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
COc1cc(/C=C/C(=O)O[C@@H]2C[C@](O)(C(=O)O)C[C@@H](O)[C@H]2O)ccc1O	ZINC000003804531	82/08/85/483820885	RAGZUCNPTLULOL-KJJWLSQTSA-N	-1	368.338	FB	-0.343	0	Anodyne	ref	FBAARM	COc1cc(/C=C/C(=O)O[C@@H]2C[C@](O)(C(=O)[O-])C[C@@H](O)[C@H]2O)ccc1O	in-vitro biogenic
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	ZINC000004096248	54/17/18/219541718	CWVRJTMFETXNAD-NXLLHMKUSA-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-vitro biogenic
COC(=O)[C@]1(O)C[C@@H](O)[C@@H](O)[C@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C1	ZINC000006482465	45/24/11/209452411	MZNIJRAPCCELQX-AWOKGZDASA-N	0	368.338	FB	-0.558	0	Clean	ref	FBCARN	COC(=O)[C@]1(O)C[C@@H](O)[C@@H](O)[C@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C1	in-vitro biogenic
COc1cc(/C=C/C(=O)O[C@@H]2C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]2O)ccc1O	ZINC000012153723	59/92/09/483599209	RAGZUCNPTLULOL-KQJPBSFVSA-N	-1	368.338	FB	-0.343	0	Anodyne	ref	FBAARM	COc1cc(/C=C/C(=O)O[C@@H]2C[C@@](O)(C(=O)[O-])C[C@@H](O)[C@@H]2O)ccc1O	in-vitro biogenic
COc1cc(/C=C/C=O)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	ZINC000013515708	07/11/10/220071110	OYTCTPHTVUEGCL-GCPOEHJPSA-N	0	370.354	FB	-0.905	0	Reactive	ref	FBGARN	COc1cc(/C=C/C=O)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	in-vitro biogenic
COc1ccc(/C=C/C(=O)OC2[C@@H](O)CC(O)(C(=O)O)C[C@@H]2O)cc1O	ZINC000031155186	50/54/79/206505479	HPBJJSKSRVQRQK-VEHXKUGBSA-N	-1	368.338	FB	-0.343	0	Anodyne	ref	FBAARM	COc1ccc(/C=C/C(=O)OC2[C@@H](O)CC(O)(C(=O)[O-])C[C@@H]2O)cc1O	in-vitro biogenic
COc1ccc(/C=C/C(=O)OC2[C@@H](O)CC(O)(C(=O)O)C[C@H]2O)cc1O	ZINC000031155189	89/42/77/483894277	HPBJJSKSRVQRQK-UROYKSDHSA-N	-1	368.338	FB	-0.343	0	Anodyne	ref	FBABRM	COc1ccc(/C=C/C(=O)OC2[C@@H](O)CC(O)(C(=O)[O-])C[C@H]2O)cc1O	in-vitro biogenic
COc1ccc(/C=C/C(=O)OC2[C@H](O)CC(O)(C(=O)O)C[C@H]2O)cc1O	ZINC000031155197	98/81/71/484988171	HPBJJSKSRVQRQK-XQCMRRNBSA-N	-1	368.338	FB	-0.343	0	Anodyne	ref	FBAARM	COc1ccc(/C=C/C(=O)OC2[C@H](O)CC(O)(C(=O)[O-])C[C@H]2O)cc1O	in-vitro biogenic
O=C(O)c1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c2ccccc2c1O	ZINC000031157466	98/87/41/484988741	SGTNXGSCHXKQJX-OQAPJDJNSA-N	-1	366.322	FB	-0.578	0	Anodyne	ref	FBAARM	O=C([O-])c1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c2ccccc2c1O	in-vitro biogenic
O=C(O)CCc1cc2ccoc2cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	ZINC000031158287	63/55/23/220635523	OHMWGMHIZWOKHV-USACIQFYSA-N	-1	368.338	FB	-0.371	0	Anodyne	ref	FBAARM	O=C([O-])CCc1cc2ccoc2cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	in-vitro biogenic
O=C(O)/C=C/c1ccc2occc2c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	ZINC000031164241	63/47/19/220634719	CAMYXILYLXYDFE-PJDHSCROSA-N	-1	366.322	FB	-0.291	0	Anodyne	ref	FBAARM	O=C([O-])/C=C/c1ccc2occc2c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	in-vitro biogenic
COC(=O)[C@@](O)(CC(=O)O)[C@@H](OC(=O)/C=C/c1ccc(O)cc1)C(=O)O	ZINC000031166571	63/55/07/220635507	WOCSYFBKPNKGJB-POBIDRTASA-N	-2	368.294	FB	-0.219	0	Anodyne	ref	FBAARL	COC(=O)[C@@](O)(CC(=O)[O-])[C@@H](OC(=O)/C=C/c1ccc(O)cc1)C(=O)[O-]	in-vitro biogenic
COC(=O)[C@](O)(CC(=O)O)[C@@H](OC(=O)/C=C/c1ccc(O)cc1)C(=O)O	ZINC000031166575	63/47/39/220634739	WOCSYFBKPNKGJB-BVUAFDDQSA-N	-2	368.294	FB	-0.219	0	Anodyne	ref	FBAARL	COC(=O)[C@](O)(CC(=O)[O-])[C@@H](OC(=O)/C=C/c1ccc(O)cc1)C(=O)[O-]	in-vitro biogenic
COC(=O)[C@@](O)(CC(=O)O)[C@H](OC(=O)/C=C/c1ccc(O)cc1)C(=O)O	ZINC000031166579	98/90/02/484989002	WOCSYFBKPNKGJB-MPHRNGTFSA-N	-2	368.294	FB	-0.219	0	Anodyne	ref	FBAARL	COC(=O)[C@@](O)(CC(=O)[O-])[C@H](OC(=O)/C=C/c1ccc(O)cc1)C(=O)[O-]	in-vitro biogenic
COC(=O)[C@](O)(CC(=O)O)[C@H](OC(=O)/C=C/c1ccc(O)cc1)C(=O)O	ZINC000031166582	98/83/94/484988394	WOCSYFBKPNKGJB-UCCUKHFHSA-N	-2	368.294	FB	-0.219	0	Anodyne	ref	FBAARL	COC(=O)[C@](O)(CC(=O)[O-])[C@H](OC(=O)/C=C/c1ccc(O)cc1)C(=O)[O-]	in-vitro biogenic
O=C(O)C[C@@H](CCc1ccccc1)O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	ZINC000040949810	41/48/15/574414815	HRYIDVZLDQBLFF-FPUJXFPJSA-N	-1	356.371	FB	-0.721	0	Anodyne	ref	FBAARM	O=C([O-])C[C@@H](CCc1ccccc1)O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	in-man endogenous
CC1=CC(=O)[C@@H](O)[C@@]2(C)[C@H]1[C@@H](O)C(=O)[C@@]1(C)[C@H]3C(=O)O[C@H]([C@@H]3C)[C@H](O)[C@@H]12	ZINC000049034160	01/76/72/221017672	YDFWBQALFJSIRX-LYGXSPTJSA-N	0	364.394	FB	-0.383	0	Mild	ref	FBEARN	CC1CC(=O)C(=O)[C@@]2(C)[C@H]1[C@@H](O)C(=O)[C@@]1(C)[C@H]3C(=O)O[C@H]([C@@H]3C)[C@H](O)[C@H]21	in-vitro biogenic
CC1=CC(=O)[C@@H](O)[C@@]2(C)[C@H]1[C@@H](O)C(=O)[C@@]1(C)[C@H]3C(=O)O[C@H]([C@@H]3C)[C@H](O)[C@H]12	ZINC000049600290	02/65/22/221026522	YDFWBQALFJSIRX-XOZVDDKNSA-N	0	364.394	FB	-0.383	0	Mild	ref	FBEARN	CC1CC(=O)C(=O)[C@@]2(C)[C@H]1[C@@H](O)C(=O)[C@@]1(C)[C@H]3C(=O)O[C@H]([C@@H]3C)[C@H](O)[C@@H]21	in-vitro biogenic
C=C(C)[C@@H]1Cc2cc(C(=O)O[C@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]3O)ccc2O1	ZINC000049601568	08/78/45/206087845	UNLDGAKKIPYPKG-UWGUFZPDSA-N	0	366.366	FB	-0.477	0	Mild	ref	FBEBRN	C=C(C)[C@@H]1Cc2cc(C(=O)O[C@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]3O)ccc2O1	in-vitro biogenic
C=C(C)[C@H]1Cc2cc(C(=O)O[C@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]3O)ccc2O1	ZINC000049601569	02/59/50/221025950	UNLDGAKKIPYPKG-RDEONCLASA-N	0	366.366	FB	-0.477	0	Mild	ref	FBEBRN	C=C(C)[C@H]1Cc2cc(C(=O)O[C@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]3O)ccc2O1	in-vitro biogenic
C=C(C)[C@@H]1Cc2cc(C(=O)O[C@@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]3O)ccc2O1	ZINC000049601571	08/87/68/206088768	UNLDGAKKIPYPKG-OEODGGQDSA-N	0	366.366	FB	-0.477	0	Mild	ref	FBEBRN	C=C(C)[C@@H]1Cc2cc(C(=O)O[C@@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]3O)ccc2O1	in-vitro biogenic
C=C(C)[C@H]1Cc2cc(C(=O)O[C@@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]3O)ccc2O1	ZINC000049601572	02/64/71/221026471	UNLDGAKKIPYPKG-SVMIPSPUSA-N	0	366.366	FB	-0.477	0	Mild	ref	FBEBRN	C=C(C)[C@H]1Cc2cc(C(=O)O[C@@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]3O)ccc2O1	in-vitro biogenic
CC1=CC(=O)[C@@H](O)[C@@]2(C)[C@H]1[C@@H](O)[C@H]1OC(=O)[C@@H]3[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2[C@@]13C	ZINC000067912700	52/11/99/483521199	KBBRVTNGCNCUCX-OUVPPKOASA-N	0	366.41	FB	-0.591	0	Mild	ref	FBEBRN	CC1CC(=O)C(=O)[C@@]2(C)[C@H]1[C@@H](O)[C@H]1OC(=O)[C@@H]3[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2[C@@]13C	in-vitro biogenic
CC1=CC(=O)[C@@H](O)[C@@]2(C)[C@H]1[C@@H](O)[C@H]1OC(=O)[C@@H]3[C@@H](C)[C@@H](O)[C@@H](O)[C@H]2[C@@]13C	ZINC000067912703	30/40/94/221304094	KBBRVTNGCNCUCX-OYMVEUOTSA-N	0	366.41	FB	-0.591	0	Mild	ref	FBEBRN	CC1CC(=O)C(=O)[C@@]2(C)[C@H]1[C@@H](O)[C@H]1OC(=O)[C@@H]3[C@@H](C)[C@@H](O)[C@@H](O)[C@H]2[C@@]13C	in-vitro biogenic
CC1=CC(=O)[C@@H](O)[C@@]2(C)[C@H]1[C@@H](O)[C@H]1OC(=O)[C@H]3[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2[C@@]13C	ZINC000067912704	52/21/52/483522152	KBBRVTNGCNCUCX-OGGFYFNUSA-N	0	366.41	FB	-0.591	0	Mild	ref	FBEBRN	CC1CC(=O)C(=O)[C@@]2(C)[C@H]1[C@@H](O)[C@H]1OC(=O)[C@H]3[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2[C@@]13C	in-vitro biogenic
CC1=CC(=O)[C@@H](O)[C@@]2(C)[C@H]1[C@@H](O)[C@H]1OC(=O)[C@H]3[C@@H](C)[C@@H](O)[C@@H](O)[C@H]2[C@@]13C	ZINC000067912706	52/11/81/483521181	KBBRVTNGCNCUCX-NSENOGSDSA-N	0	366.41	FB	-0.591	0	Mild	ref	FBEBRN	CC1CC(=O)C(=O)[C@@]2(C)[C@H]1[C@@H](O)[C@H]1OC(=O)[C@H]3[C@@H](C)[C@@H](O)[C@@H](O)[C@H]2[C@@]13C	in-vitro biogenic
C=C1C[C@H](O)[C@@H](O)[C@@]2(C)[C@H]1[C@@H](O)[C@H]1OC(=O)[C@@H]3[C@@H](C)[C@@H](O)[C@@H](O)[C@H]2[C@@]13C	ZINC000067912709	30/41/16/221304116	YEMMVDQCVABATJ-NCNYHPFESA-N	0	368.426	FB	-0.799	0	Mild	ref	FBEBRN	C=C1C[C@H](O)[C@@H](O)[C@@]2(C)[C@H]1[C@@H](O)[C@H]1OC(=O)[C@@H]3[C@@H](C)[C@@H](O)[C@@H](O)[C@H]2[C@@]13C	in-vitro biogenic
C=C1C[C@H](O)[C@@H](O)[C@@]2(C)[C@H]1[C@@H](O)[C@H]1OC(=O)[C@@H]3[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2[C@@]13C	ZINC000067912711	18/88/36/208188836	YEMMVDQCVABATJ-XDHADYGNSA-N	0	368.426	FB	-0.799	0	Mild	ref	FBEBRN	C=C1C[C@H](O)[C@@H](O)[C@@]2(C)[C@H]1[C@@H](O)[C@H]1OC(=O)[C@@H]3[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2[C@@]13C	in-vitro biogenic
C=C1C[C@H](O)[C@@H](O)[C@@]2(C)[C@@H]1[C@@H](O)[C@H]1OC(=O)[C@@H]3[C@@H](C)[C@@H](O)[C@@H](O)[C@H]2[C@@]13C	ZINC000067912714	68/65/83/211686583	YEMMVDQCVABATJ-WDPHVUBFSA-N	0	368.426	FB	-0.799	0	Mild	ref	FBEBRN	C=C1C[C@H](O)[C@@H](O)[C@@]2(C)[C@@H]1[C@@H](O)[C@H]1OC(=O)[C@@H]3[C@@H](C)[C@@H](O)[C@@H](O)[C@H]2[C@@]13C	in-vitro biogenic
C=C1C[C@H](O)[C@@H](O)[C@]2(C)[C@@H]3[C@H](O)[C@H](O)[C@H](C)[C@H]4C(=O)O[C@H]([C@H](O)[C@H]12)[C@]34C	ZINC000067912716	30/41/35/221304135	YEMMVDQCVABATJ-NIUZJZLUSA-N	0	368.426	FB	-0.799	0	Mild	ref	FBEBRN	C=C1C[C@H](O)[C@@H](O)[C@]2(C)[C@@H]3[C@H](O)[C@H](O)[C@H](C)[C@H]4C(=O)O[C@H]([C@H](O)[C@H]12)[C@]34C	in-vitro biogenic
O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C=C(C(=O)O)O[C@H](C(=O)O)[C@@H]1O	ZINC000067913498	06/83/46/485068346	ZQFOLQKZDARIIB-CZNKRCTLSA-N	-2	366.278	FB	-0.164	0	Clean	ref	FBCBRL	O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C=C(C(=O)[O-])O[C@H](C(=O)[O-])[C@@H]1O	in-vitro biogenic
O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1C=C(C(=O)O)O[C@H](C(=O)O)[C@@H]1O	ZINC000067913502	52/08/98/483520898	ZQFOLQKZDARIIB-NYQJVMHYSA-N	-2	366.278	FB	-0.164	0	Clean	ref	FBCBRL	O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1C=C(C(=O)[O-])O[C@H](C(=O)[O-])[C@@H]1O	in-vitro biogenic
O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C=C(C(=O)O)O[C@@H](C(=O)O)[C@@H]1O	ZINC000067913503	01/13/96/208011396	ZQFOLQKZDARIIB-MWVDOTMNSA-N	-2	366.278	FB	-0.164	0	Clean	ref	FBCBRL	O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C=C(C(=O)[O-])O[C@@H](C(=O)[O-])[C@@H]1O	in-vitro biogenic
O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1C=C(C(=O)O)O[C@@H](C(=O)O)[C@@H]1O	ZINC000067913506	30/45/99/221304599	ZQFOLQKZDARIIB-FTECFNIESA-N	-2	366.278	FB	-0.164	0	Clean	ref	FBCBRL	O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1C=C(C(=O)[O-])O[C@@H](C(=O)[O-])[C@@H]1O	in-vitro biogenic
CC(=O)O[C@@H]1[C@H](O)[C@H](CO)O[C@H](O)[C@@H]1OC(=O)/C=C/c1ccc(O)cc1	ZINC000072320493	58/95/69/483589569	QXRDTLAXUJONPD-AJODNWIUSA-N	0	368.338	FB	-0.681	0	Anodyne	ref	FBABRN	CC(=O)O[C@@H]1[C@H](O)[C@H](CO)O[C@H](O)[C@@H]1OC(=O)/C=C/c1ccc(O)cc1	in-vitro biogenic
CC(=O)O[C@H]1[C@H](O)[C@H](CO)O[C@H](O)[C@@H]1OC(=O)/C=C/c1ccc(O)cc1	ZINC000072320494	03/12/85/205031285	QXRDTLAXUJONPD-WWODFVNESA-N	0	368.338	FB	-0.681	0	Anodyne	ref	FBABRN	CC(=O)O[C@H]1[C@H](O)[C@H](CO)O[C@H](O)[C@@H]1OC(=O)/C=C/c1ccc(O)cc1	in-vitro biogenic
CC(=O)O[C@@H]1[C@@H](O)[C@H](CO)O[C@H](O)[C@@H]1OC(=O)/C=C/c1ccc(O)cc1	ZINC000072320495	18/56/66/208185666	QXRDTLAXUJONPD-CRFNQXHISA-N	0	368.338	FB	-0.681	0	Anodyne	ref	FBABRN	CC(=O)O[C@@H]1[C@@H](O)[C@H](CO)O[C@H](O)[C@@H]1OC(=O)/C=C/c1ccc(O)cc1	in-vitro biogenic
CC(=O)O[C@H]1[C@@H](O)[C@H](CO)O[C@H](O)[C@@H]1OC(=O)/C=C/c1ccc(O)cc1	ZINC000072320496	58/94/13/483589413	QXRDTLAXUJONPD-NDQSORACSA-N	0	368.338	FB	-0.681	0	Anodyne	ref	FBABRN	CC(=O)O[C@H]1[C@@H](O)[C@H](CO)O[C@H](O)[C@@H]1OC(=O)/C=C/c1ccc(O)cc1	in-vitro biogenic
COC(=O)C[C@H]1C[C@@]2(O)C(=O)c3c(O)cccc3C(=O)[C@@]2(O)[C@@H](C)O1	ZINC000072320617	03/02/17/205030217	HILBWEPXZDMOAE-HUIHUXAKSA-N	-1	350.323	FB	-0.026	3	Clean	high	FBCBHM	COC(=O)C[C@H]1C[C@@]2(O)C(=O)c3c([O-])cccc3C(=O)[C@@]2(O)[C@@H](C)O1	in-vitro biogenic
COC(=O)C[C@H]1C[C@@]2(O)C(=O)c3c(O)cccc3C(=O)[C@@]2(O)[C@@H](C)O1	ZINC000072320617	03/02/11/205030211	HILBWEPXZDMOAE-HUIHUXAKSA-N	0	350.323	FB	-0.026	0	Clean	ref	FBCBRN	COC(=O)C[C@H]1C[C@@]2(O)C(=O)c3c(O)cccc3C(=O)[C@@]2(O)[C@@H](C)O1	in-vitro biogenic
COC(=O)C[C@H]1C[C@@]2(O)C(=O)c3c(O)cccc3C(=O)[C@@]2(O)[C@H](C)O1	ZINC000072320618	18/62/58/208186258	HILBWEPXZDMOAE-QCCKTTINSA-N	-1	350.323	FB	-0.026	3	Clean	high	FBCBHM	COC(=O)C[C@H]1C[C@@]2(O)C(=O)c3c([O-])cccc3C(=O)[C@@]2(O)[C@H](C)O1	in-vitro biogenic
COC(=O)C[C@H]1C[C@@]2(O)C(=O)c3c(O)cccc3C(=O)[C@@]2(O)[C@H](C)O1	ZINC000072320618	18/62/51/208186251	HILBWEPXZDMOAE-QCCKTTINSA-N	0	350.323	FB	-0.026	0	Clean	ref	FBCBRN	COC(=O)C[C@H]1C[C@@]2(O)C(=O)c3c(O)cccc3C(=O)[C@@]2(O)[C@H](C)O1	in-vitro biogenic
COC(=O)C[C@H]1C[C@@]2(O)C(=O)c3c(O)cccc3C(=O)[C@]2(O)[C@@H](C)O1	ZINC000072320619	58/92/38/483589238	HILBWEPXZDMOAE-WAYHNIQISA-N	-1	350.323	FB	-0.026	3	Clean	high	FBCBHM	COC(=O)C[C@H]1C[C@@]2(O)C(=O)c3c([O-])cccc3C(=O)[C@]2(O)[C@@H](C)O1	in-vitro biogenic
COC(=O)C[C@H]1C[C@@]2(O)C(=O)c3c(O)cccc3C(=O)[C@]2(O)[C@@H](C)O1	ZINC000072320619	58/92/28/483589228	HILBWEPXZDMOAE-WAYHNIQISA-N	0	350.323	FB	-0.026	0	Clean	ref	FBCBRN	COC(=O)C[C@H]1C[C@@]2(O)C(=O)c3c(O)cccc3C(=O)[C@]2(O)[C@@H](C)O1	in-vitro biogenic
COC(=O)C[C@H]1C[C@@]2(O)C(=O)c3c(O)cccc3C(=O)[C@]2(O)[C@H](C)O1	ZINC000072320620	03/12/33/205031233	HILBWEPXZDMOAE-PIENQADHSA-N	-1	350.323	FB	-0.026	3	Clean	high	FBCBHM	COC(=O)C[C@H]1C[C@@]2(O)C(=O)c3c([O-])cccc3C(=O)[C@]2(O)[C@H](C)O1	in-vitro biogenic
COC(=O)C[C@H]1C[C@@]2(O)C(=O)c3c(O)cccc3C(=O)[C@]2(O)[C@H](C)O1	ZINC000072320620	03/12/30/205031230	HILBWEPXZDMOAE-PIENQADHSA-N	0	350.323	FB	-0.026	0	Clean	ref	FBCBRN	COC(=O)C[C@H]1C[C@@]2(O)C(=O)c3c(O)cccc3C(=O)[C@]2(O)[C@H](C)O1	in-vitro biogenic
COC(=O)c1cc(OC)c(O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)c(OC)c1	ZINC000096295983	86/66/64/484866664	DNTCXDVSHGJREC-BEUGDGFMSA-N	0	358.343	FB	-0.303	0	Anodyne	ref	FBABRN	COC(=O)c1cc(OC)c(O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)c(OC)c1	in-vitro biogenic
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	ZINC000100038257	20/73/62/209207362	GYFFKZTYYAFCTR-JUHZACGLSA-N	-1	354.311	FB	-0.646	0	Clean	ref	FBCARM	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	in-man endogenous
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	ZINC000100059665	82/97/97/483829797	GWTUHAXUUFROTF-JUHZACGLSA-N	-1	354.311	FB	-0.646	0	Clean	ref	FBCARM	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	in-vitro biogenic
COc1cc(/C=C/C(=O)O[C@@H]2[C@H](O)C[C@@](O)(C(=O)O)C[C@H]2O)ccc1O	ZINC000100060075	22/20/73/206222073	VTMFDSJJVNQXLT-KSQYBWRXSA-N	-1	368.338	FB	-0.343	0	Anodyne	ref	FBAARM	COc1cc(/C=C/C(=O)O[C@@H]2[C@H](O)C[C@@](O)(C(=O)[O-])C[C@H]2O)ccc1O	in-vitro biogenic
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	ZINC000100070393	23/48/08/222234808	GYFFKZTYYAFCTR-UCEFVAKBSA-N	-1	354.311	FB	-0.646	0	Clean	ref	FBCARM	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	in-vitro biogenic
COC(=O)C[C@@H]1C[C@]2(O)C(=O)c3c(O)cccc3C(=O)[C@]2(O)[C@H](C)O1	ZINC000106939467	39/02/05/222390205	HILBWEPXZDMOAE-BAHRESBFSA-N	-1	350.323	FB	-0.026	3	Clean	high	FBCAHM	COC(=O)C[C@@H]1C[C@]2(O)C(=O)c3c([O-])cccc3C(=O)[C@]2(O)[C@H](C)O1	in-vitro biogenic
COC(=O)C[C@@H]1C[C@]2(O)C(=O)c3c(O)cccc3C(=O)[C@]2(O)[C@H](C)O1	ZINC000106939467	39/02/02/222390202	HILBWEPXZDMOAE-BAHRESBFSA-N	0	350.323	FB	-0.026	0	Clean	ref	FBCARN	COC(=O)C[C@@H]1C[C@]2(O)C(=O)c3c(O)cccc3C(=O)[C@]2(O)[C@H](C)O1	in-vitro biogenic
COC(=O)C[C@@H]1C[C@]2(O)C(=O)c3c(O)cccc3C(=O)[C@]2(O)[C@@H](C)O1	ZINC000106939472	64/55/14/483645514	HILBWEPXZDMOAE-HYFBCXPASA-N	-1	350.323	FB	-0.026	3	Clean	high	FBCAHM	COC(=O)C[C@@H]1C[C@]2(O)C(=O)c3c([O-])cccc3C(=O)[C@]2(O)[C@@H](C)O1	in-vitro biogenic
COC(=O)C[C@@H]1C[C@]2(O)C(=O)c3c(O)cccc3C(=O)[C@]2(O)[C@@H](C)O1	ZINC000106939472	64/55/02/483645502	HILBWEPXZDMOAE-HYFBCXPASA-N	0	350.323	FB	-0.026	0	Clean	ref	FBCARN	COC(=O)C[C@@H]1C[C@]2(O)C(=O)c3c(O)cccc3C(=O)[C@]2(O)[C@@H](C)O1	in-vitro biogenic
COC(=O)C[C@@H]1C[C@]2(O)C(=O)c3c(O)cccc3C(=O)[C@@]2(O)[C@@H](C)O1	ZINC000229775271	00/79/79/485007979	HILBWEPXZDMOAE-NFTQXYDQSA-N	-1	350.323	FB	-0.026	3	Clean	high	FBCAHM	COC(=O)C[C@@H]1C[C@]2(O)C(=O)c3c([O-])cccc3C(=O)[C@@]2(O)[C@@H](C)O1	in-vitro biogenic
COC(=O)C[C@@H]1C[C@]2(O)C(=O)c3c(O)cccc3C(=O)[C@@]2(O)[C@@H](C)O1	ZINC000229775271	00/79/67/485007967	HILBWEPXZDMOAE-NFTQXYDQSA-N	0	350.323	FB	-0.026	0	Clean	ref	FBCARN	COC(=O)C[C@@H]1C[C@]2(O)C(=O)c3c(O)cccc3C(=O)[C@@]2(O)[C@@H](C)O1	in-vitro biogenic
O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C=C(C(=O)O)O[C@H](C(=O)O)[C@H]1O	ZINC000230083346	96/20/18/484962018	ZQFOLQKZDARIIB-OQONQOMPSA-N	-2	366.278	FB	-0.164	0	Clean	ref	FBCBRL	O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C=C(C(=O)[O-])O[C@H](C(=O)[O-])[C@H]1O	in-vitro biogenic
COC(=O)C[C@@H]1C[C@]2(O)C(=O)c3c(O)cccc3C(=O)[C@@]2(O)[C@H](C)O1	ZINC000248006360	30/71/09/523307109	HILBWEPXZDMOAE-ONYRFCSVSA-N	-1	350.323	FB	-0.026	3	Clean	high	FBCBHM	COC(=O)C[C@@H]1C[C@]2(O)C(=O)c3c([O-])cccc3C(=O)[C@@]2(O)[C@H](C)O1	in-vitro biogenic
COC(=O)C[C@@H]1C[C@]2(O)C(=O)c3c(O)cccc3C(=O)[C@@]2(O)[C@H](C)O1	ZINC000248006360	30/70/88/523307088	HILBWEPXZDMOAE-ONYRFCSVSA-N	0	350.323	FB	-0.026	0	Clean	ref	FBCBRN	COC(=O)C[C@@H]1C[C@]2(O)C(=O)c3c(O)cccc3C(=O)[C@@]2(O)[C@H](C)O1	in-vitro biogenic
C=C1C[C@H](O)[C@@H](O)[C@]2(C)[C@@H]3[C@@H](O)[C@H](O)[C@H](C)[C@@H]4C(=O)O[C@H]([C@H](O)[C@H]12)[C@@]43C	ZINC000252516940	66/73/16/518667316	YEMMVDQCVABATJ-BLSBHQRASA-N	0	368.426	FB	-0.799	0	Mild	ref	FBEBRN	C=C1C[C@H](O)[C@@H](O)[C@]2(C)[C@@H]3[C@@H](O)[C@H](O)[C@H](C)[C@@H]4C(=O)O[C@H]([C@H](O)[C@H]12)[C@@]43C	in-vitro biogenic
C=C1C[C@H](O)[C@@H](O)[C@]2(C)[C@@H]3[C@@H](O)[C@H](O)[C@H](C)[C@H]4C(=O)O[C@H]([C@H](O)[C@H]12)[C@]34C	ZINC000252516941	66/69/07/518666907	YEMMVDQCVABATJ-CDRDCWMZSA-N	0	368.426	FB	-0.799	0	Mild	ref	FBEBRN	C=C1C[C@H](O)[C@@H](O)[C@]2(C)[C@@H]3[C@@H](O)[C@H](O)[C@H](C)[C@H]4C(=O)O[C@H]([C@H](O)[C@H]12)[C@]34C	in-vitro biogenic
C=C1C[C@H](O)[C@@H](O)[C@@]2(C)[C@@H]1[C@@H](O)[C@H]1OC(=O)[C@@H]3[C@@H](C)[C@@H](O)[C@H](O)[C@H]2[C@@]13C	ZINC000252516942	66/68/01/518666801	YEMMVDQCVABATJ-IGSFJNSESA-N	0	368.426	FB	-0.799	0	Mild	ref	FBEBRN	C=C1C[C@H](O)[C@@H](O)[C@@]2(C)[C@@H]1[C@@H](O)[C@H]1OC(=O)[C@@H]3[C@@H](C)[C@@H](O)[C@H](O)[C@H]2[C@@]13C	in-vitro biogenic
C=C1C[C@H](O)[C@@H](O)[C@@]2(C)[C@@H]1[C@@H](O)[C@H]1OC(=O)[C@H]3[C@@H](C)[C@@H](O)[C@H](O)[C@H]2[C@]31C	ZINC000252516943	66/71/95/518667195	YEMMVDQCVABATJ-TTZBFXFLSA-N	0	368.426	FB	-0.799	0	Mild	ref	FBEBRN	C=C1C[C@H](O)[C@@H](O)[C@@]2(C)[C@@H]1[C@@H](O)[C@H]1OC(=O)[C@H]3[C@@H](C)[C@@H](O)[C@H](O)[C@H]2[C@]31C	in-vitro biogenic
CC1=CC(=O)[C@@H](O)[C@@]2(C)[C@@H]1[C@@H](O)[C@H]1OC(=O)[C@H]3[C@@H](C)[C@@H](O)[C@@H](O)[C@H]2[C@]31C	ZINC000253388728	85/29/98/520852998	KBBRVTNGCNCUCX-DBJZYPCESA-N	0	366.41	FB	-0.591	0	Mild	ref	FBEBRN	CC1CC(=O)C(=O)[C@]2(C)[C@H]3[C@H](O)[C@H](O)[C@H](C)[C@@H]4C(=O)O[C@H]([C@H](O)[C@H]12)[C@@]43C	in-vitro biogenic
CC1=CC(=O)[C@@H](O)[C@]2(C)[C@@H]3[C@H](O)[C@H](O)[C@H](C)[C@@H]4C(=O)O[C@H]([C@H](O)[C@H]12)[C@@]43C	ZINC000253388729	85/21/88/520852188	KBBRVTNGCNCUCX-OEZUNDTLSA-N	0	366.41	FB	-0.591	0	Mild	ref	FBEBRN	CC1CC(=O)C(=O)[C@@]2(C)[C@@H]1[C@@H](O)[C@H]1OC(=O)[C@H]3[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2[C@]31C	in-vitro biogenic
CC1=CC(=O)[C@@H](O)[C@@]2(C)[C@@H]1[C@@H](O)[C@H]1OC(=O)[C@@H]3[C@@H](C)[C@@H](O)[C@@H](O)[C@H]2[C@@]13C	ZINC000253388730	85/18/45/520851845	KBBRVTNGCNCUCX-PQKKUOAJSA-N	0	366.41	FB	-0.591	0	Mild	ref	FBEBRN	CC1CC(=O)C(=O)[C@]2(C)[C@H]3[C@H](O)[C@H](O)[C@H](C)[C@H]4C(=O)O[C@H]([C@H](O)[C@H]12)[C@]34C	in-vitro biogenic
CC1=CC(=O)[C@@H](O)[C@]2(C)[C@@H]3[C@H](O)[C@H](O)[C@H](C)[C@H]4C(=O)O[C@H]([C@H](O)[C@H]12)[C@]34C	ZINC000253388731	85/29/59/520852959	KBBRVTNGCNCUCX-QHAOAFGTSA-N	0	366.41	FB	-0.591	0	Mild	ref	FBEBRN	CC1CC(=O)C(=O)[C@@]2(C)[C@@H]1[C@@H](O)[C@H]1OC(=O)[C@@H]3[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2[C@@]13C	in-vitro biogenic
COc1ccc(/C=C/C(=O)O[C@@H]2[C@@H](O)C[C@](O)(C(=O)O)C[C@H]2O)cc1O	ZINC000253390527	39/96/32/523399632	HPBJJSKSRVQRQK-KELUSVLXSA-N	-1	368.338	FB	-0.343	0	Anodyne	ref	FBABRM	COc1ccc(/C=C/C(=O)O[C@@H]2[C@@H](O)C[C@](O)(C(=O)[O-])C[C@H]2O)cc1O	in-vitro biogenic
O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C=C(C(=O)O)O[C@@H](C(=O)O)[C@H]1O	ZINC000253390659	61/57/99/527615799	ZQFOLQKZDARIIB-SXYIURFDSA-N	-2	366.278	FB	-0.164	0	Clean	ref	FBCERL	O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C=C(C(=O)[O-])O[C@@H](C(=O)[O-])[C@H]1O	 
O=C(O)C[C@@H](CCc1ccccc1)O[C@@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	ZINC000253500652	62/46/87/527624687	HRYIDVZLDQBLFF-DWOGQGFVSA-N	-1	356.371	FB	-0.721	0	Anodyne	ref	FBABRM	O=C([O-])C[C@@H](CCc1ccccc1)O[C@@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	in-man endogenous
O=C(O)C[C@H](CCc1ccccc1)O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	ZINC000253500653	63/35/16/527633516	HRYIDVZLDQBLFF-OMDCEGJDSA-N	-1	356.371	FB	-0.721	0	Anodyne	ref	FBABRM	O=C([O-])C[C@H](CCc1ccccc1)O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	in-man endogenous
O=C(O)C[C@H](CCc1ccccc1)O[C@@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	ZINC000253500654	63/32/00/527633200	HRYIDVZLDQBLFF-WNCKCILZSA-N	-1	356.371	FB	-0.721	0	Anodyne	ref	FBABRM	O=C([O-])C[C@H](CCc1ccccc1)O[C@@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	in-man endogenous
C=C(C)[C@H]1Cc2cc(C(=O)O[C@@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)ccc2O1	ZINC000253532317	64/61/23/518646123	UNLDGAKKIPYPKG-HUZOTTPUSA-N	0	366.366	FB	-0.477	0	Mild	ref	FBEBRN	C=C(C)[C@H]1Cc2cc(C(=O)O[C@@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)ccc2O1	in-vitro biogenic
C=C(C)[C@@H]1Cc2cc(C(=O)O[C@@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)ccc2O1	ZINC000253532318	64/54/12/518645412	UNLDGAKKIPYPKG-PURPPNFBSA-N	0	366.366	FB	-0.477	0	Mild	ref	FBEBRN	C=C(C)[C@@H]1Cc2cc(C(=O)O[C@@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)ccc2O1	in-vitro biogenic
C=C(C)[C@@H]1Cc2cc(C(=O)O[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)ccc2O1	ZINC000253532319	64/52/21/518645221	UNLDGAKKIPYPKG-USYDEQQFSA-N	0	366.366	FB	-0.477	0	Mild	ref	FBEBRN	C=C(C)[C@@H]1Cc2cc(C(=O)O[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)ccc2O1	in-vitro biogenic
C=C(C)[C@H]1Cc2cc(C(=O)O[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)ccc2O1	ZINC000253532320	64/69/05/518646905	UNLDGAKKIPYPKG-VMLUTVHQSA-N	0	366.366	FB	-0.477	0	Mild	ref	FBEBRN	C=C(C)[C@H]1Cc2cc(C(=O)O[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)ccc2O1	in-vitro biogenic
CC(=O)O[C@@H]1[C@@H](O)[C@H](CO)O[C@H](O)[C@H]1OC(=O)/C=C/c1ccc(O)cc1	ZINC000253532554	75/72/88/519757288	QXRDTLAXUJONPD-IDECCGTCSA-N	0	368.338	FB	-0.681	0	Anodyne	ref	FBABRN	CC(=O)O[C@@H]1[C@@H](O)[C@H](CO)O[C@H](O)[C@H]1OC(=O)/C=C/c1ccc(O)cc1	in-vitro biogenic
CC(=O)O[C@@H]1[C@@H](O)[C@H](CO)O[C@@H](O)[C@H]1OC(=O)/C=C/c1ccc(O)cc1	ZINC000253532555	75/74/01/519757401	QXRDTLAXUJONPD-IUSCBJIPSA-N	0	368.338	FB	-0.681	0	Anodyne	ref	FBABRN	CC(=O)O[C@@H]1[C@@H](O)[C@H](CO)O[C@@H](O)[C@H]1OC(=O)/C=C/c1ccc(O)cc1	in-vitro biogenic
CC(=O)/C=C/C=C/c1ccc(O)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1	ZINC000514287961	88/73/49/483887349	QVRKJAULZGGREE-QWSUBRLRSA-N	0	366.366	FB	-0.271	0	Mild	ref	FBEARN	CC(=O)/C=C/C=C/c1ccc(O)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1	in-vitro biogenic