smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features Nc1ccc(CNC[C@](O)(Cn2cncn2)c2ccc(Cl)cc2Cl)cc1 29040356 VJUVFNKVWOQYGD-SFHVURJKSA-N 392.290 2.845 10 1 GFCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3c(O)nc(=N)[nH]c3[nH]1)[C@H]1CC=C[C@H]21 587276504 LHUWSIAJDCQHPK-KWBADKCTSA-N 379.380 2.514 10 1 GFCF O=C1c2ccccc2-c2c1c1cc(C(F)(F)F)ccc1c(=O)n2C[C@H](O)CO 473170909 SNODSZFZDGGGPO-NSHDSACASA-N 389.329 2.585 10 1 GFCF Cc1ncc([N+](=O)[O-])n1Cc1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 587274496 PKEVMFMICKMOKR-UHFFFAOYSA-N 387.355 2.800 10 1 GFCF COc1cc([C@@H]2c3c(cc(OC)c(O)c3O)C[C@@H]3COC[C@H]32)cc(OC)c1O 2356519058 MBBZRCCRPPDOEH-XNJGSVPQSA-N 388.416 2.780 10 1 GFCF CCN(Cc1cnc2nc(N)nc(N)c2c1C)c1cc(OC)c(OC)c(OC)c1 3814956 WCFNJGZVGSNPGG-UHFFFAOYSA-N 398.467 2.550 10 1 GFCF C[C@H](CCCNC(=O)OC1CCCCC1)NC[C@@H](O)c1ccc(O)c(O)c1 27719063 ROSAPHYGJHZPEE-AUUYWEPGSA-N 380.485 2.948 10 1 GFCF COc1cccc2c1[C@]1(Oc3cc(C)cc4ccc(O)c1c34)N(CCO)C2=O 2356799038 TXNICMSEHSRCQN-JOCHJYFZSA-N 377.396 2.904 10 1 GFCF CSc1c(NS(=O)(=O)c2cccs2)cc(O)c(O)c1/C=C/C(=O)O 209565951 JQYSICRLEJDGSG-SNAWJCMRSA-N 387.460 2.780 10 1 GFCF CNC[C@@]1(c2ccc(O)c(O)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 587754411 JPNMBIWVNNGYAX-MGNBDDOMSA-N 395.272 2.997 10 1 GFCF CN1c2cccc(C(N)=O)c2Nc2c(C(=O)c3ccccc3)ccc(C(N)=O)c21 103241596 LYHOSEPTWGRSRB-UHFFFAOYSA-N 386.411 2.940 10 1 GFCF CCC(=O)CCc1c(CC(=O)OC)cc2c(c1O)C(=O)c1c(O)cccc1C2=O 13334189 DHGYRADQYWIUPR-UHFFFAOYSA-N 396.395 2.500 10 1 GFCF biogenic CO[C@@H]1c2cc(C(C)C)c(O)c(O)c2[C@@]23C[C@@H](O)CC(C)(C)[C@H]2[C@H]1OC3=O 2356609123 OPKZBJRGPVMQNF-FXWFYVQPSA-N 376.449 2.883 10 1 GFCF CS(=O)(=O)Nc1ccc(O)c(-c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)c1 586949632 WQVHKECJWMEKQO-UHFFFAOYSA-N 382.785 2.869 10 1 GFCF CS(=O)(=O)Nc1ccc(O)c(-c2nc3cc(-n4cccn4)c(F)cc3[nH]2)c1 586949081 PTJPRPJRSLEOMY-UHFFFAOYSA-N 387.396 2.632 10 1 GFCF CCCC(=O)c1c(O)cc(O)c2c1C(=O)c1cc(OC)c(OC)c(O)c1C2=O 1911586729 BTUBEBNFCQRMSI-UHFFFAOYSA-N 386.356 2.579 10 1 GFCF CC1=NN(C(N)=S)C(=O)[C@@H]1/N=N\c1c(Cl)cc([N+](=O)[O-])cc1Cl 102737091 KOAXTNKKEUXCCW-VBYIKQEJSA-N 375.197 2.816 10 1 GFCF O=C(NCc1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O)c1cscn1 587027844 IDSAVVKRXAXIGP-UHFFFAOYSA-N 388.408 2.725 10 1 GFCF CC(C)=CCC1(CC=C(C)C)C(=O)C(=O)[C@@H](O)[C@]12NCCc1ccc(O)cc12 963340324 GOIHOFAJWSVQFR-GGAORHGYSA-N 383.488 2.945 10 1 GFCF O=c1cc(-c2ccccc2)oc2c(CN3CCC(CO)CC3)c(O)c(O)c(O)c12 72124364 HPAUUUSIXSZPIQ-UHFFFAOYSA-N 397.427 2.781 10 1 GFCF Cc1c(-c2noc(-c3cc(O)c(O)c([N+](=O)[O-])c3)n2)ccc(C(F)(F)F)[n+]1[O-] 34894424 JZXUXXQCHUHIGJ-UHFFFAOYSA-N 398.253 2.684 10 1 GFCF C[C@H](NC(=O)n1sc2ncccc2c1=O)c1ccc(N2CCOCC2)cc1 169711346 AORPAILDQYOXEW-ZDUSSCGKSA-N 384.461 2.614 10 1 GFCF COc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2ccn(C)c(=O)c2)nc1 209443457 QWOMNETWGQPMRF-WBVHZDCISA-N 378.432 2.737 10 1 GFCF COc1cc([C@@H]2c3c(cc(OC)c(O)c3O)C[C@H]3COC[C@@H]32)cc(OC)c1O 2356519056 MBBZRCCRPPDOEH-DCGLDWPTSA-N 388.416 2.780 10 1 GFCF Cn1c(O)c(C2=NNC(=O)C2=Cc2ccc(Cl)cc2)c(=O)c2ccccc21 2356856071 RWOYAEQUQDTSPK-UHFFFAOYSA-N 379.803 2.815 10 1 GFCF COc1cc(C[C@@H]2C[C@@H](CO)[C@@H](c3cc(O)c(O)c(OC)c3)O2)ccc1O 2356408622 LEVYMEDSKDTTHP-LRDNONRASA-N 376.405 2.502 10 1 GFCF COc1c(O)cc2c(c1O)C(=O)c1c(cc3c(c1O)[C@H]1CCC[C@@](C)(O3)O1)C2=O 13374853 RILZPXMAXDFTJX-WSVYEEACSA-N 398.367 2.938 10 1 GFCF biogenic COC(=O)[C@]12O[C@@]1(CC(CO)=C(C)C)C(=O)c1cccc(CC(C)C)c1C2=O 85592735 CZTCGNBYPMEYIO-VXKWHMMOSA-N 386.444 2.664 10 1 GFCF biogenic,in-vitro Cc1c(CC(=O)O)cc(-c2ccc(S(N)(=O)=O)cc2)n1-c1cccc(F)c1 299871784 ZGHLOTMUPVRFAQ-UHFFFAOYSA-N 388.420 2.866 10 1 GFCF O=C(CN1CCOCC1)N1N=C(c2ccc(F)cc2)C[C@H]1c1ccccc1O 299856417 BVAPBXYTPKAZCX-IBGZPJMESA-N 383.423 2.541 10 1 GFCF CO[C@@H]1c2cc(C(C)C)c(O)c(O)c2[C@@]23C[C@H](O)CC(C)(C)[C@H]2[C@H]1OC3=O 2356609122 OPKZBJRGPVMQNF-DRCNZXRPSA-N 376.449 2.883 10 1 GFCF O=[N+]([O-])c1cc(CN2CCN(Cc3cccnc3)CC2)c(O)c2ncccc12 95593554 WXWHNXUPXWYMEI-UHFFFAOYSA-N 379.420 2.561 10 1 GFCF CCOC(=O)C(=[N+]=[N-])[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587339529 UKAOWEPGGBGDPL-OXJNMPFZSA-N 384.363 2.883 10 1 GFCF O=C1[C@H](N2CCC(c3ccc(O)cc3)CC2)CCN1Cc1ccc(O)c(O)c1 1772639520 IXTMSISYSYXUJS-LJQANCHMSA-N 382.460 2.784 10 1 GFCF COc1cc(C[C@@H]2CO[C@H](c3ccc(O)c(O)c3)[C@@H]2COC(C)=O)ccc1O 14642068 HTVQTABGEGXRHO-WHSLLNHNSA-N 388.416 2.922 10 1 GFCF biogenic COc1cc(C[C@@H]2C[C@@H](CO)[C@H](c3cc(O)c(O)c(OC)c3)O2)ccc1O 2356408623 LEVYMEDSKDTTHP-MNVSYLFESA-N 376.405 2.502 10 1 GFCF CN(C)CCNC(=O)c1cccc2c(NCCN(C)C)c3ccccc3nc12 5845705 OUYIZYVQLKWWQZ-UHFFFAOYSA-N 379.508 2.653 10 1 GFCF COc1ccc(-c2oc3c(OC)c(OC)c(O)c(O)c3c(=O)c2OC)cc1O 15271771 AHABJNGVCRMRMN-UHFFFAOYSA-N 390.344 2.611 10 1 GFCF biogenic CCN(CC)CCn1nc2c3c(c(NCCN)ccc31)C(=O)c1ccccc1-2 28757732 JYBLNVIFGBPKNO-UHFFFAOYSA-N 377.492 2.960 10 1 GFCF CO[C@H]1c2cc([C@@H](C)CO)c(O)c(O)c2[C@@]23CCCC(C)(C)[C@@H]2[C@@H]1OC3=O 238775928 QLWKXHVBCICFIH-JVMXXWMSSA-N 376.449 2.884 10 1 GFCF [N-]=[N+]=N[C@@H]1[C@H](N)[C@@H](OCc2ccccc2)O[C@@H](CO)[C@H]1OCc1ccccc1 194889503 RTWCSZRCSZJIRN-OMZCGLGVSA-N 384.436 2.512 10 1 GFCF C[C@@]1(c2ccc(N3CCC(O)CC3)cc2)N[C@H](C(=O)O)Cc2cccc(F)c21 962901973 UWNBBPLPHFTPLB-UGKGYDQZSA-N 384.451 2.649 10 1 GFCF C[C@]1(O)CCN(Cc2ccccc2O)[C@H](c2ccccc2)[C@@H]1NC(=O)C1CC1 2356289217 ROGMHDYHLMUVFC-GIWBLDEGSA-N 380.488 2.985 10 1 GFCF COc1cc2ncnc(N3CCN[C@@H](c4ccc(N(C)C)cc4)C3)c2cc1OC 96168425 DXRZESFNPPSWAJ-LJQANCHMSA-N 393.491 2.864 10 1 GFCF O=c1c2c(O)cccc2oc2cc(NS(=O)(=O)c3ccccc3)c(O)c(O)c12 1857642947 QLUWUGJCXWQBTF-UHFFFAOYSA-N 399.380 2.864 10 1 GFCF O=C(O)[C@@H]1Nc2ccc(-c3ccc4c(O)nc(O)nc4n3)cc2[C@@H]2C=CC[C@H]12 587554368 IKONIJOYCBPRSS-OHUAYANFSA-N 376.372 2.641 10 1 GFCF [N-]=[N+]=N[C@H]1[C@H](N)[C@@H](OCc2ccccc2)O[C@@H](CO)[C@@H]1OCc1ccccc1 169301151 RTWCSZRCSZJIRN-HVTWWXFQSA-N 384.436 2.512 10 1 GFCF CS(=O)(=O)Nc1cccc(-c2nc(/C=C3\SC(=S)NC3=O)cs2)c1 1772633194 IIKASXCOCFPIPC-WDZFZDKYSA-N 397.528 2.670 10 1 GFCF COc1cc2c(cc1OC)N1Cc3cc(OC)c(OC)cc3N(C2)C1N(C)C 200621890 MWUYNNCBCRZRSK-UHFFFAOYSA-N 385.464 2.906 10 1 GFCF O=c1cc(-c2ccc(O)cc2)oc2c(CN3CCC[C@H](O)C3)c(O)cc(O)c12 72126217 GANKLHMMHRCRMH-AWEZNQCLSA-N 383.400 2.534 10 1 GFCF CC(=O)Nc1ccc(O)c([C@@]2(C)N[C@H](C(=O)O)Cc3c2cnc2ccccc32)c1 963224300 MNKQBJPOVXXWFO-SIKLNZKXSA-N 391.427 2.761 10 1 GFCF O=C1c2ccccc2-c2nc3nc(O)[nH]c(=O)c3c(-c3ccc4c(c3)OCCO4)c21 71329813 WRGAVYAHRLIFSD-UHFFFAOYSA-N 399.362 2.673 10 1 GFCF Nc1ccc(C[C@H]2NCCc3cc(O)c(O)cc32)cc1I 11422312 QWTXDWOAXDXJFU-CQSZACIVSA-N 396.228 2.714 10 1 GFCF C[C@@H](/N=N/c1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])c1ccc2c(c1)OCO2 169688294 LBDOGAFCIHYGMP-KWMNCDDFSA-N 378.366 2.816 10 1 GFCF COc1c(O)c(CN2CCOCC2)c2oc(-c3ccccc3)cc(=O)c2c1O 29127823 XEEVOAAHXYCRPP-UHFFFAOYSA-N 383.400 2.712 10 1 GFCF COc1ccc(N2CCN(Cc3c(C)[nH]c4nc(N(C)C)ncc34)CC2)cc1 35305482 YZYXPRGKOZFCSN-UHFFFAOYSA-N 380.496 2.663 10 1 GFCF [N-]=[N+]=N[C@H]1[C@H](OCc2ccccc2)[C@@H](CO)O[C@@H](OCc2ccccc2)[C@H]1N 253636568 RTWCSZRCSZJIRN-USYVTKNRSA-N 384.436 2.512 10 1 GFCF COc1ccc(CN2Cc3cc(N4CCOCC4)ccc3-n3nncc3C2)cc1 95570394 OXZFLQPBGNEWRR-UHFFFAOYSA-N 391.475 2.628 10 3 GFCF CC[C@](Cc1ccc(O)c(O)c1)(OC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)O 85510848 XSVUUYKNINAWHI-MUPIXQSSSA-N 388.372 2.542 10 1 GFCF biogenic,in-vitro COc1cc([C@@H]2C[C@@H](O)C[C@H](CCc3ccc(O)cc3)O2)c(CO)c(O)c1O 2356479081 BXDGMKAIMSFREK-MPGHIAIKSA-N 390.432 2.518 10 1 GFCF Cc1ccc(C(=O)OC[C@@]2(CO)C/C(=C/c3ccc(N(C)C)cc3)C(=O)O2)cc1 40864384 NTPPEYKJWWEQLA-UQQMVDRBSA-N 395.455 2.979 10 1 GFCF CCc1nc(N)nc(N)c1-c1ccc(Cl)c(/N=N/N2CCC(O)CC2)c1 13762633 SWOBASFZLRUIMX-WCWDXBQESA-N 375.864 2.979 10 1 GFCF O=C(NCCCCNC(=O)c1cc(-c2ccccc2)on1)c1ccc(O)c(O)c1 473089533 RIUGAMMQJLKVEF-UHFFFAOYSA-N 395.415 2.693 10 1 GFCF CCOC(=O)c1ccc(O)c([C@H]2N[C@@H](C(=O)O)Cc3c2cnc2ccccc32)c1 963221944 GDQYRSSPEBRNMN-UYAOXDASSA-N 392.411 2.805 10 1 GFCF CCCC(=O)c1c(CC(=O)OC)cc2c(c1O)C(=O)[C@@H]1C(O)=CC=C[C@@H]1C2=O 2356709803 VPKOCJCXYZKOAS-GTNSWQLSSA-N 384.384 2.714 10 1 GFCF Cc1ccc(S(=O)(=O)Cc2nc3c(Cn4ccnc4)c(O)ccc3n2C)cc1 64560682 XEONDTVOSOZNCP-UHFFFAOYSA-N 396.472 2.806 10 1 GFCF Cc1cc2cc(C(=O)NCCCN3CCOCC3)c(=O)oc2c2ccccc12 73158833 AHTSSELUFJXDDG-UHFFFAOYSA-N 380.444 2.707 10 1 GFCF COc1ccc(N2CCN(CCn3nc(-c4ccccc4)ccc3=O)CC2)cc1 98085570 LINWTVPLMKXCBB-UHFFFAOYSA-N 390.487 2.741 10 1 GFCF C[C@@H](CCCNC(=O)OCc1ccccc1)NC[C@H](O)c1ccc(O)c(O)c1 27720639 SHOIXSXOEGEANU-YWZLYKJASA-N 388.464 2.816 10 1 GFCF CCOC(=O)c1c(NC(=O)C[C@H]2SC(=N)NC2=O)sc2c1CCCCC2 45245141 IQOPQHZMWKQYQF-LLVKDONJSA-N 395.506 2.689 10 1 GFCF CCOP(=O)(OCC)[C@@H](c1cc([N+](=O)[O-])ccc1O)N1CCN(C)CC1 26818520 JEFJKGVZXMKSTL-INIZCTEOSA-N 387.373 2.813 10 1 GFCF COC(=O)c1cc([C@@H]2NC[C@H]3CC(=O)N(C)c4cccc2c43)ccc1N(C)C 963022302 ILHTYCHVFFZBDB-SZNDQCEHSA-N 379.460 2.682 10 1 GFCF COc1ccc2nc3cc(Cl)ccc3c(NCCN(CCN)CCN)c2c1 32091565 NGINHLNEJVJGEK-UHFFFAOYSA-N 387.915 2.681 10 1 GFCF CNC[C@]1(c2ccc(O)c(O)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587569145 FJNULULFWWOUPU-DENIHFKCSA-N 393.395 2.880 10 1 GFCF Cn1cc(/C=C2\C(=O)NN=C2c2cnns2)c2c(Br)cccc21 28955039 MNWXBITVQKJCIF-UITAMQMPSA-N 388.250 2.710 10 1 GFCF COc1cccc(CNc2ccc(S(=O)(=O)Nc3ncccn3)cc2)c1O 103266553 SOQUQEVAQYAINF-UHFFFAOYSA-N 386.433 2.604 10 1 GFCF CO[C@H]1c2cc([C@H](C)CO)c(O)c(O)c2[C@@]23CCCC(C)(C)[C@H]2[C@@H]1OC3=O 238763748 QLWKXHVBCICFIH-GMDILPPDSA-N 376.449 2.884 10 1 GFCF C[C@H](CCCOC(=O)NC1CCCCC1)NC[C@H](O)c1ccc(O)c(O)c1 27725581 RAOFRCCWFCMYBI-KUHUBIRLSA-N 380.485 2.948 10 1 GFCF CN1C(=O)C(=Cc2ccc(Sc3nc4ccccc4n3C)o2)C(=O)N(C)C1=O 1857619731 AOJQWRCMHYWKLQ-UHFFFAOYSA-N 396.428 2.751 10 1 GFCF NCc1cc(C(=O)c2cc3c(c(Cl)c2Cl)O[C@H](C(=O)O)C3)ccc1O 27653929 WUEPDBXZXYJTLF-LBPRGKRZSA-N 382.199 2.777 10 1 GFCF COc1cc(O)c2c(c1O)C(=O)[C@@H]1C[C@](C)(OCCC(C)C)OC[C@H]1C2=O 238785435 AOPGIFKQYFONDP-FKANQGBASA-N 378.421 2.917 10 1 GFCF CC(C)(C)[C@@H]1C(=O)C(=O)[C@H](C(C)(C)C)[C@]2(NCCc3nc4ccccn4c32)C1=O 962979870 ASOFCWSEFPOLPP-OMXJDXKCSA-N 395.503 2.721 10 1 GFCF CN(C)CCNC(=O)c1c(O)ccc2nc3ccc4c(O)cccc4c3nc12 27853690 GZFVFNLQHFAMGI-UHFFFAOYSA-N 376.416 2.639 10 1 GFCF O=S1(=O)C[C@@H](N=Nc2c(O)n(Cc3ccccc3)c3ccccc23)[C@@H](O)C1 254010509 HRUKRGREPIONPY-WBVHZDCISA-N 385.445 2.637 10 1 GFCF COc1ccc(OC)c2c1C[C@H](C)N[C@@]2(C)c1c(O)cc(O)c(C(C)=O)c1O 963584943 UAZVLGVXHGMLMR-CHNSCGDPSA-N 387.432 2.821 10 1 GFCF Cc1c(O)ccc2c1[C@H](c1cc(OC(F)(F)F)ccc1O)N[C@H](C(=O)O)C2 963494278 ZYDXKXUFKXNVTM-LRDDRELGSA-N 383.322 2.993 10 1 GFCF CC[C@H](CO)Nc1nc(NCc2cc(O)ccc2O)c2ncn(C(C)C)c2n1 299857166 DSJPAGCUXYXEOO-CYBMUJFWSA-N 386.456 2.613 10 1 GFCF Cc1ccc(C2=NN(c3ccc(S(N)(=O)=O)cc3)[C@](O)(C(F)(F)F)C2)cc1 146831481 WOIPKPIYBLHJPL-MRXNPFEDSA-N 399.394 2.508 10 1 GFCF COc1cc2c(c(O)c1O)-c1c(cc(OC)c(O)c1O)CC(C)([C@@H](C)O)C2 49068561 ZFQNFMQTEKLASN-SECBINFHSA-N 376.405 2.679 10 1 GFCF COc1ccc(N2CCN(CC[C@H]3OCCc4cc(C(N)=O)ccc43)CC2)cc1 13779785 OCFFXDBBLHVFSW-JOCHJYFZSA-N 395.503 2.620 10 1 GFCF CNC[C@@]1(c2ccc(O)c(O)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587569148 FJNULULFWWOUPU-KNQAVFIVSA-N 393.395 2.880 10 1 GFCF O=C(NC1CCN(C(=O)c2ccc(O)c(O)c2)CC1)c1cc2ccccc2[nH]1 1772587793 XAROGJXDTSTCFM-UHFFFAOYSA-N 379.416 2.614 10 1 GFCF CS(=O)(=O)Nc1ccc(O)c(-c2nc3ccc(Br)c(O)c3[nH]2)c1 586948117 CNCUVLJCFVAYKH-UHFFFAOYSA-N 398.238 2.775 10 1 GFCF COC(=O)C(=O)C[C@@]1(c2ccccc2O)c2c(F)cccc2C[C@H]2CCCN21 963104463 ULIDCQZIGNMMON-IVZQSRNASA-N 383.419 2.928 10 1 GFCF CN(C)c1ccc2c(c1)[C@@H]1C[C@@H](CC(=O)NC3CCCCC3)O[C@@H](CO)[C@@H]1O2 95903102 FNFGUCPTYHKNGE-JXYHXMIBSA-N 388.508 2.586 10 1 GFCF CCOC(=O)c1ccc(O)c([C@@H]2N[C@H](C(=O)O)Cc3c2cnc2ccccc32)c1 963221930 GDQYRSSPEBRNMN-ICSRJNTNSA-N 392.411 2.805 10 1 GFCF CC[C@H](C)CO[C@]1(C)C[C@H]2C(=O)c3c(O)c(OC)cc(O)c3C(=O)[C@@H]2CO1 2356579883 HANCKSHFXPSBBO-SPXIXGAQSA-N 378.421 2.917 10 1 GFCF CC=C1CN2[C@H]3C[C@@]45c6cc(OC)ccc6N(C)[C@@H]4[C@H]2C[C@H]1[C@H]3[C@@H]5OC(C)=O 2356583379 SGXOBVVNZTTYAF-PYWGLWFMSA-N 380.488 2.736 10 1 GFCF COc1cc(OC)c(C(=O)c2ccccc2F)c(O)c1CN1CCN(C)CC1 49087862 PQPMNEIPZJLZLK-UHFFFAOYSA-N 388.439 2.527 10 1 GFCF COc1ccc(C2=NN(C(=O)Cn3ccnc3)[C@@H](c3ccccc3O)C2)cc1 299862596 JWEJXPJOGNOLDE-LJQANCHMSA-N 376.416 2.975 10 1 GFCF Cn1c(=O)c2c(nc(/N=N/Cc3cccs3)n2Cc2ccccc2)n(C)c1=O 169689663 HMOQNFNVJRZARE-LSDHQDQOSA-N 394.460 2.827 10 1 GFCF CC[C@H](C)CO[C@]1(C)C[C@@H]2C(=O)c3c(O)c(OC)cc(O)c3C(=O)[C@@H]2CO1 2356579885 HANCKSHFXPSBBO-UWBFWJQTSA-N 378.421 2.917 10 1 GFCF COc1cc2c(c(O)c1O)-c1c(cc(OC)c(O)c1O)CC(C)([C@H](C)O)C2 49068559 ZFQNFMQTEKLASN-VIFPVBQESA-N 376.405 2.679 10 1 GFCF CN(C)CCNC(=O)c1cccc2nc3ccc4c(C(=O)O)cccc4c3nc12 27855682 MCWZXQLIEZHINM-UHFFFAOYSA-N 388.427 2.926 10 1 GFCF CC=C1CN(C)[C@H]2Cc3c(n(C)c4cc(OC)ccc34)C(=O)C[C@H]1[C@@H]2C(=O)OC 2356438783 SCEZUKWTQWFYLN-PBEJRMEISA-N 396.487 2.982 10 1 GFCF CCCc1cc(I)cc(CNCCCN(C)C)c1O 28242693 HISJYEUJUPMBIC-UHFFFAOYSA-N 376.282 2.991 10 1 GFCF CC[C@H](C)CO[C@@]1(C)C[C@H]2C(=O)c3c(O)c(OC)cc(O)c3C(=O)[C@@H]2CO1 238772145 HANCKSHFXPSBBO-JBXDMFIJSA-N 378.421 2.917 10 1 GFCF [N-]=[N+]=N[C@@H]1[C@H](N)[C@H](OCc2ccccc2)O[C@H](CO)[C@@H]1OCc1ccccc1 253636566 RTWCSZRCSZJIRN-UJMXGEILSA-N 384.436 2.512 10 1 GFCF COc1cc([C@H]2N[C@H](C(=O)O)Cc3c2cnc2ccccc32)c(O)c([N+](=O)[O-])c1 963217944 DTWKMWWGONTFEK-FUHWJXTLSA-N 395.371 2.546 10 1 GFCF COc1ccc(N2CCN(c3nc(O)c4c(n3)CCC(F)(F)C4)CC2)cc1 1857561379 CBWFQPMXOMDMKI-UHFFFAOYSA-N 376.407 2.641 10 1 GFCF CC(C)(C)OC(=O)[N+](=N)C(=O)[C@H]1CCC(=O)N1C(=O)OCc1ccccc1 5714490 MYRIMUXWWHWXLU-CYBMUJFWSA-N 376.389 2.819 10 1 GFCF CCOC(=O)c1c2c(n3ccccc13)C(=O)c1cc(C(=O)OC)sc1C2=O 84711335 YPAPCBVMUWXBRS-UHFFFAOYSA-N 383.381 2.740 10 1 GFCF COC(=O)c1cc([C@@H]2NC[C@@H]3CC(=O)N(C)c4cccc2c43)ccc1N(C)C 963022295 ILHTYCHVFFZBDB-QKKBWIMNSA-N 379.460 2.682 10 1 GFCF CS(=O)(=O)Nc1ccc(O)c(-c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)c1 586948587 JUWFHWMWBFCDJC-UHFFFAOYSA-N 383.332 2.629 10 1 GFCF COc1ccc(N2CCN(C(=O)c3cn(CC4CCCCC4)nn3)CC2)cc1 11937815 ALXGBLDEUHGLOY-UHFFFAOYSA-N 383.496 2.829 10 3 GFCF CC[C@](Cc1ccc(O)c(O)c1)(OC(=O)C=Cc1ccc(O)c(O)c1)C(=O)O 2356764011 XSVUUYKNINAWHI-HXUWFJFHSA-N 388.372 2.542 10 1 GFCF CC(=O)Oc1cc2c(c(OC(C)=O)c1C)C(=O)c1c(OC(C)=O)cccc1C2=O 14814202 ZJSBCHYGYWONSU-UHFFFAOYSA-N 396.351 2.546 10 1 GFCF biogenic O=C(O)CCCCCN1C(=O)[C@@H]([C@H]2C(=O)Nc3ccccc32)SC1=S 28863703 CDGWFYDPJMYGGA-UONOGXRCSA-N 378.475 2.596 10 1 GFCF COC(=O)c1cc([C@H]2NC[C@@H]3CC(=O)N(C)c4cccc2c43)ccc1N(C)C 963022291 ILHTYCHVFFZBDB-LHSJRXKWSA-N 379.460 2.682 10 1 GFCF CC[C@H](C)CO[C@]1(C)C[C@H]2C(=O)c3c(O)c(OC)cc(O)c3C(=O)[C@H]2CO1 2356579880 HANCKSHFXPSBBO-LCCANLFKSA-N 378.421 2.917 10 1 GFCF NC(=O)c1ncccc1-c1ccc2c3[nH]ncc3c(=O)n(CC(F)(F)F)c2c1 205529337 HAGLKODNUZRMAP-UHFFFAOYSA-N 387.321 2.601 10 1 GFCF COc1cc(OC)c2c(c1)C(=O)c1cc3c(c(OC)c1C2=O)[C@@H]1C=CO[C@H]1O3 2356527738 LWERGRLZWMJSEI-CWKPULSASA-N 380.352 2.834 10 1 GFCF C[C@@H](CCCNC(=O)OCc1ccccc1)NC[C@@H](O)c1ccc(O)c(O)c1 27720627 SHOIXSXOEGEANU-MGPUTAFESA-N 388.464 2.816 10 1 GFCF O=c1cc(-c2ccccc2)oc2c(CN3CCC(O)CC3)c(O)c(O)c(O)c12 72123610 HERQHVGZVXIZFB-UHFFFAOYSA-N 383.400 2.534 10 1 GFCF CCCC(=O)O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1 29395749 KNGOPGSBMFKINS-VQIMIIECSA-N 376.361 2.603 10 1 GFCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3c(O)nc(O)nc3[nH]1)[C@H]1CC=C[C@H]21 587276064 IQBODZOAGVFTNI-KWBADKCTSA-N 380.364 2.807 10 1 GFCF O=C1c2ccccc2C(=O)c2c1nc(-c1ccsc1)n2CCN1CCOCC1 1857637262 NNGDRYFHVVTSQR-UHFFFAOYSA-N 393.468 2.719 10 1 GFCF CC(=O)Oc1ccc2c(c1)c1c(n2CCN(C)C)C(=O)c2ccccc2C1=O 141950134 UPHPXRZLOGZVHQ-UHFFFAOYSA-N 376.412 2.904 10 1 GFCF Oc1ccc([C@@H]2CNCCc3c2cc(O)c(O)c3I)cc1 26398109 CIEGSBJGXDAFQX-ZDUSSCGKSA-N 397.212 2.686 10 1 GFCF COc1ccc(OC)c2c1C[C@H](C)N[C@]2(CNC(C)C)c1ccc(O)c(O)c1 963603249 BXEBXDIECBPFGZ-RCDICMHDSA-N 386.492 2.891 10 1 GFCF CCOc1ccc(N2CCN(c3noc([C@@H](C)NC(C)=O)n3)[C@@H](C)C2)c(C)c1 103252718 HRSAPEKZOYYIGR-LSDHHAIUSA-N 387.484 2.689 10 1 GFCF CC[C@H](C)[C@H](N)C(=O)Nc1cc(NC(=O)/C=C/c2ccc(O)c(O)c2)ccc1O 103178905 NQWYENCRIBKMQM-KCHJGGEBSA-N 399.447 2.767 10 1 GFCF C[C@@H](CCCOC(=O)NC1CCCCC1)NC[C@H](O)c1ccc(O)c(O)c1 27725573 RAOFRCCWFCMYBI-LIRRHRJNSA-N 380.485 2.948 10 1 GFCF [N-]=[N+]=NCCCCCCc1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 587260235 OAFOIFQGPSLXRT-UHFFFAOYSA-N 392.485 2.997 10 1 GFCF COc1cc(C[C@H]2C(=O)OC[C@@H]2Cc2ccc(O)c(O)c2)cc(OC)c1OC 14646696 CKKVZMACENBCGR-LSDHHAIUSA-N 388.416 2.698 10 1 GFCF biogenic,in-vitro COc1cc2nc(Nc3ccc(O)c(C[N+](C)(C)C)c3)nc(N)c2cc1OC 40776210 UOMOUCYUCVJIKL-UHFFFAOYSA-O 384.460 2.885 10 1 GFCF CN(C)c1ccc(/C=C2/C[C@@](CO)(COC(=O)c3ccccc3)OC2=O)cc1 40846300 DKVBAXOYYKRRBA-OFFMQOAPSA-N 381.428 2.671 10 1 GFCF O=S1(=O)C[C@@H](O)[C@H](N=Nc2c(O)n(Cc3ccccc3)c3ccccc23)C1 254010501 HRUKRGREPIONPY-NVXWUHKLSA-N 385.445 2.637 10 1 GFCF C[C@]1(c2ccc(N3CCC(O)CC3)cc2)N[C@H](C(=O)O)Cc2cccc(F)c21 962901971 UWNBBPLPHFTPLB-SIKLNZKXSA-N 384.451 2.649 10 1 GFCF O=c1cc(-c2ccccc2)oc2c(CN3CCC[C@@H](O)C3)c(O)c(O)c(O)c12 72124632 AUFAAUAWYPNKGY-CYBMUJFWSA-N 383.400 2.534 10 1 GFCF CC1=NN(c2ccccc2)C(=O)/C1=C(\c1ccc2c(c1)OCO2)N1CCOCC1 1857762904 JAMRKZYBOQXZGA-QZQOTICOSA-N 391.427 2.881 10 1 GFCF CCc1cc(-c2ccccc2)cc(OC)c1C1C(=O)N2CCOCCN2C1=O 103186598 HHVSGTKHVVTQKH-UHFFFAOYSA-N 380.444 2.624 10 1 GFCF CN1CCN(C[C@@H](O)COc2ccc3c(c2)CCCN3Cc2ccccc2)CC1 40848175 AGACSDFOWHKWCY-JOCHJYFZSA-N 395.547 2.627 10 1 GFCF COc1ccc2c(c1)c(CCN1CCOCC1)c(C)n2CC(=O)NC1CCCC1 1857573003 KYZMIFYSFCDHPA-UHFFFAOYSA-N 399.535 2.892 10 1 GFCF CCOc1nc2ccccc2nc1C(=O)N1CCN(c2ccc(OC)cc2)CC1 66066568 ABMLXZMBXFNUHK-UHFFFAOYSA-N 392.459 3.000 10 1 GFCF Cc1c(Br)cnc2[nH]c(-c3cc(NS(C)(=O)=O)ccc3O)nc12 586948124 COTKFCXIGWTISX-UHFFFAOYSA-N 397.254 2.773 10 1 GFCF CC(=O)Oc1cccc2c1C(=O)c1c(OC(C)=O)cc(C)c(OC(C)=O)c1C2=O 14814379 BPQAWWSWYULFRK-UHFFFAOYSA-N 396.351 2.546 10 1 GFCF biogenic CC1(C)[C@H]([N+](=O)[O-])[C@@H](c2ccccc2O)N[C@@H](c2ccccc2O)[C@@H]1[N+](=O)[O-] 13151599 QWRZREMQSRFAAJ-USTZCAOPSA-N 387.392 2.800 10 1 GFCF CSC[C@H](N/C=C1\C(=O)N(c2ccccc2)N=C1c1ccccc1)C(=O)O 72176821 KBLIKHPFWXRYOE-WBILKINKSA-N 381.457 2.727 10 1 GFCF CCOC(=O)C[C@@H](OC(=O)/C=C/c1ccc(O)c(O)c1)c1ccc(O)c(O)c1 141164910 HGNBCZFZBKBJMT-SBLNNXNXSA-N 388.372 2.760 10 1 GFCF COc1cc2c3c(c1)O[C@@H](c1ccc(O)c(CN4CCN(C)CC4)c1)[C@@H](C2)C3=O 587444450 PWWIZDBEERLSAL-MBSDFSHPSA-N 394.471 2.637 10 1 GFCF COc1ccc(-n2c(CCC(=O)O)nc3c2C(=O)c2ccccc2C3=O)cc1 1855986 YTZQQWDVSFBIQW-UHFFFAOYSA-N 376.368 2.674 10 1 GFCF O=C(CN1CCOCC1)N1N=C(c2ccc(F)cc2)C[C@@H]1c1ccccc1O 299856418 BVAPBXYTPKAZCX-LJQANCHMSA-N 383.423 2.541 10 1 GFCF Cc1cccc(C/N=N/c2cc(N3CCOCC3)nc(N3CCOCC3)n2)c1 169686956 HVNKZACKJFQDGA-DARPEHSRSA-N 382.468 2.742 10 1 GFCF CCC=CC[C@@H]1C(=O)CC[C@H]1CC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O 2356421671 QMNCIZZUXQVCBL-JYJNAYRXSA-N 389.448 2.551 10 1 GFCF O=C(O)c1cc2c(-c3c(O)c(O)cc4[nH]c(C(=O)O)cc34)c(O)c(O)cc2[nH]1 85598791 FXOYAOLSFLTAPO-UHFFFAOYSA-N 384.300 2.535 10 1 GFCF in-vitro COc1ccc(C2=C3C(=NC(=N)N3C)C(=O)c3c(OC)ccc(OC)c32)cc1 1857773202 LJBDOKUMRGLEIO-UHFFFAOYSA-N 377.400 2.989 10 1 GFCF Cn1c(O)c(C2=NNC(=O)C2=Cc2cccc(Cl)c2)c(=O)c2ccccc21 2356858188 SWXIRJIMQZJOHV-UHFFFAOYSA-N 379.803 2.815 10 1 GFCF C/C=C1/CN2[C@H]3C[C@@]45c6cc(OC)ccc6N(C)[C@H]4[C@@H]2C[C@@H]1[C@@H]3[C@@H]5OC(C)=O 238752223 SGXOBVVNZTTYAF-PRBKIOFOSA-N 380.488 2.736 10 1 GFCF CC(C)(Oc1ccc(N2CCN(c3ccc(C(=N)N)cc3)CC2)cc1)C(=O)O 29330062 RIYLVDLBEBUUON-UHFFFAOYSA-N 382.464 2.539 10 1 GFCF Cc1nc2[nH]c(-c3cc(NS(C)(=O)=O)ccc3O)nc2cc1Br 586948463 GVCAEEDCGXLYPS-UHFFFAOYSA-N 397.254 2.773 10 1 GFCF CS(=O)(=O)c1ccc(-c2nc(/C=C3\SC(=S)NC3=O)cs2)cc1 1772581261 VEBPNWGXHTZMDK-WDZFZDKYSA-N 382.513 2.702 10 1 GFCF CC(C)CN1C(=O)C(=CN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)SC1=S 2356752003 GEZHEUYLIGFUEF-KGLIPLIRSA-N 389.546 2.625 10 1 GFCF O=C1N=C(O)/C(=C/c2ccc(OCCn3ccc4cccnc43)cc2)C(=O)N1 40424272 GNZHKPCNLUEEKE-UHFFFAOYSA-N 376.372 2.705 10 1 GFCF C[n+]1c(C=C2C=CN(CC(=O)NCCN)c3ccccc32)sc2ccccc21 1857582795 GVXJTAVJNJZGMD-UHFFFAOYSA-O 391.520 2.675 10 1 GFCF Nc1cccc(CNc2ccc(S(=O)(=O)Nc3nccs3)cc2)c1O 103265809 YAQONHXETOPMCL-UHFFFAOYSA-N 376.463 2.844 10 1 GFCF CC(C)CN(Cc1ccc(N2CC(O)C2)cc1)S(=O)(=O)Cc1ccccc1 147263359 APIOWVZAKVANEO-UHFFFAOYSA-N 388.533 2.856 10 1 GFCF CCCCCCn1c2nc(=O)n(C)c(=O)c-2cc2c1C(=O)C(=O)c1ccccc1-2 27868113 RPFBINZWMVIOJL-UHFFFAOYSA-N 391.427 2.673 10 1 GFCF Cc1cc(O)c(C2=NN(S(N)(=O)=O)[C@@H](c3ccccc3O)C2)c(C)c1Cl 299861150 KPCDVYKLILPJBJ-CYBMUJFWSA-N 395.868 2.723 10 1 GFCF COc1cc2cc(-c3cc4cc(O)c(O)cc4oc3=O)c(=O)oc2c(OC)c1O 49111776 XFGGVXYNIBUVBK-UHFFFAOYSA-N 398.323 2.700 10 1 GFCF biogenic COc1cc(O)c2c(c1C/C=C(/C)CO)O[C@H](c1ccc(O)c(O)c1)CC2=O 231445783 SNPYBALVJUBBHC-QQMAYYJASA-N 386.400 3.000 10 1 GFCF O=C1NC(=S)S/C1=C\c1ccccc1OCN1C(=O)c2ccccc2C1=O 1857655795 ULQOACPCRVVYNS-DHDCSXOGSA-N 396.449 2.808 10 1 GFCF NCC[C@@H]1CCCCN1[C@@H]1N=C2c3c(O)cccc3C(=O)c3cccc(c32)O1 169300817 FRJTVIAAXPSDFL-XMHCIUCPSA-N 377.444 2.653 10 1 GFCF COc1cc(/C=C/c2nc3ccc(C4=C(C)CC(=O)NN4)cc3[nH]2)cc(O)c1O 587785479 MOUYARBOAHVXRH-ZZXKWVIFSA-N 392.415 2.909 10 1 GFCF COc1cc(OC)c2c(c1)C(=O)c1cc3c(c(OC)c1C2=O)[C@@H]1C=CO[C@@H]1O3 238731538 LWERGRLZWMJSEI-CHNSCGDPSA-N 380.352 2.834 10 1 GFCF COc1cc(CCC(=O)C[C@@H](O)CCc2cc(O)c(O)c(OC)c2)ccc1O 15113772 JHWWZAIWXYIMDH-INIZCTEOSA-N 390.432 2.706 10 1 GFCF biogenic CCCN1CCN(c2ccc3c(c2)CN(S(=O)(=O)c2ccccc2)C3)CC1 1857603738 WBVCIPQEKGGLDT-UHFFFAOYSA-N 385.533 2.923 10 1 GFCF C[C@H](CCCNC(=O)OC1CCCCC1)NC[C@H](O)c1ccc(O)c(O)c1 27719078 ROSAPHYGJHZPEE-KUHUBIRLSA-N 380.485 2.948 10 1 GFCF COc1cc2c3c(c1)O[C@@](C)(c1ccc(O)c(CN4CCOCC4)c1)[C@@H](C2)C3=O 587440510 ASXFFTBYYCOZBM-MBSDFSHPSA-N 395.455 2.896 10 1 GFCF O=C(c1ccc(O)c(O)c1)c1cc2cc(Br)cc(O)c2oc1=O 96917603 OJNJAUWCSKAHHN-UHFFFAOYSA-N 377.146 2.903 10 1 GFCF COc1cc([C@@H]2C[C@H](O)C[C@H](CCc3ccc(O)c(O)c3)O2)cc(O)c1O 13340632 CDLANTQZSUXRAX-GLJUWKHASA-N 376.405 2.731 10 1 GFCF biogenic CNC[C@@]1(c2ccc(O)c(O)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587569150 FJNULULFWWOUPU-UGKGYDQZSA-N 393.395 2.880 10 1 GFCF CNS(=O)(=O)c1cc(-c2nc3cc(Oc4ccc(N)cc4)ccc3[nH]2)n(C)c1 586947253 KTRSBRJJOOQXLK-UHFFFAOYSA-N 397.460 2.851 10 1 GFCF COc1cc2c3c(c1)O[C@H](c1c(C)n(CC(N)=O)c4ccccc14)[C@@H](C2)C3=O 587431772 RHZMJKDMAJAOII-NYHFZMIOSA-N 376.412 2.932 10 1 GFCF CC=C1CN2[C@H]3C[C@@]45c6cc(OC)ccc6N(C)[C@@H]4[C@H]2C[C@H]1[C@@H]3[C@@H]5OC(C)=O 2356583380 SGXOBVVNZTTYAF-SJMFTKPXSA-N 380.488 2.736 10 1 GFCF CC(C)(C)n1nnnc1[C@H](c1cccc(O)c1O)N1CCc2ccccc2C1 1772580388 DCANYRAZLQIHQF-SFHVURJKSA-N 379.464 2.987 10 1 GFCF CC(=O)NCCCn1c2c(c3ccc([N+](=O)[O-])cc3c1=O)C(=O)c1ccccc1-2 95556214 AINNLKCYXDROLD-UHFFFAOYSA-N 391.383 2.647 10 1 GFCF COC(=O)Cn1nnc(-c2cc(C(C)C)c(O)cc2O)c1-c1ccc(O)c(O)c1 1911581875 LPPSBNYIWVHHLU-UHFFFAOYSA-N 399.403 2.731 10 1 GFCF O=c1cc(-c2ccc(O)cc2)oc2c(CN3CCC[C@H]3CO)c(O)cc(O)c12 72139820 NOSNUBCGTQGZEP-ZDUSSCGKSA-N 383.400 2.534 10 1 GFCF N[C@@H](C(=O)N1CCC[C@H]1C(=O)NCc1cc(Cl)ccc1O)C1CCCCC1 13780841 MBORQLOGQVKOJY-FUHWJXTLSA-N 393.915 2.560 10 1 GFCF COC(=O)c1c2c(n3cc(Br)ccc13)C(=O)c1ncccc1C2=O 72118585 SFTCQWGVDCJOJR-UHFFFAOYSA-N 385.173 2.659 10 1 GFCF COC(=O)c1ccc2[nH]c(C(=O)N3CCN(c4ccc(OC)cc4)CC3)cc2c1 142085439 CRLFRTQFPTXFFZ-UHFFFAOYSA-N 393.443 2.926 10 1 GFCF COC(=O)CCC(=O)Nc1ccc2c3c(n(C)c(=O)c2c1)-c1ccccc1C3=O 95596075 QHQWKHBMSLLEHH-UHFFFAOYSA-N 390.395 2.642 10 1 GFCF C[C@H](/N=N/c1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])c1ccc2c(c1)OCO2 169688295 LBDOGAFCIHYGMP-AVCRYHLVSA-N 378.366 2.816 10 1 GFCF CCO[P@](=O)(O)[C@H](N[C@@H](Cc1ccccc1)C(=O)O)c1ccccc1O 73197467 MZYFGAIYUXYAOB-RDJZCZTQSA-N 379.349 2.898 10 1 GFCF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(O)c(CN3CCOCC3)c1)O2 587400052 OIBLNSNLQZNHMV-JOCHJYFZSA-N 382.460 2.996 10 1 GFCF COc1ccc(-c2ccc(Cc3nnn[nH]3)n2-c2ccc(C(N)=O)cc2C)cc1 73258893 IBGKDBJOJJTRQG-UHFFFAOYSA-N 388.431 2.664 10 1 GFCF O=S1(=O)C[C@H](O)[C@@H](N=Nc2c(O)n(Cc3ccccc3)c3ccccc23)C1 254010505 HRUKRGREPIONPY-RDJZCZTQSA-N 385.445 2.637 10 1 GFCF C[C-](/N=N/c1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])c1ccc2c(c1)OCO2 169693877 NZFNCEFKSTVEHO-ISLYRVAYSA-N 377.358 2.655 10 1 GFCF COc1cc([C@@H]2C[C@@H](O)C[C@H](CCc3ccc(O)c(O)c3)O2)cc(O)c1O 13340635 CDLANTQZSUXRAX-DEYYWGMASA-N 376.405 2.731 10 1 GFCF biogenic,in-vitro COc1c(CC=C(C)C)cc([C@@]2(O)COc3cc(O)ccc3C2=O)c(O)c1O 14648376 SCZBWEBASVFSHF-NRFANRHFSA-N 386.400 2.784 10 1 GFCF biogenic CCN(CC)C(=O)c1cccc(Cn2nnc3c2C(=O)c2ccccc2C3=O)c1 473152934 XLQTVKBGJXZUCR-UHFFFAOYSA-N 388.427 2.584 10 1 GFCF COc1cc(OC)c(-c2oc3cc(OC)c(O)c(O)c3c(=O)c2OC)cc1O 15271487 QRFKXAOHRKLGMS-UHFFFAOYSA-N 390.344 2.611 10 1 GFCF biogenic COc1cc(OC)c2c(=O)cc(N3CCN(Cc4ccc(N)cc4)CC3)oc2c1 653708768 UGWWFQMHLZEFCP-UHFFFAOYSA-N 395.459 2.715 10 1 GFCF C[C@@H](NC(=O)n1sc2ncccc2c1=O)c1ccc(N2CCOCC2)cc1 169711345 AORPAILDQYOXEW-CYBMUJFWSA-N 384.461 2.614 10 1 GFCF CC(C)(C)OC(=O)N1CCC[C@H]1CS(=O)(=O)/C=C/c1ccc(O)c(O)c1 1857607686 CNRMMYWIEAQWFH-PLWJUESGSA-N 383.466 2.883 10 1 GFCF COc1cc(O)c2c(c1O)C(=O)[C@@H]1C[C@@](C)(OCCC(C)C)OC[C@H]1C2=O 2356636252 AOPGIFKQYFONDP-HTGLOVNISA-N 378.421 2.917 10 1 GFCF N=C1C=C(O)c2ccc(-c3nc(C(N)=O)cc4c3[nH]c3ccccc34)nc2C1=O 28530870 UOASSCVCKGCNIO-UHFFFAOYSA-N 383.367 2.992 10 1 GFCF CCN(CC)CCC(=O)Nc1ccc(O)c2c1C(=O)c1cccc(O)c1C2=O 71329223 OZNQOWVYUHQDDT-UHFFFAOYSA-N 382.416 2.544 10 1 GFCF O=C1N=C(Nc2ccc(O)cc2)S/C1=C/c1ccc(N2CCNCC2)cc1 299861260 IAHWEVHLTNWLSR-QGOAFFKASA-N 380.473 2.884 10 1 GFCF CN(C)CCCn1nc2c3c(c(NCCN(C)C)ccc31)C(=O)c1ccncc1-2 27628648 RVDIMCXLFJNTEU-UHFFFAOYSA-N 392.507 2.568 10 1 GFCF C[C@H](CCCNC(=O)OCc1ccccc1)NC[C@@H](O)c1ccc(O)c(O)c1 27720632 SHOIXSXOEGEANU-FOIQADDNSA-N 388.464 2.816 10 1 GFCF COc1cc(OC)c(C(=O)c2cccc(F)c2)c(O)c1CN1CCN(C)CC1 49072645 OGGOGASSIIAXJW-UHFFFAOYSA-N 388.439 2.527 10 1 GFCF Cc1cc(C(N)=O)ccc1-n1c(CCC(=O)O)ccc1-c1ccc(C(N)=O)cc1 73293113 AXVMCFHYRKIKEV-UHFFFAOYSA-N 391.427 2.668 10 1 GFCF COc1ccc(N2CC(NC(=O)c3sc4nnc(C)c(C)c4c3N)C2)cc1 1772657732 DVDUTIZYCRFDOY-UHFFFAOYSA-N 383.477 2.518 10 1 GFCF Cc1oc2c(c1C(=O)Oc1ccc3c(c1)OCO3)C(=O)c1ncccc1C2=O 1857634671 VNCUELJAVMQNGI-UHFFFAOYSA-N 377.308 2.706 10 1 GFCF CCO[P@](=O)(O)[C@@H](N[C@@H](Cc1ccccc1)C(=O)O)c1ccccc1O 73197468 MZYFGAIYUXYAOB-DOTOQJQBSA-N 379.349 2.898 10 1 GFCF COc1cc(O)c2c(c1CC=C(C)CO)O[C@@H](c1ccc(O)c(O)c1)CC2=O 2356574263 SNPYBALVJUBBHC-GOSISDBHSA-N 386.400 3.000 10 1 GFCF COc1ccc(C2=NN(C(=O)Cn3ccnc3)[C@H](c3ccccc3O)C2)cc1 299862595 JWEJXPJOGNOLDE-IBGZPJMESA-N 376.416 2.975 10 1 GFCF O=C(O)CCCCCN1C(=O)[C@H]([C@H]2C(=O)Nc3ccccc32)SC1=S 28863705 CDGWFYDPJMYGGA-KBPBESRZSA-N 378.475 2.596 10 1 GFCF O=C1NC(=O)C(=Cc2cn(C(=O)c3ccc(Cl)cc3)c3ccccc23)C(=O)N1 40880869 FLESBWBYQVGTRX-UHFFFAOYSA-N 393.786 2.733 10 1 GFCF CCOCOc1cccc2c1C(=O)c1c(OCOCC)cc(CO)cc1C2=O 473157163 UEPUXBXJWKWFAQ-UHFFFAOYSA-N 386.400 2.700 10 1 GFCF CN(C)Cc1c(O)c(CN(C)C)c2occ(-c3ccc(O)cc3)c(=O)c2c1O 82154723 RYBFHERUOYJMEJ-UHFFFAOYSA-N 384.432 2.700 10 1 GFCF CC(=O)Nc1ccc(O)c([C@]2(C)N[C@H](C(=O)O)Cc3c2cnc2ccccc32)c1 963224303 MNKQBJPOVXXWFO-UGKGYDQZSA-N 391.427 2.761 10 1 GFCF CC(C)NC[C@H](O)COc1ccc2c(=O)cc(-c3ccc(O)c(O)c3)oc2c1 35983316 QRYFFDBMSXTIHB-AWEZNQCLSA-N 385.416 2.609 10 1 GFCF CCCC1=NN(c2nc3ccccc3s2)C(=O)/C1=C/NCCN1CCOCC1 104030688 LLMZXJRAAKQRBR-CCEZHUSRSA-N 399.520 2.605 10 3 GFCF COc1ccc(C(=O)C(=O)c2cc(OC)c(OC)cc2CCN(C)C)cc1O 14691912 SDAWDMSHWSTCIC-UHFFFAOYSA-N 387.432 2.588 10 1 GFCF biogenic CN1C(=O)C(=Cc2cn(C(=O)c3ccccc3)c3ccccc23)C(=O)N(C)C1=O 40395033 QRCBPJCLMRARCH-UHFFFAOYSA-N 387.395 2.764 10 1 GFCF O=C1c2ccccc2C(=O)c2c1nc(-c1cccs1)n2CCN1CCOCC1 1857638543 WHKFCXWUISMVBV-UHFFFAOYSA-N 393.468 2.719 10 1 GFCF Oc1ccc([C@@H]2c3c(O)cc(O)cc3O[C@H](c3ccc(O)c(O)c3)[C@H]2O)c(O)c1 58582811 HHTOABNBQKDYJW-HLAWJBBLSA-N 398.367 2.547 10 1 GFCF CC(C)=CCC1(CC=C(C)C)C(=O)C(=O)[C@H](O)[C@]12NCCc1ccc(O)cc12 963340326 GOIHOFAJWSVQFR-GMAHTHKFSA-N 383.488 2.945 10 1 GFCF COc1cc(CC[C@H](O)CC(=O)CCc2cc(O)c(O)c(OC)c2)ccc1O 15113779 WCKRDHRSYRZRAX-HNNXBMFYSA-N 390.432 2.706 10 1 GFCF biogenic COc1ccc(N2CCN(CCCNC(=O)CCOC(C)(C)C)CC2)cc1 201468529 YKIZCHLLQNKGKJ-UHFFFAOYSA-N 377.529 2.529 10 3 GFCF O=C(COC(=O)c1ccc(O)c(O)c1)N=c1c2c([nH]c3ccccc13)CCCC2 653853941 HHLCROZHGUNHDB-UHFFFAOYSA-N 392.411 2.742 10 1 GFCF CCCC(=O)c1c(CC(=O)OC)cc2c(c1O)C(=O)[C@H]1C(O)=CC=C[C@@H]1C2=O 2356709801 VPKOCJCXYZKOAS-APPDUMDISA-N 384.384 2.714 10 1 GFCF CCOC(=O)c1c2c(n(-c3ccc(C)cc3)c1N)C(=O)c1ncccc1C2=O 40874488 AIKNBSXDEAKQHR-UHFFFAOYSA-N 375.384 2.715 10 1 GFCF COc1ccccc1-c1n[nH]c(=Nc2ccc(CC(N)=O)cc2O)c2c1CCC2 1857543169 URZCDSBXXWMIIC-UHFFFAOYSA-N 390.443 2.540 10 1 GFCF CC(C)(C)OC(=O)[N+](=N)C(=O)[C@@H]1CCC(=O)N1C(=O)OCc1ccccc1 5714488 MYRIMUXWWHWXLU-ZDUSSCGKSA-N 376.389 2.819 10 1 GFCF Cc1cccc2c3c(ccc12)-c1occ(CN(CCO)CCO)c1C(=O)C3=O 1857628500 GPVLOQWQNKXILU-UHFFFAOYSA-N 379.412 2.574 10 1 GFCF Cc1ccc(C2=NN(c3ccc(S(N)(=O)=O)cc3)[C@@](O)(C(F)(F)F)C2)cc1 146831659 WOIPKPIYBLHJPL-INIZCTEOSA-N 399.394 2.508 10 1 GFCF O=C(Nc1c(C(=O)NCc2ccccc2)cc(O)c(O)c1O)c1ccccc1 96285596 VYQFVFZWQVNTIH-UHFFFAOYSA-N 378.384 2.986 10 1 GFCF CCCCO[C@H]1C[C@@H](C(=O)NCc2ccc(N)cc2)N(C(=O)c2ccco2)C1 4202211 SYCUGKDWSSDAAQ-ROUUACIJSA-N 385.464 2.578 10 1 GFCF CCCC(=O)c1c(CC(=O)OC)cc2c(c1O)C(=O)[C@H]1C(O)=CC=C[C@H]1C2=O 238745381 VPKOCJCXYZKOAS-PIGZYNQJSA-N 384.384 2.714 10 1 GFCF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(O)c(CN3CCOCC3)c1)O2 587400053 OIBLNSNLQZNHMV-QFIPXVFZSA-N 382.460 2.996 10 1 GFCF CCNCCNc1ccc(NCCNCC)c2c1C(=O)c1ccccc1C2=O 5114770 MHUNHBNDEOFKCV-UHFFFAOYSA-N 380.492 2.505 10 1 GFCF CN(C)c1ccc(/C=C2/C[C@](CO)(COC(=O)C3CCCCC3)OC2=O)cc1 40846298 WBUOEZLMAVGYJX-VWOYCULZSA-N 387.476 2.938 10 1 GFCF O=C1/C(=C/c2ccccc2F)SC(=S)N1NS(=O)(=O)c1ccccc1 13680689 KLJROENVNSBZTR-UVTDQMKNSA-N 394.474 2.920 10 1 GFCF Cc1nc(/N=N/c2ccc(C(=O)O)cc2)c(CP(=O)(O)O)c(C=O)c1O 13861564 YJQIQVWZVKKGAR-ISLYRVAYSA-N 379.265 2.699 10 1 GFCF CC1(C)CN(C(=O)c2ccccc2)C[C@H]2CN(Cc3ccccc3O)CCN21 2356302827 DHAOXVHKSWMXNM-HXUWFJFHSA-N 379.504 2.813 10 1 GFCF CC/C=C\C[C@H]1C(=O)CC[C@@H]1CC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O 34660741 QMNCIZZUXQVCBL-OFMMPJDCSA-N 389.448 2.551 10 1 GFCF CC(=O)N1N=C(c2c(O)ccc3c(C)cc(=O)oc23)C[C@H]1c1ccc(O)cc1O 84704442 LBAKDISBUNPJPD-INIZCTEOSA-N 394.383 2.916 10 1 GFCF COc1cc([C@@H]2N[C@@H](C(=O)O)Cc3c2cnc2ccccc32)c(O)c([N+](=O)[O-])c1 963217943 DTWKMWWGONTFEK-AEFFLSMTSA-N 395.371 2.546 10 1 GFCF COc1cc2c3c(c1)O[C@H](c1ccc(O)c(CN4CCN(C)CC4)c1)[C@@H](C2)C3=O 587444449 PWWIZDBEERLSAL-FDDCHVKYSA-N 394.471 2.637 10 1 GFCF COC(=O)[C@H](C)NC(=O)/C=C/c1ccc(O)c2oc(-c3ccc(O)c(O)c3)cc12 1772583950 XJTXWFDHIOZTTB-BWNDKRECSA-N 397.383 2.908 10 1 GFCF COc1cc([C@@H]2c3c(cc(OC)c(O)c3O)C[C@H]3COC[C@H]32)cc(OC)c1O 2356519055 MBBZRCCRPPDOEH-AHIWAGSCSA-N 388.416 2.780 10 1 GFCF Cc1ccc(Cc2c(C)nc3c(C(=O)NC[C@@H]4CCCO4)cnn3c2O)cc1 34858083 LXJFOZNKYIUPRJ-INIZCTEOSA-N 380.448 2.551 10 1 GFCF COc1cc(/C=C\c2nc3ccc(C4=C(C)CC(=O)NN4)cc3[nH]2)cc(O)c1O 587785477 MOUYARBOAHVXRH-UTCJRWHESA-N 392.415 2.909 10 1 GFCF Cc1c(O)ccc2c1[C@@H](c1cc(OC(F)(F)F)ccc1O)N[C@H](C(=O)O)C2 963494277 ZYDXKXUFKXNVTM-BLLLJJGKSA-N 383.322 2.993 10 1 GFCF C/C=C(\C)C(=O)O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1 66258345 VGROGMRGJLDCQI-RZYNZAFVSA-N 388.372 2.769 10 1 GFCF O=c1oc2cc(/C=C/c3ccc(O)c(O)c3)oc(=O)c2c2cc(O)c(O)cc12 14589299 KKEIHFGUYDHUBS-HNQUOIGGSA-N 380.308 2.892 10 1 GFCF biogenic,in-vitro O=C(CCN1CCN(c2ccc(F)cc2)CC1)c1cc(O)c(O)c([N+](=O)[O-])c1 13585743 WFVHRDXPWMREBQ-UHFFFAOYSA-N 389.383 2.540 10 1 GFCF [N-]=[N+]=Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1C[C@H](N)C(=O)O 587628458 TXDRBHOZUDXCQH-QMMMGPOBSA-N 380.248 2.809 10 1 GFCF O=C(NCCc1ccccn1)c1cc(NCc2cc(O)ccc2O)ccc1O 13861845 HDBUXOHSMWIMJN-UHFFFAOYSA-N 379.416 2.783 10 1 GFCF CC(C)(C)[C@@H]1C(=O)C(=O)[C@@H](C(C)(C)C)[C@@]2(NCCc3nc4ccccn4c32)C1=O 962979874 ASOFCWSEFPOLPP-TWWFPWMWSA-N 395.503 2.721 10 1 GFCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3c(O)nc(O)nc3[nH]1)[C@@H]1CC=C[C@@H]21 587276061 IQBODZOAGVFTNI-BREBYQMCSA-N 380.364 2.807 10 1 GFCF [N-]=[N+]=N[C@@H]1[C@H](OCc2ccccc2)[C@H](CO)O[C@H](OCc2ccccc2)[C@@H]1N 40504036 RTWCSZRCSZJIRN-YHDCXSKOSA-N 384.436 2.512 10 1 GFCF COc1cc(OC)c2c(-c3ccccc3)c[nH]c2c1C=C1C(=O)NC(=O)NC1=O 1772616649 DBHGKFHKXRMBNM-UHFFFAOYSA-N 391.383 2.602 10 1 GFCF CCO[P@](=O)(O)[C@H](N[C@@H](Cc1ccc(O)cc1)C(=O)O)c1ccccc1O 73279209 SLILZMOCCRBNOL-RDJZCZTQSA-N 395.348 2.604 10 1 GFCF COc1cc(/C=C\c2nc3ccc(N4CCN(C)CC4)cc3[nH]2)cc(O)c1O 587784952 GFJPIGIHFAYRBN-UTCJRWHESA-N 380.448 2.905 10 1 GFCF CCc1ccc(/C=C2\SC(N[C@@H](c3ccc(F)cc3)c3nn[nH]n3)=NC2=O)o1 28816704 BKZOQCGDCHOGOQ-MZLJFPOFSA-N 398.423 2.844 10 1 GFCF in-vivo Cn1ccc2c(C3=C(c4cn5c6c(cccc46)CNCC5)C(=O)NC3=O)cccc21 28136435 PXIUANZELKPDQX-UHFFFAOYSA-N 396.450 2.803 10 1 GFCF CC(C)=CCC1(CC=C(C)C)C(=O)C(=O)[C@H](O)[C@@]12NCCc1ccc(O)cc12 963340329 GOIHOFAJWSVQFR-JTHBVZDNSA-N 383.488 2.945 10 1 GFCF C[C@@H](CCCNC(=O)OC1CCCCC1)NC[C@H](O)c1ccc(O)c(O)c1 27719070 ROSAPHYGJHZPEE-LIRRHRJNSA-N 380.485 2.948 10 1 GFCF COc1cc2c3c(c1)O[C@@](C=[N+]=[N-])([C@H]1CCCN1C(=O)OC(C)(C)C)[C@@H](C2)C3=O 587433048 MKBXIQFOYUXINY-CMPZQBNXSA-N 399.447 2.882 10 1 GFCF COc1cc2c3c(c1)O[C@](C=[N+]=[N-])([C@H]1CCCN1C(=O)OC(C)(C)C)[C@@H](C2)C3=O 587433049 MKBXIQFOYUXINY-PXARDIRTSA-N 399.447 2.882 10 1 GFCF CC(=O)Nc1ccc(O)c([C@]2(C)N[C@@H](C(=O)O)Cc3c2cnc2ccccc32)c1 963224297 MNKQBJPOVXXWFO-KNQAVFIVSA-N 391.427 2.761 10 1 GFCF COc1cc(OC)c2c(c1)C(=O)c1cc(OC)c3c(=O)cc(C)oc3c1C2=O 29038288 FUZSCLKATPKCGA-UHFFFAOYSA-N 380.352 2.903 10 1 GFCF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@H](c2cc(Br)c(O)cc2O)N1 962894370 IZMPLVROXJCBFM-SWLSCSKDSA-N 382.185 2.688 10 1 GFCF Nn1cnnc1/N=N/Cc1cc(Br)cc(Br)c1O 169691978 XPLHPBZBZOSSHR-FYWRMAATSA-N 376.012 2.506 10 1 GFCF COc1cc(-c2ccc(C(=O)O)c(O)c2)oc1/C=C1\SC(=S)NC1=O 40975463 NBJBMKFZVOUZGZ-MLPAPPSSSA-N 377.399 2.848 10 1 GFCF NCC[C@H]1CCCCN1[C@H]1N=C2c3c(O)cccc3C(=O)c3cccc(c32)O1 96937626 FRJTVIAAXPSDFL-MCMMXHMISA-N 377.444 2.653 10 1 GFCF Cc1cc(N)ccc1/N=N\c1ccc(S(=O)(=O)CCOS(=O)(=O)O)cc1 73259012 OHESCKQZCFTCNA-ZCXUNETKSA-N 399.450 2.586 10 1 GFCF CC(C)(C)n1nnnc1[C@@H](c1cccc(O)c1O)N1CCc2ccccc2C1 1772580387 DCANYRAZLQIHQF-GOSISDBHSA-N 379.464 2.987 10 1 GFCF CCN(CC)CCCNC(=O)c1ccc2c(c1O)C(=O)c1ccccc1C2=O 5846780 BNMBERRDFDOGQR-UHFFFAOYSA-N 380.444 2.629 10 1 GFCF CC=C1C[C@H]2C[C@@]34N(CC[C@@]3(c3cc(OC)c(OC)cc3N4C)[C@@H]2C(=O)OC)C1 2356558782 LVBUXPQQCKLJTH-BCYJOIKISA-N 398.503 2.953 10 1 GFCF C/C=C1\C[C@H]2C[C@]34N(CC[C@]3(c3cc(OC)c(OC)cc3N4C)[C@@H]2C(=O)OC)C1 238788840 LVBUXPQQCKLJTH-MONLFAFASA-N 398.503 2.953 10 1 GFCF COc1cc(CCC(=O)C[C@H](O)CCc2cc(O)c(O)c(OC)c2)ccc1O 15113775 JHWWZAIWXYIMDH-MRXNPFEDSA-N 390.432 2.706 10 1 GFCF biogenic,in-vitro CN(CCO)c1ccc(-c2nc3ncc(I)cc3[nH]2)cc1 587193374 ZUXPSMFRVLFDGW-UHFFFAOYSA-N 394.216 2.658 10 1 GFCF Cn1nccc1CS(=O)(=O)Cc1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 586923299 JEEVVLZPPROLAA-UHFFFAOYSA-N 397.460 2.786 10 1 GFCF Nc1c2ccccc2nc2ccc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)cc12 5538205 AWJKPCXZDCPSTM-UHFFFAOYSA-N 392.440 2.870 10 1 GFCF CN(C)C(=O)c1ccc2c(c1)[C@](C)(c1c(O)ccc3ccc(=O)oc13)NCC2 962928745 SNXVYBJPUUJBEG-JOCHJYFZSA-N 378.428 2.610 10 1 GFCF COc1cc(OC)c(C(=O)c2cccc(F)c2)c(O)c1CN1CCOCC1 49071710 TXYUGGSDJITCKY-UHFFFAOYSA-N 375.396 2.612 10 1 GFCF COc1ccc(N2CCN(CCN3C(=O)CC4(CCCC4)CC3=O)CC2)cc1 13560108 FTBUCOBNSRIEMM-UHFFFAOYSA-N 385.508 2.527 10 1 GFCF CCOc1ccc(N2CCN(c3noc([C@H](C)NC(C)=O)n3)[C@@H](C)C2)c(C)c1 103252716 HRSAPEKZOYYIGR-GJZGRUSLSA-N 387.484 2.689 10 1 GFCF O=C(NCCCNC(=O)c1cc2cc(O)c(O)cc2[nH]1)c1cc2ccccc2[nH]1 473113613 JQEVTTXWULEQMN-UHFFFAOYSA-N 392.415 2.610 10 1 GFCF CCOC(=O)C(=[N+]=[N-])[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587339502 UKAOWEPGGBGDPL-JXFKEZNVSA-N 384.363 2.883 10 1 GFCF O=c1cc(-c2ccc(O)cc2)oc2c(CN3CCC(O)CC3)c(O)cc(O)c12 72125051 OGFOBPGDJXLZLF-UHFFFAOYSA-N 383.400 2.534 10 1 GFCF C[C@H](NC(=O)/C=C/c1ccc(O)c2oc(-c3ccc(O)c(O)c3)cc12)C(=O)O 1772588898 PLOXCJNRUKJVPD-QBBOHKLWSA-N 383.356 2.819 10 1 GFCF CN(C)/N=N\c1ccc2c(c1)C(=O)N(C)Cc1c(C(=O)OC(C)(C)C)ncn1-2 100749636 HZWIRYNNPCVNQT-DQRAZIAOSA-N 384.440 2.974 10 1 GFCF CC(=O)OCO/N=[N+](\[O-])N(C)CCOC(=O)[C@@H](C)c1ccc(CC(C)C)cc1 28649109 SEIAPNZQAXURTQ-FOVZNYCQSA-N 395.456 2.793 10 1 GFCF CS(=O)(=O)NCCCCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2 84689829 ZLZWYXYXWXUXRL-UHFFFAOYSA-N 396.468 2.542 10 1 GFCF CCOC(=O)C(C)(C)Oc1cc(O)c2c(c1)C(=O)c1cc(C)cc(O)c1C2=O 1857558083 CXOQEHYEVVEOLV-UHFFFAOYSA-N 384.384 2.902 10 1 GFCF CCC=CC[C@@H]1C(=O)CC[C@@H]1CC(=O)N[C@H](Cc1ccc(O)c(O)c1)C(=O)O 2356421672 QMNCIZZUXQVCBL-OWCLPIDISA-N 389.448 2.551 10 1 GFCF CCc1ccc(O)c([C@@]2(CCC(=O)O)N[C@H](C(=O)O)Cc3cccc(F)c32)c1 962903150 TXVFPPIAVNRORB-HRAATJIYSA-N 387.407 2.801 10 1 GFCF CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C\N1CCNC[C@H]1C(=O)c1ccco1 1772575133 KPOHUNRFFCQAAF-WBILKINKSA-N 398.850 2.696 10 1 GFCF C/C=C1\C[N+]2([O-])CC[C@@]34c5cc(OC)ccc5N(C)[C@H]3[C@@H]2C[C@@H]1[C@@H]4C(=O)OC 95913518 JNZLOBNRRLPTPF-OGKDOJEJSA-N 384.476 2.607 10 1 GFCF biogenic,in-vitro [N-]=[N+]=N[C@@H]1[C@H](N)[C@H](OCc2ccccc2)O[C@@H](CO)[C@@H]1OCc1ccccc1 253636563 RTWCSZRCSZJIRN-UHZRXMQZSA-N 384.436 2.512 10 1 GFCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3c(O)nc(=N)[nH]c3[nH]1)[C@@H]1CC=C[C@@H]21 587276497 LHUWSIAJDCQHPK-BREBYQMCSA-N 379.380 2.514 10 1 GFCF CCc1ccc(/C=C2\SC(N[C@@H](c3ccccc3)c3nn[nH]n3)=NC2=O)o1 28816696 SZQJZWIPFKEOFK-LTBFUDJGSA-N 380.433 2.705 10 1 GFCF COc1cc(/C=C\c2nc3ccc(CN4CCOCC4)cc3[nH]2)cc(O)c1O 587784855 DNJDAADSQSCFBY-HYXAFXHYSA-N 381.432 2.985 10 1 GFCF CCN(CC)CCNc1ccc2c3c(nn2CCO)-c2ccccc2C(=O)c13 28757544 FXCMBNVLROVBBC-UHFFFAOYSA-N 378.476 2.994 10 1 GFCF O=c1cc(-c2ccc(O)cc2)oc2c(CN3CCC[C@@H](O)C3)c(O)cc(O)c12 72126218 GANKLHMMHRCRMH-CQSZACIVSA-N 383.400 2.534 10 1 GFCF CC(=O)OCO/N=[N+](\[O-])N(C)CCOC(=O)[C@H](C)c1ccc(CC(C)C)cc1 28649105 SEIAPNZQAXURTQ-BQHWHHKNSA-N 395.456 2.793 10 1 GFCF CO[C@@H]1c2cc(C(C)C)c(O)c(O)c2[C@@]23C[C@H](O)CC(C)(C)[C@@H]2[C@H]1OC3=O 2356609121 OPKZBJRGPVMQNF-CKUPWLPOSA-N 376.449 2.883 10 1 GFCF O=C(O)COc1cc(NS(=O)(=O)c2cccs2)c2ccccc2c1O 84668814 QZPUQLPWRDLJGU-UHFFFAOYSA-N 379.415 2.871 10 1 GFCF CO[C@H]1c2cc(C(C)C)c(O)c(O)c2[C@@]23C[C@@H](O)CC(C)(C)[C@@H]2[C@@H]1OC3=O 238788739 OPKZBJRGPVMQNF-JVMXXWMSSA-N 376.449 2.883 10 1 GFCF Cc1nn(C)c2c1-c1cnc(N)c(c1)OCc1cc(F)ccc1C(=O)N(C)C2 145044924 KTZLYUTXTQABMN-UHFFFAOYSA-N 381.411 2.676 10 1 GFCF CN(C)C(=O)c1ccc2c(c1)[C@@](C)(c1c(O)ccc3ccc(=O)oc13)NCC2 962928747 SNXVYBJPUUJBEG-QFIPXVFZSA-N 378.428 2.610 10 1 GFCF CC=C1C[C@H]2C[C@@]34N(CC[C@]3(c3cc(OC)c(OC)cc3N4C)[C@@H]2C(=O)OC)C1 2356558784 LVBUXPQQCKLJTH-IINBLNPLSA-N 398.503 2.953 10 1 GFCF N=C(N)c1ccc(N2CCN(c3ccc(OCCCC(=O)O)cc3)CC2)cc1 29320648 VAVWDLFZQRNDFL-UHFFFAOYSA-N 382.464 2.541 10 1 GFCF CN(C)N=Nc1ccc2c(c1)C(=O)N(C)Cc1c(C(=O)OC(C)(C)C)ncn1-2 253632855 HZWIRYNNPCVNQT-UHFFFAOYSA-N 384.440 2.974 10 1 GFCF CCOc1ccc2c(c1)C(=O)c1c-2n(CCCN)c(=O)c2cc([N+](=O)[O-])ccc12 28711238 YLOQTBDRXCXHRS-UHFFFAOYSA-N 393.399 2.869 10 1 GFCF NC(=O)N1CCc2sccc2C1(c1ccc(O)cc1O)c1ccc(O)cc1O 962715547 SDFKFWGTQAUGFW-UHFFFAOYSA-N 398.440 2.799 10 1 GFCF CCCCO[C@@H]1C[C@@H](C(=O)NCc2ccc(N)cc2)N(C(=O)c2ccco2)C1 4202210 SYCUGKDWSSDAAQ-MSOLQXFVSA-N 385.464 2.578 10 1 GFCF O=C(O)c1cc2c(-c3c(O)c(O)cc4cc(C(=O)O)[nH]c34)c(O)c(O)cc2[nH]1 85598789 MTPMCBLEYQKBMW-UHFFFAOYSA-N 384.300 2.535 10 1 GFCF in-vitro O=C1c2ccccc2C(=O)c2c1nnn2CCCCCCCCP(=O)(O)O 1857538165 DMZKQQQJKLHRPL-UHFFFAOYSA-N 391.364 2.572 10 1 GFCF CCCCNC(=O)c1cc(=O)c(O)c2c(O)c(O)c(Br)cc2c1 1857580319 GJSSKQZDTRMPGM-UHFFFAOYSA-N 382.210 2.609 10 1 GFCF CN1CCN(C)c2cc(Cn3cc(C(=O)O)c(=O)c4c(F)cccc43)ccc21 71332261 FUONPAINKKGZNR-UHFFFAOYSA-N 381.407 2.773 10 1 GFCF CC[C@@H]1C[C@@H](O)c2cc3c(cc2[C@@H]1C(=O)OC)C(=O)c1cccc(O)c1C3=O 2356488718 XUBCDSRVBOHFKE-AQQIJUCISA-N 380.396 2.888 10 1 GFCF CC=C1C[C@H]2C[C@@]34N(CC[C@@]3(c3cc(OC)c(OC)cc3N4C)[C@H]2C(=O)OC)C1 2356558781 LVBUXPQQCKLJTH-APQCTARYSA-N 398.503 2.953 10 1 GFCF CC(C)(C)OC(=O)N1CCC(n2nnc3c2C(=O)c2ccccc2C3=O)CC1 59045046 MOUIRKIYQQVOCJ-UHFFFAOYSA-N 382.420 2.626 10 1 GFCF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(O)c(CN3CCN(C)CC3)c1)O2 587399647 MBMICUMEEPOMDA-NRFANRHFSA-N 381.476 2.737 10 1 GFCF CCOC(=O)c1c(NC(=O)C[C@@H]2SC(=N)NC2=O)sc2c1CCCCC2 45245142 IQOPQHZMWKQYQF-NSHDSACASA-N 395.506 2.689 10 1 GFCF CNC[C@]1(c2ccc(O)c(O)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 587754426 JPNMBIWVNNGYAX-MLCYQJTMSA-N 395.272 2.997 10 1 GFCF O=S1(=O)C[C@@H](O)[C@@H](/N=N\c2c(O)n(Cc3ccccc3)c3ccccc23)C1 169298249 HRUKRGREPIONPY-FHNDLKNYSA-N 385.445 2.637 10 1 GFCF COc1cc([C@H]2N[C@H](C(=O)O)Cc3cc(C)c(O)cc32)ccc1N1CCCC1 963487769 DAZNHJLEVNMHNT-LAUBAEHRSA-N 382.460 2.998 10 1 GFCF COC(=O)C(=O)C[C@]1(c2ccccc2O)c2c(F)cccc2C[C@@H]2CCCN21 963104464 ULIDCQZIGNMMON-NYHFZMIOSA-N 383.419 2.928 10 1 GFCF COc1cc(OC)c(C(=O)c2ccccc2F)c(O)c1CN1CCOCC1 49073435 UZDZWAOQFINVAM-UHFFFAOYSA-N 375.396 2.612 10 1 GFCF COC(=O)C(=O)C[C@@]1(c2ccccc2O)c2c(F)cccc2C[C@@H]2CCCN21 963104465 ULIDCQZIGNMMON-OYHNWAKOSA-N 383.419 2.928 10 1 GFCF [N-]=[N+]=NCCCCCCc1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1 587260540 SUTXIVVFSWRYNC-UHFFFAOYSA-N 399.499 2.726 10 1 GFCF CCOC(=O)/C=C/c1cc(NS(=O)(=O)c2cccs2)c2c(c1O)OCO2 209544475 GFCZUPDCDRTINM-AATRIKPKSA-N 397.430 2.560 10 1 GFCF Cc1oc2c(c1C(=O)NCCCCn1ccnc1)C(=O)c1ccccc1C2=O 1911574760 YRMZXLYSGCHRMH-UHFFFAOYSA-N 377.400 2.770 10 1 GFCF Cc1c(CC(=O)O)cc(-c2ccc(S(N)(=O)=O)cc2)n1-c1ccc(F)cc1 299867649 QMJWCYKZZNECLK-UHFFFAOYSA-N 388.420 2.866 10 1 GFCF COc1cc([C@@H]2c3c(cc(OC)c(O)c3O)C[C@@H]3COC[C@@H]32)cc(OC)c1O 2356519057 MBBZRCCRPPDOEH-IGCXYCKISA-N 388.416 2.780 10 1 GFCF COc1cc(C[C@H](O)c2ccc(N3CCOCC3)cc2)c([N+](=O)[O-])cc1OC 1857760831 ZHWMPORJGCWRDL-SFHVURJKSA-N 388.420 2.725 10 1 GFCF CC(=O)C(=[N+]=[N-])C(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1 28006445 OGGWPMZPDPHXSY-UHFFFAOYSA-N 390.487 2.987 10 1 GFCF CCOC(=O)C[C@H](OC(=O)C=Cc1ccc(O)c(O)c1)c1ccc(O)c(O)c1 2356451471 HGNBCZFZBKBJMT-SFHVURJKSA-N 388.372 2.760 10 1 GFCF O=C(Cc1ccc(O)c(CN2CCCC2)c1)OC[C@H]1COc2ccccc2O1 26497386 QSWPKTDDIISGFL-GOSISDBHSA-N 383.444 2.914 10 1 GFCF CC(=O)N1N=C(c2c(O)ccc3c(C)cc(=O)oc23)C[C@@H]1c1ccc(O)c(O)c1 84728592 PKFDMPCBBRPKOD-OAHLLOKOSA-N 394.383 2.916 10 1 GFCF CC(C)[C@@]1(N=[N+]=[N-])Oc2c(cc3ccc(=O)oc3c2CN2CCN(C)CC2)C1=O 473089537 RLXPLCDUYJGSNC-HXUWFJFHSA-N 397.435 2.778 10 1 GFCF Nc1ncc(-c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)cc1[N+](=O)[O-] 587267871 HMTORIBNRKPKOP-UHFFFAOYSA-N 385.339 2.891 10 1 GFCF Cc1cc(N2C(=O)CCC2=O)c2oc(-c3ccc(O)c(O)c3)c(O)c(=O)c2c1 28822437 CBJSWSPZVPRGHX-UHFFFAOYSA-N 381.340 2.539 10 1 GFCF CCCCO[C@@H]1C[C@H](C(=O)NCc2ccc(N)cc2)N(C(=O)c2ccco2)C1 4202208 SYCUGKDWSSDAAQ-QZTJIDSGSA-N 385.464 2.578 10 1 GFCF O=C1c2c(ccc(O)c2O)CN1Cc1cccc(I)c1 42922607 LBHIXQAIKPAODI-UHFFFAOYSA-N 381.169 2.858 10 1 GFCF CC(C)(C)[C@@H]1C(=O)C(=O)[C@@H](C(C)(C)C)[C@]2(NCCc3nc4ccccn4c32)C1=O 962979865 ASOFCWSEFPOLPP-KFCXZAFISA-N 395.503 2.721 10 1 GFCF Cc1cc(C)n(C(=O)N[C@H]2C[C@H]3c4cccc5c4c(cn5C)C[C@@H]3N(C)C2)n1 2029589 WGPJQOGQDROQGQ-QRFRQXIXSA-N 377.492 2.962 10 1 GFCF in-man COc1ccc(C(=O)C(=O)c2cc(OC)c(OC)c(OC)c2)cc1OC(C)=O 29047653 ITVCJUFUDQFEFJ-UHFFFAOYSA-N 388.372 2.712 10 1 GFCF COc1ccc(N2CCN(c3ccc(NC(=O)CCC(=O)O)cc3)CC2)cc1 627271 AUTYZDHNRZWTEZ-UHFFFAOYSA-N 383.448 2.825 10 1 GFCF [N-]=[N+]=NC[C@H]1O[C@H](n2c(Cl)nc3cc(Cl)c(Cl)cc32)[C@H](O)[C@@H]1O 27870214 SROWZQCSLLTUQL-DBIOUOCHSA-N 378.603 2.926 10 1 GFCF O=c1cc(-c2ccc(O)cc2)oc2c(CN3CCC(CO)CC3)c(O)cc(O)c12 72124716 YWKNDUOUXKTDLA-UHFFFAOYSA-N 397.427 2.781 10 1 GFCF CCO[P@](=O)(O)[C@@H](N[C@@H](Cc1ccc(O)cc1)C(=O)O)c1ccccc1O 73279213 SLILZMOCCRBNOL-DOTOQJQBSA-N 395.348 2.604 10 1 GFCF COc1cc2c3c(n(CCCN)c(=O)c2cc1OC)-c1ccc(F)cc1C3=O 28711304 SEPGHKZQSBMYGK-UHFFFAOYSA-N 382.391 2.718 10 1 GFCF NCCCNc1c2c(c(NCCCN)c3occc13)C(=O)c1ccccc1C2=O 653808767 TZTRELHYVWTUGS-UHFFFAOYSA-N 392.459 2.730 10 1 GFCF COc1cccc2c1ccc1nc3ccc(O)c(C(=O)NCCN(C)C)c3nc12 27849562 MSCBHPWVZOZTCR-UHFFFAOYSA-N 390.443 2.942 10 1 GFCF COc1ccc(N2CCN(c3ncc4c(n3)CCN(CC(C)C)C4)CC2)cc1 21640121 DROXIZVSNGAWLR-UHFFFAOYSA-N 381.524 2.826 10 1 GFCF COc1ccc(N2CCN(CCCN3CCc4ccccc4C3=O)CC2)cc1 40916278 DCVQVRPQZMOKQX-UHFFFAOYSA-N 379.504 2.906 10 1 GFCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3c(O)nc(O)nc3[nH]1)[C@@H]1CC=C[C@H]21 587276063 IQBODZOAGVFTNI-CWSCBRNRSA-N 380.364 2.807 10 1 GFCF [N-]=[N+]=N[C@H]1[C@H](OCc2ccccc2)[C@H](CO)O[C@@H](OCc2ccccc2)[C@H]1N 194889543 RTWCSZRCSZJIRN-CENDIDJXSA-N 384.436 2.512 10 1 GFCF CC(=O)Oc1cc(OC(C)=O)c2c(c1)C(=O)c1ccc(C)c(OC(C)=O)c1C2=O 13454711 IUQHMGOAVMOIMT-UHFFFAOYSA-N 396.351 2.546 10 1 GFCF c1cc(-c2nc(N3CCOCC3)nc3c2CCN3c2ccncc2)c2[nH]ncc2c1 95597446 FZJDGWASYASXGQ-UHFFFAOYSA-N 399.458 2.946 10 1 GFCF Cc1cc(O)c(C2=NN(S(N)(=O)=O)[C@H](c3ccccc3O)C2)c(C)c1Cl 299861151 KPCDVYKLILPJBJ-ZDUSSCGKSA-N 395.868 2.723 10 1 GFCF Cc1c(CCN2CCOCC2)c2cc(Cl)ccc2n1CC(=O)NC1CC1 1857602861 QCXKERVTVQMFEV-UHFFFAOYSA-N 375.900 2.756 10 1 GFCF COC(=O)c1cc([C@H]2NC[C@H]3CC(=O)N(C)c4cccc2c43)ccc1N(C)C 963022299 ILHTYCHVFFZBDB-SPLOXXLWSA-N 379.460 2.682 10 1 GFCF O=C1c2c(O)cccc2C(C(=O)Cc2ccc(O)c(O)c2)c2cccc(O)c21 13732239 WLJMSLDCWDONHA-UHFFFAOYSA-N 376.364 2.997 10 1 GFCF Cc1c(O)ccc2c1[C@H](c1cc(O)c(O)c(Br)c1)N[C@H](C(=O)O)C2 963466790 FNFDWIAZYJEAAJ-NHYWBVRUSA-N 394.221 2.563 10 1 GFCF Cc1cccc2c(NCCN(C)C)c3cccc(C(=O)NCCN(C)C)c3nc12 5848827 VAMZOZCYVTXDBQ-UHFFFAOYSA-N 393.535 2.961 10 1 GFCF CN1CCN(C[C@H](O)COc2ccc3c(c2)CCCN3Cc2ccccc2)CC1 40848174 AGACSDFOWHKWCY-QFIPXVFZSA-N 395.547 2.627 10 1 GFCF CC[C@@H]1C[C@H](O)c2cc3c(cc2[C@@H]1C(=O)OC)C(=O)c1cccc(O)c1C3=O 2356488719 XUBCDSRVBOHFKE-KTTLUUMZSA-N 380.396 2.888 10 1 GFCF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(O)c(CN3CCN(C)CC3)c1)O2 587399648 MBMICUMEEPOMDA-OAQYLSRUSA-N 381.476 2.737 10 1 GFCF Nc1c2ccccc2nc2c(C(=O)Nc3ccc(S(N)(=O)=O)cc3)cccc12 5811105 OTASDWCIGPIJIO-UHFFFAOYSA-N 392.440 2.870 10 1 GFCF Cc1ccc(-c2cc(-c3cc(O)c(O)c([N+](=O)[O-])c3)on2)c(N2CCOCC2)n1 49068508 WGUKMWLBAFURLB-UHFFFAOYSA-N 398.375 2.868 10 1 GFCF CCn1c(=O)c2cn[nH]c2c2ccc(-c3ccccc3NS(C)(=O)=O)cc21 205096707 MDEQBBOPZINYMI-UHFFFAOYSA-N 382.445 2.936 10 1 GFCF O=c1c2cc(O)c(O)cc2c2cc(O)c(O)cc2n1Cc1cccc([N+](=O)[O-])c1 64564952 FCQPHPQKBDBVLA-UHFFFAOYSA-N 394.339 2.934 10 1 GFCF Nc1c(S(=O)(=O)O)cc(NC2CCCC2)c2c1C(=O)c1ccccc1C2=O 45369400 IJIFYLLIFLAPHW-UHFFFAOYSA-N 386.429 2.645 10 1 GFCF CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)[C@@H](N=[N+]=[N-])c2cc3ccccc3nc2-1 40979771 CCRJKBQKOYNBPL-XLIONFOSSA-N 389.371 2.889 10 1 GFCF CNC[C@@]1(c2ccc(O)c(O)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 587758026 WOPQJCOPBSAZTG-MGNBDDOMSA-N 395.272 2.997 10 1 GFCF C[C@@H]1CN(CCc2ccccc2)CC[C@@]12C(=O)C(=[N+]=[N-])C(=O)N2c1ccccc1 28009215 WOKMWIZRQAPJLZ-HXOBKFHXSA-N 388.471 2.596 10 1 GFCF CN1CCN(c2ccc(-c3cc4c(Cl)cc(C(N)=O)nc4n3C)cc2)CC1 1772651269 ZHUIPHDJCHSZFK-UHFFFAOYSA-N 383.883 2.744 10 1 GFCF Cc1c(C)c(C)[n+]([O-])c(Cl)c1-c1noc(-c2cc(O)c(O)c([N+](=O)[O-])c2)n1 34892979 GCSAPSVENNHLNN-UHFFFAOYSA-N 392.755 2.935 10 1 GFCF CC[C@H]1CCc2c(O)c3c(c(O)c2[C@H]1C(=O)OC)C(=O)c1cccc(O)c1C3=O 5933013 LHFDKPDGYRDMGT-ZANVPECISA-N 396.395 2.808 10 1 GFCF COc1ccc(CN2CCC[C@H](n3cc(C(=O)NC4CCCC4)nn3)C2)c(O)c1 12080241 JZBDYCMBOWBSIO-KRWDZBQOSA-N 399.495 2.502 10 1 GFCF CC1(C)CN(C(=O)c2ccccc2F)C[C@H]2CN(Cc3ccccc3O)CCN21 2356397457 NHLHONICZJAUEB-GOSISDBHSA-N 397.494 2.952 10 1 GFCF CCOC(=O)c1cc([C@@H]2CCN(Cc3ccccc3)C2=S)c(C(=O)C=[N+]=[N-])[nH]1 5922197 RBAZKGNYSIOSAW-AWEZNQCLSA-N 396.472 2.992 10 1 GFCF c1nc(CC2CCN(CCCOc3ccc(N4CCNCC4)cc3)CC2)c[nH]1 28570810 FGECVSKXMKBAEP-UHFFFAOYSA-N 383.540 2.543 10 1 GFCF CC(=O)Oc1cc(C)c2c(c1)C(=O)c1cc(OC(C)=O)cc(OC(C)=O)c1C2=O 14814188 LNPVGRQMEVKORF-UHFFFAOYSA-N 396.351 2.546 10 1 GFCF biogenic COc1ccc(N2CCN(CCCn3cnc4c(SC)ncnc43)CC2)cc1 61922459 KOSNQUWGSGEPDL-UHFFFAOYSA-N 398.536 2.769 10 3 GFCF CCc1oc2c(c1C(=O)NCCCn1ccnc1)C(=O)c1ccccc1C2=O 1911585280 YYQJDTHRDSJPPW-UHFFFAOYSA-N 377.400 2.634 10 1 GFCF O=C1c2c(cc(O)c(-c3ccc(O)c(O)c3)c2O)O[C@@H]1Cc1ccc(O)c(O)c1 1857637662 RTVKMNQZELFGRP-QGZVFWFLSA-N 396.351 2.774 10 1 GFCF CCc1ccc(/C=C2\SC(N[C@H](Cc3nn[nH]n3)c3ccccc3)=NC2=O)o1 28816705 RROXBKQTNPYOBX-CCAPLTMGSA-N 394.460 2.899 10 1 GFCF COc1cc2ncnc(N3CCN[C@H](c4ccc(N(C)C)cc4)C3)c2cc1OC 96168424 DXRZESFNPPSWAJ-IBGZPJMESA-N 393.491 2.864 10 1 GFCF COc1ccc(OC)c2c1C[C@H](C)N[C@@]2(CNC(C)C)c1ccc(O)c(O)c1 963603245 BXEBXDIECBPFGZ-FPTDNZKUSA-N 386.492 2.891 10 1 GFCF CCn1c2c(c3cc(OC)c(OC)cc3c1=O)C(=O)c1cc3c(cc1-2)OCO3 13652367 HNHFPJGAYCKXBP-UHFFFAOYSA-N 379.368 2.979 10 1 GFCF COc1ccc(N2CCN(C(=O)c3cc4cc(C(=O)O)ccc4[nH]3)CC2)cc1 142052133 CKKZNPZWHVNQKG-UHFFFAOYSA-N 379.416 2.837 10 1 GFCF O=C1c2cccnc2C(=O)c2c1c(C(=O)OCCc1ccccn1)c1ccccn21 473124841 XHSLXZCUAQQCEJ-UHFFFAOYSA-N 397.390 2.904 10 1 GFCF COc1ccc2c(c1)C1=NCCN(CCN(C)C)c3ccc([N+](=O)[O-])c(c31)N2 5733972 XZVIJFPIDPGCFT-UHFFFAOYSA-N 381.436 2.879 10 1 GFCF O=S1(=O)C[C@H](O)[C@@H](/N=N\c2c(O)n(Cc3ccccc3)c3ccccc23)C1 13122204 HRUKRGREPIONPY-CMCRNEBISA-N 385.445 2.637 10 1 GFCF Oc1ccc([C@H]2CNCCc3c2cc(O)c(O)c3I)cc1 26398113 CIEGSBJGXDAFQX-CYBMUJFWSA-N 397.212 2.686 10 1 GFCF O=S1(=O)C[C@H](O)[C@@H](/N=N/c2c(O)n(Cc3ccccc3)c3ccccc23)C1 101925656 HRUKRGREPIONPY-JPHBCGMVSA-N 385.445 2.637 10 1 GFCF COc1ccc(CN2CCC[C@@H]2c2nc(C3=CN[C](N(C)C)C=C3)no2)c(O)c1 2356595918 XQRGRACQGGTNKR-QGZVFWFLSA-N 396.471 2.672 10 1 GFCF COc1cc(C[C@@H]2NCCc3c(F)c(O)c(O)c(F)c32)cc(OC)c1OC 13449120 JSUCHNUEMCJTOS-NSHDSACASA-N 381.375 2.831 10 1 GFCF COc1ccc(N2CCN(C(=O)CNc3ccc(C(C)=O)cc3)CC2)cc1OC 144847670 PGFXHHOASPWTPL-UHFFFAOYSA-N 397.475 2.667 10 1 GFCF O=[N+]([O-])c1cc(CN2CCN(Cc3ccncc3)CC2)c(O)c2ncccc12 95596109 CWTZHTJQUAOVQY-UHFFFAOYSA-N 379.420 2.561 10 1 GFCF CCN(CC)CCNc1ccc2c3c(nn2C)-c2c(O)ccc(O)c2C(=O)c13 28758132 KSCIRLBXCMRRFG-UHFFFAOYSA-N 380.448 2.950 10 1 GFCF Cc1nc(/N=N\c2ccc(C(=O)O)cc2)c(COP(=O)(O)O)c(C=O)c1O 101149031 NPBWMMRUXMTIRC-ZCXUNETKSA-N 395.264 2.631 10 1 GFCF Cc1cc(C)[n+]([O-])c(Cl)c1-c1noc(-c2cc(O)c(O)c([N+](=O)[O-])c2)n1 34892877 PYDUEGNRNIIPDU-UHFFFAOYSA-N 378.728 2.627 10 1 GFCF COc1cc(/C=C/c2nc3ccc(N4CCN(C)CC4)cc3[nH]2)cc(O)c1O 587784953 GFJPIGIHFAYRBN-ZZXKWVIFSA-N 380.448 2.905 10 1 GFCF O=C(O)C[C@H]1CCN(Cc2ccccc2O)C[C@H]1Cc1nc2cnccc2[nH]1 2356604838 ICTFKQOWAMVZJB-GDBMZVCRSA-N 380.448 2.819 10 1 GFCF COc1cc2cc3c(c(O)c2c(C)c1C(=O)O)C(=O)c1c(O)cc(O)cc1C3=O 14722057 DDDYQSFRRIYBIP-UHFFFAOYSA-N 394.335 2.747 10 1 GFCF biogenic CCC(CC)c1nc2c(n1CCN1CCOCC1)C(=O)c1ccccc1C2=O 1857751661 RZXMCXSOUJFXBF-UHFFFAOYSA-N 381.476 2.894 10 1 GFCF COc1cc([C@@H]2C[C@@H](O)C[C@@H](CCc3ccc(O)cc3)O2)c(CO)c(O)c1O 2356479080 BXDGMKAIMSFREK-DAYGRLMNSA-N 390.432 2.518 10 1 GFCF COc1ccc2c(c1)c(CCN1CCOCC1)c(C)n2CC(=O)N1CCCCC1 1857611910 ZFFWQZGKXIDOFL-UHFFFAOYSA-N 399.535 2.846 10 1 GFCF O=C(Oc1ccccc1OC(=O)c1ccc(O)c(O)c1)c1ccc(O)c(O)c1 202703712 YEZSMURHRUWUQE-UHFFFAOYSA-N 382.324 2.947 10 1 GFCF COc1cc(O)c2c(c1)OC(C)(C)C[C@@]21N[C@H](C(=O)O)Cc2cc(F)ccc21 962925600 WFOJAVKJIBCTIU-BTYIYWSLSA-N 387.407 2.944 10 1 GFCF CCOC(=O)Nc1cc2c(c(N)n1)N=C(CN(C)c1ccc(OC)cc1)CN2 25998546 JXRPMBFHIKMFHG-UHFFFAOYSA-N 384.440 2.875 10 1 GFCF COc1ccc(C(=O)NCC(=O)/N=N\c2c(O)n(C)c3ccccc23)cc1OC 18192666 ZASCUKSAKIQGQA-FCQUAONHSA-N 396.403 2.941 10 1 GFCF C/C=C1/C[N+]2([O-])CC[C@@]34c5cc(OC)ccc5N(C)[C@H]3[C@@H]2C[C@@H]1[C@H]4C(=O)OC 136887756 JNZLOBNRRLPTPF-SFXJXQFTSA-N 384.476 2.607 10 1 GFCF COc1ccc(OC)c2c1C[C@H](C)N[C@@H]2c1ccc(N2CCOCC2)cc1O 963639608 VXNQANMWBUBCMY-RCDICMHDSA-N 384.476 2.870 10 1 GFCF CSc1nn(-c2ccc(N)cc2)c2cc(C(=O)NC3CCNCC3)ccc12 169706031 WUMMARYEHBCRIN-UHFFFAOYSA-N 381.505 2.811 10 1 GFCF CCCCC(=O)c1c(CC(=O)OC)cc2c(c1O)C(=O)c1c(O)cccc1C2=O 13378461 AEDYCMURUGEFML-UHFFFAOYSA-N 396.395 2.962 10 1 GFCF biogenic,in-vitro Cn1cc(/C=C2\C(=O)NN=C2c2cnccn2)c2c(Br)cccc21 36338806 VFACNRBXTRCDIR-XFFZJAGNSA-N 382.221 2.648 10 1 GFCF CCc1ccc(/C=C2\SC(N[C@H](c3ccccc3)c3nn[nH]n3)=NC2=O)o1 28816698 SZQJZWIPFKEOFK-BAAYTWLHSA-N 380.433 2.705 10 1 GFCF COc1cc(O)c2c(c1CC=C(C)CO)O[C@H](c1ccc(O)c(O)c1)CC2=O 2356574264 SNPYBALVJUBBHC-SFHVURJKSA-N 386.400 3.000 10 1 GFCF [N-]=[N+]=N[C@H]1[C@@H](N)[C@@H](OCc2ccccc2)O[C@@H](CO)[C@@H]1OCc1ccccc1 40504038 RTWCSZRCSZJIRN-WPVAHCMFSA-N 384.436 2.512 10 1 GFCF CN(C)CCCNc1ccc(NCCCCN)c2c1C(=O)c1ccccc1C2=O 28770037 JXADLOPDGNZPNH-UHFFFAOYSA-N 394.519 2.976 10 1 GFCF Oc1cc(O)c(Oc2cc(O)c(Oc3cc(O)c(O)c(O)c3)c(O)c2)c(O)c1 14773814 VCOLWFNFLHKAMZ-UHFFFAOYSA-N 390.300 2.916 10 1 GFCF biogenic COc1cc2c3c(c1)O[C@]1(C(=O)N(CCN=[N+]=[N-])c4ccccc41)[C@@H](C2)C3=O 587432218 ILXFFURXEXTTLW-XOBRGWDASA-N 376.372 2.995 10 1 GFCF CC(C)(C)OC(=O)N1CCC[C@@H]1CS(=O)(=O)/C=C/c1ccc(O)c(O)c1 1857607687 CNRMMYWIEAQWFH-QSYFUGGGSA-N 383.466 2.883 10 1 GFCF COC(=O)c1sccc1OC(=O)c1c(C)oc2c1C(=O)c1ncccc1C2=O 1857750437 DETVJSQZJZSXSK-UHFFFAOYSA-N 397.364 2.826 10 1 GFCF C/C=C1\C[C@H]2C[C@@]34N(C)c5ccc(OC)cc5[C@@]3(CC[N+]4([O-])C1)[C@@H]2C(=O)OC 238786100 GNUROZRCZICVGZ-PVCCGMCZSA-N 384.476 2.957 10 1 GFCF COC(=O)C(=O)C[C@]1(c2ccccc2O)c2c(F)cccc2C[C@H]2CCCN21 963104467 ULIDCQZIGNMMON-QRQCRPRQSA-N 383.419 2.928 10 1 GFCF CNC[C@]1(c2ccc(O)c(O)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587758028 WOPQJCOPBSAZTG-XTZNXHDOSA-N 395.272 2.997 10 1 GFCF CC(C)(C)[C@@H]1C(=O)C(=O)[C@H](C(C)(C)C)[C@@]2(NCCc3nc4ccccn4c32)C1=O 962979880 ASOFCWSEFPOLPP-YLEKAMJDSA-N 395.503 2.721 10 1 GFCF COc1ccc(N2CCN(CC[C@@H]3OCCc4cc(C(N)=O)ccc43)CC2)cc1 13779784 OCFFXDBBLHVFSW-QFIPXVFZSA-N 395.503 2.620 10 1 GFCF CNC[C@@]1(c2ccc(O)c(O)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587754435 JPNMBIWVNNGYAX-YPMLDQLKSA-N 395.272 2.997 10 1 GFCF O=C(Cc1ccc(O)c(CN2CCCC2)c1)OC[C@@H]1COc2ccccc2O1 26497381 QSWPKTDDIISGFL-SFHVURJKSA-N 383.444 2.914 10 1 GFCF C[C@@H](CCCOC(=O)NC1CCCCC1)NC[C@@H](O)c1ccc(O)c(O)c1 27725558 RAOFRCCWFCMYBI-IFXJQAMLSA-N 380.485 2.948 10 1 GFCF Cc1csc2c(NCCN)c3c(c(NCCN)c12)C(=O)c1ccccc1C3=O 40894208 YCMLNQAYTJHLRJ-UHFFFAOYSA-N 394.500 2.726 10 1 GFCF COC(=O)c1cc(Cl)c2[nH]c(-c3cc(NS(C)(=O)=O)ccc3O)nc2c1 586949348 UKZZQCACFPMAGD-UHFFFAOYSA-N 395.824 2.747 10 1 GFCF CN1C(=O)C(=Cc2ccc(-c3ccc4c(c3)COC4=O)s2)C(=O)N(C)C1=O 73221204 LSWWNGMRAACSGJ-UHFFFAOYSA-N 382.397 2.519 10 1 GFCF COC(=O)c1c(OC(C)=O)ccc2c1c1c(n2C)C(=O)c2ccccc2C1=O 1663205 VMJOJQRDSMBNTK-UHFFFAOYSA-N 377.352 2.666 10 1 GFCF CCCCO[C@H]1C[C@H](C(=O)NCc2ccc(N)cc2)N(C(=O)c2ccco2)C1 4202209 SYCUGKDWSSDAAQ-ZWKOTPCHSA-N 385.464 2.578 10 1 GFCF CC(C)(C)NC[C@H](O)COc1ccc2c(=O)cc(-c3ccc(O)c(O)c3)oc2c1 35943124 RUWKGRBITDJJSK-AWEZNQCLSA-N 399.443 2.999 10 1 GFCF CC1=NN(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)[C@@H](c2ccccc2O)C1 71340438 HMSFBHVDDUACRP-QGZVFWFLSA-N 389.433 2.996 10 1 GFCF O=C(NC1CCN(C(=O)c2ccc(O)c(O)c2)CC1)c1cc(Cl)c(Cl)[nH]1 1772609601 VRNUVVCCTADESR-UHFFFAOYSA-N 398.246 2.767 10 1 GFCF COC(=O)c1ccc2c3c(n(CCCN(C)C)c(=O)c2c1)-c1ccccc1C3=O 95583144 OGITUWZDIZDFPN-UHFFFAOYSA-N 390.439 2.951 10 1 GFCF CCCN1CCN(c2ccc3c(c2)CCN3S(=O)(=O)c2ccccc2)CC1 1857580460 FROJMJFJUZFRPE-UHFFFAOYSA-N 385.533 2.970 10 1 GFCF CC(=O)Nc1ccc(O)c([C@@]2(C)N[C@@H](C(=O)O)Cc3c2cnc2ccccc32)c1 963224294 MNKQBJPOVXXWFO-DENIHFKCSA-N 391.427 2.761 10 1 GFCF Oc1cc(O)c(Oc2cc(O)c(O)c(Oc3cc(O)c(O)c(O)c3)c2)c(O)c1 14682135 XJEGUBUMNJQOJC-UHFFFAOYSA-N 390.300 2.916 10 1 GFCF biogenic C/C=C1/C[N+]2([O-])CC[C@@]34c5cc(OC)ccc5N(C)[C@H]3[C@@H]2C[C@@H]1[C@@H]4C(=O)OC 95913517 JNZLOBNRRLPTPF-NKSPYJHVSA-N 384.476 2.607 10 1 GFCF biogenic,in-vitro Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3c(O)nc(O)nc3[nH]1)[C@H]1CC=C[C@@H]21 587276066 IQBODZOAGVFTNI-NRUUGDAUSA-N 380.364 2.807 10 1 GFCF Cc1nnc(NS(=O)(=O)c2ccc(N=Nc3ccc(N)nc3N)cc2)s1 256005992 VCDGNEYCVAHPRG-UHFFFAOYSA-N 390.454 2.622 10 3 GFCF C[C@]1(COc2ccc(N3CCSCC3)cc2)Cn2cc([N+](=O)[O-])nc2O1 34086762 NFMAMMXIBCMZBJ-QGZVFWFLSA-N 376.438 2.575 10 1 GFCF CNS(=O)(=O)c1ccc2c(c1)/C(=C/c1cn(C)c3ccc(OC)cc13)C(=O)N2 13538935 LAQJEWDIRFJSCE-IUXPMGMMSA-N 397.456 2.588 10 1 GFCF O=C1N=C(O)S/C1=C\c1ccc(OCC2CCC(C(=O)CO)CC2)cc1 169700811 KUEKAVYOWIGMNB-MFOYZWKCSA-N 375.446 2.962 10 1 GFCF O=C1c2c(O)cc(O)c(-c3ccc(O)c(O)c3)c2O[C@H]1Cc1ccc(O)c(O)c1 1857637521 FDDLJIPBVZPMGW-KRWDZBQOSA-N 396.351 2.774 10 1 GFCF CC[C@@H]1C[C@H](O)c2cc3c(cc2[C@H]1C(=O)OC)C(=O)c1cccc(O)c1C3=O 2356488717 XUBCDSRVBOHFKE-APEXYLGGSA-N 380.396 2.888 10 1 GFCF COc1cc(O)c2c(c1O)C(=O)[C@@H]1C[C@@](C)(OCCC(C)C)OC[C@@H]1C2=O 2356636253 AOPGIFKQYFONDP-JGRMJRGVSA-N 378.421 2.917 10 1 GFCF CC=C1CN2[C@H]3C[C@H]1[C@@](CO)(C(=O)OC)[C@H]2Cc1c3n(C)c2ccc(OC)cc12 2356479663 YRBCHUQDMNLZSV-RKCFAAOBSA-N 396.487 2.586 10 1 GFCF Cc1ccc(S(=O)(=O)NC2=N[C@H](c3ccc(Cl)cc3)CC(=O)N2)cc1 6817756 WHJNWJRLAHIMDC-HNNXBMFYSA-N 377.853 2.544 10 1 GFCF Cc1c(O)ccc2c1C1(CCN(c3ccc4c(c3)OCO4)CC1)N[C@H](C(=O)O)C2 963513111 YGMAEAGPGROEQQ-INIZCTEOSA-N 396.443 2.524 10 1 GFCF CC=C1CN2[C@H]3C[C@@]45c6cc(OC)ccc6N(C)[C@@H]4[C@H]2C[C@H]1[C@@H]3[C@H]5OC(C)=O 2356583378 SGXOBVVNZTTYAF-HSYXHTQESA-N 380.488 2.736 10 1 GFCF COc1cc(CCN(C)C)c([C@H]2C(=O)c3ccc4c(c3C2=O)OCO4)cc1OC 1591397 OALWQTMURSABLQ-SFHVURJKSA-N 397.427 2.699 10 1 GFCF biogenic CN(C)CCCOc1ccc(/C=C2\SC(=S)N(CCC(=O)O)C2=O)cc1 84728662 OPSYYICUTYYAGE-QINSGFPZSA-N 394.518 2.693 10 1 GFCF CN(C)c1ccc(/C=C2/C[C@@](CO)(COC(=O)C3CCCCC3)OC2=O)cc1 40846296 WBUOEZLMAVGYJX-OFFMQOAPSA-N 387.476 2.938 10 1 GFCF [N-]=[N+]=N[C@@H]1[C@H](N)[C@@H](OCc2ccccc2)O[C@@H](CO)[C@@H]1OCc1ccccc1 169301149 RTWCSZRCSZJIRN-KNJMJIDISA-N 384.436 2.512 10 1 GFCF O=C(O)C[C@@H]1CCN(Cc2ccccc2O)C[C@H]1Cc1nc2cnccc2[nH]1 2356604839 ICTFKQOWAMVZJB-GOEBONIOSA-N 380.448 2.819 10 1 GFCF O=C(CN(C(=O)c1cc(O)c(O)c(O)c1)c1ccccc1)NC1CCCCC1 1772656012 LNXMOLKDQGXZAZ-UHFFFAOYSA-N 384.432 2.899 10 1 GFCF COc1ccc(CN2CCC[C@@H](n3cc(C(=O)NC4CCCC4)nn3)C2)c(O)c1 12080240 JZBDYCMBOWBSIO-QGZVFWFLSA-N 399.495 2.502 10 1 GFCF CC=C1C[C@H]2C[C@@]34N(CC[C@]3(c3cc(OC)c(OC)cc3N4C)[C@H]2C(=O)OC)C1 2356558783 LVBUXPQQCKLJTH-DLMYGZFYSA-N 398.503 2.953 10 1 GFCF CCOC(=O)C(=[N+]=[N-])[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587339531 UKAOWEPGGBGDPL-OXQOHEQNSA-N 384.363 2.883 10 1 GFCF COc1ccc(-c2cc(/C=C3\SC(=S)N(CC(=O)O)C3=O)no2)cc1 62233339 MOUUVXKKFWQCTC-QPEQYQDCSA-N 376.415 2.636 10 1 GFCF CCCC[n+]1nn(-c2ccc([N+](=O)[O-])cc2)c2c1C(=O)c1ccccc1C2=O 1857538177 IXDWMGALDPUBGY-UHFFFAOYSA-N 377.380 2.644 10 1 GFCF CC[C@@H]1C[C@@H](O)c2cc3c(cc2[C@H]1C(=O)OC)C(=O)c1cccc(O)c1C3=O 2356488720 XUBCDSRVBOHFKE-YZOQQBSESA-N 380.396 2.888 10 1 GFCF Cc1ccccc1C(=O)OC[C@]1(CO)C/C(=C/c2ccc(N(C)C)cc2)C(=O)O1 40873248 SMQPUBSDLPNIKR-KELOHDTKSA-N 395.455 2.979 10 1 GFCF C[C@]1(O)CCN(Cc2ccccc2O)[C@H](c2ccccc2)[C@H]1NC(=O)C1CC1 2356289219 ROGMHDYHLMUVFC-XPNTWCBSSA-N 380.488 2.985 10 1 GFCF OCc1c(Br)c(O)c(O)c(Br)c1Br 14769538 CQIHXZDRQAKOMS-UHFFFAOYSA-N 376.826 2.878 10 1 GFCF biogenic O=C(OCc1cc(O)c2c(c1)C(=O)c1cccc(O)c1C2=O)c1ccc(O)cc1 103236892 JNAZKJLAUIOKDJ-UHFFFAOYSA-N 390.347 2.936 10 1 GFCF [N-]=[N+]=N[C@H]1[C@@H](N)[C@@H](OCc2ccccc2)O[C@H](CO)[C@@H]1OCc1ccccc1 40504042 RTWCSZRCSZJIRN-SLHNCBLASA-N 384.436 2.512 10 1 GFCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3c(O)nc(=N)[nH]c3[nH]1)[C@@H]1CC=C[C@H]21 587276501 LHUWSIAJDCQHPK-CWSCBRNRSA-N 379.380 2.514 10 1 GFCF CC(=O)N(C)[C@H](c1ccc(N(C)C)cc1)c1nnnn1-c1c(C)cccc1C 6995592 GZGLRVHTXGNYOZ-HXUWFJFHSA-N 378.480 2.913 10 3 GFCF O=C(OCc1coc(=O)o1)c1sc2c([N+](=O)[O-])c(O)c(O)cc2c1Cl 49073043 PJOJRTXYGCBIQQ-UHFFFAOYSA-N 387.709 2.777 10 1 GFCF CCN(CC)C(=O)c1ccc(Cn2nnc3c2C(=O)c2ccccc2C3=O)cc1 473149899 KRDFDYRCPIZNRJ-UHFFFAOYSA-N 388.427 2.584 10 1 GFCF CCC=CC[C@@H]1C(=O)CC[C@H]1CC(=O)N[C@H](Cc1ccc(O)c(O)c1)C(=O)O 2356421670 QMNCIZZUXQVCBL-HRCADAONSA-N 389.448 2.551 10 1 GFCF Cc1ccc(Cc2c(C)nc3c(C(=O)NC[C@H]4CCCO4)cnn3c2O)cc1 34858084 LXJFOZNKYIUPRJ-MRXNPFEDSA-N 380.448 2.551 10 1 GFCF [N-]=[N+]=N[C@@H]1[C@@H](N)[C@@H](OCc2ccccc2)O[C@@H](CO)[C@@H]1OCc1ccccc1 169301147 RTWCSZRCSZJIRN-MDMHHNQBSA-N 384.436 2.512 10 1 GFCF CC(C)[C@]1(N=[N+]=[N-])Oc2c(cc3ccc(=O)oc3c2CN2CCN(C)CC2)C1=O 473089536 RLXPLCDUYJGSNC-FQEVSTJZSA-N 397.435 2.778 10 1 GFCF O=C(CNC(=O)c1ccc2c(c1)OCCO2)/N=N\c1c(O)[nH]c2ccccc12 15880032 WLSYEPAKZBIAIC-FCQUAONHSA-N 380.360 2.685 10 1 GFCF COc1cc(OC)c2c(c1)C(=O)c1cc3c(c(OC)c1C2=O)[C@H]1C=CO[C@@H]1O3 2356527740 LWERGRLZWMJSEI-LADRHHBVSA-N 380.352 2.834 10 1 GFCF COc1cc([C@@H]2N[C@H](C(=O)O)Cc3cc(C)c(O)cc32)ccc1N1CCCC1 963487770 DAZNHJLEVNMHNT-UWJYYQICSA-N 382.460 2.998 10 1 GFCF O=C1c2ccccc2C(=O)c2c1ccc1nc(SCCN3CCOCC3)[nH]c21 103264519 SVUYBKWXSDBELS-UHFFFAOYSA-N 393.468 2.763 10 1 GFCF O=C(CNC(=O)c1ccc2c(c1)OCCO2)N=Nc1c(O)[nH]c2ccccc12 253916275 WLSYEPAKZBIAIC-UHFFFAOYSA-N 380.360 2.685 10 1 GFCF Cc1cc(N)c2c(c1)C(=O)C[C@](C=[N+]=[N-])([C@H]1CCCN1C(=O)OC(C)(C)C)O2 587388537 DLBQVZXTNPWSAF-UZLBHIALSA-N 386.452 2.981 10 1 GFCF CC(C)NC[C@@H](O)COc1ccc2c(=O)cc(-c3ccc(O)c(O)c3)oc2c1 35983317 QRYFFDBMSXTIHB-CQSZACIVSA-N 385.416 2.609 10 1 GFCF CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)[C@H](N=[N+]=[N-])c2cc3ccccc3nc2-1 40864114 CCRJKBQKOYNBPL-PXNSSMCTSA-N 389.371 2.889 10 1 GFCF in-vivo Cc1ccc(S(=O)(=O)NC2=N[C@@H](c3ccc(Cl)cc3)CC(=O)N2)cc1 6817758 WHJNWJRLAHIMDC-OAHLLOKOSA-N 377.853 2.544 10 1 GFCF Cc1c(CCN2CCOCC2)c2cc(F)ccc2n1CC(=O)N1CCCCC1 1857577715 DFUPSBLQCJHIPU-UHFFFAOYSA-N 387.499 2.976 10 1 GFCF Cc1nc(/N=N/c2ccc(C(=O)O)cc2)c(CCP(=O)(O)O)c(C=O)c1O 13861566 YUTIZIKCXZOYSN-VHEBQXMUSA-N 393.292 2.742 10 1 GFCF Cn1c(O)c(C2=NNC(=O)C2=CNc2ccc(Cl)cc2)c(=O)c2ccccc21 2356861376 UIFRNCUABBKHNR-UHFFFAOYSA-N 394.818 2.727 10 1 GFCF COc1cc(C[C@H]2CO[C@H](c3ccc(O)c(O)c3)[C@H]2COC(C)=O)ccc1O 86043569 HTVQTABGEGXRHO-CKJXQJPGSA-N 388.416 2.922 10 1 GFCF COc1cc2c(c(O)c1O)-c1c(cc(OC)c(O)c1O)C[C@](C)(O)[C@@H](C)C2 49113618 IYKSKVXKVLIBTQ-LXGOIASLSA-N 376.405 2.679 10 1 GFCF Oc1ccc(O)c(C2=N[C@@H](c3cc(O)ccc3O)[C@@H](c3cc(O)ccc3O)N2)c1 1857569928 LMWRNDRGNDEJLA-BGYRXZFFSA-N 394.383 2.753 10 1 GFCF Cc1ccccc1C(=O)OC[C@@]1(CO)C/C(=C/c2ccc(N(C)C)cc2)C(=O)O1 40873250 SMQPUBSDLPNIKR-QRKROWPFSA-N 395.455 2.979 10 1 GFCF CS(=O)(=O)Nc1cc(Sc2ncnc3nc[nH]c23)c(O)c2ccccc12 103267392 BKOSDIAVIJMGLO-UHFFFAOYSA-N 387.446 2.734 10 1 GFCF COc1ccc2c(c1)c(CC(=O)N1CCCCC1)c(C)n2CCN1CCOCC1 1857570413 XNXFTNJBLZCKMI-UHFFFAOYSA-N 399.535 2.846 10 1 GFCF O=C(CNC(=O)c1ccc2c(c1)OCCO2)/N=N/c1c(O)[nH]c2ccccc12 101793852 WLSYEPAKZBIAIC-GHVJWSGMSA-N 380.360 2.685 10 1 GFCF NCc1cc(C(=O)c2cc3c(c(Cl)c2Cl)O[C@@H](C(=O)O)C3)ccc1O 27653933 WUEPDBXZXYJTLF-GFCCVEGCSA-N 382.199 2.777 10 1 GFCF Cc1ccc(S(=O)(=O)N2CCN(Cc3ccc4cccnc4c3O)CC2)cc1 53246833 PDCNUSMIORNTCH-UHFFFAOYSA-N 397.500 2.755 10 1 GFCF NCC[C@@H]1CCCCN1[C@H]1N=C2c3c(O)cccc3C(=O)c3cccc(c32)O1 299847530 FRJTVIAAXPSDFL-WHEQGISXSA-N 377.444 2.653 10 1 GFCF CCCC(=O)c1c(CC(=O)OC)cc2c(c1O)C(=O)[C@@H]1C(O)=CC=C[C@H]1C2=O 2356709802 VPKOCJCXYZKOAS-DIFFPNOSSA-N 384.384 2.714 10 1 GFCF CCOC(=O)c1cc([C@H]2CCN(Cc3ccccc3)C2=S)c(C(=O)C=[N+]=[N-])[nH]1 73353175 RBAZKGNYSIOSAW-CQSZACIVSA-N 396.472 2.992 10 1 GFCF O=S1(=O)C[C@@H](O)[C@@H](N=Nc2c(O)n(Cc3ccccc3)c3ccccc23)C1 254010495 HRUKRGREPIONPY-DOTOQJQBSA-N 385.445 2.637 10 1 GFCF Cc1c(O)ccc2c1[C@@H](c1cc(O)c(O)c(Br)c1)N[C@H](C(=O)O)C2 963466802 FNFDWIAZYJEAAJ-XHDPSFHLSA-N 394.221 2.563 10 1 GFCF COc1ccc(OC)c2c1C[C@H](C)N[C@H]2c1ccc(N2CCOCC2)cc1O 963639602 VXNQANMWBUBCMY-FPTDNZKUSA-N 384.476 2.870 10 1 GFCF CC=C1CN2[C@H]3C[C@@]45c6cc(OC)ccc6N(C)[C@@H]4[C@H]2C[C@H]1[C@H]3[C@H]5OC(C)=O 2356583377 SGXOBVVNZTTYAF-BZYJFNQQSA-N 380.488 2.736 10 1 GFCF COc1ccc(OC)c2c1C[C@@H](C)N[C@]2(C)c1c(O)cc(O)c(C(C)=O)c1O 963584956 UAZVLGVXHGMLMR-UZJPJQLHSA-N 387.432 2.821 10 1 GFCF CCOC(=O)C(=[N+]=[N-])[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587339535 UKAOWEPGGBGDPL-UZLBHIALSA-N 384.363 2.883 10 1 GFCF NCC[C@H]1CCCCN1[C@@H]1N=C2c3c(O)cccc3C(=O)c3cccc(c32)O1 96937627 FRJTVIAAXPSDFL-DMZKTXOQSA-N 377.444 2.653 10 1 GFCF COc1ccc2c(c1)c(CC(=O)NC1CCCC1)c(C)n2CCN1CCOCC1 1857610208 AZIXPNSYGYLZCY-UHFFFAOYSA-N 399.535 2.892 10 1 GFCF CCOP(=O)(OCC)[C@H](c1cc([N+](=O)[O-])ccc1O)N1CCN(C)CC1 26818514 JEFJKGVZXMKSTL-MRXNPFEDSA-N 387.373 2.813 10 1 GFCF O=C(O)[C@@H]1Nc2ccc(-c3ccc4c(O)nc(O)nc4n3)cc2[C@H]2C=CC[C@@H]21 587554377 IKONIJOYCBPRSS-XMZIXOGTSA-N 376.372 2.641 10 1 GFCF COc1ccc2c(c1)C(=O)c1c-2n(CCCN)c(=O)c2cc(N(C)C)ccc12 95584384 GQXLWGPFHBXXOP-UHFFFAOYSA-N 377.444 2.636 10 1 GFCF COc1cc2c3c(c1)O[C@](C)(c1ccc(O)c(CN4CCOCC4)c1)[C@@H](C2)C3=O 587440509 ASXFFTBYYCOZBM-FDDCHVKYSA-N 395.455 2.896 10 1 GFCF COc1cc(OC)c2c(c1)C(=O)c1cc3c(c(OC)c1C2=O)[C@H]1C=CO[C@H]1O3 2356527743 LWERGRLZWMJSEI-UZJPJQLHSA-N 380.352 2.834 10 1 GFCF O=C(O)C[C@H]1CCN(Cc2ccccc2O)C[C@@H]1Cc1nc2cnccc2[nH]1 2356604840 ICTFKQOWAMVZJB-ZBFHGGJFSA-N 380.448 2.819 10 1 GFCF CN(C)c1ccc(/C=C2/C[C@](CO)(COC(=O)c3ccccc3)OC2=O)cc1 40846302 DKVBAXOYYKRRBA-VWOYCULZSA-N 381.428 2.671 10 1 GFCF COc1ccc(OC)c2c1C[C@@H](C)N[C@@H]2c1ccc(N2CCOCC2)cc1O 963639604 VXNQANMWBUBCMY-JLCFBVMHSA-N 384.476 2.870 10 1 GFCF CO[C@@H]1c2cc(C(C)C)c(O)c(O)c2[C@@]23C[C@@H](O)CC(C)(C)[C@@H]2[C@H]1OC3=O 2356609124 OPKZBJRGPVMQNF-XGLMKBGGSA-N 376.449 2.883 10 1 GFCF Cc1cc(C)n(C(=O)N[C@H]2C[C@@H]3c4cccc5c4c(cn5C)C[C@@H]3N(C)C2)n1 38424543 WGPJQOGQDROQGQ-HQRMLTQVSA-N 377.492 2.962 10 1 GFCF in-man COc1ccc(C(=O)NCC(=O)/N=N/c2c(O)n(C)c3ccccc23)cc1OC 101604355 ZASCUKSAKIQGQA-GHVJWSGMSA-N 396.403 2.941 10 1 GFCF O=C1NC(=S)S/C1=C\c1ccc(OCN2C(=O)c3ccccc3C2=O)cc1 1857654124 NRCXRLNYTBOKIT-DHDCSXOGSA-N 396.449 2.808 10 1 GFCF CC(=O)c1c(C(F)(F)F)nc2cc(F)c(N3CCSCC3)cc2[n+]1[O-] 653717089 MRNOBVLLALVAIC-UHFFFAOYSA-N 375.347 2.782 10 1 GFCF O=C(c1noc2c1CCCCC2)N1CCN(c2ccc3c(c2)OCCO3)CC1 95553146 WALWWKVXXWYWSP-UHFFFAOYSA-N 383.448 2.677 10 1 GFCF CC(C)=CCC1(CC=C(C)C)C(=O)C(=O)[C@@H](O)[C@@]12NCCc1ccc(O)cc12 963340321 GOIHOFAJWSVQFR-FYYLOGMGSA-N 383.488 2.945 10 1 GFCF COc1c(CC=C(C)C)cc([C@]2(O)COc3cc(O)ccc3C2=O)c(O)c1O 14648378 SCZBWEBASVFSHF-OAQYLSRUSA-N 386.400 2.784 10 1 GFCF biogenic CNC[C@@]1(c2ccc(O)c(O)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587758029 WOPQJCOPBSAZTG-YPMLDQLKSA-N 395.272 2.997 10 1 GFCF O=C(Nc1nc2cc(O)c(O)cc2s1)[C@H]1CCCN1C(=O)c1ccccc1 1857596938 QEAKVHGEUYKCTO-CYBMUJFWSA-N 383.429 2.951 10 1 GFCF CC(=O)c1cc(C)c(O)c(Cc2c(O)cc(-c3ccc(O)c(O)c3)oc2=O)c1O 169311931 DMQKBLQAFZIXPZ-UHFFFAOYSA-N 398.367 2.937 10 1 GFCF Cc1c(CC(=O)NC2CC2)c2cc(Cl)ccc2n1CCN1CCOCC1 1857607595 PPSALJJDDTVBAT-UHFFFAOYSA-N 375.900 2.756 10 1 GFCF COc1cc(C[C@@H](O)c2ccc(N3CCOCC3)cc2)c([N+](=O)[O-])cc1OC 1857760830 ZHWMPORJGCWRDL-GOSISDBHSA-N 388.420 2.725 10 1 GFCF Oc1cc(O)c(Oc2c(O)cc(O)cc2Oc2cc(O)c(O)cc2O)c(O)c1 238749835 SUOMAGSIQVTWPQ-UHFFFAOYSA-N 390.300 2.916 10 1 GFCF O=c1oc2cc(C=Cc3ccc(O)c(O)c3)oc(=O)c2c2cc(O)c(O)cc12 2356661642 KKEIHFGUYDHUBS-UHFFFAOYSA-N 380.308 2.892 10 1 GFCF Cc1ccccc1N1CCN(CCC(=O)c2cc(O)c(O)c([N+](=O)[O-])c2)CC1 13585751 ZPULLKVYCZNDGO-UHFFFAOYSA-N 385.420 2.709 10 1 GFCF CCc1ccc(O)c([C@]2(CCC(=O)O)N[C@H](C(=O)O)Cc3cccc(F)c32)c1 962903151 TXVFPPIAVNRORB-KKSFZXQISA-N 387.407 2.801 10 1 GFCF CCCn1c(=O)c2[nH]c(C3CCCC3)nc2n(CCc2ccc(N)cc2)c1=O 13832607 HIGUCTFSOVUIFC-UHFFFAOYSA-N 381.480 2.779 10 1 GFCF O=C(O)[C@@H]1Nc2ccc(-c3ccc4c(O)nc(O)nc4n3)cc2[C@@H]2C=CC[C@@H]12 587554359 IKONIJOYCBPRSS-GLKRBJQHSA-N 376.372 2.641 10 1 GFCF O=C(O)CCCCCN1C(=O)[C@H]([C@@H]2C(=O)Nc3ccccc32)SC1=S 101153171 CDGWFYDPJMYGGA-KGLIPLIRSA-N 378.475 2.596 10 1 GFCF CC(C)C[C@H](N)C(=O)Nc1cc(NC(=O)/C=C/c2ccc(O)c(O)c2)ccc1O 103178910 IATJCTYWWXUDGC-LWUPOJRFSA-N 399.447 2.767 10 1 GFCF CN(C)/N=N/c1ccc2c(c1)C(=O)N(C)Cc1c(C(=O)OC(C)(C)C)ncn1-2 13826467 HZWIRYNNPCVNQT-QURGRASLSA-N 384.440 2.974 10 1 GFCF Cc1c(CC(=O)N2CCCCC2)c2cc(F)ccc2n1CCN1CCOCC1 1857548275 HRCDLGIQUMZSKT-UHFFFAOYSA-N 387.499 2.976 10 1 GFCF Nc1ccc(O)c(CNc2ccc(S(=O)(=O)Nc3nccs3)cc2)c1 103266477 GBGFJCINCNRVPM-UHFFFAOYSA-N 376.463 2.844 10 1 GFCF COc1c(Cl)c(O)cc2c1C(=O)c1c(O)cc(COC(C)=O)cc1C2=O 2356328112 OWTNKMFURYLDCW-UHFFFAOYSA-N 376.748 2.598 10 1 GFCF COc1ccc(N2CCCN(c3ccnc4sc(C(N)=O)c(N)c34)CC2)cc1 95605872 GUHMWSVGSXKDFA-UHFFFAOYSA-N 397.504 2.703 10 1 GFCF Cc1cccc2c3c(ccc12)-c1occ(CN2CCO[C@H](CO)C2)c1C(=O)C3=O 1772640534 IDTKMOGAYDUIDF-HNNXBMFYSA-N 391.423 2.980 10 1 GFCF COc1cc2c(c(O)c1O)-c1ccc(SC)c(=O)cc1[C@@H](NC(C)=O)CC2 13779615 QWAPKPXETOORJN-AWEZNQCLSA-N 387.457 2.979 10 1 GFCF COc1ccc(N2CCN(c3ncnc4c3nc3n4CCCCC3)CC2)cc1 6899589 QENUQQHEAJGOOE-UHFFFAOYSA-N 378.480 2.888 10 1 GFCF COc1ccc2c(c1)C(=O)c1c-2n(CCCN)c(=O)c2cc(OC)c(OC)cc12 28711301 YTYUUESCFWEGQN-UHFFFAOYSA-N 394.427 2.588 10 1 GFCF COc1ccc(OC)c2c1C[C@@H](C)N[C@@]2(C)c1c(O)cc(O)c(C(C)=O)c1O 963584951 UAZVLGVXHGMLMR-LADRHHBVSA-N 387.432 2.821 10 1 GFCF O=C1NC(=S)S/C1=C\c1cccc(OCN2C(=O)c3ccccc3C2=O)c1 1857652282 JGYCOHDKWTVTAQ-DHDCSXOGSA-N 396.449 2.808 10 1 GFCF CCCCNc1nc(N)c2[nH]c(=O)n(Cc3ccc(N4CCCCC4)cc3)c2n1 95597360 MQQCZJHRYCOPSC-UHFFFAOYSA-N 395.511 2.952 10 1 GFCF O=C(O)c1ccccc1Nc1ccc(OCCCP(=O)(O)O)cc1C(=O)O 584905412 NQOSCSDORDCLER-UHFFFAOYSA-N 395.304 2.773 10 1 GFCF in-vitro COc1ccc(OC)c2c1C[C@@H](C)N[C@]2(CNC(C)C)c1ccc(O)c(O)c1 963603247 BXEBXDIECBPFGZ-JLCFBVMHSA-N 386.492 2.891 10 1 GFCF CCOC(=O)c1ccc(O)c([C@H]2N[C@H](C(=O)O)Cc3c2cnc2ccccc32)c1 963221922 GDQYRSSPEBRNMN-AZUAARDMSA-N 392.411 2.805 10 1 GFCF CC1=NN(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)[C@H](c2ccccc2O)C1 71340437 HMSFBHVDDUACRP-KRWDZBQOSA-N 389.433 2.996 10 1 GFCF CC[C@@](Cc1ccc(O)c(O)c1)(OC(=O)C=Cc1ccc(O)c(O)c1)C(=O)O 2356764010 XSVUUYKNINAWHI-FQEVSTJZSA-N 388.372 2.542 10 1 GFCF COC(=O)/C=C/c1ccc2c3c(n(CCCN)c(=O)c2c1)-c1ccccc1C3=O 95583470 NPELMSVHHADUQQ-CSKARUKUSA-N 388.423 2.748 10 1 GFCF Cc1oc2c(c1C(=O)NCCCn1ccnc1)C(=O)c1ccc(F)cc1C2=O 1911572290 ULEZSGRANVZZMQ-UHFFFAOYSA-N 381.363 2.519 10 1 GFCF [N-]=[N+]=N[C@H]1[C@H](OCc2ccccc2)[C@H](CO)O[C@@H](OCc2ccccc2)[C@@H]1N 194889556 RTWCSZRCSZJIRN-OMQSBVIBSA-N 384.436 2.512 10 1 GFCF CC(C)(C)NC[C@@H](O)COc1ccc2oc(-c3ccc(O)c(O)c3)cc(=O)c2c1 34641768 BZGNBLQBWLJYHA-CQSZACIVSA-N 399.443 2.999 10 1 GFCF CNC[C@]1(c2ccc(O)c(O)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587754431 JPNMBIWVNNGYAX-XTZNXHDOSA-N 395.272 2.997 10 1 GFCF NC(=S)n1[nH]c(-c2ccc([N+](=O)[O-])cc2)c(N=Nc2ccc(O)cc2)c1=O 299849269 DJIVMQUGJGLQNZ-UHFFFAOYSA-N 384.377 2.964 10 1 GFCF CN(C)CCc1cn(CCCCCCCO)c2c1C(=O)c1ccncc1C2=O 71342031 PVSBTDWZNODVHT-UHFFFAOYSA-N 383.492 2.705 10 1 GFCF CN(C)CCCNc1ccc2c3c(nn2CCN(C)C)-c2cnccc2C(=O)c13 27624285 QBWXYDBAQWVAQR-UHFFFAOYSA-N 392.507 2.568 10 1 GFCF Cc1ccc(C2=NN(C(=O)CN3CCOCC3)[C@@H](c3ccccc3O)C2)cc1 299861962 IXFJDFVQVRNXCI-HXUWFJFHSA-N 379.460 2.711 10 1 GFCF CCNc1cc(O)c2c(c1)CCCC(=O)C(=O)C(=O)CC[C@H](C)[C@H](C)OC2=O 169728478 CVMRXEUTOZUOID-STQMWFEESA-N 389.448 2.829 10 1 GFCF COc1cc(/C=C2\C(=O)N(c3cccc(C(=O)O)c3)N=C2C)cc(OC)c1O 1857770058 REQATOAGFXQBPE-CHHVJCJISA-N 382.372 2.914 10 1 GFCF O=C(Nc1nc2cc(O)c(O)cc2s1)[C@@H]1CCCN1C(=O)c1ccccc1 1857569953 QEAKVHGEUYKCTO-ZDUSSCGKSA-N 383.429 2.951 10 1 GFCF O=C1NC(=O)C(=Cc2cn(-c3ccc(Cl)cc3)nc2-c2ccccc2)C(=O)N1 1857757304 KKAKELKYDXEHTQ-UHFFFAOYSA-N 392.802 2.942 10 1 GFCF C[C@@H](CCCNC(=O)OC1CCCCC1)NC[C@@H](O)c1ccc(O)c(O)c1 27719055 ROSAPHYGJHZPEE-IFXJQAMLSA-N 380.485 2.948 10 1 GFCF O=C1c2c(O)cc(O)c(-c3ccc(O)c(O)c3)c2O[C@@H]1Cc1ccc(O)c(O)c1 1857637522 FDDLJIPBVZPMGW-QGZVFWFLSA-N 396.351 2.774 10 1 GFCF COc1cc(C[C@H]2NCCc3c(F)c(O)c(O)c(F)c32)cc(OC)c1OC 13449123 JSUCHNUEMCJTOS-LLVKDONJSA-N 381.375 2.831 10 1 GFCF CN(C)c1ccc(CNC(=O)[C@H]2CNC[C@@H]2c2ccc(C(F)(F)F)nc2)cc1 1857573655 WXLGXMLWEIXZHQ-SJORKVTESA-N 392.425 2.786 10 1 GFCF CC(C)=C(CO)C[C@@]12O[C@]1(C(=O)OC1CCCC1)C(=O)c1ccccc1C2=O 85592762 JWWZUIVPHDJTGK-VXKWHMMOSA-N 384.428 2.778 10 1 GFCF biogenic,in-vitro COc1cc2c3c(c1)O[C@@]1(C(=O)N(CCN=[N+]=[N-])c4ccccc41)[C@@H](C2)C3=O 587432216 ILXFFURXEXTTLW-VBKZILBWSA-N 376.372 2.995 10 1 GFCF Cc1nc(/N=N/c2ccc(S(=O)(=O)O)cc2)c(CCC(=O)O)c(C=O)c1O 96909134 CTGVCMFRFFDHNA-VHEBQXMUSA-N 393.377 2.587 10 1 GFCF COc1c(O)c(O)cc2c1-c1ccc(SC)c(=O)cc1[C@@H](NC(C)=O)CC2 13779616 TUCYCQQBWVJPPA-AWEZNQCLSA-N 387.457 2.979 10 1 GFCF CCC=CC[C@@H]1C(=O)CC[C@@H]1CC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O 2356421673 QMNCIZZUXQVCBL-PMPSAXMXSA-N 389.448 2.551 10 1 GFCF CC=C1CN(C)[C@H]2Cc3c(n(C)c4cc(OC)ccc34)C(=O)C[C@H]1[C@H]2C(=O)OC 2356438782 SCEZUKWTQWFYLN-LKUPVBHCSA-N 396.487 2.982 10 1 GFCF O=C1NN(C(=O)c2ccco2)C(=O)/C1=C/c1ccc(OCc2ccccc2)cc1 40420846 YNOPKDJCJJYTDG-QGOAFFKASA-N 388.379 2.956 10 1 GFCF O=C(NCC1CCCCC1)c1cc(S(=O)(=O)N2CCCCC2)cc(O)c1O 72114196 VDCGDNBYSNOXSC-UHFFFAOYSA-N 396.509 2.583 10 1 GFCF Cc1nc2cnccc2n1CC1CCN(C(=O)NCc2ccc(N)cc2)CC1 13863953 PTFXVFQPAWYGMB-UHFFFAOYSA-N 378.480 2.944 10 1 GFCF CC(C)(C)NC[C@@H](O)COc1ccc2c(=O)cc(-c3ccc(O)c(O)c3)oc2c1 35943125 RUWKGRBITDJJSK-CQSZACIVSA-N 399.443 2.999 10 1 GFCF COc1cc2oc(-c3cc(O)c(OC)c(OC)c3)c(OC)c(=O)c2c(O)c1O 3983880 DTODSGVQMWBBNE-UHFFFAOYSA-N 390.344 2.611 10 1 GFCF biogenic,in-vitro CCOC(=O)c1ccc(O)c([C@@H]2N[C@@H](C(=O)O)Cc3c2cnc2ccccc32)c1 963221940 GDQYRSSPEBRNMN-QUCCMNQESA-N 392.411 2.805 10 1 GFCF CC[C@H](CO)Nc1nc(NCc2cccc(O)c2O)c2ncn(C(C)C)c2n1 299855096 AZVUZPCEYWZGLF-CYBMUJFWSA-N 386.456 2.613 10 1 GFCF O=S(=O)(Cc1ccccc1)n1c2cc(O)c(O)cc2c2ccc(O)c(O)c21 1916197 RAVCLOQBOWCLBR-UHFFFAOYSA-N 385.397 2.995 10 1 GFCF CC[C@H](C)CO[C@]1(C)C[C@@H]2C(=O)c3c(O)c(OC)cc(O)c3C(=O)[C@H]2CO1 2356579881 HANCKSHFXPSBBO-NAHOBKRNSA-N 378.421 2.917 10 1 GFCF CC(=O)N1N=C(c2c(O)ccc3c(C)cc(=O)oc23)C[C@@H]1c1ccc(O)cc1O 84704446 LBAKDISBUNPJPD-MRXNPFEDSA-N 394.383 2.916 10 1 GFCF COc1c(O)cc2c(c1O)C(=O)c1c(cc3c(c1O)[C@@H]1CCC[C@](C)(O3)O1)C2=O 13374855 RILZPXMAXDFTJX-MQJDWESPSA-N 398.367 2.938 10 1 GFCF O=c1c2cc(O)c(O)cc2c2cc(O)c(O)cc2n1Cc1ccc([N+](=O)[O-])cc1 3834106 ISBKHBKPWXJLKX-UHFFFAOYSA-N 394.339 2.934 10 1 GFCF [N-]=[N+]=NC[C@H]1O[C@@H](n2c(Cl)nc3cc(Cl)c(Cl)cc32)[C@H](O)[C@@H]1O 3827196 SROWZQCSLLTUQL-GWOFURMSSA-N 378.603 2.926 10 1 GFCF Cc1cc(N2CCN(C)CC2)c2oc(-c3ccc(O)c(O)c3)c(O)c(=O)c2c1 28822433 ZXVMJYMFJTYFQL-UHFFFAOYSA-N 382.416 2.637 10 1 GFCF C[C@]1(O)CCN(Cc2ccccc2O)[C@@H](c2ccccc2)[C@@H]1NC(=O)C1CC1 2356289216 ROGMHDYHLMUVFC-FUDKSRODSA-N 380.488 2.985 10 1 GFCF O=C(O)CCCCCN1C(=O)[C@@H]([C@@H]2C(=O)Nc3ccccc32)SC1=S 101153164 CDGWFYDPJMYGGA-ZIAGYGMSSA-N 378.475 2.596 10 1 GFCF CCOP(=O)(CCCn1nnc2c1C(=O)c1ccccc1C2=O)OCC 1857767126 APKFRVQUZAHGKH-UHFFFAOYSA-N 377.337 2.710 10 1 GFCF O=C(O)[C@@H]1Nc2ccc(-c3ccc4c(O)nc(O)nc4n3)cc2[C@H]2C=CC[C@H]21 587554365 IKONIJOYCBPRSS-LYOVBCGYSA-N 376.372 2.641 10 1 GFCF O=C(Nc1ccnnc1)c1cc(N2CCNCC2)ccc1OCc1ccccc1 1857589277 OXPBBSBVCRDCDC-UHFFFAOYSA-N 389.459 2.718 10 1 GFCF CN1CC[C@]23c4c5ccc(NCc6ccccc6O)c4O[C@H]2[C@@H](O)C=C[C@H]3[C@H]1C5 84669459 HUZJHIOVMUYRMS-SDAQKBEVSA-N 390.483 2.810 10 1 GFCF COc1cc([C@@H]2N[C@H](C(=O)O)Cc3c2cnc2ccccc32)c(O)c([N+](=O)[O-])c1 963217946 DTWKMWWGONTFEK-WMZOPIPTSA-N 395.371 2.546 10 1 GFCF CCOc1ccc(C=C2C(=O)NC(=S)NC2=O)cc1CCc1ccccc1 169330376 PDZUCFPIRJSCJQ-UHFFFAOYSA-N 380.469 2.785 10 1 GFCF O=C(CCN1CCCCC1)Nc1cc2c(cc1O)C(=O)c1ccccc1C2=O 299819214 BPMUSDSDEFXXQI-UHFFFAOYSA-N 378.428 2.982 10 1 GFCF COc1cc(/C=C/c2nc3ccc(CN4CCOCC4)cc3[nH]2)cc(O)c1O 587784854 DNJDAADSQSCFBY-HWKANZROSA-N 381.432 2.985 10 1 GFCF C[C@@]12CCC[C@@H](O1)c1c(cc3c(c1O)C(=O)c1c(cc(O)c(O)c1O)C3=O)O2 238765628 FHAYEPCIFHTYLU-CFMSYZGJSA-N 384.340 2.635 10 1 GFCF CC=C1CN2[C@H]3C[C@H]1[C@](CO)(C(=O)OC)[C@H]2Cc1c3n(C)c2ccc(OC)cc12 2356479662 YRBCHUQDMNLZSV-JWRIFHQMSA-N 396.487 2.586 10 1 GFCF COc1ccc(C(=O)C(=O)c2cc(OC)c(OC)c(OC)c2)cc1NC(C)=O 29047656 RWYBGEAYTCCJFU-UHFFFAOYSA-N 387.388 2.745 10 1 GFCF COC(=O)c1c[nH]c2cc(N3CCN(c4ccc(OC)cc4)CC3)ccc2c1=O 1772580610 RVLMMAYZJGIDMK-UHFFFAOYSA-N 393.443 2.650 10 1 GFCF Cc1ccc(C(=O)OC[C@]2(CO)C/C(=C/c3ccc(N(C)C)cc3)C(=O)O2)cc1 40864382 NTPPEYKJWWEQLA-JDDNKDTNSA-N 395.455 2.979 10 1 GFCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3c(O)nc(=N)[nH]c3[nH]1)[C@H]1CC=C[C@@H]21 587276505 LHUWSIAJDCQHPK-NRUUGDAUSA-N 379.380 2.514 10 1 GFCF Cc1cc(=O)c2ccc3c(c2o1)C(=O)c1c(OCCN(C)C)cccc1C3=O 29038297 VFAUJTTUDQVDCY-UHFFFAOYSA-N 377.396 2.817 10 1 GFCF COc1cc(CC[C@@H](O)CC(=O)CCc2cc(O)c(O)c(OC)c2)ccc1O 15113777 WCKRDHRSYRZRAX-OAHLLOKOSA-N 390.432 2.706 10 1 GFCF biogenic,in-vitro Cn1cc(/C=C2\C(=O)NN=C2c2cnns2)c2cc(Br)ccc21 28955009 YTWDDCKDXYRRKH-WCIBSUBMSA-N 388.250 2.710 10 1 GFCF CNC[C@]1(c2ccc(O)c(O)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 587758027 WOPQJCOPBSAZTG-MLCYQJTMSA-N 395.272 2.997 10 1 GFCF O=c1cc(-c2ccccc2)oc2c(CN3CCC[C@H](O)C3)c(O)c(O)c(O)c12 72124631 AUFAAUAWYPNKGY-ZDUSSCGKSA-N 383.400 2.534 10 1 GFCF CS(=O)(=O)Nc1ccc(O)c(-c2nc3c(F)c(F)c(F)c(F)c3[nH]2)c1 586947926 ACSHOEUDMKFXQG-UHFFFAOYSA-N 375.303 2.863 10 1 GFCF O=C1c2ccccc2C(=O)c2c1ccc1nc(SC(=O)N3CCOCC3)[nH]c21 103265429 JHFRGXAKGAVPIK-UHFFFAOYSA-N 393.424 2.883 10 1 GFCF Oc1ccc([C@H]2c3c(O)cc(O)cc3O[C@H](c3ccc(O)c(O)c3)[C@@H]2O)c(O)c1 58591425 HHTOABNBQKDYJW-CEWLAPEOSA-N 398.367 2.547 10 1 GFCF O=c1c(O)c(-c2ccc(O)c(O)c2)oc2c(CN3CCCCC3)c(O)cc(O)c12 33839143 DQYMTHDGRAVMQY-UHFFFAOYSA-N 399.399 2.974 10 1 GFCF CC(C)CCN1C(=O)NC(=O)C12CCN(Cc1cc(Cl)ccc1O)CC2 473098027 FEOYLFWZHFSKBO-UHFFFAOYSA-N 379.888 2.978 10 1 GFCF CC(=O)N(C)[C@@H](c1ccc(N(C)C)cc1)c1nnnn1-c1c(C)cccc1C 6995593 GZGLRVHTXGNYOZ-FQEVSTJZSA-N 378.480 2.913 10 3 GFCF CCOC(=O)c1c2c(n(-c3ccc(F)cc3)c1N)C(=O)c1ncccc1C2=O 40410553 DOJGMXQATHWUGS-UHFFFAOYSA-N 379.347 2.546 10 1 GFCF C[C@H](CCCNC(=O)OCc1ccccc1)NC[C@H](O)c1ccc(O)c(O)c1 27720645 SHOIXSXOEGEANU-QRWLVFNGSA-N 388.464 2.816 10 1 GFCF CCN(C)C(=O)Oc1cccc(CCNC(=O)/C=C/c2ccc(O)c(O)c2)c1 1772578929 IBWQQOFIDPDSFG-CSKARUKUSA-N 384.432 2.920 10 1 GFCF CCc1nc(N)nc(N)c1-c1ccc(Cl)c(/N=N/N(C)CC2OCCO2)c1 17921063 WCBSAAZNVVQGKT-WCWDXBQESA-N 391.863 2.827 10 1 GFCF COc1cccc2c1[C@@]1(Oc3cc(C)cc4ccc(O)c1c34)N(CCO)C2=O 2356799039 TXNICMSEHSRCQN-QFIPXVFZSA-N 377.396 2.904 10 1 GFCF CC[C@H]1C[C@@H](O)c2cc3c(cc2[C@H]1C(=O)OC)C(=O)c1cccc(O)c1C3=O 238765620 XUBCDSRVBOHFKE-RWRYZHGASA-N 380.396 2.888 10 1 GFCF COc1cc([C@H]2N[C@@H](C(=O)O)Cc3c2cnc2ccccc32)c(O)c([N+](=O)[O-])c1 963217945 DTWKMWWGONTFEK-SJLPKXTDSA-N 395.371 2.546 10 1 GFCF Cc1ccc(C2=NN(C(=O)CN3CCOCC3)[C@H](c3ccccc3O)C2)cc1 299861960 IXFJDFVQVRNXCI-FQEVSTJZSA-N 379.460 2.711 10 1 GFCF CN(C)c1ccc(CNC(=O)[C@H]2CNC[C@@H]2c2cnc(C(F)(F)F)s2)cc1 1857604896 JRVNJFCHLXOVHR-KBPBESRZSA-N 398.454 2.847 10 1 GFCF O=C1c2ccccc2C(=O)c2c1nc(-c1ccccc1)n2CCN1CCOCC1 1857752150 GCGVACVGXDVLBF-UHFFFAOYSA-N 387.439 2.658 10 1 GFCF CNC[C@]1(c2ccc(O)c(O)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587569149 FJNULULFWWOUPU-SIKLNZKXSA-N 393.395 2.880 10 1 GFCF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@@H](c2cc(Br)c(O)cc2O)N1 962894388 IZMPLVROXJCBFM-WFASDCNBSA-N 382.185 2.688 10 1 GFCF O=S1(=O)C[C@@H](O)[C@@H](/N=N/c2c(O)n(Cc3ccccc3)c3ccccc23)C1 101925665 HRUKRGREPIONPY-SVCPKVKRSA-N 385.445 2.637 10 1 GFCF COc1cc([C@H]2c3c(cc(OC)c(O)c3O)C[C@@H]3COC[C@H]32)cc(OC)c1O 238764006 MBBZRCCRPPDOEH-PBFPGSCMSA-N 388.416 2.780 10 1 GFCF Nc1ccc(NS(=O)(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)cc1 299833855 ACLOMZPLVNLIDI-UHFFFAOYSA-N 393.424 2.870 10 1 GFCF CCOC(=O)C[C@@H](OC(=O)C=Cc1ccc(O)c(O)c1)c1ccc(O)c(O)c1 2356451470 HGNBCZFZBKBJMT-GOSISDBHSA-N 388.372 2.760 10 1 GFCF Cc1c(-c2ccc(N3CCNCC3)cc2)n(C)c2nc(C(N)=O)cc(Cl)c12 1772632076 ZMKZZRCGXNIFIA-UHFFFAOYSA-N 383.883 2.711 10 1 GFCF CC(C)(C)NC[C@H](O)COc1ccc2oc(-c3ccc(O)c(O)c3)cc(=O)c2c1 34641767 BZGNBLQBWLJYHA-AWEZNQCLSA-N 399.443 2.999 10 1 GFCF O=c1c2c(O)c(O)ccc2c2cc(O)c(O)cc2n1Cc1ccc([N+](=O)[O-])cc1 13737752 KJDQVGMYCXBXIU-UHFFFAOYSA-N 394.339 2.934 10 1 GFCF Nc1ccc(C[C@@H]2NCCc3cc(O)c(O)cc32)cc1I 11422313 QWTXDWOAXDXJFU-AWEZNQCLSA-N 396.228 2.714 10 1 GFCF CS(=O)(=O)NN1C(=O)/C(=C/c2ccc(Cl)c(Cl)c2)SC1=S 13680722 UNWQSTMBUVBKLX-UITAMQMPSA-N 383.303 2.659 10 1 GFCF COc1ccc(OC)c2c1C[C@@H](C)N[C@H]2c1ccc(N2CCOCC2)cc1O 963639606 VXNQANMWBUBCMY-PEBXRYMYSA-N 384.476 2.870 10 1 GFCF COc1c(O)c(CN2CCN(C)CC2)c2oc(-c3ccccc3)cc(=O)c2c1O 29127824 AXCJFMMZHHQCDE-UHFFFAOYSA-N 396.443 2.627 10 1 GFCF COc1ccc(CN2CCC[C@H]2c2nc(C3=CN[C](N(C)C)C=C3)no2)c(O)c1 2356595917 XQRGRACQGGTNKR-KRWDZBQOSA-N 396.471 2.672 10 1 GFCF NCCNCCCCCCNC(=O)c1cccc2c(N)c3ccccc3nc12 26750485 YOJFGFDNQUAYHP-UHFFFAOYSA-N 379.508 2.809 10 1 GFCF Cc1cc(N)c2c(c1)C(=O)C[C@@](C=[N+]=[N-])([C@H]1CCCN1C(=O)OC(C)(C)C)O2 587388536 DLBQVZXTNPWSAF-OXQOHEQNSA-N 386.452 2.981 10 1 GFCF CN(CCO)c1ccc(-c2nc3cc(S(=O)(=O)C(F)(F)F)ccc3[nH]2)cc1 587192991 OCCMWESBXKHOSP-UHFFFAOYSA-N 399.394 2.952 10 1 GFCF COc1cc2c3c(c1)O[C@@H](c1c(C)n(CC(N)=O)c4ccccc14)[C@@H](C2)C3=O 587431890 RHZMJKDMAJAOII-OYHNWAKOSA-N 376.412 2.932 10 1 GFCF COc1cc(O)c2c(c1)OC(C)(C)C[C@]21N[C@H](C(=O)O)Cc2cc(F)ccc21 962925602 WFOJAVKJIBCTIU-YCRPNKLZSA-N 387.407 2.944 10 1 GFCF CCOC(=O)c1c2c(n(-c3ccc(F)c(F)c3)c1N)C(=O)c1ncccc1C2=O 40935379 LOQCVFZMBQTWCJ-UHFFFAOYSA-N 397.337 2.685 10 1 GFCF COc1cc(OC(C)=O)c2c(c1)C(=O)c1cc(OC(C)=O)c(C(C)=O)cc1C2=O 2356872908 ZBZOJMZUBIFVJK-UHFFFAOYSA-N 396.351 2.524 10 1 GFCF O=c1ccoc(-c2c(O)c(O)c(O)c3c(=O)cc(-c4ccc(O)cc4)oc23)c1O 210805725 JMNZGXQICYMFDX-UHFFFAOYSA-N 396.307 2.608 10 1 GFCF CC(C)=CC(=O)O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1 66258346 KDVXQDUFRFLKAT-YLJYHZDGSA-N 388.372 2.769 10 1 GFCF Nc1ccc(CNC[C@@](O)(Cn2cncn2)c2ccc(Cl)cc2Cl)cc1 29040354 VJUVFNKVWOQYGD-GOSISDBHSA-N 392.290 2.845 10 1 GFCF COc1ccc(OC)c2c1C[C@@H](C)N[C@@]2(CNC(C)C)c1ccc(O)c(O)c1 963603248 BXEBXDIECBPFGZ-PEBXRYMYSA-N 386.492 2.891 10 1 GFCF COc1cc(O)c2c(c1O)C(=O)[C@@H]1C[C@](C)(OCCC(C)C)OC[C@@H]1C2=O 2356636254 AOPGIFKQYFONDP-XAAFQQQXSA-N 378.421 2.917 10 1 GFCF CCN(CC)CCCOC(=O)c1cc(O)c2c(c1)C(=O)c1cccc(O)c1C2=O 209346420 JOKZSCAZSHLRIH-UHFFFAOYSA-N 397.427 2.762 10 1 GFCF C[C@]1(O)CCN(Cc2ccccc2O)[C@@H](c2ccccc2)[C@H]1NC(=O)C1CC1 2356289218 ROGMHDYHLMUVFC-XJUOHMSHSA-N 380.488 2.985 10 1 GFCF NC(=S)n1[nH]c(-c2ccc([N+](=O)[O-])cc2)c(/N=N/c2ccc(O)cc2)c1=O 169324927 DJIVMQUGJGLQNZ-VHEBQXMUSA-N 384.377 2.964 10 1 GFCF [N-]=[N+]=N[C@@H]1[C@H](OCc2ccccc2)[C@@H](CO)O[C@H](OCc2ccccc2)[C@@H]1N 40504040 RTWCSZRCSZJIRN-OBKDMQGPSA-N 384.436 2.512 10 1 GFCF CNC(=O)c1cn2c(-c3ccc(N(C)C)cc3)nc3c(NC)c(F)cc(c1=O)c32 101632696 WIEZDFROSHHSNE-UHFFFAOYSA-N 393.422 2.559 10 1 GFCF [N-]=[N+]=N[C@H]1[C@H](OCc2ccccc2)[C@H](CO)O[C@H](OCc2ccccc2)[C@@H]1N 194889521 RTWCSZRCSZJIRN-UTBUEMAESA-N 384.436 2.512 10 1 GFCF COc1ccc(OC)c2c1C[C@H](C)N[C@]2(C)c1c(O)cc(O)c(C(C)=O)c1O 963584947 UAZVLGVXHGMLMR-CWKPULSASA-N 387.432 2.821 10 1 GFCF O=C1c2c(O)cccc2C(C(=O)Cc2cc(O)c(O)c(O)c2)c2cccc(O)c21 3810338 HYUVUMMAOVZCFV-UHFFFAOYSA-N 392.363 2.703 10 1 GFCF COc1ccc(C(=O)NCC(=O)N=Nc2c(O)n(C)c3ccccc23)cc1OC 254003401 ZASCUKSAKIQGQA-UHFFFAOYSA-N 396.403 2.941 10 1 GFCF CC(=O)O[C@H](CCc1ccc(O)c(O)c1)C[C@H](O)CCc1ccc(O)c(O)c1 72181519 LPQAWINMKZEZOZ-IAGOWNOFSA-N 390.432 2.757 10 1 GFCF biogenic CC1(C)[C@@H]([N+](=O)[O-])[C@H](c2ccccc2O)N[C@@H](c2ccccc2O)[C@@H]1[N+](=O)[O-] 13151600 QWRZREMQSRFAAJ-XSLAGTTESA-N 387.392 2.800 10 1 GFCF CC1=NN(C(N)=S)C(=O)[C@H]1/N=N\c1c(Cl)cc([N+](=O)[O-])cc1Cl 8397881 KOAXTNKKEUXCCW-UZXNGNGQSA-N 375.197 2.816 10 1 GFCF O=C1c2ccccc2-c2c1c1ccc(C(F)(F)F)cc1c(=O)n2C[C@H](O)CO 473166239 FHSABWFSAAYKJA-NSHDSACASA-N 389.329 2.585 10 1 GFCF O=C(O)c1cn(C2CC2)c2c(c1=O)C=C(F)C1=NN=C(c3ccc(O)cc3)CN12 1911576903 AOIKEYPFOVVEJH-UHFFFAOYSA-N 394.362 2.534 10 1 GFCF CC(=O)N1N=C(c2c(O)ccc3c(C)cc(=O)oc23)C[C@H]1c1ccc(O)c(O)c1 84728583 PKFDMPCBBRPKOD-HNNXBMFYSA-N 394.383 2.916 10 1 GFCF Cc1cc(N2C(=O)CCCC2=O)c2oc(-c3ccc(O)c(O)c3)c(O)c(=O)c2c1 28822440 DGMWYGXZHPOYKH-UHFFFAOYSA-N 395.367 2.929 10 1 GFCF COc1cc([C@@H]2C[C@H](O)C[C@@H](CCc3ccc(O)cc3)O2)c(CO)c(O)c1O 2356479082 BXDGMKAIMSFREK-RKVPGOIHSA-N 390.432 2.518 10 1 GFCF CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C\N1CCNC[C@@H]1C(=O)c1ccco1 1772575131 KPOHUNRFFCQAAF-TXQCQQFXSA-N 398.850 2.696 10 1 GFCF CN(C)CCCn1c2c(c3cc4c(cc3c1=O)OCO4)C(=O)c1ccccc1-2 28572379 VCEDYYXAJUDJQQ-UHFFFAOYSA-N 376.412 2.893 10 1 GFCF CC(C)COC[C@@]1(N=[N+]=[N-])O[C@@H](n2ccc(N)nc2=O)[C@H](C)[C@@H]1OCC(C)C 84603449 MFMDVKWARMTSJE-NOVWEMISSA-N 394.476 2.711 10 1 GFCF CN(C)CCNc1ccc(NCCCCN)c2c1C(=O)c1ccccc1C2=O 28770191 LKXRNZMUZHIAKX-UHFFFAOYSA-N 380.492 2.586 10 1 GFCF Oc1cc(O)c(Oc2cc(O)cc(O)c2Oc2cc(O)c(O)c(O)c2)c(O)c1 14773821 BPSDRHMHFKUOAU-UHFFFAOYSA-N 390.300 2.916 10 1 GFCF biogenic C[C@H](CCCOC(=O)NC1CCCCC1)NC[C@@H](O)c1ccc(O)c(O)c1 27725566 RAOFRCCWFCMYBI-AUUYWEPGSA-N 380.485 2.948 10 1 GFCF O=C(O)c1nn(-c2ccc(S(=O)(=O)O)cc2)c(O)c1N=Nc1ccccc1 2356820810 FOLBQMDUXIDRFQ-UHFFFAOYSA-N 388.361 2.938 10 1 GFCF COc1cc([C@@H]2C[C@H](O)C[C@H](CCc3ccc(O)cc3)O2)c(CO)c(O)c1O 85596414 BXDGMKAIMSFREK-VKJFTORMSA-N 390.432 2.518 10 1 GFCF biogenic,in-vitro COc1cc2c(c(OC)c1OC)C(=O)c1cc(OC)c(OC)c(OC)c1C2=O 29568388 HUWWGCFJAFAAHJ-UHFFFAOYSA-N 388.372 2.514 10 1 GFCF O=C(/N=c1\[nH]ccs1)c1cc(CN2CCCC2)c(O)c(CN2CCCC2)c1 26816765 ZOCCKUFXGBOYBB-UHFFFAOYSA-N 386.521 2.715 10 1 GFCF COc1cccc2c1ccc1nc3ccc(N)c(C(=O)NCCN(C)C)c3nc12 27856899 AFCQCSDHVSLDOY-UHFFFAOYSA-N 389.459 2.818 10 1 GFCF CCN(CC)C(=O)COc1ccc(-c2cc(=O)c3c(O)c(O)c(O)cc3o2)cc1 473154508 IDWRZXABQHIHJA-UHFFFAOYSA-N 399.399 2.824 10 1 GFCF O=C(O)[C@H]1Nc2ccc(-c3ccc4c(O)nc(O)nc4n3)cc2[C@H]2C=CC[C@@H]12 587554372 IKONIJOYCBPRSS-USBNGQNGSA-N 376.372 2.641 10 1 GFCF O=C1c2c(cc(O)c(-c3ccc(O)c(O)c3)c2O)O[C@H]1Cc1ccc(O)c(O)c1 1857637661 RTVKMNQZELFGRP-KRWDZBQOSA-N 396.351 2.774 10 1 GFCF CS(=O)(=O)c1ccc(N2N=C(c3ccc(O)c(Cl)c3)CCC2=O)cc1 96911493 MWKFGHFHFRAIOI-UHFFFAOYSA-N 378.837 2.980 10 1 GFCF