smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
O=C1CC[C@H](c2c(O)cc3c(c2O)C[C@H](O)[C@@H](c2ccc(O)c(O)c2)O3)N1	2356347962	UCIRBQYYKCLWFF-MPSXMAJESA-N	373.361	1.497	10	1	FDCF	
O=C1O[C@H](c2ccc(O)c(O)c2)[C@@H]2C(=O)O[C@H](c3ccc(O)c(O)c3)[C@H]12	14959347	OMWNNTOFRRBAKJ-KLHDSHLOSA-N	358.302	1.637	10	1	FDCF	biogenic
CC[C@@]1(O)CCc2cc3c(c(O)c2[C@H]1O)C(=O)c1cccc(O)c1C3=O	85637187	YUBPRQYIYMCBKK-WOJBJXKFSA-N	354.358	1.994	10	1	FDCF	biogenic
COC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)/C=C\c1ccc(O)c(O)c1	13341236	XHALVRQBZGZHFE-DANOYGIBSA-N	374.345	1.850	10	1	FDCF	endogenous,in-man
O=C(N[C@H]1CN(Cc2ccccc2O)CCC[C@@H]1O)c1ccc(O)cc1	2356876502	ZLDWZNQNUCBJEG-HKUYNNGSSA-N	356.422	1.853	10	1	FDCF	
CN(C)c1ccc([C@@H]2SCC(=O)N2NC(=O)c2nccnc2N)cc1	653918434	FFNALQSTCMAQRS-INIZCTEOSA-N	358.427	1.044	10	1	FDCF	
O=C(NCc1ccc(O)c(O)c1)c1ccc2ccc(C(=O)O)c(O)c2n1	6525029	GFYMLRYNGZEAFF-UHFFFAOYSA-N	354.318	1.980	10	1	FDCF	
CC[C@]1(O)Cc2c(O)c3c(c(O)c2[C@H](O)C1)C(=O)c1c(O)cccc1C3=O	14686586	QPLXURBBRSWPAU-GIPWTMENSA-N	370.357	1.700	10	1	FDCF	biogenic
C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(=O)C(=O)CC2=O)N1	587818771	FMWBWPUGDZUZTH-ZIDLFYJRSA-N	354.175	1.819	10	1	FDCF	
CC(C)(C)c1oc(=O)oc1COC(=O)[C@@](C)(N)Cc1ccc(O)c(O)c1	27752711	FMRHZALNRFYRHW-SFHVURJKSA-N	365.382	1.945	10	1	FDCF	
CC(C)O[C@H]1N([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)C(=O)NC(=O)[C@]1(C)Cl	5963093	PXQTVVJAOJEANQ-QZQKCJMNSA-N	361.786	1.073	10	1	FDCF	
COc1ccc2c(c1)S(=O)(=O)N(Cc1ccccc1)CN2CC(=O)O	653848901	FXIVWKRIFQMVIM-UHFFFAOYSA-N	362.407	1.748	10	1	FDCF	
O=C1c2ccccc2-c2nn(CCNCCO)c3ccc(NCCO)c1c23	28757495	RITFGNDQDIKKBF-UHFFFAOYSA-N	366.421	1.234	10	1	FDCF	
Cc1ccc(N2C(=O)[C@@H]3CN(C)C4(C(=O)c5ccccc5C4=O)[C@H]3C2=O)cc1	1772601087	HETICUKJHJRLDA-IAGOWNOFSA-N	374.396	1.864	10	1	FDCF	
CN(C)CCNCC(=O)Nc1csc2c1C(=O)c1ccccc1C2=O	72105075	UJHRQNDOMJMOCT-UHFFFAOYSA-N	357.435	1.613	10	1	FDCF	
NC(=O)[C@@H](Cc1ccc(O)c(O)c1)[C@@H](Cc1ccc(O)c(O)c1)C(=O)O	13475484	MGQTXKULYUUFND-NWDGAFQWSA-N	361.350	1.097	10	1	FDCF	
O=C1N=C2[C@H](C(=O)N=C3SC([N+](=O)[O-])=CN32)[C@H](c2ccccc2O)N1	95583619	ZCWQOQRWLOWSCY-ZJUUUORDSA-N	359.323	1.192	10	1	FDCF	
Cc1c(O)ccc2c1[C@](C)(c1ccc(C(=O)O)cc1O)N[C@H](C(=O)O)C2	963512551	XGELHMQPFKQYDL-DJJJIMSYSA-N	357.362	1.967	10	1	FDCF	
COC(C)=Cc1oc(C(=O)C(=O)c2ccccc2)c2c1C(=O)[C@H](O)[C@@H](O)C2	2356788245	BYCKRSGGJOJCOA-SUMWQHHRSA-N	370.357	1.813	10	1	FDCF	
CN(C)CCc1cn(CCCCN2CC2)c2c1C(=O)c1ccncc1C2=O	71341289	MRDGAAIJBMNRSI-UHFFFAOYSA-N	366.465	1.858	10	1	FDCF	
CC(C)(O)[C@@H]1Cc2c(c(CO)cc3c2C(=O)c2cccc(O)c2C3=O)O1	13383129	XTQYMYODVMISSX-AWEZNQCLSA-N	354.358	1.734	10	1	FDCF	biogenic,in-vitro
[N-]=[N+]=N[C@H]1[C@@H](CO)O[C@@H](n2cnc3c(NC4CCCC4)ncnc32)[C@@H]1O	13766374	NIBISTMBSRBOAU-KVQFHVITSA-N	360.378	1.110	10	1	FDCF	
NCCCNc1ccc(NCCCN)c2c1C(=O)c1ccncc1C2=O	27978245	FEJUTIXNJIEQCH-UHFFFAOYSA-N	353.426	1.378	10	1	FDCF	
COC(=O)c1cc(O)c(O)c(Oc2c(C(=O)OC)cc(O)c(O)c2O)c1	238744568	LUWLTXCRDLNFAU-UHFFFAOYSA-N	366.278	1.580	10	1	FDCF	
COc1cc([C@H]2OC[C@@H]([C@@H](O)c3ccc(O)c(O)c3)[C@@H]2CO)ccc1O	14435836	ZDLBOZNAOGGREF-YRQNITAISA-N	362.378	1.842	10	1	FDCF	
O=CNC(=Cc1ccc(O)c(O)c1)C(=Cc1ccc(O)c(O)c1)NC=O	2356549863	KPWLCIMXGXBDGX-UHFFFAOYSA-N	356.334	1.383	10	1	FDCF	
O=C(NC[C@@H]1OC[C@H](NCc2ccccc2O)[C@@H]1O)Nc1ccccc1	2356747944	HZBSTGWVMJYDAF-SZMVWBNQSA-N	357.410	1.432	10	1	FDCF	
O=C1O[C@@H]([C@@H](C(=O)O)c2ccc(O)c(O)c2)C(O)=C1c1ccc(O)c(O)c1	2356833871	KKPSSEKEFZBPRL-HOCLYGCPSA-N	374.301	1.572	10	1	FDCF	
O=Cc1ccc2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](OS(=O)(=O)O)O2	13339847	HRSCGKVISDRQDA-HUUCEWRRSA-N	368.319	1.568	10	1	FDCF	biogenic
COC(=O)c1cc(O)c(O)c(O)c1-c1c(C(=O)OC)cc(O)c(O)c1O	13733610	DVBSEMAAHOLPTA-UHFFFAOYSA-N	366.278	1.160	10	1	FDCF	
CCCCOC(=O)OC[C@H]1O[C@H](n2cc(C)c(=O)[nH]c2=O)C[C@@H]1N=[N+]=[N-]	26825541	MXVPDNPBKUBQAY-TUAOUCFPSA-N	367.362	1.765	10	1	FDCF	
COc1cc(O)c2c(c1)CCCC(=O)C(=O)[C@@H](O)CCC[C@H](C)OC2=O	169728993	CZVAYVPOBIDGLC-FZMZJTMJSA-N	364.394	1.952	10	1	FDCF	
Cc1c2c3c(oc1=O)C(=O)c1c(O)c([C@@H](C)CO)c(O)c(O)c1[C@@]3(C)CC2	2356391648	WRUFFDREDJHSIU-JKNYTWMOSA-N	372.373	1.957	10	1	FDCF	
CN1C[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2C12C(=O)c1ccccc1C2=O	1772644949	NCCUFUYPORBWPH-SJORKVTESA-N	374.396	1.551	10	1	FDCF	
O=C1c2cc(O)cc(O)c2C(=O)c2c1cc1c(c2O)[C@H]2CC[C@H](O)C[C@@H]2O1	13369796	XHJKRNJSUIZZGE-XICLSFFLSA-N	368.341	1.968	10	1	FDCF	
COC(=O)c1ccnc2[nH]c(-c3cc(NS(C)(=O)=O)ccc3O)nc12	586948985	WPQNQFOWFWSADU-UHFFFAOYSA-N	362.367	1.489	10	1	FDCF	
CCCCOC(=O)OC[C@@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@@H]1N=[N+]=[N-]	26825528	MXVPDNPBKUBQAY-SDDRHHMPSA-N	367.362	1.765	10	1	FDCF	
COc1cc2c(cc1OC)C(=O)c1c(O)c(C(=O)O)c(C)c(O)c1C2=O	13484845	YPTILGBPXYYBCV-UHFFFAOYSA-N	358.302	1.897	10	1	FDCF	biogenic
COc1cc2c3c(c1)O[C@]1(c4ccccc4C(=O)C(=O)[C@H]1O)[C@@H](C2)C3=O	587449947	KWLOFILNNKZOIO-CJMONDIMSA-N	350.326	1.464	10	1	FDCF	
O=C(O)Cn1c(=O)c(/C=C/c2ccc(O)c(O)c2)nc2ccc(O)cc21	1772601785	XTSHELZEYBHZLB-DAFODLJHSA-N	354.318	1.768	10	1	FDCF	
Cc1cn([C@H]2C[C@@H](N=[N+]=[N-])[C@@H](CO)O2)c(=O)n(Cc2ccccc2)c1=O	29340734	PVXLDCORPRSPOJ-RBSFLKMASA-N	357.370	1.325	10	1	FDCF	
O=C(NCCNC[C@@H](O)COc1ccc(O)c(O)c1)Nc1ccccc1	26961275	RZYHKNUZFSQUIH-CQSZACIVSA-N	361.398	1.249	10	1	FDCF	
CC[C@@]1(C(N)=O)OC(=O)c2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	40895450	HBQACIPQEUFFRU-HXUWFJFHSA-N	361.357	1.686	10	1	FDCF	
O=C1NC(=S)S[C@H]1c1ccc(S(=O)(=O)Nc2ncccn2)cc1	13761319	KKIYYPBEMYBDNK-JTQLQIEISA-N	366.449	1.466	10	1	FDCF	
CCOC(=O)[C@@]1(C)N[C@H](c2ccc(N(C)C)cc2)[C@@H]2C(=O)N(CC)C(=O)[C@@H]21	103955769	NOSSHDVZLGRGSS-NLDJYOPPSA-N	373.453	1.340	10	1	FDCF	
CCO[P@]1(=O)C(C(=O)OC)=NN(CC)C12C(=O)c1ccccc1C2=O	40402814	QRUBLRYCBSLABW-RUZDIDTESA-N	364.294	1.899	10	1	FDCF	
CS(=O)(=O)Nc1ccc(O)c(-c2nc3[nH]c(=N)[nH]c(Cl)c-3n2)c1	586948431	GGMVOTLOORDRAA-UHFFFAOYSA-N	354.779	1.115	10	1	FDCF	
O=S(=O)(c1cc(Cl)cc(Cl)c1O)N1CCC[C@H]1c1nnn[nH]1	13687300	PVAMJWSWTDXDMD-QMMMGPOBSA-N	364.214	1.738	10	1	FDCF	
O=C(O)[C@H]1CSCN1S(=O)(=O)c1cc(Cl)cc(Cl)c1O	13687309	RBQJYPYYMZHKHT-SSDOTTSWSA-N	358.224	1.847	10	1	FDCF	
O=Cc1ccc2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](OS(=O)(=O)O)O2	13339845	HRSCGKVISDRQDA-CABCVRRESA-N	368.319	1.568	10	1	FDCF	biogenic
O=C(N[C@@H]1CN(Cc2ccccc2O)CCC[C@H]1O)c1ccc(O)cc1	15672244	ZLDWZNQNUCBJEG-IEBWSBKVSA-N	356.422	1.853	10	1	FDCF	biogenic
CCCCOC(=O)OC[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@@H]1N=[N+]=[N-]	26825532	MXVPDNPBKUBQAY-QJPTWQEYSA-N	367.362	1.765	10	1	FDCF	
CNCCNc1ccc2c3c(nn2CCN(C)C)-c2cnccc2C(=O)c13	27628871	IOAWOSQJVHESMA-UHFFFAOYSA-N	364.453	1.836	10	1	FDCF	
COc1cccc2c1C(=O)c1c(cc3c(c1O)CC[C@@](O)([C@@H](C)O)C3)C2=O	13432675	JYBPKPPLCSWFBF-UZJPJQLHSA-N	368.385	1.777	10	1	FDCF	biogenic
O=C(O)[C@@H](Cc1ccc(O)c(O)c1)[C@@H](Cc1ccc(O)c(O)c1)C(=O)O	13587795	HEWZPXBMFIXHJK-TXEJJXNPSA-N	362.334	1.696	10	1	FDCF	
OC[C@H]1O[C@H](Nc2ccc(N=Nc3ccccc3)cc2)[C@@H](O)[C@@H](O)[C@@H]1O	253983075	XLLPWDQXXAEDJC-ZBRFXRBCSA-N	359.382	1.314	10	3	FDCF	
CCN(CC)S(=O)(=O)c1ccc(/N=N\c2c(N)[nH]c(=O)[nH]c2=O)cc1	13118257	XHVJNXWORGNLJQ-HNENSFHCSA-N	366.403	1.091	10	1	FDCF	
Cc1cn([C@@H]2C[C@@H](N=[N+]=[N-])[C@H](CO)O2)c(=O)n(Cc2ccccc2)c1=O	40786070	PVXLDCORPRSPOJ-ILXRZTDVSA-N	357.370	1.325	10	1	FDCF	
CCO[C@]1(C)C[C@@H]2C(=O)c3c(O)c(OC)cc(O)c3C(=O)[C@@]2(O)CO1	31540975	KOMJHFZXRLRUMH-DFQXCPINSA-N	352.339	1.006	10	1	FDCF	biogenic
O=C(NCc1ccc(O)c(O)c1O)c1ccc2ccc(C(=O)O)c(O)c2n1	6525030	IITSQEXMDOMDMJ-UHFFFAOYSA-N	370.317	1.685	10	1	FDCF	
C[C@@]1(O)CC(=O)c2cc3c(c(O)c2[C@H]1O)C(=O)c1cccc(O)c1C3=O	238778994	SNYSTALZINLZKC-RTBURBONSA-N	354.314	1.244	10	1	FDCF	
CN1C[C@@H](NS(=O)(=O)N(C)C)C[C@H]2c3cccc4c3c(cn4C)C[C@H]21	14953526	JLVHTNZNKOSCNB-JLJPHGGASA-N	362.499	1.287	10	1	FDCF	
C[C@@H]1CN(C)C(=O)c2cc(N(C)C)ccc2O[C@@H]1CN(C)S(C)(=O)=O	95661057	OOMFJMXDTJIYLT-MLGOLLRUSA-N	369.487	1.113	10	1	FDCF	
COC(=O)[C@@H]1C[C@H]2CC[C@H](O)C[C@H]2N1Cc1ccc(N2CCOCC2)cc1	64622673	GPQRNZJCZKBIBV-MDNKFWRPSA-N	374.481	1.800	10	1	FDCF	
O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H](CO)[C@H](O)c1ccc(O)c(O)c1	95909973	NRVUZQPQUPWBKS-SEGSCTKESA-N	362.334	1.160	10	1	FDCF	biogenic,in-vitro
COc1cccc2c1C(=O)c1ccc3c(c1C2=O)C(=O)C[C@H](CO)[C@H]3O	2356803229	WVXGQSDQLYHBMZ-DYBLOJMWSA-N	352.342	1.699	10	1	FDCF	
CCOC(=O)c1nc2c(nc1C(=O)OCC)C(=O)c1ccccc1C2=O	1658978	JSQYFPHYSOZLPT-UHFFFAOYSA-N	354.318	1.605	10	1	FDCF	
C[C@]1(COc2ccc(N3CCOCC3)cc2)Cn2cc([N+](=O)[O-])nc2O1	34086761	DZQQLJLOVPBPAW-QGZVFWFLSA-N	360.370	1.858	10	1	FDCF	
Cc1cc(=O)oc2cc3occ(/C=C4/C(=O)NC(=O)N=C4O)c(=O)c3cc12	69062004	DXZWCCOCIFPNIT-UHFFFAOYSA-N	366.285	1.798	10	1	FDCF	
CN1CCN(C(=O)c2cc(O)c3c(c2)C(=O)c2cccc(O)c2C3=O)CC1	1152602539	XDTXPXITGSNYRM-UHFFFAOYSA-N	366.373	1.261	10	1	FDCF	
CN(C)C(=O)c1cccc(/N=c2\c(O)c(O)\c2=N/Cc2ccco2)c1O	36143781	DWERIYFZURYVBQ-AXPXABNXSA-N	355.350	1.307	10	1	FDCF	
O=C(O)[C@@H]1CSCN1S(=O)(=O)c1cc(Cl)cc(Cl)c1O	13687312	RBQJYPYYMZHKHT-ZETCQYMHSA-N	358.224	1.847	10	1	FDCF	
COC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)/C=C/c1cccc(O)c1	1857615805	HRBYCXMDUHQIAI-VFADXPBXSA-N	357.362	1.717	10	1	FDCF	
COc1c2c(c3c(c1OC)C(=O)c1c(O)c(C)cc(O)c1C3=O)OCO2	14437931	JKXHMVHBYLVNJU-UHFFFAOYSA-N	358.302	1.928	10	1	FDCF	biogenic,in-vitro
Oc1ccccc1CN[C@@H]1[C@H]2CO[C@@H](O2)[C@@H](n2cc(Cl)cn2)[C@H]1O	2356578557	WDWVAHYYAYCKFO-OWYFMNJBSA-N	351.790	1.058	10	1	FDCF	
O=C1c2ccccc2C(=O)c2c1nc(C1CC1)n2CCN1CCOCC1	1857751970	CVNHROCFWFRURS-UHFFFAOYSA-N	351.406	1.868	10	1	FDCF	
OCCSc1cc([C@H]2Oc3cc(O)cc(O)c3C[C@H]2O)cc(O)c1O	201367408	XIOKCUJHZVDLOT-CXAGYDPISA-N	366.391	1.631	10	1	FDCF	
O=C1c2ccccc2-c2nn(CCO)c3ccc(NCCNCCO)c1c23	28758943	CUCNLUVRCJRKTR-UHFFFAOYSA-N	366.421	1.234	10	1	FDCF	
NCC(=O)NCCCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2	64447394	MOSBBOZCMNYAOV-UHFFFAOYSA-N	361.401	1.678	10	1	FDCF	
O=C1NCCN1c1ccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)cc1	73141406	BZZHDBTWWVGARH-UHFFFAOYSA-N	361.379	1.746	10	1	FDCF	
CC(=O)N[C@@H]1[C@@H](N=[N+]=[N-])C=C(C(=O)O)O[C@H]1CNOCc1ccccc1	95585784	FEDPBVVZLGXDDU-AEGPPILISA-N	361.358	1.259	10	1	FDCF	
O=CNC(=C\c1ccc(O)c(O)c1)/C(=C/c1ccc(O)c(O)c1)NC=O	13408088	KPWLCIMXGXBDGX-GFIWHYBVSA-N	356.334	1.383	10	1	FDCF	
O=C1O[C@@H](c2ccc(O)c(O)c2)[C@@H]2C(=O)O[C@@H](c3ccc(O)c(O)c3)[C@@H]12	13434311	OMWNNTOFRRBAKJ-FZKCQIBNSA-N	358.302	1.637	10	1	FDCF	
COc1ccc(O)c2c1C(=O)c1ccc3c(c1C2=O)[C@@H](O)C[C@@](C)(O)C3	9083638	GEGOZMWTAFXSGR-YUNKPMOVSA-N	354.358	1.907	10	1	FDCF	biogenic
NCCNc1ccc2c3c(nn2CCO)-c2c(O)ccc(O)c2C(=O)c13	28758113	MFABDWFXIIWQCO-UHFFFAOYSA-N	354.366	1.022	10	1	FDCF	
Cc1c(O)ccc2c1[C@@](C)(c1ccc(C(=O)O)cc1O)N[C@H](C(=O)O)C2	963512553	XGELHMQPFKQYDL-ORAYPTAESA-N	357.362	1.967	10	1	FDCF	
CN(C)c1ccc2c(c1)[C@H]1C[C@@H](CC(=O)NCC3CC3)O[C@@H](CO)[C@H]1O2	95901864	JLJMCVQNTFDIRA-HUOQQOJOSA-N	360.454	1.663	10	1	FDCF	
C[C@@]1(O)Cc2c(O)c3c(c(O)c2[C@H](O)C1)C(=O)c1c(O)cccc1C3=O	14686536	SFRTWZQYMRMOOJ-GIGQVBGESA-N	356.330	1.309	10	1	FDCF	biogenic
N=C(N)/N=N/c1ccc(NNC(=N)N)c2ncc3c(nc4sccn43)c12	28475986	JTOQCNMQENORQD-XTQSDGFTSA-N	367.402	1.884	10	1	FDCF	
COc1cccc2c1C(=O)c1ccc3c(c1C2=O)C(=O)C[C@@](C)(O)[C@@H]3O	2356712802	OVGJWPXNMNXAPJ-WOJBJXKFSA-N	352.342	1.841	10	1	FDCF	
CCOC(=O)[C@@]1(CC)N[C@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(C)C(=O)[C@@H]21	19500732	LOQQSTKCOAGMGJ-ROYATCLZSA-N	373.453	1.340	10	1	FDCF	
NC[C@H](CCCCNC(=O)c1ccccc1)NC(=O)c1cccc(O)c1O	1857621481	CQJMJNZEFQALSN-HNNXBMFYSA-N	371.437	1.755	10	1	FDCF	
O=Cc1ccc2c(c1)O[C@@H](c1ccc(O)c(O)c1)[C@H](OS(=O)(=O)O)O2	13339846	HRSCGKVISDRQDA-GJZGRUSLSA-N	368.319	1.568	10	1	FDCF	biogenic
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@](C)(O)C[C@H]3O	15215782	YIIXPMGWOXLPHF-SBKAZYGRSA-N	370.357	1.612	10	1	FDCF	biogenic
COc1ccc(C[C@@H]2COC(=O)[C@@]2(O)Cc2ccc(O)c(O)c2)cc1OC	14646911	ICLKSXRVILEJPK-JLTOFOAXSA-N	374.389	1.804	10	1	FDCF	biogenic
C[C@]1(O)Cc2cc3c(c(O)c2[C@H](O)C1)C(=O)c1c(O)ccc(O)c1C3=O	83924412	ZXSUNXLOTJSSKD-WYRIXSBYSA-N	356.330	1.309	10	1	FDCF	biogenic,in-vitro
CCOC(=O)c1c(NC(=O)C[C@@H]2SC(=N)NC2=O)sc2c1CCC2	45245733	KIHMRMUMZYKJET-VIFPVBQESA-N	367.452	1.908	10	1	FDCF	
CCNC(=O)Nc1cn(C[C@H](O)CO)c2cc(-c3cccnc3)cnc12	653767979	SJXHDRBOVCPCJT-AWEZNQCLSA-N	355.398	1.593	10	1	FDCF	
CC1=NNC(=O)[C@@H]1/N=N/c1ccc(S(=O)(=O)Nc2nccs2)cc1	100905053	GVOQEMCDLZKQPG-QZAQEVDKSA-N	364.412	1.902	10	1	FDCF	
O=S(=O)(O)O[C@@H]1Cc2cc(O)cc(O)c2O[C@H]1c1ccc(O)c(O)c1	95617630	WTXWEAXATVSZQX-HIFRSBDPSA-N	370.335	1.373	10	1	FDCF	endogenous,in-man
O=C1CC[C@H](c2c(O)cc3c(c2O)C[C@H](O)[C@H](c2ccc(O)c(O)c2)O3)N1	2356347963	UCIRBQYYKCLWFF-UOTLPGLASA-N	373.361	1.497	10	1	FDCF	
CO[C@@H]1C=C[C@@]23c4cc5c(cc4N(CO[C@H]2COC(C)=O)C[C@@H]3C1)OCO5	2356369294	QEQPVHUWXQRMEE-FOEVPDMQSA-N	373.405	1.984	10	1	FDCF	
COc1ccc([C@@H](O)[C@H](O)c2cc(OC)c(OC)c(OC)c2)c(O)c1O	39009140	NTLAOHIJWLAUNZ-HUUCEWRRSA-N	366.366	1.899	10	1	FDCF	
COC(C)=Cc1oc(C(=O)C(=O)c2ccccc2)c2c1C(=O)[C@H](O)[C@H](O)C2	2356788142	BYCKRSGGJOJCOA-CXAGYDPISA-N	370.357	1.813	10	1	FDCF	
O=C1O[C@@H](c2ccc(O)c(O)c2)[C@H](C(=O)O)/C1=C\c1ccc(O)c(O)c1	14650589	OIVDIVRTEKNHDH-HYWCFLMXSA-N	358.302	1.891	10	1	FDCF	
O=C(NCCN1CCOCC1)c1cc2c(o1)C(=O)c1ccccc1C2=O	1857539509	HYRBINVMPNDOLN-UHFFFAOYSA-N	354.362	1.117	10	1	FDCF	
COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(O)c(O)c3)C2=O)cc1	1857767787	RONVJNBVROUIRW-UHFFFAOYSA-N	354.318	1.773	10	1	FDCF	
COc1cc(O)c2c(c1)C(=O)c1cc3c(c(O)c1C2=O)C(=O)O[C@@H](C)C3	13436851	SSQQPTXHAPOLHC-ZETCQYMHSA-N	354.314	1.983	10	1	FDCF	biogenic
CCOC(=O)[C@@]1(OCC)CC(=O)c2oc(=O)c3cc(O)c(O)c(O)c3c21	1911573828	CDBMEAOPAHNRAY-QGZVFWFLSA-N	364.306	1.291	10	1	FDCF	
COC(=O)c1cc(O)c(O)c(-c2c(O)c(O)c3c(c2O)C(=O)OC3)c1O	13480617	XENNNGWNHWFULP-UHFFFAOYSA-N	364.262	1.044	10	1	FDCF	biogenic
CO[C@H]1Cc2c(cc3c(c2O)C(=O)c2c(O)cccc2C3=O)C(=O)[C@]1(C)O	13369430	JYDSLMCACANRIN-RNODOKPDSA-N	368.341	1.378	10	1	FDCF	biogenic
CC(C)O[C@H]1N([C@@H]2C[C@@H](N=[N+]=[N-])[C@@H](CO)O2)C(=O)N=C(O)[C@]1(C)Cl	27433683	PXQTVVJAOJEANQ-FUTKKQLCSA-N	361.786	1.913	10	1	FDCF	
COc1cccc2c1C(=O)c1cc3c(cc1C2=O)C[C@](O)([C@@H](C)O)C[C@H]3O	2356719809	IXTBRJOWYAXVBE-ONSGQHNLSA-N	368.385	1.562	10	1	FDCF	
COc1cc(O)c2c(c1)CCCC(=O)C(=O)[C@H](O)CCC[C@H](C)OC2=O	169728994	CZVAYVPOBIDGLC-SMDDNHRTSA-N	364.394	1.952	10	1	FDCF	
CCNC(=O)c1cc(=O)c(O)c2c(O)c(O)c(Br)cc2c1	1857614055	JIZBFRUSMJRPKS-UHFFFAOYSA-N	354.156	1.829	10	1	FDCF	
O=S(=O)(O)O[C@@H]1Cc2cc(O)cc(O)c2O[C@@H]1c1ccc(O)c(O)c1	95617629	WTXWEAXATVSZQX-UKRRQHHQSA-N	370.335	1.373	10	1	FDCF	endogenous,in-man
CC(C)(C)C(=O)N1Cc2cc(N3CCOCC3)ccc2-n2nncc2C1	95601618	KVRHVTMJJIHOHX-UHFFFAOYSA-N	355.442	1.992	10	3	FDCF	
Cc1cn([C@@H]2C[C@H](N=[N+]=[N-])[C@@H](COC(=O)c3cccnc3)O2)c(=O)[nH]c1=O	17176717	KMIYVSVERCALME-XQQFMLRXSA-N	372.341	1.063	10	1	FDCF	
NCCS[C@H]1c2c(O)cc(O)cc2O[C@@H](c2ccc(O)c(O)c2)[C@H]1O	100825568	RTWGDOBXVVOEQF-IKGGRYGDSA-N	365.407	1.737	10	1	FDCF	endogenous,in-man
COc1cc2c(c3c1C[C@@](C)(O)[C@@H](O)C3=O)C(=O)c1cccc(O)c1C2=O	238788059	LROLIRYZVMOFSP-VQTJNVASSA-N	368.341	1.027	10	1	FDCF	
COC(=O)Cc1c(O)cc(O)c2c(=O)cc(-c3ccc(O)c(O)c3)oc12	205835622	PXIBTNJNDHNAJH-UHFFFAOYSA-N	358.302	1.998	10	1	FDCF	
COC(=O)C1=C(C(=O)OC)C(=S)[C@H]2SC(=S)S[C@@H]2C1=S	101071951	APKPIVAAWYXKLN-HTQZYQBOSA-N	364.516	1.885	10	1	FDCF	
CO[C@@H]1Cc2c(cc3c(c2O)C(=O)c2c(O)cccc2C3=O)C(=O)[C@@]1(C)O	13369425	JYDSLMCACANRIN-XCLFUZPHSA-N	368.341	1.378	10	1	FDCF	biogenic
O=C1NC(=O)[C@](CN2Cc3ccc(F)cc3C2=O)(c2ccccc2O)N1	49036872	JCJNPNRZJNFMTI-SFHVURJKSA-N	355.325	1.222	10	1	FDCF	
CNS(=O)(=O)c1ccc(N(C)C(=O)/C=C/c2ccc(O)c(O)c2)cc1	13649997	NAUGKQDCTGZZIO-ONNFQVAWSA-N	362.407	1.682	10	1	FDCF	
O=C1O[C@H](c2ccc(O)c(O)c2)[C@H](C(=O)O)C1=Cc1ccc(O)c(O)c1	2356448082	OIVDIVRTEKNHDH-HZPDHXFCSA-N	358.302	1.891	10	1	FDCF	
C[C@@H](C(=O)O)[C@@H]1Cc2c(cc3c(c2O)CN([C@H](C)CCC(=O)O)C3=O)O1	103291159	UEYUGQNDRBSZRZ-KKFJDGPESA-N	363.366	1.626	10	1	FDCF	
O=C1O[C@H](c2ccc(O)c(O)c2)[C@@H]2C(=O)O[C@@H](c3ccc(O)c(O)c3)[C@@H]12	13434309	OMWNNTOFRRBAKJ-GEEKYZPCSA-N	358.302	1.637	10	1	FDCF	biogenic
Cc1cc2c(cc1O)[C@@](Cc1ccc(O)c(O)c1)(C(=O)O)N[C@H](C(=O)O)C2	963508664	KUATUOXQDJQYFY-DJJJIMSYSA-N	373.361	1.233	10	1	FDCF	
O=C(NCCCC[C@H](CO)NC(=O)c1cccc(O)c1O)c1ccccc1	2356852107	QNENUNKJDXUZPE-OAHLLOKOSA-N	372.421	1.789	10	1	FDCF	
CN1CCN(c2ccc(-c3nc4cncc5c4n3CCNC5=O)cc2)CC1	1857611069	SGPLMYUKLQIIKO-UHFFFAOYSA-N	362.437	1.594	10	1	FDCF	
CN(C)c1ccc(CNC(=O)CNC(=O)Nc2ccc(C(=N)N)cc2)cc1	29249734	DHLWVZIHLVZPDF-UHFFFAOYSA-N	368.441	1.475	10	1	FDCF	
COc1cc(CCCO)ccc1O[C@@H](CO)[C@@H](O)c1ccc(O)c(O)c1	2356674754	SWLUBQRBRBHKLA-OALUTQOASA-N	364.394	1.505	10	1	FDCF	
COc1cc(/C=C\c2nc3cccc(S(N)(=O)=O)c3[nH]2)cc(O)c1O	587785884	PGLHRANQUCRNNK-WAYWQWQTSA-N	361.379	1.801	10	1	FDCF	
COc1c(O)c2c(c(OC)c1OC)C(=O)c1c(O)c(C)cc(O)c1C2=O	59066511	MEHFFTKCQDPUMR-UHFFFAOYSA-N	360.318	1.913	10	1	FDCF	in-vitro
O=C(NCCCCCNC(=O)c1cccc(O)c1O)c1cccc(O)c1O	40431154	BRWLZTCRFJVZDD-UHFFFAOYSA-N	374.393	1.839	10	1	FDCF	in-vitro
CC1=NN(C(N)=S)C(=O)[C@H]1/N=N/c1c(C)n(C)n(-c2ccccc2)c1=O	84459864	FHFCOSNPTBGCJT-RUWSDDDDSA-N	371.426	1.398	10	1	FDCF	
CC[C@@H](CO)NC(=O)[C@H]1C=C2c3cccc4c3c(cn4C)C[C@H]2N(C)C1	53267869	KPJZHOPZRAFDTN-YZVOILCLSA-N	353.466	1.935	10	1	FDCF	
CC1=NN(C(N)=S)C(=O)[C@@H]1/N=N/c1c(C)n(C)n(-c2ccccc2)c1=O	66129390	FHFCOSNPTBGCJT-ROHOOWMXSA-N	371.426	1.398	10	1	FDCF	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(=O)C(=O)CC2=O)N1	587818734	FMWBWPUGDZUZTH-KWKYVRJSSA-N	354.175	1.819	10	1	FDCF	
[N-]=[N+]=Cc1nc2ccc(O)c3c2c(c1C[C@H](N)C(=O)O)-c1ccccc1C3=O	586986991	IRXRXDVBUXFKAH-LBPRGKRZSA-N	374.356	1.755	10	1	FDCF	
CC1=C(C(=O)NCc2ccc(N)cc2)[C@H](C(C)C)N(C(=O)CC(=O)O)O1	96283449	ZOODZYUWJGCNEZ-KRWDZBQOSA-N	361.398	1.432	10	1	FDCF	
O=C1c2c(O)cccc2[C@@]2(O)C[C@@H]1[C@]13O[C@]21C(=O)c1c(O)cccc1C3=O	15151358	QAPNZELUQQYESC-DKBTWMDRSA-N	364.309	1.089	10	1	FDCF	
Cc1ccc(S(=O)(=O)n2cc3c4c2C(=O)c2n[nH]cc2C4=NCC3)cc1	13687116	PIHYOWLGGJTWAG-UHFFFAOYSA-N	366.402	1.695	10	1	FDCF	
COc1cc2c(c(OC)c1OC)C(=O)c1c(O)cc(CO)c(OC)c1C2=O	14645663	XZFBINPJBBQLHQ-UHFFFAOYSA-N	374.345	1.694	10	1	FDCF	biogenic
O=C(NC[C@@H]1OC[C@@H](NCc2ccccc2O)[C@H]1O)c1ccc(F)cc1	2356287450	JFEFBAGRGRHQND-BPQIPLTHSA-N	360.385	1.179	10	1	FDCF	
O=C(O)[C@H](Cc1ccc(O)c(O)c1)[C@@H](Cc1ccc(O)c(O)c1)C(=O)O	3589968	HEWZPXBMFIXHJK-VXGBXAGGSA-N	362.334	1.696	10	1	FDCF	
C[C@H]1CN([C@@H](C)CO)C(=O)Cc2cc(N(C)C)ccc2O[C@@H]1CN(C)C	95837402	USULTRQPIHELKR-YZVOILCLSA-N	363.502	1.463	10	1	FDCF	
CCC[C@@H](O)CN1CCC(=O)N(CCOC)Cc2cc3c(cc21)OCO3	299852235	PFUCLDZUWQBUQV-OAHLLOKOSA-N	364.442	1.761	10	1	FDCF	
CC1=NN(C(N)=S)C(=O)[C@@H]1N=Nc1c(C)n(C)n(-c2ccccc2)c1=O	254005541	FHFCOSNPTBGCJT-GFCCVEGCSA-N	371.426	1.398	10	3	FDCF	
O=c1nc(/N=N/c2ccc(O)cc2)ccn1[C@@H]1O[C@H](CO)[C@@H](O)C1(F)F	96934619	ZSTMAKKQKBZHOU-JWPNEDTCSA-N	368.296	1.250	10	1	FDCF	
C[C@]1(O)Cc2cc3c(c(O)c2[C@@H](O)C1)C(=O)c1c(O)ccc(O)c1C3=O	83924417	ZXSUNXLOTJSSKD-WLRWDXFRSA-N	356.330	1.309	10	1	FDCF	biogenic,in-vitro
CN(C)C(=O)[C@H]1CCCN(CCC(=O)c2ccc(O)c(O)c2[N+](=O)[O-])C1	13677669	FSIWJBLLJANEGQ-NSHDSACASA-N	365.386	1.379	10	1	FDCF	
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](C)(O)C[C@H]3O	15215778	YIIXPMGWOXLPHF-CFMSYZGJSA-N	370.357	1.612	10	1	FDCF	biogenic
CN1C[C@@H](NS(=O)(=O)N(C)C)C[C@H]2c3cccc4c3c(cn4C)C[C@@H]21	44559692	JLVHTNZNKOSCNB-QRTARXTBSA-N	362.499	1.287	10	1	FDCF	
COc1cc(/C=C/c2nc3ccc(S(N)(=O)=O)cc3[nH]2)cc(O)c1O	587785900	PMTNHVKGCFTFDN-GORDUTHDSA-N	361.379	1.801	10	1	FDCF	
COc1cc(/C=C/c2nc3cccc(S(N)(=O)=O)c3[nH]2)cc(O)c1O	587785864	PGLHRANQUCRNNK-AATRIKPKSA-N	361.379	1.801	10	1	FDCF	
Cc1cn([C@@H]2C[C@@H](N=[N+]=[N-])[C@@H](COC(=O)c3cccnc3)O2)c(=O)[nH]c1=O	17176715	KMIYVSVERCALME-UPJWGTAASA-N	372.341	1.063	10	1	FDCF	
COc1cc(OC)c2c(c1)C(=O)c1cc(CNCCO)cc(OC)c1C2=O	29338249	YLQGCNGSCYMKPD-UHFFFAOYSA-N	371.389	1.570	10	1	FDCF	
COC(=O)[C@H](O)CS[C@@H]1CC(=O)C(=O)CCCCC[C@H](C)OC1=O	2356325785	QVKWIAHHXHGDHB-ZLKJLUDKSA-N	360.428	1.046	10	1	FDCF	
Cc1cccc(Cl)c1NC(=S)NN/C=C1/C(=O)NC(=O)N=C1O	96930162	JDXMZCIREIBEQO-UHFFFAOYSA-N	353.791	1.530	10	1	FDCF	
O=C(/C=C\c1ccc(O)c(O)c1)O[C@@H](Cc1cccc(O)c1O)C(=O)O	238766040	ZZAFFYPNLYCDEP-PKYBCLHXSA-N	360.318	1.761	10	1	FDCF	
CCOC(=O)CCNC(=O)c1cccc2c1C(=O)c1cccc(O)c1C2=O	103243252	BNDAIKMCXHOKNJ-UHFFFAOYSA-N	367.357	1.851	10	1	FDCF	
O=C1CSC(=S)N1c1ccc(S(=O)(=O)Nc2ncccn2)cc1	45286151	GTKMMNYWEVTTPV-UHFFFAOYSA-N	366.449	1.642	10	1	FDCF	
Cc1cc(-c2ccc(C(=O)O)c(O)c2)oc1C=C1C(=O)NC(=S)NC1=O	40974462	XOWWOBJFHIDRDL-UHFFFAOYSA-N	372.358	1.573	10	1	FDCF	
CN(C)CCn1nc2c3c(c(NCCN)ccc31)C(=O)c1ccncc1-2	1538982	SBRKGHGNFWALJA-UHFFFAOYSA-N	350.426	1.575	10	1	FDCF	
NC(=O)CCn1c2c(c3ccc([N+](=O)[O-])cc3c1=O)C(=O)c1ccccc1-2	95585163	QZIUMAKRUFSWHG-UHFFFAOYSA-N	363.329	1.997	10	1	FDCF	
O=C1CCc2c(cc(O)c(O)c2-c2c(O)c(O)cc3c2CCC(=O)O3)O1	238746760	GQDZHCYHCPDQPJ-UHFFFAOYSA-N	358.302	1.879	10	1	FDCF	
Oc1nc(O)c2ccc(-c3ccc(O)c(CN4CCOCC4)c3)nc2n1	587556701	CTGLWHGJJLFQGF-UHFFFAOYSA-N	354.366	1.641	10	1	FDCF	
O=C1c2cc(O)cc(O)c2C(=O)c2c1cc1c(c2O)[C@H]2CC[C@@H](O)C[C@H]2O1	3953200	XHJKRNJSUIZZGE-BZTNIEFMSA-N	368.341	1.968	10	1	FDCF	
O=C1c2cc(O)cc(O)c2C(=O)c2c1c(O)c1cc(O)cc(O)c1c2O	14647669	PHYUQMBGSCMYTB-UHFFFAOYSA-N	354.270	1.849	10	1	FDCF	biogenic
O=C(N[C@H]1CN(Cc2ccccc2O)CCC[C@H]1O)c1ccc(O)cc1	2356876504	ZLDWZNQNUCBJEG-PKOBYXMFSA-N	356.422	1.853	10	1	FDCF	
N=C1NC(=O)[C@@H](CC(=O)Nc2sc3c(c2C(=O)O)CCCC3)S1	167975154	CGTLUGZPUHMIDW-MRVPVSSYSA-N	353.425	1.820	10	1	FDCF	
CN1C[C@@H](NS(=O)(=O)N(C)C)C[C@@H]2c3cccc4c3c(cn4C)C[C@@H]21	72186814	JLVHTNZNKOSCNB-LXZKKBNFSA-N	362.499	1.287	10	1	FDCF	
O=C1c2cc(O)cc(O)c2C(=O)c2c1cc1c(c2O)[C@@H]2CC[C@@H](O)C[C@@H]2O1	13369798	XHJKRNJSUIZZGE-JPVBRFOXSA-N	368.341	1.968	10	1	FDCF	biogenic
CC[C@]1(O)CCc2c(O)c3c(c(O)c2[C@@H]1O)C(=O)c1c(O)cccc1C3=O	2356688833	NZWQEPAWMMWGOL-PMACEKPBSA-N	370.357	1.700	10	1	FDCF	
COc1ccc(N2CCOCC2)cc1Nc1nc(N)n(-c2ccccn2)n1	72128605	WPFRNEQAKJNVPZ-UHFFFAOYSA-N	367.413	1.833	10	1	FDCF	
O=C1O/C(=C(\C(=O)O)c2ccc(O)cc2)C(O)=C1c1cc(O)c(O)c(O)c1	15262653	XLCYRDAATIMMJG-SSZFMOIBSA-N	372.285	1.831	10	1	FDCF	endogenous,in-man
COc1c(O)cc([C@H]2CC(=O)c3c(O)c(O)c(O)c(O)c3O2)c(O)c1O	2356501832	OEMGXTOORNZOFO-SSDOTTSWSA-N	366.278	1.341	10	1	FDCF	
O=C(O)C[C@H](O)Cc1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O	586888503	HZGZUHYFQSFUNO-SECBINFHSA-N	350.330	1.716	10	1	FDCF	
COc1c(O)cc2c(c1OC)C(=O)c1c(O)cc(CO)c(OC)c1C2=O	14645659	RZTYULFUADBMOI-UHFFFAOYSA-N	360.318	1.391	10	1	FDCF	biogenic
COc1ccc(C=CC(=O)NC[C@@H](O)c2ccc(O)c(O)c2)cc1OC	2356573135	APFQWDNGFUWSGP-MRXNPFEDSA-N	359.378	1.978	10	1	FDCF	
O=C(O)CCN1C(=O)/C(=C2/C(=O)N[C@@H]3C=CC(Cl)=C[C@@H]23)SC1=S	914431424	NLLDCQPHRJHMSX-MBMNNGIVSA-N	370.839	1.383	10	1	FDCF	
CO[C@H]1Cc2c(cc3c(c2O)C(=O)c2c(O)cccc2C3=O)C(=O)[C@@]1(C)O	13369428	JYDSLMCACANRIN-RBZFPXEDSA-N	368.341	1.378	10	1	FDCF	biogenic
CC(C)C[C@@]1(C(=O)O)N[C@H](c2ccccc2O)[C@@H]2C(=O)N(C(C)C)C(=O)[C@@H]21	169293783	AHUNSMBXSCWDLT-AXHMDWHKSA-N	374.437	1.916	10	1	FDCF	
COc1cccc2c1C(=O)c1cc3c(cc1C2=O)C[C@](O)([C@H](C)O)C[C@H]3O	2356719807	IXTBRJOWYAXVBE-ITEUGOKGSA-N	368.385	1.562	10	1	FDCF	
C[C@]1(O)CC(=O)c2c(c(O)c(O)c3c2C(=O)c2cccc(O)c2C3=O)C1	14764891	WRVRMGBVOZAWOS-LJQANCHMSA-N	354.314	1.459	10	1	FDCF	biogenic
Cc1cn([C@@H]2C[C@H](N=[N+]=[N-])[C@H](CO)O2)c(=O)n(Cc2ccccc2)c1=O	40786066	PVXLDCORPRSPOJ-KKUMJFAQSA-N	357.370	1.325	10	1	FDCF	
NC1=NC(=O)/C(=C/c2cccc(-c3ccc(S(N)(=O)=O)cc3)c2)S1	15935003	AIYSNOAATXHFRO-ZROIWOOFSA-N	359.432	1.930	10	3	FDCF	
O=C(NC[C@@H]1OC[C@H](NCc2ccccc2O)[C@@H]1O)c1ccc(F)cc1	2356287453	JFEFBAGRGRHQND-SZMVWBNQSA-N	360.385	1.179	10	1	FDCF	
O=C1c2c(O)ccc(O)c2-c2ncnc3ccc(NCCNCCO)c1c23	27102024	SFWIOJRIQXHZRV-UHFFFAOYSA-N	366.377	1.246	10	1	FDCF	
C[C@H]1CN([C@H](C)CO)C(=O)Cc2cc(N(C)C)ccc2O[C@H]1CN(C)C	95846987	USULTRQPIHELKR-KHYOSLBOSA-N	363.502	1.463	10	1	FDCF	
COc1ccc(N2CCN(C[C@H](O)c3ccc(O)c(C(N)=O)c3)CC2)cc1	26993503	QACAIYPQJWXKHN-IBGZPJMESA-N	371.437	1.355	10	1	FDCF	
CCCCn1c2nc(=O)n(C)c(=O)c-2cc2c1C(=O)C(=O)c1ccccc1-2	27851060	HYDREUQVBUAZBH-UHFFFAOYSA-N	363.373	1.893	10	1	FDCF	
OC[C@@H](O)COCc1cc(O)c(O)c(Br)c1Br	199773730	DXNGZWOJMCXYSX-ZCFIWIBFSA-N	372.009	1.493	10	1	FDCF	
O=C1c2cccc([N+](=O)[O-])c2C(=O)[C@H]1c1ccc2c(O)nc(O)nc2n1	587552627	ASYZHPZHXSRTEN-NSHDSACASA-N	352.262	1.507	10	1	FDCF	
O=C1CC2=CC(=[S@](=O)(O)N3CCN(c4ccc(O)cc4)CC3)C=CC2=N1	888075888	UKMIJPXRALJFCF-UHFFFAOYSA-N	373.434	1.227	10	1	FDCF	
O=C1O/C(=C(/C(=O)O)c2ccc(O)cc2)C(O)=C1c1cc(O)c(O)c(O)c1	85637484	XLCYRDAATIMMJG-DTQAZKPQSA-N	372.285	1.831	10	1	FDCF	
O=c1[nH]nc(Sc2ncc([N+](=O)[O-])s2)n1-c1ccc2c(c1)OCO2	40395395	ZXEYSXDRLYOVCP-UHFFFAOYSA-N	365.352	1.805	10	1	FDCF	
NS(=O)(=O)c1ccc(/N=N/c2c(=O)[nH]c3ccc4[nH][nH]nc4c23)cc1	169685141	YEJVJNPGUUFGLZ-HTXNQAPBSA-N	357.355	1.795	10	1	FDCF	
COc1cc2c(c3c1C[C@](C)(O)[C@H](O)C3=O)C(=O)c1cccc(O)c1C2=O	2356588899	LROLIRYZVMOFSP-UXHICEINSA-N	368.341	1.027	10	1	FDCF	
COc1ccc2c(c1)OC(N)=C1C(=O)N(Cc3ccc(N)cc3)C(=O)C[C@H]12	206392827	GYHLBLDSSBZBFJ-HNNXBMFYSA-N	365.389	1.883	10	3	FDCF	
COc1cccc2c1C(=O)c1ccc3c(c1C2=O)C(=O)[C@@H](O)[C@@](C)(O)C3	2356584411	CYUIQPZRYPIJJM-UXHICEINSA-N	352.342	1.321	10	1	FDCF	
O=C1O[C@H](c2cc(O)c(O)c(O)c2)[C@@H]2CO[C@@H](c3ccc(O)c(O)c3)[C@@H]12	2356635618	DTZCVRFYONZFRA-MTZKCBSISA-N	360.318	1.816	10	1	FDCF	
O=C(O)c1ccc(C(=O)O)c2c1c(C(=O)O)c1cccnc1[n+]2C(=O)O	40953854	FUODMOGKIDHLFS-UHFFFAOYSA-O	357.254	1.296	10	1	FDCF	biogenic
CC(C)C[C@@]1(C(=O)O)N[C@H](c2ccccc2O)[C@H]2C(=O)N(C(C)C)C(=O)[C@@H]21	13147082	AHUNSMBXSCWDLT-QCBUCWTNSA-N	374.437	1.916	10	1	FDCF	
O=C1NC(=S)N=C(O)/C1=C/NNC(=S)Nc1ccc(Cl)cc1	96930161	BRQCAVCIYXIBFK-UHFFFAOYSA-N	355.832	1.386	10	1	FDCF	
CS(=O)(=O)Nc1ccc(O)c(-c2nc3ccc(-n4cnnn4)cc3[nH]2)c1	586949022	XPEIGCSORGVXQP-UHFFFAOYSA-N	371.382	1.283	10	1	FDCF	
C/C=C\c1cc2c(c(=O)o1)-c1c(O)c(O)c(OC)c(C(=O)O)c1[C@H](O)O2	207601430	ZFHFTSQJDRLEMK-CWIOURORSA-N	362.290	1.841	10	1	FDCF	
O=C(NCc1cccc(O)c1O)c1ccc2ccc(C(=O)O)c(O)c2n1	26506323	YZZGTSSEFVWOMC-UHFFFAOYSA-N	354.318	1.980	10	1	FDCF	
COc1cc(O)c2c(c1)C(=O)c1c(O)c3c(c(O)c1C2=O)C(=O)O[C@H](C)C3	13436854	NWKXJUHARHFAFD-ZCFIWIBFSA-N	370.313	1.689	10	1	FDCF	biogenic
O=C1O[C@@H](c2ccc(O)c(O)c2)[C@@H]2C(=O)O[C@H](c3ccc(O)c(O)c3)[C@H]12	14959344	OMWNNTOFRRBAKJ-FPCVCCKLSA-N	358.302	1.637	10	1	FDCF	biogenic
CN1C[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2C12C(=O)c1ccccc1C2=O	1772573882	PVQLJECXCVEEQE-CVEARBPZSA-N	360.369	1.556	10	1	FDCF	
COc1cc(C=C2C(=O)O[C@H](C(=O)O)[C@H]2c2ccc(O)c(O)c2)ccc1O	2356739259	NAEJDUPVTGZEOB-IRXDYDNUSA-N	372.329	1.989	10	1	FDCF	
O=C1c2c(F)ccc(F)c2C(=O)c2c(NCCO)ccc(NCCO)c21	45298487	PREOWIWJZNDSFH-UHFFFAOYSA-N	362.332	1.549	10	1	FDCF	
COc1cc(N(C)Cc2ccc3nc(N)nc(N)c3n2)cc(OC)c1OC	5849976	DQLHWXMDFBDATJ-UHFFFAOYSA-N	370.413	1.851	10	1	FDCF	
C[C@H](O)C(=O)Oc1cc(O)c2c(=O)cc(-c3ccc(O)c(O)c3)oc2c1	14757170	RWLCWWWLTRAVKI-QMMMGPOBSA-N	358.302	1.863	10	1	FDCF	biogenic
COc1cccc2c1C(=O)c1ccc3c(c1C2=O)C(=O)[C@H](O)[C@@](C)(O)C3	2356584410	CYUIQPZRYPIJJM-PMACEKPBSA-N	352.342	1.321	10	1	FDCF	
OC[C@H]1O[C@@H](Nc2ccc(/N=N\c3ccccc3)cc2)[C@@H](O)[C@@H](O)[C@@H]1O	102108388	XLLPWDQXXAEDJC-BOQIDCAVSA-N	359.382	1.314	10	1	FDCF	
Cc1c2c(cc(=O)n1CCO)C(=O)c1cc3cccc(O)c3c(O)c1C2=O	2356822557	FWVBXPKJZZZBSR-UHFFFAOYSA-N	365.341	1.489	10	1	FDCF	
COC(=O)C[C@H]1c2c(O)cc(O)cc2O[C@H](c2ccc(O)c(O)c2)[C@@H]1O	238746896	LRFSQTVIZPMCSB-UFMUVLMGSA-N	362.334	1.650	10	1	FDCF	
O=C(O)Cn1c(=O)c(/C=C/c2ccc(O)c(O)c2)nc2cc(O)ccc21	1772606396	BQAXULJRTVGXGZ-DAFODLJHSA-N	354.318	1.768	10	1	FDCF	
Cc1cc(O)c2c(c1)C(=O)c1cc(OCC=C(CO)CO)cc(O)c1C2=O	14814367	KXYDNSYCGHPPDC-UHFFFAOYSA-N	370.357	1.471	10	1	FDCF	biogenic
NS(=O)(=O)c1ccc(/N=N/Cc2ccc(O)c(O)c2O)c([N+](=O)[O-])c1	169688198	NFIJMALGHYHFGH-FOCLMDBBSA-N	368.327	1.643	10	1	FDCF	
Cc1c2c3c(oc1=O)C(=O)c1c(O)c([C@H](C)CO)c(O)c(O)c1[C@]3(C)CC2	2356391649	WRUFFDREDJHSIU-JLPJYYFKSA-N	372.373	1.957	10	1	FDCF	
CC1=NN(C(N)=S)C(=O)[C@H]1N=Nc1c(C)n(C)n(-c2ccccc2)c1=O	254005543	FHFCOSNPTBGCJT-LBPRGKRZSA-N	371.426	1.398	10	3	FDCF	
O=C1c2ccccc2-c2c1c1ccc([N+](=O)[O-])cc1c(=O)n2C[C@@H](O)CO	103240025	VKOFORAZWBGECJ-LLVKDONJSA-N	366.329	1.474	10	1	FDCF	
C[C@]1(O)CCc2c(O)c3c(c(O)c2[C@@H]1O)C(=O)c1cccc(O)c1C3=O	14686552	YFHZESLRJALUJG-OALUTQOASA-N	356.330	1.309	10	1	FDCF	biogenic
COc1ccc([C@H](O)[C@@H](O)c2cc(OC)c(OC)c(OC)c2)c(O)c1O	39054179	NTLAOHIJWLAUNZ-GJZGRUSLSA-N	366.366	1.899	10	1	FDCF	
CC[C@@]1(O)Cc2cc3c(c(O)c2[C@@H](O)C1)C(=O)c1c(O)cccc1C3=O	83922600	VEGKEBGNNYINQB-RNODOKPDSA-N	354.358	1.994	10	1	FDCF	biogenic,in-vitro
O=C1O/C(=C2/C(=O)Oc3cc(O)c(O)cc32)C(O)=C1c1ccc(O)cc1	85637438	KSBHFBKGAVZFRD-JQIJEIRASA-N	354.270	1.960	10	1	FDCF	
CC[C@]1(O)Cc2c(cc3c(c2O)C(=O)c2cccc(O)c2C3=O)[C@@H](O)C1	13398238	FOBDELRRPLBMOS-XOBRGWDASA-N	354.358	1.994	10	1	FDCF	biogenic
O=C1O[C@H](c2cc(O)c(O)c(O)c2)[C@@H]2CO[C@@H](c3ccc(O)c(O)c3)[C@H]12	2356635619	DTZCVRFYONZFRA-OZNWIZEOSA-N	360.318	1.816	10	1	FDCF	
CC(C)(O)[C@H]1Cc2c(c(CO)cc3c2C(=O)c2cccc(O)c2C3=O)O1	13383130	XTQYMYODVMISSX-CQSZACIVSA-N	354.358	1.734	10	1	FDCF	biogenic
COC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)/C=C/c1ccc(O)c(O)c1	26262230	WCKQISDLXKTVDV-FUVBFXSKSA-N	357.362	1.717	10	1	FDCF	
O=C(O)CN1C(=O)/C(=C/c2cc3ccccc3n3nnnc23)SC1=S	653723615	NVEBZQYMAOURKY-WDZFZDKYSA-N	371.403	1.563	10	1	FDCF	
COc1cccc2c1C(=O)c1c(cc3c(c1O)CC[C@@](O)([C@H](C)O)C3)C2=O	13432674	JYBPKPPLCSWFBF-CWKPULSASA-N	368.385	1.777	10	1	FDCF	biogenic
COC(=O)[C@H]1OC(=O)/C(=C/c2ccc(O)c(O)c2)[C@@H]1c1ccc(O)c(O)c1	238768189	KUDJYNNJBGQLRN-ODPBWZCHSA-N	372.329	1.775	10	1	FDCF	
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](C)(O)C[C@@H]3O	15215784	YIIXPMGWOXLPHF-WVDJIFEKSA-N	370.357	1.612	10	1	FDCF	biogenic
N=C1NC(=O)[C@H](CC(=O)Nc2sc3c(c2C(=O)O)CCCC3)S1	167975040	CGTLUGZPUHMIDW-QMMMGPOBSA-N	353.425	1.820	10	1	FDCF	
COc1cccc(N2CCN(CCC(=O)Nc3ccc(N)cc3)CC2)n1	29551419	JJBFLDDWHPWOKS-UHFFFAOYSA-N	355.442	1.823	10	1	FDCF	
CNCCNc1ccc(NCCNC)c2c1C(=O)c1ccncc1C2=O	27987445	QPAIUOLMMMJBCE-UHFFFAOYSA-N	353.426	1.120	10	1	FDCF	
COC(=O)C[C@@H]1c2c(O)cc(O)cc2O[C@H](c2ccc(O)c(O)c2)[C@@H]1O	2356470952	LRFSQTVIZPMCSB-AQQIJUCISA-N	362.334	1.650	10	1	FDCF	
NCCS[C@@H]1c2c(O)cc(O)cc2O[C@@H](c2ccc(O)c(O)c2)[C@H]1O	1553059	RTWGDOBXVVOEQF-IXDOHACOSA-N	365.407	1.737	10	1	FDCF	endogenous,in-man
[N-]=[N+]=N[C@H](C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=CCS[C@H]12)c1ccccc1	36269624	FNTCXDDITSMIDR-MISXGVKJSA-N	359.367	1.406	10	1	FDCF	
C[C@](N)(Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O	96937358	SWYGDLIEOOAYHW-LIRRHRJNSA-N	358.394	1.170	10	1	FDCF	
Nc1nc(-c2cc(O)c(O)c(O)c2)cn2c(=O)n(-c3ccccc3)nc12	1857551103	ZXNLEZIGIRYUMA-UHFFFAOYSA-N	351.322	1.246	10	1	FDCF	
Oc1ccccc1CN[C@@H]1[C@H]2CO[C@@H](O2)[C@H](n2cc(Cl)cn2)[C@@H]1O	2356578558	WDWVAHYYAYCKFO-QCODTGAPSA-N	351.790	1.058	10	1	FDCF	
COc1cccc2c1C(=O)c1ccc3c(c1C2=O)C(=O)C[C@@](C)(O)[C@H]3O	2356712801	OVGJWPXNMNXAPJ-VQTJNVASSA-N	352.342	1.841	10	1	FDCF	
COc1cccc2c1C(=N)c1c(O)ccc(NCCNCCO)c1C2=O	27630021	UZCGZOSHXXLQHX-UHFFFAOYSA-N	355.394	1.355	10	1	FDCF	
CSCC[C@H](NC(=O)NCc1ccc(N)cc1)C(=O)N1CCCC1	653844236	DWJJBLYNLOEWGK-HNNXBMFYSA-N	350.488	1.812	10	1	FDCF	
CC[C@@]1(O)Cc2c(cc3c(c2O)C(=O)c2cccc(O)c2C3=O)[C@@H](O)C1	13398241	FOBDELRRPLBMOS-VBKZILBWSA-N	354.358	1.994	10	1	FDCF	biogenic
CNc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(O)c(O)c(O)c1-2	38494624	DCGVFOULCIYYQP-ZDUSSCGKSA-N	356.378	1.996	10	1	FDCF	
CC(C)C(=O)N[C@@H](CCCNC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)O	96928432	CNERUHHACBKSHY-CFNZNRNTSA-N	364.398	1.233	10	1	FDCF	
COC(=O)[C@H](Cc1ccc(O)c(O)c1)OC(=O)/C=C\c1ccc(O)c(O)c1	13341238	XHALVRQBZGZHFE-IMXKFXGHSA-N	374.345	1.850	10	1	FDCF	endogenous,in-man
O=C(C=Cc1ccc(O)c(O)c1)O[C@@H](CO)[C@H](O)c1ccc(O)c(O)c1	2356454493	NRVUZQPQUPWBKS-FUHWJXTLSA-N	362.334	1.160	10	1	FDCF	
C/C=C/c1cc2c(c(=O)o1)-c1c(O)c(O)c(OC)c(C(=O)O)c1[C@@H](O)O2	40934217	ZFHFTSQJDRLEMK-IDOMTICXSA-N	362.290	1.841	10	1	FDCF	
NCCS[C@@H]1c2c(O)cc(O)cc2O[C@@H](c2ccc(O)c(O)c2)[C@@H]1O	13352016	RTWGDOBXVVOEQF-YESZJQIVSA-N	365.407	1.737	10	1	FDCF	endogenous,in-man
NCCNc1ccc2c3c(nn2CCNCCO)-c2ccccc2C(=O)c13	28758790	LFRMFUOERRMZIR-UHFFFAOYSA-N	365.437	1.200	10	1	FDCF	
CC[C@]1(O)Cc2cc3c(c(O)c2[C@H](O)C1)C(=O)c1c(O)cccc1C3=O	83922597	VEGKEBGNNYINQB-XCLFUZPHSA-N	354.358	1.994	10	1	FDCF	biogenic,in-vitro
C[C@H](c1cc2c(o1)C(=O)c1ccccc1C2=O)N1CCN(CCO)CC1	1857651153	BPJYRCRVPWXHQL-CYBMUJFWSA-N	354.406	1.726	10	1	FDCF	
C[C@H]1CN(C)C(=O)c2cc(N(C)C)ccc2O[C@H]1CN(C)S(C)(=O)=O	95661619	OOMFJMXDTJIYLT-LRDDRELGSA-N	369.487	1.113	10	1	FDCF	
O=C1NC(=O)C(=CNc2ccc3c(c2)C(=O)c2ccccc2C3=O)C(=O)N1	1772579242	HFCXKXVPTOZZPI-UHFFFAOYSA-N	361.313	1.124	10	1	FDCF	
[N-]=[N+]=N[C@H](C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=CCS[C@@H]12)c1ccccc1	36269629	FNTCXDDITSMIDR-WDMOLILDSA-N	359.367	1.406	10	1	FDCF	
CN(CCO)CCCOc1cc(O)c2c(c1)C(=O)c1ccccc1C2=O	72180238	GWHHOHSSGSUABX-UHFFFAOYSA-N	355.390	1.861	10	1	FDCF	
CO[C@@H]1C=C[C@@]23c4cc5c(cc4N(CO[C@@H]2COC(C)=O)C[C@@H]3C1)OCO5	95909905	QEQPVHUWXQRMEE-TUGJPZLJSA-N	373.405	1.984	10	1	FDCF	biogenic,in-vitro
CC(C)(O)[C@H]1Oc2c(CO)cc3c(c2[C@H]1O)C(=O)c1cccc(O)c1C3=O	13383125	PDGGEMXVDWVFTE-MJGOQNOKSA-N	370.357	1.225	10	1	FDCF	biogenic
COC(=O)[C@@H](Cc1ccc(O)c(O)c1)NC(=O)/C=C/c1ccc(O)c(O)c1	13553522	XEMOVRYQMGXSLS-WXJAXGNASA-N	373.361	1.423	10	1	FDCF	
COc1cc(C=C2C(=O)O[C@H](C(=O)O)[C@@H]2c2ccc(O)c(O)c2)ccc1O	2356739260	NAEJDUPVTGZEOB-SJORKVTESA-N	372.329	1.989	10	1	FDCF	
Cn1nc2c3c(c(NCCNCCO)ccc31)C(=O)c1c(O)ccc(O)c1-2	28758388	KOHPTUDHRPNWIA-UHFFFAOYSA-N	368.393	1.190	10	1	FDCF	
CC1=NN(C(N)=S)C(=O)[C@H]1/N=N\c1c(C)n(C)n(-c2ccccc2)c1=O	84459861	FHFCOSNPTBGCJT-OUIWWDRTSA-N	371.426	1.398	10	1	FDCF	
CCO[P@](=O)(O)[C@@H](N[C@@H](Cc1c[nH]cn1)C(=O)O)c1ccccc1O	73279202	UMSYOZRLADBMRD-GXTWGEPZSA-N	369.314	1.621	10	1	FDCF	
C[C@@H](c1cc2c(o1)C(=O)c1ccccc1C2=O)N1CCN(CCO)CC1	1857651154	BPJYRCRVPWXHQL-ZDUSSCGKSA-N	354.406	1.726	10	1	FDCF	
CC[C@]1(O)CCc2c(cc3c(c2O)C(=O)c2c(O)cccc2C3=O)[C@@H]1O	13398244	IDKOURUCIUQCEE-PMACEKPBSA-N	354.358	1.994	10	1	FDCF	biogenic
CC=CCC[C@@]12NC(=O)C[C@H](C(=O)O)N1C(=O)c1c(C)c(O)c(C)c(O)c12	2356323160	JAGZSCWWTWDTAC-NSPYISDASA-N	374.393	1.653	10	1	FDCF	
COc1cc(C[C@H]2NCCc3cc(O)c(O)cc32)cc2c1O[S@](=O)O2	87722081	KUDOAQHCYMBOGO-YDBLSZJJSA-N	363.391	1.886	10	1	FDCF	
OCCS[C@H]1c2c(O)cc(O)cc2O[C@H](c2ccc(O)c(O)c2)[C@H]1O	95911215	BNJBYQFQHGYLDZ-ZACQAIPSSA-N	366.391	1.770	10	1	FDCF	biogenic,in-vitro
CC(C)O[C@H]1N([C@H]2C[C@@H](N=[N+]=[N-])[C@@H](CO)O2)C(=O)N=C(O)[C@]1(C)Cl	27433687	PXQTVVJAOJEANQ-TXJJIOBDSA-N	361.786	1.913	10	1	FDCF	
COc1c(O)cc2oc3c(oc(=O)c4c(O)c(O)ccc43)c(=O)c2c1O	15122221	SLUGCDLLXDGNNT-UHFFFAOYSA-N	358.258	1.884	10	1	FDCF	biogenic
N[C@H](Cc1c[nH]c2c(O)c3c(c(O)c12)C(=O)c1ccccc1C3=O)C(=O)O	28649280	OCEPXRRCFHTTPW-SNVBAGLBSA-N	366.329	1.309	10	1	FDCF	
COc1ccc(N(C)C[C@H](C)NC[C@@H](O)c2ccc(O)c(C(N)=O)c2)cc1	27739608	MSGMVACOKUQPKO-ORAYPTAESA-N	373.453	1.648	10	1	FDCF	
O=C(NCc1ccc(O)c(O)c1)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12	13760669	ZHCDQYFAYDRBNY-UHFFFAOYSA-N	355.306	1.986	10	1	FDCF	
CC=Cc1cc2c(c(=O)o1)-c1c(O)c(O)c(OC)c(C(=O)O)c1[C@H](O)O2	2356616615	ZFHFTSQJDRLEMK-QGZVFWFLSA-N	362.290	1.841	10	1	FDCF	
CN(C)CCn1nc2c3c(c(NCCCN)ccc31)C(=O)c1ccncc1-2	27629909	ABXKVJNCKKDHMS-UHFFFAOYSA-N	364.453	1.965	10	1	FDCF	
COc1cccc2c1C(=O)c1ccc3c(c1C2=O)C(=O)C[C@@H](CO)[C@@H]3O	2356803232	WVXGQSDQLYHBMZ-YYSFKGJASA-N	352.342	1.699	10	1	FDCF	
CC(C)OC(=O)[C@H](CCC(=O)C=[N+]=[N-])NC(=O)OCOC(=O)C(C)(C)C	1772627074	FEGUUAKQUIAIDU-LBPRGKRZSA-N	371.390	1.230	10	1	FDCF	
Nc1ccc(-n2cc(-c3ccc(C(=O)N[C@H]4CCOC4=O)cc3)nn2)cc1	205257171	CGIYCSMSNDKHPL-INIZCTEOSA-N	363.377	1.562	10	1	FDCF	
CCOC(=O)[C@@]1(CC)N[C@H](c2ccc(N(C)C)cc2)[C@@H]2C(=O)N(C)C(=O)[C@@H]21	169293176	LOQQSTKCOAGMGJ-NLDJYOPPSA-N	373.453	1.340	10	1	FDCF	
COC(=O)C[C@@H]1c2c(O)cc(O)cc2O[C@H](c2ccc(O)c(O)c2)[C@H]1O	2356470953	LRFSQTVIZPMCSB-KTTLUUMZSA-N	362.334	1.650	10	1	FDCF	
COc1cc(O)c2c(c1)C(=O)c1cc3c(c(O)c1C2=O)[C@H](O)C[C@@](C)(O)C3	2356526934	PFPVOQDOTFXBGN-XCLFUZPHSA-N	370.357	1.612	10	1	FDCF	
Oc1ccccc1CN[C@@H]1[C@H]2CO[C@@H](O2)[C@H](n2cc(Cl)cn2)[C@H]1O	2356578559	WDWVAHYYAYCKFO-SUJAAXHWSA-N	351.790	1.058	10	1	FDCF	
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@](C)(O)C[C@@H]3O	15215789	YIIXPMGWOXLPHF-FVINQWEUSA-N	370.357	1.612	10	1	FDCF	biogenic
COc1ccc2c(c1)OC(N)=C1C(=O)N(Cc3ccc(N)cc3)C(=O)C[C@@H]12	206392791	GYHLBLDSSBZBFJ-OAHLLOKOSA-N	365.389	1.883	10	3	FDCF	
O=C1O[C@@H](c2ccc(O)c(O)c2)[C@@H](C(=O)O)C1=Cc1ccc(O)c(O)c1	2356448081	OIVDIVRTEKNHDH-HOTGVXAUSA-N	358.302	1.891	10	1	FDCF	
C[C@@H](CCC(=O)O)N1Cc2c(cc3c(c2O)C[C@@H]([C@@H](C)C(=O)O)O3)C1=O	103291154	UEYUGQNDRBSZRZ-RWEMILLDSA-N	363.366	1.626	10	1	FDCF	
C[C@]1(O)CCc2c(O)c3c(c(O)c2[C@H]1O)C(=O)c1cccc(O)c1C3=O	14686556	YFHZESLRJALUJG-MOPGFXCFSA-N	356.330	1.309	10	1	FDCF	biogenic
COc1cc2c3c(c1)O[C@@]1(c4ccccc4C(=O)C(=O)[C@@H]1O)[C@@H](C2)C3=O	587449956	KWLOFILNNKZOIO-MRFFXTKBSA-N	350.326	1.464	10	1	FDCF	
COc1cc(OC)c2c(c1)OC[C@H](OC(=O)c1cc(O)c(O)c(O)c1)C2	13438101	QEWXEVYMYZMESU-LLVKDONJSA-N	362.334	1.981	10	1	FDCF	
O=C1NC(=S)S[C@@H]1c1ccc(S(=O)(=O)Nc2ncccn2)cc1	13761318	KKIYYPBEMYBDNK-SNVBAGLBSA-N	366.449	1.466	10	1	FDCF	
C[C@H]1CN(C)C(=O)c2cc(N(C)C)ccc2O[C@@H]1CN(C)S(C)(=O)=O	95662903	OOMFJMXDTJIYLT-BLLLJJGKSA-N	369.487	1.113	10	1	FDCF	
CC(=O)OCO/N=[N+](\[O-])N(C)CCOC(=O)c1ccccc1OC(C)=O	28649090	UHPWNFBIXMRFMH-VLGSPTGOSA-N	369.330	1.030	10	1	FDCF	
Cc1c(O)c(O)c2c(c1C=O)[C@@H]1O[C@H](O2)c2c(C)c(O)c(O)c(O)c2C1=O	103236193	AHNFXMBOWJVAPB-FUHWJXTLSA-N	374.301	1.989	10	1	FDCF	
CN(C)CCNc1ccc2c3c(nn2CCO)-c2cnccc2C(=O)c13	27622332	IWNKYFXFMPVJHC-UHFFFAOYSA-N	351.410	1.609	10	1	FDCF	
CN(C)C(=O)N(CCN1CCOCC1)Cc1cc([N+](=O)[O-])ccc1O	40407631	LYIJMHLKWLVZPG-UHFFFAOYSA-N	352.391	1.116	10	1	FDCF	
CCOC(=O)[C@]1(CC)N[C@@H](c2ccc(N(C)C)cc2)[C@@H]2C(=O)N(C)C(=O)[C@@H]21	169293175	LOQQSTKCOAGMGJ-IHSNIMORSA-N	373.453	1.340	10	1	FDCF	
CO[C@H]1O[C@H](CN=[N+]=[N-])[C@@H](OC(=O)c2ccccc2)[C@H](OC)[C@H]1OC	38823246	SQIGKQDPBBTROL-SSZWKKLZSA-N	351.359	1.924	10	1	FDCF	biogenic
O=C1OC(=C2C(=O)Oc3c2ccc(O)c3O)C(O)=C1c1ccc(O)c(O)c1	2356726007	FDBCUSCPPIAPBA-UHFFFAOYSA-N	370.269	1.665	10	1	FDCF	
C[C@H]1CN(c2snnc2C=C2C(=O)OC(C)(C)OC2=O)C[C@H](C)O1	1417130	UCFQNOLUGHIKMH-IUCAKERBSA-N	353.400	1.371	10	3	FDCF	
Cc1cc2c(cc1O)[C@](Cc1ccc(O)c(O)c1)(C(=O)O)N[C@H](C(=O)O)C2	963508669	KUATUOXQDJQYFY-ORAYPTAESA-N	373.361	1.233	10	1	FDCF	
O=C(C=Cc1ccc(O)c(O)c1)O[C@@H](Cc1cccc(O)c1O)C(=O)O	2356751290	ZZAFFYPNLYCDEP-HNNXBMFYSA-N	360.318	1.761	10	1	FDCF	
COc1ccc2c(c1OC)C(=O)c1c3c(c(CO)c(O)c1C2=O)C(=O)OC3	13371960	LXLDREVYTBJZLB-UHFFFAOYSA-N	370.313	1.348	10	1	FDCF	biogenic
COC(=O)[C@H]1OC(=O)/C(=C\c2ccc(O)c(O)c2)[C@H]1c1ccc(O)c(O)c1	238762269	KUDJYNNJBGQLRN-GZSJBKTLSA-N	372.329	1.775	10	1	FDCF	
CSN1C(=O)[C@H]([C@@H](C)OC(=O)c2ccc(O)c(O)c2)[C@H]1OC(C)=O	95596164	HZALSFCNMWZWFE-FDHQVAJDSA-N	355.368	1.269	10	1	FDCF	
C[C@H]1CN(c2snnc2C=C2C(=O)OC(C)(C)OC2=O)C[C@@H](C)O1	13133092	UCFQNOLUGHIKMH-DTORHVGOSA-N	353.400	1.371	10	3	FDCF	
CN1C[C@@H]2C(=O)N(C3CCCCC3)C(=O)[C@@H]2C12C(=O)c1ccccc1C2=O	1857743833	UNTPCKJZSHNGQS-JKSUJKDBSA-N	366.417	1.684	10	1	FDCF	
COc1cccc2c1C(=O)c1ccc3c(c1C2=O)C(=O)[C@@H](O)[C@](C)(O)C3	2356584412	CYUIQPZRYPIJJM-WOJBJXKFSA-N	352.342	1.321	10	1	FDCF	
CC1=NN(C(N)=S)C(=O)[C@@H]1/N=N\c1c(C)n(C)n(-c2ccccc2)c1=O	84459859	FHFCOSNPTBGCJT-AKDSAVJFSA-N	371.426	1.398	10	1	FDCF	
COc1cc2c(c(OC)c1OC)C(=O)[C@H](O)[C@@H](c1ccc(O)c(O)c1)O2	40395737	AJDOXUZMGBDQQH-JKSUJKDBSA-N	362.334	1.801	10	1	FDCF	
CC[C@@]1(O)C(=O)Nc2c1c(CO)c(=O)n1c2-c2nc3ccccc3cc2C1	66124389	YWNZJNPZBOQCOL-FQEVSTJZSA-N	363.373	1.467	10	1	FDCF	
COc1ccc(N2CN=c3s/c(=C/c4ccc(F)cc4)c(=O)n3C2)cc1	1857552314	DEKYVCSZRCRCQG-LICLKQGHSA-N	369.421	1.941	10	1	FDCF	
O=C1OC(=C2C(=O)Oc3cc(O)c(O)cc32)C(O)=C1c1ccc(O)c(O)c1	2356471359	UMIYSJROYJXHSW-UHFFFAOYSA-N	370.269	1.665	10	1	FDCF	
COC(=O)c1ccc2c(c1)c(/C=C1\C(=O)NN=C1c1cnns1)cn2C	28955003	LKPKISSGUDOKQE-SDQBBNPISA-N	367.390	1.734	10	1	FDCF	
CC(=O)CCc1c(O)cc2c(c1O)C(=O)[C@H](O)[C@@H](c1ccc(O)c(O)c1)O2	14647806	ALIOKRACUZLOCC-RBUKOAKNSA-N	374.345	1.708	10	1	FDCF	biogenic
O=C1c2cc(O)cc(O)c2C(=O)c2c1cc1c(c2O)[C@@H]2C[C@H](O)O[C@H]2O1	31394592	CNZWBNAVIYOMMR-OJNMCMGWSA-N	356.286	1.120	10	1	FDCF	biogenic
COc1cc(CO)c(OC)c2c1C(=O)c1c(cc(O)c(OC)c1O)C2=O	238746910	WERKZKYORWNYGL-UHFFFAOYSA-N	360.318	1.391	10	1	FDCF	
O=C1O[C@@H](c2ccc(O)c(O)c2)[C@H]2C(=O)O[C@@H](c3ccc(O)c(O)c3)[C@@H]12	13434307	OMWNNTOFRRBAKJ-VGWMRTNUSA-N	358.302	1.637	10	1	FDCF	
NCCS[C@H]1c2c(O)cc(O)cc2O[C@@H](c2ccc(O)c(O)c2)[C@@H]1O	100825565	RTWGDOBXVVOEQF-ULQDDVLXSA-N	365.407	1.737	10	1	FDCF	endogenous,in-man
O=C(C=Cc1ccc(O)c(O)c1)Oc1ccc(C[C@@H](O)C(=O)O)cc1O	2356618083	DXLVFAYCOFIADZ-OAHLLOKOSA-N	360.318	1.410	10	1	FDCF	
O=C1O[C@H](c2ccc(O)c(O)c2)[C@@H]2C(=O)O[C@H](c3ccc(O)c(O)c3)[C@@H]12	14959340	OMWNNTOFRRBAKJ-QKPAOTATSA-N	358.302	1.637	10	1	FDCF	biogenic
O=C1N=C2[C@H](C(=O)N=C3SC([N+](=O)[O-])=CN32)[C@@H](c2ccccc2O)N1	95583618	ZCWQOQRWLOWSCY-NXEZZACHSA-N	359.323	1.192	10	1	FDCF	
O=C(NC[C@@H]1OC[C@@H](NCc2ccccc2O)[C@@H]1O)Nc1ccccc1	2356747942	HZBSTGWVMJYDAF-NJAFHUGGSA-N	357.410	1.432	10	1	FDCF	
COc1cc(C[C@H]2NCCc3cc(O)c(O)cc32)cc2c1O[S@@](=O)O2	87722080	KUDOAQHCYMBOGO-XELLLNAOSA-N	363.391	1.886	10	1	FDCF	
O=C(O)CCN1C(=O)/C(=C2/C(=O)N[C@H]3C=CC(Cl)=C[C@@H]23)SC1=S	914431426	NLLDCQPHRJHMSX-UVHVGEQSSA-N	370.839	1.383	10	1	FDCF	
O=C(O)c1ccc2c(c1)C(=O)N([C@H](Cc1ccc(O)c(O)c1)C(=O)O)C2=O	13815955	SICOVVXCBPXHSB-GFCCVEGCSA-N	371.301	1.088	10	1	FDCF	
O=C(N[C@@H](CO)CCCCNC(=O)c1cccc(O)c1O)c1ccccc1	2356864386	VUGACXFHBLOACI-OAHLLOKOSA-N	372.421	1.789	10	1	FDCF	
C[C@@]1(CO)COc2c(NC(CO)CO)ccc(C(=O)c3ccccc3)c2N1	27557666	NOHUECNYRUBFHV-HXUWFJFHSA-N	372.421	1.238	10	1	FDCF	
C[C@]1(O)CC(=O)c2cc3c(c(O)c2[C@@H]1O)C(=O)c1cccc(O)c1C3=O	2356474470	SNYSTALZINLZKC-OALUTQOASA-N	354.314	1.244	10	1	FDCF	
COc1c(O)c(O)c2c(c1OC)OC[C@@H](Cc1ccc(O)c(O)c1)C2=O	14437354	KFQONVVTIHJZHO-SECBINFHSA-N	362.334	1.960	10	1	FDCF	biogenic
OCCS[C@H]1c2c(O)cc(O)cc2O[C@H](c2ccc(O)c(O)c2)[C@@H]1O	34065672	BNJBYQFQHGYLDZ-BBWFWOEESA-N	366.391	1.770	10	1	FDCF	
O=C1OC2(C(=O)c3ccccc3C2=O)[C@H](C(=O)c2ccc(F)cc2)C1=O	100288895	FMMSHIRTOPJODN-CYBMUJFWSA-N	352.273	1.569	10	1	FDCF	
COC(=O)c1c(C)c2c(c(OC)c1O)C(=O)c1ccc(OC)c(O)c1C2=O	238759802	FHLCBPWFYAISKO-UHFFFAOYSA-N	372.329	1.985	10	1	FDCF	
CN(C)CCNC(=O)c1c2c(n3ccccc13)C(=O)c1cccnc1C2=O	59097941	LUEJXSYGNUDXNK-UHFFFAOYSA-N	362.389	1.401	10	1	FDCF	
CC(C)O[C@H]1N([C@@H]2C[C@@H](N=[N+]=[N-])[C@H](CO)O2)C(=O)NC(=O)[C@]1(C)Cl	40496348	PXQTVVJAOJEANQ-QUXQDXTMSA-N	361.786	1.073	10	1	FDCF	
O=C(O)CN1C(=O)/C(=C/c2ccc(N3CCOCC3)s2)SC1=S	62233381	JLFSPLWIPOIDGX-YFHOEESVSA-N	370.477	1.871	10	1	FDCF	
N=C(N)NCCC[C@@H](Nc1c2ccccc2[n+]([O-])c2ccccc12)C(=O)O	5884173	WOEBTCAQBCEGHJ-CQSZACIVSA-N	367.409	1.755	10	1	FDCF	
Cc1ccc(S(=O)(=O)n2cc3c4c2C(=O)c2cn[nH]c2C4=NCC3)cc1	13687152	XSXJGEKFMAQXFO-UHFFFAOYSA-N	366.402	1.695	10	1	FDCF	
O=C1O[C@H](c2ccc(O)c(O)c2)[C@@H](C(=O)O)/C1=C\c1ccc(O)c(O)c1	14650585	OIVDIVRTEKNHDH-BKGHMYSDSA-N	358.302	1.891	10	1	FDCF	
Oc1ccccc1CN[C@@H]1[C@H]2CO[C@@H](O2)[C@H](n2cnc3ccccc32)[C@H]1O	2356477054	VVHYHHIFTQTLGG-UEDWAMCQSA-N	367.405	1.557	10	1	FDCF	
C[C@H]1CN([C@@H](C)CO)C(=O)Cc2cc(N(C)C)ccc2O[C@H]1CN(C)C	95836536	USULTRQPIHELKR-DOXZYTNZSA-N	363.502	1.463	10	1	FDCF	
COc1cc(C)cc(Br)c1C1C(=O)N2CCOCCN2C1=O	103186593	UGPWNLWNUHRHAW-UHFFFAOYSA-N	369.215	1.466	10	1	FDCF	
O=C1c2cc(O)cc(O)c2C(=O)c2c1cc1c(c2O)[C@@H]2CC[C@H](O)C[C@@H]2O1	13369794	XHJKRNJSUIZZGE-HBSDOPKDSA-N	368.341	1.968	10	1	FDCF	biogenic
NC[C@H](CCCCNC(=O)c1cccc(O)c1O)NC(=O)c1ccccc1	1857548440	DRWPHUUKXVHVKQ-HNNXBMFYSA-N	371.437	1.755	10	1	FDCF	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(=O)C(=O)CC2=O)N1	587822200	JEELUOSDDGCBDQ-MLXNANBUSA-N	354.175	1.819	10	1	FDCF	
O=C(O)C(=C1C=C(c2ccc(O)c(O)c2)C(=O)O1)c1ccc(O)c(O)c1	2356391900	HSRWZTVMPOHPJQ-UHFFFAOYSA-N	356.286	1.945	10	1	FDCF	
COc1ccc(OC)c2c1c(/C=C1\C(=O)NN=C1c1cnns1)cn2C	28955070	PFJWHQQZZYIQAN-POHAHGRESA-N	369.406	1.965	10	1	FDCF	
N=C(N)c1ccc(N2CCN(c3ccc(OCC(=O)O)cc3)CC2)cc1	29320658	AETCMTSWTLGAFY-UHFFFAOYSA-N	354.410	1.761	10	1	FDCF	
O=C1NC(=S)N=C(O)/C1=C\c1ccc(-c2cc(C(=O)O)cc(O)c2O)o1	40974847	GXGHOWIHLLQXIK-UHFFFAOYSA-N	374.330	1.811	10	1	FDCF	
O=C(OCc1cc(=O)oc2c(O)c(O)ccc12)c1cc(O)c(O)c(O)c1	1857568991	KIUMFSSEWALNJV-UHFFFAOYSA-N	360.274	1.678	10	1	FDCF	
COc1cc(/C=C2/C(=O)O[C@H](C(=O)O)[C@H]2c2ccc(O)c(O)c2)ccc1O	238769357	NAEJDUPVTGZEOB-ODPBWZCHSA-N	372.329	1.989	10	1	FDCF	
COc1cc([C@H](O)[C@H]2CO[C@H](c3ccc(O)c(O)c3)[C@H]2CO)ccc1O	66066232	PMALFGMVFUCPMK-BIPCEHGGSA-N	362.378	1.842	10	1	FDCF	in-vitro
CC[C@@]1(O)Cc2c(cc3c(c2O)C(=O)c2cccc(O)c2C3=O)[C@H](O)C1	13398234	FOBDELRRPLBMOS-JLTOFOAXSA-N	354.358	1.994	10	1	FDCF	biogenic
NCCS[C@H]1c2c(O)cc(O)cc2O[C@H](c2ccc(O)c(O)c2)[C@@H]1O	3979642	RTWGDOBXVVOEQF-BBWFWOEESA-N	365.407	1.737	10	1	FDCF	
COc1ccc(O)c2c1C(=O)c1ccc3c(c1C2=O)[C@H](O)C[C@](C)(O)C3	3986923	GEGOZMWTAFXSGR-MPBGBICISA-N	354.358	1.907	10	1	FDCF	biogenic
CCOC(=O)[C@@]1(CC)N[C@@H](c2ccc(N(C)C)cc2)[C@@H]2C(=O)N(C)C(=O)[C@@H]21	169293174	LOQQSTKCOAGMGJ-DICRZQGBSA-N	373.453	1.340	10	1	FDCF	
C[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O)C1)C(=O)c1c(O)cccc1C3=O	14686538	SFRTWZQYMRMOOJ-OVWNDWIMSA-N	356.330	1.309	10	1	FDCF	biogenic
COc1cccc2c1C(=O)c1c(cc3c(c1O)CC[C@](O)([C@H](C)O)C3)C2=O	13432677	JYBPKPPLCSWFBF-CHNSCGDPSA-N	368.385	1.777	10	1	FDCF	biogenic
N[C@@H](Cc1ccc(OC(=O)NCCc2ccc(O)c(O)c2)cc1)C(=O)O	1857538439	RKRDSKYZMBDOCT-AWEZNQCLSA-N	360.366	1.383	10	1	FDCF	
CS(=O)(=O)NCCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2	84689827	FCJHDFDNVTWRPY-UHFFFAOYSA-N	368.414	1.762	10	1	FDCF	
COc1cc(OC)c2c(c1)C(=O)c1c(O)c(C)c(C(=O)O)c(O)c1C2=O	14760965	WXKMOSCKAVOOGF-UHFFFAOYSA-N	358.302	1.897	10	1	FDCF	biogenic
COc1ccc(O)c2c1C(=O)c1ccc3c(c1C2=O)[C@H](O)C[C@@](C)(O)C3	9083635	GEGOZMWTAFXSGR-ODXCJYRJSA-N	354.358	1.907	10	1	FDCF	biogenic
CN(CCO)c1ccc(-c2nc3c(S(=O)(=O)N(C)C)cccc3[nH]2)cc1	587193120	SSNIHNHAONVCKC-UHFFFAOYSA-N	374.466	1.909	10	1	FDCF	
C[C@]1(O)CC(=O)c2c(cc(O)c3c2C(=O)c2c(O)ccc(O)c2C3=O)C1	34033365	NSRZVBMMUGIOID-LJQANCHMSA-N	354.314	1.459	10	1	FDCF	biogenic
O=[N+]([O-])C1=CN=C2N=C(C(F)(F)F)NN2[C@H]1c1ccc(O)c(O)c1O	1911571162	TWIYTPIHDNASKP-ZETCQYMHSA-N	359.220	1.113	10	1	FDCF	
CC[C@@]1(O)CCc2cc3c(c(O)c2[C@@H]1O)C(=O)c1cccc(O)c1C3=O	2356605244	YUBPRQYIYMCBKK-VQTJNVASSA-N	354.358	1.994	10	1	FDCF	
[N-]=[N+]=N[C@H](C(=O)N[C@H]1C(=O)N2C(C(=O)O)=CCS[C@@H]12)c1ccccc1	36269627	FNTCXDDITSMIDR-MJVIPROJSA-N	359.367	1.406	10	1	FDCF	
Cc1cc(O)c2c(c1)C(=O)c1cc(OS(=O)(=O)O)cc(O)c1C2=O	2356718369	UEUSMICBGBJADX-UHFFFAOYSA-N	350.304	1.363	10	1	FDCF	
CCN(CC)S(=O)(=O)c1ccc(N=Nc2c(N)nc(O)nc2O)cc1	254036057	XHVJNXWORGNLJQ-UHFFFAOYSA-N	366.403	1.916	10	1	FDCF	
CCOC(=O)[C@]1(C)N[C@@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(CC)C(=O)[C@@H]21	19526775	NOSSHDVZLGRGSS-KSVNGYGVSA-N	373.453	1.340	10	1	FDCF	
CC[C@]1(O)CCc2cc3c(c(O)c2[C@H]1O)C(=O)c1cccc(O)c1C3=O	2356605243	YUBPRQYIYMCBKK-UXHICEINSA-N	354.358	1.994	10	1	FDCF	
COC(=O)c1cc2nc(-c3cc(NS(C)(=O)=O)ccc3O)[nH]c2cn1	586948052	KCZAPGFBZGTVAB-UHFFFAOYSA-N	362.367	1.489	10	1	FDCF	
O=C(CN1CCOCC1)Nc1cc2c(cc1O)C(=O)c1ccccc1C2=O	299825578	MSXKRXUDBPPGAL-UHFFFAOYSA-N	366.373	1.438	10	1	FDCF	
O=C(O)C(C(=O)O)C1C(=O)N(c2ccccc2)N(c2ccccc2)C1=O	2356600256	FUYWHRRPVWEFGU-UHFFFAOYSA-N	354.318	1.383	10	1	FDCF	
Cn1cc(C(=O)Cc2ccccc2)cc1C=C1C(=O)NC(=S)NC1=O	13493204	HGUUTENFNRWSGR-UHFFFAOYSA-N	353.403	1.365	10	1	FDCF	
CC(=O)C[C@@H](O)c1c(O)cc2c(c1O)C(=O)c1c(O)cc(O)cc1C2=O	13373468	JXNCVINFWDAYCA-SNVBAGLBSA-N	358.302	1.297	10	1	FDCF	biogenic
O=C(/C=C\c1ccc(O)c(O)c1)Oc1ccc(C[C@@H](O)C(=O)O)cc1O	33832220	DXLVFAYCOFIADZ-OMVNSRBRSA-N	360.318	1.410	10	1	FDCF	biogenic,in-vitro
CC[C@@]1(O)CCc2c(cc3c(c2O)C(=O)c2c(O)cccc2C3=O)[C@@H]1O	13398247	IDKOURUCIUQCEE-VQTJNVASSA-N	354.358	1.994	10	1	FDCF	biogenic
O=C1CC[C@H](c2c(O)cc(O)c3c2O[C@@H](c2ccc(O)c(O)c2)[C@H](O)C3)N1	2356348110	ZGIKMQJUZZSYOY-TZOQJCELSA-N	373.361	1.497	10	1	FDCF	
NCCCC[C@H](N)C(=O)Nc1csc2c1C(=O)c1ccccc1C2=O	72105222	CXGLZOJLYLCYSI-LBPRGKRZSA-N	357.435	1.918	10	1	FDCF	
COc1cc2c(=O)oc3c(OC)c(O)c(O)c4c(=O)oc(c1OC)c2c34	15216482	FBJWSHPSYYXNJO-UHFFFAOYSA-N	360.274	1.927	10	1	FDCF	biogenic
CCOC(=O)[C@]1(C)N[C@@H](c2ccc(N(C)C)cc2)[C@@H]2C(=O)N(CC)C(=O)[C@@H]21	169297143	NOSSHDVZLGRGSS-IHSNIMORSA-N	373.453	1.340	10	1	FDCF	
COC(=O)COc1cc(O)cc2oc(-c3ccc(O)c(O)c3)c(O)c(=O)c12	40894116	IDYSMPAIFXOTPQ-UHFFFAOYSA-N	374.301	1.834	10	1	FDCF	
COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)/C=C/c1ccc(O)c(O)c1	26262237	WCKQISDLXKTVDV-BOSPYUDASA-N	357.362	1.717	10	1	FDCF	
CC(C)C[C@]1(C(=O)O)N[C@@H](c2ccccc2O)[C@@H]2C(=O)N(C(C)C)C(=O)[C@@H]21	169293782	AHUNSMBXSCWDLT-DICRZQGBSA-N	374.437	1.916	10	1	FDCF	
COc1ccc(O)c2c1C(=O)c1ccc3c(c1C2=O)[C@@H](O)C[C@](C)(O)C3	9306939	GEGOZMWTAFXSGR-FKIZINRSSA-N	354.358	1.907	10	1	FDCF	biogenic
CCOC(=O)[C@@]1(C)N[C@@H](c2ccc(N(C)C)cc2)[C@@H]2C(=O)N(CC)C(=O)[C@@H]21	169297141	NOSSHDVZLGRGSS-DICRZQGBSA-N	373.453	1.340	10	1	FDCF	
Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)c(=O)n(Cc2ccccc2)c1=O	6521446	PVXLDCORPRSPOJ-RRFJBIMHSA-N	357.370	1.325	10	1	FDCF	
COc1cc2c(c3c1C[C@@](C)(O)[C@H](O)C3=O)C(=O)c1cccc(O)c1C2=O	2356588900	LROLIRYZVMOFSP-WOJBJXKFSA-N	368.341	1.027	10	1	FDCF	
COc1cc2c3c(c1)O[C@]1(c4ccccc4C(=O)C(=O)[C@@H]1O)[C@@H](C2)C3=O	587449957	KWLOFILNNKZOIO-QTJFZDIUSA-N	350.326	1.464	10	1	FDCF	
C[C@@]1(O)CC(=O)c2c(c(O)c(O)c3c2C(=O)c2cccc(O)c2C3=O)C1	14764889	WRVRMGBVOZAWOS-IBGZPJMESA-N	354.314	1.459	10	1	FDCF	biogenic
[N-]=[N+]=NCCOCCOc1nc(N)c2nc(O)n(Cc3ccccc3)c2n1	40893667	CABCPMUWGIVIGV-UHFFFAOYSA-N	370.373	1.868	10	1	FDCF	
N[C@@H](CP(=O)(O)O)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O	586919766	GVTYZTRLCATXEC-NSHDSACASA-N	371.289	1.516	10	1	FDCF	
Cc1cccc2c(N)c3cccc(C(=O)NCCCNCCN)c3nc12	19372563	WFABAFAAIYXLOB-UHFFFAOYSA-N	351.454	1.947	10	1	FDCF	
CC[C@]1(O)CCc2cc3c(c(O)c2[C@@H]1O)C(=O)c1cccc(O)c1C3=O	2356605242	YUBPRQYIYMCBKK-PMACEKPBSA-N	354.358	1.994	10	1	FDCF	
O=C(O)C[C@@H](O)Cc1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O	586888504	HZGZUHYFQSFUNO-VIFPVBQESA-N	350.330	1.716	10	1	FDCF	
O=C(CCN1CCC2(CC1)OCCO2)c1cc(O)c(O)c([N+](=O)[O-])c1	13585723	QDLPQXQEMGUYCK-UHFFFAOYSA-N	352.343	1.418	10	1	FDCF	
CN(C)CCNc1ccc(NCCN)c2c1C(=O)c1ccccc1C2=O	26468868	QHFZJPKNIHDLIF-UHFFFAOYSA-N	352.438	1.806	10	1	FDCF	
CC(C)O[C@H]1N([C@@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)C(=O)N=C(O)[C@]1(C)Cl	27433692	PXQTVVJAOJEANQ-XHNVILFYSA-N	361.786	1.913	10	1	FDCF	
COc1cc(C=C2C(=O)O[C@@H](C(=O)O)[C@H]2c2ccc(O)c(O)c2)ccc1O	2356739257	NAEJDUPVTGZEOB-DLBZAZTESA-N	372.329	1.989	10	1	FDCF	
O=C1CC[C@H](c2c(O)cc(O)c3c2O[C@H](c2ccc(O)c(O)c2)[C@@H](O)C3)N1	2356348111	ZGIKMQJUZZSYOY-XODWSEBVSA-N	373.361	1.497	10	1	FDCF	
CCOC(=O)[C@@]1(C)N[C@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(CC)C(=O)[C@@H]21	19526776	NOSSHDVZLGRGSS-ROYATCLZSA-N	373.453	1.340	10	1	FDCF	
O=C(O)COc1cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc2c1	40893546	YIAXTIPXNTWVKY-UHFFFAOYSA-N	360.274	1.746	10	1	FDCF	
CC1=C(C(=O)NCc2ccc(N)cc2)[C@@H](C(C)C)N(C(=O)CC(=O)O)O1	96283450	ZOODZYUWJGCNEZ-QGZVFWFLSA-N	361.398	1.432	10	1	FDCF	
CN(C)c1ccc2c(c1)[C@H]1C[C@H](CC(=O)NCC3CC3)O[C@@H](CO)[C@H]1O2	95901863	JLJMCVQNTFDIRA-BIJSTVTOSA-N	360.454	1.663	10	1	FDCF	
NCCCCNCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	169330152	PXALSDREKLBDRS-UHFFFAOYSA-N	351.406	1.729	10	1	FDCF	
COC(=O)C(=O)Nc1ccc2c3c(n(C)c(=O)c2c1)-c1ccccc1C3=O	95594588	QIOUDCFLNOPSKM-UHFFFAOYSA-N	362.341	1.861	10	1	FDCF	
Cc1cn([C@H]2C[C@@H](N=[N+]=[N-])[C@@H](COC(=O)c3cccnc3)O2)c(=O)[nH]c1=O	17176716	KMIYVSVERCALME-JHJVBQTASA-N	372.341	1.063	10	1	FDCF	
CNCCNc1ccc2c3c(nn2CCN)-c2c(O)ccc(O)c2C(=O)c13	28759395	GBHLFKYNYFDFNN-UHFFFAOYSA-N	367.409	1.249	10	1	FDCF	
COc1cc2c(c3c1C[C@](C)(O)[C@@H](O)C3=O)C(=O)c1cccc(O)c1C2=O	2356588898	LROLIRYZVMOFSP-PMACEKPBSA-N	368.341	1.027	10	1	FDCF	
COC(=O)N1CCN(/[N+]([O-])=N\Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1	40566971	VUWQXQXCPDFPCD-QGOAFFKASA-N	370.278	1.058	10	1	FDCF	
Oc1ccccc1CN[C@@H]1[C@H]2CO[C@@H](O2)[C@H](n2cnc3ccccc32)[C@@H]1O	2356477055	VVHYHHIFTQTLGG-WAPOTWQKSA-N	367.405	1.557	10	1	FDCF	
CN(C)C(=O)c1cccc(/N=c2\c(O)c(O)\c2=N/c2ccccc2)c1O	34033209	IDRHXERJIOHEIJ-SIBCGJTDSA-N	351.362	1.846	10	1	FDCF	
COc1ccc(-n2n[n+](C)c3c2C(=O)c2ccccc2C3=O)cc1OC	169310482	SJSAYJAPAWYMIG-UHFFFAOYSA-N	350.354	1.489	10	1	FDCF	
COc1cc(N(C)C[C@@H]2CCc3nc(N)nc(N)c3C2)cc(OC)c1OC	5849830	LKRXQZIHVMYTOZ-LLVKDONJSA-N	373.457	1.908	10	1	FDCF	
NCCNCCOCCOc1cccc2c1C(=O)c1ccccc1C2=O	22442296	JSJUCWDINUKJOJ-UHFFFAOYSA-N	354.406	1.406	10	1	FDCF	
O=C1c2cc(O)cc(O)c2C(=O)c2c1cc1c(c2O)[C@@H]2C[C@H](O)O[C@@H]2O1	6091288	CNZWBNAVIYOMMR-NWPSBWSYSA-N	356.286	1.120	10	1	FDCF	biogenic
CN1C[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2C12C(=O)c1ccccc1C2=O	1772573885	PVQLJECXCVEEQE-JKSUJKDBSA-N	360.369	1.556	10	1	FDCF	
COC(=O)[C@@H]1C(C(=O)O)=Cc2cc(O)c(O)cc2[C@@H]1c1ccc(O)c(O)c1	14726943	AVJRJNWOJPUZBH-DLBZAZTESA-N	372.329	1.912	10	1	FDCF	biogenic
COC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H](N)CC1CCCCC1	96937350	SRGBVMDPCIYOJG-GJZGRUSLSA-N	364.442	1.596	10	1	FDCF	
CCO[P@@]1(=O)C(C(=O)OC)=NN(CC)C12C(=O)c1ccccc1C2=O	40402817	QRUBLRYCBSLABW-VWLOTQADSA-N	364.294	1.899	10	1	FDCF	
COc1ccc(N(C)C[C@H](C)NC[C@H](O)c2ccc(O)c(C(N)=O)c2)cc1	40514398	MSGMVACOKUQPKO-DJJJIMSYSA-N	373.453	1.648	10	1	FDCF	
CNCc1c(OC)cc2c(c1O)C(=O)c1c(cc(OC)c(O)c1CO)C2=O	85486906	IGQFGWWDBSKFKA-UHFFFAOYSA-N	373.361	1.102	10	1	FDCF	biogenic,in-vitro
C/C=C/c1cc2c(c(=O)o1)-c1c(O)c(O)c(OC)c(C(=O)O)c1[C@H](O)O2	40934216	ZFHFTSQJDRLEMK-REMYHPOOSA-N	362.290	1.841	10	1	FDCF	
CNC(=O)OCc1c2c(n(C)c1COC(=O)NC)C(O)=C(C)C(=N)C2=O	29548115	KYLJDITXQJTYPM-UHFFFAOYSA-N	364.358	1.242	10	1	FDCF	
O=C(O)C(=C1OC(=O)C(c2cc(O)c(O)c(O)c2)=C1O)c1ccc(O)cc1	2356503882	XLCYRDAATIMMJG-UHFFFAOYSA-N	372.285	1.831	10	1	FDCF	
CC[C@@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O)C1)C(=O)c1c(O)cccc1C3=O	14686592	QPLXURBBRSWPAU-PRWKNARSSA-N	370.357	1.700	10	1	FDCF	biogenic
CS(=O)(=O)Nc1ccc(O)c(-c2nc3c(O)nc(S)nc3[nH]2)c1	586948286	MYJRAIFABJVSRK-UHFFFAOYSA-N	353.385	1.091	10	1	FDCF	
NCCS[C@@H]1c2c(O)cc(O)cc2O[C@H](c2ccc(O)c(O)c2)[C@H]1O	13352019	RTWGDOBXVVOEQF-BRWVUGGUSA-N	365.407	1.737	10	1	FDCF	endogenous,in-man
CC(=O)C[C@H](O)c1c(O)cc2c(c1O)C(=O)c1c(O)cc(O)cc1C2=O	13373467	JXNCVINFWDAYCA-JTQLQIEISA-N	358.302	1.297	10	1	FDCF	biogenic
CO[C@@H]1C=C[C@@]23c4cc5c(cc4N(CO[C@@H]2COC(C)=O)C[C@H]3C1)OCO5	2356369295	QEQPVHUWXQRMEE-UYVJDWJCSA-N	373.405	1.984	10	1	FDCF	
C[C@@]1(O)CCc2c(O)c3c(c(O)c2[C@@H]1O)C(=O)c1cccc(O)c1C3=O	14686550	YFHZESLRJALUJG-RBUKOAKNSA-N	356.330	1.309	10	1	FDCF	biogenic
COC(=O)[C@@H]1OC(=O)C(=Cc2ccc(O)c(O)c2)[C@H]1c1ccc(O)c(O)c1	2356433495	KUDJYNNJBGQLRN-IAGOWNOFSA-N	372.329	1.775	10	1	FDCF	
[N-]=[N+]=N[C@H]1C[C@H](n2c(Br)nc3c(N)ncnc32)O[C@@H]1CO	5941117	LFGBYWAPILNGJG-KVQBGUIXSA-N	355.156	1.130	10	1	FDCF	
COC(=O)[C@@H]1OC(=O)C(=Cc2ccc(O)c(O)c2)[C@@H]1c1ccc(O)c(O)c1	2356433494	KUDJYNNJBGQLRN-DLBZAZTESA-N	372.329	1.775	10	1	FDCF	
Cc1nnc(SCc2cc(=O)c(O)co2)n1NCc1ccccc1O	1772635724	QPZLYOLCHLBWFY-UHFFFAOYSA-N	360.395	1.987	10	1	FDCF	
CCOC(=O)c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2	2356437688	BVUKYZCGYJYPPH-GDBMZVCRSA-N	362.334	1.723	10	1	FDCF	
O=[N+]([O-])C1=CN=C2NC(c3ccco3)=NN2[C@H]1c1c(O)cc(O)cc1O	1911582091	DAJJIHUYPCVKOJ-CYBMUJFWSA-N	357.282	1.192	10	1	FDCF	
COC(=O)C1=C(C(=O)OC)C(=S)[C@@H]2SC(=S)S[C@@H]2C1=S	40576972	APKPIVAAWYXKLN-OCAPTIKFSA-N	364.516	1.885	10	1	FDCF	
COc1cc(N(C)C[C@H]2CCc3nc(N)nc(N)c3C2)cc(OC)c1OC	3814883	LKRXQZIHVMYTOZ-NSHDSACASA-N	373.457	1.908	10	1	FDCF	
Cc1ccc(/N=N/c2c(C)nc3sc(S(N)(=O)=O)nn3c2=O)cc1	72142836	WQXAPIQGTSJLBO-WUKNDPDISA-N	364.412	1.831	10	1	FDCF	
[N-]=[N+]=N[C@H](C(=O)N[C@H]1C(=O)N2C(C(=O)O)=CCS[C@H]12)c1ccccc1	36269622	FNTCXDDITSMIDR-COPLHBTASA-N	359.367	1.406	10	1	FDCF	
COC(=O)CC1c2c(cc(O)c(O)c2O)C(=O)c2cc(O)c(O)c(O)c21	13460590	SBGSBMMAAXSLCF-UHFFFAOYSA-N	362.290	1.160	10	1	FDCF	biogenic,in-vitro
CC=CCC[C@@]12NC(=O)C[C@@H](C(=O)O)N1C(=O)c1c(C)c(O)c(C)c(O)c12	2356323159	JAGZSCWWTWDTAC-JEOXALJRSA-N	374.393	1.653	10	1	FDCF	
COC(=O)C[C@@H]1c2c(O)cc(O)cc2O[C@@H](c2ccc(O)c(O)c2)[C@@H]1O	2356470954	LRFSQTVIZPMCSB-YZOQQBSESA-N	362.334	1.650	10	1	FDCF	
Nc1ccc(Oc2ccc3nc(CNCCNCC(=O)O)[nH]c3c2)cc1	587229013	LSWSQMZVKIXYIZ-UHFFFAOYSA-N	355.398	1.701	10	1	FDCF	
C[C@@H](O)CNCCCOc1cc(O)c2c(c1)C(=O)c1ccccc1C2=O	72177678	BTVLRPWFAAFEPN-GFCCVEGCSA-N	355.390	1.907	10	1	FDCF	
COc1cc([C@@H](O)[C@H](CO)c2cc(CCCO)cc(O)c2O)ccc1O	144812790	ZQZRMATWXNZXDA-RDTXWAMCSA-N	364.394	1.546	10	1	FDCF	
Cc1cnc(C(=O)NN2C(=O)CS[C@H]2c2ccc(N(C)C)cc2)cn1	653918532	QQYJKDCDNWWFCE-KRWDZBQOSA-N	357.439	1.770	10	1	FDCF	
COC(=O)c1ccc2nc(-c3cc(NS(C)(=O)=O)ccc3O)[nH]c2n1	586948654	QSTBDABWCAERGC-UHFFFAOYSA-N	362.367	1.489	10	1	FDCF	
CC[C@@]1(O)CCc2c(O)c3c(c(O)c2[C@@H]1O)C(=O)c1c(O)cccc1C3=O	2356688834	NZWQEPAWMMWGOL-VQTJNVASSA-N	370.357	1.700	10	1	FDCF	
CCNC(=O)c1cccc(/N=c2\c(O)c(O)\c2=N/c2ccccc2)c1O	36143796	HXRRYRNLTMPAEB-HHQODBOJSA-N	351.362	1.894	10	1	FDCF	
O=C(C=Cc1ccc(O)c(O)c1)Oc1ccc(C[C@H](O)C(=O)O)cc1O	2356618082	DXLVFAYCOFIADZ-HNNXBMFYSA-N	360.318	1.410	10	1	FDCF	
COc1cc(N(C)Cc2cnc3nc(N)nc(N)c3n2)cc(OC)c1OC	39224566	JCLWKAAKITYZJF-UHFFFAOYSA-N	371.401	1.246	10	1	FDCF	
CN(CCO)c1ccc(-c2nc3cc(S(=O)(=O)N(C)C)ccc3[nH]2)cc1	587193332	ZALKUNFBOCCHLV-UHFFFAOYSA-N	374.466	1.909	10	1	FDCF	
CC(C)(O)[C@H]1Oc2c(CO)cc3c(c2[C@@H]1O)C(=O)c1cccc(O)c1C3=O	13383127	PDGGEMXVDWVFTE-HKUYNNGSSA-N	370.357	1.225	10	1	FDCF	biogenic
O=C1NC(=S)NC(=O)C1=Cc1ccc(-c2cccc(C(=O)O)c2O)o1	40955370	ZAIWQKCVNRDKLM-UHFFFAOYSA-N	358.331	1.265	10	1	FDCF	
COc1ccc(N2NC(=O)/C(=C\c3cc(OC)c(O)c(OC)c3)C2=O)cc1	40940079	BTDLPEHOWYMZIT-RIYZIHGNSA-N	370.361	1.879	10	1	FDCF	
O=C(CCc1ccc(O)c(O)c1)O[C@H](Cc1ccc(O)c(O)c1)C(=O)O	28875174	GMILNBIETOPRPK-MRXNPFEDSA-N	362.334	1.681	10	1	FDCF	
C[C@@]1(O)Cc2cc3c(c(O)c2[C@@H](O)C1)C(=O)c1c(O)ccc(O)c1C3=O	83924420	ZXSUNXLOTJSSKD-JEOXALJRSA-N	356.330	1.309	10	1	FDCF	biogenic,in-vitro
O=C1N[C@@H](C(=O)O)Cc2ccccc2N/C=C\1Cc1ccc(O)c(O)c1	13366401	LNYMOKVIVBHJEW-VSKPTYQZSA-N	354.362	1.762	10	1	FDCF	
COC(=O)c1c(C)c2c(c(OC)c1O)C(=O)c1cc(O)cc(O)c1C2=O	143628363	QQKYEIPWELLTRP-UHFFFAOYSA-N	358.302	1.682	10	1	FDCF	
CCCCOC(=O)OC[C@@H]1O[C@H](n2cc(C)c(=O)[nH]c2=O)C[C@@H]1N=[N+]=[N-]	26825537	MXVPDNPBKUBQAY-SRVKXCTJSA-N	367.362	1.765	10	1	FDCF	
O=C(NC[C@@H]1OC[C@@H](NCc2ccccc2O)[C@@H]1O)c1ccc(F)cc1	2356287451	JFEFBAGRGRHQND-NJAFHUGGSA-N	360.385	1.179	10	1	FDCF	
COc1cccc2c1C(=O)c1cc3c(cc1C2=O)C[C@@](O)([C@H](C)O)C[C@@H]3O	238732315	IXTBRJOWYAXVBE-IEDBWFTHSA-N	368.385	1.562	10	1	FDCF	
OCCSc1c([C@H]2Oc3cc(O)cc(O)c3C[C@H]2O)ccc(O)c1O	200801959	CZQINZSNRRDHQO-CZUORRHYSA-N	366.391	1.631	10	1	FDCF	
Cn1c(O)c(C2=NNC(=O)C2=Cc2ccc(O)cc2)c(=O)c2ccccc21	2356833981	KKRBAKMMIFSNTA-UHFFFAOYSA-N	361.357	1.867	10	1	FDCF	
CC1=C(O)/C(=C\N=N\C(=O)c2ccncc2)C(COP(=O)(O)O)=CN1	98208125	GXGBRTHJGGLQAZ-UMMCPOKDSA-N	366.270	1.944	10	1	FDCF	in-vitro
COC(=O)[C@H](O)CS[C@H]1CC(=O)C(=O)CCCCC[C@H](C)OC1=O	2356325780	QVKWIAHHXHGDHB-GDLCADMTSA-N	360.428	1.046	10	1	FDCF	
COCc1cc(C[C@@H]2CC[C@H](O)[C@H](CNCc3ccccc3O)O2)no1	2356300606	NPBVXZPWGBDSKA-SNRMKQJTSA-N	362.426	1.767	10	1	FDCF	
CN(C)CCCn1cc(CCN(C)C)c2c1C(=O)c1cnccc1C2=O	71331300	HREOHDIUHUSHJD-UHFFFAOYSA-N	354.454	1.714	10	1	FDCF	
C[C@]1(O)CC(=O)c2c(cc(O)c3c2C(=O)c2ccc(O)c(O)c2C3=O)C1	43207886	LZCDEMGNGWSBNL-LJQANCHMSA-N	354.314	1.459	10	1	FDCF	biogenic
O=C(C=Cc1ccc(O)c(O)c1)O[C@H](Cc1cccc(O)c1O)C(=O)O	2356751291	ZZAFFYPNLYCDEP-OAHLLOKOSA-N	360.318	1.761	10	1	FDCF	
O=C1c2cc(O)cc(O)c2C(=O)c2c1cc1c(c2O)[C@@H]2C[C@@H](O)O[C@H]2O1	31394589	CNZWBNAVIYOMMR-UPNFTOOASA-N	356.286	1.120	10	1	FDCF	biogenic
COc1ccc(/C=C/C(=O)NC[C@@H](O)c2ccc(O)c(O)c2)cc1OC	14614810	APFQWDNGFUWSGP-KZJSRBBCSA-N	359.378	1.978	10	1	FDCF	
COc1cc(O)c2c(c1)C(=O)c1cc3c(c(O)c1C2=O)C(=O)O[C@H](C)C3	13436848	SSQQPTXHAPOLHC-SSDOTTSWSA-N	354.314	1.983	10	1	FDCF	biogenic
O=C1O[C@@H](c2ccc(O)c(O)c2)[C@H](C(=O)O)C1=Cc1ccc(O)c(O)c1	2356448080	OIVDIVRTEKNHDH-CVEARBPZSA-N	358.302	1.891	10	1	FDCF	
Cc1ccc(N2C(=O)[C@H]3CN(C)C4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1	1772601088	HETICUKJHJRLDA-IRXDYDNUSA-N	374.396	1.864	10	1	FDCF	
CC(C)C[C@@]1(C(=O)O)N[C@@H](c2ccccc2O)[C@@H]2C(=O)N(C(C)C)C(=O)[C@@H]21	169293781	AHUNSMBXSCWDLT-IHSNIMORSA-N	374.437	1.916	10	1	FDCF	
O=C(NC[C@@H]1OC[C@@H](NCc2ccccc2O)[C@H]1O)Nc1ccccc1	2356747941	HZBSTGWVMJYDAF-BPQIPLTHSA-N	357.410	1.432	10	1	FDCF	
O=C1N=C(O)/C(=C\NNC(=S)Nc2cccc(C(F)(F)F)c2)C(=O)N1	96930164	ZKAWKZGZCNSSGH-UHFFFAOYSA-N	373.316	1.587	10	1	FDCF	
Cc1cc(C)c(C2C(=O)N3CCOCCN3C2=O)c(Br)c1	103170163	VLHVQBWPYJQEEH-UHFFFAOYSA-N	353.216	1.766	10	1	FDCF	
CCO[P@](=O)(O)[C@H](N[C@@H](Cc1c[nH]cn1)C(=O)O)c1ccccc1O	73279197	UMSYOZRLADBMRD-JSGCOSHPSA-N	369.314	1.621	10	1	FDCF	
CN1C[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2C12C(=O)c1ccccc1C2=O	1772573883	PVQLJECXCVEEQE-HOTGVXAUSA-N	360.369	1.556	10	1	FDCF	
CNCCNc1ccc(NCCNC)c2c1C(=O)c1ccccc1C2=O	5115476	NEQMTEIWJIFHMS-UHFFFAOYSA-N	352.438	1.725	10	1	FDCF	
COc1cc2c3c(c1)O[C@](Cc1ccc(O)c(O)c1)(C(=O)O)[C@@H](C2)C3=O	587448233	BDRDHLYCTXIMQE-BUXKBTBVSA-N	356.330	1.920	10	1	FDCF	
COc1cccc2c1C(=O)c1c(cc3c(c1O)CC[C@](O)([C@@H](C)O)C3)C2=O	13432678	JYBPKPPLCSWFBF-LADRHHBVSA-N	368.385	1.777	10	1	FDCF	biogenic
O=C1NN=C(c2ccccc2)/C1=C/N[C@@H](Cc1ccc(O)cc1)C(=O)O	72179102	XLYRMFKTBOQZCJ-QZFKAFNDSA-N	351.362	1.396	10	1	FDCF	
C[C@H]1NC2(C(=O)c3ccccc3C2=O)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]12	100119133	UCSAUIRKRFKHFA-LYRGGWFBSA-N	360.369	1.602	10	1	FDCF	
COc1cccc2c1C(=O)c1ccc3c(c1C2=O)C(=O)C[C@@H](CO)[C@H]3O	2356803231	WVXGQSDQLYHBMZ-NIVTXAMTSA-N	352.342	1.699	10	1	FDCF	
Cc1c(O)c(O)c2c(c1C=O)[C@H]1O[C@@H](O2)c2c(C)c(O)c(O)c(O)c2C1=O	2356497831	AHNFXMBOWJVAPB-AEFFLSMTSA-N	374.301	1.989	10	1	FDCF	
C[C@@H]1CN(C)C(=O)c2cc(N(C)C)ccc2O[C@H]1CN(C)S(C)(=O)=O	95661612	OOMFJMXDTJIYLT-WBMJQRKESA-N	369.487	1.113	10	1	FDCF	
O=[N+]([O-])C1=CN=C2N=C(C(F)(F)F)NN2[C@@H]1c1c(O)cc(O)cc1O	1911581792	FQTCVZSYDKQZHM-VIFPVBQESA-N	359.220	1.113	10	1	FDCF	
COc1cc(OC)cc(-n2n[n+](C)c3c2C(=O)c2ccccc2C3=O)c1	169310476	UYORTHKPYTXBRL-UHFFFAOYSA-N	350.354	1.489	10	1	FDCF	
CCOC(=O)C[C@@H](NC(=O)c1ccc(/N=N/N(C)C)cc1)C(=O)OCC	17217838	SLCZGQFZBZOEBG-ATQAJOFPSA-N	364.402	1.862	10	1	FDCF	
CO[C@@H]1C=C[C@@]23c4cc5c(cc4N(CO[C@H]2COC(C)=O)C[C@H]3C1)OCO5	2356369296	QEQPVHUWXQRMEE-VPCNSNALSA-N	373.405	1.984	10	1	FDCF	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(=O)C(=O)CC2=O)N1	587818768	FMWBWPUGDZUZTH-MLXNANBUSA-N	354.175	1.819	10	1	FDCF	
C[C@H](O)CNCCCOc1cc(O)c2c(c1)C(=O)c1ccccc1C2=O	72177677	BTVLRPWFAAFEPN-LBPRGKRZSA-N	355.390	1.907	10	1	FDCF	
CN(C)CCCNC(=O)c1ccc2c(c1O)C(=O)c1ccccc1C2=O	5665506	AARMUMPYSKGOEX-UHFFFAOYSA-N	352.390	1.849	10	1	FDCF	
CCOC(=O)[C@H](Cc1ccccc1)NC(=O)c1nc[nH]c1/N=N/N(C)C	18142116	FUXSWPMIRUNSFI-NVMIEIDBSA-N	358.402	1.874	10	1	FDCF	
COC(=O)c1cccc2c1c(/C=C1\C(=O)NN=C1c1cnns1)cn2C	28955047	CHHYWVYIXCYGNO-WDZFZDKYSA-N	367.390	1.734	10	1	FDCF	
O=C1O[C@H](c2cc(O)c(O)c(O)c2)[C@H]2CO[C@H](c3ccc(O)c(O)c3)[C@@H]12	238736289	DTZCVRFYONZFRA-ZLHYMXRASA-N	360.318	1.816	10	1	FDCF	
COC(=O)C1=C(C(=O)OC)C(=S)[C@@H]2SC(=S)S[C@H]2C1=S	101071957	APKPIVAAWYXKLN-YUMQZZPRSA-N	364.516	1.885	10	1	FDCF	
C[C@@]1(O)CC(=O)c2cc3c(c(O)c2[C@@H]1O)C(=O)c1cccc(O)c1C3=O	2356474471	SNYSTALZINLZKC-RBUKOAKNSA-N	354.314	1.244	10	1	FDCF	
COc1cc(/C=C\c2nc3ccc(S(N)(=O)=O)cc3[nH]2)cc(O)c1O	587785899	PMTNHVKGCFTFDN-DJWKRKHSSA-N	361.379	1.801	10	1	FDCF	
O=C(NCc1ccc(O)cc1O)c1ccc2ccc(C(=O)O)c(O)c2n1	26487339	XCUIQBHAIMNBMZ-UHFFFAOYSA-N	354.318	1.980	10	1	FDCF	
CCOC(=O)c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2	238752003	BVUKYZCGYJYPPH-GOEBONIOSA-N	362.334	1.723	10	1	FDCF	
CS(=O)(=O)Nc1ccc(O)c(-c2nc3c(S)nc(S)nc3[nH]2)c1	586948255	MMWDHSHFOLZALZ-UHFFFAOYSA-N	369.453	1.674	10	1	FDCF	
COc1cccc2c1C(=O)c1ccc3c(c1C2=O)C(=O)C[C@](C)(O)[C@@H]3O	2356712800	OVGJWPXNMNXAPJ-UXHICEINSA-N	352.342	1.841	10	1	FDCF	
C[C@@H]1CN(c2snnc2C=C2C(=O)OC(C)(C)OC2=O)C[C@@H](C)O1	1417129	UCFQNOLUGHIKMH-RKDXNWHRSA-N	353.400	1.371	10	3	FDCF	
NCCn1nc2c3c(c(NCCNCCO)ccc31)C(=O)c1ccccc1-2	28757504	MXTSOKHMZMZZMU-UHFFFAOYSA-N	365.437	1.200	10	1	FDCF	
CCOC(=O)C[C@H](NC(=O)c1ccc(/N=N/N(C)C)cc1)C(=O)OCC	18100275	SLCZGQFZBZOEBG-YISVQYQQSA-N	364.402	1.862	10	1	FDCF	
COc1ccc(-c2nnnn2-c2cc(OC)c(OC)c(OC)c2)c(O)c1O	96914907	ZRUFFNZUJSJODW-UHFFFAOYSA-N	374.353	1.775	10	1	FDCF	
C[C@@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O)C1)C(=O)c1c(O)cccc1C3=O	14686540	SFRTWZQYMRMOOJ-APBUJDDRSA-N	356.330	1.309	10	1	FDCF	biogenic
Nc1ccc(CN2[C@@]3(CC(O)=NC3=O)c3ccccc3S2(=O)=O)cc1	27524247	YJUSBRMJFQRLAL-KRWDZBQOSA-N	357.391	1.555	10	1	FDCF	
O=C1c2cc(O)cc(O)c2C(=O)c2c1cc(O)c([C@H]1CCOC1=O)c2O	13907357	CCJBPPLPVJLTRD-SSDOTTSWSA-N	356.286	1.315	10	1	FDCF	biogenic
O=[N+]([O-])C1=CN=C2N=C(C(F)(F)F)NN2[C@@H]1c1ccc(O)c(O)c1O	1911571161	TWIYTPIHDNASKP-SSDOTTSWSA-N	359.220	1.113	10	1	FDCF	
CS(=O)(=O)Nc1ccc(O)c(-c2nc3cc4c(cc3[nH]2)OCC(=O)N4)c1	586948359	OFGMUILMGFUDJJ-UHFFFAOYSA-N	374.378	1.638	10	1	FDCF	
O=C1c2ccccc2C(=O)c2c(NCCCNCCNCCO)cccc21	27409452	VDLGZPDLDAWBST-UHFFFAOYSA-N	367.449	1.436	10	1	FDCF	
O=C(C=Cc1ccc(O)c(O)c1)N[C@H](Cc1ccc(O)c(O)c1)C(=O)O	2356434128	GPZFXSWMDFBRGS-GFCCVEGCSA-N	359.334	1.334	10	1	FDCF	
COC(C)=Cc1oc(C(=O)C(=O)c2ccccc2)c2c1C(=O)[C@@H](O)[C@H](O)C2	2356788143	BYCKRSGGJOJCOA-DYVFJYSZSA-N	370.357	1.813	10	1	FDCF	
CCN(CC)S(=O)(=O)c1ccc(/N=N/c2c(N)nc(O)nc2O)cc1	101475240	XHVJNXWORGNLJQ-VHEBQXMUSA-N	366.403	1.916	10	1	FDCF	
O=C(O)C(=C1OC(=O)C(c2ccc(O)c(O)c2)=C1O)c1ccc(O)c(O)c1	2356671068	MRRYHTCWZKZVIH-UHFFFAOYSA-N	372.285	1.831	10	1	FDCF	
COc1cc2c(c(OC)c1O)C(=O)c1c(O)cc(CO)c(OC)c1C2=O	14645661	MANQRFWTUFEABX-UHFFFAOYSA-N	360.318	1.391	10	1	FDCF	biogenic
COc1cccc2c1C(=O)c1ccc3c(c1C2=O)C(=O)C[C@](C)(O)[C@H]3O	2356712799	OVGJWPXNMNXAPJ-PMACEKPBSA-N	352.342	1.841	10	1	FDCF	
Cc1c2c(O)c3c(cc2cc(=O)n1CCO)C(=O)c1cccc(O)c1C3=O	2356714720	HYPICGLKTBKUOG-UHFFFAOYSA-N	365.341	1.489	10	1	FDCF	
O=C1O[C@H]([C@@H](C(=O)O)c2ccc(O)c(O)c2)C(O)=C1c1ccc(O)c(O)c1	2356833870	KKPSSEKEFZBPRL-GOEBONIOSA-N	374.301	1.572	10	1	FDCF	
Cc1c2c3c(oc1=O)C(=O)c1c(O)c([C@H](C)CO)c(O)c(O)c1[C@@]3(C)CC2	238765858	WRUFFDREDJHSIU-GLEHDBDLSA-N	372.373	1.957	10	1	FDCF	
CNS(=O)(=O)c1cc(O)c(O)c(C(=O)NCc2ccc(F)cc2)c1	72112244	YEKXMQRKLWFXJL-UHFFFAOYSA-N	354.359	1.075	10	1	FDCF	
COc1cc2c(c(O)c1[C@H]1CCCN1)C(=O)c1c(O)cc(CO)cc1C2=O	205731119	OKBSQYCJXUPKIW-GFCCVEGCSA-N	369.373	1.799	10	1	FDCF	
CCO[C@]1(C)C[C@H]2C(=O)c3c(O)c(OC)cc(O)c3C(=O)[C@@]2(O)CO1	31540984	KOMJHFZXRLRUMH-XXOHGFIPSA-N	352.339	1.006	10	1	FDCF	biogenic
O=C1O[C@@H](c2ccc(O)c(O)c2)[C@@H]2C(=O)O[C@H](c3ccc(O)c(O)c3)[C@@H]12	14959336	OMWNNTOFRRBAKJ-SYMSYNOKSA-N	358.302	1.637	10	1	FDCF	
COc1ccc(C[C@]2(O)COc3cc(OC)c(O)c(O)c3C2=O)cc1O	223709687	XNQWVIIPOYXDGM-SFHVURJKSA-N	362.334	1.370	10	1	FDCF	
CN1C[C@H]2C(=O)N(C3CCCCC3)C(=O)[C@@H]2C12C(=O)c1ccccc1C2=O	1857743832	UNTPCKJZSHNGQS-HZPDHXFCSA-N	366.417	1.684	10	1	FDCF	
O=C1NC(=O)C(=Cc2ccc(OCCOc3ccccn3)cc2)C(=O)N1	40976469	ZTBDROMPAZIAED-UHFFFAOYSA-N	353.334	1.289	10	1	FDCF	
CC=CCC[C@]12NC(=O)C[C@H](C(=O)O)N1C(=O)c1c(C)c(O)c(C)c(O)c12	2356323162	JAGZSCWWTWDTAC-WYRIXSBYSA-N	374.393	1.653	10	1	FDCF	
Oc1ccccc1CN[C@@H]1[C@H]2CO[C@@H](O2)[C@@H](n2cnc3ccccc32)[C@H]1O	2356477053	VVHYHHIFTQTLGG-SLHNCBLASA-N	367.405	1.557	10	1	FDCF	
CCNC(=O)Nc1cn(C[C@@H](O)CO)c2cc(-c3cccnc3)cnc12	653767980	SJXHDRBOVCPCJT-CQSZACIVSA-N	355.398	1.593	10	1	FDCF	
Cc1ccc(N2C(=O)[C@@H]3CN(C)C4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1	1772601089	HETICUKJHJRLDA-SJORKVTESA-N	374.396	1.864	10	1	FDCF	
COCc1cc(C[C@@H]2CC[C@@H](O)[C@H](CNCc3ccccc3O)O2)no1	2356300603	NPBVXZPWGBDSKA-IPELMVKDSA-N	362.426	1.767	10	1	FDCF	
O=C1O/C(=C(/C(=O)O)c2ccc(O)c(O)c2)C(O)=C1c1ccc(O)c(O)c1	85637405	MRRYHTCWZKZVIH-JQIJEIRASA-N	372.285	1.831	10	1	FDCF	
Cc1ccc(N2C(=O)[C@H]3[C@H](CN(C)C34C(=O)c3ccccc3C4=O)C2=O)cc1	1772601086	HETICUKJHJRLDA-DLBZAZTESA-N	374.396	1.864	10	1	FDCF	
CS(=O)(=O)Nc1cc(O)c(O)c(C(=O)NCc2ccc(F)cc2)c1	72112761	IHJWTQLQZHXXFG-UHFFFAOYSA-N	354.359	1.538	10	1	FDCF	
COc1c(O)c(O)cc2c1-c1ccc(OC)c(=O)cc1[C@@H](NC=O)CC2	32275850	DYWUETZJTIACBT-ZDUSSCGKSA-N	357.362	1.876	10	1	FDCF	biogenic
Cc1cc(O)c(O)c2c1C(=O)Oc1c(C)c(C(=O)O)c(O)c(CO)c1O2	2356760101	WVKCHHJTEWWJNY-UHFFFAOYSA-N	362.290	1.936	10	1	FDCF	
C[N+]1(Cc2cc(O)c3c(c2)C(=O)c2cccc(O)c2C3=O)CCOCC1	71316764	KVSCPAYMEBQGPE-UHFFFAOYSA-O	354.382	1.850	10	1	FDCF	
O=C1OC[C@@](O)(C(=O)c2ccc(O)c(O)c2)/C1=C\c1ccc(O)c(O)c1	13307754	DTECHVPDGIFJTE-YYLWEKDPSA-N	358.302	1.063	10	1	FDCF	
COC(=O)[C@H]1OC(=O)C(=Cc2ccc(O)c(O)c2)[C@@H]1c1ccc(O)c(O)c1	2356433496	KUDJYNNJBGQLRN-IRXDYDNUSA-N	372.329	1.775	10	1	FDCF	
C[n+]1c2ccccc2c(N[C@H](CCCNC(=N)N)C(=O)O)c2ccccc21	5884089	YPSLKHUOUIMZII-OAHLLOKOSA-O	366.445	1.946	10	1	FDCF	
COc1cccc2c1C(=O)c1cc3c(cc1C2=O)C[C@](O)([C@H](C)O)C[C@@H]3O	2356719808	IXTBRJOWYAXVBE-NRBUQOBDSA-N	368.385	1.562	10	1	FDCF	
COc1cc2c3c(c1)O[C@@]1(c4ccccc4C(=O)C(=O)[C@H]1O)[C@@H](C2)C3=O	587449960	KWLOFILNNKZOIO-SVIJTADQSA-N	350.326	1.464	10	1	FDCF	
C[C@@]1(O)CC(=O)c2c(cc(O)c3c2C(=O)c2ccc(O)c(O)c2C3=O)C1	43207885	LZCDEMGNGWSBNL-IBGZPJMESA-N	354.314	1.459	10	1	FDCF	biogenic
COC(=O)C[C@@H]1c2c(O)cc(O)cc2O[C@@H](c2ccc(O)c(O)c2)[C@H]1O	2356470951	LRFSQTVIZPMCSB-APEXYLGGSA-N	362.334	1.650	10	1	FDCF	
COC(=O)[C@H]1OC(=O)C(=Cc2ccc(O)c(O)c2)[C@H]1c1ccc(O)c(O)c1	2356433497	KUDJYNNJBGQLRN-SJORKVTESA-N	372.329	1.775	10	1	FDCF	
NCCS[C@@H]1c2c(O)cc(O)cc2O[C@H](c2ccc(O)c(O)c2)[C@@H]1O	13352011	RTWGDOBXVVOEQF-GVDBMIGSSA-N	365.407	1.737	10	1	FDCF	endogenous,in-man
O=C1OC[C@](O)(C(=O)c2ccc(O)c(O)c2)C1=Cc1ccc(O)c(O)c1	2356614686	DTECHVPDGIFJTE-GOSISDBHSA-N	358.302	1.063	10	1	FDCF	
CN1CCc2cn(C)nc2[C@@]1(C)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	963955427	PSDFOXMFLQYDQZ-LJQANCHMSA-N	371.441	1.916	10	1	FDCF	
O=C1OC[C@@](O)(C(=O)c2ccc(O)c(O)c2)C1=Cc1ccc(O)c(O)c1	2356614687	DTECHVPDGIFJTE-SFHVURJKSA-N	358.302	1.063	10	1	FDCF	
COCc1cc(C[C@@H]2CC[C@@H](O)[C@@H](CNCc3ccccc3O)O2)no1	2356300605	NPBVXZPWGBDSKA-KFKAGJAMSA-N	362.426	1.767	10	1	FDCF	
O=C1OC(=C2C(=O)Oc3cc(O)c(O)cc32)C(O)=C1c1ccc(O)cc1	2356445700	KSBHFBKGAVZFRD-UHFFFAOYSA-N	354.270	1.960	10	1	FDCF	
O=C(O)CCN1C(=O)/C(=C2/C(=O)N[C@H]3C=CC(Cl)=C[C@H]23)SC1=S	914431425	NLLDCQPHRJHMSX-TXUISCCWSA-N	370.839	1.383	10	1	FDCF	
C=Cc1c(C)nn(CCN2CCN(c3ccc(OC)cc3)CC2)c(=O)c1N	45284703	YQPPODBKFIIFDG-UHFFFAOYSA-N	369.469	1.608	10	1	FDCF	
Oc1ccccc1CN[C@@H]1[C@H]2CO[C@@H](O2)[C@@H](n2cnc3ccccc32)[C@@H]1O	2356477052	VVHYHHIFTQTLGG-OBKDMQGPSA-N	367.405	1.557	10	1	FDCF	
CN1C[C@H]2C(=O)N(C3CCCCC3)C(=O)[C@H]2C12C(=O)c1ccccc1C2=O	1857743830	UNTPCKJZSHNGQS-CVEARBPZSA-N	366.417	1.684	10	1	FDCF	
O=C(CCc1ccc(O)c(O)c1)N[C@H](Cc1ccc(O)c(O)c1)C(=O)O	28875182	FMVRAMUNMQRPNQ-GFCCVEGCSA-N	361.350	1.254	10	1	FDCF	
O=C(O)COc1c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c2c1=O	40896336	QSZHINSNAWLWKL-UHFFFAOYSA-N	360.274	1.746	10	1	FDCF	
O=C1c2ccccc2C(=O)C1(c1ccccc1)N1CCN(CCO)CC1	20178068	NXHBVDWPZBBZOJ-UHFFFAOYSA-N	350.418	1.571	10	1	FDCF	
COCCn1nc2c3c(c(NCCN)ccc31)C(=O)c1c(O)ccc(O)c1-2	28758152	FQICGXJGRIXJQM-UHFFFAOYSA-N	368.393	1.676	10	1	FDCF	
CC(C)(N)C(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)OC1CCCCC1	43172128	SNQTZEGRUQZOPD-AWEZNQCLSA-N	364.442	1.738	10	1	FDCF	
CCOC(=O)c1c(NC(=O)C[C@H]2NC(=O)NC2=O)sc2c1CCCC2	653795329	DBTVHOLRPLWRDU-SECBINFHSA-N	365.411	1.340	10	1	FDCF	
COc1ccc(N2CCN(C[C@@H](O)c3ccc(O)c(C(N)=O)c3)CC2)cc1	26993495	QACAIYPQJWXKHN-LJQANCHMSA-N	371.437	1.355	10	1	FDCF	
CNCCNc1ccc2c3c(nn2CCNC)-c2cnccc2C(=O)c13	27635381	UWTFRCMJHBBMMY-UHFFFAOYSA-N	350.426	1.493	10	1	FDCF	
COc1cc(C[C@@H]2NCCc3cc(O)c(O)cc32)cc2c1O[S@@](=O)O2	87722084	KUDOAQHCYMBOGO-UOXLDJKESA-N	363.391	1.886	10	1	FDCF	
CN(C)c1ccc2c(c1)[C@@H]1C[C@@H](CC(=O)NCC3CC3)O[C@@H](CO)[C@@H]1O2	95901867	JLJMCVQNTFDIRA-PFSLXQJOSA-N	360.454	1.663	10	1	FDCF	
Cc1ncc(COP(=O)(O)O)c(/C=C2\SC(=S)NC2=O)c1O	1860836	WJDPAGLWZIPYMX-WAPJZHGLSA-N	362.325	1.194	10	1	FDCF	
O=C1c2ccc(NC3=NCCN3)cc2C(=O)c2ccc(NC3=NCCN3)cc21	299854488	ZKKPGVWGLNPDAZ-UHFFFAOYSA-N	374.404	1.204	10	1	FDCF	
CC=Cc1cc2c(c(=O)o1)-c1c(O)c(O)c(OC)c(C(=O)O)c1[C@@H](O)O2	2356616614	ZFHFTSQJDRLEMK-KRWDZBQOSA-N	362.290	1.841	10	1	FDCF	
CCOC(=O)c1cc(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c(O)c1	13458798	RWQUSEBCPMUDRK-UHFFFAOYSA-N	350.279	1.611	10	1	FDCF	biogenic,in-vitro
CNC(=O)OCC1=C(COC(=O)NC)[C@@H](C)N(c2ccc(OC)cc2)C1	5550781	XZRNPSMHVKZAHY-GFCCVEGCSA-N	363.414	1.912	10	1	FDCF	
CC[C@@H](OC(=O)N[C@@H](CCC(=O)C=[N+]=[N-])C(=O)OC)OC(=O)C(C)(C)C	1772603833	WHSOIHUCCFXIGH-NWDGAFQWSA-N	371.390	1.230	10	1	FDCF	
COC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)/C=C/c1ccc(O)c(O)c1	34373983	XEMOVRYQMGXSLS-LVDDQXARSA-N	373.361	1.423	10	1	FDCF	
C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C3[C@@H](OCCCN=[N+]=[N-])CCC[C@@H]3[C@H]12	3782865	YYHKZOKVTULGKG-VFZGUZRASA-N	350.375	1.432	10	1	FDCF	
CCOC(=O)c1c(O)cc(O)c2c1O[C@@H](c1ccc(O)c(O)c1)[C@@H](O)C2	2356437689	BVUKYZCGYJYPPH-HOCLYGCPSA-N	362.334	1.723	10	1	FDCF	
O=C(NCc1ccc(N2CCS(=O)CC2)cc1)c1ccc([N+](=O)[O-])o1	28530725	VCJUZLIWZIGBMY-UHFFFAOYSA-N	363.395	1.687	10	1	FDCF	
CCOC(=O)c1c(O)cc(O)c2c1O[C@@H](c1ccc(O)c(O)c1)[C@H](O)C2	2356437690	BVUKYZCGYJYPPH-ZBFHGGJFSA-N	362.334	1.723	10	1	FDCF	
CN1C[C@@H]2C(=O)N(C3CCCCC3)C(=O)[C@H]2C12C(=O)c1ccccc1C2=O	1857743831	UNTPCKJZSHNGQS-HOTGVXAUSA-N	366.417	1.684	10	1	FDCF	
C[C@@H](C(=O)O)[C@H]1Cc2c(cc3c(c2O)CN([C@H](C)CCC(=O)O)C3=O)O1	103291161	UEYUGQNDRBSZRZ-JRKPZEMJSA-N	363.366	1.626	10	1	FDCF	
CN(C)c1ccc2c(c1)[C@H]1C[C@H](CC(=O)NCC3CC3)O[C@H](CO)[C@H]1O2	95901868	JLJMCVQNTFDIRA-ODZKNYGOSA-N	360.454	1.663	10	1	FDCF	
COc1cc(CCCO)ccc1O[C@H](CO)[C@H](O)c1ccc(O)c(O)c1	2356674756	SWLUBQRBRBHKLA-RTBURBONSA-N	364.394	1.505	10	1	FDCF	
C=CS(=O)(=O)N1CCN(Cc2ccc(Br)cc2O)CC1	618020229	NVKZPMPQANEBOS-UHFFFAOYSA-N	361.261	1.746	10	1	FDCF	
O=C(NC[C@@H]1OC[C@H](NCc2ccccc2O)[C@H]1O)c1ccc(F)cc1	2356287452	JFEFBAGRGRHQND-RYQLBKOJSA-N	360.385	1.179	10	1	FDCF	
NC(=O)Nc1cn(-c2ccc(-c3ccc(O)c(O)c3)cc2)nc1C(N)=O	29056843	WBAXMDZQOGAPPQ-UHFFFAOYSA-N	353.338	1.540	10	1	FDCF	
CC1=NNC(=O)[C@H]1/N=N/c1ccc(S(=O)(=O)Nc2nccs2)cc1	100905056	GVOQEMCDLZKQPG-JCNXWTJJSA-N	364.412	1.902	10	1	FDCF	
CC[C@@]1(O)Cc2c(O)c3c(c(O)c2[C@H](O)C1)C(=O)c1c(O)cccc1C3=O	14686588	QPLXURBBRSWPAU-BIBXISHDSA-N	370.357	1.700	10	1	FDCF	biogenic
CN(C)CCn1nc2c3c(c(NCCO)ccc31)C(=O)c1ccncc1-2	27630755	DWWKSGKCWFQGOH-UHFFFAOYSA-N	351.410	1.609	10	1	FDCF	
C[C@]1(O)Cc2c(O)c3c(c(O)c2[C@H](O)C1)C(=O)c1c(O)cccc1C3=O	14686534	SFRTWZQYMRMOOJ-DGIBIBHMSA-N	356.330	1.309	10	1	FDCF	biogenic
CCOC(=O)[C@]1(OCC)CC(=O)c2oc(=O)c3cc(O)c(O)c(O)c3c21	1911573826	CDBMEAOPAHNRAY-KRWDZBQOSA-N	364.306	1.291	10	1	FDCF	
O=C1c2cccnc2C(=O)c2c1c(C(=O)N1CCOCC1)c1ccccn21	473119816	MPLYQPKFMHZEHD-UHFFFAOYSA-N	361.357	1.582	10	1	FDCF	
COc1cccc2c1C(=O)c1cc3c(cc1C2=O)C[C@](O)([C@@H](C)O)C[C@@H]3O	2356719810	IXTBRJOWYAXVBE-RTNATMCPSA-N	368.385	1.562	10	1	FDCF	
CC[C@]1(O)CCc2c(cc3c(c2O)C(=O)c2c(O)cccc2C3=O)[C@H]1O	13398249	IDKOURUCIUQCEE-UXHICEINSA-N	354.358	1.994	10	1	FDCF	biogenic
O=C(O)CN(CCN(CC(=O)O)Cc1ccccc1O)Cc1ccccc1	64746580	JSDNXVMPVNBNSK-UHFFFAOYSA-N	372.421	1.866	10	1	FDCF	in-vitro
Cc1cn([C@@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)c(=O)n(Cc2ccccc2)c1=O	29340737	PVXLDCORPRSPOJ-ZNMIVQPWSA-N	357.370	1.325	10	1	FDCF	
COc1cc(O)c2c(c1)C(=O)c1c(O)c3c(c(O)c1C2=O)C(=O)O[C@@H](C)C3	13436856	NWKXJUHARHFAFD-LURJTMIESA-N	370.313	1.689	10	1	FDCF	biogenic
COc1cc(OC)c2c(c1)C(=O)c1cc(CNCCN)cc(OC)c1C2=O	96932564	BFRGFAHFKYWVPZ-UHFFFAOYSA-N	370.405	1.536	10	1	FDCF	
COc1cc(O)c2c(c1)C(=O)c1cc3c(c(O)c1C2=O)[C@H](O)C[C@](C)(O)C3	238775139	PFPVOQDOTFXBGN-ZUOKHONESA-N	370.357	1.612	10	1	FDCF	
COc1ccc(O)c2c1C(=O)c1c3c(c(CO)c(O)c1C2=O)C(=O)OC3	13371958	WVRRASZWZHBZJR-UHFFFAOYSA-N	356.286	1.045	10	1	FDCF	biogenic
O=C1O[C@@H](c2ccc(O)c(O)c2)[C@H]2C(=O)O[C@H](c3ccc(O)c(O)c3)[C@@H]12	13434306	OMWNNTOFRRBAKJ-YHUYYLMFSA-N	358.302	1.637	10	1	FDCF	
CO[C@@H]1Cc2c(cc3c(c2O)C(=O)c2c(O)cccc2C3=O)C(=O)[C@]1(C)O	13369426	JYDSLMCACANRIN-ZUOKHONESA-N	368.341	1.378	10	1	FDCF	biogenic
C[C@H](N)C(=O)Nc1cc(NC(=O)/C=C/c2ccc(O)c(O)c2)ccc1O	103178902	USPGQIYPBALTBT-HTZNOQTFSA-N	357.366	1.741	10	1	FDCF	
O=C(/C=C\c1ccc(O)c(O)c1)N[C@H](Cc1ccc(O)c(O)c1)C(=O)O	13403582	GPZFXSWMDFBRGS-GCLPIYDQSA-N	359.334	1.334	10	1	FDCF	endogenous,in-man
CN(C)C(=O)[C@@H]1CCCN(CCC(=O)c2ccc(O)c(O)c2[N+](=O)[O-])C1	13677668	FSIWJBLLJANEGQ-LLVKDONJSA-N	365.386	1.379	10	1	FDCF	
CCOC(=O)[C@@]1(C)N[C@@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(CC)C(=O)[C@@H]21	19526774	NOSSHDVZLGRGSS-QOIOWGMHSA-N	373.453	1.340	10	1	FDCF	
O=C(NCCCCCNC(=O)c1ccc(O)c(O)c1)c1ccc(O)c(O)c1	26165604	XPSLFVFYBDXQHD-UHFFFAOYSA-N	374.393	1.839	10	1	FDCF	
O=C(NCCCC[C@@H](CO)NC(=O)c1cccc(O)c1O)c1ccccc1	2356852106	QNENUNKJDXUZPE-HNNXBMFYSA-N	372.421	1.789	10	1	FDCF	
C[C@H]1NC2(C(=O)c3ccccc3C2=O)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]12	15276090	UCSAUIRKRFKHFA-RLCCDNCMSA-N	360.369	1.602	10	1	FDCF	
N[C@@H](Cc1c[nH]c2c(O)c3c(c(O)c12)C(=O)c1ccccc1C3=O)C(=O)O	28649276	OCEPXRRCFHTTPW-JTQLQIEISA-N	366.329	1.309	10	1	FDCF	
CCO[C@]1(C)C[C@H]2C(=O)c3c(O)c(OC)cc(O)c3C(=O)[C@]2(O)CO1	5576099	KOMJHFZXRLRUMH-SNQGTBLJSA-N	352.339	1.006	10	1	FDCF	biogenic
O=C1NC(=O)C(=CNc2cccc3c2C(=O)c2ccccc2C3=O)C(=O)N1	1772657341	KPBDMMMBIBHSEF-UHFFFAOYSA-N	361.313	1.124	10	1	FDCF	
O=[N+]([O-])c1cn2c(n1)OC[C@@H](NCc1ccc(OC(F)(F)F)cc1O)C2	72179191	CAVLWWNCACQDPU-VIFPVBQESA-N	374.275	1.946	10	1	FDCF	
O=C1c2ccccc2C(=O)c2c1nnn2CCCCCCP(=O)(O)O	1857538222	XQKYKIXLDRPSHC-UHFFFAOYSA-N	363.310	1.792	10	1	FDCF	
COc1cc(O)c2c(c1)C(=O)c1cc3c(c(O)c1C2=O)[C@@H](O)C[C@@](C)(O)C3	2356526932	PFPVOQDOTFXBGN-RBZFPXEDSA-N	370.357	1.612	10	1	FDCF	
COc1cc(CCCO)ccc1O[C@H](CO)[C@@H](O)c1ccc(O)c(O)c1	238776339	SWLUBQRBRBHKLA-MOPGFXCFSA-N	364.394	1.505	10	1	FDCF	
COc1ccc(C/N=N/CC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1	169702834	VRBUINXSTYZOHX-VHEBQXMUSA-N	362.411	1.934	10	1	FDCF	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(=O)C(=O)CC2=O)N1	587822203	JEELUOSDDGCBDQ-ZIDLFYJRSA-N	354.175	1.819	10	1	FDCF	
COC(=O)[C@H](O)CS[C@@H]1CC(=O)C(=O)CCCCC[C@@H](C)OC1=O	2356325783	QVKWIAHHXHGDHB-LERXQTSPSA-N	360.428	1.046	10	1	FDCF	
CC(C)(N)C(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)OCc1ccccc1	96937351	KFTGAAMYIPQPRD-HNNXBMFYSA-N	372.421	1.606	10	1	FDCF	
O=C(C=Cc1ccc(O)c(O)c1)O[C@H](CO)[C@@H](O)c1ccc(O)c(O)c1	2356454492	NRVUZQPQUPWBKS-AEFFLSMTSA-N	362.334	1.160	10	1	FDCF	
O=[N+]([O-])C1=CN=C2NC(c3ccco3)=NN2[C@H]1c1ccc(O)c(O)c1O	1911571329	IWMFCZYYDMWHCV-NSHDSACASA-N	357.282	1.192	10	1	FDCF	
CN(C)C(=O)c1cccc(/N=c2\c(O)c(O)\c2=N/C2CCCCC2)c1O	38147696	VRKCMVBIHFDGFU-SIBCGJTDSA-N	357.410	1.847	10	1	FDCF	
Cc1cn([C@@H]2C[C@@H](N=[N+]=[N-])[C@@H](CO)O2)c(=O)n(Cc2ccccc2)c1=O	29340731	PVXLDCORPRSPOJ-KFWWJZLASA-N	357.370	1.325	10	1	FDCF	
Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](COC(=O)c3cccnc3)O2)c(=O)[nH]c1=O	17176718	KMIYVSVERCALME-YNEHKIRRSA-N	372.341	1.063	10	1	FDCF	
O=C1O[C@H](c2cc(O)c(O)c(O)c2)[C@@H]2CO[C@H](c3ccc(O)c(O)c3)[C@@H]12	2356635617	DTZCVRFYONZFRA-BKDWLSIVSA-N	360.318	1.816	10	1	FDCF	
COc1ccc(N(C)C[C@@H](C)NC[C@@H](O)c2ccc(O)c(C(N)=O)c2)cc1	27739598	MSGMVACOKUQPKO-BFUOFWGJSA-N	373.453	1.648	10	1	FDCF	
O=C1c2ccccc2C(=O)c2c1nnn2-c1ccc(N2CCOCC2)nc1	1911582478	MMYOJVRYZPPDIS-UHFFFAOYSA-N	361.361	1.274	10	1	FDCF	
NC(=O)[C@H](Cc1ccc(O)c(O)c1)[C@H](Cc1ccc(O)c(O)c1)C(=O)O	27189780	MGQTXKULYUUFND-NEPJUHHUSA-N	361.350	1.097	10	1	FDCF	
O=C(C=Cc1ccc(O)c(O)c1)O[C@@H](CO)[C@@H](O)c1ccc(O)c(O)c1	2356454495	NRVUZQPQUPWBKS-WMZOPIPTSA-N	362.334	1.160	10	1	FDCF	
O=S(=O)(O)O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1	96014490	FLSYXGAHKYHTCZ-HUUCEWRRSA-N	370.335	1.373	10	1	FDCF	biogenic
O=C1OC2(C(=O)c3ccccc3C2=O)[C@@H](C(=O)c2ccc(F)cc2)C1=O	100288897	FMMSHIRTOPJODN-ZDUSSCGKSA-N	352.273	1.569	10	1	FDCF	
CN1CCN(C(=O)c2c3c(n4ccccc24)C(=O)c2ncccc2C3=O)CC1	473114084	ITAZWBJUXZEGIS-UHFFFAOYSA-N	374.400	1.497	10	1	FDCF	
Cc1ccc(/N=N/c2c(N)n3nc(S(N)(=O)=O)sc3nc2=O)cc1	96907268	CGAKDBUUQSXYAZ-WUKNDPDISA-N	365.400	1.104	10	1	FDCF	
C[C@@H](CCC(=O)O)N1Cc2c(cc3c(c2O)C[C@H]([C@@H](C)C(=O)O)O3)C1=O	103291156	UEYUGQNDRBSZRZ-IGJMFERPSA-N	363.366	1.626	10	1	FDCF	
O=C1O[C@@H]([C@H](C(=O)O)c2ccc(O)c(O)c2)C(O)=C1c1ccc(O)c(O)c1	2356833872	KKPSSEKEFZBPRL-ZBFHGGJFSA-N	374.301	1.572	10	1	FDCF	
O=S(=O)(O)O[C@H]1Cc2cc(O)cc(O)c2O[C@@H]1c1ccc(O)c(O)c1	206756885	WTXWEAXATVSZQX-DZGCQCFKSA-N	370.335	1.373	10	1	FDCF	in-man
CC[C@@H](CO)NC(=O)[C@H]1C=C2c3cccc4c3c(cn4C)C[C@@H]2N(C)C1	601286	KPJZHOPZRAFDTN-DOXZYTNZSA-N	353.466	1.935	10	1	FDCF	
Cc1nc2sc(S(N)(=O)=O)nn2c(=O)c1/N=N/c1ccccc1	72178573	YQRUCHICVGJLST-FOCLMDBBSA-N	350.385	1.522	10	1	FDCF	
CC[C@]1(O)Cc2c(cc3c(c2O)C(=O)c2cccc(O)c2C3=O)[C@H](O)C1	13398230	FOBDELRRPLBMOS-VLIAUNLRSA-N	354.358	1.994	10	1	FDCF	biogenic
[N-]=[N+]=Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1C[C@H](N)C(=O)O	587623226	PBEGOGOSDIEZHW-QMMMGPOBSA-N	363.175	1.410	10	1	FDCF	
COC(=O)[C@H](O)CS[C@H]1CC(=O)C(=O)CCCCC[C@@H](C)OC1=O	2356325781	QVKWIAHHXHGDHB-HONMWMINSA-N	360.428	1.046	10	1	FDCF	
CC(=O)N(C(C)=O)S(=O)(=O)c1ccc(/N=N\N2CCOCC2)cc1	101461262	UUKBQZZSQCJFST-NXVVXOECSA-N	354.388	1.101	10	1	FDCF	
CCO[C@]1(C)C[C@@H]2C(=O)c3c(O)c(OC)cc(O)c3C(=O)[C@]2(O)CO1	5576098	KOMJHFZXRLRUMH-INUFPEASSA-N	352.339	1.006	10	1	FDCF	biogenic
NC(=O)[C@H](Cc1ccc(O)c(O)c1)[C@@H](Cc1ccc(O)c(O)c1)C(=O)O	27189769	MGQTXKULYUUFND-VXGBXAGGSA-N	361.350	1.097	10	1	FDCF	
CN1C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C12C(=O)c1ccccc1C2=O	1772644946	NCCUFUYPORBWPH-DLBZAZTESA-N	374.396	1.551	10	1	FDCF	
O=C(COc1ccc(/C=C2/C(=O)NC(=O)N=C2O)cc1)Nc1ccccn1	73224345	KPBNGQZNNSEUCT-UHFFFAOYSA-N	366.333	1.689	10	1	FDCF	
NCCS[C@H]1c2c(O)cc(O)cc2O[C@H](c2ccc(O)c(O)c2)[C@H]1O	14419600	RTWGDOBXVVOEQF-ZACQAIPSSA-N	365.407	1.737	10	1	FDCF	
COc1ccc(C[C@H]2COC(=O)[C@]2(O)Cc2ccc(O)c(O)c2)cc1OC	14646917	ICLKSXRVILEJPK-XOBRGWDASA-N	374.389	1.804	10	1	FDCF	biogenic,in-vitro
COc1ccc(C[C@@H]2COC(=O)[C@]2(O)Cc2ccc(O)c(O)c2)cc1OC	14646915	ICLKSXRVILEJPK-VLIAUNLRSA-N	374.389	1.804	10	1	FDCF	biogenic
Nc1ccc(CN2[C@]3(CC(O)=NC3=O)c3ccccc3S2(=O)=O)cc1	27524248	YJUSBRMJFQRLAL-QGZVFWFLSA-N	357.391	1.555	10	1	FDCF	
Cc1c2c3c(oc1=O)C(=O)c1c(O)c([C@@H](C)CO)c(O)c(O)c1[C@]3(C)CC2	2356391650	WRUFFDREDJHSIU-SVWIBVJCSA-N	372.373	1.957	10	1	FDCF	
COc1cc(OC)c2c(c1)OC[C@@H](OC(=O)c1cc(O)c(O)c(O)c1)C2	13438105	QEWXEVYMYZMESU-NSHDSACASA-N	362.334	1.981	10	1	FDCF	
CCOC(=O)c1ccc(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1O	33831116	NWBKRKSLGGHRGD-UHFFFAOYSA-N	350.279	1.611	10	1	FDCF	biogenic,in-vitro
O=C(NCCCCNC(=O)c1cccc(O)c1O)c1cccc(O)c1O	38543559	FBRVRHJYPWFVCL-UHFFFAOYSA-N	360.366	1.449	10	1	FDCF	in-vitro
CC=CCC[C@]12NC(=O)C[C@@H](C(=O)O)N1C(=O)c1c(C)c(O)c(C)c(O)c12	2356323161	JAGZSCWWTWDTAC-WLRWDXFRSA-N	374.393	1.653	10	1	FDCF	
CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C\NC12CN3CN(CN(C3)C1)C2	104435459	NDZWCAJWUUJRNN-WSVATBPTSA-N	366.469	1.058	10	3	FDCF	
C[C@]1(O)CC(=O)c2cc3c(c(O)c2[C@H]1O)C(=O)c1cccc(O)c1C3=O	2356474469	SNYSTALZINLZKC-MOPGFXCFSA-N	354.314	1.244	10	1	FDCF	
CN(CCO)c1nc2cc(O)c3c(c2s1)C(=O)c1cccc(O)c1C3=O	299825219	DNBUJTBYACZKAP-UHFFFAOYSA-N	370.386	1.911	10	1	FDCF	
O=C1N=C2[C@@H](C(=O)N=C3SC([N+](=O)[O-])=CN32)[C@H](c2ccccc2O)N1	95583621	ZCWQOQRWLOWSCY-UWVGGRQHSA-N	359.323	1.192	10	1	FDCF	
COc1cc(CCCO)ccc1O[C@@H](CO)[C@H](O)c1ccc(O)c(O)c1	2356674755	SWLUBQRBRBHKLA-RBUKOAKNSA-N	364.394	1.505	10	1	FDCF	
O=C1CC[C@H](c2c(O)cc3c(c2O)C[C@@H](O)[C@H](c2ccc(O)c(O)c2)O3)N1	2356347964	UCIRBQYYKCLWFF-YEHQLJQYSA-N	373.361	1.497	10	1	FDCF	
O=C1O/C(=C(/C(=O)O)c2ccc(O)c(O)c2)C=C1c1ccc(O)c(O)c1	238752059	HSRWZTVMPOHPJQ-FOCLMDBBSA-N	356.286	1.945	10	1	FDCF	
CN1C[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2C12C(=O)c1ccccc1C2=O	1772573884	PVQLJECXCVEEQE-HZPDHXFCSA-N	360.369	1.556	10	1	FDCF	
COc1ccc(C[C@H]2COC(=O)[C@@]2(O)Cc2ccc(O)c(O)c2)cc1OC	14646913	ICLKSXRVILEJPK-VBKZILBWSA-N	374.389	1.804	10	1	FDCF	biogenic
O=C(O)[C@@H](Cc1ccc(O)c(O)c1)[C@H](Cc1ccc(O)c(O)c1)C(=O)O	3589970	HEWZPXBMFIXHJK-RYUDHWBXSA-N	362.334	1.696	10	1	FDCF	
C[C@@]1(O)Cc2cc3c(c(O)c2[C@H](O)C1)C(=O)c1c(O)ccc(O)c1C3=O	83924414	ZXSUNXLOTJSSKD-NSPYISDASA-N	356.330	1.309	10	1	FDCF	biogenic,in-vitro
CCC(=O)c1c(CC(=O)O)c(O)cc2c1C(=O)c1c(O)cc(O)cc1C2=O	13480499	GRFFSJHZWJYRQP-UHFFFAOYSA-N	370.313	1.799	10	1	FDCF	biogenic
COC(=O)[C@@H](Cc1ccc(O)c(O)c1)NC/C=C/c1ccc(O)c(O)c1	13553527	XTAZDMIBNIHBGF-BAABZTOOSA-N	359.378	1.896	10	1	FDCF	
CC(C)(C)c1oc(=O)oc1COC(=O)[C@](C)(N)Cc1ccc(O)c(O)c1	27752720	FMRHZALNRFYRHW-GOSISDBHSA-N	365.382	1.945	10	1	FDCF	
O=[N+]([O-])C1=CN=C2NC(c3ccco3)=NN2[C@@H]1c1ccc(O)c(O)c1O	1911571328	IWMFCZYYDMWHCV-LLVKDONJSA-N	357.282	1.192	10	1	FDCF	
O=C1c2cccc([N+](=O)[O-])c2C(=O)[C@@H]1c1ccc2c(O)nc(O)nc2n1	587552626	ASYZHPZHXSRTEN-LLVKDONJSA-N	352.262	1.507	10	1	FDCF	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(=O)C(=O)CC2=O)N1	587822198	JEELUOSDDGCBDQ-KWKYVRJSSA-N	354.175	1.819	10	1	FDCF	
O=C1O[C@H]([C@H](C(=O)O)c2ccc(O)c(O)c2)C(O)=C1c1ccc(O)c(O)c1	2356833869	KKPSSEKEFZBPRL-GDBMZVCRSA-N	374.301	1.572	10	1	FDCF	
CC(C)(O)[C@@H]1Oc2c(CO)cc3c(c2[C@@H]1O)C(=O)c1cccc(O)c1C3=O	13383128	PDGGEMXVDWVFTE-PKOBYXMFSA-N	370.357	1.225	10	1	FDCF	biogenic,in-vitro
CC[C@@]1(O)CCc2c(cc3c(c2O)C(=O)c2c(O)cccc2C3=O)[C@H]1O	13398252	IDKOURUCIUQCEE-WOJBJXKFSA-N	354.358	1.994	10	1	FDCF	biogenic
OC[C@H]1O[C@H](Nc2ccc(/N=N\c3ccccc3)cc2)[C@@H](O)[C@@H](O)[C@@H]1O	102633541	XLLPWDQXXAEDJC-ACYJSYJRSA-N	359.382	1.314	10	1	FDCF	
O=c1nc(NCc2ccc(N3CCOCC3)cc2)c2cccnc2n1O	169350746	ALEYJQARMFFVHI-UHFFFAOYSA-N	353.382	1.478	10	1	FDCF	
C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)C)Oc2ccc(N(C)C)cc2CC1=O	95774062	USULTRQPIHELKR-VCBZYWHSSA-N	363.502	1.463	10	1	FDCF	
CN(CCOCCN(C)c1ccc(C(N)N)cc1)c1ccc(C(N)N)cc1	474609721	TXQMOIXYKLUYQE-UHFFFAOYSA-N	372.517	1.108	10	1	FDCF	
COC(=O)Cc1cc(O)cc2oc(-c3cc(O)c(O)c(O)c3)cc(=O)c12	84653774	KSXNMXZRSOPOBO-UHFFFAOYSA-N	358.302	1.998	10	1	FDCF	
Oc1ccccc1CN[C@@H]1[C@H]2CO[C@@H](O2)[C@@H](n2cc(Cl)cn2)[C@@H]1O	2356578556	WDWVAHYYAYCKFO-LJIZCISZSA-N	351.790	1.058	10	1	FDCF	
COC(C)=Cc1oc(C(=O)C(=O)c2ccccc2)c2c1C(=O)[C@@H](O)[C@@H](O)C2	2356788144	BYCKRSGGJOJCOA-GUYCJALGSA-N	370.357	1.813	10	1	FDCF	
O=C1c2ccccc2-c2c1c1ccc([N+](=O)[O-])cc1c(=O)n2C[C@H](O)CO	72177462	VKOFORAZWBGECJ-NSHDSACASA-N	366.329	1.474	10	1	FDCF	
COCCOCCOc1ccc(/C=C2\C(=O)NC(=S)N=C2O)cc1	45286793	XBCNMHOSOSSHDH-UHFFFAOYSA-N	350.396	1.483	10	1	FDCF	
C[C@H]1CN([C@H](C)CO)C(=O)Cc2cc(N(C)C)ccc2O[C@@H]1CN(C)C	95755110	USULTRQPIHELKR-QMTMVMCOSA-N	363.502	1.463	10	1	FDCF	
O=C(N[C@@H]1CN(Cc2ccccc2O)CCC[C@@H]1O)c1ccc(O)cc1	2356876503	ZLDWZNQNUCBJEG-MJGOQNOKSA-N	356.422	1.853	10	1	FDCF	
NS(=O)(=O)c1ccc(/N=N/Cc2ccc(O)cc2O)c([N+](=O)[O-])c1	169700579	CGCNAXPOEUYUQI-FOCLMDBBSA-N	352.328	1.937	10	1	FDCF	
COc1ccc(N2CCN([C@@H](C)C(=O)N3C[C@H](C)O[C@@H](C)C3)CC2)cc1	12550780	LVGFEGPBCNDXHU-ULQDDVLXSA-N	361.486	1.842	10	1	FDCF	
CC(=O)C[C@@H]1Cc2cc3c(c(O)c2C(=O)O1)C(=O)c1c(O)cccc1C3=O	2356793684	HLKLQODPDQRONB-SNVBAGLBSA-N	366.325	1.934	10	1	FDCF	
CCC[C@H](O)CN1CCC(=O)N(CCOC)Cc2cc3c(cc21)OCO3	299852234	PFUCLDZUWQBUQV-HNNXBMFYSA-N	364.442	1.761	10	1	FDCF	
O=C1NC(=S)NC(=O)C1=CNc1cc([N+](=O)[O-])ccc1C(F)(F)F	473090322	OKRQHAMUQJMPJF-UHFFFAOYSA-N	360.273	1.440	10	1	FDCF	
CC(=O)C[C@H]1Cc2cc3c(c(O)c2C(=O)O1)C(=O)c1c(O)cccc1C3=O	2356793683	HLKLQODPDQRONB-JTQLQIEISA-N	366.325	1.934	10	1	FDCF	
O=C(O)[C@H](CO)N/C=C1\C(=O)N(c2ccccc2)N=C1c1ccccc1	72176570	PCYQPSMHVGKFER-QZFKAFNDSA-N	351.362	1.357	10	1	FDCF	
O=C(NCCNC[C@H](O)COc1ccc(O)c(O)c1)Nc1ccccc1	26961267	RZYHKNUZFSQUIH-AWEZNQCLSA-N	361.398	1.249	10	1	FDCF	
COc1cc(C[C@@H]2NCCc3cc(O)c(O)cc32)cc2c1O[S@](=O)O2	87722087	KUDOAQHCYMBOGO-VDBVYFBLSA-N	363.391	1.886	10	1	FDCF	
CN1C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2C12C(=O)c1ccccc1C2=O	1772644948	NCCUFUYPORBWPH-IRXDYDNUSA-N	374.396	1.551	10	1	FDCF	
O=C1c2cc(O)cc(O)c2C(=O)c2c1cc1c(c2O)[C@@H]2C[C@@H](O)O[C@@H]2O1	6091289	CNZWBNAVIYOMMR-XYVASLDOSA-N	356.286	1.120	10	1	FDCF	biogenic
COc1cccc2c1C(=O)c1ccc3c(c1C2=O)C(=O)C[C@H](CO)[C@@H]3O	2356803230	WVXGQSDQLYHBMZ-LZVRBXCZSA-N	352.342	1.699	10	1	FDCF	
Cc1c(O)c(O)c2c(c1C=O)[C@H]1O[C@@H](O2)c2c(O)c(O)c(O)c(C)c2C1=O	206164027	VFBCGYVZJVAFIO-AEFFLSMTSA-N	374.301	1.989	10	1	FDCF	
O=C1N(c2ccccc2)N(c2ccccc2)C(=O)C1(O)N1CCOCC1	2356283843	CZEVFXIAKFXTPG-UHFFFAOYSA-N	353.378	1.002	10	1	FDCF	
NC(=O)[C@@H](Cc1ccc(O)c(O)c1)[C@H](Cc1ccc(O)c(O)c1)C(=O)O	27189774	MGQTXKULYUUFND-RYUDHWBXSA-N	361.350	1.097	10	1	FDCF	
O=C(C=Cc1ccc(O)c(O)c1)O[C@H](CO)[C@H](O)c1ccc(O)c(O)c1	2356454494	NRVUZQPQUPWBKS-SJLPKXTDSA-N	362.334	1.160	10	1	FDCF	
Cc1cc(N)nc(C[C@H]2CNC[C@H]2OCCNCc2ccccc2O)c1	73309995	YLQFJYDIDCSGLP-QFBILLFUSA-N	356.470	1.615	10	1	FDCF	in-vitro
CN(C)c1ccc([C@H]2SCC(=O)N2NC(=O)c2nccnc2N)cc1	653918435	FFNALQSTCMAQRS-MRXNPFEDSA-N	358.427	1.044	10	1	FDCF	
NCCCNc1ccc2c3c(nn2CCN)-c2c(O)ccc(O)c2C(=O)c13	28758823	BTVIPNXDYGLHTB-UHFFFAOYSA-N	367.409	1.378	10	1	FDCF	
COC(=O)[C@@H]1C[C@@H]2CC[C@@H](O)C[C@@H]2N1Cc1ccc(N2CCOCC2)cc1	64672429	GPQRNZJCZKBIBV-RNQOJCNYSA-N	374.481	1.800	10	1	FDCF	
O=C(CN1CCOCC1)Nc1csc2c1C(=O)c1ccccc1C2=O	72106325	JAPUXWIRSKPHLX-UHFFFAOYSA-N	356.403	1.794	10	1	FDCF	
CC(C)O[C@H]1N([C@@H]2C[C@H](N=[N+]=[N-])[C@H](CO)O2)C(=O)NC(=O)[C@]1(C)Cl	5732880	PXQTVVJAOJEANQ-WJDYBODASA-N	361.786	1.073	10	1	FDCF	
CN(C)c1ccc(CNC(=O)COC(=O)CN2CCCCCC2=O)cc1	7096594	YYGHNFQZHCAOCY-UHFFFAOYSA-N	361.442	1.315	10	1	FDCF	biogenic
COC(=O)N1CCN(/[N+]([O-])=N/Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1	13831459	VUWQXQXCPDFPCD-AQTBWJFISA-N	370.278	1.058	10	1	FDCF	
CS(=O)(=O)Nc1ccc(O)c(-c2nc3cc4nc(O)[nH]c4cc3[nH]2)c1	586948627	PTHAMIUVEOVQPF-UHFFFAOYSA-N	359.367	1.889	10	1	FDCF	
O=c1[nH]nc(Sc2ncc([N+](=O)[O-])s2)n1-c1ccc([N+](=O)[O-])cc1	40834200	PWPAEPVDSKUANZ-UHFFFAOYSA-N	366.340	1.985	10	1	FDCF	
CC[C@H](OC(=O)N[C@@H](CCC(=O)C=[N+]=[N-])C(=O)OC)OC(=O)C(C)(C)C	1772603834	WHSOIHUCCFXIGH-RYUDHWBXSA-N	371.390	1.230	10	1	FDCF	
C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(=O)C(=O)CC2=O)N1	587822201	JEELUOSDDGCBDQ-NZFNHWASSA-N	354.175	1.819	10	1	FDCF	
O=C1O[C@H](c2cc(O)c(O)c(O)c2)[C@@H]2CO[C@H](c3ccc(O)c(O)c3)[C@H]12	2356635620	DTZCVRFYONZFRA-POPRUWOMSA-N	360.318	1.816	10	1	FDCF	
O=C(N[C@H](CO)CCCCNC(=O)c1cccc(O)c1O)c1ccccc1	2356864385	VUGACXFHBLOACI-HNNXBMFYSA-N	372.421	1.789	10	1	FDCF	
CC(=O)Oc1ccccc1C(=O)OCO/N=[N+](\[O-])N1CCC[C@H]1C(=O)O	95783713	UOOLBRVRWZISAK-UFZXGQNFSA-N	367.314	1.084	10	1	FDCF	
O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H](Cc1cccc(O)c1O)C(=O)O	148488585	ZZAFFYPNLYCDEP-ZKKXHLJNSA-N	360.318	1.761	10	1	FDCF	
CC[C@]1(O)CCc2c(O)c3c(c(O)c2[C@H]1O)C(=O)c1c(O)cccc1C3=O	238751424	NZWQEPAWMMWGOL-UXHICEINSA-N	370.357	1.700	10	1	FDCF	
N=C(N)NCCC[C@H](Nc1c2ccccc2[n+]([O-])c2ccccc12)C(=O)O	17193670	WOEBTCAQBCEGHJ-AWEZNQCLSA-N	367.409	1.755	10	1	FDCF	
CCOC(=O)c1c(NC(=O)C[C@H]2SC(=N)NC2=O)sc2c1CCC2	45245732	KIHMRMUMZYKJET-SECBINFHSA-N	367.452	1.908	10	1	FDCF	
O=C1NC(=O)[C@@](CN2Cc3ccc(F)cc3C2=O)(c2ccccc2O)N1	49036870	JCJNPNRZJNFMTI-GOSISDBHSA-N	355.325	1.222	10	1	FDCF	
Nc1ncc(-c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)c(O)n1	587253869	RSABCMBVWRKMAK-UHFFFAOYSA-N	357.329	2.083	10	1	FDCF	
C[C@@H](O)C(=O)Oc1cc(O)c2c(=O)cc(-c3ccc(O)c(O)c3)oc2c1	14757168	RWLCWWWLTRAVKI-MRVPVSSYSA-N	358.302	1.863	10	1	FDCF	biogenic
COc1cccc2c1C(=O)c1ccc3c(c1C2=O)C(=O)[C@H](O)[C@](C)(O)C3	238786146	CYUIQPZRYPIJJM-VQTJNVASSA-N	352.342	1.321	10	1	FDCF	
COc1cc(O)c2c(c1)C(=O)c1cc3c(c(O)c1C2=O)[C@@H](O)C[C@](C)(O)C3	2356526933	PFPVOQDOTFXBGN-RNODOKPDSA-N	370.357	1.612	10	1	FDCF	
CC[C@@]1(O)CCc2c(O)c3c(c(O)c2[C@H]1O)C(=O)c1c(O)cccc1C3=O	2356688835	NZWQEPAWMMWGOL-WOJBJXKFSA-N	370.357	1.700	10	1	FDCF	
CN(C)c1ccc2c(c1)[C@@H]1C[C@H](CC(=O)NCC3CC3)O[C@H](CO)[C@@H]1O2	95901865	JLJMCVQNTFDIRA-IHMNZUQTSA-N	360.454	1.663	10	1	FDCF	
CN(C)CCNc1ccc2c3c(nn2CCN)-c2cnccc2C(=O)c13	835581	KNKFPJFYDOSPTJ-UHFFFAOYSA-N	350.426	1.575	10	1	FDCF	
CN1C[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C12C(=O)c1ccccc1C2=O	1772644947	NCCUFUYPORBWPH-IAGOWNOFSA-N	374.396	1.551	10	1	FDCF	
COC(=O)c1c(C)c(O)c2c(c1O)C(=O)c1c(O)cc(OC)cc1C2=O	14760961	XSPIEADSDIMXPV-UHFFFAOYSA-N	358.302	1.682	10	1	FDCF	biogenic
COc1cc(C=C2C(=O)O[C@@H](C(=O)O)[C@@H]2c2ccc(O)c(O)c2)ccc1O	2356739258	NAEJDUPVTGZEOB-IAGOWNOFSA-N	372.329	1.989	10	1	FDCF	
COc1cc2c3c(c1)O[C@@](Cc1ccc(O)c(O)c1)(C(=O)O)[C@@H](C2)C3=O	587448234	BDRDHLYCTXIMQE-HXPMCKFVSA-N	356.330	1.920	10	1	FDCF	
COc1cc(O)c2c(c1)C(=O)c1cc(C)c(OS(=O)(=O)O)cc1C2=O	148005177	CITCDKZOBAZVCS-UHFFFAOYSA-N	364.331	1.666	10	1	FDCF	
NCCNc1c2c(c(NCCN)c3occc13)C(=O)c1ccccc1C2=O	653806287	PALCJDXRZVZWMC-UHFFFAOYSA-N	364.405	1.949	10	1	FDCF	
COc1cc(N(C)Cc2c[nH]c3nc(N)[nH]c(=O)c23)cc(OC)c1OC	13863056	SYEFVJGLOMHTOL-UHFFFAOYSA-N	359.386	1.496	10	1	FDCF	
O=C1N=C2[C@@H](C(=O)N=C3SC([N+](=O)[O-])=CN32)[C@@H](c2ccccc2O)N1	95583620	ZCWQOQRWLOWSCY-VHSXEESVSA-N	359.323	1.192	10	1	FDCF	
CC(C)CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)C(C)(C)N	96937352	MMKLRNXGWRYZGU-ZDUSSCGKSA-N	352.431	1.452	10	1	FDCF	
O=C1CC[C@H](c2c(O)cc(O)c3c2O[C@@H](c2ccc(O)c(O)c2)[C@@H](O)C3)N1	2356348109	ZGIKMQJUZZSYOY-LOTHZSBOSA-N	373.361	1.497	10	1	FDCF	
CN(C)CCNC(=O)c1c2c(n3ccccc13)C(=O)c1ncccc1C2=O	59097939	SSCOOHUTISQYCI-UHFFFAOYSA-N	362.389	1.401	10	1	FDCF	
O=Cc1ccc2c(c1)O[C@@H](c1ccc(O)c(O)c1)[C@@H](OS(=O)(=O)O)O2	13339848	HRSCGKVISDRQDA-LSDHHAIUSA-N	368.319	1.568	10	1	FDCF	biogenic
CN(C)C(=O)N(CCCN1CCOCC1)Cc1cc([N+](=O)[O-])ccc1O	40916650	GAHKCMBXUQQIPH-UHFFFAOYSA-N	366.418	1.506	10	1	FDCF	
CC[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O)C1)C(=O)c1c(O)cccc1C3=O	14686590	QPLXURBBRSWPAU-YBTHPKLGSA-N	370.357	1.700	10	1	FDCF	biogenic
COc1c(O)cc([C@@H]2CC(=O)c3c(O)c(O)c(O)c(O)c3O2)c(O)c1O	238747990	OEMGXTOORNZOFO-ZETCQYMHSA-N	366.278	1.341	10	1	FDCF	
COc1ccc(N(C)C[C@@H](C)NC[C@H](O)c2ccc(O)c(C(N)=O)c2)cc1	40514399	MSGMVACOKUQPKO-YJYMSZOUSA-N	373.453	1.648	10	1	FDCF	
CNC(=O)OCC1=C(COC(=O)NC)[C@H](C)N(c2ccc(OC)cc2)C1	5551446	XZRNPSMHVKZAHY-LBPRGKRZSA-N	363.414	1.912	10	1	FDCF	
CCCc1nc2c(n1CCN1CCOCC1)C(=O)c1ccccc1C2=O	1857751864	CSCZJROHFNYWNK-UHFFFAOYSA-N	353.422	1.943	10	1	FDCF	
O=[N+]([O-])C1=CN=C2N=C(C(F)(F)F)NN2[C@H]1c1c(O)cc(O)cc1O	1911581791	FQTCVZSYDKQZHM-SECBINFHSA-N	359.220	1.113	10	1	FDCF	
c1cc(N2CCc3c(-c4cncnc4)nc(N4CCOCC4)nc32)ccn1	95593836	RXWWJMGHOJYAPM-UHFFFAOYSA-N	361.409	1.859	10	1	FDCF	
CC[C@@]1(O)Cc2cc3c(c(O)c2[C@H](O)C1)C(=O)c1c(O)cccc1C3=O	83922598	VEGKEBGNNYINQB-ZUOKHONESA-N	354.358	1.994	10	1	FDCF	biogenic,in-vitro
CCCCOC(=O)OC[C@@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@H]1N=[N+]=[N-]	38145257	MXVPDNPBKUBQAY-GRYCIOLGSA-N	367.362	1.765	10	1	FDCF	
COC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)/C=C/c1ccc(O)cc1	98083670	IWPGIUUANVCQFU-BOSPYUDASA-N	357.362	1.717	10	1	FDCF	
COc1cc(N(C)Cc2cnc3nc(N)nc(N)c3c2)cc(OC)c1OC	3814983	RKRQAWUHVNRFPB-UHFFFAOYSA-N	370.413	1.851	10	1	FDCF	
CC(C)(O)[C@@H]1Oc2c(CO)cc3c(c2[C@H]1O)C(=O)c1cccc(O)c1C3=O	13383126	PDGGEMXVDWVFTE-IEBWSBKVSA-N	370.357	1.225	10	1	FDCF	biogenic
O=C1OC[C@](O)(C(=O)c2ccc(O)c(O)c2)/C1=C\c1ccc(O)c(O)c1	13307752	DTECHVPDGIFJTE-RKMNRJFLSA-N	358.302	1.063	10	1	FDCF	
O=C(O)CCN1C(=O)/C(=C2/C(=O)N[C@@H]3C=CC(Cl)=C[C@H]23)SC1=S	914431423	NLLDCQPHRJHMSX-DRWISVGVSA-N	370.839	1.383	10	1	FDCF	
CN1CCc2cn(C)nc2[C@]1(C)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	963955426	PSDFOXMFLQYDQZ-IBGZPJMESA-N	371.441	1.916	10	1	FDCF	
O=C1O[C@H](c2ccc(O)c(O)c2)[C@@H](C(=O)O)C1=Cc1ccc(O)c(O)c1	2356448083	OIVDIVRTEKNHDH-JKSUJKDBSA-N	358.302	1.891	10	1	FDCF	
C[C@@]1(O)CCc2c(O)c3c(c(O)c2[C@H]1O)C(=O)c1cccc(O)c1C3=O	14686554	YFHZESLRJALUJG-RTBURBONSA-N	356.330	1.309	10	1	FDCF	biogenic
CC(C)C(=O)N1C[C@H]2COCCN2C2(CN(Cc3ccccc3O)C2)C1	2356753701	WLZITMFQRKXDMV-KRWDZBQOSA-N	359.470	1.146	10	1	FDCF	
CN(C)c1ccc2c(c1)[C@@H]1C[C@H](CC(=O)NCC3CC3)O[C@@H](CO)[C@@H]1O2	95901866	JLJMCVQNTFDIRA-VKSDOSABSA-N	360.454	1.663	10	1	FDCF	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(=O)C(=O)CC2=O)N1	587818770	FMWBWPUGDZUZTH-NZFNHWASSA-N	354.175	1.819	10	1	FDCF	
CCOC(=O)[C@@H](Cc1ccccc1)NC(=O)c1nc[nH]c1/N=N/N(C)C	17217862	FUXSWPMIRUNSFI-VIQONRLZSA-N	358.402	1.874	10	1	FDCF	
O=[N+]([O-])C1=CN=C2NC(c3ccco3)=NN2[C@@H]1c1c(O)cc(O)cc1O	1911582092	DAJJIHUYPCVKOJ-ZDUSSCGKSA-N	357.282	1.192	10	1	FDCF	
C[C@]1(CO)COc2c(NC(CO)CO)ccc(C(=O)c3ccccc3)c2N1	27557668	NOHUECNYRUBFHV-FQEVSTJZSA-N	372.421	1.238	10	1	FDCF	
Cc1cc2c(c3oc(CO)cc(=O)c13)C(=O)c1c(O)cc(O)cc1C2=O	238776492	SLXMGMIFQDKJFR-UHFFFAOYSA-N	352.298	1.780	10	1	FDCF	
O=C(NC[C@@H]1OC[C@H](NCc2ccccc2O)[C@H]1O)Nc1ccccc1	2356747943	HZBSTGWVMJYDAF-RYQLBKOJSA-N	357.410	1.432	10	1	FDCF	
COc1ccc(C=CC(=O)NC[C@H](O)c2ccc(O)c(O)c2)cc1OC	2356573134	APFQWDNGFUWSGP-INIZCTEOSA-N	359.378	1.978	10	1	FDCF	
COC(=O)COc1cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc2c1	40835011	QKJFELGSRIDINW-UHFFFAOYSA-N	374.301	1.834	10	1	FDCF	
O=C(OCCOCCO)c1cc(O)c2c(c1)C(=O)c1cccc(O)c1C2=O	84758720	HIGKJUXIOUJULQ-UHFFFAOYSA-N	372.329	1.039	10	1	FDCF	
CC[C@]1(O)Cc2cc3c(c(O)c2[C@@H](O)C1)C(=O)c1c(O)cccc1C3=O	83922599	VEGKEBGNNYINQB-RBZFPXEDSA-N	354.358	1.994	10	1	FDCF	biogenic,in-vitro
Nc1ccc(N2CCN(CCCCn3c(O)c4n(c3=O)CCC4)CC2)cc1	169715243	RWRXAVPXRZEFSU-UHFFFAOYSA-N	371.485	1.486	10	1	FDCF	
C[n+]1c2ccccc2c(N[C@@H](CCCNC(=N)N)C(=O)O)c2ccccc21	17193641	YPSLKHUOUIMZII-HNNXBMFYSA-O	366.445	1.946	10	1	FDCF