smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features O=C(O[C@@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)c1cc(O)c(O)c(O)c1 257423746 GDVRUDXLQBVIKP-SHUZRBGRSA-N 332.261 -2.240 10 10 EACE endogenous,in-man COc1ccc(-n2nnnc2CNC[C@H](C)NC(=O)C(N)=O)cc1 1498102129 WWHGFJIHLDGXND-VIFPVBQESA-N 333.352 -1.250 10 10 EACE O=C(O[C@@H]1C[C@](O)(C(=O)O)C[C@H](O)[C@@H]1O)c1cc(O)c(O)c(O)c1 6505219 LDPLFHGGZNSKDS-VKZHRDFRSA-N 344.272 -1.340 10 10 EACE endogenous,in-man CN(C[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO)C(=O)Cc1ccc(N)cc1 1866324217 OVRDBTHLCGHHII-JURCDPSOSA-N 328.365 -2.294 10 10 EACE [N-]=[N+]=NCCOCCOCCO[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@H]1O 242390151 ABBZTEUICIJBPU-IYKVGLELSA-N 337.329 -1.854 10 10 EACE COc1ccc(CNC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)c(O)c1 1617762727 LUDVIUCJKZPMMZ-JTQLQIEISA-N 328.346 -1.070 10 10 EACE O=C(O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@@H]1O)c1cc(O)c(O)c(O)c1 1848439247 GDVRUDXLQBVIKP-RZLJONMWSA-N 332.261 -2.240 10 10 EACE CC(=O)N[C@H]([C@@H](O)CC(=O)C(=O)O)[C@@H](O)[C@H](O)[C@H](O)CN=[N+]=[N-] 31543024 RCMJNJVGOFCOSP-BOHATCBPSA-N 334.285 -2.711 10 10 EACE O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O 38822221 JVVFTHAOTNXPOZ-VHCZEJTMSA-N 342.300 -1.546 10 10 EACE biogenic,in-vitro COc1ccc(-n2nnnc2CNC/C=C\CNC(=O)C(N)=O)cc1 1715857344 CXUOLZQVQLDZQQ-IHWYPQMZSA-N 345.363 -1.082 10 10 EACE CN1C(=O)N=C(O)/C(=C\N[C@H]2[C@H](O)[C@@H](O)[C@@H](CO)O[C@H]2O)C1=O 254874958 ULCSTDVDCYZFDI-LCIYQKCQSA-N 331.281 -3.192 10 10 EACE [N-]=[N+]=NCCCC[C@H](NC(=O)CNC(=O)CNC(=O)CN)C(=O)O 575408885 OTAJJAGRBJWUDS-QMMMGPOBSA-N 343.344 -1.773 10 10 EACE O=C(O[C@@H]1[C@@H](O)C[C@](O)(C(=O)O)C[C@H]1O)c1cc(O)c(O)c(O)c1 257502032 OGYBSNRRBNHPNK-PPFXZROOSA-N 344.272 -1.340 10 10 EACE biogenic On1nnnc1-c1nonc1/N=N/c1nonc1-c1nnnn1O 2295355865 UCKWOZRPKYZFST-BQYQJAHWSA-N 334.176 -1.350 10 10 EACE Nc1nonc1N=NN(CC(=O)N1CCOCC1)c1nonc1N 252641327 ZBWPNZCMAJGULQ-UHFFFAOYSA-N 338.288 -1.019 10 10 EACE NCC(=O)NCC(=O)NCC(=O)NCC(=O)Nc1ccc(N)cc1 1866111235 YZNGLVOYVADXEO-UHFFFAOYSA-N 336.352 -2.485 10 10 EACE COCCN1C(=O)C(=CNN2CC(=O)NC2=O)C(=O)NC1=S 2040481179 KHECGDZGOHVZFL-UHFFFAOYSA-N 327.322 -2.184 10 10 EACE O=C(O[C@@H]1C[C@](O)(C(=O)O)C[C@H](O)[C@H]1O)c1cc(O)c(O)c(O)c1 14684782 LDPLFHGGZNSKDS-SAOAKYDJSA-N 344.272 -1.340 10 10 EACE endogenous,in-man Nc1ccc(CC(=O)N(CC(=O)O)[C@@H]2CS(=O)(=O)C[C@H]2O)cc1 1866324101 FLVSYETYFPRWMZ-VXGBXAGGSA-N 342.373 -1.118 10 10 EACE O=C(O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@@H]1O)c1cc(O)c(O)c(O)c1 257471244 LDPLFHGGZNSKDS-AQWVNGNSSA-N 344.272 -1.340 10 10 EACE endogenous,in-man [N-]=[N+]=NCCOCCOCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]1O 607695008 ABBZTEUICIJBPU-LZQZFOIKSA-N 337.329 -1.854 10 10 EACE COc1ccc(-n2nnnc2CN[C@H](C)CNC(=O)C(N)=O)cc1 1480526112 BPJKGUWZNFQCBD-SECBINFHSA-N 333.352 -1.250 10 10 EACE CN1C(=O)NC(=O)C(=CN[C@@H]2[C@H](O)O[C@H](CO)[C@H](O)[C@@H]2O)C1=O 2297470841 ULCSTDVDCYZFDI-TXEDPVRZSA-N 331.281 -4.032 10 10 EACE NC(=O)CC[C@H](NC(=O)c1nnn(-c2ccc(N)cc2)n1)C(=O)O 1857879199 YPBNNEJHAUPWOY-VIFPVBQESA-N 333.308 -1.307 10 10 EACE O=C(N[C@@H]1[C@@H](O)O[C@H](CO)[C@H](O)[C@@H]1O)c1cc(O)c(O)c(O)c1 1865875658 FGSNYLAEMNBNKQ-NEMYEFBKSA-N 331.277 -2.667 10 10 EACE CN1C(=O)NC(=O)C(=CN[C@@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)C1=O 2297470840 ULCSTDVDCYZFDI-ONFVWQTASA-N 331.281 -4.032 10 10 EACE COc1ccc(-n2nnnc2CN(C)CCNC(=O)C(N)=O)cc1 1714559599 JRYBAUGMNFLPOJ-UHFFFAOYSA-N 333.352 -1.296 10 10 EACE CN(C[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)C(=O)c1cc(O)c(O)c(O)c1 1866303088 KWCOLCNRCLEVGZ-JULQROHOSA-N 347.320 -2.689 10 10 EACE CN1C(=O)N=C(O)/C(=C\N[C@@H]2[C@H](O)O[C@H](CO)[C@H](O)[C@@H]2O)C1=O 254874960 ULCSTDVDCYZFDI-NSMJDHMESA-N 331.281 -3.192 10 10 EACE CN(C[C@H](O)[C@H](O)[C@@H](O)[C@H](O)CO)C(=O)Cc1ccc(N)cc1 1866324219 OVRDBTHLCGHHII-NEBZKDRISA-N 328.365 -2.294 10 10 EACE CC(=O)C(=O)COC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 808543269 DIRRTYHEDLDOLB-GFCCVEGCSA-N 326.349 -1.132 10 10 EACE COc1ccc(-n2nnnc2CNC[C@@H](C)NC(=O)C(N)=O)cc1 1569015700 WWHGFJIHLDGXND-SECBINFHSA-N 333.352 -1.250 10 10 EACE CN1C(=O)NC(=O)C(=CN[C@H]2[C@H](O)[C@H](O)[C@@H](CO)O[C@H]2O)C1=O 2297470839 ULCSTDVDCYZFDI-BHXYIJGRSA-N 331.281 -4.032 10 10 EACE O=C(/C=C/c1ccc(O)c(O)c1)OC[C@@H]1O[C@H](O)[C@@H](O)[C@H](O)[C@H]1O 257459185 JVVFTHAOTNXPOZ-CYQSQEJWSA-N 342.300 -1.546 10 10 EACE COc1ccc(-n2nnnc2CNC/C=C/CNC(=O)C(N)=O)cc1 1715857350 CXUOLZQVQLDZQQ-NSCUHMNNSA-N 345.363 -1.082 10 10 EACE COC(=O)C1=C[C@@H](N=[N+]=[N-])[C@H](NC(C)=O)[C@@H]([C@@H](O)[C@@H](O)CO)O1 1085195487 MMLUEZXBKJUPII-GAOFYXTMSA-N 330.297 -1.660 10 10 EACE O=C(O[C@H]1C[C@@](O)(C(=O)O)C[C@H](O)[C@@H]1O)c1cc(O)c(O)c(O)c1 1531969 LDPLFHGGZNSKDS-FIRSBJHFSA-N 344.272 -1.340 10 10 EACE in-man CN(C)c1ccc(CNC(=O)CN2C[C@@H](C(N)=O)[C@H](C(N)=O)C2)cc1 1307928169 GKNNWWGTZWRCGL-ZIAGYGMSSA-N 347.419 -1.113 10 10 EACE COc1ccc(-n2nnnc2CN[C@@H](C)CNC(=O)C(N)=O)cc1 1480526125 BPJKGUWZNFQCBD-VIFPVBQESA-N 333.352 -1.250 10 10 EACE CC(=O)C(=O)COC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 808543271 DIRRTYHEDLDOLB-LBPRGKRZSA-N 326.349 -1.132 10 10 EACE O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C\NC(CO)(CO)CO 101144512 DDILESBJYNMTPU-WDZFZDKYSA-N 335.316 -1.541 10 10 EACE CN1C(=O)NC(=O)/C(=C\N[C@@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)C1=O 504693509 ULCSTDVDCYZFDI-ASGMXNHHSA-N 331.281 -4.032 10 10 EACE [N-]=[N+]=NCCOCCOCCO[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 242390150 ABBZTEUICIJBPU-CSYMLDBXSA-N 337.329 -1.854 10 10 EACE COC(=O)C1=C[C@H](N=[N+]=[N-])[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O1 34646233 MMLUEZXBKJUPII-CNYIRLTGSA-N 330.297 -1.660 10 10 EACE CS(=O)(=O)CS(=O)(=O)N(CC(N)=O)Cc1ccc(N)cc1 129939024 JLPACOPWCCMTCP-UHFFFAOYSA-N 335.407 -1.112 10 10 EACE COc1ccc(-n2nnnc2CNC2(CNC(=O)C(N)=O)CC2)cc1 1269480428 KNEDYJRNUWSKCQ-UHFFFAOYSA-N 345.363 -1.105 10 10 EACE Nc1ccc(CC(=O)N(CC(=O)O)[C@@H]2CS(=O)(=O)C[C@@H]2O)cc1 1866324096 FLVSYETYFPRWMZ-NEPJUHHUSA-N 342.373 -1.118 10 10 EACE COc1ccc(-n2nnnc2CNCCN(C)C(=O)C(N)=O)cc1 1567554136 OIOGPWBOVQAUDT-UHFFFAOYSA-N 333.352 -1.296 10 10 EACE [N-]=[N+]=NCCOCCOCCO[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 1857777794 ABBZTEUICIJBPU-LVEVGFFFSA-N 337.329 -1.854 10 10 EACE Nc1ccc(CS(=O)(=O)N2CCN(S(N)(=O)=O)CC2)cc1 40348076 HQLRDWVJNQTWIB-UHFFFAOYSA-N 334.423 -1.080 10 10 EACE [N-]=[N+]=NCC(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)O 575408951 XWRYJIBFEWSVLI-UHFFFAOYSA-N 329.273 -3.154 10 10 EACE CN(C[C@H](O)[C@H](O)[C@H](O)[C@@H](O)CO)C(=O)Cc1ccc(N)cc1 1866324220 OVRDBTHLCGHHII-NZBPQXDJSA-N 328.365 -2.294 10 10 EACE CN1C(=O)NC(=O)/C(=C\N[C@H]2[C@H](O)[C@H](O)[C@@H](CO)O[C@H]2O)C1=O 504693510 ULCSTDVDCYZFDI-DLBYOWDDSA-N 331.281 -4.032 10 10 EACE Nc1ccc(CC(=O)N(CC(=O)O)[C@H]2CS(=O)(=O)C[C@@H]2O)cc1 1866324100 FLVSYETYFPRWMZ-RYUDHWBXSA-N 342.373 -1.118 10 10 EACE O=C(C(=O)C(=O)N1CC[C@@H](c2cccnc2)C1)C(=O)N1CCNCC1 843057437 DKFVRMYAQJRTCC-CYBMUJFWSA-N 344.371 -1.033 10 10 EACE Cc1ccc(N2C(=O)NC(=O)/C(=C/NC(CO)(CO)CO)C2=O)cc1 101110743 WMKQCGJZACXPHH-SDQBBNPISA-N 349.343 -1.233 10 10 EACE O=C1CS(=O)(=O)C[C@@H](C(=O)NCCc2ccc(O)c(O)c2)N1 1137464690 LFYIFNXDQANWID-VIFPVBQESA-N 328.346 -1.330 10 10 EACE NC(=O)CC[C@@H](NC(=O)c1nnn(-c2ccc(N)cc2)n1)C(=O)O 1857879198 YPBNNEJHAUPWOY-SECBINFHSA-N 333.308 -1.307 10 10 EACE CCCCN1C(=O)NC(=O)C(=CNCC(=O)NCC(=O)O)C1=O 2296936343 NMWAAIWCXQNSQM-UHFFFAOYSA-N 326.309 -1.461 10 10 EACE [N-]=[N+]=NCCOCCOCCO[C@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O 607695007 ABBZTEUICIJBPU-JCIQBVFBSA-N 337.329 -1.854 10 10 EACE COC(=O)C1=C[C@H](N=[N+]=[N-])[C@H](NC(C)=O)[C@@H]([C@H](O)[C@@H](O)CO)O1 96031167 MMLUEZXBKJUPII-PBYRXYTMSA-N 330.297 -1.660 10 10 EACE O=C(C(=O)C(=O)N1CC[C@H](c2cccnc2)C1)C(=O)N1CCNCC1 843057440 DKFVRMYAQJRTCC-ZDUSSCGKSA-N 344.371 -1.033 10 10 EACE CN(C[C@H](O)[C@H](O)[C@@H](O)[C@H](O)CO)C(=O)c1cc(O)c(O)c(O)c1 1866303089 KWCOLCNRCLEVGZ-LFSVMHDDSA-N 347.320 -2.689 10 10 EACE COc1cccc(CNC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)c1O 1137473317 FTAWOUJXXHPFAD-VIFPVBQESA-N 328.346 -1.070 10 10 EACE COc1ccc(-n2nnnc2CN2CC(NC(=O)CC(N)=O)C2)cc1 1714932837 TWOBCPWVAXMQBK-UHFFFAOYSA-N 345.363 -1.153 10 10 EACE CN(C[C@H](O)[C@H](O)[C@H](O)[C@@H](O)CO)C(=O)c1cc(O)c(O)c(O)c1 1866303091 KWCOLCNRCLEVGZ-XRRVDJEJSA-N 347.320 -2.689 10 10 EACE O=C(O[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)c1cc(O)c(O)c(O)c1 1848439246 GDVRUDXLQBVIKP-NTZKMGDGSA-N 332.261 -2.240 10 10 EACE O=C(N[C@@H]1[C@H](O)O[C@H](CO)[C@H](O)[C@@H]1O)c1cc(O)c(O)c(O)c1 1865875659 FGSNYLAEMNBNKQ-ZUZLSWQXSA-N 331.277 -2.667 10 10 EACE Nc1ccc(CC(=O)N(CC(=O)O)[C@H]2CS(=O)(=O)C[C@H]2O)cc1 1866324098 FLVSYETYFPRWMZ-NWDGAFQWSA-N 342.373 -1.118 10 10 EACE CC(=O)c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(O)c1O 223329352 IYOWHSWFFIPSDK-LNNRFACYSA-N 330.289 -1.521 10 10 EACE O=C(O[C@@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]1O)c1cc(O)c(O)c(O)c1 95486351 GDVRUDXLQBVIKP-SDAAFIMUSA-N 332.261 -2.240 10 10 EACE biogenic,in-vitro CN(CCN)C(=O)C(=O)C(=O)C(=O)N1CC[C@@H](c2cccnc2)C1 1261482175 CSEFNVHHUHVERD-GFCCVEGCSA-N 332.360 -1.047 10 10 EACE O=C(O[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1O)c1cc(O)c(O)c(O)c1 100792120 OGYBSNRRBNHPNK-FTBFGRRBSA-N 344.272 -1.340 10 10 EACE O=C(O[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@H]1O)c1cc(O)c(O)c(O)c1 1848439245 GDVRUDXLQBVIKP-IYTULZNGSA-N 332.261 -2.240 10 10 EACE [N-]=[N+]=NCCOCCOCCOCCNC(=O)CNC(=O)CN 2037697979 HQZFKGIGERMOBF-UHFFFAOYSA-N 332.361 -1.462 10 10 EACE O=C(O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)c1cc(O)c(O)c(O)c1 238773563 GDVRUDXLQBVIKP-YUGVXFKWSA-N 332.261 -2.240 10 10 EACE endogenous,in-man CC(=O)N[C@H]([C@H](O)CC(=O)C(=O)O)[C@@H](O)[C@H](O)[C@H](O)CN=[N+]=[N-] 2080618535 RCMJNJVGOFCOSP-QXOHVQIXSA-N 334.285 -2.711 10 10 EACE CN1C(=O)NC(=O)C(=CN[C@H]2[C@H](O)[C@@H](O)[C@@H](CO)O[C@H]2O)C1=O 2297470842 ULCSTDVDCYZFDI-VUAIOILSSA-N 331.281 -4.032 10 10 EACE O=C(Cc1ccc(O)c(O)c1)N1CCN(C(=O)Cn2cnnn2)CC1 1136617272 UCPWQZWWUWWEDM-UHFFFAOYSA-N 346.347 -1.002 10 10 EACE O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O 4098724 WQSDYZZEIBAPIN-VBQORRLJSA-N 342.300 -1.546 10 10 EACE biogenic,in-vitro COc1ccc(-n2nnnc2CNC[C@H](C)CNC(=O)C(N)=O)cc1 1714428791 WFPZOXBRSFYXAF-JTQLQIEISA-N 347.379 -1.002 10 10 EACE CN(C)c1ccc(CNC(=O)CN2CCN(CC(N)=O)C(=O)C2)cc1 839183287 WVQWRQCFIPFXFS-UHFFFAOYSA-N 347.419 -1.002 10 10 EACE COCC(=O)NC[C@@H](CO)NC(=O)c1cc(OC)nc(OC)c1 1680188145 QGAVPTPNXAHTIY-JTQLQIEISA-N 327.337 -1.048 10 10 EACE COc1ccc(-n2nnnc2CN2CC(CNC(=O)C(N)=O)C2)cc1 1567840641 ZRHNHXYGHAMHKI-UHFFFAOYSA-N 345.363 -1.296 10 10 EACE [N-]=[N+]=NCCCC[C@@H](NC(=O)CNC(=O)CNC(=O)CN)C(=O)O 1615526454 OTAJJAGRBJWUDS-MRVPVSSYSA-N 343.344 -1.773 10 10 EACE O=C(N[C@@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O)c1cc(O)c(O)c(O)c1 1865875656 FGSNYLAEMNBNKQ-BCGUSZKQSA-N 331.277 -2.667 10 10 EACE CN(C[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO)C(=O)c1cc(O)c(O)c(O)c1 1866303090 KWCOLCNRCLEVGZ-UKJIMTQDSA-N 347.320 -2.689 10 10 EACE O=C(/C=C/c1ccc(O)c(O)c1)OC[C@@H]1O[C@@H](O)[C@@H](O)[C@H](O)[C@H]1O 257459186 JVVFTHAOTNXPOZ-SKTDOXOGSA-N 342.300 -1.546 10 10 EACE O=C1NC(=O)N(Cc2ccccc2)C(=O)C1=CNC(CO)(CO)CO 2296580445 SWBNNASHQGCTBC-UHFFFAOYSA-N 349.343 -1.546 10 10 EACE O=C(O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)c1cc(O)c(O)c(O)c1 82032203 GDVRUDXLQBVIKP-QHKDRZEJSA-N 332.261 -2.240 10 10 EACE biogenic,in-vitro CN(CCN)C(=O)C(=O)C(=O)C(=O)N1CC[C@H](c2cccnc2)C1 1261482176 CSEFNVHHUHVERD-LBPRGKRZSA-N 332.360 -1.047 10 10 EACE CN1C(=O)NC(=O)C(=CN[C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)C1=O 2297475357 ULCSTDVDCYZFDI-UYEZSENVSA-N 331.281 -4.032 10 10 EACE CN(C)c1ccc(CNC(=O)CN2C[C@H](C(N)=O)[C@@H](C(N)=O)C2)cc1 1307928161 GKNNWWGTZWRCGL-KBPBESRZSA-N 347.419 -1.113 10 10 EACE [N-]=[N+]=NCCOCCOCCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O 34495210 ABBZTEUICIJBPU-GCHJQGSQSA-N 337.329 -1.854 10 10 EACE O=C(OC1[C@@H](O)CC(O)(C(=O)O)C[C@@H]1O)c1cc(O)c(O)c(O)c1 14684787 OGYBSNRRBNHPNK-IGKIDEFOSA-N 344.272 -1.340 10 10 EACE biogenic O=C(N[C@@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O)c1cc(O)c(O)c(O)c1 1865875657 FGSNYLAEMNBNKQ-FXQRJEMGSA-N 331.277 -2.667 10 10 EACE O=C(OC1[C@H](O)CC(O)(C(=O)O)C[C@H]1O)c1cc(O)c(O)c(O)c1 6524388 OGYBSNRRBNHPNK-LPSXRXAPSA-N 344.272 -1.340 10 10 EACE biogenic,in-vitro CN1C(=O)C(=CC=C[c-]2c(=O)n(C)c(=O)n(C)c2=O)C(=O)N(C)C1=O 2297612619 VCGBVYZFGISYKK-UHFFFAOYSA-N 347.307 -1.847 10 10 EACE COCC(=O)NC[C@H](CO)NC(=O)c1cc(OC)nc(OC)c1 1680188157 QGAVPTPNXAHTIY-SNVBAGLBSA-N 327.337 -1.048 10 10 EACE COC(=O)C1=C[C@@H](N=[N+]=[N-])[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O1 77320128 MMLUEZXBKJUPII-JBSYKWBFSA-N 330.297 -1.660 10 10 EACE in-vitro CC(=O)c1c(O)cc(O)c(O)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O 5167506 ZLGYDHODHCRHMW-WHFNTLTKSA-N 346.288 -1.815 10 10 EACE CN(C[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)C(=O)Cc1ccc(N)cc1 1866324218 OVRDBTHLCGHHII-MYZSUADSSA-N 328.365 -2.294 10 10 EACE COc1ccc(-n2nnnc2CNC[C@@H](C)CNC(=O)C(N)=O)cc1 1714428792 WFPZOXBRSFYXAF-SNVBAGLBSA-N 347.379 -1.002 10 10 EACE [N-]=[N+]=NCCOCCOCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O 205686333 ABBZTEUICIJBPU-RMPHRYRLSA-N 337.329 -1.854 10 10 EACE 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