smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
O=C(C=Cc1ccc(O)c(O)c1)O[C@@H]1C=C(C(=O)O)O[C@H](C(=O)O)[C@H]1O	2356875443	ZQFOLQKZDARIIB-SWHYSGLUSA-N	366.278	-0.164	10	1	FBCF	
O=C(/C=C\c1ccc(O)c(O)c1)O[C@H]1[C@@H](O)C[C@](O)(C(=O)O)C[C@H]1O	238789282	GYFFKZTYYAFCTR-LFSWGEASSA-N	354.311	-0.646	10	1	FBCF	
CN1CCc2c(Br)cccc2[C@]12C(=O)C(=O)[C@@H](O)C(=O)[C@@H]2O	963270238	NZNBWLNQGBSWHX-XEGUGMAKSA-N	368.183	-0.425	10	1	FBCF	
O=C(O)C[C@@](O)(C(=O)O)[C@H](OC(=O)/C=C\c1ccc(O)c(O)c1)C(=O)O	203950510	OUWOVSUGDPWIBY-XCIQGZDESA-N	370.266	-0.602	10	1	FBCF	
CC[C@@H](C)C(=O)N[C@@H]1[C@@H](N=[N+]=[N-])C=C(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO	299828888	XTMDDYFYETYGAA-ARJQLEMFSA-N	358.351	-0.722	10	1	FBCF	
CCCC/N=N/c1nc(N)c2ncn([C@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1	169729387	QYEDTJTXEXEJIO-MMQRQNATSA-N	351.367	-0.096	10	1	FBCF	
CCOC(=O)Cn1c(=O)c(C)cn([C@@H]2C[C@H](N=[N+]=[N-])[C@H](CO)O2)c1=O	38155787	KNERPDDAHYBWIY-DCAQKATOSA-N	353.335	-0.160	10	1	FBCF	
CC(=O)[C@]1(O)C[C@H](O)[C@H](O)[C@@H](OC(=O)C=Cc2ccc(O)c(O)c2)C1	2356316123	DSDPGYZJNXTMKV-OTRWWLKZSA-N	352.339	-0.142	10	1	FBCF	
O=C(C=Cc1cccc(O)c1O)OC1[C@H](O)CC(O)(C(=O)O)C[C@H]1O	2356517530	MUFNHZJDHKPFLB-FLMBHTGJSA-N	354.311	-0.646	10	1	FBCF	
Cc1cn([C@@H]2C[C@H](N=[N+]=[N-])[C@H](COC(=O)NCCCN)O2)c(=O)[nH]c1=O	38145224	CANSMJWSWLQONU-DCAQKATOSA-N	367.366	-0.114	10	1	FBCF	
CC(=O)NCCO[P@](=O)(O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O	1857561033	DJKPQUBOJQTJLT-JTQLQIEISA-N	362.275	-0.064	10	1	FBCF	
Cc1cn([C@@H]2C[C@@H](N=[N+]=[N-])[C@H](COC(=O)NCCCN)O2)c(=O)[nH]c1=O	38145226	CANSMJWSWLQONU-VWYCJHECSA-N	367.366	-0.114	10	1	FBCF	
Cc1cn([C@@H]2C[C@@H](N=[N+]=[N-])[C@H](COC(=O)OCCO)O2)c(=O)[nH]c1=O	38145234	OBQSREVKBRMDHM-UTLUCORTSA-N	355.307	-0.043	10	1	FBCF	
C[C@@H]1CC(=O)c2c(O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)cccc2C1=O	2356478271	XZGTWOLFKJHYAB-QWGHTVJOSA-N	352.339	-0.730	10	1	FBCF	
C[C@]12CC(=O)[C@]3(O)[C@](O)(CC[C@@]4(O)C(=O)c5c(O)cccc5C(=O)[C@]43O1)C2	100308668	NGVFPCWSVDEXDQ-LFDJNIOPSA-N	374.345	-0.351	10	1	FBCF	in-vitro
Nc1ccc(CNc2ncnc3c2ncn3[C@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1	34056050	PMUVNAUPWLXPSA-GDLHICMESA-N	372.385	-0.368	10	1	FBCF	
O=C(O)C[C@](O)(C(=O)O)[C@@H](OC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)O	15115274	OUWOVSUGDPWIBY-NZIPDGCLSA-N	370.266	-0.602	10	1	FBCF	endogenous,in-man
O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1C[C@@](O)(C(=O)O)C[C@@H](O)[C@H]1O	13783194	CWVRJTMFETXNAD-QEPAVKMUSA-N	354.311	-0.646	10	1	FBCF	
COC(=O)[C@]1(O)C[C@@H](O)[C@@H](O)[C@H](OC(=O)/C=C\c2ccc(O)c(O)c2)C1	71316232	MZNIJRAPCCELQX-IMYOCYDQSA-N	368.338	-0.558	10	1	FBCF	biogenic,in-vitro
Cc1cn(C[C@H]2C[C@H](N=[N+]=[N-])[C@@H](COC(=O)C(=O)O)O2)c(=O)[nH]c1=O	29123641	YDIAFUZPSWPEBQ-HRDYMLBCSA-N	353.291	-0.691	10	1	FBCF	
C[C@H]1CC(=O)c2c(O[C@@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]3O)cccc2C1=O	15044486	XZGTWOLFKJHYAB-VBSWIIMJSA-N	352.339	-0.730	10	1	FBCF	
[N-]=[N+]=NCc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)O)O2)c(=O)[nH]c1=O	169346945	PVTOPGUGKMMMTD-XLPZGREQSA-N	363.223	-0.895	10	1	FBCF	
C[C@@H]1C[C@](O)(C(O)O)C[C@H](O[C@H](O)C=Cc2ccc(O)c(O)c2)[C@H]1O	2356831873	JSKQCNUJAIDKCK-PZZXCFLOSA-N	356.371	-0.353	10	1	FBCF	
CN1CCc2c(Br)cccc2[C@]12C(=O)C(=O)[C@@H](O)C(=O)[C@H]2O	963270240	NZNBWLNQGBSWHX-ZBINZKHDSA-N	368.183	-0.425	10	1	FBCF	
O=C(/C=C\c1ccc(O)c(O)c1)O[C@H]1C[C@](O)(C(=O)O)C[C@H](O)[C@H]1O	147933675	CWVRJTMFETXNAD-KHDXXPDMSA-N	354.311	-0.646	10	1	FBCF	
C[C@@]1(C(=O)O)C[C@H](O)[C@@H](O)[C@H](OC(=O)/C=C/c2ccc(O)c(O)c2)O1	238764482	JYGULFKBNOEBGT-SPIHOIKNSA-N	354.311	-0.034	10	1	FBCF	
COC(=O)[C@@]1(O)C[C@@H](O)[C@@H](O)[C@H](OC(=O)/C=C\c2ccc(O)c(O)c2)C1	71316233	MZNIJRAPCCELQX-ZLLGEJBBSA-N	368.338	-0.558	10	1	FBCF	
[N-]=[N+]=NCC[C@@H](Cn1cnc2c(=O)[nH]c(N)nc21)OCP(=O)(O)O	26654322	MSOSNPINZZQWRC-LURJTMIESA-N	358.255	-0.077	10	1	FBCF	
C[C@]1(Br)C(=O)NC(=O)N([C@H]2C[C@H](O)[C@@H](CO)O2)[C@@H]1N=[N+]=[N-]	6499873	QRPDFPMWHYGCCS-JZISLWQYSA-N	364.156	-0.204	10	1	FBCF	
NC[C@@H](N)CCC(=O)N1CCN(C(=O)c2cc(O)c(O)c(O)c2)CC1	1772610279	OAWURBOKATWTBW-NSHDSACASA-N	352.391	-0.846	10	1	FBCF	
CCO[C@H]1O[C@H](COC(=O)C=Cc2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O	2356581801	KYFCWSSIVXMMDX-SOKJMZBUSA-N	370.354	-0.502	10	1	FBCF	
O=C(C=Cc1cccc(O)c1O)OC1[C@@H](O)CC(O)(C(=O)O)C[C@@H]1O	2356517529	MUFNHZJDHKPFLB-CQPMLWBASA-N	354.311	-0.646	10	1	FBCF	
CCOC(=O)Cn1c(=O)c(C)cn([C@@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)c1=O	29332106	KNERPDDAHYBWIY-AXFHLTTASA-N	353.335	-0.160	10	1	FBCF	
CC[C@@H](O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)[C@@H](OC)c1ccc(O)c(O)c1	2356785941	YDRLBSDBGNWEND-SBUNQNRYSA-N	374.386	-0.620	10	1	FBCF	
COCCOCn1c(=O)c(C)cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)c1=O	13605769	ABDWYVYEQSWHSG-QJPTWQEYSA-N	355.351	-0.102	10	1	FBCF	
O=C(C=Cc1ccc(O)c(O)c1)O[C@@H]1C[C@H](C(=O)O)[C@H](O)[C@@H](O)[C@H]1O	2356391254	UGCJUFITGAQJDV-XFDRWWQRSA-N	354.311	-0.790	10	1	FBCF	
O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@H](CO)O2)cc1/N=N/NCc1ccccc1	17252118	JRUQEYGKZKYIMP-MELADBBJSA-N	361.358	-0.034	10	1	FBCF	
COC(=O)[C@@]1(O)C[C@H](O)[C@H](O)[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C1	34033999	MZNIJRAPCCELQX-LQMUPLJOSA-N	368.338	-0.558	10	1	FBCF	
C[C@]12CC(=O)[C@@]3(O)[C@](O)(CC[C@@]4(O)C(=O)c5c(O)cccc5C(=O)[C@]43O1)C2	100308677	NGVFPCWSVDEXDQ-ZRSRNVLSSA-N	374.345	-0.351	10	1	FBCF	in-vitro
CS(=O)(=O)N1C[C@H]2COCCN2C2(CN(Cc3ccccc3O)C2)C1	2356321081	NOJBLITYHPRMIX-HNNXBMFYSA-N	367.471	-0.077	10	1	FBCF	
C[C@]1(C(=O)O)C[C@H](O)[C@H](O)[C@@H](OC(=O)C=Cc2ccc(O)c(O)c2)O1	2356503504	JYGULFKBNOEBGT-ATVPRXPUSA-N	354.311	-0.034	10	1	FBCF	
C[C@@H]1C[C@](O)(C(O)O)C[C@H](O[C@@H](O)C=Cc2ccc(O)c(O)c2)[C@@H]1O	2356831872	JSKQCNUJAIDKCK-FJJFBGNISA-N	356.371	-0.353	10	1	FBCF	
[N-]=[N+]=NCC(=O)Nc1ccc(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1	473108045	LBXMQTRWWXTLIJ-FYGCWZCISA-N	354.319	-0.886	10	1	FBCF	
O=C(/C=C\c1ccc(O)c(O)c1)OC1(C(=O)O)C[C@H](O)C(O)[C@H](O)C1	13382388	GWTUHAXUUFROTF-UADYKFKPSA-N	354.311	-0.646	10	1	FBCF	endogenous,in-man
COC(=O)[C@]1(O)C[C@H](O)[C@@H](OC(=O)/C=C\c2ccc(O)c(O)c2)[C@@H](O)C1	238779873	SMFKCIHIAHWGGL-HNDXVXCSSA-N	368.338	-0.558	10	1	FBCF	
CN1CCc2c(Br)cccc2[C@]12C(=O)C(=O)[C@H](O)C(=O)[C@@H]2O	963270188	NZNBWLNQGBSWHX-DGFSRKRXSA-N	368.183	-0.425	10	1	FBCF	
C[C@@H]1C[C@](O)(C(O)O)C[C@H](O[C@@H](O)C=Cc2ccc(O)c(O)c2)[C@H]1O	2356831871	JSKQCNUJAIDKCK-DKKXKJPOSA-N	356.371	-0.353	10	1	FBCF	
O=C(/C=C\c1ccc(O)c(O)c1)OC1[C@@H](O)CC(O)(C(=O)O)C[C@H]1O	13382440	GYFFKZTYYAFCTR-UADYKFKPSA-N	354.311	-0.646	10	1	FBCF	biogenic,in-vitro
O=C(/C=C\c1ccc(O)c(O)c1)O[C@@H]1C[C@@](O)(C(=O)O)C[C@H](O)[C@@H]1O	13382395	CWVRJTMFETXNAD-VXVNWTRVSA-N	354.311	-0.646	10	1	FBCF	in-man
COc1cc(O)c2c(c1)C(=O)[C@]1(O)C[C@](C)(O)[C@H](O)[C@H](O)[C@@]1(Cl)C2=O	2356855284	RBPSSDLVHWILDF-CWVYHPPDSA-N	372.757	-0.635	10	1	FBCF	
COc1cc(O)c2c(c1)C(=O)[C@]1(O)C[C@](C)(O)[C@H](O)[C@H](O)[C@]1(Cl)C2=O	2356855287	RBPSSDLVHWILDF-LYYZXLFJSA-N	372.757	-0.635	10	1	FBCF	
COC(=O)[C@]1(O)C[C@H](O)[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@@H](O)C1	238765598	SMFKCIHIAHWGGL-LQMUPLJOSA-N	368.338	-0.558	10	1	FBCF	
CCOC(=O)Cn1c(=O)c(C)cn([C@@H]2C[C@@H](N=[N+]=[N-])[C@H](CO)O2)c1=O	38155789	KNERPDDAHYBWIY-VWYCJHECSA-N	353.335	-0.160	10	1	FBCF	
O=C(/C=C\c1ccc(O)c(O)c1)O[C@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O	27644079	CWVRJTMFETXNAD-GODDMQHGSA-N	354.311	-0.646	10	1	FBCF	
COc1cc2c(cc1OC)C1(C(=O)C(=O)C(=O)C(=O)C1=O)N(C)[C@@H](C)C2	962620050	IHKNAHKXPYPRJK-QMMMGPOBSA-N	359.334	-0.365	10	1	FBCF	
O=C(/C=C/c1ccc(O)c(O)c1O)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O	3804520	AAISQEJQSKDCMA-VIPXRNMVSA-N	370.310	-0.940	10	1	FBCF	
OC[C@@H]1O[C@H](n2cnc3c(NCc4ccccc4O)ncnc32)[C@H](O)[C@@H]1O	13308154	URVCVGNFSZHAOA-VYHVBIQSSA-N	373.369	-0.245	10	3	FBCF	biogenic
O=C(NC[C@@H]1OC[C@@H](NCc2ccccc2O)[C@@H]1O)N1CCOCC1	2356287827	QFZKDNITWDZLIE-KBMXLJTQSA-N	351.403	-0.348	10	1	FBCF	
OC[C@H]1O[C@@H](n2cnc3c(NCc4ccccc4O)ncnc32)[C@@H](O)[C@@H]1O	14414214	URVCVGNFSZHAOA-MBMVNNNZSA-N	373.369	-0.245	10	1	FBCF	
Cc1cn([C@@H]2C[C@@H](N=[N+]=[N-])[C@@H](COC(=O)NCCCN)O2)c(=O)[nH]c1=O	27873733	CANSMJWSWLQONU-MXWKQRLJSA-N	367.366	-0.114	10	1	FBCF	
C[C@@]1(Br)C(=O)NC(=O)N([C@H]2C[C@H](O)[C@@H](CO)O2)[C@H]1N=[N+]=[N-]	6491158	QRPDFPMWHYGCCS-BLICNDNGSA-N	364.156	-0.204	10	1	FBCF	
Cc1cn([C@@H]2C[C@H](N=[N+]=[N-])[C@@H](COC(=O)NCCCN)O2)c(=O)[nH]c1=O	27873749	CANSMJWSWLQONU-AXFHLTTASA-N	367.366	-0.114	10	1	FBCF	
O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1C[C@@](O)(C(=O)O)C[C@H](O)[C@H]1O	2008901	CWVRJTMFETXNAD-DIKPXSMKSA-N	354.311	-0.646	10	1	FBCF	
C[C@]1(Br)C(=O)NC(=O)N([C@H]2C[C@H](O)[C@@H](CO)O2)[C@H]1N=[N+]=[N-]	6499832	QRPDFPMWHYGCCS-DUXGTMBRSA-N	364.156	-0.204	10	1	FBCF	
O=c1[nH]c(=O)n([C@@H]2C[C@@H](O)[C@@H](CO)O2)cc1/N=N\NCc1ccccc1	105520016	JRUQEYGKZKYIMP-MCIONIFRSA-N	361.358	-0.034	10	1	FBCF	
O=C(C=Cc1cccc(O)c1O)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O	2356776275	VSHCNEUOTJPEQW-JDOCFBBISA-N	354.311	-0.646	10	1	FBCF	
O=C(/C=C\c1ccc(O)c(O)c1)O[C@@]1(C(=O)O)C[C@H](O)[C@@H](O)[C@H](O)C1	257430348	GWTUHAXUUFROTF-FAUKZKKZSA-N	354.311	-0.646	10	1	FBCF	endogenous,in-man
CCOC(=O)Cn1c(=O)c(C)cn([C@H]2C[C@H](N=[N+]=[N-])[C@H](CO)O2)c1=O	38155788	KNERPDDAHYBWIY-GARJFASQSA-N	353.335	-0.160	10	1	FBCF	
OC[C@@H]1O[C@H](n2cnc3c(NCc4ccccc4O)ncnc32)[C@@H](O)[C@H]1O	257557647	URVCVGNFSZHAOA-MJFSBKNWSA-N	373.369	-0.245	10	3	FBCF	
C[C@@]1(O)[C@@H](O)[C@H](O)c2c3c(n(C#N)c2[C@H]1O)C(=O)c1c(O)cccc1C3=O	2356585316	LYQUPMZLMDZPGD-BDXSIMOUSA-N	370.317	-0.509	10	1	FBCF	
Cc1cn([C@H]2C[C@@H](N=[N+]=[N-])[C@@H](COC(=O)OCCO)O2)c(=O)[nH]c1=O	26824493	OBQSREVKBRMDHM-OPRDCNLKSA-N	355.307	-0.043	10	1	FBCF	
COCCOCn1c(=O)c(C)cn([C@@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)c1=O	29337752	ABDWYVYEQSWHSG-TUAOUCFPSA-N	355.351	-0.102	10	1	FBCF	
COc1cc(O)c2c(c1)C(=O)[C@]1(O)C[C@](C)(O)[C@H](O)[C@@H](O)[C@]1(Cl)C2=O	2356855285	RBPSSDLVHWILDF-IBEHDNSVSA-N	372.757	-0.635	10	1	FBCF	
C[C@]1(C(=O)O)C[C@H](O)[C@@H](O)[C@H](OC(=O)C=Cc2ccc(O)c(O)c2)O1	2356503503	JYGULFKBNOEBGT-ADSMDIBLSA-N	354.311	-0.034	10	1	FBCF	
COCCOCn1c(=O)c(C)cn([C@@H]2C[C@@H](N=[N+]=[N-])[C@@H](CO)O2)c1=O	29337744	ABDWYVYEQSWHSG-UTUOFQBUSA-N	355.351	-0.102	10	1	FBCF	
Cc1cn([C@@H]2C[C@@H](N=[N+]=[N-])[C@@H](COCP(=O)(O)O)O2)c(=O)[nH]c1=O	26498809	NOEYTKCEXDEMEO-HLTSFMKQSA-N	361.251	-0.037	10	1	FBCF	
CCOC(=O)Cn1c(=O)c(C)cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)c1=O	13605771	KNERPDDAHYBWIY-HBNTYKKESA-N	353.335	-0.160	10	1	FBCF	
O=C(C=Cc1cccc(O)c1O)O[C@@H]1C[C@](O)(C(=O)O)C[C@H](O)[C@H]1O	2356776274	VSHCNEUOTJPEQW-CIGZNWKYSA-N	354.311	-0.646	10	1	FBCF	
CN1CCc2c(Br)cccc2[C@]12C(=O)C(=O)[C@H](O)C(=O)[C@H]2O	963270239	NZNBWLNQGBSWHX-YVLXSGLVSA-N	368.183	-0.425	10	1	FBCF	
O=C1C2=N[C@H](O)C[C@]34C(=O)C[C@@H](O)[C@@H]([C@@H]3O)N3CCc5c[nH]c1c5C3=C24	377839793	KWAPETBXCFPADX-QZSDMHOLSA-N	355.350	-0.994	10	1	FBCF	
Cc1cn([C@@H]2C[C@H](N=[N+]=[N-])[C@H](COC(=O)OCCO)O2)c(=O)[nH]c1=O	38145232	OBQSREVKBRMDHM-GUBZILKMSA-N	355.307	-0.043	10	1	FBCF	
COC(=O)[C@@]1(OC(=O)C=Cc2ccc(O)c(O)c2)C[C@H](O)[C@@H](O)[C@H](O)C1	2356581516	YKLASSTYJKBGIY-LGNWQOKPSA-N	368.338	-0.558	10	1	FBCF	
CCO[C@@H]1O[C@H](COC(=O)/C=C/c2ccc(O)c(O)c2)[C@@H](O)[C@H](O)[C@H]1O	221080383	KYFCWSSIVXMMDX-WOPWHSFLSA-N	370.354	-0.502	10	1	FBCF	
Cn1cccc1CN1CCc2sccc2[C@]12C(=O)C(=O)[C@H](O)C(=O)[C@H]2O	962368330	AHXQKVRGQSQLRT-QBIMZIAESA-N	374.418	-0.217	10	1	FBCF	
C[C@@H]1CC(=O)c2c(O[C@@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)cccc2C1=O	2356478270	XZGTWOLFKJHYAB-JOACHRRVSA-N	352.339	-0.730	10	1	FBCF	
COC(=O)[C@]1(O)C[C@H](O)[C@@H](O)[C@@H](OC(=O)/C=C\c2ccc(O)c(O)c2)C1	14919054	MZNIJRAPCCELQX-FPNQHCLOSA-N	368.338	-0.558	10	1	FBCF	
CC(C)C/N=N/c1nc(N)c2ncn([C@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1	169729396	PBVZMDAZEJRZSC-MMQRQNATSA-N	351.367	-0.240	10	1	FBCF	
Cc1cn([C@@H]2C[C@@H](N=[N+]=[N-])[C@@H](COC(=O)OCCO)O2)c(=O)[nH]c1=O	26824490	OBQSREVKBRMDHM-BBBLOLIVSA-N	355.307	-0.043	10	1	FBCF	
Cc1cn([C@@H]2C[C@H](N=[N+]=[N-])[C@H](COC(=O)NCCCO)O2)c(=O)[nH]c1=O	38145240	ZHGGGOXMBGCQRJ-DCAQKATOSA-N	368.350	-0.080	10	1	FBCF	
Cc1cn([C@@H]2C[C@@H](N=[N+]=[N-])[C@@H](COC(=O)NCCCO)O2)c(=O)[nH]c1=O	27872004	ZHGGGOXMBGCQRJ-MXWKQRLJSA-N	368.350	-0.080	10	1	FBCF	
Cn1cccc1CN1CCc2sccc2[C@]12C(=O)C(=O)[C@H](O)C(=O)[C@@H]2O	962368333	AHXQKVRGQSQLRT-SKDZVZGDSA-N	374.418	-0.217	10	1	FBCF	
CC(=O)N[C@@H](CO[P@](=O)(O)NCCc1ccc(O)c(O)c1)C(=O)O	1857583564	AAPQQGOZVORCAQ-JTQLQIEISA-N	362.275	-0.064	10	1	FBCF	
COC(=O)[C@@]1(O)C[C@@H](O)[C@@H](O)[C@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C1	71318465	MZNIJRAPCCELQX-VLKXGFHNSA-N	368.338	-0.558	10	1	FBCF	
COC(=O)[C@@]1(O)C[C@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H](O)[C@H](O)C1	12153658	MZNIJRAPCCELQX-ZMUDTCSXSA-N	368.338	-0.558	10	1	FBCF	
O=C(C=Cc1cccc(O)c1O)O[C@@H]1[C@@H](O)C[C@](O)(C(=O)O)C[C@H]1O	2356517531	MUFNHZJDHKPFLB-IXJZLCKZSA-N	354.311	-0.646	10	1	FBCF	
COc1cc2c(cc1OC)C1(C(=O)C(=O)C(=O)C(=O)C1=O)N(C)[C@H](C)C2	962620047	IHKNAHKXPYPRJK-MRVPVSSYSA-N	359.334	-0.365	10	1	FBCF	
CO[C@H]1O[C@H](COC(=O)C=Cc2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O	2356517802	VFMDFTQFGNDIQZ-GAUGTXIDSA-N	356.327	-0.892	10	1	FBCF	
C[C@@]12CC(=O)[C@]3(O)[C@](O)(CC[C@@]4(O)C(=O)c5c(O)cccc5C(=O)[C@]43O1)C2	100308673	NGVFPCWSVDEXDQ-OYSTVDSJSA-N	374.345	-0.351	10	1	FBCF	in-vitro
Cc1cn([C@@H]2C[C@@H](N=[N+]=[N-])[C@H](COC(=O)NCCCO)O2)c(=O)[nH]c1=O	38145242	ZHGGGOXMBGCQRJ-VWYCJHECSA-N	368.350	-0.080	10	1	FBCF	
Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](COC(=O)OCCO)O2)c(=O)[nH]c1=O	26824503	OBQSREVKBRMDHM-IVZWLZJFSA-N	355.307	-0.043	10	1	FBCF	
O=C(C=Cc1ccc(O)c(O)c1)O[C@@H]1C=C(C(=O)O)O[C@H](C(=O)O)[C@@H]1O	2356875441	ZQFOLQKZDARIIB-HONMWMINSA-N	366.278	-0.164	10	1	FBCF	
C[C@H]1CC(=O)c2c(O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)cccc2C1=O	2356478269	XZGTWOLFKJHYAB-HLHCAWTGSA-N	352.339	-0.730	10	1	FBCF	
COc1cc(O)c2c(c1)C(=O)[C@]1(O)C[C@](C)(O)[C@H](O)[C@@H](O)[C@@]1(Cl)C2=O	2356855286	RBPSSDLVHWILDF-LJIZCISZSA-N	372.757	-0.635	10	1	FBCF	
C/C=C(\C)C(=O)N[C@@H]1[C@@H](N=[N+]=[N-])C=C(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO	299827631	PSWPAKBJZNVYLZ-ZOVCJYGXSA-N	356.335	-0.802	10	1	FBCF	
O=C(/C=C\c1ccc(O)c(O)c1)O[C@H]1C[C@@](O)(C(=O)O)C[C@H](O)[C@@H]1O	13382396	CWVRJTMFETXNAD-MSZAEJNKSA-N	354.311	-0.646	10	1	FBCF	in-man
OC[C@H]1O[C@H](n2cnc3c(NCc4ccccc4O)ncnc32)[C@@H](O)[C@@H]1O	14414217	URVCVGNFSZHAOA-CVGURMSBSA-N	373.369	-0.245	10	1	FBCF	
C[C@]1(O)[C@H](O)c2c(c3c(n2C#N)C(=O)c2c(O)cccc2C3=O)[C@H](O)[C@H]1O	2356585317	LYQUPMZLMDZPGD-MLHJIOFPSA-N	370.317	-0.509	10	1	FBCF	
Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](COC(=O)NCCCO)O2)c(=O)[nH]c1=O	27872024	ZHGGGOXMBGCQRJ-HBNTYKKESA-N	368.350	-0.080	10	1	FBCF	
CC[C@H](O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)[C@@H](OC)c1ccc(O)c(O)c1	2356785940	YDRLBSDBGNWEND-JUTUNNCASA-N	374.386	-0.620	10	1	FBCF	
O=C(O)C[C@](O)(C(=O)O)[C@H](OC(=O)C=Cc1ccc(O)c(O)c1)C(=O)O	2356468031	OUWOVSUGDPWIBY-IUODEOHRSA-N	370.266	-0.602	10	1	FBCF	
COCCOCn1c(=O)c(C)cn([C@H]2C[C@@H](N=[N+]=[N-])[C@@H](CO)O2)c1=O	29337748	ABDWYVYEQSWHSG-IJLUTSLNSA-N	355.351	-0.102	10	1	FBCF	
CC(C)C/N=N/c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1	169729395	PBVZMDAZEJRZSC-YDVJXAANSA-N	351.367	-0.240	10	1	FBCF	
CC[C@H](O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)[C@H](OC)c1ccc(O)c(O)c1	2356785938	YDRLBSDBGNWEND-BHLQKMAXSA-N	374.386	-0.620	10	1	FBCF	
O=C(NCCO)[C@H]1c2c(O)cccc2-n2c(=O)c3ccccc3c(=O)n21	473113881	KOEAAYQXVCMFSM-OAHLLOKOSA-N	353.334	-0.131	10	1	FBCF	
O=C(O)C[C@@](O)(C(=O)O)[C@@H](OC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)O	15115276	OUWOVSUGDPWIBY-PCFFYYQISA-N	370.266	-0.602	10	1	FBCF	endogenous,in-man
C[C@]12CC(=O)[C@@]3(O)[C@](O)(CC[C@@]4(O)C(=O)c5c(O)cccc5C(=O)[C@@]43O1)C2	53622049	NGVFPCWSVDEXDQ-RHQZKXFESA-N	374.345	-0.351	10	1	FBCF	biogenic,in-vitro
Cc1cn([C@H]2C[C@@H](N=[N+]=[N-])[C@@H](COCP(=O)(O)O)O2)c(=O)[nH]c1=O	22199196	NOEYTKCEXDEMEO-IWSPIJDZSA-N	361.251	-0.037	10	1	FBCF	
O=C(NC[C@@H]1OC[C@H](NCc2ccccc2O)[C@@H]1O)N1CCOCC1	2356287825	QFZKDNITWDZLIE-BPUTZDHNSA-N	351.403	-0.348	10	1	FBCF	
COC(=O)[C@]1(OC(=O)/C=C\c2ccc(O)c(O)c2)C[C@@H](O)[C@@H](O)[C@H](O)C1	238751425	YKLASSTYJKBGIY-IMYOCYDQSA-N	368.338	-0.558	10	1	FBCF	
CCOC(=O)Cn1c(=O)c(C)cn([C@H]2C[C@@H](N=[N+]=[N-])[C@@H](CO)O2)c1=O	29332101	KNERPDDAHYBWIY-GMTAPVOTSA-N	353.335	-0.160	10	1	FBCF	
C[C@H]1CC(=O)c2c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cccc2C1=O	238747772	XZGTWOLFKJHYAB-WVSKRKQGSA-N	352.339	-0.730	10	1	FBCF	
OC[C@@H]1O[C@@H](n2cnc3c(NCc4ccccc4O)ncnc32)[C@@H](O)[C@@H]1O	13308161	URVCVGNFSZHAOA-XZBIERFOSA-N	373.369	-0.245	10	1	FBCF	
COC(=O)C1(O)C[C@H](O)C(OC(=O)C=Cc2ccc(O)c(O)c2)[C@@H](O)C1	2356444349	SMFKCIHIAHWGGL-CFUBCSQMSA-N	368.338	-0.558	10	1	FBCF	
O=C(O)C[C@@](O)(C(=O)O)[C@H](OC(=O)C=Cc1ccc(O)c(O)c1)C(=O)O	2356468030	OUWOVSUGDPWIBY-DOMZBBRYSA-N	370.266	-0.602	10	1	FBCF	
CO[C@@H]1O[C@H](COC(=O)C=Cc2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O	2356517803	VFMDFTQFGNDIQZ-MBEZOWKRSA-N	356.327	-0.892	10	1	FBCF	
COCCOCn1c(=O)c(C)cn([C@@H]2C[C@@H](N=[N+]=[N-])[C@H](CO)O2)c1=O	38155809	ABDWYVYEQSWHSG-WOPDTQHZSA-N	355.351	-0.102	10	1	FBCF	
COCCOCn1c(=O)c(C)cn([C@H]2C[C@H](N=[N+]=[N-])[C@H](CO)O2)c1=O	38155808	ABDWYVYEQSWHSG-SDDRHHMPSA-N	355.351	-0.102	10	1	FBCF	
OC[C@@H]1O[C@H](n2cnc3c(NCc4ccccc4O)ncnc32)[C@H](O)[C@H]1O	257557646	URVCVGNFSZHAOA-DPYKFYPSSA-N	373.369	-0.245	10	3	FBCF	
O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@H](C(=O)O)[C@@H](O)[C@@H](O)[C@H]1O	238783343	UGCJUFITGAQJDV-URKPCADRSA-N	354.311	-0.790	10	1	FBCF	
C[C@]1(C(=O)O)C[C@H](O)[C@H](O)[C@H](OC(=O)C=Cc2ccc(O)c(O)c2)O1	2356503505	JYGULFKBNOEBGT-YYWXWVFPSA-N	354.311	-0.034	10	1	FBCF	
Cn1cccc1CN1CCc2sccc2[C@]12C(=O)C(=O)[C@@H](O)C(=O)[C@@H]2O	962368324	AHXQKVRGQSQLRT-OWQGQXMQSA-N	374.418	-0.217	10	1	FBCF	
O=c1[nH]c(=O)n([C@@H]2C[C@H](O)[C@H](CO)O2)cc1/N=N/NCc1ccccc1	6574886	JRUQEYGKZKYIMP-IHRRRGAJSA-N	361.358	-0.034	10	1	FBCF	
[N-]=[N+]=N[C@H]1C=C(C(=O)O)O[C@@H]([C@H](O)[C@H](O)CO)[C@@H]1NC(=O)C1CCC1	299828870	XLWGXABYTLDDLR-RULNCXCMSA-N	356.335	-0.968	10	1	FBCF	
O=C(/C=C/c1cccc(O)c1O)O[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1O	238756308	MUFNHZJDHKPFLB-XTQGACGMSA-N	354.311	-0.646	10	1	FBCF	
O=C(CCc1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O	13760870	RLGFSACCIOSKQS-NCZKRNLISA-N	356.327	-0.727	10	1	FBCF	
CC(C)=CCc1cc(O)c(O)c(O[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)c1	2356540632	FIMKHSBSARDIIL-LMLQULGWSA-N	356.371	-0.215	10	1	FBCF	
[N-]=[N+]=N[C@]1(CO)O[C@@H](n2ccc(N3CCOCC3)nc2=O)[C@@H](F)[C@@H]1O	149797814	MGBUSBKFYAJTHR-MEWQQHAOSA-N	356.314	-0.693	10	1	FBCF	
CCOC(=O)Cn1c(=O)c(C)cn([C@@H]2C[C@@H](N=[N+]=[N-])[C@@H](CO)O2)c1=O	29332096	KNERPDDAHYBWIY-MXWKQRLJSA-N	353.335	-0.160	10	1	FBCF	
CC[C@@H](O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)[C@H](OC)c1ccc(O)c(O)c1	2356785939	YDRLBSDBGNWEND-BHZVOMLSSA-N	374.386	-0.620	10	1	FBCF	
Cn1cccc1CN1CCc2sccc2[C@]12C(=O)C(=O)[C@@H](O)C(=O)[C@H]2O	962368336	AHXQKVRGQSQLRT-XCRHUMRWSA-N	374.418	-0.217	10	1	FBCF	
O=C(/C=C\c1ccc(O)c(O)c1)OC1(C(=O)O)C[C@@H](O)C(O)[C@H](O)C1	13382386	GWTUHAXUUFROTF-UEIZPBJQSA-N	354.311	-0.646	10	1	FBCF	endogenous,in-man
O=C(/C=C\c1ccc(O)c(O)c1)O[C@H]1[C@@H](O)C[C@](O)(C(=O)O)C[C@@H]1O	238787495	GYFFKZTYYAFCTR-MSZAEJNKSA-N	354.311	-0.646	10	1	FBCF	
C[C@@]1(O)[C@H](O)c2c(c3c(n2C#N)C(=O)c2c(O)cccc2C3=O)[C@H](O)[C@H]1O	34226670	LYQUPMZLMDZPGD-BSDSXHPESA-N	370.317	-0.509	10	1	FBCF	
CC[C@H](C)C(=O)N[C@@H]1[C@@H](N=[N+]=[N-])C=C(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO	299828900	XTMDDYFYETYGAA-LHOWKPSISA-N	358.351	-0.722	10	1	FBCF	
O=c1[nH]c(=O)n([C@@H]2C[C@@H](O)[C@H](CO)O2)cc1/N=N/NCc1ccccc1	5955984	JRUQEYGKZKYIMP-RDBSUJKOSA-N	361.358	-0.034	10	1	FBCF	
Cc1cn([C@@H]2C[C@H](N=[N+]=[N-])[C@@H](COC(=O)OCCO)O2)c(=O)[nH]c1=O	26824498	OBQSREVKBRMDHM-AEJSXWLSSA-N	355.307	-0.043	10	1	FBCF	
Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](COCP(=O)(O)O)O2)c(=O)[nH]c1=O	22199200	NOEYTKCEXDEMEO-DJLDLDEBSA-N	361.251	-0.037	10	1	FBCF	
O=C(C=Cc1ccc(O)c(O)c1)O[C@@H]1C[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]1O	2356391251	UGCJUFITGAQJDV-QNBYZYIZSA-N	354.311	-0.790	10	1	FBCF	
Cc1cn([C@H]2C[C@@H](N=[N+]=[N-])[C@@H](COC(=O)NCCCN)O2)c(=O)[nH]c1=O	27873741	CANSMJWSWLQONU-GMTAPVOTSA-N	367.366	-0.114	10	1	FBCF	
C[C@@]12CC(=O)[C@@]3(O)[C@](O)(CC[C@@]4(O)C(=O)c5c(O)cccc5C(=O)[C@]43O1)C2	100308682	NGVFPCWSVDEXDQ-QTMHVTGLSA-N	374.345	-0.351	10	1	FBCF	in-vitro
COC(=O)[C@@]1(O)C[C@@H](O)[C@H](O)[C@H](OC(=O)/C=C\c2ccc(O)c(O)c2)C1	13382448	MZNIJRAPCCELQX-SYYFFVMBSA-N	368.338	-0.558	10	1	FBCF	
O=C(O)C[C@](O)(C(=O)O)[C@H](OC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)O	15115278	OUWOVSUGDPWIBY-NKZHAWSJSA-N	370.266	-0.602	10	1	FBCF	endogenous,in-man
C[C@]1(CC(=O)Oc2ccc(N)cc2)[C@H](C(=O)O)N2C(=O)C[C@H]2S1(=O)=O	169321112	ZIKKQRQVGZWXFG-ZLDLUXBVSA-N	368.367	-0.237	10	1	FBCF	
C[C@@H]1C[C@](O)(C(O)O)C[C@H](O[C@H](O)C=Cc2ccc(O)c(O)c2)[C@@H]1O	2356831874	JSKQCNUJAIDKCK-RQXDPKGWSA-N	356.371	-0.353	10	1	FBCF	
C[C@@]1(Br)C(=O)NC(=O)N([C@H]2C[C@H](O)[C@@H](CO)O2)[C@@H]1N=[N+]=[N-]	6491185	QRPDFPMWHYGCCS-BHBZPANOSA-N	364.156	-0.204	10	1	FBCF	
O=C(C=Cc1cccc(O)c1O)O[C@@H]1C[C@](O)(C(=O)O)C[C@H](O)[C@@H]1O	2356776277	VSHCNEUOTJPEQW-VAECKANCSA-N	354.311	-0.646	10	1	FBCF	
C[C@]1(CC(=O)Oc2ccc(N)cc2)[C@H](C(=O)O)N2C(=O)C[C@@H]2S1(=O)=O	169321111	ZIKKQRQVGZWXFG-WHOFXGATSA-N	368.367	-0.237	10	1	FBCF	
COC(=O)[C@]1(O)C[C@@H](O)[C@@H](OC(=O)/C=C\c2ccc(O)c(O)c2)[C@H](O)C1	238748954	SMFKCIHIAHWGGL-IMYOCYDQSA-N	368.338	-0.558	10	1	FBCF	
O=C(O)C[C@@](O)(C(=O)O)[C@H](OC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)O	15115280	OUWOVSUGDPWIBY-GRYLXXLRSA-N	370.266	-0.602	10	1	FBCF	endogenous,in-man
O=C(C=Cc1ccc(O)c(O)c1)O[C@@H]1C=C(C(=O)O)O[C@@H](C(=O)O)[C@H]1O	2356875440	ZQFOLQKZDARIIB-DDTOSNHZSA-N	366.278	-0.164	10	1	FBCF	
OC[C@@H]1O[C@H](n2cnc3c(NCc4ccccc4O)ncnc32)[C@@H](O)[C@@H]1O	13308158	URVCVGNFSZHAOA-SYEQVDHESA-N	373.369	-0.245	10	3	FBCF	biogenic
CC(=O)[C@]1(O)C[C@H](O)[C@@H](O)[C@@H](OC(=O)C=Cc2ccc(O)c(O)c2)C1	2356316121	DSDPGYZJNXTMKV-DIECFANBSA-N	352.339	-0.142	10	1	FBCF	
O=C(C=Cc1ccc(O)c(O)c1)O[C@@H]1C[C@H](C(=O)O)[C@H](O)[C@H](O)[C@@H]1O	2356391247	UGCJUFITGAQJDV-GAJDDIJOSA-N	354.311	-0.790	10	1	FBCF	
O=C(NC[C@@H]1OC[C@H](NCc2ccccc2O)[C@H]1O)N1CCOCC1	2356287826	QFZKDNITWDZLIE-CWRNSKLLSA-N	351.403	-0.348	10	1	FBCF	
O=C(NC[C@@H]1OC[C@@H](NCc2ccccc2O)[C@H]1O)N1CCOCC1	2356287828	QFZKDNITWDZLIE-VNQPRFMTSA-N	351.403	-0.348	10	1	FBCF	
O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@@](O)(C(=O)O)C[C@@H](O)[C@H]1O	4102407	CWVRJTMFETXNAD-QHEBTOHLSA-N	354.311	-0.646	10	1	FBCF	endogenous,in-man
CCCC/N=N/c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1	169729386	QYEDTJTXEXEJIO-YDVJXAANSA-N	351.367	-0.096	10	1	FBCF	
O=C(NCCO)[C@@H]1c2c(O)cccc2-n2c(=O)c3ccccc3c(=O)n21	473113873	KOEAAYQXVCMFSM-HNNXBMFYSA-N	353.334	-0.131	10	1	FBCF	
O=C(/C=C\c1ccc(O)c(O)c1)O[C@@H]1C[C@@](O)(C(=O)O)C[C@H](O)[C@H]1O	14918974	CWVRJTMFETXNAD-XCNHOTNOSA-N	354.311	-0.646	10	1	FBCF	endogenous,in-man
CC(C)=CCc1cc(O)c(O)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1	238766495	FIMKHSBSARDIIL-USACIQFYSA-N	356.371	-0.215	10	1	FBCF	
COCCOCn1c(=O)c(C)cn([C@@H]2C[C@H](N=[N+]=[N-])[C@H](CO)O2)c1=O	38155807	ABDWYVYEQSWHSG-SRVKXCTJSA-N	355.351	-0.102	10	1	FBCF	
Cc1cn([C@@H]2C[C@H](N=[N+]=[N-])[C@@H](COC(=O)NCCCO)O2)c(=O)[nH]c1=O	27872017	ZHGGGOXMBGCQRJ-AXFHLTTASA-N	368.350	-0.080	10	1	FBCF	
O=C(/C=C\c1ccc(O)c(O)c1)OC1(C(=O)O)C[C@H](O)C(O)[C@@H](O)C1	13382387	GWTUHAXUUFROTF-RSSLBQSBSA-N	354.311	-0.646	10	1	FBCF	endogenous,in-man
O=C(O)C[C@](O)(C(=O)O)[C@@H](OC(=O)C=Cc1ccc(O)c(O)c1)C(=O)O	2356468032	OUWOVSUGDPWIBY-SWLSCSKDSA-N	370.266	-0.602	10	1	FBCF	
COC(=O)[C@@]1(O)C[C@H](O)[C@@H](O)[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C1	12153659	MZNIJRAPCCELQX-WFBPZDKWSA-N	368.338	-0.558	10	1	FBCF	
O=C(C=Cc1ccc(O)c(O)c1)O[C@@H]1C[C@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]1O	2356391249	UGCJUFITGAQJDV-NXXNKSDHSA-N	354.311	-0.790	10	1	FBCF	
O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@@](O)(C(=O)O)C[C@H](O)[C@H]1O	12153524	CWVRJTMFETXNAD-BBDSCLQGSA-N	354.311	-0.646	10	1	FBCF	endogenous,in-man
O=C(/C=C/c1ccc(O)c(O)c1)OC1[C@@H](O)CC(O)(C(=O)O)C[C@H]1O	33830037	GYFFKZTYYAFCTR-BKRVHWFXSA-N	354.311	-0.646	10	1	FBCF	biogenic,in-vitro
CC(=O)[C@]1(O)C[C@H](O)[C@@H](O)[C@H](OC(=O)C=Cc2ccc(O)c(O)c2)C1	2356316120	DSDPGYZJNXTMKV-ABFRBSLYSA-N	352.339	-0.142	10	1	FBCF	
COC(=O)C1(OC(=O)C=Cc2ccc(O)c(O)c2)C[C@@H](O)C(O)[C@H](O)C1	2356581517	YKLASSTYJKBGIY-MZPXATCKSA-N	368.338	-0.558	10	1	FBCF	
COC(=O)C1(OC(=O)C=Cc2ccc(O)c(O)c2)C[C@H](O)C(O)[C@@H](O)C1	2356581515	YKLASSTYJKBGIY-CFUBCSQMSA-N	368.338	-0.558	10	1	FBCF	
CCO[C@@H]1O[C@H](COC(=O)C=Cc2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O	2356581800	KYFCWSSIVXMMDX-LMLQULGWSA-N	370.354	-0.502	10	1	FBCF	
NC[C@H](N)CCC(=O)N1CCN(C(=O)c2cc(O)c(O)c(O)c2)CC1	1772610273	OAWURBOKATWTBW-LLVKDONJSA-N	352.391	-0.846	10	1	FBCF	
COC(=O)[C@@]1(O)C[C@H](O)[C@@H](OC(=O)C=Cc2ccc(O)c(O)c2)[C@H](O)C1	2356444350	SMFKCIHIAHWGGL-LGNWQOKPSA-N	368.338	-0.558	10	1	FBCF	
CC(C)=CCc1cc(O)c(O)c(O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)c1	2356540633	FIMKHSBSARDIIL-SOKJMZBUSA-N	356.371	-0.215	10	1	FBCF	
C[C@H]1CC(=O)c2c(O[C@@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)cccc2C1=O	2356478272	XZGTWOLFKJHYAB-ZYYQFIQSSA-N	352.339	-0.730	10	1	FBCF	
COC(=O)[C@@]1(O)C[C@H](O)[C@H](O)[C@@H](OC(=O)/C=C\c2ccc(O)c(O)c2)C1	221614269	MZNIJRAPCCELQX-HNDXVXCSSA-N	368.338	-0.558	10	1	FBCF	
O=C(C=Cc1ccc(O)c(O)c1)O[C@@H]1C=C(C(=O)O)O[C@@H](C(=O)O)[C@@H]1O	2356875442	ZQFOLQKZDARIIB-LERXQTSPSA-N	366.278	-0.164	10	1	FBCF	
COC(=O)[C@]1(O)C[C@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H](O)[C@H](O)C1	12153657	MZNIJRAPCCELQX-LVYNVZQZSA-N	368.338	-0.558	10	1	FBCF	
Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](COC(=O)NCCCN)O2)c(=O)[nH]c1=O	27873757	CANSMJWSWLQONU-HBNTYKKESA-N	367.366	-0.114	10	1	FBCF	
CC(=O)[C@]1(O)C[C@H](O)[C@H](O)[C@H](OC(=O)C=Cc2ccc(O)c(O)c2)C1	2356316122	DSDPGYZJNXTMKV-FSDCSDTHSA-N	352.339	-0.142	10	1	FBCF	
C[C@@H]1O[C@@H](Oc2cc3c(O)c(O)c(O)c(O)c3cc2O)[C@H](O)[C@H](O)[C@H]1O	238732001	WXDRKTLAXFEDPC-GIORJIOHSA-N	370.310	-0.426	10	1	FBCF	
O=C(C=Cc1cccc(O)c1O)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@@H]1O	2356776279	VSHCNEUOTJPEQW-XYJYNPGVSA-N	354.311	-0.646	10	1	FBCF	
O=C(O)C[C@@](O)(C(=O)O)[C@@H](OC(=O)C=Cc1ccc(O)c(O)c1)C(=O)O	2356468033	OUWOVSUGDPWIBY-WFASDCNBSA-N	370.266	-0.602	10	1	FBCF	
C[C@]1(C(=O)O)C[C@H](O)[C@@H](O)[C@@H](OC(=O)C=Cc2ccc(O)c(O)c2)O1	2356503506	JYGULFKBNOEBGT-ZGMNHVEMSA-N	354.311	-0.034	10	1	FBCF	
CCOC(=O)Cn1c(=O)c(C)cn([C@H]2C[C@@H](N=[N+]=[N-])[C@H](CO)O2)c1=O	38155790	KNERPDDAHYBWIY-OUAUKWLOSA-N	353.335	-0.160	10	1	FBCF	
CC(=O)[C@]1(O)C[C@@H](O)[C@@H](O)[C@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C1	84154079	DSDPGYZJNXTMKV-VXODUTGSSA-N	352.339	-0.142	10	1	FBCF	biogenic,in-vitro
Cc1cn([C@H]2C[C@@H](N=[N+]=[N-])[C@@H](COC(=O)NCCCO)O2)c(=O)[nH]c1=O	27872010	ZHGGGOXMBGCQRJ-GMTAPVOTSA-N	368.350	-0.080	10	1	FBCF	
COCCOCn1c(=O)c(C)cn([C@H]2C[C@@H](N=[N+]=[N-])[C@H](CO)O2)c1=O	38155810	ABDWYVYEQSWHSG-GRYCIOLGSA-N	355.351	-0.102	10	1	FBCF	
O=C(/C=C/c1cccc(O)c1O)O[C@@H]1C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]1O	59585807	VSHCNEUOTJPEQW-XVJOCAAMSA-N	354.311	-0.646	10	1	FBCF	biogenic,in-vitro
COC(=O)[C@]1(OC(=O)/C=C/c2ccc(O)c(O)c2)C[C@@H](O)[C@@H](O)[C@H](O)C1	238751325	YKLASSTYJKBGIY-AWOKGZDASA-N	368.338	-0.558	10	1	FBCF	
C[C@]1(O)[C@H](O)c2c(c3c(n2C#N)C(=O)c2c(O)cccc2C3=O)[C@@H](O)[C@H]1O	2356585318	LYQUPMZLMDZPGD-TVFCKZIOSA-N	370.317	-0.509	10	1	FBCF	
COC(=O)C1(O)C[C@@H](O)C(OC(=O)C=Cc2ccc(O)c(O)c2)[C@H](O)C1	2356444351	SMFKCIHIAHWGGL-MZPXATCKSA-N	368.338	-0.558	10	1	FBCF	
O=c1[nH]c(=O)n([C@@H]2C[C@H](O)[C@@H](CO)O2)cc1/N=N/NCc1ccccc1	195459864	JRUQEYGKZKYIMP-MJBXVCDLSA-N	361.358	-0.034	10	1	FBCF	
O=C(O)C[C@@H](C(=O)O)[C@H]1c2c(cc(O)c(O)c2O)C(=O)O[C@H]1C(=O)O	13385488	COZMWVAACFYLBI-BVXMQXLRSA-N	356.239	-0.314	10	1	FBCF	endogenous,in-man
O=C(/C=C\c1ccc(O)c(O)c1)O[C@H]1C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]1O	85645585	CWVRJTMFETXNAD-TZZYZSCZSA-N	354.311	-0.646	10	1	FBCF	biogenic,in-vitro