CS[C@]1(CO)C(=O)N2[C@H]3C(=CC=C[C@@H]3O)C[C@@]2(SC)C(=O)N1C	ZINC000005599818	44/72/14/209447214	OVBAGMZLGLXSBN-UOVKNHIHSA-N	0	356.469	FC	0.027	0	Anodyne	ref	FCAARN	CS[C@]1(CO)C(=O)N2[C@H]3C(=CC=C[C@@H]3O)C[C@@]2(SC)C(=O)N1C	in-vitro biogenic
COc1cc(O)c([C@@H](CO)[C@@H](O)CO)c2oc3cccc(O)c3c(=O)c12	ZINC000014694894	31/30/09/206313009	WHNAJPFARNBVDZ-KWQFWETISA-N	-1	362.334	FC	0.795	1	Bother	mid	FCBAMM	COc1cc([O-])c([C@@H](CO)[C@@H](O)CO)c2oc3cccc(O)c3c(=O)c12	in-vitro biogenic
COc1cc(O)c([C@@H](CO)[C@@H](O)CO)c2oc3cccc(O)c3c(=O)c12	ZINC000014694894	31/30/04/206313004	WHNAJPFARNBVDZ-KWQFWETISA-N	-2	362.334	FC	0.795	1	Bother	mid	FCBAML	COc1cc([O-])c([C@@H](CO)[C@@H](O)CO)c2oc3cccc(=O)c-3c([O-])c12	in-vitro biogenic
COc1cc(O)c([C@@H](CO)[C@@H](O)CO)c2oc3cccc(O)c3c(=O)c12	ZINC000014694894	31/30/00/206313000	WHNAJPFARNBVDZ-KWQFWETISA-N	0	362.334	FC	0.795	0	Bother	ref	FCBARN	COc1cc(O)c([C@@H](CO)[C@@H](O)CO)c2oc3cccc(O)c3c(=O)c12	in-vitro biogenic
COc1cc(O)c([C@H](CO)[C@@H](O)CO)c2oc3cccc(O)c3c(=O)c12	ZINC000014694896	12/96/75/220129675	WHNAJPFARNBVDZ-KCJUWKMLSA-N	-1	362.334	FC	0.795	1	Bother	mid	FCBAMM	COc1cc([O-])c([C@H](CO)[C@@H](O)CO)c2oc3cccc(O)c3c(=O)c12	in-vitro biogenic
COc1cc(O)c([C@H](CO)[C@@H](O)CO)c2oc3cccc(O)c3c(=O)c12	ZINC000014694896	12/96/73/220129673	WHNAJPFARNBVDZ-KCJUWKMLSA-N	-2	362.334	FC	0.795	1	Bother	mid	FCBAML	COc1cc([O-])c([C@H](CO)[C@@H](O)CO)c2oc3cccc(=O)c-3c([O-])c12	in-vitro biogenic
COc1cc(O)c([C@H](CO)[C@@H](O)CO)c2oc3cccc(O)c3c(=O)c12	ZINC000014694896	12/96/70/220129670	WHNAJPFARNBVDZ-KCJUWKMLSA-N	0	362.334	FC	0.795	0	Bother	ref	FCBARN	COc1cc(O)c([C@H](CO)[C@@H](O)CO)c2oc3cccc(O)c3c(=O)c12	in-vitro biogenic
COc1cc(O)c([C@@H](CO)[C@H](O)CO)c2oc3cccc(O)c3c(=O)c12	ZINC000014694898	57/43/53/487574353	WHNAJPFARNBVDZ-GZMMTYOYSA-N	-1	362.334	FC	0.795	1	Bother	mid	FCBAMM	COc1cc([O-])c([C@@H](CO)[C@H](O)CO)c2oc3cccc(O)c3c(=O)c12	in-vitro biogenic
COc1cc(O)c([C@@H](CO)[C@H](O)CO)c2oc3cccc(O)c3c(=O)c12	ZINC000014694898	57/43/47/487574347	WHNAJPFARNBVDZ-GZMMTYOYSA-N	-2	362.334	FC	0.795	1	Bother	mid	FCBAML	COc1cc([O-])c([C@@H](CO)[C@H](O)CO)c2oc3cccc(=O)c-3c([O-])c12	in-vitro biogenic
COc1cc(O)c([C@@H](CO)[C@H](O)CO)c2oc3cccc(O)c3c(=O)c12	ZINC000014694898	57/43/41/487574341	WHNAJPFARNBVDZ-GZMMTYOYSA-N	0	362.334	FC	0.795	0	Bother	ref	FCBARN	COc1cc(O)c([C@@H](CO)[C@H](O)CO)c2oc3cccc(O)c3c(=O)c12	in-vitro biogenic
COc1cc(O)c([C@H](CO)[C@H](O)CO)c2oc3cccc(O)c3c(=O)c12	ZINC000014694900	57/44/03/487574403	WHNAJPFARNBVDZ-LDYMZIIASA-N	-1	362.334	FC	0.795	1	Bother	mid	FCBAMM	COc1cc([O-])c([C@H](CO)[C@H](O)CO)c2oc3cccc(O)c3c(=O)c12	in-vitro biogenic
COc1cc(O)c([C@H](CO)[C@H](O)CO)c2oc3cccc(O)c3c(=O)c12	ZINC000014694900	57/43/99/487574399	WHNAJPFARNBVDZ-LDYMZIIASA-N	-2	362.334	FC	0.795	1	Bother	mid	FCBAML	COc1cc([O-])c([C@H](CO)[C@H](O)CO)c2oc3cccc(=O)c-3c([O-])c12	in-vitro biogenic
COc1cc(O)c([C@H](CO)[C@H](O)CO)c2oc3cccc(O)c3c(=O)c12	ZINC000014694900	57/43/95/487574395	WHNAJPFARNBVDZ-LDYMZIIASA-N	0	362.334	FC	0.795	0	Bother	ref	FCBARN	COc1cc(O)c([C@H](CO)[C@H](O)CO)c2oc3cccc(O)c3c(=O)c12	in-vitro biogenic
CC1=CC(=O)CC(C)(C)[C@@H]1CC[C@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	ZINC000031155664	39/09/20/263390920	NYLNHNDMNOPWAZ-QGDAGGGZSA-N	0	372.458	FC	0.533	0	Mild	ref	FCEARN	CC1=CC(=O)CC(C)(C)[C@@H]1CC[C@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	in-vitro biogenic
CC1=CC(=O)CC(C)(C)[C@@H]1CC[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	ZINC000031155668	39/11/57/263391157	NYLNHNDMNOPWAZ-MLONCLLVSA-N	0	372.458	FC	0.533	0	Mild	ref	FCEARN	CC1=CC(=O)CC(C)(C)[C@@H]1CC[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	in-vitro biogenic
CC1=CC(=O)CC(C)(C)[C@H]1CC[C@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	ZINC000031155673	39/12/78/263391278	NYLNHNDMNOPWAZ-CODAKJSOSA-N	0	372.458	FC	0.533	0	Mild	ref	FCEARN	CC1=CC(=O)CC(C)(C)[C@H]1CC[C@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	in-vitro biogenic
CC1=CC(=O)CC(C)(C)[C@H]1CC[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	ZINC000031155678	39/12/80/263391280	NYLNHNDMNOPWAZ-ZLEFDVGRSA-N	0	372.458	FC	0.533	0	Mild	ref	FCEARN	CC1=CC(=O)CC(C)(C)[C@H]1CC[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	in-vitro biogenic
C=C1C(=O)O[C@@H]2[C@H]3C(=O)CC[C@@H](O)[C@]3(C)C[C@H](OC(=O)[C@@H](C)CO)[C@@H]12	ZINC000031157178	75/35/41/487753541	QKSRJNOHZIOCSF-OIIMMHAJSA-N	0	352.383	FC	0.374	0	Mild	ref	FCEBRN	C=C1C(=O)O[C@@H]2[C@H]3C(=O)CC[C@@H](O)[C@]3(C)C[C@H](OC(=O)[C@@H](C)CO)[C@@H]12	in-vitro biogenic
C=C1C(=O)O[C@@H]2[C@H]3C(=O)CC[C@@H](O)[C@]3(C)C[C@H](OC(=O)[C@H](C)CO)[C@@H]12	ZINC000031157183	75/35/74/487753574	QKSRJNOHZIOCSF-LKQATKCTSA-N	0	352.383	FC	0.374	0	Mild	ref	FCEBRN	C=C1C(=O)O[C@@H]2[C@H]3C(=O)CC[C@@H](O)[C@]3(C)C[C@H](OC(=O)[C@H](C)CO)[C@@H]12	in-vitro biogenic
C=C(C)C(=O)O[C@H]1C[C@@](C)(O)C(=O)C[C@@H](O)/C(C)=C\[C@H]2OC(=O)C(=C)[C@H]12	ZINC000031157969	63/17/75/220631775	JGWDBQRLOBLTHU-YCGJVNEDSA-N	0	364.394	FC	0.993	0	Mild	ref	FCEBRN	C=C(C)C(=O)O[C@H]1C[C@@](C)(O)C(=O)C[C@@H](O)/C(C)=C\[C@H]2OC(=O)C(=C)[C@H]12	in-vitro biogenic
C=C(C)C(=O)O[C@H]1C[C@@](C)(O)C(=O)C[C@H](O)/C(C)=C\[C@H]2OC(=O)C(=C)[C@H]12	ZINC000031157977	75/34/09/487753409	JGWDBQRLOBLTHU-GZHIAUNLSA-N	0	364.394	FC	0.993	0	Mild	ref	FCEBRN	C=C(C)C(=O)O[C@H]1C[C@@](C)(O)C(=O)C[C@H](O)/C(C)=C\[C@H]2OC(=O)C(=C)[C@H]12	in-vitro biogenic
C[C@H]1CC(=O)C2=C(C1)[C@@H](O)[C@@H](O)[C@@]1(O)[C@H]2C(=O)c2cccc(O)c2[C@@H]1O	ZINC000031158951	09/05/16/560090516	NFQFDMJGZPLWGI-QCIJLERGSA-N	-1	360.362	FC	0.0	3	Mild	high	FCEAHM	C[C@H]1CC(=O)C2=C(C1)[C@@H](O)[C@@H](O)[C@@]1(O)C2=C([O-])c2cccc(O)c2[C@@H]1O	in-vitro biogenic
C[C@H]1CC(=O)C2=C(C1)[C@@H](O)[C@@H](O)[C@@]1(O)[C@H]2C(=O)c2cccc(O)c2[C@@H]1O	ZINC000031158951	09/05/15/560090515	NFQFDMJGZPLWGI-QCIJLERGSA-N	-1	360.362	FC	0.0	0	Mild	ref	FCEARM	C[C@H]1CC(=O)C2=C(C1)[C@@H](O)[C@@H](O)[C@@]1(O)C2=C(O)c2cccc(O)c2[C@@H]1O	in-vitro biogenic
C[C@H]1CC(=O)C2=C(C1)[C@H](O)[C@@H](O)[C@@]1(O)[C@H]2C(=O)c2cccc(O)c2[C@@H]1O	ZINC000031158954	09/04/94/560090494	NFQFDMJGZPLWGI-PUEOJAHYSA-N	-1	360.362	FC	0.0	3	Mild	high	FCEAHM	C[C@H]1CC(=O)C2=C(C1)[C@H](O)[C@@H](O)[C@@]1(O)C2=C([O-])c2cccc(O)c2[C@@H]1O	in-vitro biogenic
C[C@H]1CC(=O)C2=C(C1)[C@H](O)[C@@H](O)[C@@]1(O)[C@H]2C(=O)c2cccc(O)c2[C@@H]1O	ZINC000031158954	09/04/92/560090492	NFQFDMJGZPLWGI-PUEOJAHYSA-N	-1	360.362	FC	0.0	0	Mild	ref	FCEARM	C[C@H]1CC(=O)C2=C(C1)[C@H](O)[C@@H](O)[C@@]1(O)C2=C(O)c2cccc(O)c2[C@@H]1O	in-vitro biogenic
C[C@H]1CC(=O)C2=C(C1)[C@@H](O)[C@H](O)[C@@]1(O)[C@H]2C(=O)c2cccc(O)c2[C@@H]1O	ZINC000031158958	09/05/10/560090510	NFQFDMJGZPLWGI-UUYOAMLZSA-N	-1	360.362	FC	0.0	3	Mild	high	FCEAHM	C[C@H]1CC(=O)C2=C(C1)[C@@H](O)[C@H](O)[C@@]1(O)C2=C([O-])c2cccc(O)c2[C@@H]1O	in-vitro biogenic
C[C@H]1CC(=O)C2=C(C1)[C@@H](O)[C@H](O)[C@@]1(O)[C@H]2C(=O)c2cccc(O)c2[C@@H]1O	ZINC000031158958	09/05/09/560090509	NFQFDMJGZPLWGI-UUYOAMLZSA-N	-1	360.362	FC	0.0	0	Mild	ref	FCEARM	C[C@H]1CC(=O)C2=C(C1)[C@@H](O)[C@H](O)[C@@]1(O)C2=C(O)c2cccc(O)c2[C@@H]1O	in-vitro biogenic
C[C@H]1CC(=O)C2=C(C1)[C@H](O)[C@H](O)[C@@]1(O)[C@H]2C(=O)c2cccc(O)c2[C@@H]1O	ZINC000031158962	09/05/13/560090513	NFQFDMJGZPLWGI-ROCRPXPDSA-N	-1	360.362	FC	0.0	3	Mild	high	FCEAHM	C[C@H]1CC(=O)C2=C(C1)[C@H](O)[C@H](O)[C@@]1(O)C2=C([O-])c2cccc(O)c2[C@@H]1O	in-vitro biogenic
C[C@H]1CC(=O)C2=C(C1)[C@H](O)[C@H](O)[C@@]1(O)[C@H]2C(=O)c2cccc(O)c2[C@@H]1O	ZINC000031158962	09/05/12/560090512	NFQFDMJGZPLWGI-ROCRPXPDSA-N	-1	360.362	FC	0.0	0	Mild	ref	FCEARM	C[C@H]1CC(=O)C2=C(C1)[C@H](O)[C@H](O)[C@@]1(O)C2=C(O)c2cccc(O)c2[C@@H]1O	in-vitro biogenic
C[C@H](O)C(O)(C(=O)OCc1ccccc1NC(=O)CCC(=O)O)[C@H](C)O	ZINC000031160157	63/41/63/220634163	DNDACVRMGDHDQY-QWRGUYRKSA-N	-1	369.37	FC	0.026	0	Anodyne	ref	FCAARM	C[C@H](O)C(O)(C(=O)OCc1ccccc1NC(=O)CCC(=O)[O-])[C@H](C)O	in-vitro biogenic
CO[C@@H](/C=C/[C@@H](OC(C)=O)[C@H](C)OC(C)=O)[C@H](O)[C@@H]1CC=CC(=O)O1	ZINC000034361063	84/67/45/546846745	STNNWPKHRBGYMO-JNLGJOGOSA-N	0	356.371	FC	0.673	0	Anodyne	ref	FCABRN	CO[C@@H](/C=C/[C@@H](OC(C)=O)[C@H](C)OC(C)=O)[C@H](O)[C@@H]1CC=CC(=O)O1	in-vitro biogenic
CO[C@@H](/C=C/[C@@H](OC(C)=O)[C@@H](C)OC(C)=O)[C@H](O)[C@@H]1CC=CC(=O)O1	ZINC000034361064	86/07/34/209860734	STNNWPKHRBGYMO-JPOZSWFVSA-N	0	356.371	FC	0.673	0	Anodyne	ref	FCABRN	CO[C@@H](/C=C/[C@@H](OC(C)=O)[C@@H](C)OC(C)=O)[C@H](O)[C@@H]1CC=CC(=O)O1	in-vitro biogenic
CO[C@@H](/C=C/[C@H](OC(C)=O)[C@H](C)OC(C)=O)[C@H](O)[C@@H]1CC=CC(=O)O1	ZINC000034361065	75/61/09/220756109	STNNWPKHRBGYMO-QFHFQNGXSA-N	0	356.371	FC	0.673	0	Anodyne	ref	FCABRN	CO[C@@H](/C=C/[C@H](OC(C)=O)[C@H](C)OC(C)=O)[C@H](O)[C@@H]1CC=CC(=O)O1	in-vitro biogenic
CO[C@@H](/C=C/[C@H](OC(C)=O)[C@@H](C)OC(C)=O)[C@H](O)[C@@H]1CC=CC(=O)O1	ZINC000034361066	51/74/76/206517476	STNNWPKHRBGYMO-ATJGYBDASA-N	0	356.371	FC	0.673	0	Anodyne	ref	FCABRN	CO[C@@H](/C=C/[C@H](OC(C)=O)[C@@H](C)OC(C)=O)[C@H](O)[C@@H]1CC=CC(=O)O1	in-vitro biogenic
CC[C@@H](C)[C@H](O)[C@](C)(O)/C=C/C1=CC2=CC(=O)[C@@](C)(O)[C@H](O)[C@@H]2CO1	ZINC000035455839	39/60/33/522396033	ZMOXNUGOJSHBRR-UWYXPNJQSA-N	0	352.427	FC	0.852	0	Mild	ref	FCEBRN	CC[C@@H](C)[C@H](O)[C@](C)(O)/C=C/C1=CC2=CC(=O)[C@@](C)(O)[C@H](O)[C@@H]2CO1	in-vitro biogenic
CC[C@H](C)[C@H](O)[C@](C)(O)/C=C/C1=CC2=CC(=O)[C@@](C)(O)[C@H](O)[C@@H]2CO1	ZINC000035455843	00/04/53/522000453	ZMOXNUGOJSHBRR-UFUVICBPSA-N	0	352.427	FC	0.852	0	Mild	ref	FCEBRN	CC[C@H](C)[C@H](O)[C@](C)(O)/C=C/C1=CC2=CC(=O)[C@@](C)(O)[C@H](O)[C@@H]2CO1	in-vitro biogenic
CC[C@@H](C)[C@@H](O)[C@](C)(O)/C=C/C1=CC2=CC(=O)[C@@](C)(O)[C@H](O)[C@@H]2CO1	ZINC000035455849	32/55/25/522325525	ZMOXNUGOJSHBRR-PUUUUXGNSA-N	0	352.427	FC	0.852	0	Mild	ref	FCEBRN	CC[C@@H](C)[C@@H](O)[C@](C)(O)/C=C/C1=CC2=CC(=O)[C@@](C)(O)[C@H](O)[C@@H]2CO1	in-vitro biogenic
CC[C@H](C)[C@@H](O)[C@](C)(O)/C=C/C1=CC2=CC(=O)[C@@](C)(O)[C@H](O)[C@@H]2CO1	ZINC000035455854	87/82/41/521878241	ZMOXNUGOJSHBRR-JVJFMLDRSA-N	0	352.427	FC	0.852	0	Mild	ref	FCEBRN	CC[C@H](C)[C@@H](O)[C@](C)(O)/C=C/C1=CC2=CC(=O)[C@@](C)(O)[C@H](O)[C@@H]2CO1	in-vitro biogenic
CC/C=C\C[C@@H]1[C@H](CC(=O)O)CC[C@@H]1O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O	ZINC000035465098	79/73/38/487797338	GJZJZRWFRZFTEE-HEBRMLFTSA-N	-1	374.43	FC	0.029	0	Anodyne	ref	FCABRM	CC/C=C\C[C@@H]1[C@H](CC(=O)[O-])CC[C@@H]1O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O	in-vitro biogenic
CC/C=C\C[C@H]1[C@H](CC(=O)O)CC[C@@H]1O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O	ZINC000035465101	79/70/43/487797043	GJZJZRWFRZFTEE-XDSGERIXSA-N	-1	374.43	FC	0.029	0	Anodyne	ref	FCABRM	CC/C=C\C[C@H]1[C@H](CC(=O)[O-])CC[C@@H]1O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O	in-vitro biogenic
CC/C=C\C[C@H]1[C@@H](O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)CC[C@@H]1CC(=O)O	ZINC000035465104	28/48/17/204284817	GJZJZRWFRZFTEE-NOUXHJAXSA-N	-1	374.43	FC	0.029	0	Anodyne	ref	FCABRM	CC/C=C\C[C@H]1[C@@H](O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)CC[C@@H]1CC(=O)[O-]	in-vitro biogenic
CC/C=C\C[C@@H]1[C@@H](O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)CC[C@@H]1CC(=O)O	ZINC000035465107	28/50/43/204285043	GJZJZRWFRZFTEE-DAIOTASYSA-N	-1	374.43	FC	0.029	0	Anodyne	ref	FCABRM	CC/C=C\C[C@@H]1[C@@H](O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)CC[C@@H]1CC(=O)[O-]	in-vitro biogenic
C[C@@H]1CC(=O)[C@H]2[C@@]3(O)C(=O)c4cccc(O)c4[C@@H]4O[C@@]43[C@@H](O)C[C@]2(O)C1	ZINC000036378599	28/27/96/207282796	FXOBIDROVMXPBW-YZDSJOOFSA-N	-1	360.362	FC	0.241	3	Mild	high	FCEBHM	C[C@@H]1CC(=O)[C@H]2[C@@]3(O)C(=O)c4cccc([O-])c4[C@@H]4O[C@@]43[C@@H](O)C[C@]2(O)C1	in-vitro biogenic
C[C@@H]1CC(=O)[C@H]2[C@@]3(O)C(=O)c4cccc(O)c4[C@@H]4O[C@@]43[C@@H](O)C[C@]2(O)C1	ZINC000036378599	28/27/88/207282788	FXOBIDROVMXPBW-YZDSJOOFSA-N	0	360.362	FC	0.241	0	Mild	ref	FCEBRN	C[C@@H]1CC(=O)[C@H]2[C@@]3(O)C(=O)c4cccc(O)c4[C@@H]4O[C@@]43[C@@H](O)C[C@]2(O)C1	in-vitro biogenic
C[C@H]1CC(=O)[C@H]2[C@@]3(O)C(=O)c4cccc(O)c4[C@@H]4O[C@@]43[C@@H](O)C[C@]2(O)C1	ZINC000036378600	80/16/73/487801673	FXOBIDROVMXPBW-JZWDCWHVSA-N	-1	360.362	FC	0.241	3	Mild	high	FCEBHM	C[C@H]1CC(=O)[C@H]2[C@@]3(O)C(=O)c4cccc([O-])c4[C@@H]4O[C@@]43[C@@H](O)C[C@]2(O)C1	in-vitro biogenic
C[C@H]1CC(=O)[C@H]2[C@@]3(O)C(=O)c4cccc(O)c4[C@@H]4O[C@@]43[C@@H](O)C[C@]2(O)C1	ZINC000036378600	80/16/67/487801667	FXOBIDROVMXPBW-JZWDCWHVSA-N	0	360.362	FC	0.241	0	Mild	ref	FCEBRN	C[C@H]1CC(=O)[C@H]2[C@@]3(O)C(=O)c4cccc(O)c4[C@@H]4O[C@@]43[C@@H](O)C[C@]2(O)C1	in-vitro biogenic
C[C@@H]1CC(=O)[C@@H]2[C@@]3(O)C(=O)c4cccc(O)c4[C@@H]4O[C@@]43[C@@H](O)C[C@]2(O)C1	ZINC000036378601	28/30/95/207283095	FXOBIDROVMXPBW-CXDCXUOBSA-N	-1	360.362	FC	0.241	3	Mild	high	FCEBHM	C[C@@H]1CC(=O)[C@@H]2[C@@]3(O)C(=O)c4cccc([O-])c4[C@@H]4O[C@@]43[C@@H](O)C[C@]2(O)C1	in-vitro biogenic
C[C@@H]1CC(=O)[C@@H]2[C@@]3(O)C(=O)c4cccc(O)c4[C@@H]4O[C@@]43[C@@H](O)C[C@]2(O)C1	ZINC000036378601	28/30/93/207283093	FXOBIDROVMXPBW-CXDCXUOBSA-N	0	360.362	FC	0.241	0	Mild	ref	FCEBRN	C[C@@H]1CC(=O)[C@@H]2[C@@]3(O)C(=O)c4cccc(O)c4[C@@H]4O[C@@]43[C@@H](O)C[C@]2(O)C1	in-vitro biogenic
C[C@H]1CC(=O)[C@@H]2[C@@]3(O)C(=O)c4cccc(O)c4[C@@H]4O[C@@]43[C@@H](O)C[C@]2(O)C1	ZINC000036378602	80/16/53/487801653	FXOBIDROVMXPBW-CGHXROHNSA-N	-1	360.362	FC	0.241	3	Mild	high	FCEBHM	C[C@H]1CC(=O)[C@@H]2[C@@]3(O)C(=O)c4cccc([O-])c4[C@@H]4O[C@@]43[C@@H](O)C[C@]2(O)C1	in-vitro biogenic
C[C@H]1CC(=O)[C@@H]2[C@@]3(O)C(=O)c4cccc(O)c4[C@@H]4O[C@@]43[C@@H](O)C[C@]2(O)C1	ZINC000036378602	80/16/43/487801643	FXOBIDROVMXPBW-CGHXROHNSA-N	0	360.362	FC	0.241	0	Mild	ref	FCEBRN	C[C@H]1CC(=O)[C@@H]2[C@@]3(O)C(=O)c4cccc(O)c4[C@@H]4O[C@@]43[C@@H](O)C[C@]2(O)C1	in-vitro biogenic
CC1=C(CC[C@@H](C)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(C)(C)C[C@H](O)C1	ZINC000038289022	80/61/88/487806188	QOLJILMTPKQQQA-DGJKUZGGSA-N	0	374.474	FC	0.469	0	Anodyne	ref	FCAARN	CC1=C(CC[C@@H](C)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(C)(C)C[C@H](O)C1	in-vitro biogenic
CC(=O)/C=C/[C@@H]1[C@H](C)C[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC1(C)C	ZINC000038544245	80/71/86/487807186	NSDJVCFZKFOLGV-HCVOOVNWSA-N	0	372.458	FC	0.389	0	Mild	ref	FCEARN	CC(=O)/C=C/[C@@H]1[C@H](C)C[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC1(C)C	in-vitro biogenic
CC1=C(CC[C@@H](C)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(C)(C)C[C@@H](O)C1	ZINC000049181271	02/12/39/221021239	QOLJILMTPKQQQA-JGMJVPOWSA-N	0	374.474	FC	0.469	0	Anodyne	ref	FCAARN	CC1=C(CC[C@@H](C)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(C)(C)C[C@@H](O)C1	in-vitro biogenic
CC1=C(CC[C@H](C)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(C)(C)C[C@H](O)C1	ZINC000049181274	08/59/39/206085939	QOLJILMTPKQQQA-AHDKKFSPSA-N	0	374.474	FC	0.469	0	Anodyne	ref	FCAARN	CC1=C(CC[C@H](C)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(C)(C)C[C@H](O)C1	in-vitro biogenic
CC1=C(CC[C@H](C)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(C)(C)C[C@@H](O)C1	ZINC000049181277	08/72/91/206087291	QOLJILMTPKQQQA-NBVSPMLASA-N	0	374.474	FC	0.469	0	Anodyne	ref	FCAARN	CC1=C(CC[C@H](C)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(C)(C)C[C@@H](O)C1	in-vitro biogenic
CC1=C(CC[C@@H](C)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(C)(C)CCC1=O	ZINC000049181280	08/66/79/206086679	MRTYYJWDYPABSE-MRFNCXEPSA-N	0	372.458	FC	0.677	0	Mild	ref	FCEARN	CC1=C(CC[C@@H](C)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(C)(C)CCC1=O	in-vitro biogenic
CC1=C(CC[C@H](C)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(C)(C)CCC1=O	ZINC000049181283	33/40/66/209334066	MRTYYJWDYPABSE-IUDADELYSA-N	0	372.458	FC	0.677	0	Mild	ref	FCEARN	CC1=C(CC[C@H](C)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(C)(C)CCC1=O	in-vitro biogenic
C[C@H](O)C(O)(C(=O)OCc1ccccc1NC(=O)CCC(=O)O)[C@@H](C)O	ZINC000049181835	02/12/46/221021246	DNDACVRMGDHDQY-DNJLBHFNSA-N	-1	369.37	FC	0.026	0	Anodyne	ref	FCABRM	C[C@H](O)C(O)(C(=O)OCc1ccccc1NC(=O)CCC(=O)[O-])[C@@H](C)O	in-vitro biogenic
C[C@@H](O)C(O)(C(=O)OCc1ccccc1NC(=O)CCC(=O)O)[C@@H](C)O	ZINC000049181838	33/47/32/209334732	DNDACVRMGDHDQY-GHMZBOCLSA-N	-1	369.37	FC	0.026	0	Anodyne	ref	FCAARM	C[C@@H](O)C(O)(C(=O)OCc1ccccc1NC(=O)CCC(=O)[O-])[C@@H](C)O	in-vitro biogenic
CC(=O)N1c2ccccc2[C@]2(O)C[C@@H]3C(=O)N[C@@H](CC(C)C)C(=O)N3[C@H]12	ZINC000072107870	37/77/34/488377734	IQSAULADRNRYOT-ARKSPBFVSA-N	0	357.41	FC	0.712	0	Anodyne	ref	FCAARN	CC(=O)N1c2ccccc2[C@]2(O)C[C@@H]3C(=O)N[C@@H](CC(C)C)C(=O)N3[C@H]12	in-vitro biogenic
CC(=O)/C=C/[C@@H]1[C@@H](C)C[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC1(C)C	ZINC000072320112	03/13/43/205031343	NSDJVCFZKFOLGV-VHQILSGPSA-N	0	372.458	FC	0.389	0	Mild	ref	FCEARN	CC(=O)/C=C/[C@@H]1[C@@H](C)C[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC1(C)C	in-vitro biogenic
CC(=O)/C=C/[C@@H]1[C@H](C)C[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC1(C)C	ZINC000072320113	37/95/81/488379581	NSDJVCFZKFOLGV-FANQOARTSA-N	0	372.458	FC	0.389	0	Mild	ref	FCEARN	CC(=O)/C=C/[C@@H]1[C@H](C)C[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC1(C)C	in-vitro biogenic
COc1cc([C@H](CC(C)C)NC(=O)[C@H](O)C[C@H](N)C(=O)O)oc(=O)c1	ZINC000072320582	37/96/83/488379683	KPJWCCNQYSXELE-SDDRHHMPSA-N	-1	356.375	FC	0.015	3	Anodyne	high	FCABHM	COc1cc([C@H](CC(C)C)NC(=O)[C@H](O)C[C@H](N)C(=O)[O-])oc(=O)c1	in-vitro biogenic
COc1cc([C@H](CC(C)C)NC(=O)[C@H](O)C[C@H](N)C(=O)O)oc(=O)c1	ZINC000072320582	37/96/82/488379682	KPJWCCNQYSXELE-SDDRHHMPSA-N	0	356.375	FC	0.015	0	Anodyne	ref	FCABRN	COc1cc([C@H](CC(C)C)NC(=O)[C@H](O)C[C@H]([NH3+])C(=O)[O-])oc(=O)c1	in-vitro biogenic
COc1cc([C@H](CC(C)C)NC(=O)[C@@H](O)C[C@H](N)C(=O)O)oc(=O)c1	ZINC000072320584	37/96/27/488379627	KPJWCCNQYSXELE-SRVKXCTJSA-N	-1	356.375	FC	0.015	3	Anodyne	high	FCABHM	COc1cc([C@H](CC(C)C)NC(=O)[C@@H](O)C[C@H](N)C(=O)[O-])oc(=O)c1	in-vitro biogenic
COc1cc([C@H](CC(C)C)NC(=O)[C@@H](O)C[C@H](N)C(=O)O)oc(=O)c1	ZINC000072320584	37/96/26/488379626	KPJWCCNQYSXELE-SRVKXCTJSA-N	0	356.375	FC	0.015	0	Anodyne	ref	FCABRN	COc1cc([C@H](CC(C)C)NC(=O)[C@@H](O)C[C@H]([NH3+])C(=O)[O-])oc(=O)c1	in-vitro biogenic
CC(=O)N1c2ccccc2[C@]2(O)C[C@@H]3C(=O)N[C@H](CC(C)C)C(=O)N3[C@@H]12	ZINC000096295987	49/07/38/488490738	IQSAULADRNRYOT-SVYNMNNPSA-N	0	357.41	FC	0.712	0	Anodyne	ref	FCABRN	CC(=O)N1c2ccccc2[C@]2(O)C[C@@H]3C(=O)N[C@H](CC(C)C)C(=O)N3[C@@H]12	in-vitro biogenic
CC(=O)N1c2ccccc2[C@]2(O)C[C@@H]3C(=O)N[C@@H](CC(C)C)C(=O)N3[C@@H]12	ZINC000096295988	54/24/80/206542480	IQSAULADRNRYOT-LLBUTXAOSA-N	0	357.41	FC	0.712	0	Anodyne	ref	FCABRN	CC(=O)N1c2ccccc2[C@]2(O)C[C@@H]3C(=O)N[C@@H](CC(C)C)C(=O)N3[C@@H]12	in-vitro biogenic
CC(=O)/C=C/[C@@H]1[C@@H](C)C[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC1(C)C	ZINC000100064544	23/45/75/222234575	NSDJVCFZKFOLGV-LNJFFERGSA-N	0	372.458	FC	0.389	0	Mild	ref	FCEARN	CC(=O)/C=C/[C@@H]1[C@@H](C)C[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC1(C)C	in-vitro biogenic
CO[C@H](/C=C/[C@H](OC(C)=O)[C@H](C)OC(C)=O)[C@H](O)[C@@H]1CC=CC(=O)O1	ZINC000105154068	36/53/61/222365361	STNNWPKHRBGYMO-RWCKYSFHSA-N	0	356.371	FC	0.673	0	Anodyne	ref	FCAARN	CO[C@H](/C=C/[C@H](OC(C)=O)[C@H](C)OC(C)=O)[C@H](O)[C@@H]1CC=CC(=O)O1	in-vitro biogenic
CO[C@H](/C=C/[C@H](OC(C)=O)[C@H](C)OC(C)=O)[C@@H](O)[C@@H]1CC=CC(=O)O1	ZINC000105154076	50/77/24/488507724	STNNWPKHRBGYMO-PVFDNGFESA-N	0	356.371	FC	0.673	0	Anodyne	ref	FCAARN	CO[C@H](/C=C/[C@H](OC(C)=O)[C@H](C)OC(C)=O)[C@@H](O)[C@@H]1CC=CC(=O)O1	in-vitro biogenic
CC(=O)N1c2ccccc2[C@]2(O)C[C@@H]3C(=O)N[C@H](CC(C)C)C(=O)N3[C@H]12	ZINC000107428776	39/49/95/222394995	IQSAULADRNRYOT-OYYCAODRSA-N	0	357.41	FC	0.712	0	Anodyne	ref	FCAARN	CC(=O)N1c2ccccc2[C@]2(O)C[C@@H]3C(=O)N[C@H](CC(C)C)C(=O)N3[C@H]12	in-vitro biogenic
CC[C@@H](C)C(=O)OC[C@H]1O[C@@H](Oc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O	ZINC000142491991	70/17/42/290701742	NHVGUAJCULYBFP-VVJBETFHSA-N	0	356.371	FC	0.168	0	Anodyne	ref	FCAARN	CC[C@@H](C)C(=O)OC[C@H]1O[C@@H](Oc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O	in-vitro biogenic
CC[C@H](C)C(=O)OC[C@H]1O[C@@H](Oc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O	ZINC000142492210	70/23/60/290702360	NHVGUAJCULYBFP-WLMXIRCBSA-N	0	356.371	FC	0.168	0	Anodyne	ref	FCAARN	CC[C@H](C)C(=O)OC[C@H]1O[C@@H](Oc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O	in-vitro biogenic
CC[C@H](C)[C@H](O)[C@](C)(O)/C=C/C1=CC2=CC(=O)[C@](C)(O)[C@H](O)[C@H]2CO1	ZINC000143447957	99/96/92/521999692	ZMOXNUGOJSHBRR-VCFWTGMJSA-N	0	352.427	FC	0.852	0	Mild	ref	FCEARN	CC[C@H](C)[C@H](O)[C@](C)(O)/C=C/C1=CC2=CC(=O)[C@](C)(O)[C@H](O)[C@H]2CO1	in-vitro biogenic
COC(=O)C[C@@H]1C[C@]2(C(=O)c3c(O)cccc3[C@@]2(O)C(=O)OC)[C@@H](C)O1	ZINC000230105992	53/17/06/206531706	FIOXBLMFCQXRMK-UBVDWCKXSA-N	-1	364.35	FC	0.676	3	Anodyne	high	FCABHM	COC(=O)C[C@@H]1C[C@]2(C(=O)c3c([O-])cccc3[C@@]2(O)C(=O)OC)[C@@H](C)O1	in-vitro biogenic
COC(=O)C[C@@H]1C[C@]2(C(=O)c3c(O)cccc3[C@@]2(O)C(=O)OC)[C@@H](C)O1	ZINC000230105992	53/16/98/206531698	FIOXBLMFCQXRMK-UBVDWCKXSA-N	0	364.35	FC	0.676	0	Anodyne	ref	FCABRN	COC(=O)C[C@@H]1C[C@]2(C(=O)c3c(O)cccc3[C@@]2(O)C(=O)OC)[C@@H](C)O1	in-vitro biogenic
COc1cc([C@H](CC(C)C)NC(=O)[C@@H](O)C[C@@H](N)C(=O)O)oc(=O)c1	ZINC000230107217	45/23/18/488452318	KPJWCCNQYSXELE-WOPDTQHZSA-N	-1	356.375	FC	0.015	3	Anodyne	high	FCABHM	COc1cc([C@H](CC(C)C)NC(=O)[C@@H](O)C[C@@H](N)C(=O)[O-])oc(=O)c1	in-vitro biogenic
COc1cc([C@H](CC(C)C)NC(=O)[C@@H](O)C[C@@H](N)C(=O)O)oc(=O)c1	ZINC000230107217	45/23/16/488452316	KPJWCCNQYSXELE-WOPDTQHZSA-N	0	356.375	FC	0.015	0	Anodyne	ref	FCABRN	COc1cc([C@H](CC(C)C)NC(=O)[C@@H](O)C[C@@H]([NH3+])C(=O)[O-])oc(=O)c1	in-vitro biogenic
COc1cc([C@H](CC(C)C)NC(=O)[C@H](O)C[C@@H](N)C(=O)O)oc(=O)c1	ZINC000230107227	45/25/46/488452546	KPJWCCNQYSXELE-GRYCIOLGSA-N	-1	356.375	FC	0.015	3	Anodyne	high	FCABHM	COc1cc([C@H](CC(C)C)NC(=O)[C@H](O)C[C@@H](N)C(=O)[O-])oc(=O)c1	in-vitro biogenic
COc1cc([C@H](CC(C)C)NC(=O)[C@H](O)C[C@@H](N)C(=O)O)oc(=O)c1	ZINC000230107227	45/25/44/488452544	KPJWCCNQYSXELE-GRYCIOLGSA-N	0	356.375	FC	0.015	0	Anodyne	ref	FCABRN	COc1cc([C@H](CC(C)C)NC(=O)[C@H](O)C[C@@H]([NH3+])C(=O)[O-])oc(=O)c1	in-vitro biogenic
CC(C)=CCc1cc(C(=O)O)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	ZINC000238758596	20/88/95/210208895	ZTHSABILDCCHJR-XLKGFZLASA-N	-1	368.382	FC	0.072	0	Anodyne	ref	FCABRM	CC(C)=CCc1cc(C(=O)[O-])ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	in-vitro biogenic
COC(=O)C[C@@H]1C[C@]2(C(=O)c3c(O)cccc3[C@@]2(O)C(=O)OC)[C@H](C)O1	ZINC000248000585	30/65/91/523306591	FIOXBLMFCQXRMK-AMXUJOTJSA-N	-1	364.35	FC	0.676	3	Anodyne	high	FCABHM	COC(=O)C[C@@H]1C[C@]2(C(=O)c3c([O-])cccc3[C@@]2(O)C(=O)OC)[C@H](C)O1	in-vitro biogenic
COC(=O)C[C@@H]1C[C@]2(C(=O)c3c(O)cccc3[C@@]2(O)C(=O)OC)[C@H](C)O1	ZINC000248000585	30/65/79/523306579	FIOXBLMFCQXRMK-AMXUJOTJSA-N	0	364.35	FC	0.676	0	Anodyne	ref	FCABRN	COC(=O)C[C@@H]1C[C@]2(C(=O)c3c(O)cccc3[C@@]2(O)C(=O)OC)[C@H](C)O1	in-vitro biogenic
COC(=O)C[C@@H]1C[C@]2(C(=O)c3c(O)cccc3[C@]2(O)C(=O)OC)[C@@H](C)O1	ZINC000248000590	30/85/99/523308599	FIOXBLMFCQXRMK-BLPKXUGASA-N	-1	364.35	FC	0.676	3	Anodyne	high	FCABHM	COC(=O)C[C@@H]1C[C@]2(C(=O)c3c([O-])cccc3[C@]2(O)C(=O)OC)[C@@H](C)O1	in-vitro biogenic
COC(=O)C[C@@H]1C[C@]2(C(=O)c3c(O)cccc3[C@]2(O)C(=O)OC)[C@@H](C)O1	ZINC000248000590	30/85/91/523308591	FIOXBLMFCQXRMK-BLPKXUGASA-N	0	364.35	FC	0.676	0	Anodyne	ref	FCABRN	COC(=O)C[C@@H]1C[C@]2(C(=O)c3c(O)cccc3[C@]2(O)C(=O)OC)[C@@H](C)O1	in-vitro biogenic
COC(=O)C[C@@H]1C[C@]2(C(=O)c3c(O)cccc3[C@]2(O)C(=O)OC)[C@H](C)O1	ZINC000248000594	30/81/93/523308193	FIOXBLMFCQXRMK-CISCBKHESA-N	-1	364.35	FC	0.676	3	Anodyne	high	FCABHM	COC(=O)C[C@@H]1C[C@]2(C(=O)c3c([O-])cccc3[C@]2(O)C(=O)OC)[C@H](C)O1	in-vitro biogenic
COC(=O)C[C@@H]1C[C@]2(C(=O)c3c(O)cccc3[C@]2(O)C(=O)OC)[C@H](C)O1	ZINC000248000594	30/81/86/523308186	FIOXBLMFCQXRMK-CISCBKHESA-N	0	364.35	FC	0.676	0	Anodyne	ref	FCABRN	COC(=O)C[C@@H]1C[C@]2(C(=O)c3c(O)cccc3[C@]2(O)C(=O)OC)[C@H](C)O1	in-vitro biogenic
C[C@H](O)[C@@](O)(C(=O)OCc1ccccc1NC(=O)CCC(=O)O)[C@@H](C)O	ZINC000248265574	86/41/81/525864181	DNDACVRMGDHDQY-YQYWCBKUSA-N	-1	369.37	FC	0.026	0	Anodyne	ref	FCABRM	C[C@H](O)[C@@](O)(C(=O)OCc1ccccc1NC(=O)CCC(=O)[O-])[C@@H](C)O	in-vitro biogenic
C[C@@H]1CC(=O)[C@@H]2[C@](O)(C1)C[C@H](O)[C@]13O[C@H]1c1c(O)cccc1C(=O)[C@@]23O	ZINC000253389067	21/86/00/526218600	FXOBIDROVMXPBW-CVTRTPRWSA-N	-1	360.362	FC	0.241	3	Mild	high	FCEBHM	C[C@@H]1CC(=O)[C@@H]2[C@](O)(C1)C[C@H](O)[C@]13O[C@H]1c1c([O-])cccc1C(=O)[C@@]23O	in-vitro biogenic
C[C@@H]1CC(=O)[C@@H]2[C@](O)(C1)C[C@H](O)[C@]13O[C@H]1c1c(O)cccc1C(=O)[C@@]23O	ZINC000253389067	21/85/97/526218597	FXOBIDROVMXPBW-CVTRTPRWSA-N	0	360.362	FC	0.241	0	Mild	ref	FCEBRN	C[C@@H]1CC(=O)[C@@H]2[C@](O)(C1)C[C@H](O)[C@]13O[C@H]1c1c(O)cccc1C(=O)[C@@]23O	in-vitro biogenic
C[C@@H]1CC(=O)[C@@H]2[C@](O)(C1)C[C@H](O)[C@]13O[C@H]1c1c(O)cccc1C(=O)[C@]23O	ZINC000253389069	21/83/30/526218330	FXOBIDROVMXPBW-NJMZOHMASA-N	-1	360.362	FC	0.241	3	Mild	high	FCEBHM	C[C@@H]1CC(=O)[C@@H]2[C@](O)(C1)C[C@H](O)[C@]13O[C@H]1c1c([O-])cccc1C(=O)[C@]23O	in-vitro biogenic
C[C@@H]1CC(=O)[C@@H]2[C@](O)(C1)C[C@H](O)[C@]13O[C@H]1c1c(O)cccc1C(=O)[C@]23O	ZINC000253389069	21/83/21/526218321	FXOBIDROVMXPBW-NJMZOHMASA-N	0	360.362	FC	0.241	0	Mild	ref	FCEBRN	C[C@@H]1CC(=O)[C@@H]2[C@](O)(C1)C[C@H](O)[C@]13O[C@H]1c1c(O)cccc1C(=O)[C@]23O	in-vitro biogenic
CO[C@H](/C=C/[C@H](OC(C)=O)[C@H](C)OC(C)=O)[C@@H](O)[C@H]1CC=CC(=O)O1	ZINC000253389610	81/86/78/523818678	STNNWPKHRBGYMO-BTICWKEHSA-N	0	356.371	FC	0.673	0	Anodyne	ref	FCABRN	CO[C@H](/C=C/[C@H](OC(C)=O)[C@H](C)OC(C)=O)[C@@H](O)[C@H]1CC=CC(=O)O1	in-vitro biogenic
CO[C@H](/C=C/[C@H](OC(C)=O)[C@H](C)OC(C)=O)[C@H](O)[C@H]1CC=CC(=O)O1	ZINC000253389611	81/86/18/523818618	STNNWPKHRBGYMO-MDLVIJNISA-N	0	356.371	FC	0.673	0	Anodyne	ref	FCABRN	CO[C@H](/C=C/[C@H](OC(C)=O)[C@H](C)OC(C)=O)[C@H](O)[C@H]1CC=CC(=O)O1	in-vitro biogenic
CC[C@H](C)[C@H](O)[C@](C)(O)/C=C/C1=CC2=CC(=O)[C@](C)(O)[C@H](O)[C@@H]2CO1	ZINC000253389728	99/94/87/521999487	ZMOXNUGOJSHBRR-BRFZFLHBSA-N	0	352.427	FC	0.852	0	Mild	ref	FCEBRN	CC[C@H](C)[C@H](O)[C@](C)(O)/C=C/C1=CC2=CC(=O)[C@](C)(O)[C@H](O)[C@@H]2CO1	in-vitro biogenic
CC[C@H](C)[C@H](O)[C@](C)(O)/C=C/C1=CC2=CC(=O)[C@](C)(O)[C@@H](O)[C@@H]2CO1	ZINC000253389729	99/92/81/521999281	ZMOXNUGOJSHBRR-IDWRIYDKSA-N	0	352.427	FC	0.852	0	Mild	ref	FCEBRN	CC[C@H](C)[C@H](O)[C@](C)(O)/C=C/C1=CC2=CC(=O)[C@](C)(O)[C@@H](O)[C@@H]2CO1	in-vitro biogenic
CC[C@H](C)[C@H](O)[C@](C)(O)/C=C/C1=CC2=CC(=O)[C@](C)(O)[C@@H](O)[C@H]2CO1	ZINC000253389730	00/02/59/522000259	ZMOXNUGOJSHBRR-VUMDJQSXSA-N	0	352.427	FC	0.852	0	Mild	ref	FCEBRN	CC[C@H](C)[C@H](O)[C@](C)(O)/C=C/C1=CC2=CC(=O)[C@](C)(O)[C@@H](O)[C@H]2CO1	in-vitro biogenic
C=C(C)C(=O)O[C@H]1C[C@@](C)(O)C(=O)C[C@H](O)C(C)=C[C@H]2OC(=O)C(=C)[C@H]12	ZINC000253390551	58/62/66/518586266	JGWDBQRLOBLTHU-FJASSWDUSA-N	0	364.394	FC	0.993	0	Mild	ref	FCEBRN	C=C(C)C(=O)O[C@H]1C[C@@](C)(O)C(=O)C[C@H](O)C(C)=C[C@H]2OC(=O)C(=C)[C@H]12	in-vitro biogenic
C=C(C)C(=O)O[C@H]1C[C@@](C)(O)C(=O)C[C@@H](O)C(C)=C[C@H]2OC(=O)C(=C)[C@H]12	ZINC000253390552	58/75/75/518587575	JGWDBQRLOBLTHU-ORNNIOOMSA-N	0	364.394	FC	0.993	0	Mild	ref	FCEBRN	C=C(C)C(=O)O[C@H]1C[C@@](C)(O)C(=O)C[C@@H](O)C(C)=C[C@H]2OC(=O)C(=C)[C@H]12	in-vitro biogenic