a5e29ff78097cefe66c55a8526d49f [0,1,0,1,0,0|2,0,0]=4 13057 B13R1.4453 CCCC(=O)N1[C@H](CCC[C@@H]1C)C 23b1ad5b19d1f7347fcd432e6c310cb0 [0,1,0,1,0,0|1,0,0]=3 13058 B13R1.4453 CCCC(=O)N1[C@H](COC[C@@H]1C)C fbcee6fb45676fea89da81f914e497eb [0,1,0,1,0,0|2,0,0]=4 13059 B13R1.4453 COCC(=O)N1C(CCCC1C)C 9ea3e76378edeb59d1e755c31e023996 [0,1,0,1,0,0|2,0,0]=4 13060 B13R1.4453 COCC(=O)N1[C@@H](CCC[C@@H]1C)C fc6f2f2d4b88d0dda2aca9e61f6cdfe1 [0,1,0,1,0,0|2,0,0]=4 13061 B13R1.4453 COCC(=O)N1[C@@H](CCC[C@H]1C)C d33afd6fa0e559f085867c88fdfc4197 [0,1,0,1,0,0|2,0,0]=4 13062 B13R1.4453 COCC(=O)N1[C@H](CCC[C@@H]1C)C 1f1dbbec0fa82d6bb3a0fa3e154c86a3 [0,1,0,1,0,0|2,0,0]=4 13063 B13R1.4453 CSCC(=O)N1C(CCCC1C)C 7033c020df0111ea86ec31c8d2ffc720 [0,1,0,1,0,0|2,0,0]=4 13064 B13R1.4453 CSCC(=O)N1[C@@H](CCC[C@@H]1C)C afc749819f8f9f210ae2fb3a7db2545f [0,1,0,1,0,0|2,0,0]=4 13065 B13R1.4453 CSCC(=O)N1[C@@H](CCC[C@H]1C)C f2a9c3ae157658f99a5aa5cefa40b85c [0,1,0,1,0,0|2,0,0]=4 13066 B13R1.4453 CSCC(=O)N1[C@H](CCC[C@@H]1C)C 060178b048776330b4b593e5b01d74d8 [0,1,0,1,0,0|2,0,0]=4 13067 B13R1.4453 C[C@@H]1CCC[C@@H](N1C(=O)CCF)C e7ba8c3564f13fe78003432236b5ec4c [0,1,0,1,0,0|2,0,0]=4 13068 B13R1.4453 C[C@@H]1CCC[C@@H](N1C(=O)CCO)C bb8a5cff7a498142f312250c0ed9dd20 [0,1,0,1,0,0|2,0,0]=4 13069 B13R1.4453 C[C@@H]1CCC[C@@H](N1C(=O)CCS)C ba360a1de57e25a113d6f9351a993198 [0,1,0,1,0,0|2,0,0]=4 13070 B13R1.4453 C[C@@H]1CCC[C@H](N1C(=O)CCF)C d10cc02cc6fd678fcd2bfdd35d530b1e [0,1,0,1,0,0|2,0,0]=4 13071 B13R1.4453 C[C@@H]1CCC[C@H](N1C(=O)CCO)C 74eaec7545de65e3d3f66a6accb40511 [0,1,0,1,0,0|2,0,0]=4 13072 B13R1.4453 C[C@@H]1CCC[C@H](N1C(=O)CCS)C 528a3bf8c8ec96e70e41e90194800702 [0,1,0,1,0,0|2,0,0]=4 13073 B13R1.4453 C[C@H]1CCC[C@@H](N1C(=O)CCF)C c0235c7ff1576b68a5a45cb9ed008a55 [0,1,0,1,0,0|2,0,0]=4 13074 B13R1.4453 C[C@H]1CCC[C@@H](N1C(=O)CCO)C 35c6f0a82dacb48c233a8a5fe62c2dcd [0,1,0,1,0,0|2,0,0]=4 13075 B13R1.4453 C[C@H]1CCC[C@@H](N1C(=O)CCS)C 7764a0c6d75f8f7e2f99ceec04c40841 [0,1,0,1,0,0|2,0,0]=4 13076 B13R1.12 CC1C(CCCN1C(=O)CCF)O 4373329bde44c76b975f2baceeb02b63 [0,1,0,1,0,0|2,0,0]=4 13077 B13R1.12 CC1C(CCCN1C(=O)CCO)O 6158756084231d9e5d5c5480c2d345ed [0,1,0,1,0,0|2,0,0]=4 13078 B13R1.12 CC1C(CCCN1C(=O)CCS)O 3a2054ff18fda526108682154972b445 [0,1,0,1,0,0|2,0,0]=4 13079 B13R1.12 CCCC(=O)N1CCCC(C1C)O 363a41e404c3377fd384e854c84f790f [0,1,0,1,0,0|1,0,0]=3 13080 B13R1.12 CCCC(=O)N1CCC[C@@H]([C@H]1C)O 48f4de1d75dbdd78af530765a9a7f76b [0,1,0,1,0,0|1,0,0]=3 13081 B13R1.12 CCCC(=O)N1CCC[C@H]([C@@H]1C)O 7fc86726758c10dcdcbee3bae58e6e97 [0,1,0,1,0,0|1,0,0]=3 13082 B13R1.12 COCC(=O)N1CCCC(C1C)O d2f7d252e1f0fa19196d9be28c600d5e [0,1,0,1,0,0|2,0,0]=4 13083 B13R1.12 COCC(=O)N1CCC[C@@H]([C@H]1C)O aa55e355f9350cf8e2db880e5446ce4a [0,1,0,1,0,0|2,0,0]=4 13084 B13R1.12 COCC(=O)N1CCC[C@H]([C@@H]1C)O eb4a7721630596354d02ae19df3721e0 [0,1,0,1,0,0|2,0,0]=4 13085 B13R1.12 CSCC(=O)N1CCCC(C1C)O 3e39573895c8811930896bdf14b15040 [0,1,0,1,0,0|2,0,0]=4 13086 B13R1.12 CSCC(=O)N1CCC[C@@H]([C@H]1C)O f54d8b25e128bb057eec2763219ee6be [0,1,0,1,0,0|2,0,0]=4 13087 B13R1.12 CSCC(=O)N1CCC[C@H]([C@@H]1C)O 6b86571912f7fa4235868443c606cd66 [0,1,0,1,0,0|2,0,0]=4 13088 B13R1.12 C[C@@H]1[C@H](CCCN1C(=O)CCF)O be0266a15553c04dca667fc6b5762eaa [0,1,0,1,0,0|2,0,0]=4 13089 B13R1.12 C[C@@H]1[C@H](CCCN1C(=O)CCO)O 80daa41aa921ea891feb067e47efd826 [0,1,0,1,0,0|2,0,0]=4 13090 B13R1.12 C[C@@H]1[C@H](CCCN1C(=O)CCS)O d71c5dfaf6c1e8b82ba6bbe71a4e0a6f [0,1,0,1,0,0|2,0,0]=4 13091 B13R1.12 C[C@H]1[C@@H](CCCN1C(=O)CCF)O 573b5a53710426a46f81058788fcd5c2 [0,1,0,1,0,0|2,0,0]=4 13092 B13R1.12 C[C@H]1[C@@H](CCCN1C(=O)CCO)O c28366294f1bce5b45beae0667ff358a [0,1,0,1,0,0|2,0,0]=4 13093 B13R1.12 C[C@H]1[C@@H](CCCN1C(=O)CCS)O 8aa69c5f29a9d16ae049ea92ab169cab [0,1,0,1,0,0|2,0,0]=4 13094 B13R1.15 CCC(C)CCN1CCCC(=O)C1 06a09f335ed37ee017e537e72cc8327d [0,1,0,1,0,0|2,0,0]=4 13095 B13R1.15 CCC(C)CNC1CCCC(=O)C1 76990617c18f3fe057cbba999a83f3ff [0,1,0,1,0,0|2,0,0]=4 13096 B13R1.15 CCC(C)COC1CCCC(=O)C1 e45df3da251203f1fa29e52546989f05 [0,1,0,1,0,0|2,0,0]=4 13097 B13R1.15 CCC(C)NCC1CCCC(=O)N1 00458e062d645c1e91df6745e5a5ef39 [0,1,0,1,0,0|2,0,0]=4 13098 B13R1.15 CCC(C)OCC1CCCC(=O)C1 93cdceee1f0b73e53d4a5aa578b5c9aa [0,1,0,1,0,0|2,0,0]=4 13099 B13R1.15 CCC(C)OCC1CCCC(=O)N1 1c6e8ea26efc95da9611e4cb0402c736 [0,1,0,1,0,0|2,0,0]=4 13100 B13R1.15 CCC(C)OC[C@@H]1CCCC(=O)N1 6d184003988dcc60f346634968c71e26 [0,1,0,1,0,0|2,0,0]=4 13101 B13R1.15 CCC(C)OC[C@H]1CCCC(=O)N1 34960d7d55e48078f8b01549a4281cab [0,1,0,1,0,0|2,0,0]=4 13102 B13R1.15 CCC(O)CNC1CCCC(=O)C1 7d06e5b5d4a1b05ff838f97c02e03292 [0,1,0,1,0,0|2,0,0]=4 13103 B13R1.15 CC[C@@H](C)COC1CCCC(=O)C1 b13ad11a9f5f34230f79bc75a531850d [0,1,0,1,0,0|2,0,0]=4 13104 B13R1.15 CC[C@@H](O)CNC1CCCC(=O)C1 2500cc150239a2daea32ddb99344e48d [0,1,0,1,0,0|2,0,0]=4 13105 B13R1.15 CC[C@H](C)CNC1CCCC(=O)C1 d49bcd966cefe317e41fd330018f76dc [0,1,0,1,0,0|2,0,0]=4 13106 B13R1.15 CC[C@H](C)COC1CCCC(=O)C1 54be93d18ee5c88b58b560215877ff0b [0,1,0,1,0,0|2,0,0]=4 13107 B13R1.19 CC1CCC(CC1)NC(=O)CCF 8f82bb9e03120ae605b211993f9eeadd [0,1,0,1,0,0|2,0,0]=4 13108 B13R1.19 CCCC(=O)CN1CCC(CC1)C 609c4daf17a8446afdf900be9e95a610 [0,1,0,1,0,0|2,0,0]=4 13109 B13R1.19 CCCC(=O)CN1CCC(CC1)Cl 7254b8372b3fc7cae803edd7cff74567 [0,1,0,1,0,0|2,0,0]=4 13110 B13R1.19 CCCC(=O)CN1CCC(CC1)F 327c84e30bc7ca525076bf6109937fe8 [0,1,0,1,0,0|2,0,0]=4 13111 B13R1.19 CCCC(=O)CN1CCC(CC1)I a376653c85a1ed637d0c99d40b64e4f1 [0,1,0,1,0,0|2,0,0]=4 13112 B13R1.19 CCCC(=O)CN1CCC(CC1)O 3cba4a3736fb2328d196f5ef3ff2abc6 [0,1,0,1,0,0|2,0,0]=4 13113 B13R1.19 CCCC(=O)NC1CCC(CC1)C 41ee3bc9e5b335c3ffa3cbb1ad1fd967 [0,1,0,1,0,0|1,0,0]=3 13114 B13R1.19 CCCC(=O)NC1CCC(CC1)Cl db5bd85fc552eebfc50fa232207f0335 [0,1,0,1,0,0|1,0,0]=3 13115 B13R1.19 CCCC(=O)NC1CCC(CC1)O 72a820f4fa79c8cb8bc03ce487b4c6d8 [0,1,0,1,0,0|1,0,0]=3 13116 B13R1.19 CCCC(=O)NC1CCN(CC1)C 080c1d2c0c597cb4e49e6e05bcdfdf06 [0,1,0,1,0,0|2,0,0]=4 13117 B13R1.19 CCCC(=O)N[C@H]1CC[C@@H](CC1)C 9a1e3dfdf501b3efa1e3e82de159627c [0,1,0,1,0,0|1,0,0]=3 13118 B13R1.19 CCCC(=O)N[C@H]1CC[C@@H](CC1)Cl 5f8d267917b3a9147716745f6f5f0c64 [0,1,0,1,0,0|1,0,0]=3 13119 B13R1.19 CCCC(=O)N[C@H]1CC[C@@H](CC1)O 1549e4b7a8721faca10c08dc0bcb1d74 [0,1,0,1,0,0|1,0,0]=3 13120 B13R1.19 CCCC(=O)N[C@H]1CC[C@H](CC1)C dfd5ca058ec3e0a5bdfb05be70c04265 [0,1,0,1,0,0|1,0,0]=3 13121 B13R1.19 CCCC(=O)N[C@H]1CC[C@H](CC1)Cl 015694f798bab55fcb639fe03eb5b7d2 [0,1,0,1,0,0|1,0,0]=3 13122 B13R1.19 CCCC(=O)N[C@H]1CC[C@H](CC1)O 353754747d2bd59d779ba2f976aae7a4 [0,1,0,1,0,0|1,0,0]=3 13123 B13R1.19 CCCC(=S)OC1CCC(=O)CC1 74376d0fb7e21f49c62daa2741f851d5 [0,1,0,1,0,0|0,1,1]=4 13124 B13R1.19 CCCC(=S)OC1CCC(CC1)C 2713b455a003cb2833662e04570fa363 [0,1,0,1,0,0|0,1,0]=3 13125 B13R1.19 CCCC(=S)OC1CCN(CC1)C 1bdda33c6a095421c5a2fa615ed40f2c [0,1,0,1,0,0|1,1,0]=4 13126 B13R1.19 CCCC(C)OC1CCC(CC1)C 1e71b77dae89ed26792304e92fc5d1f4 [0,1,0,1,0,0|1,0,1]=4 13127 B13R1.19 CCCC(C)OC1CCC(CC1)F 9e7c86df168c8692054ed56626351ab2 [0,1,0,1,0,0|1,0,1]=4 13128 B13R1.19 CCCC(C)O[C@H]1CC[C@@H](CC1)C b2c1bde47bd3d619b7f7eb133021dfab [0,1,0,1,0,0|1,0,1]=4 13129 B13R1.19 CCCC(C)O[C@H]1CC[C@H](CC1)C 5bfbbb6fcb1b281752a34c9353f37907 [0,1,0,1,0,0|1,0,1]=4 13130 B13R1.19 CCC[C@@H](C)OC1CCC(CC1)C 6ab8b0a146ea906a053511ff269a6b87 [0,1,0,1,0,0|1,0,1]=4 13131 B13R1.19 CCC[C@H](C)OC1CCC(CC1)C a4084b31444eed6016d416bf018f6937 [0,1,0,1,0,0|1,0,1]=4 13132 B13R1.19 COCC(=O)NC1CCC(CC1)C 66a8e308353c28c35d31036416197e55 [0,1,0,1,0,0|2,0,0]=4 13133 B13R1.19 COCC(=O)NC1CCC(CC1)Cl 9de1d6f53f89c2bfb7dc6c2b9645495a [0,1,0,1,0,0|2,0,0]=4 13134 B13R1.19 COCC(=O)NC1CCC(CC1)O 72f9d4bb53d6f35b1c29d205ec6825e3 [0,1,0,1,0,0|2,0,0]=4 13135 B13R1.19 COCC(=O)N[C@H]1CC[C@@H](CC1)C 6a977669e97d66308ad278f21254d32a [0,1,0,1,0,0|2,0,0]=4 13136 B13R1.19 COCC(=O)N[C@H]1CC[C@@H](CC1)Cl f352523cf25a4f35fd989b2265631342 [0,1,0,1,0,0|2,0,0]=4 13137 B13R1.19 COCC(=O)N[C@H]1CC[C@@H](CC1)O 02176a43e7e3392d136b2f42d8f2f8e9 [0,1,0,1,0,0|2,0,0]=4 13138 B13R1.19 COCC(=O)N[C@H]1CC[C@H](CC1)C 48adcb4fb7536dd70d14194acb74c075 [0,1,0,1,0,0|2,0,0]=4 13139 B13R1.19 COCC(=O)N[C@H]1CC[C@H](CC1)Cl 9ad6e2d4187f15e838bd4a521c742ef4 [0,1,0,1,0,0|2,0,0]=4 13140 B13R1.19 COCC(=O)N[C@H]1CC[C@H](CC1)O df99cea8d986f793fc346e69abf130bb [0,1,0,1,0,0|2,0,0]=4 13141 B13R1.19 CSCC(=O)NC1CCC(CC1)C 2da6a0e954e7c79cd7e2f26e32219190 [0,1,0,1,0,0|2,0,0]=4 13142 B13R1.19 CSCC(=O)NC1CCC(CC1)Cl 6c5f468cb90e0b87d1a69c8bb4df42ca [0,1,0,1,0,0|2,0,0]=4 13143 B13R1.19 CSCC(=O)NC1CCC(CC1)O e2fcfab04f894eba4e6d1d9e61b95540 [0,1,0,1,0,0|2,0,0]=4 13144 B13R1.19 CSCC(=O)N[C@H]1CC[C@@H](CC1)C b4a56fad9fdfcde023eaf20795f92080 [0,1,0,1,0,0|2,0,0]=4 13145 B13R1.19 CSCC(=O)N[C@H]1CC[C@@H](CC1)Cl fec6c9303aaa8ffccc786b0fd3bcad27 [0,1,0,1,0,0|2,0,0]=4 13146 B13R1.19 CSCC(=O)N[C@H]1CC[C@@H](CC1)O 297f91bfffa3e1eea9a8f76d286cc52d [0,1,0,1,0,0|2,0,0]=4 13147 B13R1.19 CSCC(=O)N[C@H]1CC[C@H](CC1)C e6a0e2cc7396994e7a07a3ac9581af7a [0,1,0,1,0,0|2,0,0]=4 13148 B13R1.19 CSCC(=O)N[C@H]1CC[C@H](CC1)Cl 8a287aed0018992f0d3887a216d7fc44 [0,1,0,1,0,0|2,0,0]=4 13149 B13R1.19 CSCC(=O)N[C@H]1CC[C@H](CC1)O 3b7e6f00fdf0265bc45900b2609a9d37 [0,1,0,1,0,0|2,0,0]=4 13150 B13R1.19 C[C@H]1CC[C@@H](CC1)NC(=O)CCF f0a80f8ab81a526490460d5b727b74e7 [0,1,0,1,0,0|2,0,0]=4 13151 B13R1.19 C[C@H]1CC[C@H](CC1)NC(=O)CCF ba20322fb0ec22bddf3dca6b157e4d27 [0,1,0,1,0,0|2,0,0]=4 13152 B13R1.19 O=C(CCF)NC1CCC(CC1)Cl 67cb4e74bfd5d4bf5fc49aa23d7fb42b [0,1,0,1,0,0|2,0,0]=4 13153 B13R1.19 O=C(CCF)NC1CCC(CC1)O a89ded0ca7b0488171f5a98aff70fc4f [0,1,0,1,0,0|2,0,0]=4 13154 B13R1.19 O=C(CCF)N[C@H]1CC[C@@H](CC1)Cl 3df834cad2fff937dd1d8269ed79932c [0,1,0,1,0,0|2,0,0]=4 13155 B13R1.19 O=C(CCF)N[C@H]1CC[C@@H](CC1)O 305d37243bfbe59907322d187617a662 [0,1,0,1,0,0|2,0,0]=4 13156 B13R1.19 O=C(CCF)N[C@H]1CC[C@H](CC1)Cl d9a320682c7908451f65e02792a29898 [0,1,0,1,0,0|2,0,0]=4 13157 B13R1.19 O=C(CCF)N[C@H]1CC[C@H](CC1)O df178d5c950b65e45aba040f1349650a [0,1,0,1,0,0|2,0,0]=4 13158 B13R1.19 O=C(CCO)NC1CCC(CC1)O 3cdbe993a6cfecab4164783c8211a184 [0,1,0,1,0,0|2,0,0]=4 13159 B13R1.19 O=C(CCO)N[C@H]1CC[C@@H](CC1)O 4d41ab2a305dea095a763ad9fc1b5c93 [0,1,0,1,0,0|2,0,0]=4 13160 B13R1.19 O=C(CCO)N[C@H]1CC[C@H](CC1)O b888b239cb3a8a72b15c4a0de22a9727 [0,1,0,1,0,0|2,0,0]=4 13161 B13R1.19 O=C(CCS)NC1CCC(CC1)Cl 4ae982c029518206b3e9e340d5919f08 [0,1,0,1,0,0|2,0,0]=4 13162 B13R1.19 O=C(CCS)NC1CCC(CC1)O da42c44efb99b4ea06a0de399001b6e4 [0,1,0,1,0,0|2,0,0]=4 13163 B13R1.19 O=C(CCS)N[C@H]1CC[C@@H](CC1)Cl 37188683dceb10f511aa86e6338298e9 [0,1,0,1,0,0|2,0,0]=4 13164 B13R1.19 O=C(CCS)N[C@H]1CC[C@@H](CC1)O 0e02d60802243998039d81e695bf7f2e [0,1,0,1,0,0|2,0,0]=4 13165 B13R1.19 O=C(CCS)N[C@H]1CC[C@H](CC1)Cl faf6186827cc05a0dd69193b4e618514 [0,1,0,1,0,0|2,0,0]=4 13166 B13R1.19 O=C(CCS)N[C@H]1CC[C@H](CC1)O 8a69249fbbbf69dbc550fe688c7f1f69 [0,1,0,1,0,0|2,0,0]=4 13167 B13R1.107 CCC(C)N1CCNC(=O)C1CC 5a626a2b8c5a633b4d6f68128c5ff6c9 [0,1,0,1,0,0|2,0,0]=4 13168 B13R1.468 CCCC(=O)N1CCCC1(C)CO 05beda58ad025795255ba3177b43a3e1 [0,1,0,1,0,0|2,0,0]=4 13169 B13R1.536 CCC(C)CCCOC1CCCC1 264fe2c13fa05676b15d18c6c3256e19 [0,1,0,1,0,0|1,0,1]=4 13170 B13R1.536 CC[C@H](C)CCCOC1CCCC1 ff389698f872ef76223991baa5bc3683 [0,1,0,1,0,0|1,0,1]=4 13171 B13R1.596 C=C(CC)COC1OC(=O)CC1C 0bb3a08a2269efd978aab4f7ccb4af43 [0,1,0,1,0,0|1,0,1]=4 13172 B13R1.596 CC1CC(=O)OC1OCC(O)CO 46e070024ae1559e0e03bf4948012ed2 [0,1,0,1,0,0|2,0,0]=4 13173 B13R1.596 CC1CC(=O)OC1OC[C@@H](O)CO f55394cd2073add3ed80df23445c06af [0,1,0,1,0,0|2,0,0]=4 13174 B13R1.596 CC1CC(=O)OC1OC[C@H](O)CO e029241aa99f43956ea193e7048e9e36 [0,1,0,1,0,0|2,0,0]=4 13175 B13R1.596 CCC(=O)COC1OC(=O)CC1C 467a06796a19fa5e1e7358205f53d4ca [0,1,0,1,0,0|1,0,1]=4 13176 B13R1.596 CCC(C)COC1OC(=O)CC1C 6cdee82d0f46eb738b11f2164c97bee0 [0,1,0,1,0,0|1,0,0]=3 13177 B13R1.596 CC[C@@H](C)COC1OC(=O)CC1C d93f8b72237eca4eab3e21318c1fa474 [0,1,0,1,0,0|1,0,0]=3 13178 B13R1.596 CC[C@H](C)COC1OC(=O)CC1C de0f47833aeb4a5b3567bf006aaeba1a [0,1,0,1,0,0|1,0,0]=3 13179 B13R1.596 COC(C)COC1OC(=O)CC1C 6e6fa802a11e9c11bfc33549247abfb2 [0,1,0,1,0,0|2,0,0]=4 13180 B13R1.596 CO[C@@H](C)COC1OC(=O)CC1C 1d9b5ecb14f2f0b5f3e11051da9dad48 [0,1,0,1,0,0|2,0,0]=4 13181 B13R1.596 CO[C@H](C)COC1OC(=O)CC1C e7f66f73e5c793ffd3629fe2ec6f3c20 [0,1,0,1,0,0|2,0,0]=4 13182 B13R1.599 CCC(C)CCNC1CCCC1=O d97d13f87431886c7204153f12b10966 [0,1,0,1,0,0|2,0,0]=4 13183 B13R1.599 CCC(C)CCOC1CCCC1=O 53f9ee50e502612d99cec4a8e9703426 [0,1,0,1,0,0|2,0,0]=4 13184 B13R1.599 CCC(C)CNCN1CCCC1=O 59a4d87600d7cdc6230486897cca34c4 [0,1,0,1,0,0|2,0,0]=4 13185 B13R1.599 CCC(C)COCC1CCCC1=O cd7685ad9ca1c5c1e35e6c179e0216f1 [0,1,0,1,0,0|2,0,0]=4 13186 B13R1.599 CCC(C)COCN1CCCC1=O 53c6822c00f5a03b117d5b171869dbb8 [0,1,0,1,0,0|2,0,0]=4 13187 B13R1.599 CCC(C)NCCN1CCCC1=O 33c5b5008e631df3e64e9826ee48ebae [0,1,0,1,0,0|2,0,0]=4 13188 B13R1.599 CCC(C)OCCN1CCCC1=O 4d95460880b8db12452f17ce113bce6e [0,1,0,1,0,0|2,0,0]=4 13189 B13R1.599 CCC(O)CNCN1CCCC1=O f18580d12913f84d2932b155b6268f35 [0,1,0,1,0,0|2,0,0]=4 13190 B13R1.599 CCC(S)CCOC1CCCC1=O 3129ef5eea515276d5ccc7c7d2f32da3 [0,1,0,1,0,0|2,0,0]=4 13191 B13R1.599 CCN(C)CCCN1CCCC1=O 014b8b86ea0b57c46d4c267d4a92e56e [0,1,0,1,0,0|2,0,0]=4 13192 B13R1.599 CC[C@@H](C)COCC1CCCC1=O 595c905c446eeb31d178dbe41c6ab7c0 [0,1,0,1,0,0|2,0,0]=4 13193 B13R1.599 CC[C@@H](C)COCN1CCCC1=O b7d4d23b1b1269ff683ca056e1f0c661 [0,1,0,1,0,0|2,0,0]=4 13194 B13R1.599 CC[C@@H](C)NCCN1CCCC1=O 2c236a0f55e949be6148fe005dd4d9d2 [0,1,0,1,0,0|2,0,0]=4 13195 B13R1.599 CC[C@@H](C)OCCN1CCCC1=O 591ca67ffb7f470bdb999a631aba488b [0,1,0,1,0,0|2,0,0]=4 13196 B13R1.599 CC[C@@H](O)CNCN1CCCC1=O 92bdd544458a1ac92472da079c12f226 [0,1,0,1,0,0|2,0,0]=4 13197 B13R1.599 CC[C@H](C)CCOC1CCCC1=O 9afe166aef69de99aac3e6418020578d [0,1,0,1,0,0|2,0,0]=4 13198 B13R1.599 CC[C@H](C)CNCN1CCCC1=O 04681d0e22755e5592eff3c33f80af5c [0,1,0,1,0,0|2,0,0]=4 13199 B13R1.599 CC[C@H](C)COCC1CCCC1=O 931ff22db67bd504dc89a771aebb268e [0,1,0,1,0,0|2,0,0]=4 13200 B13R1.599 CC[C@H](C)COCN1CCCC1=O e088455591794f9434fe8b6acfb7a013 [0,1,0,1,0,0|2,0,0]=4 13201 B13R1.599 CC[C@H](C)NCCN1CCCC1=O 8b042fa8e8930ca304dce52a8548c56b [0,1,0,1,0,0|2,0,0]=4 13202 B13R1.599 CC[C@H](C)OCCN1CCCC1=O 1964dde8189b3cd0d8fbf47c4e8ca44f [0,1,0,1,0,0|2,0,0]=4 13203 B13R1.1463 CC1CCCN(CC1)C(=O)CCF b6928381db4473d14c25b6c1fff8dd9b [0,1,0,1,0,0|2,0,0]=4 13204 B13R1.1463 CC1CCCN(CC1)C(=O)CCO 86f7b2ff698044746b5f3830390a98ef [0,1,0,1,0,0|2,0,0]=4 13205 B13R1.1463 CC1CCCN(CC1)C(=O)CCS 47ef04029f957206988f760dd1b914c9 [0,1,0,1,0,0|2,0,0]=4 13206 B13R1.1463 CCCC(=O)N1CCCC(=O)CC1 0f1fedfb7e9735b697379c9f7cf2e6e0 [0,1,0,1,0,0|1,0,1]=4 13207 B13R1.1463 CCCC(=O)N1CCCC(CC1)C 1d75ac9a1f74046fc4fdca3c81e96839 [0,1,0,1,0,0|1,0,0]=3 13208 B13R1.1463 CCCC(=O)N1CCCC(CC1)F 4df0113ee5af506a3778e55f5d23c40a [0,1,0,1,0,0|1,0,0]=3 13209 B13R1.1463 CCCC(=O)N1CCCC(CC1)O 3d6ce9e0cc1b289212e05047e5c3c2e6 [0,1,0,1,0,0|1,0,0]=3 13210 B13R1.1463 CCCC(=O)N1CCCN(CC1)C 1f23bb61d32e3f8995b39057d12469cd [0,1,0,1,0,0|2,0,0]=4 13211 B13R1.1463 CCCC(=O)N1CCC[C@@H](CC1)O 8dd6e0eba5d6c3d9bbd8846425bf7642 [0,1,0,1,0,0|1,0,0]=3 13212 B13R1.1463 CCCC(=O)N1CCC[C@H](CC1)O 072edb7856c396a9bb601dba9c69cb93 [0,1,0,1,0,0|1,0,0]=3 13213 B13R1.1463 COCC(=O)N1CCCC(CC1)C e58ac19e6c26a9c992194b396597aed8 [0,1,0,1,0,0|2,0,0]=4 13214 B13R1.1463 COCC(=O)N1CCCC(CC1)F 4e75a39aef6fdb1441cef7bad292b20b [0,1,0,1,0,0|2,0,0]=4 13215 B13R1.1463 COCC(=O)N1CCCC(CC1)O dc30ea81db1731d63777d7150334951e [0,1,0,1,0,0|2,0,0]=4 13216 B13R1.1463 COCC(=O)N1CCC[C@@H](CC1)O b92d75234960cfd5eb24f35ac55ddb24 [0,1,0,1,0,0|2,0,0]=4 13217 B13R1.1463 COCC(=O)N1CCC[C@H](CC1)O 83416061050dd4f456086de0a0056407 [0,1,0,1,0,0|2,0,0]=4 13218 B13R1.1463 CSCC(=O)N1CCCC(CC1)C f17d65f6320d7bc9391579c8cbfe7377 [0,1,0,1,0,0|2,0,0]=4 13219 B13R1.1463 CSCC(=O)N1CCCC(CC1)F 610f9a73e639fb3533ca5309db85642b [0,1,0,1,0,0|2,0,0]=4 13220 B13R1.1463 CSCC(=O)N1CCCC(CC1)O 124a97adccd0992dc0ac5910c7e76627 [0,1,0,1,0,0|2,0,0]=4 13221 B13R1.1463 CSCC(=O)N1CCC[C@@H](CC1)O 7629161aeefc8c74163586a83924273d [0,1,0,1,0,0|2,0,0]=4 13222 B13R1.1463 CSCC(=O)N1CCC[C@H](CC1)O 2a4c7f15fcf5321bd708bfeacb599fbf [0,1,0,1,0,0|2,0,0]=4 13223 B13R1.1463 O=C(CCF)N1CCCC(CC1)F ba5bfd90312958b83f790943dff6fe5d [0,1,0,1,0,0|2,0,0]=4 13224 B13R1.1463 O=C(CCF)N1CCCC(CC1)O 5a546f014eddbc56b2adf42a60902aab [0,1,0,1,0,0|2,0,0]=4 13225 B13R1.1463 O=C(CCF)N1CCC[C@@H](CC1)O b404af4afee20443e2cd346f280cefe6 [0,1,0,1,0,0|2,0,0]=4 13226 B13R1.1463 O=C(CCF)N1CCC[C@H](CC1)O dd8c40ffa3d21bf20c1345dc0ac0925e [0,1,0,1,0,0|2,0,0]=4 13227 B13R1.1463 O=C(CCO)N1CCCC(CC1)F 40d10f81f40c8db21370fe570c1dc36a [0,1,0,1,0,0|2,0,0]=4 13228 B13R1.1463 O=C(CCO)N1CCCC(CC1)O 59802b16e4821da1f3d7cb1ae5507773 [0,1,0,1,0,0|2,0,0]=4 13229 B13R1.1463 O=C(CCO)N1CCC[C@@H](CC1)O 1a8794774abe9915251c4fae55919e3f [0,1,0,1,0,0|2,0,0]=4 13230 B13R1.1463 O=C(CCO)N1CCC[C@H](CC1)O f5f3a7894be95371bd61ea52d72a37e2 [0,1,0,1,0,0|2,0,0]=4 13231 B13R1.1463 O=C(CCS)N1CCCC(CC1)F 50b28b736111afb6247f7c52c1c84fb1 [0,1,0,1,0,0|2,0,0]=4 13232 B13R1.1463 O=C(CCS)N1CCCC(CC1)O 7bc02f10a96daecabda0169da94da692 [0,1,0,1,0,0|2,0,0]=4 13233 B13R1.1463 O=C(CCS)N1CCC[C@@H](CC1)O 390221a5a724913a4545f5785e99113e [0,1,0,1,0,0|2,0,0]=4 13234 B13R1.1463 O=C(CCS)N1CCC[C@H](CC1)O 84be5eeedcb2dd78f61f2c266b6c7484 [0,1,0,1,0,0|2,0,0]=4 13235 B13R1.1478 CCCC(=O)CN1CCC(C1C)O 8ad26353c5ea60cedfc645beb2791aa3 [0,1,0,1,0,0|2,0,0]=4 13236 B13R1.1478 CCCC(=O)CN1CC[C@@H]([C@@H]1C)O d17232d3414d098ab6bbbc4f5be6a5a8 [0,1,0,1,0,0|2,0,0]=4 13237 B13R1.1478 CCCC(=O)CN1CC[C@H]([C@H]1C)O 22791ff44aff0c28e3644178d0634f74 [0,1,0,1,0,0|2,0,0]=4 13238 B13R1.1493 CCCC(=O)CNCCC1(CC1)O d04f5d99d1e228691f87df58a0fcf472 [0,1,0,1,0,0|2,0,0]=4 13239 B13R1.1493 CCCC(=O)COCCC1(CC1)C 198e960504bc41ba4658321d64441974 [0,1,0,1,0,0|2,0,0]=4 13240 B13R1.1493 CCCC(=O)OCNCC1(CC1)F 3eeb5e5fb0ad2371bfa7f6b9d133d630 [0,1,0,1,0,0|1,0,0]=3 13241 B13R1.1493 CCCC(=O)OCOCC1(CC1)Br dda0c31abb995b82d0f66c921455dfe9 [0,1,0,1,0,0|1,0,0]=3 13242 B13R1.1493 CCCC(=O)OCOCC1(CC1)C 80efc100b61f77f52cf4bb6f3ca983e6 [0,1,0,1,0,0|1,0,0]=3 13243 B13R1.1493 CCCC(=O)OCOCC1(CC1)Cl d7df7bffe8783deac97fb922ce877e42 [0,1,0,1,0,0|1,0,0]=3 13244 B13R1.1493 CCCC(=O)OCOCC1(CC1)F adb900f3eb8a1216976141f8ad48911f [0,1,0,1,0,0|1,0,0]=3 13245 B13R1.1493 CCOC(=O)OCNCC1(CC1)F 473cb83b904c0893f156c9530a66dc6e [0,1,0,1,0,0|2,0,0]=4 13246 B13R1.1493 CCOC(=O)OCNCC1(CC1)O 22fbfe9f120ff8943e398104398bea5b [0,1,0,1,0,0|2,0,0]=4 13247 B13R1.1493 CCOC(=O)OCOCC1(CC1)Br 8c04f25c0379bbe93898df9d50fac640 [0,1,0,1,0,0|2,0,0]=4 13248 B13R1.1493 CCOC(=O)OCOCC1(CC1)C f43b59732379dd89d59647c303cf86b9 [0,1,0,1,0,0|2,0,0]=4 13249 B13R1.1493 CCOC(=O)OCOCC1(CC1)Cl 6944693d43213497911849221e56fcd4 [0,1,0,1,0,0|2,0,0]=4 13250 B13R1.1493 CCOC(=O)OCOCC1(CC1)F afd064ebb5503a2bd953b903edb7f315 [0,1,0,1,0,0|2,0,0]=4 13251 B13R1.1493 CCSC(=O)OCNCC1(CC1)F ed749f293982940702f3f762ebe8abd9 [0,1,0,1,0,0|2,0,0]=4 13252 B13R1.1493 CCSC(=O)OCNCC1(CC1)O 744b9f9dc2721e556aa26689978b2f35 [0,1,0,1,0,0|2,0,0]=4 13253 B13R1.1493 CCSC(=O)OCOCC1(CC1)Br d601f5ee14ea9c03f4d7cf9cf6e869ea [0,1,0,1,0,0|2,0,0]=4 13254 B13R1.1493 CCSC(=O)OCOCC1(CC1)C a0662dd6f7b57b066256ceef51f026da [0,1,0,1,0,0|2,0,0]=4 13255 B13R1.1493 CCSC(=O)OCOCC1(CC1)Cl 5b1f22da66eefd273d4c6919b7d24693 [0,1,0,1,0,0|2,0,0]=4 13256 B13R1.1493 CCSC(=O)OCOCC1(CC1)F 5d5840864ec7cf634a5fb859215a95a3 [0,1,0,1,0,0|2,0,0]=4 13257 B13R1.1734 CC(CO)CNCOC(=O)C1CC1 8cce77afc566f472a48fbd2e2f58c62a [0,1,0,1,0,0|2,0,0]=4 13258 B13R1.1734 CCC(=O)COCOC(=O)C1CC1 cc17a5cdfcadcbab401480c5f2e98dac [0,1,0,1,0,0|1,0,1]=4 13259 B13R1.1734 CCC(C)CCCOC(C)C1CC1 086a4f0720886e308a2abd9ad341e0bd [0,1,0,1,0,0|1,0,1]=4 13260 B13R1.1734 CCC(C)CCNCC(=O)C1CC1 92682ddbf1c9266ddeddeea535675f74 [0,1,0,1,0,0|2,0,0]=4 13261 B13R1.1734 CCC(C)CCOCC(=O)C1CC1 5ecebea25b515c3f6d7d0bb4fe3ff8e0 [0,1,0,1,0,0|2,0,0]=4 13262 B13R1.1734 CCC(C)CNCOC(=O)C1CC1 a88715b293e48d5ac5dc2efebd6f8c7a [0,1,0,1,0,0|1,0,0]=3 13263 B13R1.1734 CCC(C)COCOC(=O)C1CC1 f4d6639e7b1b967bea1873df5ec225be [0,1,0,1,0,0|1,0,0]=3 13264 B13R1.1734 CCC(O)CNCOC(=O)C1CC1 16da9e49b69c39489fd27e73252250c1 [0,1,0,1,0,0|1,0,0]=3 13265 B13R1.1734 CCC(S)CCOCC(=O)C1CC1 b7af1d6b44af07919fba656fd6f25397 [0,1,0,1,0,0|2,0,0]=4 13266 B13R1.1734 CC[C@@H](C)COCOC(=O)C1CC1 1ca55ab5c31cbb10ffa7b85760fa4496 [0,1,0,1,0,0|1,0,0]=3 13267 B13R1.1734 CC[C@@H](O)CNCOC(=O)C1CC1 34c42d8e57eb67081537f4a0c04ca4d7 [0,1,0,1,0,0|1,0,0]=3 13268 B13R1.1734 CC[C@H](C)CCCOC(C)C1CC1 35d7eb7ada6175319d3effa4ca5ae38d [0,1,0,1,0,0|1,0,1]=4 13269 B13R1.1734 CC[C@H](C)CCOCC(=O)C1CC1 526db556479fd97a5c88a7139a2200b4 [0,1,0,1,0,0|2,0,0]=4 13270 B13R1.1734 CC[C@H](C)CNCOC(=O)C1CC1 28f1659379d495fa9dbe52331654e503 [0,1,0,1,0,0|1,0,0]=3 13271 B13R1.1734 CC[C@H](C)COCOC(=O)C1CC1 e3cf9cd5f7d6aa0bc7c35d5da0ca6548 [0,1,0,1,0,0|1,0,0]=3 13272 B13R1.1734 COC(C)COCOC(=O)C1CC1 31ca8fe45018fce29bd32ac98e7b93ad [0,1,0,1,0,0|2,0,0]=4 13273 B13R1.1734 CO[C@@H](C)CNCOC(=O)C1CC1 8139ea843242a221f9cc6f8a5d6e721e [0,1,0,1,0,0|2,0,0]=4 13274 B13R1.1734 CO[C@@H](C)COCOC(=O)C1CC1 38806576b5615d374367e70199d2375e [0,1,0,1,0,0|2,0,0]=4 13275 B13R1.1734 CO[C@H](C)CNCOC(=O)C1CC1 3f4d1df69962bba3963a0b23a6438456 [0,1,0,1,0,0|2,0,0]=4 13276 B13R1.1734 CO[C@H](C)COCOC(=O)C1CC1 466cee8fca91cb1527eae8523fb0356a [0,1,0,1,0,0|2,0,0]=4 13277 B13R1.1734 C[C@H](CO)CNCOC(=O)C1CC1 58e5158b12be392fcb27798fbd3008b5 [0,1,0,1,0,0|2,0,0]=4 13278 B13R1.1734 O=C(OCNCC(Br)CBr)C1CC1 e691dc8dfbef0b87e69618b0dbb03fd1 [0,1,0,1,0,0|2,0,0]=4 13279 B13R1.1734 O=C(OCNCC(F)CO)C1CC1 92c700a50a6b08b938bdb3b9fab37da8 [0,1,0,1,0,0|2,0,0]=4 13280 B13R1.1734 O=C(OCNCC(O)CO)C1CC1 df401e2bb2f1ed68e3a798fcd2259b24 [0,1,0,1,0,0|2,0,0]=4 13281 B13R1.1734 O=C(OCNC[C@@H](F)CO)C1CC1 108f4c1820df303278b0b38cb7584761 [0,1,0,1,0,0|2,0,0]=4 13282 B13R1.1734 O=C(OCNC[C@@H](O)CO)C1CC1 62899ddce8d225947f58208ab1cd9305 [0,1,0,1,0,0|2,0,0]=4 13283 B13R1.1734 O=C(OCNC[C@H](F)CO)C1CC1 53e83b9bd1740c9a785f4b8a105a37ae [0,1,0,1,0,0|2,0,0]=4 13284 B13R1.1734 O=C(OCNC[C@H](O)CO)C1CC1 be41467937664b9b06538d97d0fb63d5 [0,1,0,1,0,0|2,0,0]=4 13285 B13R1.1734 O=C(OCOCC(Cl)CCl)C1CC1 884610237abc5be0fa7ea92eae8f6c92 [0,1,0,1,0,0|2,0,0]=4 13286 B13R1.1734 O=C(OCOCC(S)CS)C1CC1 884dea19221e38368e106daad8ad9db1 [0,1,0,1,0,0|2,0,0]=4 13287 B13R1.1869 CCC(C)CN1CCCC(=O)CC1 df2d823d02dd092d7e69bc1bc1ca28dd [0,1,0,1,0,0|2,0,0]=4 13288 B13R1.1869 CCC(C)OC1CCCC(=O)NC1 88540d087013240a4cb920c8dd9b528b [0,1,0,1,0,0|2,0,0]=4 13289 B13R1.1869 CCC(O)CN1CCCC(=O)CC1 1b50d4b2443110fca8fda98c2f108d10 [0,1,0,1,0,0|2,0,0]=4 13290 B13R1.1869 CC[C@@H](C)CN1CCCC(=O)CC1 aae873c8e987522dc92f88b0302d9525 [0,1,0,1,0,0|2,0,0]=4 13291 B13R1.1869 CC[C@H](C)CN1CCCC(=O)CC1 1f21d48ae7cfa380eba6ae9f2d11748d [0,1,0,1,0,0|2,0,0]=4 13292 B13R1.2679 CCC(C)OC1CCC(=O)CC1C 575bffa75b4aaef2ac409d30eb309aab [0,1,0,1,0,0|2,0,0]=4 13293 B13R1.4647 CCC(C)N1CCNC(=O)CC1C d7528b0936bcf0bcf27c4e470b90d868 [0,1,0,1,0,0|2,0,0]=4 13294 B13R1.115 CCC1C(=O)NCCN1CC(C)C 7a5d79a94e08ebc86f0d20b29dfcae32 [0,1,0,1,0,0|2,0,0]=4 13295 B13R1.115 CCC1C(=O)NCCN1CC(C)O e6ef32a2b2297116d47911c21c8ae6f4 [0,1,0,1,0,0|2,0,0]=4 13296 B13R1.115 CCC1C(=O)NCCN1C[C@@H](C)O b55659af7e1b2bb298e2acf82850dec9 [0,1,0,1,0,0|2,0,0]=4 13297 B13R1.115 CCC1C(=O)NCCN1C[C@H](C)O 15f6eb8e22df058159195faa59b8ac6c [0,1,0,1,0,0|2,0,0]=4 13298 B13R1.149 CC(C)CCCN1CCCC(=O)C1 329d1ebe70386a7c75b4731c1adc3730 [0,1,0,1,0,0|2,0,0]=4 13299 B13R1.149 CC(C)CCOC1CCCC(=O)C1 a1bc6bdbba605e02d6de823c4f4ba777 [0,1,0,1,0,0|2,0,0]=4 13300 B13R1.149 CC(C)CNCC1CCCC(=O)N1 0cb72121886f84de7119a06f48d893c3 [0,1,0,1,0,0|2,0,0]=4 13301 B13R1.149 CC(C)COCC1CCCC(=O)C1 89b52eb7be00add01c53bd813b20c7dd [0,1,0,1,0,0|2,0,0]=4 13302 B13R1.149 CC(C)COCC1CCCC(=O)N1 4fd2ea5539ac90083f942dccfce190bc [0,1,0,1,0,0|2,0,0]=4 13303 B13R1.149 CC(C)COC[C@@H]1CCCC(=O)N1 837a7b72f879d4547fd5548bf1c5ae4c [0,1,0,1,0,0|2,0,0]=4 13304 B13R1.149 CC(C)COC[C@H]1CCCC(=O)N1 6dc2d47952d4a70a5f29921df6efa675 [0,1,0,1,0,0|2,0,0]=4 13305 B13R1.149 CC(O)CCCN1CCCC(=O)C1 9de23a43ec232bee064a35c601f7ec83 [0,1,0,1,0,0|2,0,0]=4 13306 B13R1.149 CC(O)CCNC1CCCC(=O)C1 67b24784a28d693db3a216436cf1b6ac [0,1,0,1,0,0|2,0,0]=4 13307 B13R1.149 CC(O)CNCC1CCCC(=O)N1 b18a28ea6b60946f880646018209d2b0 [0,1,0,1,0,0|2,0,0]=4 13308 B13R1.149 C[C@@H](O)CCNC1CCCC(=O)C1 ec51928178e2d4f769d6f0d631258ee3 [0,1,0,1,0,0|2,0,0]=4 13309 B13R1.149 C[C@@H](O)CNCC1CCCC(=O)N1 cbc109400c633e64777c1514a9c7219a [0,1,0,1,0,0|2,0,0]=4 13310 B13R1.149 C[C@H](O)CCNC1CCCC(=O)C1 35b661d9e263f12892e78eaec4b2ada7 [0,1,0,1,0,0|2,0,0]=4 13311 B13R1.149 C[C@H](O)CNCC1CCCC(=O)N1 a6800d6256e80ec7d0bca5b5ea49cb85 [0,1,0,1,0,0|2,0,0]=4 13312 B13R1.164 CC(C)COC1CCC(=O)CC1C 2093f048cd4983ab6abbbc2d76788475 [0,1,0,1,0,0|2,0,0]=4 13313 B13R1.167 CC(C)CCCOC1CCCC1=O 353ffbbe10cbd7886518b5ca57b45a18 [0,1,0,1,0,0|2,0,0]=4 13314 B13R1.167 CC(C)CCNCN1CCCC1=O 9ed035ef2ed687dc170e47e00a4aa874 [0,1,0,1,0,0|2,0,0]=4 13315 B13R1.167 CC(C)CCOCC1CCCC1=O 66baed753be4dff89f038f84272a224e [0,1,0,1,0,0|2,0,0]=4 13316 B13R1.167 CC(C)CCOCN1CCCC1=O 3c2dc8bac2ee6a8b31dba2855870068e [0,1,0,1,0,0|2,0,0]=4 13317 B13R1.167 CC(C)CNCCN1CCCC1=O f49945b967324ade2465964230c72e71 [0,1,0,1,0,0|2,0,0]=4 13318 B13R1.167 CC(C)COCCN1CCCC1=O 8719e1d0ffdf9fe903bb9941680d5dc5 [0,1,0,1,0,0|2,0,0]=4 13319 B13R1.167 CC(C)NCCCN1CCCC1=O d01c33a39a2c916e34a6380375552332 [0,1,0,1,0,0|2,0,0]=4 13320 B13R1.167 CC(C)OCCCN1CCCC1=O 10cbc989d4a63dacde0b91e1bc513856 [0,1,0,1,0,0|2,0,0]=4 13321 B13R1.167 CC(F)COCCN1CCCC1=O 94807ff7bd7d94fa682e96d85e911be9 [0,1,0,1,0,0|2,0,0]=4 13322 B13R1.167 CC(O)CCNCN1CCCC1=O 574dbc927e7339b3d697f19cae88c042 [0,1,0,1,0,0|2,0,0]=4 13323 B13R1.167 CC(O)CNCCN1CCCC1=O b2beb77b10af76f137ac1d3b0654399e [0,1,0,1,0,0|2,0,0]=4 13324 B13R1.167 CC(S)COCCN1CCCC1=O 5f376ce348a95cd73ecacb50f897c34f [0,1,0,1,0,0|2,0,0]=4 13325 B13R1.167 C[C@@H](F)COCCN1CCCC1=O 96405f856ac2b8ca61d85851fc3215ca [0,1,0,1,0,0|2,0,0]=4 13326 B13R1.167 C[C@@H](O)CCNCN1CCCC1=O f2d6a7264420c63214eb4afb549ab014 [0,1,0,1,0,0|2,0,0]=4 13327 B13R1.167 C[C@@H](O)CNCCN1CCCC1=O f0323d74ff3eca04ef1683dc1442ce77 [0,1,0,1,0,0|2,0,0]=4 13328 B13R1.167 C[C@H](F)COCCN1CCCC1=O eb472e8a375de7c09620cce1a64b5638 [0,1,0,1,0,0|2,0,0]=4 13329 B13R1.167 C[C@H](O)CCNCN1CCCC1=O 9b2da11099636069f1673fdd74cfc8ba [0,1,0,1,0,0|2,0,0]=4 13330 B13R1.167 C[C@H](O)CNCCN1CCCC1=O 7bf9476801bbc3c95057c4d6477aca38 [0,1,0,1,0,0|2,0,0]=4 13331 B13R1.292 CC(C)CCCCOC1CC(C1)C 407d23813033b2b7527b7d41f7e0c6fc [0,1,0,1,0,0|1,0,1]=4 13332 B13R1.343 CC(C)CCCCOC1CCCC1 ffac4c16d7b30d92cc4354860caf80a5 [0,1,0,1,0,0|1,0,1]=4 13333 B13R1.343 CC(C)CCCCOC1CCCO1 3180dbd579ff467b8a6cac68a49aaf19 [0,1,0,1,0,0|0,0,2]=4 13334 B13R1.462 CCCC(=O)CNCC1CC(C1)O b6962ecf73ae65de43ed18b79956de4e [0,1,0,1,0,0|2,0,0]=4 13335 B13R1.462 CCCC(=O)CNC[C@H]1C[C@@H](C1)O 96ae54aa75363dcddbd754f1027d5a78 [0,1,0,1,0,0|2,0,0]=4 13336 B13R1.462 CCCC(=O)CNC[C@H]1C[C@H](C1)O 01c465500a51dacb71775b1df453b10a [0,1,0,1,0,0|2,0,0]=4 13337 B13R1.462 CCCC(=O)COCC1CC(C1)C 7ab8e0b016ce0e93ba01d9990f9bb193 [0,1,0,1,0,0|2,0,0]=4 13338 B13R1.462 CCCC(=O)COCC1CC(C1)F 6fcb2cfe88adc73e02259d4c84f85394 [0,1,0,1,0,0|2,0,0]=4 13339 B13R1.462 CCCC(=O)COC[C@H]1C[C@@H](C1)C d43cdb4f965bc644090252eec96ec956 [0,1,0,1,0,0|2,0,0]=4 13340 B13R1.462 CCCC(=O)NCCC1CN(C1)C 1e2240cff1a4788331027bc5a7dd0f6a [0,1,0,1,0,0|2,0,0]=4 13341 B13R1.462 CCCC(=O)NCCN1CC(C1)F 0d5cb6b0f01dd5f9c4cbb8fdcc6f61b3 [0,1,0,1,0,0|2,0,0]=4 13342 B13R1.462 CCCC(=O)NCCN1CC(C1)O 02c14f9df67e7b66b36f6db2248da111 [0,1,0,1,0,0|2,0,0]=4 13343 B13R1.462 CCCC(=O)OCNC1CC(C1)F d6f107d3b6ce5d4a892677db30043f04 [0,1,0,1,0,0|1,0,0]=3 13344 B13R1.462 CCCC(=O)OCNC1CC(C1)O 2fee3b6f5809f1829466d2e02b62d9c9 [0,1,0,1,0,0|1,0,0]=3 13345 B13R1.462 CCCC(=O)OCNC1CN(C1)C 3a5041ce3448a90a97b21bc22e59745f [0,1,0,1,0,0|2,0,0]=4 13346 B13R1.462 CCCC(=O)OCN[C@H]1C[C@@H](C1)F fd9fa5c76817c8e5531beb249138d381 [0,1,0,1,0,0|1,0,0]=3 13347 B13R1.462 CCCC(=O)OCN[C@H]1C[C@@H](C1)O 2f77b84b268d78b64d110ce9f5c2fe21 [0,1,0,1,0,0|1,0,0]=3 13348 B13R1.462 CCCC(=O)OCN[C@H]1C[C@H](C1)F df7ac15e845e2aa26c07811c4b9a2ef2 [0,1,0,1,0,0|1,0,0]=3 13349 B13R1.462 CCCC(=O)OCN[C@H]1C[C@H](C1)O 1b5ef406c227cd684fd08137d2f1051b [0,1,0,1,0,0|1,0,0]=3 13350 B13R1.462 CCCC(=O)OCOC1CC(=O)C1 1705810868872f732e93c1f5e431994c [0,1,0,1,0,0|1,0,1]=4 13351 B13R1.462 CCCC(=O)OCOC1CC(C1)C 0ff89de44b5bb0cbd279b561d2c67242 [0,1,0,1,0,0|1,0,0]=3 13352 B13R1.462 CCCC(=O)OCOC1CC(C1)F 6d639788f88cf90609b6821b7795a366 [0,1,0,1,0,0|1,0,0]=3 13353 B13R1.462 CCCC(=O)OCOC1CN(C1)C 47eff2d75be39ac942ad685d89b55a79 [0,1,0,1,0,0|2,0,0]=4 13354 B13R1.462 CCCC(=O)OCO[C@H]1C[C@@H](C1)F 97396a724569e237e8e10a1e1423353d [0,1,0,1,0,0|1,0,0]=3 13355 B13R1.462 CCCC(=O)OCO[C@H]1C[C@H](C1)F 85c7df5032606d4edd805540c007b094 [0,1,0,1,0,0|1,0,0]=3 13356 B13R1.462 CCOC(=O)OCNC1CC(C1)F 4560f3754a3e34d9a692ca46a2d588b2 [0,1,0,1,0,0|2,0,0]=4 13357 B13R1.462 CCOC(=O)OCNC1CC(C1)O 66b74b2b772e87c49cdfab116d6f27e5 [0,1,0,1,0,0|2,0,0]=4 13358 B13R1.462 CCOC(=O)OCN[C@H]1C[C@@H](C1)F 90803f4c219558994657fadafee30c30 [0,1,0,1,0,0|2,0,0]=4 13359 B13R1.462 CCOC(=O)OCN[C@H]1C[C@@H](C1)O 5687b8ee178fb17fcc4652063f0bc9ca [0,1,0,1,0,0|2,0,0]=4 13360 B13R1.462 CCOC(=O)OCN[C@H]1C[C@H](C1)F a4793ef4c55da37822481ea54cf19b84 [0,1,0,1,0,0|2,0,0]=4 13361 B13R1.462 CCOC(=O)OCN[C@H]1C[C@H](C1)O d7354abc9983a93f8680289967e82942 [0,1,0,1,0,0|2,0,0]=4 13362 B13R1.462 CCOC(=O)OCOC1CC(C1)C 5035ec5d29e413cdbc7ad7d144bf5261 [0,1,0,1,0,0|2,0,0]=4 13363 B13R1.462 CCOC(=O)OCOC1CC(C1)F 1b529d080ef40de58e8207532e7586e3 [0,1,0,1,0,0|2,0,0]=4 13364 B13R1.462 CCOC(=O)OCO[C@H]1C[C@@H](C1)F 34ab50baa4b3a8c93e2f4af80822e39b [0,1,0,1,0,0|2,0,0]=4 13365 B13R1.462 CCOC(=O)OCO[C@H]1C[C@H](C1)F cd965185bb239318dd3c3217d8b9e224 [0,1,0,1,0,0|2,0,0]=4 13366 B13R1.462 CCSC(=O)OCNC1CC(C1)F 1145c2e7d9b4a4f051cf7454232d54fc [0,1,0,1,0,0|2,0,0]=4 13367 B13R1.462 CCSC(=O)OCNC1CC(C1)O 346acd03a3e3a28e300e920fe95254de [0,1,0,1,0,0|2,0,0]=4 13368 B13R1.462 CCSC(=O)OCN[C@H]1C[C@@H](C1)F 99ba31905cecb1cbe86ebe59b10ebe1d [0,1,0,1,0,0|2,0,0]=4 13369 B13R1.462 CCSC(=O)OCN[C@H]1C[C@@H](C1)O 70f2923e0fdbacc80f30283457ade44e [0,1,0,1,0,0|2,0,0]=4 13370 B13R1.462 CCSC(=O)OCN[C@H]1C[C@H](C1)F 9da7f83fb257a8ff8c0a0e808576f126 [0,1,0,1,0,0|2,0,0]=4 13371 B13R1.462 CCSC(=O)OCN[C@H]1C[C@H](C1)O b5e6bae7c280c95fc773a292e88ea9b4 [0,1,0,1,0,0|2,0,0]=4 13372 B13R1.462 CCSC(=O)OCOC1CC(C1)C 578d2c5ac89130138335d7a983a93b00 [0,1,0,1,0,0|2,0,0]=4 13373 B13R1.462 CCSC(=O)OCOC1CC(C1)F 1b8962e0d0d9fbd620a9bf7cb4a7d139 [0,1,0,1,0,0|2,0,0]=4 13374 B13R1.462 CCSC(=O)OCO[C@H]1C[C@@H](C1)F 6a3792ed40f8eb4d6fa8e84358070bb3 [0,1,0,1,0,0|2,0,0]=4 13375 B13R1.462 CCSC(=O)OCO[C@H]1C[C@H](C1)F 12a978836ba9c2735eb9ccdb19afd3b7 [0,1,0,1,0,0|2,0,0]=4 13376 B13R1.465 CC1(CCCCN1C(=O)CCF)C 2e301e8c71c99d8ddd5b81c6f179e019 [0,1,0,1,0,0|2,0,0]=4 13377 B13R1.465 CC1(CCCCN1C(=O)CCO)C 941211502496a8ac00c67a63e2f2063d [0,1,0,1,0,0|2,0,0]=4 13378 B13R1.465 CC1(CCCCN1C(=O)CCS)C 39bf13b9c8e616d738f7c1a1debe45e8 [0,1,0,1,0,0|2,0,0]=4 13379 B13R1.465 CCCC(=O)N1CCCCC1(C)C 8059044b7389f1597a02dd1ed93b63bb [0,1,0,1,0,0|1,0,0]=3 13380 B13R1.465 COCC(=O)N1CCCCC1(C)C d55659b7fadedd11b44bae0908d5f5b9 [0,1,0,1,0,0|2,0,0]=4 13381 B13R1.465 CSCC(=O)N1CCCCC1(C)C 5c6709eb8dda2c15ad4133c1f68778d8 [0,1,0,1,0,0|2,0,0]=4 13382 B13R1.467 CC(C)C1CCCN1C(=O)CCF e2767c4dd04e463e6bbb81c1ac49ae49 [0,1,0,1,0,0|2,0,0]=4 13383 B13R1.467 CC(C)C1CCCN1C(=O)CCO ee79b11e5836936ae626a16a30ba8bea [0,1,0,1,0,0|2,0,0]=4 13384 B13R1.467 CC(C)C1CCCN1C(=O)CCS 4606910fb5c1d68f7068784888d67cb4 [0,1,0,1,0,0|2,0,0]=4 13385 B13R1.467 CC(C)[C@@H]1CCCN1C(=O)CCF c29754dcd347e65cb1feb1f9f4dbd526 [0,1,0,1,0,0|2,0,0]=4 13386 B13R1.467 CC(C)[C@@H]1CCCN1C(=O)CCO a04c80e8fa756b2e887bf13d289668a0 [0,1,0,1,0,0|2,0,0]=4 13387 B13R1.467 CC(C)[C@@H]1CCCN1C(=O)CCS 15b92255cb8d45def0ca3b0ff8f62581 [0,1,0,1,0,0|2,0,0]=4 13388 B13R1.467 CC(O)C1CCCN1C(=O)CCF 951e6058ec980d6a8f7a8b3182a4eb49 [0,1,0,1,0,0|2,0,0]=4 13389 B13R1.467 CC(O)C1CCCN1C(=O)CCO 40f0c74187f415c0451108ede1aff32b [0,1,0,1,0,0|2,0,0]=4 13390 B13R1.467 CC(O)C1CCCN1C(=O)CCS 9e701993117d02f909fdfcdf4e26eadc [0,1,0,1,0,0|2,0,0]=4 13391 B13R1.467 CC(O)[C@H]1CCCN1C(=O)CCF e3df9233b8d48d025950a3a6dc4c8f8d [0,1,0,1,0,0|2,0,0]=4 13392 B13R1.467 CC(O)[C@H]1CCCN1C(=O)CCO d3bb81637a42ac71351ffa3d0aa816db [0,1,0,1,0,0|2,0,0]=4 13393 B13R1.467 CC(O)[C@H]1CCCN1C(=O)CCS fa31254cb69c9214c3b86dc94ea1c86f [0,1,0,1,0,0|2,0,0]=4 13394 B13R1.467 CCCC(=O)N1CCCC1C(C)C c7da0105b6c16e01a52da759893fd6ae [0,1,0,1,0,0|1,0,0]=3 13395 B13R1.467 CCCC(=O)N1CCCC1C(C)O bc92a8701a4f4657676a8007ca133165 [0,1,0,1,0,0|1,0,0]=3 13396 B13R1.467 CCCC(=O)N1CCCC1C(F)F 1b32093cef3c41d02741e6a546eccb69 [0,1,0,1,0,0|2,0,0]=4 13397 B13R1.467 CCCC(=O)N1CCC[C@@H]1C(C)O 048d5894f125e1f244bfe4e25b1e30a9 [0,1,0,1,0,0|1,0,0]=3 13398 B13R1.467 CCCC(=O)N1CCC[C@@H]1C(F)F 87e92c4943b375ded024cacb99ef6f17 [0,1,0,1,0,0|2,0,0]=4 13399 B13R1.467 CCCC(=O)N1CCC[C@H]1C(C)C ccdf8c568f7c9c02822dfbac8e9c8441 [0,1,0,1,0,0|1,0,0]=3 13400 B13R1.467 CCCC(=O)N1CCC[C@H]1C(F)F f94c7ad4d902bee6f3e372b1622a7eba [0,1,0,1,0,0|2,0,0]=4 13401 B13R1.467 CCCC(=O)N1CCC[C@H]1[C@H](C)O 7dd11d0202e1e1be877d639b1de79ed3 [0,1,0,1,0,0|1,0,0]=3 13402 B13R1.467 COCC(=O)N1CCCC1C(C)C 785057f11dc05d4a2fbc08efbb41438e [0,1,0,1,0,0|2,0,0]=4 13403 B13R1.467 COCC(=O)N1CCCC1C(C)O 53fa406fd87939e363ec4e4b27330e32 [0,1,0,1,0,0|2,0,0]=4 13404 B13R1.467 COCC(=O)N1CCC[C@@H]1C(C)O de9b87092b409c1c3d2fe3a804ffcf2a [0,1,0,1,0,0|2,0,0]=4 13405 B13R1.467 COCC(=O)N1CCC[C@H]1C(C)C cb36d48aac4eb80aa40ee7b3d3d9e0e3 [0,1,0,1,0,0|2,0,0]=4 13406 B13R1.467 COCC(=O)N1CCC[C@H]1[C@H](C)O 667629d06112c8d7f7ced7d294d3f7e5 [0,1,0,1,0,0|2,0,0]=4 13407 B13R1.467 CSCC(=O)N1CCCC1C(C)C 0463078af107cf666a5c32d26571de9d [0,1,0,1,0,0|2,0,0]=4 13408 B13R1.467 CSCC(=O)N1CCCC1C(C)O b785e43c03790a3519f55fc222a7ec2b [0,1,0,1,0,0|2,0,0]=4 13409 B13R1.467 CSCC(=O)N1CCC[C@@H]1C(C)O e661c6305ac0b9468436ec65f2d06a09 [0,1,0,1,0,0|2,0,0]=4 13410 B13R1.467 CSCC(=O)N1CCC[C@H]1C(C)C 2e52c0161b7e725b3ec1c747475f1f6b [0,1,0,1,0,0|2,0,0]=4 13411 B13R1.467 CSCC(=O)N1CCC[C@H]1[C@H](C)O 761878a3fb58cf9784dca865e9072269 [0,1,0,1,0,0|2,0,0]=4 13412 B13R1.467 C[C@H](O)[C@@H]1CCCN1C(=O)CCF 6b94913020150da470b7a17224de81a3 [0,1,0,1,0,0|2,0,0]=4 13413 B13R1.467 C[C@H](O)[C@@H]1CCCN1C(=O)CCO e9f68d8df20540d43f2811b62ef92c70 [0,1,0,1,0,0|2,0,0]=4 13414 B13R1.467 C[C@H](O)[C@@H]1CCCN1C(=O)CCS 92d719153d3783b588ecf804dce4a222 [0,1,0,1,0,0|2,0,0]=4 13415 B13R1.692 CC1(CCCC1NC(=O)CCF)C dec36fd5dffdf2ef24c3e954cb6bea83 [0,1,0,1,0,0|2,0,0]=4 13416 B13R1.692 CC1(CCCC1NC(=O)CCF)O 25760e38b736f27405d1b924fbf366ed [0,1,0,1,0,0|2,0,0]=4 13417 B13R1.692 CC1(CCCC1NC(=O)CCO)C dfa45013a5fd13e11d6ccac50ec5ae60 [0,1,0,1,0,0|2,0,0]=4 13418 B13R1.692 CC1(CCCC1NC(=O)CCO)O acfbfe8c6b31b1909cabe2d9de0ef9ef [0,1,0,1,0,0|2,0,0]=4 13419 B13R1.692 CC1(CCCC1NC(=O)CCS)C bf0e9e14c902fc9127a0e894e138b31e [0,1,0,1,0,0|2,0,0]=4 13420 B13R1.692 CC1(CCCC1NC(=O)CCS)O f55e26b4d64df89913ebf5c00979adb1 [0,1,0,1,0,0|2,0,0]=4 13421 B13R1.692 CCCC(=O)CN1CCCC1(C)C 65000956fca481a95798bd31d9ff1db1 [0,1,0,1,0,0|2,0,0]=4 13422 B13R1.692 CCCC(=O)NC1CCCC1(C)C 39452bf947d09ee1cd1436fcfc56d949 [0,1,0,1,0,0|1,0,0]=3 13423 B13R1.692 CCCC(=O)NC1CCCC1(C)O ed860ae15fb4d0f73ff6712cc5783320 [0,1,0,1,0,0|1,0,0]=3 13424 B13R1.692 CCCC(=O)NC1CCCC1(F)F 4067e2936292923c1b12ef2519748671 [0,1,0,1,0,0|2,0,0]=4 13425 B13R1.692 CCCC(=O)NC1CCOC1(C)C d3140362c93a5f5bc6e9eaf2f8cede55 [0,1,0,1,0,0|2,0,0]=4 13426 B13R1.692 CCCC(=O)N[C@@H]1CCC[C@@]1(C)O c98a1dbffc157b7bc96ae59472ad77ce [0,1,0,1,0,0|1,0,0]=3 13427 B13R1.692 CCCC(=O)N[C@H]1CCC[C@]1(C)O 6b0443d01cc029a320a8c370048eb101 [0,1,0,1,0,0|1,0,0]=3 13428 B13R1.692 CCCC(=S)OC1CCCC1(F)F b0230f6015c2e419470141fa98e2b01b [0,1,0,1,0,0|1,1,0]=4 13429 B13R1.692 COCC(=O)NC1CCCC1(C)C 6082a82b2bf3fc4a836fe0a2e00e4f16 [0,1,0,1,0,0|2,0,0]=4 13430 B13R1.692 COCC(=O)NC1CCCC1(C)O 43525aa7fb663ab54dfb854a233faf14 [0,1,0,1,0,0|2,0,0]=4 13431 B13R1.692 COCC(=O)N[C@@H]1CCC[C@@]1(C)O 97d5f0e0f969dd680c4d46f00faf7ece [0,1,0,1,0,0|2,0,0]=4 13432 B13R1.692 COCC(=O)N[C@H]1CCC[C@]1(C)O 7d9d16062154f73bae8d248c84d82a7b [0,1,0,1,0,0|2,0,0]=4 13433 B13R1.692 CSCC(=O)NC1CCCC1(C)C 3dbdd624e46bf4411fc5037bc66377cc [0,1,0,1,0,0|2,0,0]=4 13434 B13R1.692 CSCC(=O)NC1CCCC1(C)O e9906da5cdad179e1284ea828b59ee82 [0,1,0,1,0,0|2,0,0]=4 13435 B13R1.692 CSCC(=O)N[C@@H]1CCC[C@@]1(C)O d4656fe28b29dbdd3ac78c875b4f1358 [0,1,0,1,0,0|2,0,0]=4 13436 B13R1.692 CSCC(=O)N[C@H]1CCC[C@]1(C)O da3205193eda6ce0977362216537fab2 [0,1,0,1,0,0|2,0,0]=4 13437 B13R1.692 C[C@@]1(CCC[C@@H]1NC(=O)CCF)O 741c8b6b1f47fa7c8c15988b536c27ab [0,1,0,1,0,0|2,0,0]=4 13438 B13R1.692 C[C@@]1(CCC[C@@H]1NC(=O)CCO)O ddafb9aed7de50506856c59a9d5afd19 [0,1,0,1,0,0|2,0,0]=4 13439 B13R1.692 C[C@@]1(CCC[C@@H]1NC(=O)CCS)O cadb0c7ab11e7549f77f258b09fd2556 [0,1,0,1,0,0|2,0,0]=4 13440 B13R1.692 C[C@]1(CCC[C@H]1NC(=O)CCF)O 9f9727cfe55720fecc3076fcd2217dd0 [0,1,0,1,0,0|2,0,0]=4 13441 B13R1.692 C[C@]1(CCC[C@H]1NC(=O)CCO)O b34902f5649d4d70d09c88f31a06467b [0,1,0,1,0,0|2,0,0]=4 13442 B13R1.692 C[C@]1(CCC[C@H]1NC(=O)CCS)O c9245d82f5aa2ef6d3161bcce24f8910 [0,1,0,1,0,0|2,0,0]=4 13443 B13R1.1080 C=C(C)CCNCOC(=O)C1CC1 c3e06c36d90603176001c8bf126ce683 [0,1,0,1,0,0|1,0,1]=4 13444 B13R1.1080 C=C(C)CCOCOC(=O)C1CC1 2464cc48844431e764278a79b1c7bd10 [0,1,0,1,0,0|1,0,1]=4 13445 B13R1.1080 CC(=O)CCOCOC(=O)C1CC1 eca7116a8b6dab63cdb9ec81fe9fb432 [0,1,0,1,0,0|1,0,1]=4 13446 B13R1.1080 CC(C)CCCCOC(C)C1CC1 0f9333abf841d3d724a17ecf7a3ef5f6 [0,1,0,1,0,0|1,0,1]=4 13447 B13R1.1080 CC(C)CCCCO[C@@H](C)C1CC1 dcade3b7cd54a3ce4e73b9e0ccd2f00a [0,1,0,1,0,0|1,0,1]=4 13448 B13R1.1080 CC(C)CCCCO[C@H](C)C1CC1 6e4ddfac792d1daac60562271667a7b1 [0,1,0,1,0,0|1,0,1]=4 13449 B13R1.1080 CC(C)CCCNCC(=O)C1CC1 d1a08582267c5aa010170b43356c5230 [0,1,0,1,0,0|2,0,0]=4 13450 B13R1.1080 CC(C)CCCOCC(=O)C1CC1 181ea99a60ea0a315c9b194c8febec0f [0,1,0,1,0,0|2,0,0]=4 13451 B13R1.1080 CC(C)CCNCOC(=O)C1CC1 69c239bfab26038bc5c2a6f1c7447171 [0,1,0,1,0,0|1,0,0]=3 13452 B13R1.1080 CC(C)CCOCOC(=O)C1CC1 054be6052e0a7dafbbf5a9129a95c2ea [0,1,0,1,0,0|1,0,0]=3 13453 B13R1.1080 CC(O)CCNCOC(=O)C1CC1 b9f44050ad8c7a962ff5ea3e9984fbe7 [0,1,0,1,0,0|1,0,0]=3 13454 B13R1.1080 CN(C)CCNCOC(=O)C1CC1 ea35c2edec84d4b56e0188bad1889cbf [0,1,0,1,0,0|2,0,0]=4 13455 B13R1.1080 CN(C)CCOCOC(=O)C1CC1 9e981ec6dff79cb8557b87c75f676427 [0,1,0,1,0,0|2,0,0]=4 13456 B13R1.1080 CS(=O)CCNCOC(=O)C1CC1 04cd68722ffcb15526bb9a0115403c7e [0,1,0,1,0,0|2,0,0]=4 13457 B13R1.1080 CS(=O)CCOCOC(=O)C1CC1 373d820f5cd5cf6c3a468f1b87421a4e [0,1,0,1,0,0|2,0,0]=4 13458 B13R1.1080 C[C@@H](O)CCNCOC(=O)C1CC1 d3368d84cd4cebef1339ff861b7db4c1 [0,1,0,1,0,0|1,0,0]=3 13459 B13R1.1080 C[C@H](O)CCNCOC(=O)C1CC1 4332f4f0b245ab8e60ed4055c21867ed [0,1,0,1,0,0|1,0,0]=3 13460 B13R1.1080 O=C(OCNCCC(F)F)C1CC1 9f3ec66ecd4b07cfe53ab6e41592612b [0,1,0,1,0,0|2,0,0]=4 13461 B13R1.1080 O=C(OCOCCC(F)F)C1CC1 ac5d61649c6298c53d268009c6b52800 [0,1,0,1,0,0|2,0,0]=4 13462 B13R1.1474 CCCC(=O)NC1COC1C(C)C ea52842a7088ff2df6e0514ef9f81c90 [0,1,0,1,0,0|2,0,0]=4 13463 B13R1.1474 CCCC(=O)N[C@@H]1CO[C@@H]1C(C)C 50e4373418d1f03947028a1a9829a712 [0,1,0,1,0,0|2,0,0]=4 13464 B13R1.2551 CCCC(=O)COC1CCC1(C)C 864bbe7dee67be6faecd42c61b43597a [0,1,0,1,0,0|2,0,0]=4 13465 B13R1.2551 CCCC(=O)NCC1OCC1(C)C e7b8b93a058497938d28ab12e67afd15 [0,1,0,1,0,0|2,0,0]=4 13466 B13R1.2551 CCCC(=S)OCC1CCC1(F)F c800c6f7dfefc935baa55160d7f69038 [0,1,0,1,0,0|1,1,0]=4 13467 B13R1.2553 CCCC(=O)CNC[C@@H]1CC1(C)C a359815606a2a303087e952927e84c6d [0,1,0,1,0,0|2,0,0]=4 13468 B13R1.2553 CCCC(=O)CNC[C@H]1CC1(C)C da0dc13ab2114f66b42da07fadb1010b [0,1,0,1,0,0|2,0,0]=4 13469 B13R1.2553 CCCC(=O)COCC1CC1(C)C 2ccca293b211a140ec46177789010a08 [0,1,0,1,0,0|2,0,0]=4 13470 B13R1.2553 CCCC(=O)COC[C@@H]1CC1(C)C dc1c9aec64af63d105944d25333801fc [0,1,0,1,0,0|2,0,0]=4 13471 B13R1.2553 CCCC(=O)COC[C@H]1CC1(C)C 8761370e8029c988ea2f9f57ae88d279 [0,1,0,1,0,0|2,0,0]=4 13472 B13R1.2553 CCCC(=O)OCNC1CC1(C)C 56221dfce2a5569cce0e3cfe26bb6109 [0,1,0,1,0,0|1,0,0]=3 13473 B13R1.2553 CCCC(=O)OCNC1CC1(F)F bf0416d76c89ad42fd548c673b972331 [0,1,0,1,0,0|2,0,0]=4 13474 B13R1.2553 CCCC(=O)OCN[C@@H]1CC1(C)C 1eee569f520ad1551b73051d4c275b29 [0,1,0,1,0,0|1,0,0]=3 13475 B13R1.2553 CCCC(=O)OCN[C@H]1CC1(C)C 1fdb466deded097c6f3c901446c1ebb8 [0,1,0,1,0,0|1,0,0]=3 13476 B13R1.2553 CCCC(=O)OCOC1CC1(F)F cc89d7d0e54307dff4abb16498ba585d [0,1,0,1,0,0|2,0,0]=4 13477 B13R1.2553 CCCC(=S)OCCC1CC1(F)F 48c0a71561295ddc48af1910319efe58 [0,1,0,1,0,0|1,1,0]=4 13478 B13R1.2553 CCOC(=O)OCNC1CC1(C)C a2a57b449b05a3d2083e2637c384dbd9 [0,1,0,1,0,0|2,0,0]=4 13479 B13R1.2553 CCOC(=O)OCN[C@@H]1CC1(C)C 020d036a9769321e065f1db7c6c8eb1f [0,1,0,1,0,0|2,0,0]=4 13480 B13R1.2553 CCOC(=O)OCN[C@H]1CC1(C)C ffe90fb7a2ca9b8fd13f497eeec30aa6 [0,1,0,1,0,0|2,0,0]=4 13481 B13R1.2553 CCSC(=O)OCNC1CC1(C)C 29e04e687d3361ebe5e4bd5028780c95 [0,1,0,1,0,0|2,0,0]=4 13482 B13R1.2553 CCSC(=O)OCN[C@@H]1CC1(C)C c119d69be3b6c293903c665ceb078d95 [0,1,0,1,0,0|2,0,0]=4 13483 B13R1.2553 CCSC(=O)OCN[C@H]1CC1(C)C cb29d62e21a09cdc0efc4c9bfbe4e90d [0,1,0,1,0,0|2,0,0]=4 13484 B13R1.3485 C=C(C)CCOC1OC(=O)CC1C 818a81d5b50c11366765279809bba1e5 [0,1,0,1,0,0|1,0,1]=4 13485 B13R1.3485 CC(=O)CCOC1OC(=O)CC1C 2adbb61c8d51e73368842d5ff9ff4eba [0,1,0,1,0,0|1,0,1]=4 13486 B13R1.3485 CC(C)CCOC1OC(=O)CC1C a1309269f69b0dcd9415781f46d78d2d [0,1,0,1,0,0|1,0,0]=3 13487 B13R1.3485 CC(C)OCOC1OC(=O)CC1C 35f2cadc4e8b74ef092979ae89084963 [0,1,0,1,0,0|2,0,0]=4 13488 B13R1.3485 CC1CC(=O)OC1OCCN(C)C 29ce9f1158c9ad6a49d99ba8cbc8ff61 [0,1,0,1,0,0|2,0,0]=4 13489 B13R1.3485 CC1CC(=O)OC1OCCS(=O)C e92974cbf45496a29c59364a591e5c0f [0,1,0,1,0,0|2,0,0]=4 13490 B13R1.3506 CC(C)CN1CCNC(=O)CC1C d7ba5160679c9d0c1ac07e05b431ddb5 [0,1,0,1,0,0|2,0,0]=4 13491 B13R1.3506 CC(O)CN1CCNC(=O)CC1C a462a04d403004c980bc8a6bac243350 [0,1,0,1,0,0|2,0,0]=4 13492 B13R1.3506 CC1CC(=O)NCCN1C[C@@H](C)O 6af82229140e9e3b1701f6acf6d202f2 [0,1,0,1,0,0|2,0,0]=4 13493 B13R1.3506 CC1CC(=O)NCCN1C[C@H](C)O 227c0893384037f35af55267c3eb3a02 [0,1,0,1,0,0|2,0,0]=4 13494 B13R1.3780 CC(C)OC1CCCC(=O)CCC1 f0d9bc003aaff3fd44c1ea3835abc2b9 [0,1,0,1,0,0|2,0,0]=4 13495 B13R1.3796 CC(C)CCN1CCCC(=O)CC1 13800f63f60a21ee311dc6c0748ba347 [0,1,0,1,0,0|2,0,0]=4 13496 B13R1.3796 CC(C)COC1CCCC(=O)NC1 7009ea943362f35bd2f6de2cef57dc43 [0,1,0,1,0,0|2,0,0]=4 13497 B13R1.3796 CC(O)CCN1CCCC(=O)CC1 0a7b1e01a8b8e421241f0b1602e006d4 [0,1,0,1,0,0|2,0,0]=4 13498 B13R1.690 CCCC(=O)CN1C[C@@H](C[C@@H]1C)O 03c629f0a5c8d35d17200ba6e8fbd0a2 [0,1,0,1,0,0|2,0,0]=4 13499 B13R1.690 CCCC(=O)CN1C[C@@H](C[C@H]1C)O 2ae014a5014206ed5d83247a6990a0fe [0,1,0,1,0,0|2,0,0]=4 13500 B13R1.690 CCCC(=O)CN1C[C@H](C[C@@H]1C)O cd4f579d2bb39276149f3f2defacbf12 [0,1,0,1,0,0|2,0,0]=4 13501 B13R1.690 CCCC(=O)CN1C[C@H](C[C@H]1C)O 804de59663aaa7c5751e187310a9c55d [0,1,0,1,0,0|2,0,0]=4 13502 B13R1.690 COCC(C)OC1OC(=O)CC1C 3b81ac6bf258eaa98e197c76de8a74a5 [0,1,0,1,0,0|2,0,0]=4 13503 B13R1.1496 CC(CCO)NCOC(=O)C1CC1 1e69dca6e7af53ad0b334ceaf004fb57 [0,1,0,1,0,0|2,0,0]=4 13504 B13R1.1496 CCCC(=O)CNCC(O)C1CC1 cf091ae85ab6b837fa5a4cb1c108e6e2 [0,1,0,1,0,0|2,0,0]=4 13505 B13R1.1496 CCCC(=O)COCC(C)C1CC1 d5391f88a084d7c235ece6a0eb3a1fdb [0,1,0,1,0,0|2,0,0]=4 13506 B13R1.1496 CCCC(=O)OCN[C@@H](C)C1CC1 6f3464ce4e63f28dfbf27f6ea25f5bbf [0,1,0,1,0,0|1,0,0]=3 13507 B13R1.1496 CCCC(=O)OCN[C@H](C)C1CC1 921b043813d54e2887ade8481bf6641a [0,1,0,1,0,0|1,0,0]=3 13508 B13R1.1496 CCCC(=O)OCOC(C)C1CC1 eff1c18f359322e80a5686936088c18a [0,1,0,1,0,0|1,0,0]=3 13509 B13R1.1496 CCCC(=O)OCO[C@@H](C)C1CC1 8503d4bd45c4c1b3cc933685ffe523a1 [0,1,0,1,0,0|1,0,0]=3 13510 B13R1.1496 CCCC(=O)OCO[C@H](C)C1CC1 2c8a960c0f9cc62d7bdf1f2b6ec00461 [0,1,0,1,0,0|1,0,0]=3 13511 B13R1.1496 CCCC(=S)OCOC(=O)C1CC1 625809aac730fea16b3bfb7679b2c020 [0,1,0,1,0,0|1,0,1]=4 13512 B13R1.1496 CCCC(C)CCOC(C)C1CC1 abef8bbe49851528be4a4fc8f433aece [0,1,0,1,0,0|1,0,1]=4 13513 B13R1.1496 CCCC(C)COCC(=O)C1CC1 704a7c179eb70287468b63df978392cf [0,1,0,1,0,0|2,0,0]=4 13514 B13R1.1496 CCCC(C)NCOC(=O)C1CC1 2866b05e12ddfff4465820373247e6fe [0,1,0,1,0,0|1,0,0]=3 13515 B13R1.1496 CCCC(O)CNCC(=O)C1CC1 1c2f22cbccde59ec84bfdba9a85768cf [0,1,0,1,0,0|2,0,0]=4 13516 B13R1.1496 CCCC(S)CCOC(C)C1CC1 778595abd18601e6920d0d14b4b57789 [0,1,0,1,0,0|1,0,1]=4 13517 B13R1.1496 CCC[C@H](C)NCOC(=O)C1CC1 27d0911e32ffbf7cc5074ee91c875874 [0,1,0,1,0,0|1,0,0]=3 13518 B13R1.1496 CCOC(=O)OCN[C@@H](C)C1CC1 c7f05f7a511072153ca0c0f08912512f [0,1,0,1,0,0|2,0,0]=4 13519 B13R1.1496 CCOC(=O)OCN[C@H](C)C1CC1 d9caa93156af044a4f35f5817fb83f52 [0,1,0,1,0,0|2,0,0]=4 13520 B13R1.1496 CCOC(=O)OCOC(C)C1CC1 b72024e8d656457764b19f707b8ce0e0 [0,1,0,1,0,0|2,0,0]=4 13521 B13R1.1496 CCOC(=O)OCO[C@@H](C)C1CC1 c9e74ee49270860d788b90f0a28abb47 [0,1,0,1,0,0|2,0,0]=4 13522 B13R1.1496 CCOC(=O)OCO[C@H](C)C1CC1 ad5a265be115c57b9e427d5ff4169600 [0,1,0,1,0,0|2,0,0]=4 13523 B13R1.1496 CCSC(=O)OCN[C@@H](C)C1CC1 6930848c1cb9427621e26a734bc846ce [0,1,0,1,0,0|2,0,0]=4 13524 B13R1.1496 CCSC(=O)OCN[C@H](C)C1CC1 99e5e1a0da04b9461dd085290abb4865 [0,1,0,1,0,0|2,0,0]=4 13525 B13R1.1496 CCSC(=O)OCOC(C)C1CC1 a642cb1e618730eaeec004e6a4ad51bc [0,1,0,1,0,0|2,0,0]=4 13526 B13R1.1496 CCSC(=O)OCO[C@@H](C)C1CC1 eebd343ffe50935c95a804c00fe7d5d8 [0,1,0,1,0,0|2,0,0]=4 13527 B13R1.1496 CCSC(=O)OCO[C@H](C)C1CC1 c42f70bbad9495ea3534fa5518fe58a5 [0,1,0,1,0,0|2,0,0]=4 13528 B13R1.1496 COCC(C)NCOC(=O)C1CC1 256763a06d6b5387812a2f6260ab571c [0,1,0,1,0,0|2,0,0]=4 13529 B13R1.1496 COC[C@@H](C)NCOC(=O)C1CC1 dd82e30408df256cd3802aecdf473a0e [0,1,0,1,0,0|2,0,0]=4 13530 B13R1.1496 COC[C@H](C)NCOC(=O)C1CC1 3f1184bd0a85452fef3e2261b996f1c6 [0,1,0,1,0,0|2,0,0]=4 13531 B13R1.1496 C[C@@H](CCO)NCOC(=O)C1CC1 e3cabb02dc2ca887c22dcaaab258ce07 [0,1,0,1,0,0|2,0,0]=4 13532 B13R1.1496 C[C@H](CCO)NCOC(=O)C1CC1 e64564ff689268f32bb46a9cfa203978 [0,1,0,1,0,0|2,0,0]=4 13533 B13R1.1511 CC1CC(CCN1C(=O)CCF)O 2fc9f22d3c252ad060272952ede4ccab [0,1,0,1,0,0|2,0,0]=4 13534 B13R1.1511 CC1CC(CCN1C(=O)CCO)O f7c0ebed0768310f21bcb74b47d71039 [0,1,0,1,0,0|2,0,0]=4 13535 B13R1.1511 CC1CC(CCN1C(=O)CCS)O 5cb4c10e25927ecd7c8188dbbdc1a349 [0,1,0,1,0,0|2,0,0]=4 13536 B13R1.1511 CC1CCN(C(C1)C)C(=O)CCF e448e7318a649e9a9a456655ec033b86 [0,1,0,1,0,0|2,0,0]=4 13537 B13R1.1511 CC1CCN(C(C1)C)C(=O)CCO a3c503f6abcc6644c19cd69d24ca74ee [0,1,0,1,0,0|2,0,0]=4 13538 B13R1.1511 CC1CCN(C(C1)C)C(=O)CCS b2c61b57cbdd97a52ad68fb8795fc8dd [0,1,0,1,0,0|2,0,0]=4 13539 B13R1.1511 CCCC(=O)N1CCC(CC1C)C 80d9997566a8d77408a3e22c77a93426 [0,1,0,1,0,0|1,0,0]=3 13540 B13R1.1511 CCCC(=O)N1CCC(CC1C)O 9248b350519813a8d20c3cdc47150884 [0,1,0,1,0,0|1,0,0]=3 13541 B13R1.1511 CCCC(=O)N1CCN(CC1C)C 187cfaa1c1e427c95a4728fc2a172d7a [0,1,0,1,0,0|2,0,0]=4 13542 B13R1.1511 CCCC(=O)N1CCN(C[C@@H]1C)C e6ca5ded9bad5784a9e959eb1066596c [0,1,0,1,0,0|2,0,0]=4 13543 B13R1.1511 CCCC(=O)N1CCN(C[C@H]1C)C 322ed77100f31517cb41e3705fddec2b [0,1,0,1,0,0|2,0,0]=4 13544 B13R1.1511 CCCC(=O)N1CC[C@@H](C[C@@H]1C)C d2c563c7cc7d9da69fed7c22abf6a012 [0,1,0,1,0,0|1,0,0]=3 13545 B13R1.1511 CCCC(=O)N1CC[C@@H](C[C@H]1C)O dfa609e1f50ac5572b36b659c8084dba [0,1,0,1,0,0|1,0,0]=3 13546 B13R1.1511 CCCC(=O)N1CC[C@H](C[C@H]1C)C 7c6119eef7a535acfd1c4539bb352478 [0,1,0,1,0,0|1,0,0]=3 13547 B13R1.1511 CCCC(=O)N1CC[C@H](C[C@H]1C)O e6a54129a97f511f2fd91183793e9cba [0,1,0,1,0,0|1,0,0]=3 13548 B13R1.1511 COCC(=O)N1CCC(CC1C)C 900fd2ca1de808b56a142cb17c8622b9 [0,1,0,1,0,0|2,0,0]=4 13549 B13R1.1511 COCC(=O)N1CCC(CC1C)O deab34c4ca3cf287a4260ae99478210d [0,1,0,1,0,0|2,0,0]=4 13550 B13R1.1511 COCC(=O)N1CC[C@@H](C[C@@H]1C)C 6b58d3d497e85bd930fe5ff065d97e62 [0,1,0,1,0,0|2,0,0]=4 13551 B13R1.1511 COCC(=O)N1CC[C@@H](C[C@H]1C)O c1e2b472ccc4095b2e7928c165b82768 [0,1,0,1,0,0|2,0,0]=4 13552 B13R1.1511 COCC(=O)N1CC[C@H](C[C@H]1C)C 7d9bbd18e70d1b14675a9a2702d005ea [0,1,0,1,0,0|2,0,0]=4 13553 B13R1.1511 COCC(=O)N1CC[C@H](C[C@H]1C)O 4fd2c521c88cf95b8fad8f0b4b98933f [0,1,0,1,0,0|2,0,0]=4 13554 B13R1.1511 CSCC(=O)N1CCC(CC1C)C 67f9b9cc251f8eca443b99503318aa38 [0,1,0,1,0,0|2,0,0]=4 13555 B13R1.1511 CSCC(=O)N1CCC(CC1C)O 5643290f04270d6b16070a29818cf10a [0,1,0,1,0,0|2,0,0]=4 13556 B13R1.1511 CSCC(=O)N1CC[C@@H](C[C@@H]1C)C 45cba642835ab416133f32272844f8ed [0,1,0,1,0,0|2,0,0]=4 13557 B13R1.1511 CSCC(=O)N1CC[C@@H](C[C@H]1C)O 55c3456d1a7c0dab7efb850bf8e46f42 [0,1,0,1,0,0|2,0,0]=4 13558 B13R1.1511 CSCC(=O)N1CC[C@H](C[C@H]1C)C e6f46749b4ff4e89f77c935b59bb71eb [0,1,0,1,0,0|2,0,0]=4 13559 B13R1.1511 CSCC(=O)N1CC[C@H](C[C@H]1C)O 3d160c2a23890ce4af8df623267a4c5d [0,1,0,1,0,0|2,0,0]=4 13560 B13R1.1511 C[C@@H]1CCN([C@@H](C1)C)C(=O)CCF 1a3fb871b417cf044b1d6b6ce2b2fa21 [0,1,0,1,0,0|2,0,0]=4 13561 B13R1.1511 C[C@@H]1CCN([C@@H](C1)C)C(=O)CCO 31564ec6ef6f1d9140bb41d7d0632de2 [0,1,0,1,0,0|2,0,0]=4 13562 B13R1.1511 C[C@@H]1CCN([C@@H](C1)C)C(=O)CCS bf700c810799e4e8fafd698adbf0977c [0,1,0,1,0,0|2,0,0]=4 13563 B13R1.1511 C[C@@H]1C[C@@H](CCN1C(=O)CCF)O a910dbc5a898f53e567886d3540457e6 [0,1,0,1,0,0|2,0,0]=4 13564 B13R1.1511 C[C@@H]1C[C@@H](CCN1C(=O)CCO)O b0fe2dae4dbacbf8854fab0a79a19ab2 [0,1,0,1,0,0|2,0,0]=4 13565 B13R1.1511 C[C@@H]1C[C@@H](CCN1C(=O)CCS)O f97e51d3c31dd60e5508a8c26a7f0bbb [0,1,0,1,0,0|2,0,0]=4 13566 B13R1.1511 C[C@@H]1C[C@H](CCN1C(=O)CCF)O 71e3884d0c14e3c90ba797aa57f01355 [0,1,0,1,0,0|2,0,0]=4 13567 B13R1.1511 C[C@@H]1C[C@H](CCN1C(=O)CCO)O 862f6dfa0751954f82c32f1fe37674c5 [0,1,0,1,0,0|2,0,0]=4 13568 B13R1.1511 C[C@@H]1C[C@H](CCN1C(=O)CCS)O c9b2c8312ead04969b2de00583256dd2 [0,1,0,1,0,0|2,0,0]=4 13569 B13R1.1511 C[C@H]1CCN([C@H](C1)C)C(=O)CCF 194ba553da61e0b16cd78bc47b28da0f [0,1,0,1,0,0|2,0,0]=4 13570 B13R1.1511 C[C@H]1CCN([C@H](C1)C)C(=O)CCO 347a184e6b3ec16d8bb6711a26c9a754 [0,1,0,1,0,0|2,0,0]=4 13571 B13R1.1511 C[C@H]1CCN([C@H](C1)C)C(=O)CCS 1c53186f190ce1d1bedfac179d4bad51 [0,1,0,1,0,0|2,0,0]=4 13572 B13R1.2554 CCCC(=O)CNCC1(CCC1)O 0132cb2269ebef8fc7d90d99e2be393c [0,1,0,1,0,0|2,0,0]=4 13573 B13R1.2554 CCCC(=O)COCC1(CCC1)C f3f0a6c5d9163c4dd9a79689c84f1a51 [0,1,0,1,0,0|2,0,0]=4 13574 B13R1.2554 CCCC(=O)COCC1(CCC1)F aa3d26dbf2e2a87c219cf871d85ba28e [0,1,0,1,0,0|2,0,0]=4 13575 B13R1.2554 CCCC(=O)NCCC1(CCC1)O ce85121ead6fabb6ae0a9c47fa9300bc [0,1,0,1,0,0|1,0,0]=3 13576 B13R1.2554 CCCC(=O)NCCC1(COC1)O 5e5fed420695b14053ddbe80ae81bf10 [0,1,0,1,0,0|2,0,0]=4 13577 B13R1.2554 CCCC(=O)OCNC1(CCC1)C 8379cb6309629764bbd71f6d016b4fbc [0,1,0,1,0,0|1,0,0]=3 13578 B13R1.2554 CCCC(=O)OCNC1(COC1)C cd3498b0fd30b1b0f66166de01544384 [0,1,0,1,0,0|2,0,0]=4 13579 B13R1.2554 CCCC(=O)OCNC1(CSC1)C bcfca74875ff974e8b790006eac81773 [0,1,0,1,0,0|2,0,0]=4 13580 B13R1.2554 CCOC(=O)OCNC1(CCC1)C 6742d92dcd867bbb2ce3a963926e5b64 [0,1,0,1,0,0|2,0,0]=4 13581 B13R1.2554 CCSC(=O)OCNC1(CCC1)C 8ecea45a7b9ca49cbe48c3c5c399b0d2 [0,1,0,1,0,0|2,0,0]=4 13582 B13R1.2554 COCC(=O)NCCC1(CCC1)O ab433450ffa5ef053e06dfa18ff16d05 [0,1,0,1,0,0|2,0,0]=4 13583 B13R1.2554 CSCC(=O)NCCC1(CCC1)O af19361797ad8ef0913ab43445ed4ea5 [0,1,0,1,0,0|2,0,0]=4 13584 B13R1.2554 O=C(CCF)NCCC1(CCC1)O 803a9465eadf39a1482b9857abb966c2 [0,1,0,1,0,0|2,0,0]=4 13585 B13R1.2554 O=C(CCO)NCCC1(CCC1)O 8511215d3b6d8980ca32be1be485f3aa [0,1,0,1,0,0|2,0,0]=4 13586 B13R1.2554 O=C(CCS)NCCC1(CCC1)O 7dc26287074c6b088f57907975006a7c [0,1,0,1,0,0|2,0,0]=4 13587 B13R1.5521 CCCC(=O)OCN1C(CC1C)C eba5abb950f76ea6e1c89a20738a861a [0,1,0,1,0,0|1,0,0]=3 13588 B13R1.5521 CCCC(=O)OCN1[C@@H](C[C@@H]1C)C 912347b68eada724cc47fdd0a0f5f71e [0,1,0,1,0,0|1,0,0]=3 13589 B13R1.5521 CCCC(=O)OCN1[C@@H](C[C@H]1C)C 8696fd1d8d80dc8f3a4a7140996ad99c [0,1,0,1,0,0|1,0,0]=3 13590 B13R1.5521 CCCC(=O)OCN1[C@H](C[C@@H]1C)C 5ee4d9a852208109767372c8fec8e945 [0,1,0,1,0,0|1,0,0]=3 13591 B13R1.5521 CCOC(=O)OCN1C(CC1C)C a38891a06b8976ca1217dd638edd0c67 [0,1,0,1,0,0|2,0,0]=4 13592 B13R1.5521 CCOC(=O)OCN1[C@@H](C[C@@H]1C)C 130d94337ec53651e6ea34150fca0cfb [0,1,0,1,0,0|2,0,0]=4 13593 B13R1.5521 CCOC(=O)OCN1[C@@H](C[C@H]1C)C 19d76972d3a217cc5757fd7bd59b1e72 [0,1,0,1,0,0|2,0,0]=4 13594 B13R1.5521 CCOC(=O)OCN1[C@H](C[C@@H]1C)C c998652bd1e20c421ef61fe6240501c1 [0,1,0,1,0,0|2,0,0]=4 13595 B13R1.5521 CCSC(=O)OCN1C(CC1C)C 6cb7246c1bcf8a48b6a43fe068a9ba0b [0,1,0,1,0,0|2,0,0]=4 13596 B13R1.5521 CCSC(=O)OCN1[C@@H](C[C@@H]1C)C 165a801c89c3fe9daf4d13cda3ebbf3e [0,1,0,1,0,0|2,0,0]=4 13597 B13R1.5521 CCSC(=O)OCN1[C@@H](C[C@H]1C)C 9c1fd4a4db124b87f8f56d973ea28d2c [0,1,0,1,0,0|2,0,0]=4 13598 B13R1.5521 CCSC(=O)OCN1[C@H](C[C@@H]1C)C 7b3d6a472e814aef4bea9215206fb8ed [0,1,0,1,0,0|2,0,0]=4 13599 B13R2.13 O=C1CCCN(C1)C2CCCC2 05ea12d63a99563936ebaa1196c4c08d [0,0,0,2,0,0|2,0,0]=4 13600 B13R2.153 CC1CC1NC2CCCC(=O)C2 3059028eb74ecef5ff46a82dea6fdb5b [0,0,0,2,0,0|2,0,0]=4 13601 B13R2.270 CCCN1CC2CC(=O)CC1C2 b86920e9b55bfbaca8a5af66b330660d [0,0,0,2,0,0|2,0,0]=4 13602 B13R2.3021 O=C1CCCN(C1)CC2CCC2 da14f3e4e1ce42166ac0930b245dcdb1 [0,0,0,2,0,0|2,0,0]=4 13603 B13R2.5331 O=C1CCCC(C1)COC2CC2 8ef1c421aea1e7630b649d9bc574a42d [0,0,0,2,0,0|2,0,0]=4 13604 B13R2.5331 O=C1CCCC(C1)NCC2CC2 6d879bb29c0796bfd8b042c2c6c35922 [0,0,0,2,0,0|2,0,0]=4 13605 B13R2.5331 O=C1CCCC(C1)OCC2CC2 47f074f64624f150fb4f7c718fb8b69d [0,0,0,2,0,0|2,0,0]=4 13606 B13R2.5331 O=C1CCCC(N1)CNC2CC2 0d33010296fb5c8593214c7f326c9282 [0,0,0,2,0,0|2,0,0]=4 13607 B13R2.5331 O=C1CCCC(N1)COC2CC2 a6e131c060038dee26313b785ef3bc9e [0,0,0,2,0,0|2,0,0]=4 13608 B13R2.5331 O=C1CCCN(C1)CCC2CC2 1f117663f9843da4841f239f64c1534a [0,0,0,2,0,0|2,0,0]=4 13609 B13R2.5331 O=C1CCC[C@@H](N1)COC2CC2 dcb0d7d094faf52fb587e558e50dcd10 [0,0,0,2,0,0|2,0,0]=4 13610 B13R2.5331 O=C1CCC[C@H](N1)COC2CC2 bc4d3a0117a23929ea33362d792fe9ba [0,0,0,2,0,0|2,0,0]=4 13611 B13R2.31 CC1CC(C1)OC2CCCCC2 75ebf5291c31076e7844135b77bde22d [0,0,0,2,0,0|1,0,1]=4 13612 B13R2.64 C1CCC(CC1)OC2CCCC2 b48124cdb8cf7f55202ee2c3e6699f3d [0,0,0,2,0,0|1,0,1]=4 13613 B13R2.64 C1CCC(CC1)OC2CCCO2 2a47c10f063c1410be68ab61bb9ddec4 [0,0,0,2,0,0|0,0,2]=4 13614 B13R2.444 CC(OC1CCCCC1)C2CC2 f0c3f701503014120e2a23fb6756d9f4 [0,0,0,2,0,0|1,0,1]=4 13615 B13R2.444 C[C@@H](OC1CCCCC1)C2CC2 2c3ea31366dc4a6ef33fdc7b0375c529 [0,0,0,2,0,0|1,0,1]=4 13616 B13R2.444 C[C@H](OC1CCCCC1)C2CC2 c63714067dc159e1ff9e5aaee305b9cb [0,0,0,2,0,0|1,0,1]=4 13617 B13R2.820 CCCC(=O)N1C2CCC1CC2 e1e7d9c3474187bfb4351a035ec7843c [0,0,0,2,0,0|1,0,0]=3 13618 B13R2.820 CCCC(=O)N1[C@H]2CC[C@@H]1CC2 a3aa6def7546ba88e782945b0c85e6f2 [0,0,0,2,0,0|1,0,0]=3 13619 B13R2.820 COCC(=O)N1C2CCC1CC2 e0635f79af6b87fc5975668180cbe7b7 [0,0,0,2,0,0|2,0,0]=4 13620 B13R2.820 COCC(=O)N1[C@H]2CC[C@@H]1CC2 f736f5286eaaa3c8acebe227e7151153 [0,0,0,2,0,0|2,0,0]=4 13621 B13R2.820 CSCC(=O)N1C2CCC1CC2 1dabb37d01f0b1a34cb0ff7c720abfe4 [0,0,0,2,0,0|2,0,0]=4 13622 B13R2.820 CSCC(=O)N1[C@H]2CC[C@@H]1CC2 c7ee93fc8df83a9ea8fa7493808fcf80 [0,0,0,2,0,0|2,0,0]=4 13623 B13R2.820 O=C(CCF)N1C2CCC1CC2 a8e2a51e1feceed8035a5f666be89b20 [0,0,0,2,0,0|2,0,0]=4 13624 B13R2.820 O=C(CCF)N1[C@H]2CC[C@@H]1CC2 570ec214ea565ed3a6a60ba138a4718d [0,0,0,2,0,0|2,0,0]=4 13625 B13R2.820 O=C(CCO)N1C2CCC1CC2 0edf0951516f81fa3ea10c45915d7616 [0,0,0,2,0,0|2,0,0]=4 13626 B13R2.820 O=C(CCO)N1[C@H]2CC[C@@H]1CC2 a9504ecc2d648218f950dfe14a9b75cc [0,0,0,2,0,0|2,0,0]=4 13627 B13R2.820 O=C(CCS)N1C2CCC1CC2 2452f93cb43bc192d4d5748056248f93 [0,0,0,2,0,0|2,0,0]=4 13628 B13R2.820 O=C(CCS)N1[C@H]2CC[C@@H]1CC2 9026dd9c29e6e62d93c0c37839f67fbb [0,0,0,2,0,0|2,0,0]=4 13629 B13R2.882 CCCC(=O)CN1C2C1CCC2 a62171cbef87dd08b9c00de866567a5f [0,0,0,2,0,0|2,0,0]=4 13630 B13R2.2229 CCCC(=O)CN1CCC2C1C2 1ec48d8222f7ae0cf5a10b04eac383f6 [0,0,0,2,0,0|2,0,0]=4 13631 B13R2.2229 CCCC(C)OC1CCC2C1C2 dfb1df4297613a8b16efee336c27c6f5 [0,0,0,2,0,0|1,0,1]=4 13632 B13R2.2229 CCCC(C)O[C@@H]1CC[C@@H]2[C@H]1C2 f229b393a9782322499210e5b092fc0d [0,0,0,2,0,0|1,0,1]=4 13633 B13R2.2232 CCCC(=O)CN1CC2CC2C1 240d35d0e7d552c896b240f543b8d2a6 [0,0,0,2,0,0|2,0,0]=4 13634 B13R2.2232 CCCC(C)OC1CC2CC2C1 92fa94efc9891817252206400aa5d168 [0,0,0,2,0,0|1,0,1]=4 13635 B13R2.2232 CCCC(C)OC1C[C@@H]2C[C@@H]2C1 d810326b12bb93599c5061a7f24699ef [0,0,0,2,0,0|1,0,1]=4 13636 B13R2.2232 CCCC(C)O[C@@H]1C[C@@H]2C[C@@H]2C1 eef498446f9aaab4931080254f439083 [0,0,0,2,0,0|1,0,1]=4 13637 B13R2.2232 CCCC(C)O[C@H]1C[C@@H]2C[C@@H]2C1 a57fd9edc18a0371e8e91a85d53f5a11 [0,0,0,2,0,0|1,0,1]=4 13638 B13R2.14693 CCCC(=O)N1C2COCC1C2 d49e9679690b243b757155a4a63c5ccb [0,0,0,2,0,0|2,0,0]=4 13639 B13R2.14823 CCCC(=O)N1C2C1CCCC2 3899f449c598f109baa1f9a039c0f911 [0,0,0,2,0,0|1,0,0]=3 13640 B13R2.14823 COCC(=O)N1C2C1CCCC2 f17a075a68820cc03bd1e6ce90f5fb19 [0,0,0,2,0,0|2,0,0]=4 13641 B13R2.14823 CSCC(=O)N1C2C1CCCC2 a0318581ff94fe44d6360521b07e15ab [0,0,0,2,0,0|2,0,0]=4 13642 B13R2.14823 O=C(CCF)N1C2C1CCCC2 5b3afd027237a1a40eebf9efb296da04 [0,0,0,2,0,0|2,0,0]=4 13643 B13R2.14823 O=C(CCO)N1C2C1CCCC2 bdf83fbcdcc27c8a648c2193fd4bae70 [0,0,0,2,0,0|2,0,0]=4 13644 B13R2.14823 O=C(CCS)N1C2C1CCCC2 27f97c2290b815fc490e267877cc81c4 [0,0,0,2,0,0|2,0,0]=4 13645 B13R2.29 CC1CCCC1OC2CCCC2 ff9f31077f636e9a27d18371fdcac46d [0,0,0,2,0,0|1,0,1]=4 13646 B13R2.29 C[C@@H]1CCC[C@@H]1OC2CCCC2 4ce32df82b94762e19172d6ab7e30a99 [0,0,0,2,0,0|1,0,1]=4 13647 B13R2.29 C[C@@H]1CCC[C@H]1OC2CCCC2 4eed66a57d2efe55e69e28627f61680f [0,0,0,2,0,0|1,0,1]=4 13648 B13R2.29 C[C@H]1CCC[C@@H]1OC2CCCC2 ddea7d8a926a1f11902860d8c9408975 [0,0,0,2,0,0|1,0,1]=4 13649 B13R2.29 C[C@H]1CCC[C@H]1OC2CCCC2 54cf3bd35ab8d2263fe689bf48cb42e2 [0,0,0,2,0,0|1,0,1]=4 13650 B13R2.29 O=C1CCCC1NC2CCCC2 00adfe7c8a96616caef6275a8029c3fc [0,0,0,2,0,0|2,0,0]=4 13651 B13R2.29 O=C1CCCC1OC2CCCC2 74165ea22dfbfdf8bcc49b8268b2777f [0,0,0,2,0,0|2,0,0]=4 13652 B13R2.183 C1CCC(C1)COC2CCCC2 f8408ca1ef8ee16700b07985e08f79c9 [0,0,0,2,0,0|1,0,1]=4 13653 B13R2.183 C1CCC(C1)COC2CCCO2 8e48bd803ca48fc230058e25896393b5 [0,0,0,2,0,0|0,0,2]=4 13654 B13R2.2380 C(COC1CCCC1)CC2CC2 b073ab15b75e4c1246661068a0d9f257 [0,0,0,2,0,0|1,0,1]=4 13655 B13R2.2381 C1CC(C1)CCOC2CCCC2 3bdc91f58be34b60b06855597ef14ab8 [0,0,0,2,0,0|1,0,1]=4 13656 B13R2.2381 C1CC(C1)CCOC2CCCO2 31a011943e1028dafa90330f8d6c763e [0,0,0,2,0,0|0,0,2]=4 13657 B13R2.241 CC1CC(C1)OCC2CCCC2 1e79aa30f83616c41aa475eefd4e3eb1 [0,0,0,2,0,0|1,0,1]=4 13658 B13R2.797 CCCC(=O)N1CC2C1CCC2 d9a3dd65f47a47bbb8874a3a467de8b2 [0,0,0,2,0,0|1,0,0]=3 13659 B13R2.797 CCCC(=O)N1C[C@H]2[C@@H]1CCC2 855d942a40eba2183faab891a710a421 [0,0,0,2,0,0|1,0,0]=3 13660 B13R2.797 COCC(=O)N1CC2C1CCC2 aba17e73a829aee4c9c3f318b9976a80 [0,0,0,2,0,0|2,0,0]=4 13661 B13R2.797 COCC(=O)N1C[C@H]2[C@@H]1CCC2 3dfcae80a451ed5942d42dfd7232e57c [0,0,0,2,0,0|2,0,0]=4 13662 B13R2.797 CSCC(=O)N1CC2C1CCC2 3816c2087e0aca81c20ac1e05a8ce4e0 [0,0,0,2,0,0|2,0,0]=4 13663 B13R2.797 CSCC(=O)N1C[C@H]2[C@@H]1CCC2 0150cbb33bff9b8cd281ab2d1ea74642 [0,0,0,2,0,0|2,0,0]=4 13664 B13R2.797 O=C(CCF)N1CC2C1CCC2 1c180d55bfacd2cae402c63120922894 [0,0,0,2,0,0|2,0,0]=4 13665 B13R2.797 O=C(CCF)N1C[C@H]2[C@@H]1CCC2 933cb41effa0d3784fb91d6d95ddda98 [0,0,0,2,0,0|2,0,0]=4 13666 B13R2.797 O=C(CCO)N1CC2C1CCC2 1210064cda9ceea7d907e84aa8940ad0 [0,0,0,2,0,0|2,0,0]=4 13667 B13R2.797 O=C(CCO)N1C[C@H]2[C@@H]1CCC2 ee3f5d568001b5e0544d8635f6b0c39e [0,0,0,2,0,0|2,0,0]=4 13668 B13R2.797 O=C(CCS)N1CC2C1CCC2 4a76939e412e4de895619f3d523ead7d [0,0,0,2,0,0|2,0,0]=4 13669 B13R2.797 O=C(CCS)N1C[C@H]2[C@@H]1CCC2 7cd3a62284f17bf93a132a211e7f22e4 [0,0,0,2,0,0|2,0,0]=4 13670 B13R2.836 CCCC(C)OCC12CCC1C2 bf1617c128cb5331f1e0c35afe90c687 [0,0,0,2,0,0|1,0,1]=4 13671 B13R2.856 CCCC(=O)N1CC2CC1CO2 307c2ae062760b1d113b4e9342086a46 [0,0,0,2,0,0|2,0,0]=4 13672 B13R2.856 CCCC(=O)N1CC2CCC1C2 c6983d50442d0565590b76cf094a075c [0,0,0,2,0,0|1,0,0]=3 13673 B13R2.856 CCCC(=O)N1C[C@@H]2CC[C@H]1C2 b25016f30e6e2c521d02d2a4e4768cde [0,0,0,2,0,0|1,0,0]=3 13674 B13R2.856 CCCC(=O)N1C[C@@H]2C[C@H]1CO2 6f6fd493c41250b58a014db6356a4a5b [0,0,0,2,0,0|2,0,0]=4 13675 B13R2.856 CCCC(=O)N1C[C@H]2CC[C@@H]1C2 57a65563c0663b58c3d3e9f128211804 [0,0,0,2,0,0|1,0,0]=3 13676 B13R2.856 CCCC(=O)N1C[C@H]2C[C@@H]1CO2 8acf936f0768f95c976e2ac13d1d1f9b [0,0,0,2,0,0|2,0,0]=4 13677 B13R2.856 COCC(=O)N1CC2CCC1C2 9b16cd99ea103b68b547f8413bb62f0b [0,0,0,2,0,0|2,0,0]=4 13678 B13R2.856 COCC(=O)N1C[C@@H]2CC[C@H]1C2 53a3a47552b21843cd8aa8975b2ef338 [0,0,0,2,0,0|2,0,0]=4 13679 B13R2.856 COCC(=O)N1C[C@H]2CC[C@@H]1C2 32b1e160cb2aadaabc0e58b763708ba2 [0,0,0,2,0,0|2,0,0]=4 13680 B13R2.856 CSCC(=O)N1CC2CCC1C2 00671ec5bee645234de95b9fe628c0b7 [0,0,0,2,0,0|2,0,0]=4 13681 B13R2.856 CSCC(=O)N1C[C@@H]2CC[C@H]1C2 49f17c570b095e1630f41689e232d8d9 [0,0,0,2,0,0|2,0,0]=4 13682 B13R2.856 CSCC(=O)N1C[C@H]2CC[C@@H]1C2 6daee6b97f6e0e13a3677fb6b57f9d12 [0,0,0,2,0,0|2,0,0]=4 13683 B13R2.856 O=C(CCF)N1CC2CCC1C2 6199857735e9a61b3f0172ef8ea059c6 [0,0,0,2,0,0|2,0,0]=4 13684 B13R2.856 O=C(CCF)N1C[C@@H]2CC[C@H]1C2 62437484829064b95f7868b470444226 [0,0,0,2,0,0|2,0,0]=4 13685 B13R2.856 O=C(CCF)N1C[C@H]2CC[C@@H]1C2 77079110398275014918204f8beeb3e8 [0,0,0,2,0,0|2,0,0]=4 13686 B13R2.856 O=C(CCO)N1CC2CCC1C2 7ea9009cafa12dc8d6c802aac64f1a74 [0,0,0,2,0,0|2,0,0]=4 13687 B13R2.856 O=C(CCO)N1C[C@@H]2CC[C@H]1C2 c7739cbad75b4d9f90f9c330dea60a7c [0,0,0,2,0,0|2,0,0]=4 13688 B13R2.856 O=C(CCO)N1C[C@H]2CC[C@@H]1C2 235058bbbfa26a3dd867249f9441dc4e [0,0,0,2,0,0|2,0,0]=4 13689 B13R2.856 O=C(CCS)N1CC2CCC1C2 16c935dc172c14b348ab84eeaa0cd31b [0,0,0,2,0,0|2,0,0]=4 13690 B13R2.856 O=C(CCS)N1C[C@@H]2CC[C@H]1C2 87a481f89de8aef43e4940e1999e5917 [0,0,0,2,0,0|2,0,0]=4 13691 B13R2.856 O=C(CCS)N1C[C@H]2CC[C@@H]1C2 60b6d188e68cf79405d03fa56a3da227 [0,0,0,2,0,0|2,0,0]=4 13692 B13R2.6970 CC(OCC1CCCC1)C2CC2 7f93eb0d2ae9db86742f4b642f497bbd [0,0,0,2,0,0|1,0,1]=4 13693 B13R2.6970 C[C@@H](OCC1CCCC1)C2CC2 3d57d6379908cf0874c4cc6eedfb5684 [0,0,0,2,0,0|1,0,1]=4 13694 B13R2.6970 C[C@H](OCC1CCCC1)C2CC2 82df2501e9c5815806935cd54e86ee10 [0,0,0,2,0,0|1,0,1]=4 13695 B13R2.6970 O=C(CNC1CCCC1)C2CC2 e7783b7598d4147b88d9d25131eabd61 [0,0,0,2,0,0|2,0,0]=4 13696 B13R2.6970 O=C(COC1CCCC1)C2CC2 614669ef152ca265d56d4c916890b451 [0,0,0,2,0,0|2,0,0]=4 13697 B13R2.6970 O=C(OCN1CCSC1)C2CC2 3fd3cc9864ec9c1eede7e8eb42693e99 [0,0,0,2,0,0|2,0,0]=4 13698 B13R2.5303 CC1CC(C1)OCCC2CCC2 7e4398fd95bd887db43ba4ca9f54b115 [0,0,0,2,0,0|1,0,1]=4 13699 B13R2.5400 CC1CC(=O)CCC1OC2CC2 f9f6ad9413d8d9df065872e9341b3436 [0,0,0,2,0,0|2,0,0]=4 13700 B13R2.14791 CCCC(=O)N1CCOC2C1C2 9de94ffaa86e5e45f009f94bba9171b6 [0,0,0,2,0,0|2,0,0]=4 13701 B13R2.835 CCCC(=S)OCC1CC12CC2 41b03a3145274965ecb46f5360ef6014 [0,0,0,2,0,0|0,1,0]=3 13702 B13R2.835 CCCC(C)OCC1CC12CC2 08f2428a05391b25a7c4acee2044a3ee [0,0,0,2,0,0|1,0,1]=4 13703 B13R2.835 CCC[C@@H](C)OCC1CC12CC2 dd47d4341166218d57a7a0fc2a89b64f [0,0,0,2,0,0|1,0,1]=4 13704 B13R2.835 CCC[C@H](C)OCC1CC12CC2 8d6b38ec77a0c7b6b276064cc32898ff [0,0,0,2,0,0|1,0,1]=4 13705 B13R2.844 CCCC(=O)N1CCC2CC2C1 035d407688c0c4accdcb46454fe11ac6 [0,0,0,2,0,0|1,0,0]=3 13706 B13R2.844 COCC(=O)N1CCC2CC2C1 b56a2ea334b7fe46cd19c9bfbe03e914 [0,0,0,2,0,0|2,0,0]=4 13707 B13R2.844 CSCC(=O)N1CCC2CC2C1 d5421fb1e07d4766ccf5c0954d75afe7 [0,0,0,2,0,0|2,0,0]=4 13708 B13R2.844 O=C(CCF)N1CCC2CC2C1 339bbc2e1b445020085fce310e093b63 [0,0,0,2,0,0|2,0,0]=4 13709 B13R2.844 O=C(CCO)N1CCC2CC2C1 e3018e81137b6f678b1012be4183c035 [0,0,0,2,0,0|2,0,0]=4 13710 B13R2.844 O=C(CCS)N1CCC2CC2C1 8398809fdc7f87d9e1ba96d81ccd8192 [0,0,0,2,0,0|2,0,0]=4 13711 B13R2.830 CCCC(C)OC1CCC12CC2 b933c164e4e9ee21af57b73bbd5f5c60 [0,0,0,2,0,0|1,0,1]=4 13712 B13R2.2615 CCC1C(=O)NCCN1C2CC2 d2c0b33ba8b8ed43fb844b0c591f8132 [0,0,0,2,0,0|2,0,0]=4 13713 B13R2.3004 CC1CC(=O)OC1OCC2CC2 918f552d19aa871035d7da0fa3f1360c [0,0,0,2,0,0|1,0,0]=3 13714 B13R2.3140 O=C1CCCC1COCC2CC2 fb1f286ad5cb0c3ea3096c37135735f2 [0,0,0,2,0,0|2,0,0]=4 13715 B13R2.3140 O=C1CCCC1OCCC2CC2 0ad59a1dc0b7615b5aeed805f9cf2b44 [0,0,0,2,0,0|2,0,0]=4 13716 B13R2.3140 O=C1CCCN1CCNC2CC2 13fc11df3f4ed986c1009a1f6c1b4927 [0,0,0,2,0,0|2,0,0]=4 13717 B13R2.3140 O=C1CCCN1CCOC2CC2 6661a01b79473ef9201aa2db25b90396 [0,0,0,2,0,0|2,0,0]=4 13718 B13R2.3140 O=C1CCCN1CNCC2CC2 b4f42af87c1ed51ed07a24ce24092761 [0,0,0,2,0,0|2,0,0]=4 13719 B13R2.3140 O=C1CCCN1COCC2CC2 1e2fc514295271fe42308ec56057a35a [0,0,0,2,0,0|2,0,0]=4 13720 B13R2.9370 CC(OCCCC1CC1)C2CC2 7f3f09762bd892212330b7856bea204b [0,0,0,2,0,0|1,0,1]=4 13721 B13R2.9370 O=C(CNCCC1CC1)C2CC2 c86ba9fc7a0210995325ea8b9084f2b5 [0,0,0,2,0,0|2,0,0]=4 13722 B13R2.9370 O=C(COCCC1CC1)C2CC2 2fe90a9f8f36baa83a49d25b34b99742 [0,0,0,2,0,0|2,0,0]=4 13723 B13R2.9370 O=C(OCNCC1CC1)C2CC2 483694ba0f13ab57da4519cc04b162dc [0,0,0,2,0,0|1,0,0]=3 13724 B13R2.9370 O=C(OCOCC1CC1)C2CC2 83f7ca73d1e2a4415160d7e1bb5ff673 [0,0,0,2,0,0|1,0,0]=3 13725 B13R2.10290 CC1CC(=O)NCCN1C2CC2 7aea2bce333e0403d03484645b5eefb1 [0,0,0,2,0,0|2,0,0]=4 13726 B13R2.11178 O=C1CCCC(CN1)OC2CC2 ccb030429c21293ef32875479008c799 [0,0,0,2,0,0|2,0,0]=4 13727 B13R2.11178 O=C1CCCN(CC1)CC2CC2 de1d5f76b8b65075ed2597dc633adbd2 [0,0,0,2,0,0|2,0,0]=4 13728 B13R2.360 C[C@@H]1CC[C@@H]1NC2CCCC2=O 7e21e0ab940e222bdef535b0c53d040b [0,0,0,2,0,0|2,0,0]=4 13729 B13R2.360 C[C@@H]1CC[C@H]1NC2CCCC2=O 4e60ec1786c32bc34d1c4abe42235082 [0,0,0,2,0,0|2,0,0]=4 13730 B13R2.850 CCCC(=O)N1CC2CCC2C1 984613888e5973b350b28ecc30a199b2 [0,0,0,2,0,0|1,0,0]=3 13731 B13R2.850 COCC(=O)N1CC2CCC2C1 ec0aa1703805b7f8ab7f7961a4bb63c0 [0,0,0,2,0,0|2,0,0]=4 13732 B13R2.850 CSCC(=O)N1CC2CCC2C1 7144bbb2de9a53f6bae217d2583fb74e [0,0,0,2,0,0|2,0,0]=4 13733 B13R2.850 O=C(CCF)N1CC2CCC2C1 d5cc1fa06977601ab523a1a9d7890c31 [0,0,0,2,0,0|2,0,0]=4 13734 B13R2.850 O=C(CCO)N1CC2CCC2C1 6450fc18ec62830c2b5bb98432586828 [0,0,0,2,0,0|2,0,0]=4 13735 B13R2.850 O=C(CCS)N1CC2CCC2C1 c79c9dae9ba0b17bf162124a21e88562 [0,0,0,2,0,0|2,0,0]=4 13736 B13R2.5373 C[C@@H]1CC[C@@H]1NCC(=O)C2CC2 9b46ef5417e8c2e32163915df304e636 [0,0,0,2,0,0|2,0,0]=4 13737 B13R2.5373 C[C@@H]1CC[C@H]1NCC(=O)C2CC2 a653f6e0540ee59f6d579215b1902a86 [0,0,0,2,0,0|2,0,0]=4 13738 B13R2.692 CC(OCCC1CCC1)C2CC2 b82593ab08a247593f58a56a71cd7a33 [0,0,0,2,0,0|1,0,1]=4 13739 B13R2.692 C[C@@H](OCCC1CCC1)C2CC2 51f8c650b3696c04beb99a0958be6076 [0,0,0,2,0,0|1,0,1]=4 13740 B13R2.692 C[C@H](OCCC1CCC1)C2CC2 53432a5b8e909ed5f170be6c8d18d64d [0,0,0,2,0,0|1,0,1]=4 13741 B13R2.692 O=C(CNCC1CCC1)C2CC2 1d73af3f5be15523f5e83608eef78686 [0,0,0,2,0,0|2,0,0]=4 13742 B13R2.692 O=C(COCC1CCC1)C2CC2 b69e97f1249560ba194dbf89eb4536ec [0,0,0,2,0,0|2,0,0]=4 13743 B13R2.692 O=C(OCNC1CCC1)C2CC2 317d354db05b9fc764e59667d2d6394f [0,0,0,2,0,0|1,0,0]=3 13744 B13R2.692 O=C(OCNC1COC1)C2CC2 edc1f3e97a01d6b49d3c164d37ca54b6 [0,0,0,2,0,0|2,0,0]=4 13745 B13R2.692 O=C(OCOC1CCC1)C2CC2 a8a340ef8d0f19d158e66902c1c99568 [0,0,0,2,0,0|1,0,0]=3 13746 B13R2.692 O=C(OCOC1COC1)C2CC2 493a26991c0c1d41e800f9387cd1deab [0,0,0,2,0,0|2,0,0]=4 13747 B13R2.692 O=C(OCOC1CSC1)C2CC2 cc75a84524b856964b35bf70a0b2d891 [0,0,0,2,0,0|2,0,0]=4 13748 B13R2.875 CCCC(=O)CN1CC2CC1C2 2af57b6fec1eb992b4ad24a22fb8bd8a [0,0,0,2,0,0|2,0,0]=4 13749 B13R2.3012 CC1CC(=O)OC1OC2COC2 1801a6309b23b6cb58e57997bf147895 [0,0,0,2,0,0|2,0,0]=4 13750 B13R2.3152 O=C1CCCC1COC2CCC2 ec3ce5a0defe21c4f5b965f89160200d [0,0,0,2,0,0|2,0,0]=4 13751 B13R2.3152 O=C1CCCC1NCC2CCC2 47690df9b4125cabe20745923f1e53a1 [0,0,0,2,0,0|2,0,0]=4 13752 B13R2.3152 O=C1CCCC1OCC2CCC2 d80adb3e30d74330dd4521d8aa9fc427 [0,0,0,2,0,0|2,0,0]=4 13753 B13R2.3152 O=C1CCCN1CCN2CCC2 94c014cab6336389d7c5b44df1850a7b [0,0,0,2,0,0|2,0,0]=4 13754 B13R2.3152 O=C1CCCN1CNC2CCC2 0ac1006957a7fe3d6cceeedfca3608eb [0,0,0,2,0,0|2,0,0]=4 13755 B13R2.3152 O=C1CCCN1COC2CCC2 4a823966e5226e9a6f1cf2d478de19e6 [0,0,0,2,0,0|2,0,0]=4 13756 B13R2.14892 CCCC(=S)OC1CC12CCC2 ec6bcba481a1def8c5feb92862551f2c [0,0,0,2,0,0|0,1,0]=3 13757 B13R2.14892 CCCC(C)OC1CC12CCC2 9fc46161289e342157f5cc2bc2e4a716 [0,0,0,2,0,0|1,0,1]=4 13758 B13R2.14892 CCC[C@@H](C)OC1CC12CCC2 d658b51f53e7b0618a1ec71b8a3df7c4 [0,0,0,2,0,0|1,0,1]=4 13759 B13R2.14892 CCC[C@H](C)OC1CC12CCC2 25dd25cee1b0c5a5ea61d94837708e8f [0,0,0,2,0,0|1,0,1]=4 13760 B13R2.3139 CC(O[C@@H]1CCC[C@@H]1C)C2CC2 6ee6bdd4289c6193921af44935d516d1 [0,0,0,2,0,0|1,0,1]=4 13761 B13R2.3139 CC(O[C@@H]1CCC[C@H]1C)C2CC2 fea21d78e085a92f543ae51a2ecfca09 [0,0,0,2,0,0|1,0,1]=4 13762 B13R2.3139 CC(O[C@H]1CCC[C@@H]1C)C2CC2 51900427be036bebaf18f6ff6ab270dd [0,0,0,2,0,0|1,0,1]=4 13763 B13R2.3139 CC(O[C@H]1CCC[C@H]1C)C2CC2 b3bb7e545a4645b148493e677e6a96fe [0,0,0,2,0,0|1,0,1]=4 13764 B13R2.3139 CC1CCCC1OC(C)C2CC2 98c2dcf730eee2c61528f896425b7b98 [0,0,0,2,0,0|1,0,1]=4 13765 B13R2.3139 CC1CCCN1CC(=O)C2CC2 e2d7084c76e843ef0bc64a5a957175b3 [0,0,0,2,0,0|2,0,0]=4 13766 B13R2.3139 C[C@@H]1CCCN1CC(=O)C2CC2 cc4cbf6c62be9f27cbb363572969bd7c [0,0,0,2,0,0|2,0,0]=4 13767 B13R2.3139 C[C@H]1CCCN1CC(=O)C2CC2 ab97960e22a8aad12d0d0c6980cdeeb3 [0,0,0,2,0,0|2,0,0]=4 13768 B13R2.653 CCC1CCN1C2CCCC2=O 2ff4d592a33c8a6f7fcbbd98ed5102b8 [0,0,0,2,0,0|2,0,0]=4 13769 B13R2.2057 CCC1CCN1CC(=O)C2CC2 0570c2b7899e5213473301e91688331a [0,0,0,2,0,0|2,0,0]=4 13770 B13R2.1003 CCCNC1CNC(=O)C12CC2 6f775c1fb2943c90b473a6d0d23e4dd1 [0,0,0,2,0,0|2,0,0]=4 13771 B13R2.1003 CCCN[C@H]1CNC(=O)C12CC2 ab9d7b211b7bf4e0d8ea5e745d0d365c [0,0,0,2,0,0|2,0,0]=4 13772 B13R2.2130 CCN1CCC2C(=O)NCC2C1 d16dc4abc39d5c5a7a0cff3fa678e1f8 [0,0,0,2,0,0|2,0,0]=4 13773 B13R2.4045 CCCN1C2CCC1C(=O)NC2 d28339180a26bb7d8ae11b92c5a05ffd [0,0,0,2,0,0|2,0,0]=4 13774 B13R2.4045 CCCN1C2CC[C@H]1C(=O)NC2 0f5d98198d86f6e55414f8a6691e4fed [0,0,0,2,0,0|2,0,0]=4 13775 B13R2.4045 CCCN1[C@H]2CC[C@@H]1C(=O)NC2 ced08b90c6ddd6d6bc453af08fa129d9 [0,0,0,2,0,0|2,0,0]=4 13776 B13R2.179 CC1CC1COC2CCCC2=O 74f2965a755af79b30105853ec1215e6 [0,0,0,2,0,0|2,0,0]=4 13777 B13R2.179 CC1CC1NCN2CCCC2=O 5fb7e01fd82fbbadf36b68aea128339b [0,0,0,2,0,0|2,0,0]=4 13778 B13R2.179 C[C@@H]1C[C@H]1COC2CCCC2=O 204b8a67a61129a2ca4b62157ae7f492 [0,0,0,2,0,0|2,0,0]=4 13779 B13R2.179 C[C@H]1C[C@@H]1COC2CCCC2=O ad90df1d570aae29450433b8c2679287 [0,0,0,2,0,0|2,0,0]=4 13780 B13R2.179 C[C@H]1C[C@H]1COC2CCCC2=O 5bab64df4fef56ef3acfc4e250e74729 [0,0,0,2,0,0|2,0,0]=4 13781 B13R2.9 CCN1CCC2C1CCNC2=O c0415ebd009b8ee17232f1fe7d5686e7 [0,0,0,2,0,0|2,0,0]=4 13782 B13R2.8049 CCCN1CCNC(=O)C12CC2 2dd5ad1d37cd2e9faa471da27e5c92d5 [0,0,0,2,0,0|2,0,0]=4 13783 B13R2.8049 CCCN1CCOC(=O)C12CC2 1d935418ca7afe0b1e5a6a91c2f227ba [0,0,0,2,0,0|1,0,0]=3 13784 B13R2.8049 COCN1CCOC(=O)C12CC2 c83a9fe06d67a248426f0169862a1ab9 [0,0,0,2,0,0|2,0,0]=4 13785 B13R2.8049 CSCN1CCOC(=O)C12CC2 8bd5f4cd893aa86f46f77b421b0360b8 [0,0,0,2,0,0|2,0,0]=4 13786 B13R2.8049 O=C1OCCN(C12CC2)CCF aa3bbe57dc70868073c765c3221ae9b3 [0,0,0,2,0,0|2,0,0]=4 13787 B13R2.8049 O=C1OCCN(C12CC2)CCO d75f9a83d4a17697343e0921f343d939 [0,0,0,2,0,0|2,0,0]=4 13788 B13R2.8049 O=C1OCCN(C12CC2)CCS 28383b279cb24eab2fd44b976518ac87 [0,0,0,2,0,0|2,0,0]=4 13789 B13R2.3402 CC1CC1COCC(=O)C2CC2 fdddc7409431f44e03529bea1174f39c [0,0,0,2,0,0|2,0,0]=4 13790 B13R2.3402 CC1CC1NCOC(=O)C2CC2 27ee99aadd7476cc7cd26ad7932dc1a6 [0,0,0,2,0,0|1,0,0]=3 13791 B13R2.3402 C[C@@H]1C[C@H]1COCC(=O)C2CC2 7b7ec888ce0b4ddec55f4b847b6ed33c [0,0,0,2,0,0|2,0,0]=4 13792 B13R2.3402 C[C@H]1C[C@@H]1COCC(=O)C2CC2 587ec37841dee92e3268dd6bb5af1ab6 [0,0,0,2,0,0|2,0,0]=4 13793 B13R2.3402 C[C@H]1C[C@H]1COCC(=O)C2CC2 58f38d389a472cb1f301e97925afbd44 [0,0,0,2,0,0|2,0,0]=4 13794 B13R2.3402 O=C(OCN[C@@H]1C[C@H]1F)C2CC2 41618854a3e05fe8b108feedcdd2cdd6 [0,0,0,2,0,0|2,0,0]=4 13795 B13R2.3402 O=C(OCN[C@H]1C[C@@H]1F)C2CC2 3779a0f0260ed2a7c995804f2a697344 [0,0,0,2,0,0|2,0,0]=4 13796 B13R2.3402 O=C(OCN[C@H]1C[C@H]1F)C2CC2 043f460bba835d776425ad913546d0bf [0,0,0,2,0,0|2,0,0]=4