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	ZINC000001599733	39/75/85/483397585	CWVRJTMFETXNAD-JURSRTDWSA-N	-1	354.311	FB	-0.646	0	Clean	ref	FBCARM	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	in-man endogenous
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	ZINC000002138728	39/85/68/483398568	CWVRJTMFETXNAD-JUHZACGLSA-N	-1	354.311	FB	-0.646	0	Clean	ref	FBCARM	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	investigational endogenous
C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(SC3Cn4cnc[n+]4C3)[C@H](C)[C@H]12	ZINC000003784073	11/05/77/204110577	MRMBZHPJVKCOMA-YJFSRANCSA-O	0	351.408	FB	-0.56	0	Anodyne	ref	FBAARN	C[C@@H](O)[C@H]1C(=O)N2C(C(=O)[O-])=C(SC3Cn4cnc[n+]4C3)[C@H](C)[C@H]12	investigational
CC(=O)OC[C@H]1O[C@@H](S)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000003860849	11/16/77/204111677	SFOZKJGZNOBSHF-RGDJUOJXSA-N	-1	364.372	FB	-0.001	3	Mild	high	FBEAHM	CC(=O)OC[C@H]1O[C@@H]([S-])[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	in-vitro
CC(=O)OC[C@H]1O[C@@H](S)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000003860849	11/16/72/204111672	SFOZKJGZNOBSHF-RGDJUOJXSA-N	0	364.372	FB	-0.001	0	Mild	ref	FBEARN	CC(=O)OC[C@H]1O[C@@H](S)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	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	ZINC000003947475	40/88/77/483408877	CWVRJTMFETXNAD-FWCWNIRPSA-N	-1	354.311	FB	-0.646	0	Clean	ref	FBCARM	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	in-man endogenous
CC1=C[C@H]2[C@]3(O)[C@@H](C=C(CO)C[C@]2(O)C1=O)[C@@H]1C(C)(C)[C@]1(O)[C@H](O)[C@H]3C	ZINC000004097928	14/72/87/484147287	QGVLYPPODPLXMB-UBTYZVCOSA-N	0	364.438	FB	-0.07	0	Mild	ref	FBEARN	CC1=C[C@H]2[C@]3(O)[C@@H](C=C(CO)C[C@]2(O)C1=O)[C@@H]1C(C)(C)[C@]1(O)[C@H](O)[C@H]3C	in-vitro biogenic
C[C@H](O)[C@@H]1C(=O)N2C(C(=O)O)=C(SC3Cn4cnc[n+]4C3)[C@H](C)[C@@H]12	ZINC000011615955	89/35/03/483893503	MRMBZHPJVKCOMA-IFFSRLJSSA-O	0	351.408	FB	-0.56	0	Anodyne	ref	FBABRN	C[C@H](O)[C@@H]1C(=O)N2C(C(=O)[O-])=C(SC3Cn4cnc[n+]4C3)[C@H](C)[C@@H]12	 
C[C@H](O)[C@@H]1C(=O)N2C(C(=O)O)=C(SC3Cn4cnc[n+]4C3)[C@H](C)[C@H]12	ZINC000095845640	97/25/90/221972590	MRMBZHPJVKCOMA-YKDSUIRESA-O	0	351.408	FB	-0.56	0	Anodyne	ref	FBABRN	C[C@H](O)[C@@H]1C(=O)N2C(C(=O)[O-])=C(SC3Cn4cnc[n+]4C3)[C@H](C)[C@H]12	 
CC(=O)OC[C@@H]1O[C@H](S)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000096306260	31/14/36/571311436	SFOZKJGZNOBSHF-ODXJTPSBSA-N	-1	364.372	FB	-0.001	3	Mild	high	FBEAHM	CC(=O)OC[C@@H]1O[C@H]([S-])[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O	in-vitro
CC(=O)OC[C@@H]1O[C@H](S)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000096306260	31/14/35/571311435	SFOZKJGZNOBSHF-ODXJTPSBSA-N	0	364.372	FB	-0.001	0	Mild	ref	FBEARN	CC(=O)OC[C@@H]1O[C@H](S)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O	in-vitro
CC(=O)OC[C@@H]1O[C@H](S)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000108476273	53/62/47/484536247	SFOZKJGZNOBSHF-RYMFRWLXSA-N	-1	364.372	FB	-0.001	3	Mild	high	FBEAHM	CC(=O)OC[C@@H]1O[C@H]([S-])[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O	in-vitro
CC(=O)OC[C@@H]1O[C@H](S)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000108476273	53/62/35/484536235	SFOZKJGZNOBSHF-RYMFRWLXSA-N	0	364.372	FB	-0.001	0	Mild	ref	FBEARN	CC(=O)OC[C@@H]1O[C@H](S)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O	in-vitro
CC(=O)OC[C@@H]1O[C@H](S)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000146792995	40/99/64/484409964	SFOZKJGZNOBSHF-MEBFFEOJSA-N	-1	364.372	FB	-0.001	3	Mild	high	FBEAHM	CC(=O)OC[C@@H]1O[C@H]([S-])[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	in-vitro
CC(=O)OC[C@@H]1O[C@H](S)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000146792995	40/99/55/484409955	SFOZKJGZNOBSHF-MEBFFEOJSA-N	0	364.372	FB	-0.001	0	Mild	ref	FBEARN	CC(=O)OC[C@@H]1O[C@H](S)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	in-vitro
C[C@@H]1C(SC2Cn3cnc[n+]3C2)=C(C(=O)O)N2C(=O)[C@@H]([C@H](C)O)[C@@H]12	ZINC000253380241	56/06/28/484560628	MRMBZHPJVKCOMA-MPKXCIJOSA-O	0	351.408	FB	-0.56	0	Anodyne	ref	FBABRN	C[C@@H]1C(SC2Cn3cnc[n+]3C2)=C(C(=O)[O-])N2C(=O)[C@@H]([C@H](C)O)[C@@H]12	 
C[C@H](O)[C@@H]1C(=O)N2C(C(=O)O)=C(SC3Cn4cnc[n+]4C3)[C@@H](C)[C@@H]12	ZINC000253380242	56/06/16/484560616	MRMBZHPJVKCOMA-UUTMEEIUSA-O	0	351.408	FB	-0.56	0	Anodyne	ref	FBABRN	C[C@H](O)[C@@H]1C(=O)N2C(C(=O)[O-])=C(SC3Cn4cnc[n+]4C3)[C@@H](C)[C@@H]12	 
CC(=O)OC[C@@H]1O[C@H](S)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000254486048	75/64/81/519756481	SFOZKJGZNOBSHF-QSLWVIQJSA-N	-1	364.372	FB	-0.001	3	Mild	high	FBEAHM	CC(=O)OC[C@@H]1O[C@H]([S-])[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	in-vitro
CC(=O)OC[C@@H]1O[C@H](S)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000254486048	75/64/78/519756478	SFOZKJGZNOBSHF-QSLWVIQJSA-N	0	364.372	FB	-0.001	0	Mild	ref	FBEARN	CC(=O)OC[C@@H]1O[C@H](S)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	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	ZINC000409421828	40/96/64/484409664	CWVRJTMFETXNAD-BMNNCGMMSA-N	-1	354.311	FB	-0.646	0	Clean	ref	FBCARM	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	in-man biogenic